USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.0713 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0239 (180deg=-0.286) USER MOD Single : A 1 MET N :NH3+ -168:sc= 2.06 (180deg=1.7) USER MOD Single : A 2 GLN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 131:sc= 0.926 (180deg=0.319) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -66:sc= 0.297 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.231 X(o=0.23,f=-0.24) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.22) USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= 1.28 (180deg=1.06) USER MOD Single : A 31 GLN : amide:sc= -0.885 K(o=-0.88,f=-1.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.3!) USER MOD Single : A 41 GLN : amide:sc= 0.0203 K(o=0.02,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.321 K(o=-0.32,f=-1) USER MOD Single : A 59 TYR OH : rot 50:sc= 0.81 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.03) USER MOD Single : A 65 SER OG : rot 170:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.794 -6.768 -4.882 1.00 9.67 N ATOM 2 CA MET A 1 11.700 -6.763 -3.459 1.00 10.38 C ATOM 3 C MET A 1 10.335 -7.264 -3.034 1.00 9.62 C ATOM 4 O MET A 1 9.305 -6.882 -3.552 1.00 9.62 O ATOM 5 CB MET A 1 11.938 -5.290 -2.989 1.00 13.77 C ATOM 6 CG MET A 1 12.329 -5.128 -1.517 1.00 16.29 C ATOM 7 SD MET A 1 12.751 -3.434 -1.055 1.00 17.17 S ATOM 8 CE MET A 1 11.098 -2.669 -1.230 1.00 16.11 C ATOM 0 H1 MET A 1 12.784 -6.622 -5.165 1.00 9.67 H new ATOM 0 H2 MET A 1 11.460 -7.682 -5.249 1.00 9.67 H new ATOM 0 H3 MET A 1 11.206 -6.004 -5.271 1.00 9.67 H new ATOM 0 HA MET A 1 12.441 -7.422 -3.007 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.722 -4.851 -3.606 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.029 -4.716 -3.172 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.504 -5.470 -0.892 1.00 16.29 H new ATOM 0 HG3 MET A 1 13.180 -5.775 -1.304 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.104 -1.681 -0.769 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.851 -2.575 -2.287 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.354 -3.295 -0.738 1.00 16.11 H new ATOM 20 N GLN A 2 10.223 -8.187 -2.064 1.00 9.27 N ATOM 21 CA GLN A 2 8.913 -8.678 -1.565 1.00 9.07 C ATOM 22 C GLN A 2 8.306 -7.890 -0.448 1.00 8.72 C ATOM 23 O GLN A 2 9.026 -7.447 0.466 1.00 8.22 O ATOM 24 CB GLN A 2 9.211 -10.157 -1.176 1.00 14.46 C ATOM 25 CG GLN A 2 7.985 -10.834 -0.603 1.00 17.01 C ATOM 26 CD GLN A 2 8.121 -12.319 -0.516 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.264 -12.902 0.580 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.246 -12.988 -1.651 1.00 19.49 N ATOM 0 H GLN A 2 11.026 -8.615 -1.603 1.00 9.27 H new ATOM 0 HA GLN A 2 8.142 -8.572 -2.328 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.554 -10.704 -2.054 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.020 -10.187 -0.446 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.789 -10.434 0.392 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.121 -10.590 -1.221 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.128 -12.507 -2.542 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.460 -13.985 -1.634 1.00 19.49 H new ATOM 37 N ILE A 3 6.964 -7.700 -0.485 1.00 5.87 N ATOM 38 CA ILE A 3 6.327 -7.015 0.653 1.00 5.07 C ATOM 39 C ILE A 3 5.014 -7.724 1.045 1.00 4.01 C ATOM 40 O ILE A 3 4.550 -8.674 0.379 1.00 4.61 O ATOM 41 CB ILE A 3 6.060 -5.487 0.463 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.127 -5.294 -0.768 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.373 -4.705 0.257 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.446 -3.890 -0.837 1.00 10.83 C ATOM 0 H ILE A 3 6.341 -7.991 -1.239 1.00 5.87 H new ATOM 0 HA ILE A 3 7.064 -7.082 1.453 1.00 5.07 H new ATOM 0 HB ILE A 3 5.585 -5.098 1.364 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.707 -5.450 -1.678 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.353 -6.061 -0.748 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.149 -3.646 0.128 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.015 -4.837 1.128 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.884 -5.079 -0.631 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.813 -3.836 -1.723 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.837 -3.737 0.054 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.212 -3.116 -0.891 1.00 10.83 H new ATOM 56 N PHE A 4 4.438 -7.345 2.209 1.00 4.55 N ATOM 57 CA PHE A 4 3.182 -7.894 2.654 1.00 4.68 C ATOM 58 C PHE A 4 2.260 -6.681 2.734 1.00 5.30 C ATOM 59 O PHE A 4 2.714 -5.583 3.136 1.00 5.58 O ATOM 60 CB PHE A 4 3.252 -8.577 4.021 1.00 4.83 C ATOM 61 CG PHE A 4 4.217 -9.705 3.949 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.897 -10.804 3.209 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.361 -9.626 4.734 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.841 -11.852 3.109 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.339 -10.620 4.589 1.00 10.61 C ATOM 66 CZ PHE A 4 6.073 -11.743 3.819 1.00 8.90 C ATOM 0 H PHE A 4 4.843 -6.657 2.844 1.00 4.55 H new ATOM 0 HA PHE A 4 2.847 -8.675 1.972 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.564 -7.863 4.783 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.267 -8.942 4.310 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.942 -10.873 2.709 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.493 -8.818 5.439 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.632 -12.722 2.504 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.297 -10.512 5.076 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.802 -12.538 3.757 1.00 8.90 H new ATOM 76 N VAL A 5 0.947 -6.826 2.485 1.00 4.44 N ATOM 77 CA VAL A 5 0.007 -5.818 2.908 1.00 3.87 C ATOM 78 C VAL A 5 -1.088 -6.492 3.709 1.00 4.93 C ATOM 79 O VAL A 5 -1.507 -7.614 3.440 1.00 6.84 O ATOM 80 CB VAL A 5 -0.551 -5.121 1.689 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.215 -3.859 2.157 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.529 -4.804 0.545 1.00 9.13 C ATOM 0 H VAL A 5 0.535 -7.623 2.000 1.00 4.44 H new ATOM 0 HA VAL A 5 0.490 -5.069 3.535 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.257 -5.800 1.211 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.631 -3.328 1.301 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.015 -4.106 2.855 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.482 -3.225 2.656 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.038 -4.304 -0.290 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.308 -4.157 0.949 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.976 -5.736 0.198 1.00 9.13 H new ATOM 92 N LYS A 6 -1.553 -5.883 4.798 1.00 6.04 N ATOM 93 CA LYS A 6 -2.470 -6.421 5.741 1.00 6.12 C ATOM 94 C LYS A 6 -3.750 -5.499 5.744 1.00 6.57 C ATOM 95 O LYS A 6 -3.749 -4.293 5.919 1.00 5.76 O ATOM 96 CB LYS A 6 -1.815 -6.590 7.039 1.00 7.45 C ATOM 97 CG LYS A 6 -2.535 -7.619 7.962 1.00 11.12 C ATOM 98 CD LYS A 6 -1.853 -7.625 9.351 1.00 14.54 C ATOM 99 CE LYS A 6 -2.081 -8.784 10.306 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.211 -8.606 11.477 1.00 20.55 N ATOM 0 H LYS A 6 -1.265 -4.935 5.041 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.803 -7.424 5.475 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.786 -6.912 6.880 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.772 -5.626 7.545 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.589 -7.359 8.063 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.493 -8.614 7.519 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.778 -7.549 9.184 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.161 -6.715 9.867 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -3.126 -8.821 10.613 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.861 -9.730 9.812 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.357 -9.393 12.141 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.217 -8.590 11.172 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.443 -7.709 11.949 1.00 20.55 H new ATOM 114 N THR A 7 -4.928 -6.157 5.643 1.00 7.41 N ATOM 115 CA THR A 7 -6.267 -5.565 5.546 1.00 7.48 C ATOM 116 C THR A 7 -6.848 -5.206 6.887 1.00 8.75 C ATOM 117 O THR A 7 -6.309 -5.714 7.896 1.00 8.58 O ATOM 118 CB THR A 7 -7.238 -6.428 4.728 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.515 -7.626 5.417 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.624 -6.753 3.351 1.00 9.17 C ATOM 0 H THR A 7 -4.963 -7.176 5.627 1.00 7.41 H new ATOM 0 HA THR A 7 -6.131 -4.631 5.001 1.00 7.48 H new ATOM 0 HB THR A 7 -8.165 -5.874 4.585 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.136 -8.170 4.890 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.320 -7.366 2.778 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.428 -5.826 2.812 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.690 -7.297 3.489 1.00 9.17 H new ATOM 128 N LEU A 8 -8.010 -4.451 6.920 1.00 9.84 N ATOM 129 CA LEU A 8 -8.823 -4.058 8.102 1.00 14.15 C ATOM 130 C LEU A 8 -9.277 -5.320 8.864 1.00 17.37 C ATOM 131 O LEU A 8 -9.150 -5.436 10.055 1.00 17.01 O ATOM 132 CB LEU A 8 -10.226 -3.421 7.713 1.00 16.63 C ATOM 133 CG LEU A 8 -10.111 -1.996 7.171 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.521 -1.510 6.943 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.420 -1.089 8.164 1.00 18.59 C ATOM 0 H LEU A 8 -8.414 -4.086 6.057 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.185 -3.368 8.654 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.708 -4.050 6.964 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.872 -3.418 8.591 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.522 -1.985 6.254 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.497 -0.492 6.554 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -12.019 -2.161 6.224 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -12.068 -1.525 7.886 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.352 -0.082 7.751 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.991 -1.063 9.092 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.418 -1.467 8.365 1.00 18.59 H new ATOM 147 N THR A 9 -9.881 -6.334 8.173 1.00 18.33 N ATOM 148 CA THR A 9 -10.288 -7.591 8.744 1.00 19.24 C ATOM 149 C THR A 9 -9.213 -8.598 9.164 1.00 19.48 C ATOM 150 O THR A 9 -9.457 -9.529 9.979 1.00 23.14 O ATOM 151 CB THR A 9 -11.275 -8.410 7.926 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.742 -8.672 6.650 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.583 -7.645 7.787 1.00 19.70 C ATOM 0 H THR A 9 -10.090 -6.265 7.177 1.00 18.33 H new ATOM 0 HA THR A 9 -10.741 -7.156 9.635 1.00 19.24 H new ATOM 0 HB THR A 9 -11.461 -9.356 8.435 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.383 -9.201 6.130 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.288 -8.234 7.201 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.001 -7.457 8.776 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.398 -6.695 7.285 1.00 19.70 H new ATOM 161 N GLY A 10 -7.963 -8.469 8.657 1.00 19.43 N ATOM 162 CA GLY A 10 -6.779 -9.048 9.263 1.00 18.74 C ATOM 163 C GLY A 10 -6.278 -10.137 8.394 1.00 17.62 C ATOM 164 O GLY A 10 -5.660 -11.099 8.965 1.00 19.74 O ATOM 0 H GLY A 10 -7.765 -7.949 7.802 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.011 -8.286 9.392 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.014 -9.435 10.254 1.00 18.74 H new ATOM 168 N LYS A 11 -6.439 -10.146 7.079 1.00 13.56 N ATOM 169 CA LYS A 11 -5.750 -11.120 6.219 1.00 11.91 C ATOM 170 C LYS A 11 -4.451 -10.418 5.784 1.00 10.18 C ATOM 171 O LYS A 11 -4.348 -9.217 5.610 1.00 9.10 O ATOM 172 CB LYS A 11 -6.591 -11.362 4.963 1.00 13.43 C ATOM 173 CG LYS A 11 -6.066 -12.348 3.949 1.00 16.69 C ATOM 174 CD LYS A 11 -7.084 -12.798 2.890 1.00 17.92 C ATOM 175 CE LYS A 11 -7.648 -11.592 2.110 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.428 -11.923 0.916 1.00 21.93 N ATOM 0 H LYS A 11 -7.039 -9.493 6.576 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.578 -12.067 6.730 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.578 -11.699 5.280 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.728 -10.404 4.461 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.210 -11.903 3.442 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.701 -13.229 4.477 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.609 -13.493 2.197 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.900 -13.337 3.372 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.276 -11.008 2.783 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.817 -10.952 1.814 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.326 -11.399 0.932 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.889 -11.661 0.066 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.623 -12.944 0.901 1.00 21.93 H new ATOM 190 N THR A 12 -3.339 -11.145 5.620 1.00 9.63 N ATOM 191 CA THR A 12 -2.071 -10.705 5.158 1.00 9.85 C ATOM 192 C THR A 12 -1.924 -11.276 3.757 1.00 11.66 C ATOM 193 O THR A 12 -2.154 -12.432 3.520 1.00 12.33 O ATOM 194 CB THR A 12 -0.913 -11.153 5.934 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.104 -10.896 7.351 1.00 10.91 O ATOM 196 CG2 THR A 12 0.410 -10.391 5.508 1.00 9.63 C ATOM 0 H THR A 12 -3.332 -12.142 5.834 1.00 9.63 H new ATOM 0 HA THR A 12 -2.065 -9.617 5.231 1.00 9.85 H new ATOM 0 HB THR A 12 -0.816 -12.221 5.738 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.318 -11.205 7.848 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.246 -10.752 6.107 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.613 -10.576 4.453 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.282 -9.321 5.671 1.00 9.63 H new ATOM 204 N ILE A 13 -1.546 -10.399 2.803 1.00 10.42 N ATOM 205 CA ILE A 13 -1.312 -10.701 1.408 1.00 11.84 C ATOM 206 C ILE A 13 0.083 -10.372 1.134 1.00 10.55 C ATOM 207 O ILE A 13 0.741 -9.523 1.753 1.00 11.92 O ATOM 208 CB ILE A 13 -2.315 -9.990 0.420 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.192 -8.432 0.440 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.733 -10.355 0.804 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.033 -7.650 -0.632 1.00 16.46 C ATOM 0 H ILE A 13 -1.392 -9.413 3.015 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.501 -11.759 1.228 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.065 -10.333 -0.584 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.486 -8.079 1.428 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.142 -8.171 0.307 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.431 -9.866 0.124 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.861 -11.436 0.740 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.930 -10.026 1.824 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.864 -6.579 -0.517 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.727 -7.960 -1.631 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.092 -7.867 -0.493 1.00 16.46 H new ATOM 223 N THR A 14 0.734 -11.167 0.209 1.00 9.39 N ATOM 224 CA THR A 14 2.106 -10.979 -0.273 1.00 9.63 C ATOM 225 C THR A 14 2.108 -10.403 -1.645 1.00 11.20 C ATOM 226 O THR A 14 1.351 -10.842 -2.499 1.00 11.63 O ATOM 227 CB THR A 14 2.980 -12.180 -0.257 1.00 10.38 C ATOM 228 OG1 THR A 14 2.794 -13.070 0.815 1.00 16.30 O ATOM 229 CG2 THR A 14 4.467 -11.814 -0.316 1.00 11.66 C ATOM 0 H THR A 14 0.280 -11.974 -0.218 1.00 9.39 H new ATOM 0 HA THR A 14 2.538 -10.292 0.455 1.00 9.63 H new ATOM 0 HB THR A 14 2.664 -12.704 -1.159 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.054 -12.632 1.652 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.067 -12.724 -0.302 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.669 -11.260 -1.233 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.724 -11.197 0.545 1.00 11.66 H new ATOM 237 N LEU A 15 2.994 -9.369 -1.951 1.00 8.29 N ATOM 238 CA LEU A 15 3.037 -8.795 -3.290 1.00 9.03 C ATOM 239 C LEU A 15 4.528 -8.724 -3.699 1.00 8.59 C ATOM 240 O LEU A 15 5.432 -8.989 -2.901 1.00 7.79 O ATOM 241 CB LEU A 15 2.465 -7.410 -3.411 1.00 11.08 C ATOM 242 CG LEU A 15 0.982 -7.262 -3.104 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.653 -5.755 -3.009 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.022 -7.901 -4.077 1.00 15.27 C ATOM 0 H LEU A 15 3.649 -8.956 -1.287 1.00 8.29 H new ATOM 0 HA LEU A 15 2.423 -9.431 -3.927 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.020 -6.752 -2.743 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.641 -7.055 -4.426 1.00 11.08 H new ATOM 0 HG LEU A 15 0.852 -7.817 -2.175 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.407 -5.627 -2.789 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.246 -5.303 -2.214 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.888 -5.271 -3.957 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.037 -7.713 -3.728 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.107 -7.468 -5.069 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.152 -8.976 -4.125 1.00 15.27 H new ATOM 256 N GLU A 16 4.816 -8.288 -4.972 1.00 11.04 N ATOM 257 CA GLU A 16 6.165 -8.026 -5.499 1.00 11.50 C ATOM 258 C GLU A 16 6.297 -6.504 -5.864 1.00 10.13 C ATOM 259 O GLU A 16 5.523 -5.886 -6.637 1.00 9.83 O ATOM 260 CB GLU A 16 6.582 -8.968 -6.621 1.00 17.22 C ATOM 261 CG GLU A 16 8.098 -9.016 -6.947 1.00 23.33 C ATOM 262 CD GLU A 16 9.033 -9.458 -5.871 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.672 -10.469 -5.234 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.155 -8.838 -5.682 1.00 28.90 O ATOM 0 H GLU A 16 4.085 -8.111 -5.661 1.00 11.04 H new ATOM 0 HA GLU A 16 6.885 -8.248 -4.712 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.255 -9.975 -6.362 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.046 -8.682 -7.526 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.235 -9.679 -7.801 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.403 -8.019 -7.265 1.00 23.33 H new ATOM 271 N VAL A 17 7.324 -5.764 -5.377 1.00 8.99 N ATOM 272 CA VAL A 17 7.589 -4.358 -5.710 1.00 8.85 C ATOM 273 C VAL A 17 9.051 -4.147 -6.032 1.00 8.04 C ATOM 274 O VAL A 17 9.822 -5.079 -6.155 1.00 8.99 O ATOM 275 CB VAL A 17 7.063 -3.457 -4.607 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.529 -3.579 -4.441 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.768 -3.813 -3.251 1.00 10.54 C ATOM 0 H VAL A 17 8.006 -6.148 -4.723 1.00 8.99 H new ATOM 0 HA VAL A 17 7.050 -4.083 -6.617 1.00 8.85 H new ATOM 0 HB VAL A 17 7.287 -2.428 -4.887 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.196 -2.917 -3.641 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.039 -3.298 -5.373 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.271 -4.608 -4.192 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.388 -3.164 -2.462 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.563 -4.853 -2.996 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.844 -3.670 -3.352 1.00 10.54 H new ATOM 287 N GLU A 18 9.480 -2.904 -6.114 1.00 7.29 N ATOM 288 CA GLU A 18 10.858 -2.523 -6.312 1.00 7.08 C ATOM 289 C GLU A 18 11.078 -1.211 -5.502 1.00 6.45 C ATOM 290 O GLU A 18 10.125 -0.415 -5.357 1.00 5.28 O ATOM 291 CB GLU A 18 11.238 -2.429 -7.803 1.00 10.28 C ATOM 292 CG GLU A 18 10.594 -1.305 -8.608 1.00 12.65 C ATOM 293 CD GLU A 18 11.221 -1.293 -10.020 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.439 -0.952 -10.172 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.567 -1.798 -10.944 1.00 18.17 O ATOM 0 H GLU A 18 8.852 -2.103 -6.041 1.00 7.29 H new ATOM 0 HA GLU A 18 11.538 -3.290 -5.940 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.320 -2.319 -7.871 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.984 -3.376 -8.279 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.516 -1.455 -8.673 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.753 -0.346 -8.115 1.00 12.65 H new ATOM 302 N PRO A 19 12.252 -0.828 -4.983 1.00 7.24 N ATOM 303 CA PRO A 19 12.354 0.271 -4.079 1.00 7.07 C ATOM 304 C PRO A 19 12.059 1.606 -4.655 1.00 6.65 C ATOM 305 O PRO A 19 11.644 2.547 -3.963 1.00 6.37 O ATOM 306 CB PRO A 19 13.805 0.233 -3.653 1.00 7.61 C ATOM 307 CG PRO A 19 14.332 -1.215 -3.892 1.00 8.16 C ATOM 308 CD PRO A 19 13.475 -1.671 -5.063 1.00 7.49 C ATOM 0 HA PRO A 19 11.615 0.159 -3.285 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.391 0.952 -4.226 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.902 0.507 -2.602 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.395 -1.228 -4.134 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.197 -1.849 -3.016 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.993 -1.530 -6.012 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.232 -2.731 -4.987 1.00 7.49 H new ATOM 316 N SER A 20 12.236 1.828 -6.001 1.00 6.80 N ATOM 317 CA SER A 20 11.913 3.134 -6.617 1.00 6.28 C ATOM 318 C SER A 20 10.547 3.132 -7.221 1.00 8.45 C ATOM 319 O SER A 20 10.179 4.017 -7.978 1.00 7.26 O ATOM 320 CB SER A 20 12.936 3.531 -7.668 1.00 8.57 C ATOM 321 OG SER A 20 13.056 2.622 -8.758 1.00 11.13 O ATOM 0 H SER A 20 12.592 1.129 -6.653 1.00 6.80 H new ATOM 0 HA SER A 20 11.940 3.870 -5.813 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.671 4.513 -8.060 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.909 3.631 -7.188 1.00 8.57 H new ATOM 0 HG SER A 20 13.731 2.952 -9.387 1.00 11.13 H new ATOM 327 N ASP A 21 9.721 2.141 -6.936 1.00 7.50 N ATOM 328 CA ASP A 21 8.345 2.247 -7.309 1.00 7.70 C ATOM 329 C ASP A 21 7.614 3.184 -6.412 1.00 7.08 C ATOM 330 O ASP A 21 8.190 3.720 -5.485 1.00 8.11 O ATOM 331 CB ASP A 21 7.615 0.876 -7.273 1.00 11.00 C ATOM 332 CG ASP A 21 6.399 0.752 -8.170 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.124 1.607 -9.018 1.00 18.03 O ATOM 334 OD2 ASP A 21 5.743 -0.330 -8.103 1.00 14.36 O ATOM 0 H ASP A 21 9.982 1.278 -6.459 1.00 7.50 H new ATOM 0 HA ASP A 21 8.343 2.624 -8.332 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.328 0.099 -7.549 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.308 0.676 -6.246 1.00 11.00 H new ATOM 339 N THR A 22 6.338 3.493 -6.734 1.00 5.37 N ATOM 340 CA THR A 22 5.545 4.498 -6.187 1.00 6.01 C ATOM 341 C THR A 22 4.292 3.962 -5.562 1.00 8.01 C ATOM 342 O THR A 22 3.760 2.974 -6.011 1.00 8.11 O ATOM 343 CB THR A 22 5.178 5.647 -7.123 1.00 8.92 C ATOM 344 OG1 THR A 22 4.671 5.177 -8.406 1.00 10.22 O ATOM 345 CG2 THR A 22 6.410 6.509 -7.380 1.00 9.65 C ATOM 0 H THR A 22 5.838 2.970 -7.453 1.00 5.37 H new ATOM 0 HA THR A 22 6.200 4.921 -5.425 1.00 6.01 H new ATOM 0 HB THR A 22 4.391 6.220 -6.633 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.448 5.946 -8.971 1.00 10.22 H new ATOM 0 HG21 THR A 22 6.147 7.329 -8.048 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.775 6.913 -6.436 1.00 9.65 H new ATOM 0 HG23 THR A 22 7.190 5.902 -7.840 1.00 9.65 H new ATOM 353 N ILE A 23 3.674 4.684 -4.545 1.00 8.32 N ATOM 354 CA ILE A 23 2.644 4.155 -3.661 1.00 9.92 C ATOM 355 C ILE A 23 1.455 3.789 -4.399 1.00 10.01 C ATOM 356 O ILE A 23 0.892 2.718 -4.186 1.00 8.71 O ATOM 357 CB ILE A 23 2.301 5.063 -2.429 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.597 5.276 -1.559 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.176 4.534 -1.509 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.279 4.030 -1.031 1.00 12.30 C ATOM 0 H ILE A 23 3.908 5.657 -4.346 1.00 8.32 H new ATOM 0 HA ILE A 23 3.080 3.255 -3.228 1.00 9.92 H new ATOM 0 HB ILE A 23 1.929 5.994 -2.857 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.320 5.831 -2.157 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.335 5.906 -0.709 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.017 5.234 -0.689 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.255 4.432 -2.083 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.462 3.563 -1.106 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.156 4.314 -0.449 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.586 3.477 -0.396 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.586 3.401 -1.867 1.00 12.30 H new ATOM 372 N GLU A 24 0.988 4.643 -5.356 1.00 9.54 N ATOM 373 CA GLU A 24 -0.063 4.368 -6.329 1.00 11.81 C ATOM 374 C GLU A 24 0.067 3.116 -7.078 1.00 11.14 C ATOM 375 O GLU A 24 -0.880 2.293 -7.223 1.00 10.62 O ATOM 376 CB GLU A 24 -0.275 5.504 -7.290 1.00 19.24 C ATOM 377 CG GLU A 24 -1.680 5.598 -7.828 1.00 27.76 C ATOM 378 CD GLU A 24 -1.949 6.721 -8.864 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.631 7.901 -8.554 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.489 6.400 -9.946 1.00 34.80 O ATOM 0 H GLU A 24 1.367 5.585 -5.458 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.941 4.250 -5.694 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.025 6.440 -6.791 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.416 5.393 -8.125 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.935 4.642 -8.286 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.359 5.739 -6.987 1.00 27.76 H new ATOM 387 N ASN A 25 1.302 2.821 -7.617 1.00 9.43 N ATOM 388 CA ASN A 25 1.569 1.531 -8.315 1.00 10.96 C ATOM 389 C ASN A 25 1.443 0.328 -7.394 1.00 9.68 C ATOM 390 O ASN A 25 1.074 -0.774 -7.773 1.00 9.33 O ATOM 391 CB ASN A 25 2.947 1.573 -8.986 1.00 16.78 C ATOM 392 CG ASN A 25 2.998 2.539 -10.132 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.158 3.380 -10.482 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.112 2.432 -10.946 1.00 24.70 N ATOM 0 H ASN A 25 2.104 3.450 -7.578 1.00 9.43 H new ATOM 0 HA ASN A 25 0.803 1.409 -9.081 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.699 1.850 -8.247 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.204 0.576 -9.344 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.199 3.025 -11.772 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.846 1.761 -10.720 1.00 24.70 H new ATOM 401 N VAL A 26 1.724 0.477 -6.056 1.00 6.52 N ATOM 402 CA VAL A 26 1.324 -0.559 -5.105 1.00 5.53 C ATOM 403 C VAL A 26 -0.177 -0.681 -4.932 1.00 4.42 C ATOM 404 O VAL A 26 -0.729 -1.743 -4.975 1.00 3.40 O ATOM 405 CB VAL A 26 1.965 -0.403 -3.748 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.558 -1.609 -2.840 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.494 -0.218 -3.784 1.00 8.12 C ATOM 0 H VAL A 26 2.206 1.278 -5.648 1.00 6.52 H new ATOM 0 HA VAL A 26 1.691 -1.478 -5.561 1.00 5.53 H new ATOM 0 HB VAL A 26 1.586 0.528 -3.326 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.020 -1.498 -1.859 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.474 -1.632 -2.730 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.896 -2.539 -3.297 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.872 -0.114 -2.767 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.955 -1.086 -4.255 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.739 0.677 -4.356 1.00 8.12 H new ATOM 417 N LYS A 27 -0.979 0.380 -4.834 1.00 2.64 N ATOM 418 CA LYS A 27 -2.448 0.337 -4.783 1.00 4.14 C ATOM 419 C LYS A 27 -3.075 -0.334 -6.017 1.00 5.58 C ATOM 420 O LYS A 27 -4.010 -1.103 -5.949 1.00 4.11 O ATOM 421 CB LYS A 27 -3.120 1.711 -4.629 1.00 3.97 C ATOM 422 CG LYS A 27 -2.707 2.324 -3.307 1.00 7.45 C ATOM 423 CD LYS A 27 -3.290 3.779 -3.096 1.00 9.02 C ATOM 424 CE LYS A 27 -2.866 4.402 -1.768 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.353 5.843 -1.784 1.00 15.47 N ATOM 0 H LYS A 27 -0.613 1.331 -4.786 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.636 -0.255 -3.887 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.831 2.364 -5.452 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.204 1.605 -4.671 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.043 1.682 -2.493 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.619 2.362 -3.254 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.960 4.419 -3.914 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.378 3.739 -3.142 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.299 3.857 -0.929 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.783 4.361 -1.650 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.115 6.300 -0.881 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -2.893 6.356 -2.563 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.384 5.860 -1.919 1.00 15.47 H new ATOM 439 N ALA A 28 -2.508 -0.094 -7.182 1.00 6.61 N ATOM 440 CA ALA A 28 -2.903 -0.765 -8.413 1.00 7.74 C ATOM 441 C ALA A 28 -2.702 -2.329 -8.342 1.00 9.17 C ATOM 442 O ALA A 28 -3.569 -3.111 -8.719 1.00 11.45 O ATOM 443 CB ALA A 28 -2.027 -0.097 -9.494 1.00 7.68 C ATOM 0 H ALA A 28 -1.752 0.579 -7.306 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.967 -0.658 -8.622 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.251 -0.536 -10.466 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.236 0.972 -9.522 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.975 -0.255 -9.258 1.00 7.68 H new ATOM 449 N LYS A 29 -1.554 -2.743 -7.814 1.00 8.96 N ATOM 450 CA LYS A 29 -1.187 -4.157 -7.610 1.00 7.90 C ATOM 451 C LYS A 29 -2.070 -4.883 -6.580 1.00 6.92 C ATOM 452 O LYS A 29 -2.478 -6.012 -6.806 1.00 6.87 O ATOM 453 CB LYS A 29 0.236 -4.148 -7.210 1.00 10.28 C ATOM 454 CG LYS A 29 1.024 -5.446 -7.327 1.00 14.94 C ATOM 455 CD LYS A 29 2.510 -5.221 -7.240 1.00 19.69 C ATOM 456 CE LYS A 29 3.039 -4.831 -8.652 1.00 22.63 C ATOM 457 NZ LYS A 29 4.374 -4.247 -8.545 1.00 24.98 N ATOM 0 H LYS A 29 -0.829 -2.095 -7.506 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.347 -4.722 -8.528 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.746 -3.394 -7.809 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.288 -3.819 -6.172 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.715 -6.129 -6.536 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.787 -5.929 -8.275 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.731 -4.431 -6.522 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.009 -6.123 -6.885 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.069 -5.712 -9.293 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.359 -4.119 -9.120 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.858 -4.317 -9.463 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.294 -3.247 -8.271 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.921 -4.761 -7.825 1.00 24.98 H new ATOM 471 N ILE A 30 -2.474 -4.130 -5.529 1.00 4.57 N ATOM 472 CA ILE A 30 -3.510 -4.474 -4.514 1.00 5.58 C ATOM 473 C ILE A 30 -4.918 -4.671 -5.123 1.00 7.26 C ATOM 474 O ILE A 30 -5.619 -5.613 -4.823 1.00 9.46 O ATOM 475 CB ILE A 30 -3.614 -3.521 -3.341 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.257 -3.547 -2.510 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.867 -3.859 -2.475 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.216 -2.497 -1.418 1.00 2.00 C ATOM 0 H ILE A 30 -2.065 -3.213 -5.353 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.142 -5.423 -4.125 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.754 -2.501 -3.699 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.128 -4.533 -2.064 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.418 -3.392 -3.188 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.928 -3.165 -1.636 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.766 -3.770 -3.085 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.784 -4.878 -2.098 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.267 -2.563 -0.885 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.315 -1.506 -1.862 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.036 -2.666 -0.720 1.00 2.00 H new ATOM 490 N GLN A 31 -5.303 -3.854 -6.150 1.00 7.06 N ATOM 491 CA GLN A 31 -6.469 -4.060 -6.976 1.00 8.67 C ATOM 492 C GLN A 31 -6.474 -5.343 -7.762 1.00 10.90 C ATOM 493 O GLN A 31 -7.468 -6.053 -7.930 1.00 9.63 O ATOM 494 CB GLN A 31 -6.644 -2.935 -7.985 1.00 9.12 C ATOM 495 CG GLN A 31 -7.995 -2.997 -8.785 1.00 10.76 C ATOM 496 CD GLN A 31 -8.213 -1.749 -9.694 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.269 -1.054 -10.056 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.502 -1.405 -9.986 1.00 14.76 N ATOM 0 H GLN A 31 -4.776 -3.020 -6.409 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.283 -4.095 -6.252 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.587 -1.980 -7.462 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.814 -2.962 -8.691 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.007 -3.896 -9.401 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.825 -3.080 -8.083 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.271 -1.998 -9.675 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.696 -0.555 -10.515 1.00 14.76 H new ATOM 507 N ASP A 32 -5.299 -5.716 -8.221 1.00 10.93 N ATOM 508 CA ASP A 32 -5.005 -6.978 -8.897 1.00 14.01 C ATOM 509 C ASP A 32 -5.118 -8.222 -8.029 1.00 14.04 C ATOM 510 O ASP A 32 -5.723 -9.236 -8.427 1.00 13.39 O ATOM 511 CB ASP A 32 -3.651 -6.964 -9.606 1.00 18.01 C ATOM 512 CG ASP A 32 -3.547 -8.018 -10.761 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.023 -7.748 -11.897 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.968 -9.074 -10.456 1.00 26.29 O ATOM 0 H ASP A 32 -4.475 -5.122 -8.132 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.800 -7.049 -9.639 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.472 -5.969 -10.014 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.864 -7.156 -8.876 1.00 18.01 H new ATOM 519 N LYS A 33 -4.624 -8.146 -6.786 1.00 14.22 N ATOM 520 CA LYS A 33 -4.751 -9.157 -5.735 1.00 14.00 C ATOM 521 C LYS A 33 -6.093 -9.287 -5.022 1.00 12.37 C ATOM 522 O LYS A 33 -6.621 -10.380 -4.925 1.00 12.17 O ATOM 523 CB LYS A 33 -3.707 -8.758 -4.652 1.00 18.62 C ATOM 524 CG LYS A 33 -3.518 -9.710 -3.495 1.00 24.00 C ATOM 525 CD LYS A 33 -2.954 -11.130 -3.880 1.00 27.61 C ATOM 526 CE LYS A 33 -1.544 -11.148 -4.513 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.121 -12.470 -4.831 1.00 30.06 N ATOM 0 H LYS A 33 -4.096 -7.331 -6.472 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.615 -10.118 -6.232 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.743 -8.627 -5.143 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.993 -7.787 -4.248 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.841 -9.251 -2.774 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.477 -9.841 -2.993 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.936 -11.748 -2.982 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.649 -11.599 -4.576 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.544 -10.540 -5.417 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.831 -10.695 -3.824 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.171 -12.438 -5.253 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.096 -13.044 -3.964 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.787 -12.894 -5.508 1.00 30.06 H new ATOM 541 N GLU A 34 -6.647 -8.129 -4.627 1.00 10.11 N ATOM 542 CA GLU A 34 -7.860 -8.070 -3.782 1.00 10.07 C ATOM 543 C GLU A 34 -9.072 -7.335 -4.345 1.00 9.32 C ATOM 544 O GLU A 34 -10.109 -7.195 -3.682 1.00 11.61 O ATOM 545 CB GLU A 34 -7.503 -7.378 -2.411 1.00 14.77 C ATOM 546 CG GLU A 34 -6.670 -8.270 -1.433 1.00 18.75 C ATOM 547 CD GLU A 34 -7.463 -9.479 -0.953 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.657 -9.414 -0.511 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.937 -10.650 -1.087 1.00 25.19 O ATOM 0 H GLU A 34 -6.274 -7.214 -4.879 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.158 -9.115 -3.698 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.945 -6.464 -2.614 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.428 -7.083 -1.915 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.762 -8.607 -1.933 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.359 -7.675 -0.574 1.00 18.75 H new ATOM 556 N GLY A 35 -8.981 -6.843 -5.582 1.00 7.22 N ATOM 557 CA GLY A 35 -10.252 -6.239 -6.222 1.00 6.29 C ATOM 558 C GLY A 35 -10.517 -4.791 -5.840 1.00 6.93 C ATOM 559 O GLY A 35 -11.340 -4.154 -6.495 1.00 7.41 O ATOM 0 H GLY A 35 -8.138 -6.827 -6.157 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.166 -6.307 -7.306 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.112 -6.842 -5.932 1.00 6.29 H new ATOM 563 N ILE A 36 -9.897 -4.264 -4.712 1.00 5.86 N ATOM 564 CA ILE A 36 -10.239 -2.974 -4.198 1.00 6.07 C ATOM 565 C ILE A 36 -9.833 -1.863 -5.113 1.00 6.36 C ATOM 566 O ILE A 36 -8.661 -1.822 -5.472 1.00 6.18 O ATOM 567 CB ILE A 36 -9.531 -2.834 -2.854 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.845 -4.003 -1.882 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.975 -1.564 -2.141 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.003 -4.196 -0.631 1.00 9.49 C ATOM 0 H ILE A 36 -9.171 -4.748 -4.183 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.322 -2.899 -4.098 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.467 -2.822 -3.091 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.881 -3.890 -1.562 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.789 -4.927 -2.457 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.458 -1.484 -1.185 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.735 -0.698 -2.757 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.051 -1.600 -1.970 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.369 -5.060 -0.076 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.963 -4.360 -0.914 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.072 -3.306 -0.005 1.00 9.49 H new ATOM 582 N PRO A 37 -10.680 -0.931 -5.525 1.00 8.65 N ATOM 583 CA PRO A 37 -10.155 0.111 -6.415 1.00 9.18 C ATOM 584 C PRO A 37 -9.094 1.056 -5.844 1.00 9.85 C ATOM 585 O PRO A 37 -9.181 1.400 -4.646 1.00 8.51 O ATOM 586 CB PRO A 37 -11.429 0.953 -6.650 1.00 11.42 C ATOM 587 CG PRO A 37 -12.598 -0.057 -6.465 1.00 9.27 C ATOM 588 CD PRO A 37 -12.163 -0.957 -5.372 1.00 8.33 C ATOM 0 HA PRO A 37 -9.653 -0.353 -7.264 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.498 1.776 -5.939 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.437 1.392 -7.648 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.525 0.456 -6.208 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.786 -0.614 -7.383 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.479 -0.594 -4.394 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.568 -1.963 -5.485 1.00 8.33 H new ATOM 596 N PRO A 38 -8.014 1.440 -6.540 1.00 8.71 N ATOM 597 CA PRO A 38 -6.982 2.293 -5.992 1.00 9.08 C ATOM 598 C PRO A 38 -7.334 3.680 -5.447 1.00 9.28 C ATOM 599 O PRO A 38 -6.588 4.111 -4.600 1.00 6.50 O ATOM 600 CB PRO A 38 -6.013 2.461 -7.176 1.00 10.31 C ATOM 601 CG PRO A 38 -6.877 2.363 -8.425 1.00 10.81 C ATOM 602 CD PRO A 38 -7.827 1.257 -7.965 1.00 12.00 C ATOM 0 HA PRO A 38 -6.623 1.806 -5.085 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.498 3.421 -7.129 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.245 1.687 -7.168 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.394 3.295 -8.655 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.307 2.088 -9.312 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.779 1.320 -8.492 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.409 0.273 -8.178 1.00 12.00 H new ATOM 610 N ASP A 39 -8.469 4.303 -5.885 1.00 11.20 N ATOM 611 CA ASP A 39 -8.885 5.511 -5.229 1.00 14.96 C ATOM 612 C ASP A 39 -9.429 5.284 -3.812 1.00 13.99 C ATOM 613 O ASP A 39 -9.539 6.254 -3.076 1.00 13.75 O ATOM 614 CB ASP A 39 -9.979 6.129 -6.174 1.00 24.16 C ATOM 615 CG ASP A 39 -9.182 6.593 -7.334 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.362 7.572 -7.241 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.343 6.058 -8.447 1.00 34.22 O ATOM 0 H ASP A 39 -9.063 3.985 -6.651 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.035 6.177 -5.079 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.726 5.391 -6.465 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.512 6.950 -5.694 1.00 24.16 H new ATOM 622 N GLN A 40 -9.802 4.016 -3.477 1.00 11.60 N ATOM 623 CA GLN A 40 -10.565 3.665 -2.301 1.00 10.76 C ATOM 624 C GLN A 40 -9.614 2.976 -1.221 1.00 8.01 C ATOM 625 O GLN A 40 -10.163 2.300 -0.330 1.00 8.96 O ATOM 626 CB GLN A 40 -11.677 2.669 -2.721 1.00 11.14 C ATOM 627 CG GLN A 40 -12.686 3.457 -3.659 1.00 14.85 C ATOM 628 CD GLN A 40 -13.912 2.623 -3.911 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.312 1.872 -3.036 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.524 2.613 -5.145 1.00 18.16 N ATOM 0 H GLN A 40 -9.561 3.207 -4.050 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.004 4.561 -1.862 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.250 1.815 -3.247 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.193 2.277 -1.845 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.968 4.401 -3.192 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.201 3.701 -4.604 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.196 3.237 -5.882 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.305 1.981 -5.322 1.00 18.16 H new ATOM 639 N GLN A 41 -8.293 3.258 -1.255 1.00 6.52 N ATOM 640 CA GLN A 41 -7.314 2.702 -0.325 1.00 3.87 C ATOM 641 C GLN A 41 -6.410 3.710 0.402 1.00 4.79 C ATOM 642 O GLN A 41 -5.846 4.562 -0.240 1.00 6.34 O ATOM 643 CB GLN A 41 -6.353 1.763 -1.031 1.00 4.20 C ATOM 644 CG GLN A 41 -7.043 0.615 -1.824 1.00 3.20 C ATOM 645 CD GLN A 41 -5.941 -0.072 -2.656 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.780 -0.024 -2.308 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.331 -0.640 -3.825 1.00 7.13 N ATOM 0 H GLN A 41 -7.882 3.889 -1.943 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.956 2.215 0.408 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.736 2.343 -1.718 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.682 1.325 -0.292 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.515 -0.095 -1.145 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.828 1.008 -2.470 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.319 -0.658 -4.078 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.636 -1.049 -4.450 1.00 7.13 H new ATOM 656 N ARG A 42 -6.372 3.678 1.731 1.00 5.73 N ATOM 657 CA ARG A 42 -5.394 4.349 2.568 1.00 6.97 C ATOM 658 C ARG A 42 -4.363 3.253 3.044 1.00 7.15 C ATOM 659 O ARG A 42 -4.643 2.281 3.731 1.00 7.33 O ATOM 660 CB ARG A 42 -6.026 5.037 3.769 1.00 13.23 C ATOM 661 CG ARG A 42 -7.110 6.119 3.348 1.00 21.27 C ATOM 662 CD ARG A 42 -7.417 7.143 4.452 1.00 26.14 C ATOM 663 NE ARG A 42 -8.085 8.300 3.732 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.410 8.587 3.803 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.246 7.703 4.309 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.782 9.759 3.309 1.00 36.39 N ATOM 0 H ARG A 42 -7.058 3.156 2.276 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.907 5.137 1.993 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.494 4.288 4.408 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.247 5.519 4.360 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.759 6.647 2.461 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.032 5.609 3.071 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.072 6.720 5.213 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.507 7.464 4.958 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.498 8.903 3.155 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.897 6.806 4.646 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.242 7.916 4.364 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.086 10.386 2.905 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.764 10.034 3.332 1.00 36.39 H new ATOM 680 N LEU A 43 -3.105 3.436 2.664 1.00 4.65 N ATOM 681 CA LEU A 43 -1.952 2.649 3.131 1.00 3.51 C ATOM 682 C LEU A 43 -1.224 3.395 4.147 1.00 5.56 C ATOM 683 O LEU A 43 -0.915 4.568 3.987 1.00 4.19 O ATOM 684 CB LEU A 43 -0.912 2.349 1.962 1.00 3.74 C ATOM 685 CG LEU A 43 -1.469 1.522 0.829 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.388 1.311 -0.169 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.122 0.184 1.247 1.00 6.41 C ATOM 0 H LEU A 43 -2.841 4.162 1.997 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.355 1.712 3.516 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.551 3.296 1.561 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.050 1.832 2.383 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.297 2.086 0.400 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.769 0.715 -0.998 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.045 2.276 -0.544 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.445 0.788 0.301 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.490 -0.334 0.361 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.383 -0.440 1.751 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.953 0.381 1.924 1.00 6.41 H new ATOM 699 N ILE A 44 -0.906 2.680 5.255 1.00 4.58 N ATOM 700 CA ILE A 44 -0.232 3.143 6.434 1.00 5.55 C ATOM 701 C ILE A 44 0.961 2.332 6.588 1.00 5.46 C ATOM 702 O ILE A 44 0.914 1.083 6.617 1.00 6.04 O ATOM 703 CB ILE A 44 -1.043 3.307 7.682 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.308 4.237 7.508 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.187 3.725 8.919 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.173 4.190 8.791 1.00 13.90 C ATOM 0 H ILE A 44 -1.145 1.691 5.325 1.00 4.58 H new ATOM 0 HA ILE A 44 0.024 4.190 6.274 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.430 2.308 7.884 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.993 5.261 7.308 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.896 3.911 6.650 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.833 3.827 9.791 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.567 2.963 9.114 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.303 4.677 8.717 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.044 4.833 8.666 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.500 3.166 8.972 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.584 4.538 9.640 1.00 13.90 H new ATOM 718 N PHE A 45 2.139 3.014 6.853 1.00 6.75 N ATOM 719 CA PHE A 45 3.297 2.316 7.408 1.00 4.70 C ATOM 720 C PHE A 45 4.159 3.264 8.274 1.00 6.34 C ATOM 721 O PHE A 45 4.254 4.441 7.995 1.00 5.45 O ATOM 722 CB PHE A 45 4.174 1.706 6.223 1.00 5.51 C ATOM 723 CG PHE A 45 5.567 1.257 6.585 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.727 0.305 7.510 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.722 2.034 6.150 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.033 -0.006 8.032 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.005 1.672 6.610 1.00 6.64 C ATOM 728 CZ PHE A 45 8.134 0.693 7.608 1.00 6.84 C ATOM 0 H PHE A 45 2.278 4.011 6.687 1.00 6.75 H new ATOM 0 HA PHE A 45 2.939 1.510 8.048 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.638 0.854 5.804 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.250 2.454 5.434 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.866 -0.238 7.871 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.596 2.875 5.485 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.146 -0.794 8.762 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.883 2.145 6.197 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.102 0.490 8.042 1.00 6.84 H new ATOM 738 N ALA A 46 4.774 2.805 9.359 1.00 6.53 N ATOM 739 CA ALA A 46 5.716 3.570 10.181 1.00 7.15 C ATOM 740 C ALA A 46 5.212 4.824 10.760 1.00 9.00 C ATOM 741 O ALA A 46 5.887 5.852 10.850 1.00 11.15 O ATOM 742 CB ALA A 46 7.131 3.746 9.542 1.00 8.99 C ATOM 0 H ALA A 46 4.628 1.857 9.706 1.00 6.53 H new ATOM 0 HA ALA A 46 5.835 2.909 11.039 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.765 4.323 10.215 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.578 2.766 9.373 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.038 4.271 8.591 1.00 8.99 H new ATOM 748 N GLY A 47 3.896 4.770 11.140 1.00 9.35 N ATOM 749 CA GLY A 47 3.326 5.974 11.743 1.00 11.68 C ATOM 750 C GLY A 47 2.806 7.076 10.790 1.00 11.14 C ATOM 751 O GLY A 47 2.260 8.107 11.164 1.00 13.93 O ATOM 0 H GLY A 47 3.272 3.969 11.043 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.500 5.669 12.386 1.00 11.68 H new ATOM 0 HA3 GLY A 47 4.085 6.418 12.388 1.00 11.68 H new ATOM 755 N LYS A 48 2.966 6.828 9.460 1.00 10.47 N ATOM 756 CA LYS A 48 2.536 7.774 8.381 1.00 8.82 C ATOM 757 C LYS A 48 1.569 7.149 7.334 1.00 7.68 C ATOM 758 O LYS A 48 1.697 6.008 6.893 1.00 6.47 O ATOM 759 CB LYS A 48 3.712 8.324 7.668 1.00 9.74 C ATOM 760 CG LYS A 48 4.500 9.414 8.527 1.00 14.14 C ATOM 761 CD LYS A 48 5.527 10.202 7.695 1.00 16.32 C ATOM 762 CE LYS A 48 6.714 9.346 7.108 1.00 20.04 C ATOM 763 NZ LYS A 48 7.676 10.207 6.342 1.00 23.92 N ATOM 0 H LYS A 48 3.394 5.973 9.103 1.00 10.47 H new ATOM 0 HA LYS A 48 1.989 8.562 8.898 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.390 7.510 7.412 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.385 8.773 6.730 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.785 10.110 8.966 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.011 8.919 9.352 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.006 10.687 6.869 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.944 10.994 8.317 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.239 8.843 7.920 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.317 8.569 6.455 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.447 9.618 5.967 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.178 10.668 5.554 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.071 10.933 6.974 1.00 23.92 H new ATOM 777 N GLN A 49 0.628 7.941 6.801 1.00 8.89 N ATOM 778 CA GLN A 49 -0.215 7.569 5.679 1.00 7.18 C ATOM 779 C GLN A 49 0.450 7.915 4.332 1.00 8.23 C ATOM 780 O GLN A 49 0.909 9.070 4.161 1.00 9.70 O ATOM 781 CB GLN A 49 -1.494 8.356 5.897 1.00 11.67 C ATOM 782 CG GLN A 49 -2.721 8.078 4.963 1.00 15.82 C ATOM 783 CD GLN A 49 -3.791 8.994 5.308 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.759 8.706 5.997 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.790 10.237 4.727 1.00 20.67 N ATOM 0 H GLN A 49 0.435 8.878 7.154 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.397 6.495 5.633 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.816 8.184 6.924 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.248 9.415 5.813 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.437 8.207 3.919 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.056 7.047 5.077 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.006 10.526 4.143 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.574 10.872 4.879 1.00 20.67 H new ATOM 794 N LEU A 50 0.609 6.896 3.471 1.00 6.51 N ATOM 795 CA LEU A 50 1.495 6.973 2.379 1.00 7.41 C ATOM 796 C LEU A 50 0.862 7.617 1.196 1.00 8.27 C ATOM 797 O LEU A 50 -0.283 7.377 0.843 1.00 8.34 O ATOM 798 CB LEU A 50 2.071 5.575 2.014 1.00 7.13 C ATOM 799 CG LEU A 50 2.498 4.691 3.231 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.901 3.310 2.725 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.656 5.354 4.018 1.00 9.11 C ATOM 0 H LEU A 50 0.110 6.009 3.543 1.00 6.51 H new ATOM 0 HA LEU A 50 2.327 7.606 2.688 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.324 5.032 1.436 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.936 5.714 1.366 1.00 7.13 H new ATOM 0 HG LEU A 50 1.657 4.591 3.917 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.200 2.687 3.568 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.056 2.849 2.215 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.736 3.406 2.030 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.934 4.719 4.859 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.516 5.483 3.361 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.334 6.327 4.389 1.00 9.11 H new ATOM 813 N GLU A 51 1.557 8.500 0.509 1.00 9.43 N ATOM 814 CA GLU A 51 0.952 9.300 -0.562 1.00 11.90 C ATOM 815 C GLU A 51 1.386 8.887 -1.934 1.00 11.49 C ATOM 816 O GLU A 51 2.541 8.505 -2.089 1.00 9.88 O ATOM 817 CB GLU A 51 1.277 10.807 -0.393 1.00 16.56 C ATOM 818 CG GLU A 51 0.489 11.778 -1.227 1.00 26.06 C ATOM 819 CD GLU A 51 0.527 13.212 -0.714 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.533 13.873 -1.104 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.395 13.643 -0.031 1.00 32.13 O ATOM 0 H GLU A 51 2.547 8.690 0.666 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.120 9.123 -0.471 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.133 11.068 0.655 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.334 10.951 -0.615 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.872 11.758 -2.247 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.548 11.446 -1.269 1.00 26.06 H new ATOM 828 N ASP A 52 0.479 8.883 -2.943 1.00 12.71 N ATOM 829 CA ASP A 52 0.498 8.117 -4.116 1.00 16.56 C ATOM 830 C ASP A 52 1.713 8.268 -4.967 1.00 15.83 C ATOM 831 O ASP A 52 2.389 7.329 -5.361 1.00 17.21 O ATOM 832 CB ASP A 52 -0.759 8.562 -4.918 1.00 21.05 C ATOM 833 CG ASP A 52 -2.000 8.471 -4.031 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.594 7.352 -3.850 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.305 9.519 -3.405 1.00 28.37 O ATOM 0 H ASP A 52 -0.342 9.488 -2.907 1.00 12.71 H new ATOM 0 HA ASP A 52 0.505 7.064 -3.835 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.631 9.584 -5.275 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.883 7.930 -5.798 1.00 21.05 H new ATOM 840 N GLY A 53 2.020 9.502 -5.305 1.00 15.00 N ATOM 841 CA GLY A 53 3.107 9.848 -6.211 1.00 11.77 C ATOM 842 C GLY A 53 4.489 9.809 -5.663 1.00 11.10 C ATOM 843 O GLY A 53 5.447 10.165 -6.363 1.00 11.25 O ATOM 0 H GLY A 53 1.513 10.314 -4.953 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.063 9.172 -7.065 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.923 10.853 -6.591 1.00 11.77 H new ATOM 847 N ARG A 54 4.622 9.423 -4.345 1.00 8.53 N ATOM 848 CA ARG A 54 5.883 9.201 -3.675 1.00 9.05 C ATOM 849 C ARG A 54 6.411 7.731 -3.689 1.00 8.96 C ATOM 850 O ARG A 54 5.634 6.797 -3.863 1.00 11.60 O ATOM 851 CB ARG A 54 5.828 9.799 -2.234 1.00 7.97 C ATOM 852 CG ARG A 54 5.055 11.087 -2.167 1.00 9.62 C ATOM 853 CD ARG A 54 5.150 11.880 -0.855 1.00 12.20 C ATOM 854 NE ARG A 54 4.338 13.060 -0.975 1.00 18.23 N ATOM 855 CZ ARG A 54 4.890 14.228 -1.375 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.137 14.520 -1.603 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.938 15.186 -1.512 1.00 23.38 N ATOM 0 H ARG A 54 3.817 9.264 -3.739 1.00 8.53 H new ATOM 0 HA ARG A 54 6.630 9.731 -4.266 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.373 9.072 -1.561 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.844 9.971 -1.878 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.394 11.730 -2.979 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.005 10.864 -2.355 1.00 9.62 H new ATOM 0 HD2 ARG A 54 4.810 11.270 -0.018 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.186 12.152 -0.651 1.00 12.20 H new ATOM 0 HE ARG A 54 3.342 13.016 -0.758 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.858 13.809 -1.481 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.394 15.460 -1.903 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.961 14.966 -1.318 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.200 16.126 -1.809 1.00 23.38 H new ATOM 871 N THR A 55 7.717 7.518 -3.385 1.00 9.05 N ATOM 872 CA THR A 55 8.427 6.281 -3.670 1.00 9.03 C ATOM 873 C THR A 55 8.556 5.450 -2.412 1.00 8.15 C ATOM 874 O THR A 55 8.326 5.744 -1.259 1.00 5.91 O ATOM 875 CB THR A 55 9.792 6.326 -4.363 1.00 11.15 C ATOM 876 OG1 THR A 55 10.778 7.110 -3.677 1.00 11.95 O ATOM 877 CG2 THR A 55 9.774 6.839 -5.789 1.00 11.71 C ATOM 0 H THR A 55 8.299 8.221 -2.929 1.00 9.05 H new ATOM 0 HA THR A 55 7.781 5.843 -4.431 1.00 9.03 H new ATOM 0 HB THR A 55 10.058 5.269 -4.350 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.620 7.089 -4.178 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.787 6.832 -6.191 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.138 6.197 -6.398 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.384 7.857 -5.805 1.00 11.71 H new ATOM 885 N LEU A 56 8.801 4.177 -2.642 1.00 6.91 N ATOM 886 CA LEU A 56 9.109 3.190 -1.541 1.00 8.29 C ATOM 887 C LEU A 56 10.351 3.475 -0.710 1.00 8.05 C ATOM 888 O LEU A 56 10.278 3.390 0.532 1.00 10.17 O ATOM 889 CB LEU A 56 9.184 1.670 -1.992 1.00 6.60 C ATOM 890 CG LEU A 56 7.828 1.031 -2.149 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.839 1.708 -3.145 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.956 -0.465 -2.512 1.00 8.64 C ATOM 0 H LEU A 56 8.801 3.766 -3.576 1.00 6.91 H new ATOM 0 HA LEU A 56 8.228 3.346 -0.918 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.721 1.604 -2.938 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.761 1.108 -1.258 1.00 6.60 H new ATOM 0 HG LEU A 56 7.383 1.172 -1.164 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.903 1.150 -3.164 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.645 2.732 -2.826 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.276 1.716 -4.143 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.962 -0.900 -2.619 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.499 -0.566 -3.451 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.497 -0.986 -1.722 1.00 8.64 H new ATOM 904 N SER A 57 11.473 3.863 -1.281 1.00 8.92 N ATOM 905 CA SER A 57 12.705 4.225 -0.539 1.00 9.00 C ATOM 906 C SER A 57 12.573 5.488 0.232 1.00 9.44 C ATOM 907 O SER A 57 13.138 5.510 1.300 1.00 10.91 O ATOM 908 CB SER A 57 13.977 4.280 -1.405 1.00 10.32 C ATOM 909 OG SER A 57 13.697 5.090 -2.573 1.00 13.59 O ATOM 0 H SER A 57 11.576 3.943 -2.293 1.00 8.92 H new ATOM 0 HA SER A 57 12.825 3.398 0.161 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.805 4.705 -0.837 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.278 3.275 -1.703 1.00 10.32 H new ATOM 0 HG SER A 57 14.497 5.138 -3.137 1.00 13.59 H new ATOM 915 N ASP A 58 11.813 6.502 -0.211 1.00 9.11 N ATOM 916 CA ASP A 58 11.465 7.723 0.574 1.00 7.91 C ATOM 917 C ASP A 58 10.812 7.415 1.938 1.00 9.12 C ATOM 918 O ASP A 58 11.021 8.096 2.935 1.00 8.61 O ATOM 919 CB ASP A 58 10.473 8.665 -0.259 1.00 8.41 C ATOM 920 CG ASP A 58 10.650 10.104 0.194 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.847 10.506 0.292 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.706 10.829 0.502 1.00 10.05 O ATOM 0 H ASP A 58 11.408 6.507 -1.147 1.00 9.11 H new ATOM 0 HA ASP A 58 12.413 8.226 0.764 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.681 8.579 -1.326 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.441 8.349 -0.109 1.00 8.41 H new ATOM 927 N TYR A 59 10.045 6.371 2.002 1.00 7.97 N ATOM 928 CA TYR A 59 9.166 5.904 3.097 1.00 8.45 C ATOM 929 C TYR A 59 9.770 4.774 3.929 1.00 10.98 C ATOM 930 O TYR A 59 9.176 4.119 4.745 1.00 12.95 O ATOM 931 CB TYR A 59 7.806 5.397 2.508 1.00 7.94 C ATOM 932 CG TYR A 59 6.893 6.546 2.234 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.508 7.433 3.317 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.272 6.756 1.022 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.615 8.474 3.118 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.206 7.681 0.853 1.00 6.52 C ATOM 937 CZ TYR A 59 4.947 8.585 1.875 1.00 6.76 C ATOM 938 OH TYR A 59 3.880 9.516 1.682 1.00 7.63 O ATOM 0 H TYR A 59 9.995 5.733 1.208 1.00 7.97 H new ATOM 0 HA TYR A 59 9.027 6.763 3.753 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.986 4.841 1.588 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.334 4.709 3.209 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.927 7.278 4.300 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.610 6.194 0.164 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.431 9.193 3.903 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.612 7.681 -0.049 1.00 6.52 H new ATOM 0 HH TYR A 59 4.158 10.402 1.994 1.00 7.63 H new ATOM 948 N ASN A 60 11.094 4.532 3.652 1.00 12.38 N ATOM 949 CA ASN A 60 11.825 3.416 4.260 1.00 13.94 C ATOM 950 C ASN A 60 11.245 1.970 4.153 1.00 14.16 C ATOM 951 O ASN A 60 11.301 1.270 5.154 1.00 14.26 O ATOM 952 CB ASN A 60 12.290 3.735 5.703 1.00 19.23 C ATOM 953 CG ASN A 60 13.124 5.012 5.730 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.165 5.107 5.073 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.658 6.018 6.554 1.00 24.09 N ATOM 0 H ASN A 60 11.653 5.101 3.016 1.00 12.38 H new ATOM 0 HA ASN A 60 12.680 3.354 3.587 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.423 3.847 6.354 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.876 2.903 6.094 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.181 6.890 6.640 1.00 24.09 H new ATOM 0 HD22 ASN A 60 11.791 5.889 7.076 1.00 24.09 H new ATOM 962 N ILE A 61 10.537 1.667 3.024 1.00 11.08 N ATOM 963 CA ILE A 61 9.910 0.422 2.790 1.00 11.78 C ATOM 964 C ILE A 61 10.982 -0.555 2.288 1.00 13.74 C ATOM 965 O ILE A 61 11.687 -0.291 1.301 1.00 14.60 O ATOM 966 CB ILE A 61 8.640 0.537 1.934 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.688 1.537 2.603 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.998 -0.795 1.723 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.510 1.909 1.657 1.00 11.42 C ATOM 0 H ILE A 61 10.410 2.330 2.260 1.00 11.08 H new ATOM 0 HA ILE A 61 9.505 0.011 3.715 1.00 11.78 H new ATOM 0 HB ILE A 61 8.900 0.904 0.941 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.296 1.109 3.526 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.236 2.438 2.877 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.103 -0.675 1.113 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.697 -1.459 1.215 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.725 -1.224 2.687 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.852 2.619 2.158 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.903 2.359 0.746 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.948 1.010 1.404 1.00 11.42 H new ATOM 981 N GLN A 62 11.232 -1.706 2.962 1.00 13.97 N ATOM 982 CA GLN A 62 12.284 -2.629 2.648 1.00 15.52 C ATOM 983 C GLN A 62 11.691 -3.994 2.496 1.00 13.94 C ATOM 984 O GLN A 62 10.510 -4.184 2.693 1.00 12.15 O ATOM 985 CB GLN A 62 13.333 -2.684 3.796 1.00 19.53 C ATOM 986 CG GLN A 62 14.026 -1.317 4.009 1.00 26.38 C ATOM 987 CD GLN A 62 15.190 -1.366 5.019 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.303 -2.410 5.625 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.025 -0.303 4.994 1.00 32.71 N ATOM 0 H GLN A 62 10.672 -2.001 3.762 1.00 13.97 H new ATOM 0 HA GLN A 62 12.773 -2.302 1.730 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.844 -2.991 4.720 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.084 -3.440 3.566 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.402 -0.956 3.051 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.287 -0.594 4.354 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.793 0.515 4.430 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.887 -0.319 5.539 1.00 32.71 H new ATOM 998 N LYS A 63 12.507 -4.944 2.009 1.00 11.73 N ATOM 999 CA LYS A 63 12.126 -6.377 1.931 1.00 11.97 C ATOM 1000 C LYS A 63 11.443 -6.987 3.160 1.00 10.41 C ATOM 1001 O LYS A 63 11.883 -6.889 4.290 1.00 9.59 O ATOM 1002 CB LYS A 63 13.328 -7.239 1.445 1.00 13.73 C ATOM 1003 CG LYS A 63 14.396 -7.534 2.568 1.00 16.98 C ATOM 1004 CD LYS A 63 15.664 -8.182 2.180 1.00 20.19 C ATOM 1005 CE LYS A 63 15.536 -9.647 1.685 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.375 -10.609 2.865 1.00 25.97 N ATOM 0 H LYS A 63 13.445 -4.749 1.659 1.00 11.73 H new ATOM 0 HA LYS A 63 11.328 -6.395 1.189 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.951 -8.186 1.058 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.818 -6.728 0.616 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.641 -6.587 3.049 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.920 -8.161 3.322 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.130 -7.589 1.393 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.339 -8.163 3.035 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.679 -9.736 1.018 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.419 -9.918 1.107 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.410 -11.590 2.521 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.145 -10.454 3.547 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.461 -10.438 3.330 1.00 25.97 H new ATOM 1020 N GLU A 64 10.297 -7.599 2.883 1.00 10.04 N ATOM 1021 CA GLU A 64 9.349 -8.394 3.718 1.00 10.94 C ATOM 1022 C GLU A 64 8.682 -7.529 4.803 1.00 9.74 C ATOM 1023 O GLU A 64 8.055 -8.046 5.724 1.00 9.42 O ATOM 1024 CB GLU A 64 10.123 -9.670 4.178 1.00 18.31 C ATOM 1025 CG GLU A 64 10.843 -10.433 3.003 1.00 24.16 C ATOM 1026 CD GLU A 64 11.873 -11.457 3.608 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.939 -11.024 4.055 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.446 -12.653 3.734 1.00 32.61 O ATOM 0 H GLU A 64 9.943 -7.552 1.928 1.00 10.04 H new ATOM 0 HA GLU A 64 8.475 -8.742 3.167 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.866 -9.385 4.923 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.426 -10.350 4.667 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.110 -10.956 2.389 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.356 -9.724 2.353 1.00 24.16 H new ATOM 1035 N SER A 65 8.619 -6.190 4.550 1.00 6.85 N ATOM 1036 CA SER A 65 7.803 -5.280 5.318 1.00 6.90 C ATOM 1037 C SER A 65 6.346 -5.484 5.117 1.00 4.72 C ATOM 1038 O SER A 65 5.917 -5.947 4.076 1.00 3.91 O ATOM 1039 CB SER A 65 8.214 -3.832 5.022 1.00 7.28 C ATOM 1040 OG SER A 65 7.789 -2.958 6.034 1.00 10.56 O ATOM 0 H SER A 65 9.144 -5.738 3.801 1.00 6.85 H new ATOM 0 HA SER A 65 7.984 -5.496 6.371 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.298 -3.774 4.922 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.788 -3.520 4.068 1.00 7.28 H new ATOM 0 HG SER A 65 8.200 -2.079 5.901 1.00 10.56 H new ATOM 1046 N THR A 66 5.548 -5.102 6.136 1.00 4.48 N ATOM 1047 CA THR A 66 4.127 -5.149 6.221 1.00 3.80 C ATOM 1048 C THR A 66 3.491 -3.711 6.261 1.00 4.60 C ATOM 1049 O THR A 66 3.769 -2.873 7.154 1.00 5.33 O ATOM 1050 CB THR A 66 3.604 -5.872 7.396 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.071 -7.223 7.537 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.008 -6.086 7.212 1.00 3.40 C ATOM 0 H THR A 66 5.953 -4.719 6.990 1.00 4.48 H new ATOM 0 HA THR A 66 3.844 -5.691 5.318 1.00 3.80 H new ATOM 0 HB THR A 66 3.922 -5.264 8.243 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.677 -7.623 8.340 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.611 -6.620 8.075 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.518 -5.116 7.128 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.820 -6.666 6.309 1.00 3.40 H new ATOM 1060 N LEU A 67 2.820 -3.351 5.161 1.00 4.17 N ATOM 1061 CA LEU A 67 1.981 -2.182 5.131 1.00 3.85 C ATOM 1062 C LEU A 67 0.561 -2.508 5.655 1.00 3.80 C ATOM 1063 O LEU A 67 0.077 -3.671 5.565 1.00 5.54 O ATOM 1064 CB LEU A 67 1.870 -1.611 3.662 1.00 7.18 C ATOM 1065 CG LEU A 67 3.157 -1.606 2.775 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.844 -1.066 1.374 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.382 -0.898 3.418 1.00 11.66 C ATOM 0 H LEU A 67 2.853 -3.867 4.282 1.00 4.17 H new ATOM 0 HA LEU A 67 2.439 -1.433 5.777 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.106 -2.185 3.138 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.508 -0.585 3.729 1.00 7.18 H new ATOM 0 HG LEU A 67 3.467 -2.647 2.687 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.752 -1.070 0.771 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.091 -1.697 0.901 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.466 -0.047 1.453 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.229 -0.943 2.733 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.135 0.144 3.622 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.643 -1.398 4.351 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.069 -1.537 6.267 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.413 -1.746 6.746 1.00 4.17 C ATOM 1081 C HIS A 68 -2.370 -1.018 5.797 1.00 5.32 C ATOM 1082 O HIS A 68 -2.099 0.161 5.465 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.610 -1.196 8.173 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.415 -1.497 9.107 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.255 -0.624 9.960 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.144 -2.717 9.418 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.159 -1.317 10.657 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.158 -2.577 10.365 1.00 16.30 N ATOM 0 H HIS A 68 0.318 -0.610 6.443 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.610 -2.818 6.775 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.762 -0.118 8.123 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.516 -1.626 8.601 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.163 -3.658 8.985 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.820 -0.873 11.386 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.764 -3.306 10.743 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.389 -1.704 5.338 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.334 -1.225 4.374 1.00 3.97 C ATOM 1098 C LEU A 69 -5.621 -0.931 5.097 1.00 5.07 C ATOM 1099 O LEU A 69 -6.266 -1.830 5.591 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.536 -2.360 3.369 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.777 -2.158 2.391 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.791 -0.820 1.602 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.806 -3.266 1.341 1.00 9.96 C ATOM 0 H LEU A 69 -3.586 -2.657 5.645 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.998 -0.321 3.865 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.631 -2.465 2.771 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.667 -3.294 3.915 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.639 -2.168 3.058 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.676 -0.782 0.966 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.811 0.015 2.302 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.896 -0.753 0.983 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.659 -3.117 0.678 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.885 -3.240 0.759 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.895 -4.233 1.835 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.093 0.288 4.999 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.298 0.814 5.550 1.00 6.26 C ATOM 1117 C VAL A 70 -8.174 1.353 4.484 1.00 9.22 C ATOM 1118 O VAL A 70 -7.751 2.164 3.621 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.968 1.985 6.585 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.308 2.651 7.102 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.109 1.388 7.777 1.00 8.54 C ATOM 0 H VAL A 70 -5.583 1.000 4.476 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.812 0.001 6.062 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.387 2.767 6.096 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.070 3.448 7.807 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.858 3.066 6.257 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.920 1.898 7.599 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.878 2.179 8.490 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.677 0.603 8.277 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.182 0.971 7.384 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.416 0.886 4.387 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.292 1.409 3.314 1.00 16.06 C ATOM 1133 C LEU A 71 -10.852 2.801 3.490 1.00 18.09 C ATOM 1134 O LEU A 71 -11.090 3.252 4.598 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.450 0.411 2.947 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.955 -1.045 2.846 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.206 -1.856 2.336 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.715 -1.266 1.997 1.00 19.57 C ATOM 0 H LEU A 71 -9.833 0.183 4.998 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.589 1.500 2.486 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.234 0.475 3.701 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.896 0.708 1.998 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.599 -1.384 3.819 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.941 -2.908 2.235 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.022 -1.754 3.051 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.522 -1.467 1.368 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.458 -2.325 1.997 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.911 -0.940 0.975 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.885 -0.691 2.408 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.151 3.446 2.358 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.669 4.757 2.198 1.00 25.83 C ATOM 1152 C ARG A 72 -13.132 4.880 1.639 1.00 27.74 C ATOM 1153 O ARG A 72 -13.472 4.326 0.608 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.689 5.538 1.302 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.931 7.020 0.934 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.639 7.636 0.412 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.035 9.008 -0.055 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.514 9.623 -1.118 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.731 8.920 -1.934 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.797 10.892 -1.366 1.00 35.02 N ATOM 0 H ARG A 72 -11.012 2.993 1.455 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.754 5.170 3.203 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.712 5.487 1.783 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.611 4.988 0.364 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.712 7.094 0.178 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.280 7.570 1.808 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.880 7.687 1.193 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.219 7.046 -0.403 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.751 9.503 0.477 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.543 7.937 -1.739 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.319 9.365 -2.754 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.418 11.407 -0.742 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.394 11.354 -2.181 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.981 5.635 2.349 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.376 5.911 1.905 1.00 30.76 C ATOM 1176 C LEU A 73 -15.341 7.139 1.000 1.00 32.18 C ATOM 1177 O LEU A 73 -14.296 7.744 0.784 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.306 5.840 3.121 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.378 4.434 3.802 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.240 4.512 5.075 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.830 3.377 2.821 1.00 29.11 C ATOM 0 H LEU A 73 -13.736 6.072 3.238 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.835 5.165 1.256 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.975 6.570 3.859 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.310 6.132 2.812 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.381 4.127 4.118 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.286 3.529 5.544 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.798 5.226 5.770 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.247 4.836 4.813 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.871 2.410 3.322 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.820 3.632 2.442 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.126 3.326 1.991 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.461 7.496 0.356 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.531 8.585 -0.572 1.00 35.33 C ATOM 1195 C ARG A 74 -16.411 9.845 0.150 1.00 36.22 C ATOM 1196 O ARG A 74 -15.740 10.812 -0.240 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.897 8.538 -1.270 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.019 7.324 -2.219 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.252 7.526 -3.544 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.469 6.360 -4.498 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.790 6.137 -5.656 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -15.980 7.069 -6.182 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.814 4.963 -6.256 1.00 41.93 N ATOM 0 H ARG A 74 -17.350 7.013 0.482 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.726 8.507 -1.303 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.686 8.493 -0.520 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.047 9.457 -1.836 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.639 6.435 -1.716 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.071 7.142 -2.437 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.580 8.451 -4.018 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.187 7.634 -3.336 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.190 5.684 -4.246 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.863 7.967 -5.712 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.481 6.879 -7.051 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.351 4.195 -5.853 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.296 4.823 -7.123 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.135 9.970 1.311 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.253 11.180 2.181 1.00 36.07 C ATOM 1219 C GLY A 75 -16.065 11.265 3.086 1.00 36.16 C ATOM 1220 O GLY A 75 -15.734 12.319 3.654 1.00 36.26 O ATOM 0 H GLY A 75 -17.677 9.188 1.679 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.319 12.077 1.566 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.169 11.129 2.770 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.441 10.116 3.362 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.569 9.913 4.522 1.00 36.19 C ATOM 1226 C GLY A 76 -13.237 9.399 3.889 1.00 36.20 C ATOM 1227 O GLY A 76 -12.976 8.170 3.919 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.387 10.227 3.485 1.00 0.00 O ATOM 0 H GLY A 76 -15.529 9.287 2.775 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.419 10.838 5.078 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.989 9.187 5.218 1.00 36.19 H new TER 1232 GLY A 76