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 -41:sc= 1.12 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 THR OG1 : rot 140:sc= 1.33 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.9 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.015) USER MOD Single : A 1 MET N :NH3+ 154:sc= 1.23 (180deg=1.15) USER MOD Single : A 2 GLN : amide:sc=-0.000867 X(o=-0.00087,f=-0.12) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -139:sc= 1.14 (180deg=-1.05!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 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) USER MOD Single : A 27 LYS NZ :NH3+ -140:sc= 0.813 (180deg=0.0727!) USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= 1.28 (180deg=0.715) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -116:sc= 0.366 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 41 GLN : amide:sc= 1.61 K(o=1.6,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.517 K(o=-0.52,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.299 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+ 178:sc= 0 (180deg=-0.00595) USER MOD Single : A 65 SER OG : rot 93:sc= 1.08 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.093) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.570 -6.547 -4.546 1.00 9.67 N ATOM 2 CA MET A 1 11.458 -7.007 -3.153 1.00 10.38 C ATOM 3 C MET A 1 10.039 -7.461 -2.843 1.00 9.62 C ATOM 4 O MET A 1 9.012 -7.126 -3.455 1.00 9.62 O ATOM 5 CB MET A 1 12.044 -5.881 -2.279 1.00 13.77 C ATOM 6 CG MET A 1 11.232 -4.538 -2.172 1.00 16.29 C ATOM 7 SD MET A 1 12.322 -3.227 -1.490 1.00 17.17 S ATOM 8 CE MET A 1 10.937 -2.208 -1.049 1.00 16.11 C ATOM 0 H1 MET A 1 12.350 -5.863 -4.624 1.00 9.67 H new ATOM 0 H2 MET A 1 11.759 -7.360 -5.166 1.00 9.67 H new ATOM 0 H3 MET A 1 10.680 -6.092 -4.834 1.00 9.67 H new ATOM 0 HA MET A 1 12.034 -7.908 -2.940 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.176 -6.274 -1.271 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.037 -5.643 -2.661 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.860 -4.244 -3.154 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.362 -4.675 -1.530 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.296 -1.258 -0.652 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.325 -2.024 -1.932 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.339 -2.715 -0.292 1.00 16.11 H new ATOM 20 N GLN A 2 9.943 -8.299 -1.805 1.00 9.27 N ATOM 21 CA GLN A 2 8.776 -8.972 -1.350 1.00 9.07 C ATOM 22 C GLN A 2 8.239 -8.319 -0.068 1.00 8.72 C ATOM 23 O GLN A 2 8.995 -8.182 0.924 1.00 8.22 O ATOM 24 CB GLN A 2 9.142 -10.455 -1.046 1.00 14.46 C ATOM 25 CG GLN A 2 7.870 -11.343 -1.160 1.00 17.01 C ATOM 26 CD GLN A 2 8.044 -12.820 -0.928 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.281 -13.507 -0.232 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.134 -13.456 -1.518 1.00 19.49 N ATOM 0 H GLN A 2 10.757 -8.525 -1.233 1.00 9.27 H new ATOM 0 HA GLN A 2 8.009 -8.914 -2.122 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.903 -10.802 -1.744 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.566 -10.537 -0.045 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.133 -10.973 -0.447 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.448 -11.204 -2.155 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.783 -12.923 -2.097 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.283 -14.454 -1.371 1.00 19.49 H new ATOM 37 N ILE A 3 6.947 -7.836 -0.081 1.00 5.87 N ATOM 38 CA ILE A 3 6.328 -7.171 1.057 1.00 5.07 C ATOM 39 C ILE A 3 4.972 -7.717 1.314 1.00 4.01 C ATOM 40 O ILE A 3 4.401 -8.472 0.522 1.00 4.61 O ATOM 41 CB ILE A 3 6.141 -5.646 0.843 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.287 -5.289 -0.352 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.502 -4.919 0.820 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.686 -3.878 -0.293 1.00 10.83 C ATOM 0 H ILE A 3 6.333 -7.912 -0.892 1.00 5.87 H new ATOM 0 HA ILE A 3 7.008 -7.348 1.890 1.00 5.07 H new ATOM 0 HB ILE A 3 5.576 -5.290 1.705 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.890 -5.378 -1.256 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.477 -6.014 -0.436 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.342 -3.852 0.669 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.015 -5.078 1.768 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.111 -5.313 0.007 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.088 -3.700 -1.186 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.054 -3.788 0.591 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.489 -3.142 -0.241 1.00 10.83 H new ATOM 56 N PHE A 4 4.468 -7.366 2.507 1.00 4.55 N ATOM 57 CA PHE A 4 3.236 -7.942 3.028 1.00 4.68 C ATOM 58 C PHE A 4 2.365 -6.781 3.553 1.00 5.30 C ATOM 59 O PHE A 4 2.790 -6.002 4.397 1.00 5.58 O ATOM 60 CB PHE A 4 3.535 -8.919 4.191 1.00 4.83 C ATOM 61 CG PHE A 4 4.745 -9.743 4.013 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.751 -10.653 2.949 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.892 -9.609 4.860 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.919 -11.326 2.687 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.045 -10.348 4.622 1.00 10.61 C ATOM 66 CZ PHE A 4 7.106 -11.155 3.425 1.00 8.90 C ATOM 0 H PHE A 4 4.903 -6.682 3.126 1.00 4.55 H new ATOM 0 HA PHE A 4 2.726 -8.497 2.240 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.636 -8.345 5.112 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.678 -9.580 4.320 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.866 -10.820 2.354 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.861 -8.925 5.695 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.928 -12.028 1.866 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.874 -10.320 5.314 1.00 10.61 H new ATOM 0 HZ PHE A 4 8.031 -11.612 3.107 1.00 8.90 H new ATOM 76 N VAL A 5 1.133 -6.676 3.149 1.00 4.44 N ATOM 77 CA VAL A 5 0.167 -5.604 3.436 1.00 3.87 C ATOM 78 C VAL A 5 -0.951 -6.190 4.310 1.00 4.93 C ATOM 79 O VAL A 5 -1.778 -6.956 3.746 1.00 6.84 O ATOM 80 CB VAL A 5 -0.440 -4.994 2.096 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.237 -3.738 2.515 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.723 -4.673 1.220 1.00 9.13 C ATOM 0 H VAL A 5 0.721 -7.395 2.554 1.00 4.44 H new ATOM 0 HA VAL A 5 0.673 -4.792 3.958 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.108 -5.662 1.552 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.678 -3.276 1.632 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.028 -4.024 3.209 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.568 -3.028 3.000 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.366 -4.249 0.282 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.368 -3.952 1.722 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.287 -5.583 1.016 1.00 9.13 H new ATOM 92 N LYS A 6 -0.994 -5.868 5.582 1.00 6.04 N ATOM 93 CA LYS A 6 -2.022 -6.255 6.480 1.00 6.12 C ATOM 94 C LYS A 6 -3.328 -5.646 6.124 1.00 6.57 C ATOM 95 O LYS A 6 -3.287 -4.481 5.765 1.00 5.76 O ATOM 96 CB LYS A 6 -1.696 -5.986 7.954 1.00 7.45 C ATOM 97 CG LYS A 6 -0.517 -6.827 8.463 1.00 11.12 C ATOM 98 CD LYS A 6 -0.330 -6.494 9.976 1.00 14.54 C ATOM 99 CE LYS A 6 0.647 -7.321 10.782 1.00 18.84 C ATOM 100 NZ LYS A 6 0.318 -8.771 10.946 1.00 20.55 N ATOM 0 H LYS A 6 -0.271 -5.301 6.026 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.094 -7.337 6.368 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.465 -4.929 8.084 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.576 -6.197 8.561 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.715 -7.890 8.325 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.390 -6.596 7.904 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.022 -5.451 10.050 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.306 -6.573 10.456 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.627 -7.245 10.312 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.733 -6.877 11.774 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.057 -9.232 11.514 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.599 -8.867 11.427 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.267 -9.223 10.011 1.00 20.55 H new ATOM 114 N THR A 7 -4.454 -6.374 6.231 1.00 7.41 N ATOM 115 CA THR A 7 -5.724 -5.770 6.061 1.00 7.48 C ATOM 116 C THR A 7 -6.417 -5.714 7.427 1.00 8.75 C ATOM 117 O THR A 7 -6.033 -6.467 8.334 1.00 8.58 O ATOM 118 CB THR A 7 -6.679 -6.426 5.009 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.406 -7.525 5.456 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.844 -6.938 3.824 1.00 9.17 C ATOM 0 H THR A 7 -4.478 -7.373 6.434 1.00 7.41 H new ATOM 0 HA THR A 7 -5.522 -4.782 5.647 1.00 7.48 H new ATOM 0 HB THR A 7 -7.387 -5.636 4.759 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.316 -7.484 5.095 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.502 -7.397 3.086 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.312 -6.104 3.367 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.125 -7.677 4.178 1.00 9.17 H new ATOM 128 N LEU A 8 -7.430 -4.766 7.577 1.00 9.84 N ATOM 129 CA LEU A 8 -8.412 -4.728 8.660 1.00 14.15 C ATOM 130 C LEU A 8 -9.637 -5.580 8.364 1.00 17.37 C ATOM 131 O LEU A 8 -10.737 -5.578 8.947 1.00 17.01 O ATOM 132 CB LEU A 8 -8.820 -3.227 9.100 1.00 16.63 C ATOM 133 CG LEU A 8 -9.360 -3.115 10.565 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.278 -3.202 11.665 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.110 -1.714 10.775 1.00 18.59 C ATOM 0 H LEU A 8 -7.556 -4.004 6.911 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.911 -5.172 9.520 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -7.949 -2.580 8.995 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.580 -2.853 8.414 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.024 -3.973 10.672 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.747 -3.115 12.645 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.763 -4.160 11.594 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.560 -2.393 11.533 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.481 -1.649 11.798 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.413 -0.897 10.589 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -10.947 -1.642 10.081 1.00 18.59 H new ATOM 147 N THR A 9 -9.502 -6.491 7.406 1.00 18.33 N ATOM 148 CA THR A 9 -10.560 -7.518 7.086 1.00 19.24 C ATOM 149 C THR A 9 -10.104 -8.929 7.459 1.00 19.48 C ATOM 150 O THR A 9 -10.657 -9.920 7.018 1.00 23.14 O ATOM 151 CB THR A 9 -11.095 -7.576 5.703 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.079 -7.803 4.701 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.761 -6.260 5.378 1.00 19.70 C ATOM 0 H THR A 9 -8.672 -6.562 6.817 1.00 18.33 H new ATOM 0 HA THR A 9 -11.384 -7.155 7.700 1.00 19.24 H new ATOM 0 HB THR A 9 -11.789 -8.416 5.677 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.495 -7.832 3.814 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.157 -6.294 4.363 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.576 -6.081 6.080 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.031 -5.454 5.456 1.00 19.70 H new ATOM 161 N GLY A 10 -9.045 -9.086 8.286 1.00 19.43 N ATOM 162 CA GLY A 10 -8.487 -10.355 8.622 1.00 18.74 C ATOM 163 C GLY A 10 -7.736 -11.122 7.506 1.00 17.62 C ATOM 164 O GLY A 10 -8.027 -12.270 7.163 1.00 19.74 O ATOM 0 H GLY A 10 -8.568 -8.302 8.731 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.797 -10.210 9.454 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.294 -10.992 8.984 1.00 18.74 H new ATOM 168 N LYS A 11 -6.694 -10.524 6.887 1.00 13.56 N ATOM 169 CA LYS A 11 -5.910 -11.120 5.856 1.00 11.91 C ATOM 170 C LYS A 11 -4.556 -10.389 5.801 1.00 10.18 C ATOM 171 O LYS A 11 -4.384 -9.305 6.349 1.00 9.10 O ATOM 172 CB LYS A 11 -6.554 -10.898 4.490 1.00 13.43 C ATOM 173 CG LYS A 11 -6.149 -11.881 3.316 1.00 16.69 C ATOM 174 CD LYS A 11 -6.958 -11.589 1.996 1.00 17.92 C ATOM 175 CE LYS A 11 -6.860 -12.779 0.976 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.790 -12.599 -0.163 1.00 21.93 N ATOM 0 H LYS A 11 -6.389 -9.579 7.122 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.815 -12.185 6.069 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.635 -10.954 4.616 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.322 -9.882 4.171 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.082 -11.786 3.116 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.324 -12.910 3.628 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.004 -11.408 2.243 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.578 -10.679 1.531 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.839 -12.857 0.604 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.085 -13.716 1.486 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.232 -13.511 -0.398 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.528 -11.913 0.096 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.264 -12.247 -0.988 1.00 21.93 H new ATOM 190 N THR A 12 -3.549 -10.914 5.073 1.00 9.63 N ATOM 191 CA THR A 12 -2.362 -10.225 4.665 1.00 9.85 C ATOM 192 C THR A 12 -2.203 -10.458 3.196 1.00 11.66 C ATOM 193 O THR A 12 -2.373 -11.559 2.728 1.00 12.33 O ATOM 194 CB THR A 12 -1.120 -10.658 5.346 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.235 -10.671 6.788 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.037 -9.676 5.066 1.00 9.63 C ATOM 0 H THR A 12 -3.567 -11.881 4.750 1.00 9.63 H new ATOM 0 HA THR A 12 -2.493 -9.177 4.933 1.00 9.85 H new ATOM 0 HB THR A 12 -0.917 -11.662 4.974 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.387 -10.966 7.181 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.879 -9.992 5.566 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.136 -9.622 3.991 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.332 -8.694 5.436 1.00 9.63 H new ATOM 204 N ILE A 13 -1.930 -9.400 2.465 1.00 10.42 N ATOM 205 CA ILE A 13 -1.627 -9.481 1.064 1.00 11.84 C ATOM 206 C ILE A 13 -0.089 -9.589 0.756 1.00 10.55 C ATOM 207 O ILE A 13 0.614 -8.678 1.079 1.00 11.92 O ATOM 208 CB ILE A 13 -2.195 -8.371 0.256 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.661 -8.116 0.687 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.168 -8.589 -1.239 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.290 -6.932 -0.042 1.00 16.46 C ATOM 0 H ILE A 13 -1.913 -8.450 2.837 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.113 -10.410 0.766 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.551 -7.514 0.453 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.253 -9.011 0.496 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.694 -7.935 1.761 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.604 -7.725 -1.741 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.137 -8.719 -1.569 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.743 -9.481 -1.487 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.317 -6.799 0.299 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.718 -6.029 0.169 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.285 -7.122 -1.115 1.00 16.46 H new ATOM 223 N THR A 14 0.436 -10.670 0.155 1.00 9.39 N ATOM 224 CA THR A 14 1.875 -10.598 -0.298 1.00 9.63 C ATOM 225 C THR A 14 2.062 -10.028 -1.719 1.00 11.20 C ATOM 226 O THR A 14 1.338 -10.378 -2.627 1.00 11.63 O ATOM 227 CB THR A 14 2.572 -11.917 -0.309 1.00 10.38 C ATOM 228 OG1 THR A 14 2.345 -12.555 0.941 1.00 16.30 O ATOM 229 CG2 THR A 14 4.150 -11.863 -0.449 1.00 11.66 C ATOM 0 H THR A 14 -0.050 -11.548 -0.028 1.00 9.39 H new ATOM 0 HA THR A 14 2.307 -9.931 0.448 1.00 9.63 H new ATOM 0 HB THR A 14 2.169 -12.430 -1.182 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.795 -13.425 0.951 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.550 -12.877 -0.446 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.416 -11.371 -1.385 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.571 -11.304 0.387 1.00 11.66 H new ATOM 237 N LEU A 15 3.086 -9.184 -1.892 1.00 8.29 N ATOM 238 CA LEU A 15 3.224 -8.395 -3.070 1.00 9.03 C ATOM 239 C LEU A 15 4.731 -8.198 -3.401 1.00 8.59 C ATOM 240 O LEU A 15 5.613 -8.156 -2.565 1.00 7.79 O ATOM 241 CB LEU A 15 2.691 -6.904 -2.901 1.00 11.08 C ATOM 242 CG LEU A 15 1.185 -6.631 -2.770 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.057 -5.169 -2.416 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.308 -6.950 -3.979 1.00 15.27 C ATOM 0 H LEU A 15 3.829 -9.046 -1.207 1.00 8.29 H new ATOM 0 HA LEU A 15 2.657 -8.932 -3.830 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.173 -6.487 -2.017 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.049 -6.334 -3.758 1.00 11.08 H new ATOM 0 HG LEU A 15 0.806 -7.317 -2.013 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.003 -4.912 -2.309 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.575 -4.975 -1.477 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.500 -4.563 -3.207 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.730 -6.710 -3.749 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.637 -6.358 -4.833 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.391 -8.010 -4.219 1.00 15.27 H new ATOM 256 N GLU A 16 4.970 -8.092 -4.672 1.00 11.04 N ATOM 257 CA GLU A 16 6.286 -7.876 -5.195 1.00 11.50 C ATOM 258 C GLU A 16 6.395 -6.486 -5.748 1.00 10.13 C ATOM 259 O GLU A 16 5.751 -6.069 -6.688 1.00 9.83 O ATOM 260 CB GLU A 16 6.697 -8.876 -6.307 1.00 17.22 C ATOM 261 CG GLU A 16 6.863 -10.256 -5.631 1.00 23.33 C ATOM 262 CD GLU A 16 7.885 -11.084 -6.376 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.122 -10.830 -6.213 1.00 28.90 O ATOM 264 OE2 GLU A 16 7.484 -12.057 -7.068 1.00 28.86 O ATOM 0 H GLU A 16 4.245 -8.154 -5.387 1.00 11.04 H new ATOM 0 HA GLU A 16 6.963 -8.029 -4.355 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.938 -8.918 -7.089 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.627 -8.564 -6.782 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.175 -10.126 -4.595 1.00 23.33 H new ATOM 0 HG3 GLU A 16 5.906 -10.777 -5.612 1.00 23.33 H new ATOM 271 N VAL A 17 7.213 -5.676 -5.096 1.00 8.99 N ATOM 272 CA VAL A 17 7.331 -4.287 -5.388 1.00 8.85 C ATOM 273 C VAL A 17 8.819 -4.070 -5.720 1.00 8.04 C ATOM 274 O VAL A 17 9.717 -4.823 -5.273 1.00 8.99 O ATOM 275 CB VAL A 17 6.855 -3.415 -4.220 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.368 -3.619 -4.040 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.722 -3.678 -2.948 1.00 10.54 C ATOM 0 H VAL A 17 7.819 -5.988 -4.337 1.00 8.99 H new ATOM 0 HA VAL A 17 6.695 -3.992 -6.222 1.00 8.85 H new ATOM 0 HB VAL A 17 6.999 -2.355 -4.429 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.014 -3.005 -3.212 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.848 -3.331 -4.954 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.168 -4.669 -3.824 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.368 -3.050 -2.130 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.639 -4.727 -2.662 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.764 -3.442 -3.163 1.00 10.54 H new ATOM 287 N GLU A 18 9.242 -2.952 -6.363 1.00 7.29 N ATOM 288 CA GLU A 18 10.578 -2.349 -6.288 1.00 7.08 C ATOM 289 C GLU A 18 10.645 -1.198 -5.287 1.00 6.45 C ATOM 290 O GLU A 18 9.628 -0.539 -4.965 1.00 5.28 O ATOM 291 CB GLU A 18 11.054 -1.903 -7.715 1.00 10.28 C ATOM 292 CG GLU A 18 11.153 -3.028 -8.732 1.00 12.65 C ATOM 293 CD GLU A 18 11.999 -4.257 -8.279 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.212 -4.119 -7.904 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.540 -5.412 -8.402 1.00 18.17 O ATOM 0 H GLU A 18 8.620 -2.427 -6.978 1.00 7.29 H new ATOM 0 HA GLU A 18 11.263 -3.112 -5.917 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.364 -1.149 -8.094 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.030 -1.426 -7.625 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.146 -3.369 -8.973 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.583 -2.629 -9.651 1.00 12.65 H new ATOM 302 N PRO A 19 11.796 -0.721 -4.753 1.00 7.24 N ATOM 303 CA PRO A 19 11.823 0.344 -3.775 1.00 7.07 C ATOM 304 C PRO A 19 11.568 1.752 -4.450 1.00 6.65 C ATOM 305 O PRO A 19 11.224 2.702 -3.722 1.00 6.37 O ATOM 306 CB PRO A 19 13.181 0.251 -3.082 1.00 7.61 C ATOM 307 CG PRO A 19 14.089 -0.376 -4.157 1.00 8.16 C ATOM 308 CD PRO A 19 13.123 -1.331 -4.840 1.00 7.49 C ATOM 0 HA PRO A 19 11.023 0.239 -3.042 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.542 1.232 -2.773 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.133 -0.368 -2.186 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.486 0.370 -4.846 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.943 -0.896 -3.722 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.408 -1.491 -5.880 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.133 -2.306 -4.353 1.00 7.49 H new ATOM 316 N SER A 20 11.708 1.809 -5.764 1.00 6.80 N ATOM 317 CA SER A 20 11.487 2.968 -6.521 1.00 6.28 C ATOM 318 C SER A 20 10.123 3.015 -7.169 1.00 8.45 C ATOM 319 O SER A 20 9.815 3.768 -8.075 1.00 7.26 O ATOM 320 CB SER A 20 12.574 3.204 -7.544 1.00 8.57 C ATOM 321 OG SER A 20 12.811 2.076 -8.427 1.00 11.13 O ATOM 0 H SER A 20 11.990 1.006 -6.326 1.00 6.80 H new ATOM 0 HA SER A 20 11.520 3.784 -5.799 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.309 4.074 -8.146 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.501 3.446 -7.024 1.00 8.57 H new ATOM 0 HG SER A 20 13.524 2.301 -9.061 1.00 11.13 H new ATOM 327 N ASP A 21 9.220 2.085 -6.631 1.00 7.50 N ATOM 328 CA ASP A 21 7.825 2.122 -7.071 1.00 7.70 C ATOM 329 C ASP A 21 6.998 3.052 -6.226 1.00 7.08 C ATOM 330 O ASP A 21 7.205 3.237 -5.036 1.00 8.11 O ATOM 331 CB ASP A 21 7.165 0.693 -7.111 1.00 11.00 C ATOM 332 CG ASP A 21 7.663 -0.234 -8.109 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.302 0.124 -9.159 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.404 -1.433 -7.909 1.00 14.36 O ATOM 0 H ASP A 21 9.450 1.367 -5.944 1.00 7.50 H new ATOM 0 HA ASP A 21 7.844 2.505 -8.091 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.290 0.234 -6.130 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.094 0.819 -7.270 1.00 11.00 H new ATOM 339 N THR A 22 6.160 3.802 -6.915 1.00 5.37 N ATOM 340 CA THR A 22 5.134 4.664 -6.333 1.00 6.01 C ATOM 341 C THR A 22 4.036 3.944 -5.611 1.00 8.01 C ATOM 342 O THR A 22 3.624 2.910 -6.036 1.00 8.11 O ATOM 343 CB THR A 22 4.540 5.628 -7.380 1.00 8.92 C ATOM 344 OG1 THR A 22 4.091 4.987 -8.547 1.00 10.22 O ATOM 345 CG2 THR A 22 5.705 6.499 -7.792 1.00 9.65 C ATOM 0 H THR A 22 6.171 3.833 -7.934 1.00 5.37 H new ATOM 0 HA THR A 22 5.666 5.234 -5.571 1.00 6.01 H new ATOM 0 HB THR A 22 3.684 6.145 -6.946 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.726 5.653 -9.166 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.374 7.220 -8.540 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.088 7.030 -6.921 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.494 5.876 -8.213 1.00 9.65 H new ATOM 353 N ILE A 23 3.461 4.569 -4.624 1.00 8.32 N ATOM 354 CA ILE A 23 2.306 3.964 -3.922 1.00 9.92 C ATOM 355 C ILE A 23 1.130 3.786 -4.825 1.00 10.01 C ATOM 356 O ILE A 23 0.391 2.861 -4.715 1.00 8.71 O ATOM 357 CB ILE A 23 1.973 4.804 -2.644 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.201 4.986 -1.702 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.805 4.285 -1.898 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.834 3.733 -1.069 1.00 12.30 C ATOM 0 H ILE A 23 3.748 5.483 -4.273 1.00 8.32 H new ATOM 0 HA ILE A 23 2.575 2.957 -3.602 1.00 9.92 H new ATOM 0 HB ILE A 23 1.702 5.791 -3.018 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.978 5.501 -2.267 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.902 5.651 -0.892 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.625 4.910 -1.023 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.074 4.301 -2.542 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.003 3.262 -1.579 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.676 4.028 -0.442 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.091 3.218 -0.460 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.184 3.065 -1.856 1.00 12.30 H new ATOM 372 N GLU A 24 0.853 4.686 -5.820 1.00 9.54 N ATOM 373 CA GLU A 24 -0.076 4.503 -6.914 1.00 11.81 C ATOM 374 C GLU A 24 0.108 3.165 -7.653 1.00 11.14 C ATOM 375 O GLU A 24 -0.835 2.433 -7.939 1.00 10.62 O ATOM 376 CB GLU A 24 0.225 5.649 -7.956 1.00 19.24 C ATOM 377 CG GLU A 24 -0.819 5.789 -9.088 1.00 27.76 C ATOM 378 CD GLU A 24 -0.501 6.979 -9.946 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.537 6.844 -10.668 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.226 7.999 -10.010 1.00 34.80 O ATOM 0 H GLU A 24 1.311 5.597 -5.855 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.087 4.520 -6.506 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.291 6.597 -7.423 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.202 5.466 -8.403 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.828 4.885 -9.697 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.816 5.896 -8.661 1.00 27.76 H new ATOM 387 N ASN A 25 1.320 2.706 -7.851 1.00 9.43 N ATOM 388 CA ASN A 25 1.537 1.420 -8.478 1.00 10.96 C ATOM 389 C ASN A 25 1.318 0.288 -7.517 1.00 9.68 C ATOM 390 O ASN A 25 0.807 -0.788 -7.889 1.00 9.33 O ATOM 391 CB ASN A 25 3.016 1.394 -9.015 1.00 16.78 C ATOM 392 CG ASN A 25 3.474 0.163 -9.777 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.151 -0.691 -9.245 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.982 -0.082 -11.024 1.00 24.70 N ATOM 0 H ASN A 25 2.172 3.201 -7.588 1.00 9.43 H new ATOM 0 HA ASN A 25 0.822 1.289 -9.291 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.151 2.259 -9.665 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.683 1.528 -8.164 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.186 -0.967 -11.488 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.410 0.620 -11.493 1.00 24.70 H new ATOM 401 N VAL A 26 1.634 0.517 -6.228 1.00 6.52 N ATOM 402 CA VAL A 26 1.508 -0.439 -5.164 1.00 5.53 C ATOM 403 C VAL A 26 0.053 -0.764 -4.855 1.00 4.42 C ATOM 404 O VAL A 26 -0.352 -1.927 -4.894 1.00 3.40 O ATOM 405 CB VAL A 26 2.246 -0.023 -3.871 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.900 -0.974 -2.670 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.720 0.108 -4.166 1.00 8.12 C ATOM 0 H VAL A 26 1.997 1.416 -5.910 1.00 6.52 H new ATOM 0 HA VAL A 26 1.996 -1.340 -5.537 1.00 5.53 H new ATOM 0 HB VAL A 26 1.899 0.956 -3.539 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.439 -0.648 -1.780 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.828 -0.941 -2.477 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.193 -1.994 -2.918 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.248 0.401 -3.259 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.107 -0.848 -4.518 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.871 0.866 -4.935 1.00 8.12 H new ATOM 417 N LYS A 27 -0.836 0.276 -4.855 1.00 2.64 N ATOM 418 CA LYS A 27 -2.318 0.182 -4.733 1.00 4.14 C ATOM 419 C LYS A 27 -2.972 -0.535 -5.916 1.00 5.58 C ATOM 420 O LYS A 27 -3.944 -1.282 -5.792 1.00 4.11 O ATOM 421 CB LYS A 27 -3.053 1.506 -4.570 1.00 3.97 C ATOM 422 CG LYS A 27 -2.748 2.248 -3.260 1.00 7.45 C ATOM 423 CD LYS A 27 -3.381 3.645 -3.263 1.00 9.02 C ATOM 424 CE LYS A 27 -3.131 4.349 -1.821 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.519 5.758 -1.937 1.00 15.47 N ATOM 0 H LYS A 27 -0.521 1.242 -4.944 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.422 -0.390 -3.811 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.797 2.154 -5.408 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.126 1.321 -4.626 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.128 1.674 -2.415 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.669 2.333 -3.128 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.947 4.252 -4.057 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.450 3.572 -3.465 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.718 3.854 -1.047 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.084 4.264 -1.531 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.838 6.349 -1.419 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.526 6.035 -2.939 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.469 5.891 -1.535 1.00 15.47 H new ATOM 439 N ALA A 28 -2.382 -0.403 -7.201 1.00 6.61 N ATOM 440 CA ALA A 28 -2.897 -1.009 -8.392 1.00 7.74 C ATOM 441 C ALA A 28 -2.700 -2.519 -8.385 1.00 9.17 C ATOM 442 O ALA A 28 -3.529 -3.265 -8.891 1.00 11.45 O ATOM 443 CB ALA A 28 -2.074 -0.383 -9.525 1.00 7.68 C ATOM 0 H ALA A 28 -1.536 0.143 -7.363 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.969 -0.841 -8.494 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.402 -0.791 -10.481 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.216 0.698 -9.524 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.018 -0.610 -9.376 1.00 7.68 H new ATOM 449 N LYS A 29 -1.577 -3.046 -7.823 1.00 8.96 N ATOM 450 CA LYS A 29 -1.336 -4.458 -7.592 1.00 7.90 C ATOM 451 C LYS A 29 -2.273 -4.999 -6.535 1.00 6.92 C ATOM 452 O LYS A 29 -2.781 -6.124 -6.576 1.00 6.87 O ATOM 453 CB LYS A 29 0.107 -4.698 -7.203 1.00 10.28 C ATOM 454 CG LYS A 29 1.119 -4.252 -8.187 1.00 14.94 C ATOM 455 CD LYS A 29 2.560 -4.503 -7.834 1.00 19.69 C ATOM 456 CE LYS A 29 3.392 -4.483 -9.150 1.00 22.63 C ATOM 457 NZ LYS A 29 4.808 -4.640 -8.810 1.00 24.98 N ATOM 0 H LYS A 29 -0.801 -2.460 -7.515 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.532 -4.992 -8.522 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.298 -4.191 -6.257 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.244 -5.765 -7.026 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.910 -4.744 -9.137 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.989 -3.182 -8.348 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.921 -3.740 -7.144 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.667 -5.464 -7.331 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.071 -5.286 -9.813 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.233 -3.546 -9.684 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.304 -5.107 -9.596 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.230 -3.705 -8.641 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.897 -5.220 -7.952 1.00 24.98 H new ATOM 471 N ILE A 30 -2.655 -4.192 -5.446 1.00 4.57 N ATOM 472 CA ILE A 30 -3.726 -4.587 -4.505 1.00 5.58 C ATOM 473 C ILE A 30 -5.036 -4.652 -5.236 1.00 7.26 C ATOM 474 O ILE A 30 -5.911 -5.483 -5.001 1.00 9.46 O ATOM 475 CB ILE A 30 -3.779 -3.725 -3.237 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.418 -3.746 -2.519 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.012 -3.974 -2.378 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.419 -2.889 -1.194 1.00 2.00 C ATOM 0 H ILE A 30 -2.226 -3.292 -5.233 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.494 -5.583 -4.129 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.933 -2.685 -3.524 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.152 -4.776 -2.281 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.650 -3.366 -3.193 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.980 -3.329 -1.500 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.909 -3.754 -2.957 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.031 -5.017 -2.062 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.435 -2.939 -0.728 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.656 -1.852 -1.432 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.167 -3.284 -0.506 1.00 2.00 H new ATOM 490 N GLN A 31 -5.314 -3.743 -6.180 1.00 7.06 N ATOM 491 CA GLN A 31 -6.434 -3.876 -7.097 1.00 8.67 C ATOM 492 C GLN A 31 -6.450 -5.057 -7.986 1.00 10.90 C ATOM 493 O GLN A 31 -7.519 -5.651 -8.069 1.00 9.63 O ATOM 494 CB GLN A 31 -6.610 -2.587 -7.956 1.00 9.12 C ATOM 495 CG GLN A 31 -7.776 -2.536 -8.931 1.00 10.76 C ATOM 496 CD GLN A 31 -7.928 -1.231 -9.635 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.915 -0.498 -9.533 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.937 -0.999 -10.486 1.00 14.76 N ATOM 0 H GLN A 31 -4.763 -2.897 -6.323 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.274 -4.031 -6.420 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.706 -1.742 -7.275 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.692 -2.436 -8.524 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.649 -3.324 -9.673 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.697 -2.754 -8.390 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.143 -1.638 -10.530 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.969 -0.182 -11.096 1.00 14.76 H new ATOM 507 N ASP A 32 -5.282 -5.481 -8.622 1.00 10.93 N ATOM 508 CA ASP A 32 -5.191 -6.707 -9.342 1.00 14.01 C ATOM 509 C ASP A 32 -5.570 -7.922 -8.456 1.00 14.04 C ATOM 510 O ASP A 32 -6.306 -8.798 -8.851 1.00 13.39 O ATOM 511 CB ASP A 32 -3.757 -6.748 -10.041 1.00 18.01 C ATOM 512 CG ASP A 32 -3.672 -7.947 -10.925 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.622 -8.274 -11.709 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.593 -8.597 -10.960 1.00 26.29 O ATOM 0 H ASP A 32 -4.415 -4.943 -8.615 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.930 -6.771 -10.141 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.598 -5.841 -10.624 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.972 -6.783 -9.285 1.00 18.01 H new ATOM 519 N LYS A 33 -5.063 -7.978 -7.233 1.00 14.22 N ATOM 520 CA LYS A 33 -5.256 -9.066 -6.366 1.00 14.00 C ATOM 521 C LYS A 33 -6.622 -9.217 -5.723 1.00 12.37 C ATOM 522 O LYS A 33 -7.238 -10.224 -5.864 1.00 12.17 O ATOM 523 CB LYS A 33 -4.292 -8.946 -5.161 1.00 18.62 C ATOM 524 CG LYS A 33 -2.830 -9.368 -5.502 1.00 24.00 C ATOM 525 CD LYS A 33 -2.331 -10.632 -4.793 1.00 27.61 C ATOM 526 CE LYS A 33 -0.864 -10.976 -5.002 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.510 -12.139 -4.207 1.00 30.06 N ATOM 0 H LYS A 33 -4.494 -7.232 -6.832 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.098 -9.917 -7.028 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.293 -7.916 -4.804 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.662 -9.566 -4.345 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.755 -9.522 -6.579 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.163 -8.543 -5.251 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.509 -10.520 -3.724 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.934 -11.476 -5.129 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.675 -11.175 -6.057 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.239 -10.128 -4.720 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.197 -11.869 -3.493 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.359 -12.507 -3.732 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.113 -12.875 -4.826 1.00 30.06 H new ATOM 541 N GLU A 34 -7.071 -8.180 -5.051 1.00 10.11 N ATOM 542 CA GLU A 34 -8.291 -8.188 -4.264 1.00 10.07 C ATOM 543 C GLU A 34 -9.447 -7.388 -4.898 1.00 9.32 C ATOM 544 O GLU A 34 -10.539 -7.389 -4.425 1.00 11.61 O ATOM 545 CB GLU A 34 -8.024 -7.638 -2.901 1.00 14.77 C ATOM 546 CG GLU A 34 -6.953 -8.439 -2.042 1.00 18.75 C ATOM 547 CD GLU A 34 -7.457 -9.793 -1.586 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.398 -9.825 -0.753 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.811 -10.801 -1.956 1.00 25.19 O ATOM 0 H GLU A 34 -6.587 -7.282 -5.034 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.606 -9.230 -4.216 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.685 -6.607 -3.003 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.963 -7.612 -2.348 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.048 -8.574 -2.634 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.678 -7.847 -1.169 1.00 18.75 H new ATOM 556 N GLY A 35 -9.178 -6.630 -6.001 1.00 7.22 N ATOM 557 CA GLY A 35 -10.257 -5.814 -6.597 1.00 6.29 C ATOM 558 C GLY A 35 -10.581 -4.649 -5.713 1.00 6.93 C ATOM 559 O GLY A 35 -11.729 -4.130 -5.807 1.00 7.41 O ATOM 0 H GLY A 35 -8.273 -6.572 -6.468 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.951 -5.458 -7.581 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.147 -6.427 -6.742 1.00 6.29 H new ATOM 563 N ILE A 36 -9.707 -4.198 -4.796 1.00 5.86 N ATOM 564 CA ILE A 36 -9.854 -2.967 -4.033 1.00 6.07 C ATOM 565 C ILE A 36 -9.447 -1.718 -4.875 1.00 6.36 C ATOM 566 O ILE A 36 -8.329 -1.654 -5.331 1.00 6.18 O ATOM 567 CB ILE A 36 -9.130 -3.154 -2.695 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.678 -4.375 -1.916 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.357 -1.865 -1.775 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.837 -4.610 -0.634 1.00 9.49 C ATOM 0 H ILE A 36 -8.853 -4.705 -4.565 1.00 5.86 H new ATOM 0 HA ILE A 36 -10.897 -2.758 -3.794 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.074 -3.306 -2.919 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.722 -4.208 -1.650 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.648 -5.263 -2.548 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -8.841 -2.001 -0.824 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -8.961 -0.984 -2.280 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.423 -1.731 -1.593 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.231 -5.471 -0.093 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.799 -4.798 -0.909 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.890 -3.727 0.003 1.00 9.49 H new ATOM 582 N PRO A 37 -10.269 -0.687 -5.075 1.00 8.65 N ATOM 583 CA PRO A 37 -9.934 0.553 -5.764 1.00 9.18 C ATOM 584 C PRO A 37 -8.875 1.455 -5.108 1.00 9.85 C ATOM 585 O PRO A 37 -8.998 1.647 -3.929 1.00 8.51 O ATOM 586 CB PRO A 37 -11.261 1.203 -6.103 1.00 11.42 C ATOM 587 CG PRO A 37 -12.297 0.113 -6.112 1.00 9.27 C ATOM 588 CD PRO A 37 -11.740 -0.820 -5.000 1.00 8.33 C ATOM 0 HA PRO A 37 -9.374 0.332 -6.672 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.514 1.969 -5.369 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.212 1.696 -7.074 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.294 0.487 -5.878 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.363 -0.388 -7.078 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.111 -0.526 -4.018 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.050 -1.852 -5.162 1.00 8.33 H new ATOM 596 N PRO A 38 -7.754 1.974 -5.784 1.00 8.71 N ATOM 597 CA PRO A 38 -6.822 2.980 -5.229 1.00 9.08 C ATOM 598 C PRO A 38 -7.366 4.217 -4.497 1.00 9.28 C ATOM 599 O PRO A 38 -6.773 4.623 -3.573 1.00 6.50 O ATOM 600 CB PRO A 38 -6.034 3.379 -6.497 1.00 10.31 C ATOM 601 CG PRO A 38 -5.991 2.099 -7.308 1.00 10.81 C ATOM 602 CD PRO A 38 -7.432 1.651 -7.225 1.00 12.00 C ATOM 0 HA PRO A 38 -6.274 2.537 -4.397 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.531 4.182 -7.042 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.032 3.732 -6.252 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.673 2.273 -8.336 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.307 1.365 -6.883 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.072 2.192 -7.922 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.547 0.590 -7.445 1.00 12.00 H new ATOM 610 N ASP A 39 -8.587 4.649 -4.900 1.00 11.20 N ATOM 611 CA ASP A 39 -9.333 5.775 -4.423 1.00 14.96 C ATOM 612 C ASP A 39 -10.057 5.434 -3.131 1.00 13.99 C ATOM 613 O ASP A 39 -10.482 6.318 -2.373 1.00 13.75 O ATOM 614 CB ASP A 39 -10.377 6.213 -5.421 1.00 24.16 C ATOM 615 CG ASP A 39 -9.604 6.908 -6.501 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.925 7.899 -6.211 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.555 6.428 -7.668 1.00 34.22 O ATOM 0 H ASP A 39 -9.095 4.154 -5.633 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.612 6.577 -4.263 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.930 5.360 -5.816 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.106 6.881 -4.963 1.00 24.16 H new ATOM 622 N GLN A 40 -10.144 4.113 -2.812 1.00 11.60 N ATOM 623 CA GLN A 40 -10.710 3.640 -1.519 1.00 10.76 C ATOM 624 C GLN A 40 -9.643 3.078 -0.609 1.00 8.01 C ATOM 625 O GLN A 40 -9.901 2.810 0.552 1.00 8.96 O ATOM 626 CB GLN A 40 -11.745 2.524 -1.800 1.00 11.14 C ATOM 627 CG GLN A 40 -12.712 2.158 -0.586 1.00 14.85 C ATOM 628 CD GLN A 40 -13.843 1.254 -1.017 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.810 0.704 -2.105 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.844 0.906 -0.122 1.00 18.16 N ATOM 0 H GLN A 40 -9.832 3.363 -3.428 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.171 4.495 -1.025 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.357 2.827 -2.650 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.209 1.623 -2.098 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.137 1.670 0.201 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.122 3.074 -0.160 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.889 1.355 0.793 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.535 0.201 -0.379 1.00 18.16 H new ATOM 639 N GLN A 41 -8.401 2.833 -1.148 1.00 6.52 N ATOM 640 CA GLN A 41 -7.249 2.275 -0.385 1.00 3.87 C ATOM 641 C GLN A 41 -6.457 3.393 0.277 1.00 4.79 C ATOM 642 O GLN A 41 -6.102 4.430 -0.338 1.00 6.34 O ATOM 643 CB GLN A 41 -6.224 1.620 -1.305 1.00 4.20 C ATOM 644 CG GLN A 41 -6.755 0.280 -1.799 1.00 3.20 C ATOM 645 CD GLN A 41 -5.703 -0.293 -2.681 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.560 -0.395 -2.294 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.014 -0.717 -3.962 1.00 7.13 N ATOM 0 H GLN A 41 -8.180 3.021 -2.126 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.685 1.569 0.322 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.013 2.272 -2.152 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.284 1.475 -0.772 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.965 -0.386 -0.962 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.690 0.411 -2.344 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.971 -0.640 -4.307 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.286 -1.107 -4.561 1.00 7.13 H new ATOM 656 N ARG A 42 -6.174 3.217 1.552 1.00 5.73 N ATOM 657 CA ARG A 42 -5.198 4.023 2.250 1.00 6.97 C ATOM 658 C ARG A 42 -4.200 3.075 2.862 1.00 7.15 C ATOM 659 O ARG A 42 -4.481 2.148 3.656 1.00 7.33 O ATOM 660 CB ARG A 42 -5.936 4.923 3.254 1.00 13.23 C ATOM 661 CG ARG A 42 -5.183 5.466 4.429 1.00 21.27 C ATOM 662 CD ARG A 42 -6.008 6.429 5.181 1.00 26.14 C ATOM 663 NE ARG A 42 -6.142 7.708 4.489 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.034 8.646 4.753 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.987 8.529 5.699 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.014 9.780 3.982 1.00 36.39 N ATOM 0 H ARG A 42 -6.618 2.507 2.134 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.643 4.700 1.601 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.340 5.771 2.701 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.786 4.359 3.639 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.883 4.648 5.084 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.269 5.952 4.088 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.998 6.003 5.347 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.564 6.595 6.162 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.486 7.895 3.731 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.048 7.679 6.259 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.647 9.291 5.855 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.326 9.877 3.235 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.687 10.527 4.155 1.00 36.39 H new ATOM 680 N LEU A 43 -2.939 3.174 2.434 1.00 4.65 N ATOM 681 CA LEU A 43 -1.810 2.430 2.840 1.00 3.51 C ATOM 682 C LEU A 43 -1.050 3.194 3.907 1.00 5.56 C ATOM 683 O LEU A 43 -0.749 4.370 3.761 1.00 4.19 O ATOM 684 CB LEU A 43 -0.890 1.996 1.613 1.00 3.74 C ATOM 685 CG LEU A 43 -1.528 0.911 0.648 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.521 0.614 -0.487 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.971 -0.377 1.349 1.00 6.41 C ATOM 0 H LEU A 43 -2.690 3.858 1.720 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.154 1.493 3.277 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.648 2.883 1.028 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.050 1.606 2.003 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.450 1.332 0.247 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.943 -0.131 -1.162 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.316 1.530 -1.041 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.407 0.233 -0.060 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.395 -1.063 0.616 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.111 -0.845 1.828 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.722 -0.141 2.103 1.00 6.41 H new ATOM 699 N ILE A 44 -0.776 2.552 5.036 1.00 4.58 N ATOM 700 CA ILE A 44 -0.151 3.102 6.158 1.00 5.55 C ATOM 701 C ILE A 44 1.146 2.291 6.337 1.00 5.46 C ATOM 702 O ILE A 44 1.188 1.090 6.079 1.00 6.04 O ATOM 703 CB ILE A 44 -1.010 3.054 7.488 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.398 3.616 7.194 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.238 3.620 8.712 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.418 3.432 8.332 1.00 13.90 C ATOM 0 H ILE A 44 -1.014 1.569 5.166 1.00 4.58 H new ATOM 0 HA ILE A 44 0.014 4.166 5.987 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.184 2.029 7.817 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.306 4.680 6.975 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.786 3.138 6.295 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.870 3.565 9.598 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.667 3.034 8.874 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.032 4.659 8.523 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.375 3.861 8.036 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.545 2.369 8.539 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.057 3.935 9.229 1.00 13.90 H new ATOM 718 N PHE A 45 2.278 2.981 6.641 1.00 6.75 N ATOM 719 CA PHE A 45 3.517 2.395 7.152 1.00 4.70 C ATOM 720 C PHE A 45 3.957 3.205 8.354 1.00 6.34 C ATOM 721 O PHE A 45 4.030 4.421 8.328 1.00 5.45 O ATOM 722 CB PHE A 45 4.624 2.319 6.164 1.00 5.51 C ATOM 723 CG PHE A 45 5.869 1.601 6.623 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.833 0.225 6.668 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.050 2.298 6.985 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.954 -0.526 7.039 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.232 1.577 7.139 1.00 6.64 C ATOM 728 CZ PHE A 45 8.197 0.164 7.287 1.00 6.84 C ATOM 0 H PHE A 45 2.340 3.993 6.528 1.00 6.75 H new ATOM 0 HA PHE A 45 3.296 1.359 7.411 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.252 1.823 5.268 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.898 3.334 5.876 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.917 -0.287 6.411 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.033 3.367 7.138 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.890 -1.600 7.138 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.180 2.095 7.146 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.082 -0.382 7.579 1.00 6.84 H new ATOM 738 N ALA A 46 4.051 2.524 9.553 1.00 6.53 N ATOM 739 CA ALA A 46 4.519 3.100 10.777 1.00 7.15 C ATOM 740 C ALA A 46 3.707 4.257 11.337 1.00 9.00 C ATOM 741 O ALA A 46 4.309 5.157 11.964 1.00 11.15 O ATOM 742 CB ALA A 46 6.039 3.570 10.670 1.00 8.99 C ATOM 0 H ALA A 46 3.787 1.543 9.648 1.00 6.53 H new ATOM 0 HA ALA A 46 4.402 2.273 11.478 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.354 4.001 11.620 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.669 2.713 10.434 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.134 4.318 9.883 1.00 8.99 H new ATOM 748 N GLY A 47 2.373 4.226 11.130 1.00 9.35 N ATOM 749 CA GLY A 47 1.513 5.316 11.602 1.00 11.68 C ATOM 750 C GLY A 47 1.472 6.458 10.653 1.00 11.14 C ATOM 751 O GLY A 47 0.827 7.470 10.907 1.00 13.93 O ATOM 0 H GLY A 47 1.883 3.472 10.649 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.502 4.937 11.754 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.872 5.665 12.570 1.00 11.68 H new ATOM 755 N LYS A 48 2.100 6.351 9.444 1.00 10.47 N ATOM 756 CA LYS A 48 2.123 7.364 8.429 1.00 8.82 C ATOM 757 C LYS A 48 1.317 7.017 7.305 1.00 7.68 C ATOM 758 O LYS A 48 1.431 5.879 6.837 1.00 6.47 O ATOM 759 CB LYS A 48 3.593 7.702 8.034 1.00 9.74 C ATOM 760 CG LYS A 48 4.487 8.131 9.215 1.00 14.14 C ATOM 761 CD LYS A 48 5.921 8.406 8.784 1.00 16.32 C ATOM 762 CE LYS A 48 6.813 7.129 8.668 1.00 20.04 C ATOM 763 NZ LYS A 48 8.205 7.479 8.229 1.00 23.92 N ATOM 0 H LYS A 48 2.613 5.512 9.173 1.00 10.47 H new ATOM 0 HA LYS A 48 1.677 8.269 8.841 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.038 6.829 7.556 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.583 8.501 7.293 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.071 9.026 9.676 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.482 7.349 9.974 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.907 8.914 7.820 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.378 9.091 9.499 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.850 6.619 9.631 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.368 6.434 7.956 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.776 6.612 8.160 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.169 7.945 7.300 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.636 8.123 8.922 1.00 23.92 H new ATOM 777 N GLN A 49 0.442 7.920 6.767 1.00 8.89 N ATOM 778 CA GLN A 49 -0.410 7.585 5.603 1.00 7.18 C ATOM 779 C GLN A 49 0.404 7.845 4.322 1.00 8.23 C ATOM 780 O GLN A 49 0.799 8.955 3.995 1.00 9.70 O ATOM 781 CB GLN A 49 -1.733 8.370 5.488 1.00 11.67 C ATOM 782 CG GLN A 49 -2.576 8.387 6.801 1.00 15.82 C ATOM 783 CD GLN A 49 -3.795 9.324 6.850 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.712 9.081 7.600 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.821 10.373 6.003 1.00 20.67 N ATOM 0 H GLN A 49 0.316 8.868 7.121 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.694 6.542 5.742 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.510 9.397 5.198 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.333 7.936 4.688 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.924 7.372 6.990 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.913 8.655 7.623 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.030 10.548 5.384 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.632 10.991 5.981 1.00 20.67 H new ATOM 794 N LEU A 50 0.565 6.811 3.449 1.00 6.51 N ATOM 795 CA LEU A 50 1.443 6.843 2.257 1.00 7.41 C ATOM 796 C LEU A 50 0.684 7.425 1.037 1.00 8.27 C ATOM 797 O LEU A 50 -0.295 6.862 0.573 1.00 8.34 O ATOM 798 CB LEU A 50 2.078 5.431 1.966 1.00 7.13 C ATOM 799 CG LEU A 50 2.501 4.615 3.194 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.923 3.174 2.834 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.591 5.382 4.005 1.00 9.11 C ATOM 0 H LEU A 50 0.079 5.921 3.561 1.00 6.51 H new ATOM 0 HA LEU A 50 2.280 7.511 2.462 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.360 4.843 1.394 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.952 5.572 1.330 1.00 7.13 H new ATOM 0 HG LEU A 50 1.629 4.502 3.838 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.212 2.642 3.741 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.088 2.658 2.361 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.768 3.203 2.146 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.881 4.791 4.874 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.463 5.551 3.373 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.191 6.341 4.336 1.00 9.11 H new ATOM 813 N GLU A 51 1.144 8.568 0.457 1.00 9.43 N ATOM 814 CA GLU A 51 0.415 9.184 -0.676 1.00 11.90 C ATOM 815 C GLU A 51 0.802 8.680 -2.027 1.00 11.49 C ATOM 816 O GLU A 51 1.945 8.249 -2.154 1.00 9.88 O ATOM 817 CB GLU A 51 0.557 10.741 -0.823 1.00 16.56 C ATOM 818 CG GLU A 51 2.024 11.336 -0.749 1.00 26.06 C ATOM 819 CD GLU A 51 2.059 12.882 -0.641 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.010 13.584 -1.704 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.150 13.376 0.561 1.00 32.13 O ATOM 0 H GLU A 51 1.987 9.064 0.746 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.598 8.897 -0.395 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.120 11.033 -1.778 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.040 11.212 -0.042 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.538 10.908 0.111 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.577 11.029 -1.636 1.00 26.06 H new ATOM 828 N ASP A 52 -0.088 8.693 -3.052 1.00 12.71 N ATOM 829 CA ASP A 52 0.085 8.050 -4.371 1.00 16.56 C ATOM 830 C ASP A 52 1.397 8.483 -5.094 1.00 15.83 C ATOM 831 O ASP A 52 2.057 7.613 -5.693 1.00 17.21 O ATOM 832 CB ASP A 52 -1.203 8.242 -5.162 1.00 21.05 C ATOM 833 CG ASP A 52 -2.297 7.633 -4.348 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.496 6.446 -4.424 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.987 8.468 -3.647 1.00 28.37 O ATOM 0 H ASP A 52 -0.984 9.174 -2.974 1.00 12.71 H new ATOM 0 HA ASP A 52 0.240 6.977 -4.256 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.395 9.300 -5.339 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.133 7.763 -6.138 1.00 21.05 H new ATOM 840 N GLY A 53 1.788 9.795 -5.211 1.00 15.00 N ATOM 841 CA GLY A 53 2.906 10.263 -5.939 1.00 11.77 C ATOM 842 C GLY A 53 4.267 9.943 -5.375 1.00 11.10 C ATOM 843 O GLY A 53 5.285 10.236 -5.992 1.00 11.25 O ATOM 0 H GLY A 53 1.274 10.551 -4.760 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.851 9.852 -6.947 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.822 11.346 -6.031 1.00 11.77 H new ATOM 847 N ARG A 54 4.296 9.393 -4.146 1.00 8.53 N ATOM 848 CA ARG A 54 5.519 9.190 -3.322 1.00 9.05 C ATOM 849 C ARG A 54 6.065 7.764 -3.489 1.00 8.96 C ATOM 850 O ARG A 54 5.350 6.815 -3.869 1.00 11.60 O ATOM 851 CB ARG A 54 5.233 9.543 -1.830 1.00 7.97 C ATOM 852 CG ARG A 54 6.441 9.838 -0.925 1.00 9.62 C ATOM 853 CD ARG A 54 7.393 10.927 -1.435 1.00 12.20 C ATOM 854 NE ARG A 54 6.767 12.261 -1.453 1.00 18.23 N ATOM 855 CZ ARG A 54 6.468 13.056 -0.402 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.747 12.721 0.838 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.786 14.192 -0.706 1.00 23.38 N ATOM 0 H ARG A 54 3.450 9.066 -3.680 1.00 8.53 H new ATOM 0 HA ARG A 54 6.297 9.867 -3.675 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.578 10.414 -1.810 1.00 7.97 H new ATOM 0 HB3 ARG A 54 4.677 8.715 -1.389 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.074 10.131 0.059 1.00 9.62 H new ATOM 0 HG3 ARG A 54 7.008 8.917 -0.792 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.281 10.954 -0.803 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.726 10.672 -2.441 1.00 12.20 H new ATOM 0 HE ARG A 54 6.530 12.630 -2.374 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.206 11.832 1.035 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.504 13.350 1.603 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.536 14.393 -1.674 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.524 14.843 0.034 1.00 23.38 H new ATOM 871 N THR A 55 7.382 7.534 -3.352 1.00 9.05 N ATOM 872 CA THR A 55 7.927 6.147 -3.550 1.00 9.03 C ATOM 873 C THR A 55 8.207 5.442 -2.245 1.00 8.15 C ATOM 874 O THR A 55 8.298 6.051 -1.199 1.00 5.91 O ATOM 875 CB THR A 55 9.112 5.944 -4.555 1.00 11.15 C ATOM 876 OG1 THR A 55 10.311 6.481 -4.023 1.00 11.95 O ATOM 877 CG2 THR A 55 8.852 6.643 -5.876 1.00 11.71 C ATOM 0 H THR A 55 8.076 8.244 -3.116 1.00 9.05 H new ATOM 0 HA THR A 55 7.089 5.675 -4.063 1.00 9.03 H new ATOM 0 HB THR A 55 9.203 4.870 -4.717 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.121 7.338 -3.588 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.696 6.479 -6.546 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.946 6.241 -6.328 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.728 7.712 -5.704 1.00 11.71 H new ATOM 885 N LEU A 56 8.403 4.086 -2.242 1.00 6.91 N ATOM 886 CA LEU A 56 8.692 3.164 -1.120 1.00 8.29 C ATOM 887 C LEU A 56 9.976 3.571 -0.435 1.00 8.05 C ATOM 888 O LEU A 56 10.057 3.396 0.761 1.00 10.17 O ATOM 889 CB LEU A 56 8.649 1.715 -1.511 1.00 6.60 C ATOM 890 CG LEU A 56 7.265 1.214 -1.969 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.411 -0.101 -2.710 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.305 0.869 -0.768 1.00 8.64 C ATOM 0 H LEU A 56 8.355 3.570 -3.121 1.00 6.91 H new ATOM 0 HA LEU A 56 7.886 3.258 -0.392 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.366 1.548 -2.315 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.976 1.114 -0.663 1.00 6.60 H new ATOM 0 HG LEU A 56 6.856 2.022 -2.575 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.429 -0.449 -3.031 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.048 0.042 -3.583 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.861 -0.843 -2.050 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.347 0.522 -1.156 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.754 0.086 -0.157 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.149 1.760 -0.159 1.00 8.64 H new ATOM 904 N SER A 57 11.043 3.981 -1.179 1.00 8.92 N ATOM 905 CA SER A 57 12.287 4.371 -0.539 1.00 9.00 C ATOM 906 C SER A 57 12.206 5.672 0.240 1.00 9.44 C ATOM 907 O SER A 57 12.795 5.771 1.330 1.00 10.91 O ATOM 908 CB SER A 57 13.545 4.317 -1.449 1.00 10.32 C ATOM 909 OG SER A 57 13.399 5.116 -2.635 1.00 13.59 O ATOM 0 H SER A 57 11.047 4.042 -2.197 1.00 8.92 H new ATOM 0 HA SER A 57 12.430 3.579 0.196 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.412 4.662 -0.886 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.740 3.283 -1.733 1.00 10.32 H new ATOM 0 HG SER A 57 14.215 5.052 -3.175 1.00 13.59 H new ATOM 915 N ASP A 58 11.349 6.682 -0.142 1.00 9.11 N ATOM 916 CA ASP A 58 11.138 7.979 0.476 1.00 7.91 C ATOM 917 C ASP A 58 10.552 7.905 1.918 1.00 9.12 C ATOM 918 O ASP A 58 10.631 8.794 2.755 1.00 8.61 O ATOM 919 CB ASP A 58 10.204 8.787 -0.457 1.00 8.41 C ATOM 920 CG ASP A 58 10.780 9.022 -1.799 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.964 9.480 -1.846 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.071 8.748 -2.863 1.00 11.70 O ATOM 0 H ASP A 58 10.753 6.567 -0.962 1.00 9.11 H new ATOM 0 HA ASP A 58 12.106 8.465 0.596 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.259 8.255 -0.563 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.979 9.747 0.008 1.00 8.41 H new ATOM 927 N TYR A 59 9.820 6.790 2.125 1.00 7.97 N ATOM 928 CA TYR A 59 9.155 6.412 3.355 1.00 8.45 C ATOM 929 C TYR A 59 10.008 5.428 4.138 1.00 10.98 C ATOM 930 O TYR A 59 9.582 5.027 5.229 1.00 12.95 O ATOM 931 CB TYR A 59 7.780 5.807 3.103 1.00 7.94 C ATOM 932 CG TYR A 59 6.814 6.850 2.704 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.541 7.971 3.532 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.009 6.692 1.532 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.576 8.919 3.157 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.995 7.558 1.219 1.00 6.52 C ATOM 937 CZ TYR A 59 4.838 8.697 2.004 1.00 6.76 C ATOM 938 OH TYR A 59 3.904 9.719 1.617 1.00 7.63 O ATOM 0 H TYR A 59 9.679 6.101 1.386 1.00 7.97 H new ATOM 0 HA TYR A 59 9.018 7.324 3.936 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.848 5.050 2.322 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.428 5.304 4.004 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.081 8.095 4.459 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.208 5.861 0.871 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.412 9.804 3.754 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.336 7.363 0.386 1.00 6.52 H new ATOM 0 HH TYR A 59 4.232 10.592 1.917 1.00 7.63 H new ATOM 948 N ASN A 60 11.231 5.119 3.732 1.00 12.38 N ATOM 949 CA ASN A 60 12.135 4.217 4.452 1.00 13.94 C ATOM 950 C ASN A 60 11.586 2.828 4.503 1.00 14.16 C ATOM 951 O ASN A 60 11.626 2.121 5.492 1.00 14.26 O ATOM 952 CB ASN A 60 12.628 4.679 5.824 1.00 19.23 C ATOM 953 CG ASN A 60 13.268 6.078 5.695 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.679 7.145 5.871 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.563 6.082 5.367 1.00 24.09 N ATOM 0 H ASN A 60 11.637 5.494 2.874 1.00 12.38 H new ATOM 0 HA ASN A 60 13.042 4.234 3.848 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.798 4.711 6.529 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.355 3.970 6.219 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.060 6.967 5.263 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.055 5.200 5.220 1.00 24.09 H new ATOM 962 N ILE A 61 10.909 2.375 3.357 1.00 11.08 N ATOM 963 CA ILE A 61 10.280 1.057 3.291 1.00 11.78 C ATOM 964 C ILE A 61 11.298 0.077 2.643 1.00 13.74 C ATOM 965 O ILE A 61 11.958 0.429 1.666 1.00 14.60 O ATOM 966 CB ILE A 61 8.939 1.139 2.541 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.908 2.026 3.391 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.262 -0.226 2.556 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.661 2.384 2.637 1.00 11.42 C ATOM 0 H ILE A 61 10.811 2.926 2.504 1.00 11.08 H new ATOM 0 HA ILE A 61 10.033 0.682 4.284 1.00 11.78 H new ATOM 0 HB ILE A 61 9.148 1.524 1.543 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.633 1.482 4.295 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.406 2.942 3.709 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.312 -0.167 2.025 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.906 -0.957 2.068 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.083 -0.532 3.587 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.010 2.984 3.274 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.925 2.955 1.747 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.140 1.473 2.342 1.00 11.42 H new ATOM 981 N GLN A 62 11.543 -1.106 3.195 1.00 13.97 N ATOM 982 CA GLN A 62 12.564 -2.005 2.748 1.00 15.52 C ATOM 983 C GLN A 62 11.943 -3.385 2.511 1.00 13.94 C ATOM 984 O GLN A 62 10.714 -3.502 2.591 1.00 12.15 O ATOM 985 CB GLN A 62 13.729 -2.028 3.795 1.00 19.53 C ATOM 986 CG GLN A 62 13.296 -2.408 5.227 1.00 26.38 C ATOM 987 CD GLN A 62 14.493 -2.345 6.192 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.520 -3.011 6.044 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.345 -1.514 7.248 1.00 32.71 N ATOM 0 H GLN A 62 11.012 -1.463 3.989 1.00 13.97 H new ATOM 0 HA GLN A 62 12.993 -1.675 1.802 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.488 -2.734 3.459 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.198 -1.044 3.820 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.512 -1.731 5.567 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.873 -3.412 5.230 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.488 -0.971 7.353 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.090 -1.430 7.939 1.00 32.71 H new ATOM 998 N LYS A 63 12.741 -4.463 2.158 1.00 11.73 N ATOM 999 CA LYS A 63 12.320 -5.819 2.032 1.00 11.97 C ATOM 1000 C LYS A 63 11.528 -6.310 3.207 1.00 10.41 C ATOM 1001 O LYS A 63 11.808 -5.892 4.367 1.00 9.59 O ATOM 1002 CB LYS A 63 13.516 -6.790 1.802 1.00 13.73 C ATOM 1003 CG LYS A 63 14.600 -6.828 2.888 1.00 16.98 C ATOM 1004 CD LYS A 63 15.840 -7.574 2.462 1.00 20.19 C ATOM 1005 CE LYS A 63 16.966 -7.649 3.514 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.513 -8.174 4.833 1.00 25.97 N ATOM 0 H LYS A 63 13.734 -4.348 1.955 1.00 11.73 H new ATOM 0 HA LYS A 63 11.672 -5.820 1.155 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.117 -7.798 1.686 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.991 -6.525 0.858 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.872 -5.807 3.157 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.192 -7.296 3.784 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.555 -8.590 2.188 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.237 -7.101 1.564 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.766 -8.285 3.134 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.389 -6.654 3.654 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.324 -8.230 5.482 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.794 -7.537 5.232 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.104 -9.122 4.707 1.00 25.97 H new ATOM 1020 N GLU A 64 10.501 -7.151 2.994 1.00 10.04 N ATOM 1021 CA GLU A 64 9.797 -7.889 4.047 1.00 10.94 C ATOM 1022 C GLU A 64 8.908 -7.095 4.995 1.00 9.74 C ATOM 1023 O GLU A 64 8.339 -7.636 5.972 1.00 9.42 O ATOM 1024 CB GLU A 64 10.619 -8.946 4.770 1.00 18.31 C ATOM 1025 CG GLU A 64 11.168 -10.051 3.870 1.00 24.16 C ATOM 1026 CD GLU A 64 11.887 -11.166 4.613 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.903 -10.918 5.314 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.465 -12.342 4.436 1.00 31.72 O ATOM 0 H GLU A 64 10.132 -7.338 2.062 1.00 10.04 H new ATOM 0 HA GLU A 64 9.082 -8.429 3.426 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.453 -8.457 5.273 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.002 -9.400 5.545 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.344 -10.482 3.301 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.856 -9.608 3.150 1.00 24.16 H new ATOM 1035 N SER A 65 8.752 -5.824 4.662 1.00 6.85 N ATOM 1036 CA SER A 65 8.031 -4.887 5.511 1.00 6.90 C ATOM 1037 C SER A 65 6.533 -5.168 5.757 1.00 4.72 C ATOM 1038 O SER A 65 5.880 -5.776 4.929 1.00 3.91 O ATOM 1039 CB SER A 65 8.255 -3.436 5.081 1.00 7.28 C ATOM 1040 OG SER A 65 9.631 -3.051 5.133 1.00 10.56 O ATOM 0 H SER A 65 9.118 -5.414 3.803 1.00 6.85 H new ATOM 0 HA SER A 65 8.486 -5.057 6.487 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.882 -3.301 4.066 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.673 -2.777 5.725 1.00 7.28 H new ATOM 0 HG SER A 65 10.045 -3.197 4.257 1.00 10.56 H new ATOM 1046 N THR A 66 6.008 -4.784 6.923 1.00 4.48 N ATOM 1047 CA THR A 66 4.614 -4.855 7.306 1.00 3.80 C ATOM 1048 C THR A 66 3.943 -3.563 6.901 1.00 4.60 C ATOM 1049 O THR A 66 4.053 -2.569 7.628 1.00 5.33 O ATOM 1050 CB THR A 66 4.478 -5.070 8.829 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.901 -6.365 9.188 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.959 -5.041 9.231 1.00 3.40 C ATOM 0 H THR A 66 6.589 -4.392 7.664 1.00 4.48 H new ATOM 0 HA THR A 66 4.139 -5.699 6.806 1.00 3.80 H new ATOM 0 HB THR A 66 5.068 -4.293 9.315 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.809 -6.482 10.157 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.864 -5.193 10.306 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.530 -4.076 8.962 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.428 -5.834 8.704 1.00 3.40 H new ATOM 1060 N LEU A 67 3.263 -3.562 5.720 1.00 4.17 N ATOM 1061 CA LEU A 67 2.353 -2.455 5.428 1.00 3.85 C ATOM 1062 C LEU A 67 0.958 -2.696 5.982 1.00 3.80 C ATOM 1063 O LEU A 67 0.555 -3.811 6.301 1.00 5.54 O ATOM 1064 CB LEU A 67 2.242 -2.123 3.925 1.00 7.18 C ATOM 1065 CG LEU A 67 3.376 -1.312 3.284 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.740 -2.015 3.362 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.922 -1.125 1.850 1.00 11.66 C ATOM 0 H LEU A 67 3.331 -4.281 5.000 1.00 4.17 H new ATOM 0 HA LEU A 67 2.803 -1.598 5.930 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.154 -3.063 3.380 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.311 -1.577 3.771 1.00 7.18 H new ATOM 0 HG LEU A 67 3.541 -0.369 3.806 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.499 -1.390 2.891 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.004 -2.182 4.406 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.686 -2.972 2.844 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.671 -0.552 1.303 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.795 -2.100 1.379 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.973 -0.589 1.836 1.00 11.66 H new ATOM 1079 N HIS A 68 0.220 -1.596 6.087 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.144 -1.694 6.572 1.00 4.17 C ATOM 1081 C HIS A 68 -2.083 -1.054 5.583 1.00 5.32 C ATOM 1082 O HIS A 68 -1.944 0.059 5.269 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.266 -1.008 7.962 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.497 -1.560 9.135 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.888 -1.361 9.172 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.739 -2.307 10.248 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.392 -2.009 10.252 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.442 -2.552 10.960 1.00 16.30 N ATOM 0 H HIS A 68 0.534 -0.655 5.850 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.412 -2.745 6.681 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.969 0.034 7.839 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.321 -1.009 8.235 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.715 -2.664 10.543 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.443 -2.067 10.494 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.538 -3.050 11.845 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.100 -1.786 5.113 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.236 -1.342 4.339 1.00 3.97 C ATOM 1098 C LEU A 69 -5.377 -1.098 5.225 1.00 5.07 C ATOM 1099 O LEU A 69 -5.864 -2.017 5.930 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.469 -2.509 3.347 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.775 -2.366 2.545 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.667 -1.128 1.569 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.251 -3.656 1.825 1.00 9.96 C ATOM 0 H LEU A 69 -3.140 -2.790 5.287 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.086 -0.400 3.812 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.629 -2.563 2.655 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.489 -3.449 3.899 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.566 -2.184 3.272 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.593 -1.029 1.003 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.498 -0.221 2.149 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.835 -1.279 0.881 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.178 -3.452 1.288 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.487 -3.982 1.119 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.423 -4.441 2.561 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.951 0.100 5.138 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.264 0.414 5.649 1.00 6.26 C ATOM 1117 C VAL A 70 -8.123 1.056 4.575 1.00 9.22 C ATOM 1118 O VAL A 70 -7.663 1.763 3.647 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.341 1.285 6.910 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.476 0.557 8.030 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.675 2.635 6.644 1.00 8.54 C ATOM 0 H VAL A 70 -5.493 0.896 4.695 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.635 -0.565 5.953 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.381 1.428 7.205 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.502 1.143 8.948 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.887 -0.434 8.220 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.445 0.462 7.689 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.731 3.251 7.541 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.630 2.479 6.376 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.188 3.139 5.825 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.436 0.806 4.648 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.331 1.349 3.688 1.00 16.06 C ATOM 1133 C LEU A 71 -10.825 2.749 4.036 1.00 18.09 C ATOM 1134 O LEU A 71 -11.145 2.980 5.243 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.510 0.471 3.247 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.149 -0.794 2.488 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.382 -1.680 2.099 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.262 -0.589 1.259 1.00 19.57 C ATOM 0 H LEU A 71 -9.875 0.231 5.367 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.678 1.400 2.817 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.079 0.190 4.133 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.170 1.071 2.621 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.554 -1.331 3.227 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.040 -2.564 1.560 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.909 -1.987 3.002 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.056 -1.106 1.463 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.063 -1.552 0.789 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.770 0.063 0.548 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.320 -0.132 1.562 1.00 19.57 H new