USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -20:sc= 2.34 USER MOD Set 1.2: A 57 SER OG : rot -23:sc= 1.25 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.198 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.0195 K(o=0.18,f=-2.6!) 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 Set 4.1: A 6 LYS NZ :NH3+ -125:sc= 1.47 (180deg=-0.28) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0.282 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 2.41 (180deg=2.27) USER MOD Single : A 2 GLN : amide:sc= -1.56 K(o=-1.6,f=-2.8!) USER MOD Single : A 11 LYS NZ :NH3+ -117:sc= 0.729 (180deg=-0.776!) USER MOD Single : A 14 THR OG1 : rot -63:sc= 0.00097 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.04 (180deg=-0.161!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.2) USER MOD Single : A 33 LYS NZ :NH3+ -131:sc= 0.306 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 41 GLN : amide:sc= 1.08 K(o=1.1,f=-5.3!) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.11 (180deg=-0.504) USER MOD Single : A 49 GLN : amide:sc= 0.0564 K(o=0.056,f=-4.9!) USER MOD Single : A 59 TYR OH : rot 150:sc= 0.52 USER MOD Single : A 60 ASN : amide:sc=-0.00544 X(o=-0.0054,f=-0.11) USER MOD Single : A 62 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.015) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.307 K(o=-0.31,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.184 -6.962 -5.223 1.00 9.67 N ATOM 2 CA MET A 1 11.112 -7.366 -3.779 1.00 10.38 C ATOM 3 C MET A 1 9.728 -7.690 -3.289 1.00 9.62 C ATOM 4 O MET A 1 8.697 -7.176 -3.730 1.00 9.62 O ATOM 5 CB MET A 1 11.752 -6.300 -2.857 1.00 13.77 C ATOM 6 CG MET A 1 10.948 -5.128 -2.363 1.00 16.29 C ATOM 7 SD MET A 1 11.903 -3.679 -2.009 1.00 17.17 S ATOM 8 CE MET A 1 10.509 -2.606 -1.478 1.00 16.11 C ATOM 0 H1 MET A 1 12.177 -6.806 -5.491 1.00 9.67 H new ATOM 0 H2 MET A 1 10.780 -7.716 -5.815 1.00 9.67 H new ATOM 0 H3 MET A 1 10.645 -6.084 -5.365 1.00 9.67 H new ATOM 0 HA MET A 1 11.685 -8.292 -3.729 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.131 -6.822 -1.978 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.616 -5.896 -3.385 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.196 -4.878 -3.111 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.413 -5.425 -1.461 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.891 -1.623 -1.204 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.797 -2.503 -2.297 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.011 -3.055 -0.618 1.00 16.11 H new ATOM 20 N GLN A 2 9.665 -8.609 -2.244 1.00 9.27 N ATOM 21 CA GLN A 2 8.483 -9.089 -1.536 1.00 9.07 C ATOM 22 C GLN A 2 8.146 -8.084 -0.408 1.00 8.72 C ATOM 23 O GLN A 2 9.003 -7.787 0.404 1.00 8.22 O ATOM 24 CB GLN A 2 8.599 -10.527 -0.868 1.00 14.46 C ATOM 25 CG GLN A 2 7.333 -10.972 0.028 1.00 17.01 C ATOM 26 CD GLN A 2 7.441 -12.418 0.436 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.592 -13.282 0.130 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.637 -12.801 1.016 1.00 19.49 N ATOM 0 H GLN A 2 10.515 -9.039 -1.879 1.00 9.27 H new ATOM 0 HA GLN A 2 7.714 -9.174 -2.303 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.744 -11.266 -1.656 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.492 -10.549 -0.243 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.273 -10.343 0.916 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.412 -10.817 -0.535 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.331 -12.097 1.266 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.825 -13.788 1.193 1.00 19.49 H new ATOM 37 N ILE A 3 6.905 -7.634 -0.312 1.00 5.87 N ATOM 38 CA ILE A 3 6.327 -6.854 0.820 1.00 5.07 C ATOM 39 C ILE A 3 4.970 -7.447 1.249 1.00 4.01 C ATOM 40 O ILE A 3 4.288 -8.070 0.429 1.00 4.61 O ATOM 41 CB ILE A 3 6.293 -5.372 0.577 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.111 -5.047 -0.426 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.670 -4.904 0.190 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.649 -3.592 -0.538 1.00 10.83 C ATOM 0 H ILE A 3 6.221 -7.801 -1.050 1.00 5.87 H new ATOM 0 HA ILE A 3 7.006 -6.958 1.667 1.00 5.07 H new ATOM 0 HB ILE A 3 6.058 -4.795 1.471 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.414 -5.380 -1.419 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.251 -5.650 -0.136 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.652 -3.829 0.012 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.370 -5.127 0.995 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.987 -5.417 -0.718 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.836 -3.523 -1.261 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.300 -3.245 0.435 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.481 -2.970 -0.868 1.00 10.83 H new ATOM 56 N PHE A 4 4.573 -7.214 2.522 1.00 4.55 N ATOM 57 CA PHE A 4 3.390 -7.714 3.003 1.00 4.68 C ATOM 58 C PHE A 4 2.488 -6.559 3.351 1.00 5.30 C ATOM 59 O PHE A 4 2.894 -5.648 4.089 1.00 5.58 O ATOM 60 CB PHE A 4 3.628 -8.617 4.230 1.00 4.83 C ATOM 61 CG PHE A 4 4.541 -9.716 3.774 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.953 -10.806 3.142 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.855 -9.736 4.214 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.782 -11.957 2.924 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.615 -10.918 4.036 1.00 10.61 C ATOM 66 CZ PHE A 4 6.093 -11.971 3.351 1.00 8.90 C ATOM 0 H PHE A 4 5.107 -6.667 3.197 1.00 4.55 H new ATOM 0 HA PHE A 4 2.917 -8.331 2.239 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.077 -8.052 5.047 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.687 -9.023 4.602 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.919 -10.787 2.829 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.291 -8.867 4.684 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.375 -12.821 2.420 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.612 -10.983 4.445 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.713 -12.829 3.139 1.00 8.90 H new ATOM 76 N VAL A 5 1.205 -6.562 2.921 1.00 4.44 N ATOM 77 CA VAL A 5 0.274 -5.532 3.302 1.00 3.87 C ATOM 78 C VAL A 5 -0.811 -6.280 4.162 1.00 4.93 C ATOM 79 O VAL A 5 -1.226 -7.383 3.784 1.00 6.84 O ATOM 80 CB VAL A 5 -0.353 -4.930 2.029 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.655 -4.167 2.259 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.797 -4.085 1.346 1.00 9.13 C ATOM 0 H VAL A 5 0.812 -7.278 2.309 1.00 4.44 H new ATOM 0 HA VAL A 5 0.733 -4.715 3.858 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.697 -5.719 1.361 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.022 -3.780 1.309 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.399 -4.838 2.689 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.475 -3.338 2.943 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.419 -3.628 0.432 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.131 -3.305 2.030 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.635 -4.739 1.104 1.00 9.13 H new ATOM 92 N LYS A 6 -1.203 -5.733 5.277 1.00 6.04 N ATOM 93 CA LYS A 6 -2.236 -6.334 6.102 1.00 6.12 C ATOM 94 C LYS A 6 -3.430 -5.343 6.223 1.00 6.57 C ATOM 95 O LYS A 6 -3.294 -4.212 6.546 1.00 5.76 O ATOM 96 CB LYS A 6 -1.771 -6.523 7.523 1.00 7.45 C ATOM 97 CG LYS A 6 -0.586 -7.515 7.609 1.00 11.12 C ATOM 98 CD LYS A 6 -0.150 -7.803 9.060 1.00 14.54 C ATOM 99 CE LYS A 6 -1.186 -8.458 9.996 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.436 -9.862 9.495 1.00 20.55 N ATOM 0 H LYS A 6 -0.823 -4.862 5.647 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.496 -7.285 5.637 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.472 -5.561 7.939 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.598 -6.890 8.131 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.866 -8.451 7.126 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.261 -7.111 7.054 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.728 -8.448 9.026 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.163 -6.861 9.511 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.816 -8.478 11.021 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.112 -7.884 10.002 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.454 -9.996 9.331 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.919 -10.010 8.605 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.107 -10.548 10.204 1.00 20.55 H new ATOM 114 N THR A 7 -4.625 -5.878 6.024 1.00 7.41 N ATOM 115 CA THR A 7 -5.908 -5.173 6.016 1.00 7.48 C ATOM 116 C THR A 7 -6.397 -4.893 7.439 1.00 8.75 C ATOM 117 O THR A 7 -5.826 -5.351 8.433 1.00 8.58 O ATOM 118 CB THR A 7 -6.993 -5.800 5.164 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.552 -6.893 5.834 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.358 -6.274 3.842 1.00 9.17 C ATOM 0 H THR A 7 -4.737 -6.877 5.853 1.00 7.41 H new ATOM 0 HA THR A 7 -5.696 -4.226 5.520 1.00 7.48 H new ATOM 0 HB THR A 7 -7.779 -5.071 4.966 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.254 -7.293 5.279 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.123 -6.729 3.213 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.921 -5.421 3.322 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.580 -7.007 4.054 1.00 9.17 H new ATOM 128 N LEU A 8 -7.510 -4.198 7.592 1.00 9.84 N ATOM 129 CA LEU A 8 -8.148 -3.929 8.874 1.00 14.15 C ATOM 130 C LEU A 8 -8.506 -5.263 9.625 1.00 17.37 C ATOM 131 O LEU A 8 -8.431 -5.318 10.836 1.00 17.01 O ATOM 132 CB LEU A 8 -9.468 -3.145 8.663 1.00 16.63 C ATOM 133 CG LEU A 8 -10.192 -2.786 10.014 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.253 -2.059 11.000 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.475 -2.000 9.797 1.00 18.59 C ATOM 0 H LEU A 8 -8.013 -3.791 6.804 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.441 -3.348 9.467 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.255 -2.227 8.116 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.141 -3.737 8.043 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.473 -3.737 10.467 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.795 -1.831 11.918 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.402 -2.699 11.231 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.898 -1.132 10.549 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.934 -1.779 10.761 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.247 -1.067 9.281 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.165 -2.590 9.194 1.00 18.59 H new ATOM 147 N THR A 9 -8.886 -6.323 8.899 1.00 18.33 N ATOM 148 CA THR A 9 -9.152 -7.624 9.517 1.00 19.24 C ATOM 149 C THR A 9 -7.897 -8.505 9.589 1.00 19.48 C ATOM 150 O THR A 9 -7.921 -9.698 9.787 1.00 23.14 O ATOM 151 CB THR A 9 -10.286 -8.402 8.857 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.878 -8.755 7.499 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.494 -7.542 8.782 1.00 19.70 C ATOM 0 H THR A 9 -9.015 -6.303 7.887 1.00 18.33 H new ATOM 0 HA THR A 9 -9.473 -7.379 10.529 1.00 19.24 H new ATOM 0 HB THR A 9 -10.507 -9.299 9.436 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.597 -9.258 7.062 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.306 -8.096 8.311 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.793 -7.246 9.788 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.271 -6.653 8.193 1.00 19.70 H new ATOM 161 N GLY A 10 -6.702 -7.914 9.365 1.00 19.43 N ATOM 162 CA GLY A 10 -5.424 -8.546 9.544 1.00 18.74 C ATOM 163 C GLY A 10 -4.950 -9.364 8.330 1.00 17.62 C ATOM 164 O GLY A 10 -3.894 -10.012 8.422 1.00 19.74 O ATOM 0 H GLY A 10 -6.624 -6.949 9.044 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.680 -7.780 9.765 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.474 -9.202 10.413 1.00 18.74 H new ATOM 168 N LYS A 11 -5.698 -9.390 7.244 1.00 13.56 N ATOM 169 CA LYS A 11 -5.479 -10.257 6.104 1.00 11.91 C ATOM 170 C LYS A 11 -4.182 -9.912 5.373 1.00 10.18 C ATOM 171 O LYS A 11 -4.030 -8.889 4.748 1.00 9.10 O ATOM 172 CB LYS A 11 -6.718 -10.229 5.191 1.00 13.43 C ATOM 173 CG LYS A 11 -6.650 -11.189 3.946 1.00 16.69 C ATOM 174 CD LYS A 11 -7.772 -10.734 2.992 1.00 17.92 C ATOM 175 CE LYS A 11 -8.096 -11.707 1.827 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.978 -11.882 0.893 1.00 21.93 N ATOM 0 H LYS A 11 -6.509 -8.782 7.128 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.348 -11.282 6.450 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.594 -10.490 5.785 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.866 -9.209 4.836 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.676 -11.128 3.460 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.791 -12.227 4.246 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.680 -10.579 3.575 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.496 -9.768 2.569 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.372 -12.678 2.239 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.962 -11.334 1.281 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.254 -11.534 -0.048 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.155 -11.345 1.233 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.732 -12.891 0.831 1.00 21.93 H new ATOM 190 N THR A 12 -3.176 -10.799 5.352 1.00 9.63 N ATOM 191 CA THR A 12 -1.858 -10.615 4.876 1.00 9.85 C ATOM 192 C THR A 12 -1.848 -10.824 3.371 1.00 11.66 C ATOM 193 O THR A 12 -1.939 -11.952 2.853 1.00 12.33 O ATOM 194 CB THR A 12 -0.738 -11.502 5.567 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.650 -11.245 6.930 1.00 10.91 O ATOM 196 CG2 THR A 12 0.583 -11.083 4.970 1.00 9.63 C ATOM 0 H THR A 12 -3.311 -11.745 5.710 1.00 9.63 H new ATOM 0 HA THR A 12 -1.586 -9.594 5.145 1.00 9.85 H new ATOM 0 HB THR A 12 -0.978 -12.554 5.413 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.048 -11.809 7.325 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.386 -11.669 5.417 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.566 -11.253 3.893 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.752 -10.025 5.168 1.00 9.63 H new ATOM 204 N ILE A 13 -1.696 -9.751 2.593 1.00 10.42 N ATOM 205 CA ILE A 13 -1.559 -9.673 1.164 1.00 11.84 C ATOM 206 C ILE A 13 -0.059 -9.607 0.848 1.00 10.55 C ATOM 207 O ILE A 13 0.702 -8.876 1.457 1.00 11.92 O ATOM 208 CB ILE A 13 -2.141 -8.372 0.597 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.503 -7.967 1.307 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.358 -8.627 -0.895 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.182 -6.729 0.685 1.00 16.46 C ATOM 0 H ILE A 13 -1.664 -8.821 3.010 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.075 -10.532 0.735 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.461 -7.538 0.772 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.192 -8.810 1.260 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.309 -7.773 2.362 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.774 -7.733 -1.360 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.405 -8.871 -1.365 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.050 -9.459 -1.025 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.106 -6.513 1.222 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.512 -5.872 0.756 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.409 -6.926 -0.363 1.00 16.46 H new ATOM 223 N THR A 14 0.340 -10.423 -0.143 1.00 9.39 N ATOM 224 CA THR A 14 1.731 -10.632 -0.480 1.00 9.63 C ATOM 225 C THR A 14 2.000 -10.031 -1.833 1.00 11.20 C ATOM 226 O THR A 14 1.523 -10.536 -2.856 1.00 11.63 O ATOM 227 CB THR A 14 2.125 -12.119 -0.411 1.00 10.38 C ATOM 228 OG1 THR A 14 1.753 -12.664 0.823 1.00 16.30 O ATOM 229 CG2 THR A 14 3.616 -12.209 -0.531 1.00 11.66 C ATOM 0 H THR A 14 -0.308 -10.952 -0.727 1.00 9.39 H new ATOM 0 HA THR A 14 2.357 -10.131 0.258 1.00 9.63 H new ATOM 0 HB THR A 14 1.625 -12.665 -1.211 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.243 -12.212 1.541 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.922 -13.254 -0.485 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.931 -11.780 -1.482 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.081 -11.658 0.287 1.00 11.66 H new ATOM 237 N LEU A 15 2.797 -8.964 -1.931 1.00 8.29 N ATOM 238 CA LEU A 15 3.082 -8.214 -3.174 1.00 9.03 C ATOM 239 C LEU A 15 4.465 -8.202 -3.698 1.00 8.59 C ATOM 240 O LEU A 15 5.425 -8.289 -2.901 1.00 7.79 O ATOM 241 CB LEU A 15 2.701 -6.740 -3.091 1.00 11.08 C ATOM 242 CG LEU A 15 1.273 -6.508 -2.546 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.026 -4.974 -2.309 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.121 -7.129 -3.398 1.00 15.27 C ATOM 0 H LEU A 15 3.283 -8.578 -1.122 1.00 8.29 H new ATOM 0 HA LEU A 15 2.463 -8.802 -3.852 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.415 -6.223 -2.451 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.781 -6.295 -4.083 1.00 11.08 H new ATOM 0 HG LEU A 15 1.237 -7.050 -1.601 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.017 -4.823 -1.925 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.749 -4.596 -1.586 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.140 -4.437 -3.251 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.838 -6.909 -2.929 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.140 -6.703 -4.401 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.255 -8.209 -3.459 1.00 15.27 H new ATOM 256 N GLU A 16 4.659 -8.204 -5.020 1.00 11.04 N ATOM 257 CA GLU A 16 5.983 -8.087 -5.591 1.00 11.50 C ATOM 258 C GLU A 16 6.061 -6.722 -6.280 1.00 10.13 C ATOM 259 O GLU A 16 5.356 -6.428 -7.249 1.00 9.83 O ATOM 260 CB GLU A 16 6.174 -9.181 -6.723 1.00 17.22 C ATOM 261 CG GLU A 16 7.503 -9.061 -7.530 1.00 23.33 C ATOM 262 CD GLU A 16 8.681 -9.330 -6.670 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.766 -10.418 -6.037 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.615 -8.461 -6.684 1.00 28.90 O ATOM 0 H GLU A 16 3.909 -8.286 -5.706 1.00 11.04 H new ATOM 0 HA GLU A 16 6.736 -8.209 -4.812 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.131 -10.169 -6.265 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.336 -9.115 -7.417 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.490 -9.764 -8.363 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.583 -8.061 -7.957 1.00 23.33 H new ATOM 271 N VAL A 17 7.066 -5.981 -5.757 1.00 8.99 N ATOM 272 CA VAL A 17 7.115 -4.549 -6.052 1.00 8.85 C ATOM 273 C VAL A 17 8.609 -4.208 -6.245 1.00 8.04 C ATOM 274 O VAL A 17 9.455 -4.995 -5.885 1.00 8.99 O ATOM 275 CB VAL A 17 6.591 -3.659 -4.921 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.081 -3.778 -4.860 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.270 -3.962 -3.603 1.00 10.54 C ATOM 0 H VAL A 17 7.813 -6.336 -5.160 1.00 8.99 H new ATOM 0 HA VAL A 17 6.484 -4.360 -6.921 1.00 8.85 H new ATOM 0 HB VAL A 17 6.839 -2.618 -5.130 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.698 -3.148 -4.057 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.652 -3.457 -5.809 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.805 -4.815 -4.670 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.869 -3.308 -2.828 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.088 -5.002 -3.331 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.343 -3.794 -3.699 1.00 10.54 H new ATOM 287 N GLU A 18 8.892 -3.021 -6.738 1.00 7.29 N ATOM 288 CA GLU A 18 10.269 -2.450 -6.654 1.00 7.08 C ATOM 289 C GLU A 18 10.299 -1.357 -5.599 1.00 6.45 C ATOM 290 O GLU A 18 9.286 -0.764 -5.156 1.00 5.28 O ATOM 291 CB GLU A 18 10.794 -2.052 -8.114 1.00 10.28 C ATOM 292 CG GLU A 18 10.904 -3.234 -9.067 1.00 12.65 C ATOM 293 CD GLU A 18 11.638 -4.471 -8.513 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.732 -4.254 -7.831 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.242 -5.609 -8.832 1.00 14.33 O ATOM 0 H GLU A 18 8.212 -2.418 -7.201 1.00 7.29 H new ATOM 0 HA GLU A 18 10.993 -3.188 -6.309 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.119 -1.311 -8.544 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.771 -1.578 -8.023 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.899 -3.533 -9.364 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.418 -2.903 -9.970 1.00 12.65 H new ATOM 302 N PRO A 19 11.509 -0.939 -5.117 1.00 7.24 N ATOM 303 CA PRO A 19 11.669 0.307 -4.415 1.00 7.07 C ATOM 304 C PRO A 19 11.190 1.563 -5.169 1.00 6.65 C ATOM 305 O PRO A 19 10.890 2.500 -4.496 1.00 6.37 O ATOM 306 CB PRO A 19 13.182 0.332 -4.087 1.00 7.61 C ATOM 307 CG PRO A 19 13.691 -1.071 -4.149 1.00 8.16 C ATOM 308 CD PRO A 19 12.739 -1.723 -5.236 1.00 7.49 C ATOM 0 HA PRO A 19 11.029 0.347 -3.533 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.716 0.963 -4.798 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.350 0.755 -3.097 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.738 -1.112 -4.448 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.615 -1.575 -3.186 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.165 -1.655 -6.237 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.564 -2.780 -5.036 1.00 7.49 H new ATOM 316 N SER A 20 11.180 1.653 -6.524 1.00 6.80 N ATOM 317 CA SER A 20 10.757 2.703 -7.368 1.00 6.28 C ATOM 318 C SER A 20 9.406 2.430 -7.963 1.00 8.45 C ATOM 319 O SER A 20 9.058 3.088 -8.971 1.00 7.26 O ATOM 320 CB SER A 20 11.710 2.984 -8.541 1.00 8.57 C ATOM 321 OG SER A 20 11.912 1.819 -9.329 1.00 11.13 O ATOM 0 H SER A 20 11.520 0.869 -7.080 1.00 6.80 H new ATOM 0 HA SER A 20 10.734 3.572 -6.711 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.301 3.780 -9.163 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.667 3.338 -8.159 1.00 8.57 H new ATOM 0 HG SER A 20 12.520 2.026 -10.069 1.00 11.13 H new ATOM 327 N ASP A 21 8.624 1.522 -7.345 1.00 7.50 N ATOM 328 CA ASP A 21 7.204 1.549 -7.495 1.00 7.70 C ATOM 329 C ASP A 21 6.608 2.637 -6.577 1.00 7.08 C ATOM 330 O ASP A 21 7.137 2.857 -5.465 1.00 8.11 O ATOM 331 CB ASP A 21 6.536 0.166 -7.182 1.00 11.00 C ATOM 332 CG ASP A 21 6.608 -0.737 -8.293 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.617 -0.273 -9.459 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.775 -1.996 -8.105 1.00 14.36 O ATOM 0 H ASP A 21 8.975 0.775 -6.746 1.00 7.50 H new ATOM 0 HA ASP A 21 6.993 1.777 -8.540 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.026 -0.284 -6.318 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.492 0.322 -6.911 1.00 11.00 H new ATOM 339 N THR A 22 5.590 3.415 -7.068 1.00 5.37 N ATOM 340 CA THR A 22 4.895 4.448 -6.283 1.00 6.01 C ATOM 341 C THR A 22 3.854 3.767 -5.383 1.00 8.01 C ATOM 342 O THR A 22 3.387 2.607 -5.608 1.00 8.11 O ATOM 343 CB THR A 22 4.180 5.491 -7.188 1.00 8.92 C ATOM 344 OG1 THR A 22 3.281 4.835 -8.050 1.00 10.22 O ATOM 345 CG2 THR A 22 5.252 6.150 -8.119 1.00 9.65 C ATOM 0 H THR A 22 5.241 3.330 -8.023 1.00 5.37 H new ATOM 0 HA THR A 22 5.640 4.979 -5.691 1.00 6.01 H new ATOM 0 HB THR A 22 3.668 6.216 -6.555 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.831 5.495 -8.618 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.771 6.886 -8.763 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.010 6.641 -7.510 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.722 5.382 -8.733 1.00 9.65 H new ATOM 353 N ILE A 23 3.373 4.443 -4.345 1.00 8.32 N ATOM 354 CA ILE A 23 2.311 4.072 -3.563 1.00 9.92 C ATOM 355 C ILE A 23 1.026 3.822 -4.375 1.00 10.01 C ATOM 356 O ILE A 23 0.283 2.915 -4.067 1.00 8.71 O ATOM 357 CB ILE A 23 2.105 5.063 -2.475 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.432 5.268 -1.598 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.919 4.620 -1.558 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.926 4.097 -0.861 1.00 12.30 C ATOM 0 H ILE A 23 3.783 5.328 -4.046 1.00 8.32 H new ATOM 0 HA ILE A 23 2.556 3.111 -3.110 1.00 9.92 H new ATOM 0 HB ILE A 23 1.864 6.018 -2.941 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.227 5.613 -2.260 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.245 6.067 -0.881 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.778 5.354 -0.765 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.008 4.548 -2.151 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.143 3.649 -1.117 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.826 4.368 -0.309 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.161 3.757 -0.163 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.158 3.296 -1.563 1.00 12.30 H new ATOM 372 N GLU A 24 0.808 4.592 -5.425 1.00 9.54 N ATOM 373 CA GLU A 24 -0.188 4.418 -6.504 1.00 11.81 C ATOM 374 C GLU A 24 -0.024 3.091 -7.270 1.00 11.14 C ATOM 375 O GLU A 24 -0.998 2.433 -7.651 1.00 10.62 O ATOM 376 CB GLU A 24 -0.155 5.622 -7.414 1.00 19.24 C ATOM 377 CG GLU A 24 -1.242 5.486 -8.562 1.00 27.76 C ATOM 378 CD GLU A 24 -1.317 6.843 -9.249 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.376 7.188 -9.983 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.321 7.581 -9.060 1.00 36.51 O ATOM 0 H GLU A 24 1.365 5.434 -5.572 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.176 4.351 -6.048 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.341 6.527 -6.835 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.837 5.724 -7.855 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.962 4.707 -9.271 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.211 5.207 -8.148 1.00 27.76 H new ATOM 387 N ASN A 25 1.221 2.645 -7.537 1.00 9.43 N ATOM 388 CA ASN A 25 1.538 1.335 -8.103 1.00 10.96 C ATOM 389 C ASN A 25 1.276 0.251 -7.149 1.00 9.68 C ATOM 390 O ASN A 25 0.732 -0.799 -7.503 1.00 9.33 O ATOM 391 CB ASN A 25 3.000 1.172 -8.587 1.00 16.78 C ATOM 392 CG ASN A 25 3.330 1.993 -9.830 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.402 2.585 -9.879 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.496 2.009 -10.889 1.00 24.70 N ATOM 0 H ASN A 25 2.051 3.209 -7.356 1.00 9.43 H new ATOM 0 HA ASN A 25 0.881 1.272 -8.971 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.674 1.462 -7.781 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.189 0.119 -8.797 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.756 2.515 -11.735 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.605 1.515 -10.844 1.00 24.70 H new ATOM 401 N VAL A 26 1.538 0.405 -5.822 1.00 6.52 N ATOM 402 CA VAL A 26 1.257 -0.650 -4.794 1.00 5.53 C ATOM 403 C VAL A 26 -0.268 -0.822 -4.638 1.00 4.42 C ATOM 404 O VAL A 26 -0.737 -1.963 -4.595 1.00 3.40 O ATOM 405 CB VAL A 26 1.928 -0.243 -3.440 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.693 -1.277 -2.300 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.460 -0.158 -3.585 1.00 8.12 C ATOM 0 H VAL A 26 1.946 1.254 -5.432 1.00 6.52 H new ATOM 0 HA VAL A 26 1.675 -1.606 -5.109 1.00 5.53 H new ATOM 0 HB VAL A 26 1.471 0.715 -3.190 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.185 -0.933 -1.390 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.623 -1.381 -2.118 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.106 -2.242 -2.593 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.901 0.127 -2.630 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.851 -1.129 -3.890 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.713 0.588 -4.338 1.00 8.12 H new ATOM 417 N LYS A 27 -1.037 0.316 -4.723 1.00 2.64 N ATOM 418 CA LYS A 27 -2.485 0.216 -4.876 1.00 4.14 C ATOM 419 C LYS A 27 -2.940 -0.581 -6.159 1.00 5.58 C ATOM 420 O LYS A 27 -3.791 -1.453 -6.014 1.00 4.11 O ATOM 421 CB LYS A 27 -3.154 1.619 -4.803 1.00 3.97 C ATOM 422 CG LYS A 27 -2.888 2.406 -3.454 1.00 7.45 C ATOM 423 CD LYS A 27 -3.505 3.814 -3.400 1.00 9.02 C ATOM 424 CE LYS A 27 -3.077 4.492 -2.101 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.699 5.843 -1.912 1.00 15.47 N ATOM 0 H LYS A 27 -0.671 1.267 -4.687 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.835 -0.378 -4.031 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.795 2.222 -5.637 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.230 1.502 -4.934 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.281 1.820 -2.623 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.812 2.490 -3.304 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.178 4.402 -4.258 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.592 3.751 -3.452 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.345 3.854 -1.259 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.992 4.593 -2.091 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.122 6.401 -1.251 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.749 6.334 -2.828 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.658 5.733 -1.526 1.00 15.47 H new ATOM 439 N ALA A 28 -2.347 -0.405 -7.340 1.00 6.61 N ATOM 440 CA ALA A 28 -2.621 -1.214 -8.469 1.00 7.74 C ATOM 441 C ALA A 28 -2.312 -2.713 -8.278 1.00 9.17 C ATOM 442 O ALA A 28 -3.095 -3.485 -8.734 1.00 11.45 O ATOM 443 CB ALA A 28 -1.734 -0.745 -9.586 1.00 7.68 C ATOM 0 H ALA A 28 -1.655 0.323 -7.515 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.690 -1.118 -8.662 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.919 -1.348 -10.475 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.948 0.301 -9.806 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.690 -0.847 -9.289 1.00 7.68 H new ATOM 449 N LYS A 29 -1.193 -3.065 -7.588 1.00 8.96 N ATOM 450 CA LYS A 29 -0.922 -4.439 -7.249 1.00 7.90 C ATOM 451 C LYS A 29 -1.946 -5.017 -6.339 1.00 6.92 C ATOM 452 O LYS A 29 -2.343 -6.164 -6.526 1.00 6.87 O ATOM 453 CB LYS A 29 0.426 -4.574 -6.516 1.00 10.28 C ATOM 454 CG LYS A 29 1.696 -4.058 -7.166 1.00 14.94 C ATOM 455 CD LYS A 29 2.100 -4.699 -8.455 1.00 19.69 C ATOM 456 CE LYS A 29 3.245 -3.940 -9.252 1.00 22.63 C ATOM 457 NZ LYS A 29 3.549 -4.608 -10.559 1.00 24.98 N ATOM 0 H LYS A 29 -0.486 -2.403 -7.270 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.920 -4.971 -8.200 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.325 -4.069 -5.555 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.576 -5.633 -6.305 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.578 -2.988 -7.340 1.00 14.94 H new ATOM 0 HG3 LYS A 29 2.514 -4.177 -6.456 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.434 -5.716 -8.249 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.222 -4.776 -9.096 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.940 -2.909 -9.433 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.149 -3.903 -8.644 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.301 -4.084 -11.050 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.864 -5.584 -10.385 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.693 -4.620 -11.150 1.00 24.98 H new ATOM 471 N ILE A 30 -2.500 -4.265 -5.370 1.00 4.57 N ATOM 472 CA ILE A 30 -3.680 -4.611 -4.506 1.00 5.58 C ATOM 473 C ILE A 30 -5.018 -4.740 -5.263 1.00 7.26 C ATOM 474 O ILE A 30 -5.820 -5.633 -4.891 1.00 9.46 O ATOM 475 CB ILE A 30 -3.875 -3.672 -3.364 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.713 -3.902 -2.388 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.200 -3.839 -2.551 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.420 -2.699 -1.475 1.00 2.00 C ATOM 0 H ILE A 30 -2.126 -3.343 -5.144 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.410 -5.596 -4.126 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.920 -2.675 -3.803 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.938 -4.770 -1.768 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.815 -4.141 -2.957 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.229 -3.103 -1.748 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.054 -3.689 -3.212 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.242 -4.842 -2.126 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.587 -2.938 -0.814 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.162 -1.833 -2.085 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.303 -2.472 -0.878 1.00 2.00 H new ATOM 490 N GLN A 31 -5.195 -3.902 -6.266 1.00 7.06 N ATOM 491 CA GLN A 31 -6.354 -3.808 -7.130 1.00 8.67 C ATOM 492 C GLN A 31 -6.584 -5.082 -7.871 1.00 10.90 C ATOM 493 O GLN A 31 -7.763 -5.530 -8.054 1.00 9.63 O ATOM 494 CB GLN A 31 -6.217 -2.567 -8.004 1.00 9.12 C ATOM 495 CG GLN A 31 -7.518 -2.190 -8.812 1.00 10.76 C ATOM 496 CD GLN A 31 -7.256 -0.946 -9.669 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.204 -0.355 -9.778 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.295 -0.561 -10.476 1.00 14.76 N ATOM 0 H GLN A 31 -4.479 -3.219 -6.516 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.264 -3.679 -6.544 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -5.939 -1.723 -7.373 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.399 -2.722 -8.708 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.817 -3.024 -9.447 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.342 -2.002 -8.124 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.195 -1.037 -10.411 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.168 0.201 -11.142 1.00 14.76 H new ATOM 507 N ASP A 32 -5.496 -5.732 -8.267 1.00 10.93 N ATOM 508 CA ASP A 32 -5.388 -7.050 -8.923 1.00 14.01 C ATOM 509 C ASP A 32 -5.620 -8.187 -7.923 1.00 14.04 C ATOM 510 O ASP A 32 -6.231 -9.173 -8.264 1.00 13.39 O ATOM 511 CB ASP A 32 -3.927 -7.293 -9.452 1.00 18.01 C ATOM 512 CG ASP A 32 -3.601 -6.539 -10.702 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.534 -6.027 -11.397 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.426 -6.498 -11.087 1.00 25.17 O ATOM 0 H ASP A 32 -4.574 -5.319 -8.128 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.128 -7.046 -9.723 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.218 -7.011 -8.674 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.790 -8.359 -9.636 1.00 18.01 H new ATOM 519 N LYS A 33 -5.074 -8.129 -6.717 1.00 14.22 N ATOM 520 CA LYS A 33 -5.135 -9.167 -5.692 1.00 14.00 C ATOM 521 C LYS A 33 -6.587 -9.246 -5.127 1.00 12.37 C ATOM 522 O LYS A 33 -7.242 -10.336 -5.075 1.00 12.17 O ATOM 523 CB LYS A 33 -4.221 -8.855 -4.518 1.00 18.62 C ATOM 524 CG LYS A 33 -2.729 -9.077 -4.834 1.00 24.00 C ATOM 525 CD LYS A 33 -2.315 -10.570 -4.858 1.00 27.61 C ATOM 526 CE LYS A 33 -0.771 -10.577 -4.951 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.181 -11.919 -4.841 1.00 30.06 N ATOM 0 H LYS A 33 -4.547 -7.312 -6.408 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.824 -10.102 -6.159 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.371 -7.819 -4.214 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.503 -9.480 -3.670 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.501 -8.630 -5.801 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.127 -8.554 -4.091 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.655 -11.085 -3.959 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.760 -11.086 -5.709 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.471 -10.134 -5.900 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.365 -9.945 -4.161 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.591 -11.903 -4.144 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.910 -12.595 -4.535 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.194 -12.210 -5.766 1.00 30.06 H new ATOM 541 N GLU A 34 -7.147 -8.102 -4.764 1.00 10.11 N ATOM 542 CA GLU A 34 -8.328 -8.101 -3.845 1.00 10.07 C ATOM 543 C GLU A 34 -9.517 -7.342 -4.439 1.00 9.32 C ATOM 544 O GLU A 34 -10.587 -7.357 -3.898 1.00 11.61 O ATOM 545 CB GLU A 34 -7.982 -7.431 -2.455 1.00 14.77 C ATOM 546 CG GLU A 34 -6.771 -8.091 -1.799 1.00 18.75 C ATOM 547 CD GLU A 34 -7.158 -9.275 -1.012 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.007 -9.208 -0.099 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.717 -10.408 -1.434 1.00 25.19 O ATOM 0 H GLU A 34 -6.833 -7.180 -5.067 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.592 -9.149 -3.704 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.784 -6.369 -2.602 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.843 -7.506 -1.790 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.054 -8.382 -2.567 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.270 -7.371 -1.152 1.00 18.75 H new ATOM 556 N GLY A 35 -9.281 -6.614 -5.591 1.00 7.22 N ATOM 557 CA GLY A 35 -10.379 -5.965 -6.266 1.00 6.29 C ATOM 558 C GLY A 35 -10.863 -4.655 -5.614 1.00 6.93 C ATOM 559 O GLY A 35 -12.076 -4.443 -5.552 1.00 7.41 O ATOM 0 H GLY A 35 -8.367 -6.488 -6.025 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.080 -5.753 -7.293 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.217 -6.660 -6.315 1.00 6.29 H new ATOM 563 N ILE A 36 -9.944 -3.812 -5.085 1.00 5.86 N ATOM 564 CA ILE A 36 -10.341 -2.610 -4.370 1.00 6.07 C ATOM 565 C ILE A 36 -9.782 -1.429 -5.210 1.00 6.36 C ATOM 566 O ILE A 36 -8.575 -1.307 -5.317 1.00 6.18 O ATOM 567 CB ILE A 36 -9.733 -2.386 -3.008 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.066 -3.578 -2.105 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.430 -1.151 -2.450 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.040 -3.743 -1.019 1.00 9.49 C ATOM 0 H ILE A 36 -8.936 -3.954 -5.147 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.419 -2.695 -4.235 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.651 -2.269 -3.061 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.051 -3.436 -1.660 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.115 -4.488 -2.703 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.037 -0.928 -1.458 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.251 -0.303 -3.110 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.502 -1.338 -2.382 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.304 -4.597 -0.395 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.060 -3.910 -1.466 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.010 -2.842 -0.407 1.00 9.49 H new ATOM 582 N PRO A 37 -10.627 -0.600 -5.831 1.00 8.65 N ATOM 583 CA PRO A 37 -10.130 0.661 -6.473 1.00 9.18 C ATOM 584 C PRO A 37 -9.116 1.536 -5.730 1.00 9.85 C ATOM 585 O PRO A 37 -9.299 1.764 -4.526 1.00 8.51 O ATOM 586 CB PRO A 37 -11.373 1.481 -6.713 1.00 11.42 C ATOM 587 CG PRO A 37 -12.415 0.383 -6.824 1.00 9.27 C ATOM 588 CD PRO A 37 -12.044 -0.643 -5.769 1.00 8.33 C ATOM 0 HA PRO A 37 -9.559 0.344 -7.346 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.581 2.168 -5.892 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.305 2.080 -7.621 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.417 0.776 -6.653 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.412 -0.060 -7.820 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.421 -0.374 -4.782 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.436 -1.633 -6.001 1.00 8.33 H new ATOM 596 N PRO A 38 -8.060 2.108 -6.339 1.00 8.71 N ATOM 597 CA PRO A 38 -7.116 2.936 -5.514 1.00 9.08 C ATOM 598 C PRO A 38 -7.604 4.132 -4.771 1.00 9.28 C ATOM 599 O PRO A 38 -7.090 4.300 -3.707 1.00 6.50 O ATOM 600 CB PRO A 38 -6.191 3.456 -6.622 1.00 10.31 C ATOM 601 CG PRO A 38 -6.003 2.257 -7.509 1.00 10.81 C ATOM 602 CD PRO A 38 -7.416 1.705 -7.585 1.00 12.00 C ATOM 0 HA PRO A 38 -6.744 2.314 -4.700 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.640 4.289 -7.162 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.242 3.811 -6.220 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.617 2.531 -8.491 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.305 1.537 -7.082 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.948 2.105 -8.449 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.408 0.620 -7.690 1.00 12.00 H new ATOM 610 N ASP A 39 -8.679 4.814 -5.223 1.00 11.20 N ATOM 611 CA ASP A 39 -9.315 5.867 -4.511 1.00 14.96 C ATOM 612 C ASP A 39 -10.058 5.447 -3.313 1.00 13.99 C ATOM 613 O ASP A 39 -10.370 6.285 -2.450 1.00 13.75 O ATOM 614 CB ASP A 39 -10.287 6.721 -5.320 1.00 24.16 C ATOM 615 CG ASP A 39 -9.529 7.486 -6.421 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.709 8.387 -6.143 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.822 7.171 -7.597 1.00 35.55 O ATOM 0 H ASP A 39 -9.116 4.617 -6.123 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.439 6.456 -4.238 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.053 6.088 -5.768 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.798 7.425 -4.663 1.00 24.16 H new ATOM 622 N GLN A 40 -10.308 4.162 -3.161 1.00 11.60 N ATOM 623 CA GLN A 40 -10.874 3.565 -1.976 1.00 10.76 C ATOM 624 C GLN A 40 -9.841 2.898 -1.197 1.00 8.01 C ATOM 625 O GLN A 40 -10.042 2.429 -0.061 1.00 8.96 O ATOM 626 CB GLN A 40 -12.100 2.611 -2.266 1.00 11.14 C ATOM 627 CG GLN A 40 -13.256 3.327 -2.978 1.00 14.85 C ATOM 628 CD GLN A 40 -14.434 2.338 -3.232 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.612 1.808 -4.308 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.147 2.030 -2.115 1.00 18.16 N ATOM 0 H GLN A 40 -10.113 3.479 -3.893 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.285 4.382 -1.384 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.766 1.773 -2.878 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.461 2.195 -1.325 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.601 4.165 -2.373 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.908 3.739 -3.925 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.952 2.510 -1.237 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.877 1.319 -2.156 1.00 18.16 H new ATOM 639 N GLN A 41 -8.611 2.953 -1.670 1.00 6.52 N ATOM 640 CA GLN A 41 -7.545 2.404 -0.871 1.00 3.87 C ATOM 641 C GLN A 41 -6.792 3.531 -0.137 1.00 4.79 C ATOM 642 O GLN A 41 -6.435 4.537 -0.695 1.00 6.34 O ATOM 643 CB GLN A 41 -6.492 1.616 -1.775 1.00 4.20 C ATOM 644 CG GLN A 41 -6.947 0.236 -2.413 1.00 3.20 C ATOM 645 CD GLN A 41 -5.754 -0.339 -3.119 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.609 -0.333 -2.637 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.992 -0.943 -4.289 1.00 7.13 N ATOM 0 H GLN A 41 -8.336 3.355 -2.566 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.998 1.718 -0.156 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.189 2.276 -2.588 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.606 1.428 -1.169 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.303 -0.446 -1.641 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.771 0.387 -3.110 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.934 -0.945 -4.680 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.231 -1.402 -4.790 1.00 7.13 H new ATOM 656 N ARG A 42 -6.558 3.294 1.141 1.00 5.73 N ATOM 657 CA ARG A 42 -5.653 4.128 1.898 1.00 6.97 C ATOM 658 C ARG A 42 -4.466 3.285 2.421 1.00 7.15 C ATOM 659 O ARG A 42 -4.631 2.359 3.247 1.00 7.33 O ATOM 660 CB ARG A 42 -6.345 4.953 3.044 1.00 13.23 C ATOM 661 CG ARG A 42 -5.370 5.812 3.877 1.00 21.27 C ATOM 662 CD ARG A 42 -5.982 6.584 5.039 1.00 26.14 C ATOM 663 NE ARG A 42 -6.536 7.773 4.310 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.788 8.218 4.401 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.827 7.589 5.027 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.037 9.443 3.927 1.00 36.39 N ATOM 0 H ARG A 42 -6.982 2.533 1.672 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.274 4.884 1.211 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.101 5.604 2.604 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.866 4.265 3.710 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.590 5.161 4.271 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.884 6.524 3.210 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.756 6.015 5.554 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.241 6.864 5.788 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.902 8.282 3.694 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.678 6.689 5.483 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.752 8.019 5.038 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.283 9.994 3.517 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.981 9.826 3.975 1.00 36.39 H new ATOM 680 N LEU A 43 -3.162 3.589 2.106 1.00 4.65 N ATOM 681 CA LEU A 43 -2.079 2.797 2.607 1.00 3.51 C ATOM 682 C LEU A 43 -1.380 3.461 3.775 1.00 5.56 C ATOM 683 O LEU A 43 -1.232 4.681 3.797 1.00 4.19 O ATOM 684 CB LEU A 43 -1.047 2.327 1.589 1.00 3.74 C ATOM 685 CG LEU A 43 -1.637 1.610 0.338 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.401 1.166 -0.445 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.495 0.385 0.640 1.00 6.41 C ATOM 0 H LEU A 43 -2.881 4.371 1.515 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.587 1.890 2.935 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.468 3.189 1.256 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.353 1.649 2.084 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.308 2.290 -0.187 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.712 0.647 -1.352 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.193 2.040 -0.713 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.198 0.495 0.170 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.859 -0.043 -0.294 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.897 -0.356 1.171 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.343 0.678 1.259 1.00 6.41 H new ATOM 699 N ILE A 44 -1.142 2.668 4.774 1.00 4.58 N ATOM 700 CA ILE A 44 -0.648 2.986 6.090 1.00 5.55 C ATOM 701 C ILE A 44 0.695 2.275 6.311 1.00 5.46 C ATOM 702 O ILE A 44 0.928 1.152 5.821 1.00 6.04 O ATOM 703 CB ILE A 44 -1.643 2.698 7.165 1.00 6.80 C ATOM 704 CG1 ILE A 44 -3.047 3.354 6.949 1.00 10.31 C ATOM 705 CG2 ILE A 44 -1.097 2.973 8.585 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.075 4.869 7.007 1.00 13.90 C ATOM 0 H ILE A 44 -1.307 1.666 4.681 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.483 4.062 6.150 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.809 1.624 7.083 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.431 3.038 5.979 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.730 2.966 7.705 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.867 2.745 9.322 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.224 2.346 8.767 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.814 4.022 8.669 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.094 5.221 6.845 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.727 5.202 7.985 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.424 5.275 6.233 1.00 13.90 H new ATOM 718 N PHE A 45 1.698 2.933 6.980 1.00 6.75 N ATOM 719 CA PHE A 45 2.940 2.288 7.317 1.00 4.70 C ATOM 720 C PHE A 45 3.378 2.902 8.573 1.00 6.34 C ATOM 721 O PHE A 45 3.599 4.111 8.587 1.00 5.45 O ATOM 722 CB PHE A 45 4.055 2.469 6.231 1.00 5.51 C ATOM 723 CG PHE A 45 5.407 1.822 6.539 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.560 0.445 6.803 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.501 2.659 6.753 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.786 -0.063 7.261 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.740 2.115 7.097 1.00 6.64 C ATOM 728 CZ PHE A 45 7.894 0.797 7.442 1.00 6.84 C ATOM 0 H PHE A 45 1.636 3.906 7.280 1.00 6.75 H new ATOM 0 HA PHE A 45 2.778 1.213 7.393 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.686 2.061 5.290 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.213 3.536 6.076 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.726 -0.225 6.651 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.390 3.729 6.653 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.884 -1.117 7.476 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.609 2.756 7.091 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.829 0.428 7.838 1.00 6.84 H new ATOM 738 N ALA A 46 3.475 2.055 9.595 1.00 6.53 N ATOM 739 CA ALA A 46 4.014 2.361 10.880 1.00 7.15 C ATOM 740 C ALA A 46 3.512 3.699 11.411 1.00 9.00 C ATOM 741 O ALA A 46 4.335 4.618 11.592 1.00 11.15 O ATOM 742 CB ALA A 46 5.553 2.230 10.808 1.00 8.99 C ATOM 0 H ALA A 46 3.157 1.088 9.525 1.00 6.53 H new ATOM 0 HA ALA A 46 3.657 1.645 11.621 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.984 2.460 11.782 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.819 1.211 10.526 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.943 2.926 10.065 1.00 8.99 H new ATOM 748 N GLY A 47 2.207 3.823 11.688 1.00 9.35 N ATOM 749 CA GLY A 47 1.704 4.979 12.381 1.00 11.68 C ATOM 750 C GLY A 47 1.324 6.131 11.511 1.00 11.14 C ATOM 751 O GLY A 47 0.765 7.112 12.039 1.00 13.93 O ATOM 0 H GLY A 47 1.498 3.133 11.438 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.832 4.682 12.963 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.461 5.315 13.090 1.00 11.68 H new ATOM 755 N LYS A 48 1.574 6.056 10.184 1.00 10.47 N ATOM 756 CA LYS A 48 1.341 7.147 9.290 1.00 8.82 C ATOM 757 C LYS A 48 0.925 6.784 7.843 1.00 7.68 C ATOM 758 O LYS A 48 1.098 5.644 7.344 1.00 6.47 O ATOM 759 CB LYS A 48 2.510 8.144 9.181 1.00 9.74 C ATOM 760 CG LYS A 48 3.824 7.506 8.878 1.00 14.14 C ATOM 761 CD LYS A 48 4.168 7.214 7.401 1.00 16.32 C ATOM 762 CE LYS A 48 5.565 6.686 7.226 1.00 20.04 C ATOM 763 NZ LYS A 48 6.578 7.607 7.766 1.00 23.92 N ATOM 0 H LYS A 48 1.944 5.221 9.729 1.00 10.47 H new ATOM 0 HA LYS A 48 0.486 7.605 9.787 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.282 8.871 8.402 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.593 8.695 10.118 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.607 8.148 9.282 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.871 6.564 9.424 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.457 6.490 7.003 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.053 8.128 6.818 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.652 5.720 7.724 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.758 6.517 6.167 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.506 7.382 7.355 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.321 8.586 7.525 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.624 7.505 8.800 1.00 23.92 H new ATOM 777 N GLN A 49 0.314 7.744 7.066 1.00 8.89 N ATOM 778 CA GLN A 49 -0.182 7.506 5.708 1.00 7.18 C ATOM 779 C GLN A 49 0.885 7.529 4.728 1.00 8.23 C ATOM 780 O GLN A 49 1.941 8.163 4.898 1.00 9.70 O ATOM 781 CB GLN A 49 -1.183 8.726 5.518 1.00 11.67 C ATOM 782 CG GLN A 49 -1.975 8.695 4.185 1.00 15.82 C ATOM 783 CD GLN A 49 -3.154 9.631 4.207 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.297 9.243 4.374 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.792 10.932 4.150 1.00 20.67 N ATOM 0 H GLN A 49 0.163 8.700 7.388 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.643 6.527 5.573 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.890 8.734 6.348 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.618 9.657 5.571 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.312 8.966 3.363 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.322 7.680 3.993 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.814 11.183 4.007 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.497 11.662 4.250 1.00 20.67 H new ATOM 794 N LEU A 50 0.623 6.764 3.571 1.00 6.51 N ATOM 795 CA LEU A 50 1.420 6.791 2.341 1.00 7.41 C ATOM 796 C LEU A 50 0.818 7.595 1.269 1.00 8.27 C ATOM 797 O LEU A 50 -0.354 7.328 0.987 1.00 8.34 O ATOM 798 CB LEU A 50 1.776 5.388 1.915 1.00 7.13 C ATOM 799 CG LEU A 50 2.548 4.530 2.954 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.526 3.048 2.594 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.947 4.963 3.157 1.00 9.11 C ATOM 0 H LEU A 50 -0.166 6.120 3.514 1.00 6.51 H new ATOM 0 HA LEU A 50 2.351 7.311 2.565 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.856 4.865 1.655 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.376 5.448 1.007 1.00 7.13 H new ATOM 0 HG LEU A 50 2.016 4.684 3.893 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.077 2.483 3.346 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.495 2.697 2.560 1.00 8.14 H new ATOM 0 HD13 LEU A 50 2.991 2.904 1.619 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.424 4.319 3.896 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.489 4.897 2.214 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.961 5.994 3.512 1.00 9.11 H new ATOM 813 N GLU A 51 1.602 8.431 0.629 1.00 9.43 N ATOM 814 CA GLU A 51 1.079 9.351 -0.339 1.00 11.90 C ATOM 815 C GLU A 51 1.331 8.886 -1.793 1.00 11.49 C ATOM 816 O GLU A 51 2.391 8.375 -2.196 1.00 9.88 O ATOM 817 CB GLU A 51 1.567 10.784 -0.086 1.00 16.56 C ATOM 818 CG GLU A 51 1.062 11.278 1.275 1.00 26.06 C ATOM 819 CD GLU A 51 1.421 12.718 1.325 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.592 13.080 1.628 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.522 13.538 1.026 1.00 32.13 O ATOM 0 H GLU A 51 2.611 8.488 0.767 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.003 9.362 -0.211 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.656 10.816 -0.112 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.210 11.444 -0.877 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.015 11.137 1.370 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.529 10.727 2.092 1.00 26.06 H new ATOM 828 N ASP A 52 0.220 8.881 -2.534 1.00 12.71 N ATOM 829 CA ASP A 52 0.027 8.314 -3.911 1.00 16.56 C ATOM 830 C ASP A 52 1.178 8.586 -4.957 1.00 15.83 C ATOM 831 O ASP A 52 1.668 7.651 -5.591 1.00 17.21 O ATOM 832 CB ASP A 52 -1.323 8.748 -4.412 1.00 21.05 C ATOM 833 CG ASP A 52 -2.442 8.239 -3.583 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.702 8.847 -2.524 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.033 7.214 -3.956 1.00 28.37 O ATOM 0 H ASP A 52 -0.641 9.298 -2.181 1.00 12.71 H new ATOM 0 HA ASP A 52 0.079 7.230 -3.809 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.362 9.837 -4.436 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.452 8.402 -5.438 1.00 21.05 H new ATOM 840 N GLY A 53 1.693 9.785 -5.103 1.00 15.00 N ATOM 841 CA GLY A 53 2.757 9.977 -6.075 1.00 11.77 C ATOM 842 C GLY A 53 4.129 9.830 -5.425 1.00 11.10 C ATOM 843 O GLY A 53 5.112 10.209 -6.096 1.00 11.25 O ATOM 0 H GLY A 53 1.410 10.617 -4.585 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.653 9.250 -6.880 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.669 10.966 -6.525 1.00 11.77 H new ATOM 847 N ARG A 54 4.283 9.202 -4.239 1.00 8.53 N ATOM 848 CA ARG A 54 5.683 8.947 -3.763 1.00 9.05 C ATOM 849 C ARG A 54 6.039 7.445 -3.845 1.00 8.96 C ATOM 850 O ARG A 54 5.226 6.609 -4.146 1.00 11.60 O ATOM 851 CB ARG A 54 5.711 9.407 -2.362 1.00 7.97 C ATOM 852 CG ARG A 54 5.370 10.963 -2.148 1.00 9.62 C ATOM 853 CD ARG A 54 6.339 11.945 -2.864 1.00 12.20 C ATOM 854 NE ARG A 54 6.017 13.345 -2.506 1.00 18.23 N ATOM 855 CZ ARG A 54 6.777 14.394 -2.984 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.578 14.223 -3.996 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.674 15.621 -2.433 1.00 23.38 N ATOM 0 H ARG A 54 3.532 8.880 -3.628 1.00 8.53 H new ATOM 0 HA ARG A 54 6.413 9.470 -4.382 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.001 8.813 -1.787 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.700 9.208 -1.950 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.357 11.151 -2.503 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.379 11.179 -1.080 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.368 11.719 -2.583 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.267 11.814 -3.944 1.00 12.20 H new ATOM 0 HE ARG A 54 5.222 13.538 -1.897 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.648 13.308 -4.442 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.136 15.004 -4.343 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.031 15.779 -1.657 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.239 16.390 -2.792 1.00 23.38 H new ATOM 871 N THR A 55 7.306 7.124 -3.701 1.00 9.05 N ATOM 872 CA THR A 55 7.767 5.733 -3.927 1.00 9.03 C ATOM 873 C THR A 55 8.050 5.029 -2.653 1.00 8.15 C ATOM 874 O THR A 55 8.282 5.593 -1.552 1.00 5.91 O ATOM 875 CB THR A 55 8.941 5.552 -4.918 1.00 11.15 C ATOM 876 OG1 THR A 55 10.134 6.213 -4.411 1.00 11.95 O ATOM 877 CG2 THR A 55 8.656 6.044 -6.354 1.00 11.71 C ATOM 0 H THR A 55 8.040 7.780 -3.434 1.00 9.05 H new ATOM 0 HA THR A 55 6.914 5.270 -4.423 1.00 9.03 H new ATOM 0 HB THR A 55 9.091 4.475 -4.990 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.878 6.887 -3.748 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.535 5.877 -6.977 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.809 5.494 -6.766 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.422 7.109 -6.334 1.00 11.71 H new ATOM 885 N LEU A 56 8.141 3.702 -2.676 1.00 6.91 N ATOM 886 CA LEU A 56 8.605 2.914 -1.522 1.00 8.29 C ATOM 887 C LEU A 56 10.052 3.327 -1.095 1.00 8.05 C ATOM 888 O LEU A 56 10.245 3.520 0.093 1.00 10.17 O ATOM 889 CB LEU A 56 8.500 1.399 -1.884 1.00 6.60 C ATOM 890 CG LEU A 56 7.047 0.877 -2.011 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.100 -0.588 -2.462 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.312 0.911 -0.662 1.00 8.64 C ATOM 0 H LEU A 56 7.897 3.137 -3.490 1.00 6.91 H new ATOM 0 HA LEU A 56 7.973 3.113 -0.657 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.021 1.225 -2.826 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.018 0.818 -1.121 1.00 6.60 H new ATOM 0 HG LEU A 56 6.520 1.513 -2.722 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.086 -0.976 -2.558 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.606 -0.654 -3.425 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.645 -1.176 -1.724 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.296 0.537 -0.792 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.840 0.284 0.056 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.277 1.936 -0.292 1.00 8.64 H new ATOM 904 N SER A 57 10.966 3.696 -2.019 1.00 8.92 N ATOM 905 CA SER A 57 12.276 4.337 -1.691 1.00 9.00 C ATOM 906 C SER A 57 12.166 5.638 -0.903 1.00 9.44 C ATOM 907 O SER A 57 12.997 5.865 -0.010 1.00 10.91 O ATOM 908 CB SER A 57 13.100 4.512 -2.926 1.00 10.32 C ATOM 909 OG SER A 57 12.631 5.522 -3.847 1.00 13.59 O ATOM 0 H SER A 57 10.823 3.561 -3.020 1.00 8.92 H new ATOM 0 HA SER A 57 12.783 3.647 -1.017 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.119 4.760 -2.630 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.144 3.558 -3.451 1.00 10.32 H new ATOM 0 HG SER A 57 11.674 5.678 -3.702 1.00 13.59 H new ATOM 915 N ASP A 58 11.231 6.477 -1.117 1.00 9.11 N ATOM 916 CA ASP A 58 11.021 7.730 -0.417 1.00 7.91 C ATOM 917 C ASP A 58 10.627 7.613 1.055 1.00 9.12 C ATOM 918 O ASP A 58 10.777 8.600 1.795 1.00 8.61 O ATOM 919 CB ASP A 58 9.988 8.653 -1.096 1.00 8.41 C ATOM 920 CG ASP A 58 10.407 9.007 -2.477 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.514 9.664 -2.545 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.732 8.631 -3.471 1.00 11.70 O ATOM 0 H ASP A 58 10.526 6.316 -1.836 1.00 9.11 H new ATOM 0 HA ASP A 58 12.019 8.166 -0.469 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.017 8.158 -1.124 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.866 9.562 -0.506 1.00 8.41 H new ATOM 927 N TYR A 59 10.022 6.469 1.474 1.00 7.97 N ATOM 928 CA TYR A 59 9.740 6.207 2.885 1.00 8.45 C ATOM 929 C TYR A 59 10.799 5.183 3.413 1.00 10.98 C ATOM 930 O TYR A 59 10.762 4.774 4.608 1.00 12.95 O ATOM 931 CB TYR A 59 8.352 5.551 3.041 1.00 7.94 C ATOM 932 CG TYR A 59 7.307 6.512 2.596 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.901 7.572 3.473 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.608 6.283 1.385 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.967 8.485 2.977 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.682 7.213 0.913 1.00 6.52 C ATOM 937 CZ TYR A 59 5.362 8.295 1.746 1.00 6.76 C ATOM 938 OH TYR A 59 4.391 9.215 1.261 1.00 7.63 O ATOM 0 H TYR A 59 9.726 5.723 0.844 1.00 7.97 H new ATOM 0 HA TYR A 59 9.771 7.148 3.435 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.299 4.637 2.449 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.185 5.268 4.080 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.300 7.660 4.473 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.794 5.380 0.822 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.712 9.355 3.564 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.227 7.104 -0.060 1.00 6.52 H new ATOM 0 HH TYR A 59 4.422 9.237 0.282 1.00 7.63 H new ATOM 948 N ASN A 60 11.762 4.835 2.538 1.00 12.38 N ATOM 949 CA ASN A 60 12.848 3.907 2.783 1.00 13.94 C ATOM 950 C ASN A 60 12.355 2.488 3.125 1.00 14.16 C ATOM 951 O ASN A 60 12.946 1.770 3.932 1.00 14.26 O ATOM 952 CB ASN A 60 13.773 4.590 3.807 1.00 19.23 C ATOM 953 CG ASN A 60 14.366 5.795 3.102 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.093 5.619 2.097 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.066 7.038 3.562 1.00 24.09 N ATOM 0 H ASN A 60 11.792 5.223 1.595 1.00 12.38 H new ATOM 0 HA ASN A 60 13.433 3.704 1.886 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.216 4.893 4.694 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.556 3.909 4.140 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.436 7.861 3.086 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.471 7.148 4.383 1.00 24.09 H new ATOM 962 N ILE A 61 11.416 2.049 2.302 1.00 11.08 N ATOM 963 CA ILE A 61 10.781 0.739 2.472 1.00 11.78 C ATOM 964 C ILE A 61 11.575 -0.328 1.786 1.00 13.74 C ATOM 965 O ILE A 61 11.955 -0.148 0.646 1.00 14.60 O ATOM 966 CB ILE A 61 9.331 0.773 2.081 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.589 1.600 3.154 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.752 -0.645 1.983 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.147 1.950 2.731 1.00 11.42 C ATOM 0 H ILE A 61 11.071 2.580 1.503 1.00 11.08 H new ATOM 0 HA ILE A 61 10.783 0.481 3.531 1.00 11.78 H new ATOM 0 HB ILE A 61 9.212 1.227 1.097 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.565 1.040 4.089 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.142 2.519 3.347 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.701 -0.590 1.698 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.302 -1.212 1.232 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.841 -1.142 2.949 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.668 2.531 3.519 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.169 2.534 1.811 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.584 1.032 2.564 1.00 11.42 H new ATOM 981 N GLN A 62 11.852 -1.443 2.567 1.00 13.97 N ATOM 982 CA GLN A 62 12.733 -2.523 2.176 1.00 15.52 C ATOM 983 C GLN A 62 12.059 -3.917 2.187 1.00 13.94 C ATOM 984 O GLN A 62 11.043 -4.073 2.810 1.00 12.15 O ATOM 985 CB GLN A 62 13.943 -2.593 3.112 1.00 19.53 C ATOM 986 CG GLN A 62 14.826 -1.339 3.226 1.00 26.38 C ATOM 987 CD GLN A 62 15.783 -1.580 4.421 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.961 -1.797 4.342 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.146 -1.605 5.649 1.00 32.71 N ATOM 0 H GLN A 62 11.443 -1.578 3.491 1.00 13.97 H new ATOM 0 HA GLN A 62 13.026 -2.293 1.152 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.582 -2.842 4.110 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.574 -3.420 2.785 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.388 -1.176 2.306 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.217 -0.450 3.390 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.145 -1.420 5.708 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.678 -1.809 6.495 1.00 32.71 H new ATOM 998 N LYS A 63 12.632 -4.915 1.524 1.00 11.73 N ATOM 999 CA LYS A 63 12.105 -6.298 1.450 1.00 11.97 C ATOM 1000 C LYS A 63 11.677 -6.967 2.726 1.00 10.41 C ATOM 1001 O LYS A 63 12.324 -6.840 3.778 1.00 9.59 O ATOM 1002 CB LYS A 63 13.280 -7.077 0.895 1.00 13.73 C ATOM 1003 CG LYS A 63 14.555 -7.050 1.745 1.00 16.98 C ATOM 1004 CD LYS A 63 15.639 -7.953 1.097 1.00 20.19 C ATOM 1005 CE LYS A 63 16.948 -7.777 1.881 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.065 -8.422 1.233 1.00 25.97 N ATOM 0 H LYS A 63 13.501 -4.794 1.004 1.00 11.73 H new ATOM 0 HA LYS A 63 11.183 -6.270 0.870 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.975 -8.115 0.763 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.517 -6.686 -0.095 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.924 -6.028 1.831 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.337 -7.396 2.755 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.324 -8.996 1.115 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.784 -7.681 0.051 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.161 -6.714 1.995 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.826 -8.187 2.884 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.926 -8.276 1.798 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.875 -9.441 1.147 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.200 -8.014 0.286 1.00 25.97 H new ATOM 1020 N GLU A 64 10.519 -7.628 2.629 1.00 10.04 N ATOM 1021 CA GLU A 64 9.878 -8.351 3.673 1.00 10.94 C ATOM 1022 C GLU A 64 9.347 -7.458 4.836 1.00 9.74 C ATOM 1023 O GLU A 64 9.034 -7.893 5.905 1.00 9.42 O ATOM 1024 CB GLU A 64 10.670 -9.589 4.007 1.00 18.31 C ATOM 1025 CG GLU A 64 10.807 -10.588 2.778 1.00 24.16 C ATOM 1026 CD GLU A 64 11.432 -11.948 3.064 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.724 -12.807 3.571 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.526 -12.105 2.547 1.00 32.61 O ATOM 0 H GLU A 64 9.992 -7.659 1.756 1.00 10.04 H new ATOM 0 HA GLU A 64 8.923 -8.741 3.322 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.665 -9.298 4.344 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.191 -10.107 4.838 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.813 -10.752 2.361 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.400 -10.097 2.006 1.00 24.16 H new ATOM 1035 N SER A 65 9.257 -6.156 4.503 1.00 6.85 N ATOM 1036 CA SER A 65 8.581 -5.188 5.337 1.00 6.90 C ATOM 1037 C SER A 65 7.141 -5.430 5.429 1.00 4.72 C ATOM 1038 O SER A 65 6.508 -5.917 4.477 1.00 3.91 O ATOM 1039 CB SER A 65 8.798 -3.629 4.910 1.00 7.28 C ATOM 1040 OG SER A 65 8.320 -2.770 5.891 1.00 10.56 O ATOM 0 H SER A 65 9.654 -5.764 3.649 1.00 6.85 H new ATOM 0 HA SER A 65 9.059 -5.339 6.305 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.858 -3.439 4.741 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.285 -3.432 3.969 1.00 7.28 H new ATOM 0 HG SER A 65 8.463 -1.842 5.611 1.00 10.56 H new ATOM 1046 N THR A 66 6.556 -5.044 6.606 1.00 4.48 N ATOM 1047 CA THR A 66 5.121 -5.236 6.776 1.00 3.80 C ATOM 1048 C THR A 66 4.450 -3.855 6.620 1.00 4.60 C ATOM 1049 O THR A 66 4.852 -2.931 7.318 1.00 5.33 O ATOM 1050 CB THR A 66 4.625 -5.861 8.057 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.163 -7.128 8.182 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.073 -5.952 8.025 1.00 3.40 C ATOM 0 H THR A 66 7.043 -4.623 7.397 1.00 4.48 H new ATOM 0 HA THR A 66 4.855 -5.972 6.017 1.00 3.80 H new ATOM 0 HB THR A 66 4.930 -5.249 8.906 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.845 -7.538 9.014 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.716 -6.404 8.951 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.652 -4.952 7.923 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.762 -6.565 7.179 1.00 3.40 H new ATOM 1060 N LEU A 67 3.497 -3.679 5.750 1.00 4.17 N ATOM 1061 CA LEU A 67 2.870 -2.341 5.499 1.00 3.85 C ATOM 1062 C LEU A 67 1.388 -2.582 5.690 1.00 3.80 C ATOM 1063 O LEU A 67 1.013 -3.737 5.879 1.00 5.54 O ATOM 1064 CB LEU A 67 3.075 -1.902 4.034 1.00 7.18 C ATOM 1065 CG LEU A 67 4.410 -1.214 3.632 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.698 -2.082 3.871 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.247 -0.680 2.224 1.00 11.66 C ATOM 0 H LEU A 67 3.110 -4.431 5.180 1.00 4.17 H new ATOM 0 HA LEU A 67 3.295 -1.578 6.151 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.959 -2.786 3.407 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.264 -1.220 3.778 1.00 7.18 H new ATOM 0 HG LEU A 67 4.601 -0.379 4.306 1.00 9.67 H new ATOM 0 HD11 LEU A 67 6.579 -1.519 3.561 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.779 -2.329 4.930 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.631 -3.001 3.288 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.169 -0.190 1.912 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.026 -1.504 1.546 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.428 0.039 2.200 1.00 11.66 H new ATOM 1079 N HIS A 68 0.512 -1.534 5.833 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.877 -1.741 6.152 1.00 4.17 C ATOM 1081 C HIS A 68 -1.818 -1.078 5.120 1.00 5.32 C ATOM 1082 O HIS A 68 -1.494 -0.098 4.439 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.104 -1.162 7.503 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.615 -2.079 8.614 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.382 -3.009 8.591 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.180 -2.188 9.860 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.466 -3.584 9.866 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.446 -3.039 10.666 1.00 16.30 N ATOM 0 H HIS A 68 0.776 -0.555 5.726 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.102 -2.807 6.131 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.592 -0.202 7.575 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.168 -0.967 7.638 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.079 -1.677 10.170 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.166 -4.354 10.156 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.576 -3.212 11.663 1.00 16.30 H new ATOM 1096 N LEU A 69 -2.943 -1.683 4.898 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.045 -1.201 4.027 1.00 3.97 C ATOM 1098 C LEU A 69 -5.239 -0.966 4.923 1.00 5.07 C ATOM 1099 O LEU A 69 -5.515 -1.778 5.795 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.330 -2.352 3.034 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.646 -2.256 2.147 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.675 -1.029 1.303 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.639 -3.479 1.191 1.00 9.96 C ATOM 0 H LEU A 69 -3.160 -2.581 5.331 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.812 -0.283 3.487 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.477 -2.432 2.360 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.376 -3.281 3.602 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.510 -2.230 2.811 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.594 -1.012 0.717 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.636 -0.147 1.942 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.817 -1.029 0.631 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.528 -3.453 0.561 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.748 -3.445 0.563 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.636 -4.398 1.776 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.985 0.103 4.781 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.299 0.405 5.368 1.00 6.26 C ATOM 1117 C VAL A 70 -7.978 1.029 4.220 1.00 9.22 C ATOM 1118 O VAL A 70 -7.344 1.366 3.217 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.337 1.373 6.615 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.488 0.644 7.652 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.688 2.723 6.273 1.00 8.54 C ATOM 0 H VAL A 70 -5.666 0.873 4.192 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.742 -0.497 5.790 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.351 1.588 6.951 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.446 1.234 8.568 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.931 -0.328 7.866 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.479 0.505 7.264 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.724 3.376 7.145 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.650 2.564 5.982 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.229 3.188 5.449 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.308 1.150 4.357 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.112 1.661 3.262 1.00 16.06 C ATOM 1133 C LEU A 71 -10.368 3.161 3.478 1.00 18.09 C ATOM 1134 O LEU A 71 -10.455 3.657 4.569 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.353 0.823 2.925 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.944 -0.640 2.476 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.179 -1.445 2.232 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.089 -0.618 1.229 1.00 19.57 C ATOM 0 H LEU A 71 -9.829 0.905 5.199 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.538 1.555 2.341 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.008 0.771 3.795 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.918 1.307 2.129 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.356 -1.093 3.274 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.901 -2.453 1.923 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.767 -1.496 3.148 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.771 -0.975 1.447 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.827 -1.638 0.950 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.644 -0.150 0.416 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.179 -0.049 1.422 1.00 19.57 H new