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 -38:sc= 1.42 USER MOD Set 1.2: A 57 SER OG : rot -7:sc= 1 USER MOD Set 2.1: A 22 THR OG1 : rot -170:sc= 0.0523 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.458 K(o=0.51,f=-4.1!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 173:sc= -0.0461 (180deg=-0.141) USER MOD Single : A 1 MET N :NH3+ -162:sc= 2.47 (180deg=2.3) USER MOD Single : A 2 GLN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 1.09 (180deg=0.527) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00932 USER MOD Single : A 14 THR OG1 : rot -97:sc= 0.077 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -120:sc= 1.4 (180deg=-0.192!) USER MOD Single : A 29 LYS NZ :NH3+ -150:sc=-0.000981 (180deg=-0.143) USER MOD Single : A 31 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0767 K(o=-0.077,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= 0.144 K(o=0.14,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.244 K(o=-0.24,f=-0.89) USER MOD Single : A 59 TYR OH : rot 143:sc= 0.876 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=-0.006) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0325) USER MOD Single : A 65 SER OG : rot 66:sc= 1.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.508 X(o=-0.51,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.205 -7.294 -5.031 1.00 9.67 N ATOM 2 CA MET A 1 11.142 -7.667 -3.568 1.00 10.38 C ATOM 3 C MET A 1 9.765 -8.005 -3.163 1.00 9.62 C ATOM 4 O MET A 1 8.783 -7.694 -3.816 1.00 9.62 O ATOM 5 CB MET A 1 11.813 -6.566 -2.650 1.00 13.77 C ATOM 6 CG MET A 1 10.975 -5.275 -2.293 1.00 16.29 C ATOM 7 SD MET A 1 11.980 -3.997 -1.513 1.00 17.17 S ATOM 8 CE MET A 1 10.621 -2.900 -0.997 1.00 16.11 C ATOM 0 H1 MET A 1 12.188 -7.358 -5.364 1.00 9.67 H new ATOM 0 H2 MET A 1 10.610 -7.946 -5.581 1.00 9.67 H new ATOM 0 H3 MET A 1 10.860 -6.321 -5.156 1.00 9.67 H new ATOM 0 HA MET A 1 11.735 -8.570 -3.424 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.101 -7.044 -1.714 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.732 -6.241 -3.138 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.524 -4.875 -3.201 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.158 -5.549 -1.626 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.018 -2.095 -0.378 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.140 -2.477 -1.879 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.890 -3.471 -0.424 1.00 16.11 H new ATOM 20 N GLN A 2 9.660 -8.604 -1.978 1.00 9.27 N ATOM 21 CA GLN A 2 8.354 -8.877 -1.448 1.00 9.07 C ATOM 22 C GLN A 2 8.118 -7.872 -0.365 1.00 8.72 C ATOM 23 O GLN A 2 8.938 -7.535 0.456 1.00 8.22 O ATOM 24 CB GLN A 2 8.366 -10.305 -0.760 1.00 14.46 C ATOM 25 CG GLN A 2 8.513 -11.492 -1.703 1.00 17.01 C ATOM 26 CD GLN A 2 7.235 -11.684 -2.578 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.435 -12.578 -2.218 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.133 -10.973 -3.730 1.00 19.49 N ATOM 0 H GLN A 2 10.443 -8.896 -1.394 1.00 9.27 H new ATOM 0 HA GLN A 2 7.598 -8.838 -2.233 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.183 -10.334 -0.039 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.440 -10.424 -0.197 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.379 -11.341 -2.348 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.700 -12.397 -1.125 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.827 -10.259 -3.952 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.362 -11.152 -4.373 1.00 19.49 H new ATOM 37 N ILE A 3 6.821 -7.462 -0.325 1.00 5.87 N ATOM 38 CA ILE A 3 6.360 -6.766 0.902 1.00 5.07 C ATOM 39 C ILE A 3 5.048 -7.447 1.285 1.00 4.01 C ATOM 40 O ILE A 3 4.301 -8.018 0.508 1.00 4.61 O ATOM 41 CB ILE A 3 6.124 -5.239 0.829 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.056 -4.924 -0.292 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.486 -4.595 0.665 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.594 -3.446 -0.262 1.00 10.83 C ATOM 0 H ILE A 3 6.128 -7.587 -1.063 1.00 5.87 H new ATOM 0 HA ILE A 3 7.172 -6.850 1.624 1.00 5.07 H new ATOM 0 HB ILE A 3 5.684 -4.814 1.731 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.481 -5.150 -1.270 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.192 -5.576 -0.161 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.372 -3.512 0.608 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.114 -4.850 1.519 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.953 -4.959 -0.250 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.860 -3.278 -1.051 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.144 -3.225 0.706 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.452 -2.793 -0.420 1.00 10.83 H new ATOM 56 N PHE A 4 4.690 -7.319 2.587 1.00 4.55 N ATOM 57 CA PHE A 4 3.414 -7.766 3.026 1.00 4.68 C ATOM 58 C PHE A 4 2.443 -6.507 3.131 1.00 5.30 C ATOM 59 O PHE A 4 2.799 -5.458 3.662 1.00 5.58 O ATOM 60 CB PHE A 4 3.528 -8.431 4.444 1.00 4.83 C ATOM 61 CG PHE A 4 4.497 -9.531 4.474 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.068 -10.720 3.906 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.773 -9.428 5.037 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.046 -11.781 3.740 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.668 -10.477 4.969 1.00 10.61 C ATOM 66 CZ PHE A 4 6.285 -11.666 4.343 1.00 8.90 C ATOM 0 H PHE A 4 5.279 -6.913 3.314 1.00 4.55 H new ATOM 0 HA PHE A 4 3.026 -8.498 2.317 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.819 -7.675 5.173 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.550 -8.805 4.746 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.042 -10.853 3.597 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.063 -8.513 5.533 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.807 -12.653 3.150 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.655 -10.379 5.396 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.965 -12.505 4.330 1.00 8.90 H new ATOM 76 N VAL A 5 1.183 -6.706 2.753 1.00 4.44 N ATOM 77 CA VAL A 5 0.106 -5.790 2.993 1.00 3.87 C ATOM 78 C VAL A 5 -0.940 -6.411 3.784 1.00 4.93 C ATOM 79 O VAL A 5 -1.323 -7.554 3.565 1.00 6.84 O ATOM 80 CB VAL A 5 -0.493 -5.188 1.672 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.520 -4.127 1.928 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.603 -4.639 0.745 1.00 9.13 C ATOM 0 H VAL A 5 0.888 -7.545 2.254 1.00 4.44 H new ATOM 0 HA VAL A 5 0.533 -4.960 3.556 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.992 -6.019 1.174 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.897 -3.749 0.978 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.344 -4.549 2.503 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.067 -3.310 2.489 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.146 -4.232 -0.157 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.154 -3.852 1.260 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.287 -5.443 0.474 1.00 9.13 H new ATOM 92 N LYS A 6 -1.446 -5.686 4.791 1.00 6.04 N ATOM 93 CA LYS A 6 -2.353 -6.299 5.743 1.00 6.12 C ATOM 94 C LYS A 6 -3.526 -5.443 6.063 1.00 6.57 C ATOM 95 O LYS A 6 -3.387 -4.309 6.560 1.00 5.76 O ATOM 96 CB LYS A 6 -1.572 -6.582 7.040 1.00 7.45 C ATOM 97 CG LYS A 6 -2.234 -7.554 8.079 1.00 11.12 C ATOM 98 CD LYS A 6 -1.435 -7.613 9.369 1.00 14.54 C ATOM 99 CE LYS A 6 -2.026 -8.631 10.422 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.074 -8.906 11.560 1.00 20.55 N ATOM 0 H LYS A 6 -1.244 -4.700 4.957 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.739 -7.214 5.293 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.600 -6.992 6.766 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.388 -5.630 7.538 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.250 -7.223 8.293 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.308 -8.553 7.649 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.407 -7.894 9.139 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.402 -6.618 9.814 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.959 -8.234 10.822 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.267 -9.568 9.920 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.510 -9.579 12.222 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.192 -9.310 11.185 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.863 -8.018 12.058 1.00 20.55 H new ATOM 114 N THR A 7 -4.732 -5.979 5.831 1.00 7.41 N ATOM 115 CA THR A 7 -5.955 -5.275 5.886 1.00 7.48 C ATOM 116 C THR A 7 -6.509 -5.038 7.240 1.00 8.75 C ATOM 117 O THR A 7 -6.001 -5.619 8.212 1.00 8.58 O ATOM 118 CB THR A 7 -7.104 -5.918 5.021 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.506 -7.161 5.504 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.579 -6.133 3.654 1.00 9.17 C ATOM 0 H THR A 7 -4.853 -6.963 5.591 1.00 7.41 H new ATOM 0 HA THR A 7 -5.650 -4.316 5.468 1.00 7.48 H new ATOM 0 HB THR A 7 -7.958 -5.242 5.051 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.220 -7.517 4.936 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.355 -6.578 3.032 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.275 -5.177 3.226 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.719 -6.802 3.695 1.00 9.17 H new ATOM 128 N LEU A 8 -7.585 -4.205 7.381 1.00 9.84 N ATOM 129 CA LEU A 8 -8.326 -3.970 8.620 1.00 14.15 C ATOM 130 C LEU A 8 -8.812 -5.225 9.334 1.00 17.37 C ATOM 131 O LEU A 8 -8.927 -5.259 10.569 1.00 17.01 O ATOM 132 CB LEU A 8 -9.576 -3.155 8.319 1.00 16.63 C ATOM 133 CG LEU A 8 -9.262 -1.745 7.644 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.555 -1.055 7.144 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.506 -0.826 8.621 1.00 18.59 C ATOM 0 H LEU A 8 -7.957 -3.670 6.597 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.612 -3.464 9.269 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.226 -3.729 7.659 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.127 -2.992 9.245 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.625 -1.931 6.779 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.304 -0.097 6.690 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.044 -1.690 6.405 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.229 -0.892 7.985 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.303 0.130 8.138 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.114 -0.661 9.510 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.565 -1.295 8.907 1.00 18.59 H new ATOM 147 N THR A 9 -9.122 -6.323 8.611 1.00 18.33 N ATOM 148 CA THR A 9 -9.688 -7.585 9.184 1.00 19.24 C ATOM 149 C THR A 9 -8.589 -8.638 9.268 1.00 19.48 C ATOM 150 O THR A 9 -8.830 -9.842 9.357 1.00 23.14 O ATOM 151 CB THR A 9 -10.761 -8.124 8.337 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.353 -8.289 6.999 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.021 -7.251 8.337 1.00 19.70 C ATOM 0 H THR A 9 -8.988 -6.369 7.601 1.00 18.33 H new ATOM 0 HA THR A 9 -10.090 -7.351 10.170 1.00 19.24 H new ATOM 0 HB THR A 9 -10.995 -9.093 8.779 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.096 -8.651 6.473 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.776 -7.702 7.693 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.409 -7.173 9.352 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.775 -6.256 7.965 1.00 19.70 H new ATOM 161 N GLY A 10 -7.333 -8.271 9.060 1.00 19.43 N ATOM 162 CA GLY A 10 -6.252 -9.211 9.370 1.00 18.74 C ATOM 163 C GLY A 10 -5.689 -9.870 8.121 1.00 17.62 C ATOM 164 O GLY A 10 -4.620 -10.513 8.215 1.00 19.74 O ATOM 0 H GLY A 10 -7.038 -7.366 8.692 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.453 -8.684 9.892 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.624 -9.979 10.048 1.00 18.74 H new ATOM 168 N LYS A 11 -6.324 -9.804 6.960 1.00 13.56 N ATOM 169 CA LYS A 11 -5.872 -10.459 5.740 1.00 11.91 C ATOM 170 C LYS A 11 -4.528 -10.051 5.260 1.00 10.18 C ATOM 171 O LYS A 11 -4.180 -8.882 5.212 1.00 9.10 O ATOM 172 CB LYS A 11 -6.893 -10.389 4.580 1.00 13.43 C ATOM 173 CG LYS A 11 -6.537 -11.356 3.429 1.00 16.69 C ATOM 174 CD LYS A 11 -7.517 -11.261 2.200 1.00 17.92 C ATOM 175 CE LYS A 11 -7.037 -12.193 1.080 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.074 -12.393 0.061 1.00 21.93 N ATOM 0 H LYS A 11 -7.190 -9.280 6.837 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.784 -11.498 6.058 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.887 -10.628 4.958 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.935 -9.370 4.196 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.522 -11.147 3.091 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.542 -12.378 3.809 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.527 -11.535 2.506 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.562 -10.234 1.837 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.145 -11.774 0.615 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.753 -13.156 1.504 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.647 -12.808 -0.792 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.804 -13.035 0.430 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.506 -11.478 -0.178 1.00 21.93 H new ATOM 190 N THR A 12 -3.576 -10.975 5.008 1.00 9.63 N ATOM 191 CA THR A 12 -2.234 -10.547 4.630 1.00 9.85 C ATOM 192 C THR A 12 -2.028 -11.084 3.216 1.00 11.66 C ATOM 193 O THR A 12 -2.303 -12.227 2.902 1.00 12.33 O ATOM 194 CB THR A 12 -1.195 -11.129 5.514 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.304 -10.765 6.903 1.00 10.91 O ATOM 196 CG2 THR A 12 0.159 -10.613 5.104 1.00 9.63 C ATOM 0 H THR A 12 -3.714 -11.984 5.059 1.00 9.63 H new ATOM 0 HA THR A 12 -2.146 -9.463 4.704 1.00 9.85 H new ATOM 0 HB THR A 12 -1.329 -12.206 5.409 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.583 -11.193 7.411 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.923 -11.040 5.753 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.360 -10.898 4.071 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.176 -9.527 5.190 1.00 9.63 H new ATOM 204 N ILE A 13 -1.564 -10.210 2.307 1.00 10.42 N ATOM 205 CA ILE A 13 -1.292 -10.568 0.947 1.00 11.84 C ATOM 206 C ILE A 13 0.166 -10.167 0.713 1.00 10.55 C ATOM 207 O ILE A 13 0.634 -9.130 1.203 1.00 11.92 O ATOM 208 CB ILE A 13 -2.237 -9.939 -0.048 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.368 -8.379 0.105 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.620 -10.576 0.189 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.116 -7.626 -1.011 1.00 16.46 C ATOM 0 H ILE A 13 -1.373 -9.231 2.520 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.449 -11.635 0.789 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.847 -10.117 -1.050 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.872 -8.173 1.049 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.364 -7.961 0.181 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.341 -10.151 -0.510 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.556 -11.653 0.034 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.943 -10.375 1.210 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.134 -6.560 -0.782 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.607 -7.784 -1.962 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.138 -7.999 -1.080 1.00 16.46 H new ATOM 223 N THR A 14 0.971 -10.945 -0.056 1.00 9.39 N ATOM 224 CA THR A 14 2.386 -10.606 -0.277 1.00 9.63 C ATOM 225 C THR A 14 2.578 -10.209 -1.710 1.00 11.20 C ATOM 226 O THR A 14 2.180 -10.912 -2.671 1.00 11.63 O ATOM 227 CB THR A 14 3.408 -11.741 -0.066 1.00 10.38 C ATOM 228 OG1 THR A 14 3.059 -12.662 0.921 1.00 16.30 O ATOM 229 CG2 THR A 14 4.768 -11.137 0.393 1.00 11.66 C ATOM 0 H THR A 14 0.663 -11.797 -0.524 1.00 9.39 H new ATOM 0 HA THR A 14 2.575 -9.829 0.464 1.00 9.63 H new ATOM 0 HB THR A 14 3.452 -12.255 -1.026 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.513 -12.432 1.758 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.491 -11.939 0.542 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.138 -10.453 -0.370 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.628 -10.596 1.329 1.00 11.66 H new ATOM 237 N LEU A 15 3.096 -8.973 -1.876 1.00 8.29 N ATOM 238 CA LEU A 15 3.203 -8.332 -3.207 1.00 9.03 C ATOM 239 C LEU A 15 4.633 -8.402 -3.717 1.00 8.59 C ATOM 240 O LEU A 15 5.632 -8.227 -2.977 1.00 7.79 O ATOM 241 CB LEU A 15 2.720 -6.940 -3.368 1.00 11.08 C ATOM 242 CG LEU A 15 1.265 -6.805 -2.939 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.872 -5.372 -2.882 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.283 -7.525 -3.925 1.00 15.27 C ATOM 0 H LEU A 15 3.446 -8.400 -1.108 1.00 8.29 H new ATOM 0 HA LEU A 15 2.502 -8.926 -3.794 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.340 -6.267 -2.775 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.824 -6.635 -4.409 1.00 11.08 H new ATOM 0 HG LEU A 15 1.193 -7.273 -1.957 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.171 -5.293 -2.574 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.504 -4.850 -2.163 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.995 -4.922 -3.867 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.741 -7.399 -3.575 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.382 -7.090 -4.920 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.524 -8.587 -3.968 1.00 15.27 H new ATOM 256 N GLU A 16 4.927 -8.561 -5.056 1.00 11.04 N ATOM 257 CA GLU A 16 6.261 -8.441 -5.670 1.00 11.50 C ATOM 258 C GLU A 16 6.427 -6.998 -6.148 1.00 10.13 C ATOM 259 O GLU A 16 5.792 -6.579 -7.079 1.00 9.83 O ATOM 260 CB GLU A 16 6.363 -9.442 -6.851 1.00 17.22 C ATOM 261 CG GLU A 16 7.749 -9.503 -7.676 1.00 23.33 C ATOM 262 CD GLU A 16 8.970 -9.513 -6.733 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.141 -10.338 -5.834 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.744 -8.532 -6.958 1.00 28.86 O ATOM 0 H GLU A 16 4.204 -8.783 -5.741 1.00 11.04 H new ATOM 0 HA GLU A 16 7.053 -8.676 -4.959 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.163 -10.440 -6.461 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.565 -9.209 -7.556 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.763 -10.397 -8.300 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.813 -8.645 -8.346 1.00 23.33 H new ATOM 271 N VAL A 17 7.290 -6.107 -5.509 1.00 8.99 N ATOM 272 CA VAL A 17 7.490 -4.720 -5.765 1.00 8.85 C ATOM 273 C VAL A 17 8.974 -4.338 -5.961 1.00 8.04 C ATOM 274 O VAL A 17 9.934 -5.060 -5.685 1.00 8.99 O ATOM 275 CB VAL A 17 7.040 -3.802 -4.566 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.599 -4.125 -4.229 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.002 -3.869 -3.306 1.00 10.54 C ATOM 0 H VAL A 17 7.887 -6.428 -4.746 1.00 8.99 H new ATOM 0 HA VAL A 17 6.898 -4.561 -6.666 1.00 8.85 H new ATOM 0 HB VAL A 17 7.114 -2.762 -4.883 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.270 -3.498 -3.400 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.971 -3.935 -5.099 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.518 -5.174 -3.945 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.624 -3.210 -2.524 1.00 10.54 H new ATOM 0 HG22 VAL A 17 8.040 -4.892 -2.931 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.004 -3.551 -3.596 1.00 10.54 H new ATOM 287 N GLU A 18 9.106 -3.093 -6.422 1.00 7.29 N ATOM 288 CA GLU A 18 10.429 -2.488 -6.458 1.00 7.08 C ATOM 289 C GLU A 18 10.493 -1.247 -5.546 1.00 6.45 C ATOM 290 O GLU A 18 9.494 -0.639 -5.188 1.00 5.28 O ATOM 291 CB GLU A 18 10.694 -2.006 -7.852 1.00 10.28 C ATOM 292 CG GLU A 18 11.054 -3.139 -8.889 1.00 12.65 C ATOM 293 CD GLU A 18 12.182 -4.006 -8.564 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.370 -3.589 -8.819 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.010 -5.139 -8.071 1.00 14.33 O ATOM 0 H GLU A 18 8.344 -2.507 -6.762 1.00 7.29 H new ATOM 0 HA GLU A 18 11.153 -3.233 -6.129 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.814 -1.472 -8.210 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.513 -1.287 -7.823 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.173 -3.767 -9.023 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.257 -2.666 -9.850 1.00 12.65 H new ATOM 302 N PRO A 19 11.640 -0.826 -5.141 1.00 7.24 N ATOM 303 CA PRO A 19 11.791 0.463 -4.444 1.00 7.07 C ATOM 304 C PRO A 19 11.451 1.667 -5.319 1.00 6.65 C ATOM 305 O PRO A 19 11.197 2.796 -4.860 1.00 6.37 O ATOM 306 CB PRO A 19 13.295 0.561 -3.990 1.00 7.61 C ATOM 307 CG PRO A 19 13.917 -0.459 -4.947 1.00 8.16 C ATOM 308 CD PRO A 19 12.890 -1.571 -5.161 1.00 7.49 C ATOM 0 HA PRO A 19 11.094 0.490 -3.606 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.707 1.562 -4.120 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.435 0.292 -2.943 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.175 0.012 -5.895 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.839 -0.863 -4.530 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.041 -2.091 -6.107 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.931 -2.323 -4.373 1.00 7.49 H new ATOM 316 N SER A 20 11.431 1.427 -6.622 1.00 6.80 N ATOM 317 CA SER A 20 11.266 2.387 -7.703 1.00 6.28 C ATOM 318 C SER A 20 9.838 2.372 -8.269 1.00 8.45 C ATOM 319 O SER A 20 9.543 2.953 -9.276 1.00 7.26 O ATOM 320 CB SER A 20 12.167 2.001 -8.904 1.00 8.57 C ATOM 321 OG SER A 20 13.515 1.863 -8.502 1.00 11.13 O ATOM 0 H SER A 20 11.539 0.478 -6.979 1.00 6.80 H new ATOM 0 HA SER A 20 11.515 3.360 -7.279 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.816 1.066 -9.340 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.091 2.763 -9.680 1.00 8.57 H new ATOM 0 HG SER A 20 14.064 1.618 -9.276 1.00 11.13 H new ATOM 327 N ASP A 21 8.863 1.717 -7.600 1.00 7.50 N ATOM 328 CA ASP A 21 7.483 1.812 -7.880 1.00 7.70 C ATOM 329 C ASP A 21 7.046 2.930 -7.019 1.00 7.08 C ATOM 330 O ASP A 21 7.644 3.246 -6.005 1.00 8.11 O ATOM 331 CB ASP A 21 6.800 0.525 -7.347 1.00 11.00 C ATOM 332 CG ASP A 21 6.796 -0.585 -8.418 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.709 -0.336 -9.677 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.084 -1.718 -8.001 1.00 14.36 O ATOM 0 H ASP A 21 9.066 1.089 -6.822 1.00 7.50 H new ATOM 0 HA ASP A 21 7.256 1.944 -8.938 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.322 0.174 -6.457 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.776 0.750 -7.048 1.00 11.00 H new ATOM 339 N THR A 22 5.951 3.637 -7.369 1.00 5.37 N ATOM 340 CA THR A 22 5.197 4.491 -6.474 1.00 6.01 C ATOM 341 C THR A 22 4.319 3.715 -5.530 1.00 8.01 C ATOM 342 O THR A 22 3.969 2.544 -5.767 1.00 8.11 O ATOM 343 CB THR A 22 4.271 5.517 -7.071 1.00 8.92 C ATOM 344 OG1 THR A 22 3.231 5.075 -7.898 1.00 10.22 O ATOM 345 CG2 THR A 22 5.112 6.453 -7.958 1.00 9.65 C ATOM 0 H THR A 22 5.569 3.618 -8.315 1.00 5.37 H new ATOM 0 HA THR A 22 6.029 5.011 -5.999 1.00 6.01 H new ATOM 0 HB THR A 22 3.795 5.959 -6.196 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.813 5.845 -8.337 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.466 7.209 -8.405 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.875 6.941 -7.351 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.592 5.873 -8.747 1.00 9.65 H new ATOM 353 N ILE A 23 3.853 4.378 -4.437 1.00 8.32 N ATOM 354 CA ILE A 23 2.773 3.820 -3.580 1.00 9.92 C ATOM 355 C ILE A 23 1.466 3.656 -4.283 1.00 10.01 C ATOM 356 O ILE A 23 0.876 2.643 -4.005 1.00 8.71 O ATOM 357 CB ILE A 23 2.588 4.724 -2.406 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.908 4.912 -1.597 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.474 4.304 -1.461 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.550 3.624 -1.080 1.00 12.30 C ATOM 0 H ILE A 23 4.203 5.286 -4.132 1.00 8.32 H new ATOM 0 HA ILE A 23 3.087 2.820 -3.280 1.00 9.92 H new ATOM 0 HB ILE A 23 2.291 5.675 -2.849 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.630 5.430 -2.228 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.703 5.563 -0.747 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.408 5.015 -0.637 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.527 4.285 -2.000 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.687 3.310 -1.067 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.461 3.866 -0.532 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.853 3.111 -0.417 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.794 2.976 -1.922 1.00 12.30 H new ATOM 372 N GLU A 24 1.016 4.556 -5.171 1.00 9.54 N ATOM 373 CA GLU A 24 -0.084 4.376 -6.063 1.00 11.81 C ATOM 374 C GLU A 24 0.036 3.047 -6.918 1.00 11.14 C ATOM 375 O GLU A 24 -0.903 2.335 -7.168 1.00 10.62 O ATOM 376 CB GLU A 24 -0.149 5.528 -7.025 1.00 19.24 C ATOM 377 CG GLU A 24 -1.071 5.402 -8.320 1.00 27.76 C ATOM 378 CD GLU A 24 -1.538 6.724 -8.675 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.747 7.558 -9.224 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.781 7.024 -8.541 1.00 34.80 O ATOM 0 H GLU A 24 1.451 5.473 -5.272 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.979 4.315 -5.444 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.482 6.404 -6.468 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.867 5.732 -7.363 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.509 4.963 -9.145 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.915 4.741 -8.122 1.00 27.76 H new ATOM 387 N ASN A 25 1.283 2.719 -7.370 1.00 9.43 N ATOM 388 CA ASN A 25 1.464 1.476 -8.152 1.00 10.96 C ATOM 389 C ASN A 25 1.248 0.246 -7.253 1.00 9.68 C ATOM 390 O ASN A 25 0.871 -0.815 -7.747 1.00 9.33 O ATOM 391 CB ASN A 25 2.875 1.400 -8.795 1.00 16.78 C ATOM 392 CG ASN A 25 3.206 2.598 -9.698 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.304 3.067 -9.666 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.213 3.060 -10.534 1.00 24.70 N ATOM 0 H ASN A 25 2.128 3.268 -7.214 1.00 9.43 H new ATOM 0 HA ASN A 25 0.724 1.485 -8.952 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.622 1.335 -8.004 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.949 0.483 -9.380 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.399 3.839 -11.166 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.291 2.623 -10.521 1.00 24.70 H new ATOM 401 N VAL A 26 1.550 0.329 -5.904 1.00 6.52 N ATOM 402 CA VAL A 26 1.154 -0.670 -4.895 1.00 5.53 C ATOM 403 C VAL A 26 -0.373 -0.833 -4.757 1.00 4.42 C ATOM 404 O VAL A 26 -0.858 -1.949 -4.754 1.00 3.40 O ATOM 405 CB VAL A 26 1.789 -0.398 -3.526 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.444 -1.484 -2.488 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.311 -0.462 -3.720 1.00 8.12 C ATOM 0 H VAL A 26 2.080 1.106 -5.509 1.00 6.52 H new ATOM 0 HA VAL A 26 1.542 -1.616 -5.271 1.00 5.53 H new ATOM 0 HB VAL A 26 1.421 0.563 -3.166 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.919 -1.242 -1.537 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.363 -1.528 -2.353 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.806 -2.451 -2.839 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.807 -0.274 -2.768 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.590 -1.450 -4.085 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.617 0.293 -4.444 1.00 8.12 H new ATOM 417 N LYS A 27 -1.065 0.284 -4.740 1.00 2.64 N ATOM 418 CA LYS A 27 -2.511 0.246 -4.750 1.00 4.14 C ATOM 419 C LYS A 27 -3.126 -0.456 -6.016 1.00 5.58 C ATOM 420 O LYS A 27 -4.096 -1.257 -5.983 1.00 4.11 O ATOM 421 CB LYS A 27 -3.132 1.655 -4.648 1.00 3.97 C ATOM 422 CG LYS A 27 -2.670 2.419 -3.395 1.00 7.45 C ATOM 423 CD LYS A 27 -3.344 3.826 -3.230 1.00 9.02 C ATOM 424 CE LYS A 27 -3.134 4.354 -1.808 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.839 5.625 -1.719 1.00 15.47 N ATOM 0 H LYS A 27 -0.657 1.219 -4.719 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.759 -0.347 -3.870 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.868 2.229 -5.536 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.218 1.569 -4.636 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.886 1.817 -2.513 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.588 2.547 -3.436 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.921 4.526 -3.951 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.410 3.753 -3.444 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.519 3.647 -1.073 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.073 4.486 -1.598 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.164 6.381 -1.486 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.292 5.835 -2.631 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.565 5.568 -0.977 1.00 15.47 H new ATOM 439 N ALA A 28 -2.468 -0.320 -7.200 1.00 6.61 N ATOM 440 CA ALA A 28 -2.769 -1.034 -8.377 1.00 7.74 C ATOM 441 C ALA A 28 -2.569 -2.594 -8.292 1.00 9.17 C ATOM 442 O ALA A 28 -3.427 -3.386 -8.646 1.00 11.45 O ATOM 443 CB ALA A 28 -1.912 -0.399 -9.503 1.00 7.68 C ATOM 0 H ALA A 28 -1.689 0.328 -7.318 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.838 -0.945 -8.572 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.106 -0.916 -10.443 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.172 0.654 -9.608 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.855 -0.489 -9.251 1.00 7.68 H new ATOM 449 N LYS A 29 -1.431 -3.013 -7.661 1.00 8.96 N ATOM 450 CA LYS A 29 -1.153 -4.456 -7.442 1.00 7.90 C ATOM 451 C LYS A 29 -2.103 -5.150 -6.484 1.00 6.92 C ATOM 452 O LYS A 29 -2.438 -6.340 -6.553 1.00 6.87 O ATOM 453 CB LYS A 29 0.254 -4.646 -6.793 1.00 10.28 C ATOM 454 CG LYS A 29 1.302 -4.194 -7.795 1.00 14.94 C ATOM 455 CD LYS A 29 2.738 -4.474 -7.295 1.00 19.69 C ATOM 456 CE LYS A 29 3.819 -3.731 -8.016 1.00 22.63 C ATOM 457 NZ LYS A 29 3.792 -4.389 -9.401 1.00 24.98 N ATOM 0 H LYS A 29 -0.711 -2.385 -7.305 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.250 -4.890 -8.437 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.331 -4.065 -5.874 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.411 -5.690 -6.524 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.142 -4.706 -8.744 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.186 -3.127 -7.985 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.792 -4.224 -6.235 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.934 -5.543 -7.381 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.613 -2.662 -8.069 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.787 -3.846 -7.529 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.744 -4.360 -9.818 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.484 -5.378 -9.309 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.129 -3.875 -10.016 1.00 24.98 H new ATOM 471 N ILE A 30 -2.589 -4.406 -5.500 1.00 4.57 N ATOM 472 CA ILE A 30 -3.670 -4.796 -4.560 1.00 5.58 C ATOM 473 C ILE A 30 -5.015 -4.955 -5.286 1.00 7.26 C ATOM 474 O ILE A 30 -5.761 -5.910 -5.080 1.00 9.46 O ATOM 475 CB ILE A 30 -3.892 -3.764 -3.414 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.559 -3.643 -2.637 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.103 -4.046 -2.573 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.378 -2.411 -1.690 1.00 2.00 C ATOM 0 H ILE A 30 -2.235 -3.468 -5.314 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.336 -5.742 -4.134 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.141 -2.787 -3.828 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.436 -4.546 -2.039 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.747 -3.629 -3.364 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.192 -3.286 -1.797 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.994 -4.029 -3.201 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.004 -5.028 -2.110 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.399 -2.459 -1.214 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.455 -1.492 -2.270 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.154 -2.423 -0.925 1.00 2.00 H new ATOM 490 N GLN A 31 -5.365 -4.075 -6.268 1.00 7.06 N ATOM 491 CA GLN A 31 -6.517 -4.181 -7.108 1.00 8.67 C ATOM 492 C GLN A 31 -6.515 -5.441 -7.950 1.00 10.90 C ATOM 493 O GLN A 31 -7.518 -6.170 -8.044 1.00 9.63 O ATOM 494 CB GLN A 31 -6.644 -2.951 -8.062 1.00 9.12 C ATOM 495 CG GLN A 31 -7.885 -2.834 -8.985 1.00 10.76 C ATOM 496 CD GLN A 31 -8.089 -1.393 -9.499 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.154 -0.777 -9.236 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.098 -0.861 -10.203 1.00 14.76 N ATOM 0 H GLN A 31 -4.804 -3.249 -6.476 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.369 -4.217 -6.429 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.608 -2.053 -7.446 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.759 -2.937 -8.698 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.771 -3.509 -9.833 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.773 -3.154 -8.440 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.255 -1.404 -10.388 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.179 0.091 -10.559 1.00 14.76 H new ATOM 507 N ASP A 32 -5.346 -5.799 -8.444 1.00 10.93 N ATOM 508 CA ASP A 32 -5.001 -6.970 -9.172 1.00 14.01 C ATOM 509 C ASP A 32 -5.378 -8.293 -8.362 1.00 14.04 C ATOM 510 O ASP A 32 -5.857 -9.321 -9.009 1.00 13.39 O ATOM 511 CB ASP A 32 -3.509 -6.873 -9.612 1.00 18.01 C ATOM 512 CG ASP A 32 -3.164 -8.106 -10.411 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.464 -8.260 -11.598 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.485 -9.016 -9.793 1.00 26.29 O ATOM 0 H ASP A 32 -4.533 -5.195 -8.322 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.593 -7.041 -10.084 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.348 -5.976 -10.211 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.861 -6.794 -8.739 1.00 18.01 H new ATOM 519 N LYS A 33 -5.162 -8.313 -7.020 1.00 14.22 N ATOM 520 CA LYS A 33 -5.571 -9.435 -6.160 1.00 14.00 C ATOM 521 C LYS A 33 -7.035 -9.327 -5.688 1.00 12.37 C ATOM 522 O LYS A 33 -7.819 -10.233 -5.874 1.00 12.17 O ATOM 523 CB LYS A 33 -4.571 -9.400 -4.970 1.00 18.62 C ATOM 524 CG LYS A 33 -3.389 -10.384 -5.247 1.00 24.00 C ATOM 525 CD LYS A 33 -2.374 -10.497 -4.076 1.00 27.61 C ATOM 526 CE LYS A 33 -1.086 -11.391 -4.198 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.444 -12.819 -4.578 1.00 30.06 N ATOM 0 H LYS A 33 -4.703 -7.554 -6.516 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.540 -10.382 -6.699 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.190 -8.388 -4.832 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.079 -9.678 -4.047 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.795 -11.373 -5.459 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.860 -10.058 -6.143 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.039 -9.486 -3.847 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.928 -10.854 -3.208 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.417 -10.969 -4.948 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.547 -11.388 -3.251 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.576 -13.387 -4.652 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.064 -13.227 -3.849 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.938 -12.821 -5.493 1.00 30.06 H new ATOM 541 N GLU A 34 -7.444 -8.219 -5.036 1.00 10.11 N ATOM 542 CA GLU A 34 -8.679 -8.230 -4.203 1.00 10.07 C ATOM 543 C GLU A 34 -9.857 -7.349 -4.734 1.00 9.32 C ATOM 544 O GLU A 34 -10.926 -7.361 -4.167 1.00 11.61 O ATOM 545 CB GLU A 34 -8.381 -7.685 -2.796 1.00 14.77 C ATOM 546 CG GLU A 34 -7.167 -8.304 -2.071 1.00 18.75 C ATOM 547 CD GLU A 34 -7.535 -9.745 -1.727 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.679 -9.960 -1.158 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.678 -10.690 -1.969 1.00 25.19 O ATOM 0 H GLU A 34 -6.956 -7.324 -5.063 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.984 -9.276 -4.221 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -8.224 -6.609 -2.871 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.264 -7.835 -2.176 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.282 -8.274 -2.707 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.930 -7.741 -1.168 1.00 18.75 H new ATOM 556 N GLY A 35 -9.619 -6.647 -5.892 1.00 7.22 N ATOM 557 CA GLY A 35 -10.614 -5.905 -6.605 1.00 6.29 C ATOM 558 C GLY A 35 -11.044 -4.659 -5.859 1.00 6.93 C ATOM 559 O GLY A 35 -12.210 -4.448 -5.580 1.00 7.41 O ATOM 0 H GLY A 35 -8.699 -6.607 -6.330 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.223 -5.624 -7.583 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.483 -6.540 -6.779 1.00 6.29 H new ATOM 563 N ILE A 36 -10.097 -3.849 -5.472 1.00 5.86 N ATOM 564 CA ILE A 36 -10.402 -2.664 -4.724 1.00 6.07 C ATOM 565 C ILE A 36 -9.901 -1.444 -5.506 1.00 6.36 C ATOM 566 O ILE A 36 -8.686 -1.354 -5.795 1.00 6.18 O ATOM 567 CB ILE A 36 -9.587 -2.651 -3.388 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.844 -3.899 -2.504 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.987 -1.425 -2.593 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.938 -4.089 -1.271 1.00 9.49 C ATOM 0 H ILE A 36 -9.105 -3.990 -5.664 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.477 -2.641 -4.544 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.530 -2.647 -3.656 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.878 -3.863 -2.161 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.748 -4.784 -3.133 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.428 -1.400 -1.658 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.766 -0.528 -3.172 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.055 -1.464 -2.377 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.226 -4.999 -0.744 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.899 -4.169 -1.592 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.047 -3.234 -0.604 1.00 9.49 H new ATOM 582 N PRO A 37 -10.702 -0.436 -5.965 1.00 8.65 N ATOM 583 CA PRO A 37 -10.222 0.865 -6.561 1.00 9.18 C ATOM 584 C PRO A 37 -9.065 1.510 -5.796 1.00 9.85 C ATOM 585 O PRO A 37 -9.357 1.776 -4.618 1.00 8.51 O ATOM 586 CB PRO A 37 -11.491 1.747 -6.521 1.00 11.42 C ATOM 587 CG PRO A 37 -12.629 0.699 -6.799 1.00 9.27 C ATOM 588 CD PRO A 37 -12.133 -0.529 -6.051 1.00 8.33 C ATOM 0 HA PRO A 37 -9.807 0.724 -7.559 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.616 2.238 -5.556 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.466 2.532 -7.277 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.595 1.039 -6.425 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.750 0.504 -7.865 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.574 -0.575 -5.055 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.427 -1.440 -6.573 1.00 8.33 H new ATOM 596 N PRO A 38 -7.852 1.869 -6.275 1.00 8.71 N ATOM 597 CA PRO A 38 -6.818 2.699 -5.633 1.00 9.08 C ATOM 598 C PRO A 38 -7.278 3.817 -4.736 1.00 9.28 C ATOM 599 O PRO A 38 -6.814 3.979 -3.625 1.00 6.50 O ATOM 600 CB PRO A 38 -5.893 3.136 -6.822 1.00 10.31 C ATOM 601 CG PRO A 38 -5.911 1.910 -7.785 1.00 10.81 C ATOM 602 CD PRO A 38 -7.398 1.426 -7.585 1.00 12.00 C ATOM 0 HA PRO A 38 -6.289 2.120 -4.876 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.270 4.034 -7.312 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.883 3.360 -6.480 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.699 2.188 -8.817 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.184 1.149 -7.504 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.038 1.835 -8.367 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.457 0.340 -7.660 1.00 12.00 H new ATOM 610 N ASP A 39 -8.325 4.535 -5.098 1.00 11.20 N ATOM 611 CA ASP A 39 -8.864 5.682 -4.439 1.00 14.96 C ATOM 612 C ASP A 39 -9.598 5.280 -3.125 1.00 13.99 C ATOM 613 O ASP A 39 -9.759 6.165 -2.290 1.00 13.75 O ATOM 614 CB ASP A 39 -9.880 6.464 -5.347 1.00 24.16 C ATOM 615 CG ASP A 39 -9.138 7.312 -6.363 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.709 8.420 -6.018 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.992 6.894 -7.510 1.00 34.22 O ATOM 0 H ASP A 39 -8.857 4.299 -5.936 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.015 6.328 -4.214 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.535 5.760 -5.860 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.516 7.098 -4.729 1.00 24.16 H new ATOM 622 N GLN A 40 -9.922 3.937 -2.926 1.00 11.60 N ATOM 623 CA GLN A 40 -10.592 3.518 -1.704 1.00 10.76 C ATOM 624 C GLN A 40 -9.594 2.943 -0.721 1.00 8.01 C ATOM 625 O GLN A 40 -9.990 2.366 0.325 1.00 8.96 O ATOM 626 CB GLN A 40 -11.641 2.412 -1.897 1.00 11.14 C ATOM 627 CG GLN A 40 -12.813 2.792 -2.771 1.00 14.85 C ATOM 628 CD GLN A 40 -13.869 1.666 -2.770 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.724 0.491 -3.114 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.093 2.137 -2.323 1.00 18.16 N ATOM 0 H GLN A 40 -9.723 3.188 -3.589 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.081 4.426 -1.350 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.152 1.539 -2.330 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.018 2.114 -0.919 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.259 3.719 -2.410 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.471 2.978 -3.789 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.193 3.113 -2.043 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.894 1.508 -2.274 1.00 18.16 H new ATOM 639 N GLN A 41 -8.282 3.190 -0.980 1.00 6.52 N ATOM 640 CA GLN A 41 -7.260 2.514 -0.273 1.00 3.87 C ATOM 641 C GLN A 41 -6.440 3.586 0.330 1.00 4.79 C ATOM 642 O GLN A 41 -5.999 4.552 -0.329 1.00 6.34 O ATOM 643 CB GLN A 41 -6.334 1.698 -1.233 1.00 4.20 C ATOM 644 CG GLN A 41 -7.056 0.515 -1.983 1.00 3.20 C ATOM 645 CD GLN A 41 -6.050 -0.260 -2.772 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.982 -0.644 -2.333 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.528 -0.662 -4.007 1.00 7.13 N ATOM 0 H GLN A 41 -7.949 3.856 -1.677 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.693 1.819 0.447 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.910 2.377 -1.973 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.501 1.293 -0.658 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.552 -0.137 -1.264 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.829 0.907 -2.644 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.428 -0.319 -4.342 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.980 -1.302 -4.582 1.00 7.13 H new ATOM 656 N ARG A 42 -6.166 3.502 1.646 1.00 5.73 N ATOM 657 CA ARG A 42 -5.200 4.364 2.324 1.00 6.97 C ATOM 658 C ARG A 42 -4.079 3.510 2.841 1.00 7.15 C ATOM 659 O ARG A 42 -4.380 2.406 3.321 1.00 7.33 O ATOM 660 CB ARG A 42 -5.925 5.237 3.501 1.00 13.23 C ATOM 661 CG ARG A 42 -6.393 6.585 3.007 1.00 21.27 C ATOM 662 CD ARG A 42 -7.093 7.445 4.024 1.00 26.14 C ATOM 663 NE ARG A 42 -7.530 8.726 3.410 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.214 9.678 4.154 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.945 9.360 5.250 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.115 10.936 3.778 1.00 36.39 N ATOM 0 H ARG A 42 -6.615 2.828 2.265 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.784 5.090 1.626 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.776 4.680 3.892 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.229 5.377 4.328 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.530 7.132 2.628 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.067 6.429 2.165 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.956 6.914 4.425 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.425 7.646 4.861 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.324 8.908 2.428 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.008 8.389 5.557 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.432 10.091 5.768 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.550 11.182 2.965 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.603 11.664 4.300 1.00 36.39 H new ATOM 680 N LEU A 43 -2.844 3.967 2.750 1.00 4.65 N ATOM 681 CA LEU A 43 -1.729 3.158 3.152 1.00 3.51 C ATOM 682 C LEU A 43 -1.017 3.815 4.302 1.00 5.56 C ATOM 683 O LEU A 43 -0.563 4.946 4.330 1.00 4.19 O ATOM 684 CB LEU A 43 -0.749 2.872 1.978 1.00 3.74 C ATOM 685 CG LEU A 43 -1.148 1.689 1.075 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.125 1.369 -0.104 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.459 0.436 1.895 1.00 6.41 C ATOM 0 H LEU A 43 -2.597 4.893 2.401 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.116 2.190 3.472 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.669 3.769 1.364 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.242 2.678 2.389 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.059 2.019 0.576 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.491 0.522 -0.684 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.033 2.240 -0.753 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.851 1.126 0.317 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.737 -0.378 1.225 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.578 0.149 2.469 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.284 0.643 2.576 1.00 6.41 H new ATOM 699 N ILE A 44 -0.806 2.991 5.357 1.00 4.58 N ATOM 700 CA ILE A 44 -0.128 3.355 6.575 1.00 5.55 C ATOM 701 C ILE A 44 1.135 2.434 6.779 1.00 5.46 C ATOM 702 O ILE A 44 1.059 1.209 6.993 1.00 6.04 O ATOM 703 CB ILE A 44 -1.007 3.323 7.834 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.487 3.689 7.594 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.296 4.147 8.863 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.667 5.151 7.277 1.00 13.90 C ATOM 0 H ILE A 44 -1.125 2.022 5.359 1.00 4.58 H new ATOM 0 HA ILE A 44 0.166 4.397 6.449 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.118 2.302 8.198 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.879 3.090 6.772 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.070 3.436 8.479 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.878 4.160 9.784 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.685 3.716 9.060 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.177 5.166 8.495 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.724 5.361 7.116 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.300 5.752 8.109 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.106 5.400 6.376 1.00 13.90 H new ATOM 718 N PHE A 45 2.299 3.042 6.808 1.00 6.75 N ATOM 719 CA PHE A 45 3.573 2.341 7.158 1.00 4.70 C ATOM 720 C PHE A 45 4.340 3.365 8.016 1.00 6.34 C ATOM 721 O PHE A 45 4.413 4.537 7.665 1.00 5.45 O ATOM 722 CB PHE A 45 4.404 1.855 5.932 1.00 5.51 C ATOM 723 CG PHE A 45 5.812 1.304 6.266 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.950 0.190 7.036 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.959 1.935 5.825 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.148 -0.317 7.370 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.242 1.452 6.175 1.00 6.64 C ATOM 728 CZ PHE A 45 8.311 0.356 7.000 1.00 6.84 C ATOM 0 H PHE A 45 2.419 4.032 6.595 1.00 6.75 H new ATOM 0 HA PHE A 45 3.370 1.408 7.684 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.840 1.078 5.416 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.513 2.686 5.235 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.060 -0.306 7.393 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.875 2.813 5.202 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.210 -1.243 7.923 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.138 1.929 5.806 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.269 0.015 7.363 1.00 6.84 H new ATOM 738 N ALA A 46 4.834 2.946 9.254 1.00 6.53 N ATOM 739 CA ALA A 46 5.450 3.662 10.394 1.00 7.15 C ATOM 740 C ALA A 46 4.601 4.723 10.980 1.00 9.00 C ATOM 741 O ALA A 46 4.997 5.812 11.336 1.00 11.15 O ATOM 742 CB ALA A 46 6.829 4.194 9.931 1.00 8.99 C ATOM 0 H ALA A 46 4.788 1.951 9.475 1.00 6.53 H new ATOM 0 HA ALA A 46 5.572 2.957 11.216 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.308 4.727 10.752 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.458 3.358 9.626 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.693 4.872 9.088 1.00 8.99 H new ATOM 748 N GLY A 47 3.286 4.447 11.098 1.00 9.35 N ATOM 749 CA GLY A 47 2.251 5.399 11.552 1.00 11.68 C ATOM 750 C GLY A 47 1.954 6.480 10.513 1.00 11.14 C ATOM 751 O GLY A 47 1.099 7.312 10.706 1.00 13.93 O ATOM 0 H GLY A 47 2.904 3.528 10.873 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.334 4.854 11.777 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.577 5.870 12.479 1.00 11.68 H new ATOM 755 N LYS A 48 2.715 6.555 9.399 1.00 10.47 N ATOM 756 CA LYS A 48 2.637 7.591 8.364 1.00 8.82 C ATOM 757 C LYS A 48 1.716 7.217 7.203 1.00 7.68 C ATOM 758 O LYS A 48 1.868 6.171 6.570 1.00 6.47 O ATOM 759 CB LYS A 48 4.073 7.931 7.774 1.00 9.74 C ATOM 760 CG LYS A 48 5.197 8.146 8.795 1.00 14.14 C ATOM 761 CD LYS A 48 5.005 9.409 9.670 1.00 16.32 C ATOM 762 CE LYS A 48 6.057 9.629 10.780 1.00 20.04 C ATOM 763 NZ LYS A 48 5.671 10.833 11.592 1.00 23.92 N ATOM 0 H LYS A 48 3.432 5.859 9.194 1.00 10.47 H new ATOM 0 HA LYS A 48 2.218 8.463 8.867 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.368 7.122 7.106 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.988 8.831 7.165 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.261 7.272 9.443 1.00 14.14 H new ATOM 0 HG3 LYS A 48 6.147 8.221 8.267 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.006 10.282 9.018 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.020 9.359 10.135 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.119 8.748 11.419 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.044 9.773 10.340 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.376 10.987 12.341 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.633 11.670 10.976 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.737 10.677 12.022 1.00 23.92 H new ATOM 777 N GLN A 49 0.722 8.100 6.930 1.00 8.89 N ATOM 778 CA GLN A 49 -0.223 7.967 5.881 1.00 7.18 C ATOM 779 C GLN A 49 0.532 8.344 4.617 1.00 8.23 C ATOM 780 O GLN A 49 0.852 9.529 4.357 1.00 9.70 O ATOM 781 CB GLN A 49 -1.510 8.812 6.119 1.00 11.67 C ATOM 782 CG GLN A 49 -2.665 8.362 5.220 1.00 15.82 C ATOM 783 CD GLN A 49 -3.827 9.290 5.413 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.827 8.992 6.053 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.780 10.431 4.734 1.00 20.67 N ATOM 0 H GLN A 49 0.583 8.948 7.480 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.610 6.951 5.811 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.810 8.729 7.164 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.293 9.864 5.932 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.352 8.364 4.176 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.955 7.340 5.464 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.944 10.674 4.202 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.580 11.064 4.744 1.00 20.67 H new ATOM 794 N LEU A 50 0.803 7.360 3.707 1.00 6.51 N ATOM 795 CA LEU A 50 1.647 7.528 2.548 1.00 7.41 C ATOM 796 C LEU A 50 0.941 8.289 1.485 1.00 8.27 C ATOM 797 O LEU A 50 -0.304 8.198 1.319 1.00 8.34 O ATOM 798 CB LEU A 50 2.146 6.208 2.024 1.00 7.13 C ATOM 799 CG LEU A 50 2.628 5.167 3.044 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.105 3.834 2.359 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.742 5.726 3.927 1.00 9.11 C ATOM 0 H LEU A 50 0.418 6.419 3.787 1.00 6.51 H new ATOM 0 HA LEU A 50 2.518 8.104 2.860 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.345 5.756 1.438 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.968 6.410 1.338 1.00 7.13 H new ATOM 0 HG LEU A 50 1.767 4.931 3.669 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.436 3.131 3.123 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.279 3.398 1.797 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.931 4.049 1.681 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.060 4.963 4.638 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.588 6.017 3.305 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.374 6.597 4.470 1.00 9.11 H new ATOM 813 N GLU A 51 1.691 9.121 0.750 1.00 9.43 N ATOM 814 CA GLU A 51 1.078 9.764 -0.435 1.00 11.90 C ATOM 815 C GLU A 51 1.363 8.852 -1.702 1.00 11.49 C ATOM 816 O GLU A 51 2.354 8.129 -1.818 1.00 9.88 O ATOM 817 CB GLU A 51 1.605 11.188 -0.720 1.00 16.56 C ATOM 818 CG GLU A 51 1.603 12.126 0.433 1.00 26.06 C ATOM 819 CD GLU A 51 0.181 12.514 0.826 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.557 13.158 0.007 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.235 12.263 1.985 1.00 33.44 O ATOM 0 H GLU A 51 2.666 9.359 0.932 1.00 9.43 H new ATOM 0 HA GLU A 51 0.013 9.863 -0.227 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.625 11.108 -1.096 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.004 11.623 -1.518 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.104 11.663 1.283 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.170 13.021 0.178 1.00 26.06 H new ATOM 828 N ASP A 52 0.356 8.861 -2.612 1.00 12.71 N ATOM 829 CA ASP A 52 0.254 8.064 -3.780 1.00 16.56 C ATOM 830 C ASP A 52 1.372 8.381 -4.750 1.00 15.83 C ATOM 831 O ASP A 52 1.861 7.462 -5.350 1.00 17.21 O ATOM 832 CB ASP A 52 -1.131 8.449 -4.416 1.00 21.05 C ATOM 833 CG ASP A 52 -2.296 7.815 -3.677 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.466 8.013 -2.452 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.154 7.094 -4.271 1.00 28.37 O ATOM 0 H ASP A 52 -0.445 9.483 -2.506 1.00 12.71 H new ATOM 0 HA ASP A 52 0.328 7.001 -3.548 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.244 9.533 -4.408 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.150 8.134 -5.459 1.00 21.05 H new ATOM 840 N GLY A 53 1.783 9.651 -4.978 1.00 15.00 N ATOM 841 CA GLY A 53 2.703 10.080 -6.019 1.00 11.77 C ATOM 842 C GLY A 53 4.097 10.203 -5.475 1.00 11.10 C ATOM 843 O GLY A 53 4.796 11.152 -5.799 1.00 11.25 O ATOM 0 H GLY A 53 1.457 10.430 -4.405 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.690 9.364 -6.841 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.380 11.038 -6.425 1.00 11.77 H new ATOM 847 N ARG A 54 4.518 9.242 -4.706 1.00 8.53 N ATOM 848 CA ARG A 54 5.821 9.168 -4.057 1.00 9.05 C ATOM 849 C ARG A 54 6.295 7.675 -4.159 1.00 8.96 C ATOM 850 O ARG A 54 5.413 6.775 -4.387 1.00 11.60 O ATOM 851 CB ARG A 54 5.777 9.521 -2.610 1.00 7.97 C ATOM 852 CG ARG A 54 5.257 10.952 -2.270 1.00 9.62 C ATOM 853 CD ARG A 54 6.299 12.023 -2.748 1.00 12.20 C ATOM 854 NE ARG A 54 5.602 13.270 -2.307 1.00 18.23 N ATOM 855 CZ ARG A 54 4.626 13.825 -3.069 1.00 22.08 C ATOM 856 NH1 ARG A 54 4.321 13.555 -4.356 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.969 14.852 -2.486 1.00 23.38 N ATOM 0 H ARG A 54 3.934 8.433 -4.494 1.00 8.53 H new ATOM 0 HA ARG A 54 6.486 9.878 -4.550 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.145 8.795 -2.099 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.781 9.414 -2.200 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.296 11.124 -2.755 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.094 11.044 -1.196 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.273 11.899 -2.274 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.463 11.995 -3.825 1.00 12.20 H new ATOM 0 HE ARG A 54 5.863 13.708 -1.424 1.00 18.23 H new ATOM 0 HH11 ARG A 54 4.856 12.856 -4.871 1.00 25.50 H new ATOM 0 HH12 ARG A 54 3.555 14.050 -4.813 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.223 15.151 -1.544 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.219 15.328 -2.988 1.00 23.38 H new ATOM 871 N THR A 55 7.569 7.350 -4.016 1.00 9.05 N ATOM 872 CA THR A 55 8.001 6.024 -4.154 1.00 9.03 C ATOM 873 C THR A 55 8.183 5.297 -2.814 1.00 8.15 C ATOM 874 O THR A 55 8.229 5.830 -1.705 1.00 5.91 O ATOM 875 CB THR A 55 9.368 5.798 -5.033 1.00 11.15 C ATOM 876 OG1 THR A 55 10.487 6.521 -4.494 1.00 11.95 O ATOM 877 CG2 THR A 55 9.118 6.386 -6.392 1.00 11.71 C ATOM 0 H THR A 55 8.310 8.018 -3.801 1.00 9.05 H new ATOM 0 HA THR A 55 7.172 5.592 -4.715 1.00 9.03 H new ATOM 0 HB THR A 55 9.596 4.732 -5.039 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.186 7.395 -4.169 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.005 6.258 -7.013 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.273 5.879 -6.858 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.895 7.448 -6.293 1.00 11.71 H new ATOM 885 N LEU A 56 8.349 3.997 -2.921 1.00 6.91 N ATOM 886 CA LEU A 56 8.692 3.076 -1.799 1.00 8.29 C ATOM 887 C LEU A 56 10.058 3.431 -1.207 1.00 8.05 C ATOM 888 O LEU A 56 10.162 3.529 0.025 1.00 10.17 O ATOM 889 CB LEU A 56 8.702 1.622 -2.316 1.00 6.60 C ATOM 890 CG LEU A 56 7.250 1.019 -2.423 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.435 1.516 -3.648 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.337 -0.509 -2.497 1.00 8.64 C ATOM 0 H LEU A 56 8.251 3.511 -3.812 1.00 6.91 H new ATOM 0 HA LEU A 56 7.943 3.180 -1.014 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.180 1.589 -3.295 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.302 1.004 -1.647 1.00 6.60 H new ATOM 0 HG LEU A 56 6.724 1.360 -1.531 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.449 1.051 -3.642 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.325 2.599 -3.597 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.958 1.248 -4.566 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.333 -0.927 -2.571 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.916 -0.798 -3.374 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.823 -0.890 -1.599 1.00 8.64 H new ATOM 904 N SER A 57 11.028 3.821 -2.025 1.00 8.92 N ATOM 905 CA SER A 57 12.345 4.369 -1.608 1.00 9.00 C ATOM 906 C SER A 57 12.298 5.715 -0.827 1.00 9.44 C ATOM 907 O SER A 57 13.030 5.826 0.162 1.00 10.91 O ATOM 908 CB SER A 57 13.244 4.405 -2.846 1.00 10.32 C ATOM 909 OG SER A 57 12.776 5.199 -3.967 1.00 13.59 O ATOM 0 H SER A 57 10.931 3.769 -3.039 1.00 8.92 H new ATOM 0 HA SER A 57 12.767 3.703 -0.855 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.222 4.782 -2.546 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.390 3.381 -3.191 1.00 10.32 H new ATOM 0 HG SER A 57 11.868 5.520 -3.784 1.00 13.59 H new ATOM 915 N ASP A 58 11.363 6.672 -1.245 1.00 9.11 N ATOM 916 CA ASP A 58 11.093 7.862 -0.413 1.00 7.91 C ATOM 917 C ASP A 58 10.570 7.531 0.980 1.00 9.12 C ATOM 918 O ASP A 58 10.963 8.020 2.046 1.00 8.61 O ATOM 919 CB ASP A 58 10.074 8.819 -1.077 1.00 8.41 C ATOM 920 CG ASP A 58 10.548 9.300 -2.476 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.705 9.785 -2.568 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.739 9.170 -3.417 1.00 11.70 O ATOM 0 H ASP A 58 10.827 6.620 -2.111 1.00 9.11 H new ATOM 0 HA ASP A 58 12.067 8.343 -0.320 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.113 8.313 -1.175 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.915 9.683 -0.432 1.00 8.41 H new ATOM 927 N TYR A 59 9.631 6.586 1.120 1.00 7.97 N ATOM 928 CA TYR A 59 9.129 6.165 2.418 1.00 8.45 C ATOM 929 C TYR A 59 9.943 5.122 3.148 1.00 10.98 C ATOM 930 O TYR A 59 9.533 4.597 4.192 1.00 12.95 O ATOM 931 CB TYR A 59 7.770 5.571 2.157 1.00 7.94 C ATOM 932 CG TYR A 59 6.823 6.715 1.930 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.610 7.650 3.060 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.244 7.078 0.737 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.731 8.708 2.959 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.208 8.042 0.676 1.00 6.52 C ATOM 937 CZ TYR A 59 5.036 8.877 1.789 1.00 6.76 C ATOM 938 OH TYR A 59 4.236 10.016 1.650 1.00 7.63 O ATOM 0 H TYR A 59 9.204 6.098 0.333 1.00 7.97 H new ATOM 0 HA TYR A 59 9.149 7.044 3.062 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.797 4.915 1.287 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.446 4.965 3.003 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.154 7.500 3.981 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.588 6.616 -0.177 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.593 9.390 3.785 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.575 8.130 -0.194 1.00 6.52 H new ATOM 0 HH TYR A 59 4.284 10.339 0.726 1.00 7.63 H new ATOM 948 N ASN A 60 11.125 4.838 2.581 1.00 12.38 N ATOM 949 CA ASN A 60 12.096 3.877 2.993 1.00 13.94 C ATOM 950 C ASN A 60 11.500 2.463 3.336 1.00 14.16 C ATOM 951 O ASN A 60 11.729 1.888 4.411 1.00 14.26 O ATOM 952 CB ASN A 60 12.885 4.415 4.277 1.00 19.23 C ATOM 953 CG ASN A 60 13.459 5.753 3.887 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.971 6.760 4.404 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.655 5.815 3.247 1.00 24.09 N ATOM 0 H ASN A 60 11.431 5.336 1.745 1.00 12.38 H new ATOM 0 HA ASN A 60 12.759 3.748 2.137 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.216 4.513 5.132 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.675 3.722 4.567 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.158 6.701 3.191 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.050 4.976 2.822 1.00 24.09 H new ATOM 962 N ILE A 61 10.784 1.866 2.369 1.00 11.08 N ATOM 963 CA ILE A 61 10.145 0.636 2.522 1.00 11.78 C ATOM 964 C ILE A 61 11.271 -0.356 2.080 1.00 13.74 C ATOM 965 O ILE A 61 12.039 -0.086 1.119 1.00 14.60 O ATOM 966 CB ILE A 61 8.815 0.584 1.760 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.766 1.391 2.523 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.400 -0.883 1.446 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.373 1.600 1.807 1.00 11.42 C ATOM 0 H ILE A 61 10.656 2.276 1.444 1.00 11.08 H new ATOM 0 HA ILE A 61 9.794 0.394 3.525 1.00 11.78 H new ATOM 0 HB ILE A 61 8.921 1.052 0.781 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.587 0.899 3.479 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.186 2.372 2.744 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.453 -0.886 0.906 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.168 -1.356 0.834 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.287 -1.437 2.378 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.718 2.187 2.450 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.524 2.127 0.865 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.915 0.630 1.611 1.00 11.42 H new ATOM 981 N GLN A 62 11.415 -1.483 2.857 1.00 13.97 N ATOM 982 CA GLN A 62 12.448 -2.501 2.754 1.00 15.52 C ATOM 983 C GLN A 62 11.709 -3.796 2.474 1.00 13.94 C ATOM 984 O GLN A 62 10.498 -3.927 2.631 1.00 12.15 O ATOM 985 CB GLN A 62 13.106 -2.556 4.171 1.00 19.53 C ATOM 986 CG GLN A 62 14.263 -3.612 4.378 1.00 26.38 C ATOM 987 CD GLN A 62 14.651 -3.582 5.848 1.00 30.61 C ATOM 988 OE1 GLN A 62 13.883 -3.912 6.775 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.907 -3.064 6.115 1.00 32.71 N ATOM 0 H GLN A 62 10.757 -1.689 3.609 1.00 13.97 H new ATOM 0 HA GLN A 62 13.200 -2.318 1.986 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.504 -1.567 4.400 1.00 19.53 H new ATOM 0 HB3 GLN A 62 12.323 -2.762 4.901 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.929 -4.609 4.090 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.120 -3.370 3.750 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.523 -2.799 5.347 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.216 -2.948 7.080 1.00 32.71 H new ATOM 998 N LYS A 63 12.467 -4.814 1.934 1.00 11.73 N ATOM 999 CA LYS A 63 12.062 -6.202 1.809 1.00 11.97 C ATOM 1000 C LYS A 63 11.337 -6.719 3.102 1.00 10.41 C ATOM 1001 O LYS A 63 11.833 -6.439 4.209 1.00 9.59 O ATOM 1002 CB LYS A 63 13.100 -7.148 1.267 1.00 13.73 C ATOM 1003 CG LYS A 63 14.237 -7.464 2.300 1.00 16.98 C ATOM 1004 CD LYS A 63 15.295 -8.287 1.587 1.00 20.19 C ATOM 1005 CE LYS A 63 16.466 -8.722 2.392 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.025 -9.659 3.433 1.00 25.97 N ATOM 0 H LYS A 63 13.406 -4.649 1.570 1.00 11.73 H new ATOM 0 HA LYS A 63 11.323 -6.200 1.008 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.616 -8.079 0.971 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.542 -6.718 0.368 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.668 -6.541 2.688 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.837 -8.012 3.153 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.815 -9.177 1.179 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.662 -7.707 0.741 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.206 -9.199 1.749 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.949 -7.857 2.847 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.854 -10.028 3.941 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.400 -9.166 4.102 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.508 -10.448 2.994 1.00 25.97 H new ATOM 1020 N GLU A 64 10.195 -7.425 2.995 1.00 10.04 N ATOM 1021 CA GLU A 64 9.434 -8.065 4.078 1.00 10.94 C ATOM 1022 C GLU A 64 8.759 -7.110 5.037 1.00 9.74 C ATOM 1023 O GLU A 64 8.359 -7.469 6.174 1.00 9.42 O ATOM 1024 CB GLU A 64 10.371 -9.024 4.899 1.00 18.31 C ATOM 1025 CG GLU A 64 11.009 -10.114 4.000 1.00 24.16 C ATOM 1026 CD GLU A 64 11.779 -11.124 4.840 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.403 -11.376 6.010 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.738 -11.721 4.333 1.00 32.61 O ATOM 0 H GLU A 64 9.753 -7.571 2.088 1.00 10.04 H new ATOM 0 HA GLU A 64 8.636 -8.611 3.576 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.158 -8.441 5.378 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.797 -9.499 5.695 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.231 -10.624 3.432 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.679 -9.649 3.277 1.00 24.16 H new ATOM 1035 N SER A 65 8.570 -5.821 4.612 1.00 6.85 N ATOM 1036 CA SER A 65 7.853 -4.817 5.379 1.00 6.90 C ATOM 1037 C SER A 65 6.338 -5.092 5.452 1.00 4.72 C ATOM 1038 O SER A 65 5.894 -5.782 4.572 1.00 3.91 O ATOM 1039 CB SER A 65 8.059 -3.418 4.790 1.00 7.28 C ATOM 1040 OG SER A 65 9.432 -3.068 4.864 1.00 10.56 O ATOM 0 H SER A 65 8.923 -5.475 3.720 1.00 6.85 H new ATOM 0 HA SER A 65 8.266 -4.868 6.386 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.723 -3.396 3.753 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.458 -2.691 5.336 1.00 7.28 H new ATOM 0 HG SER A 65 9.953 -3.664 4.286 1.00 10.56 H new ATOM 1046 N THR A 66 5.654 -4.580 6.501 1.00 4.48 N ATOM 1047 CA THR A 66 4.199 -4.837 6.693 1.00 3.80 C ATOM 1048 C THR A 66 3.500 -3.537 6.547 1.00 4.60 C ATOM 1049 O THR A 66 3.726 -2.604 7.258 1.00 5.33 O ATOM 1050 CB THR A 66 3.957 -5.356 8.118 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.654 -6.569 8.372 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.516 -5.622 8.170 1.00 3.40 C ATOM 0 H THR A 66 6.075 -3.993 7.221 1.00 4.48 H new ATOM 0 HA THR A 66 3.840 -5.570 5.971 1.00 3.80 H new ATOM 0 HB THR A 66 4.304 -4.634 8.857 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.474 -6.864 9.289 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.251 -5.999 9.158 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.969 -4.700 7.974 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.256 -6.365 7.417 1.00 3.40 H new ATOM 1060 N LEU A 67 2.645 -3.424 5.571 1.00 4.17 N ATOM 1061 CA LEU A 67 1.897 -2.266 5.217 1.00 3.85 C ATOM 1062 C LEU A 67 0.503 -2.449 5.810 1.00 3.80 C ATOM 1063 O LEU A 67 -0.194 -3.350 5.422 1.00 5.54 O ATOM 1064 CB LEU A 67 1.891 -2.136 3.640 1.00 7.18 C ATOM 1065 CG LEU A 67 3.109 -1.268 3.010 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.613 0.194 2.931 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.385 -1.352 3.825 1.00 11.66 C ATOM 0 H LEU A 67 2.441 -4.210 4.954 1.00 4.17 H new ATOM 0 HA LEU A 67 2.322 -1.341 5.607 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.920 -3.137 3.209 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.948 -1.684 3.333 1.00 7.18 H new ATOM 0 HG LEU A 67 3.367 -1.667 2.029 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.399 0.823 2.512 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.730 0.245 2.295 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.360 0.547 3.931 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.160 -0.750 3.351 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.199 -0.977 4.831 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.714 -2.390 3.880 1.00 11.66 H new ATOM 1079 N HIS A 68 0.035 -1.608 6.726 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.359 -1.435 7.006 1.00 4.17 C ATOM 1081 C HIS A 68 -2.225 -0.815 5.942 1.00 5.32 C ATOM 1082 O HIS A 68 -1.977 0.329 5.551 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.512 -0.659 8.288 1.00 5.57 C ATOM 1084 CG HIS A 68 -2.906 -0.585 8.945 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -3.700 -1.668 9.315 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -3.682 0.508 9.204 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -4.853 -1.183 9.767 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -4.939 0.128 9.662 1.00 16.30 N ATOM 0 H HIS A 68 0.640 -1.021 7.300 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.735 -2.456 7.071 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.825 -1.087 9.018 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.181 0.362 8.098 1.00 5.57 H new ATOM 0 HD1 HIS A 68 -3.444 -2.653 9.251 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -3.362 1.531 9.071 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -5.638 -1.800 10.178 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.251 -1.542 5.425 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.147 -1.133 4.452 1.00 3.97 C ATOM 1098 C LEU A 69 -5.421 -0.758 5.079 1.00 5.07 C ATOM 1099 O LEU A 69 -6.258 -1.640 5.387 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.313 -2.194 3.381 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.320 -1.973 2.277 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.902 -0.795 1.322 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.372 -3.206 1.414 1.00 9.96 C ATOM 0 H LEU A 69 -3.438 -2.494 5.740 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.754 -0.251 3.947 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.340 -2.343 2.913 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.573 -3.127 3.881 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.273 -1.744 2.754 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.655 -0.673 0.544 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.821 0.128 1.897 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.940 -1.023 0.863 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.096 -3.059 0.613 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.388 -3.391 0.984 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.670 -4.062 2.020 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.705 0.549 5.109 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.952 1.177 5.615 1.00 6.26 C ATOM 1117 C VAL A 70 -7.944 1.289 4.425 1.00 9.22 C ATOM 1118 O VAL A 70 -7.779 2.017 3.421 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.684 2.536 6.174 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.050 3.279 6.441 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.911 2.288 7.439 1.00 8.54 C ATOM 0 H VAL A 70 -5.042 1.243 4.765 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.368 0.566 6.416 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.120 3.178 5.497 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.851 4.270 6.849 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.601 3.375 5.505 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.643 2.706 7.154 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.674 3.240 7.913 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.511 1.684 8.119 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.987 1.760 7.203 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.005 0.508 4.494 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.966 0.501 3.473 1.00 16.06 C ATOM 1133 C LEU A 71 -11.162 1.395 3.762 1.00 18.09 C ATOM 1134 O LEU A 71 -11.922 1.155 4.690 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.551 -0.895 3.222 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.463 -1.824 2.665 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -9.915 -3.311 2.673 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.025 -1.443 1.245 1.00 19.57 C ATOM 0 H LEU A 71 -9.201 -0.128 5.267 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.413 0.865 2.607 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.951 -1.304 4.150 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.381 -0.830 2.519 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.610 -1.701 3.332 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.117 -3.936 2.271 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.137 -3.618 3.695 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.808 -3.423 2.058 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.255 -2.135 0.904 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.882 -1.495 0.574 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.627 -0.428 1.247 1.00 19.57 H new