USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 787 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 25 LYS NZ :NH3+ 164:sc= -0.19 (180deg=-0.718) USER MOD Set 1.2: A 43 LYS NZ :NH3+ 157:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= -0.335 (180deg=-1.24!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.353 K(o=-0.35,f=-2.1!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -160:sc= -2.01! USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -149:sc= -0.158 (180deg=-1.01) USER MOD Single : A 39 GLN : amide:sc= -0.499 K(o=-0.5,f=-1.6) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0319) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 65:sc= 1.19 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot -151:sc= -0.74! USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 110 ASN : amide:sc= 1.04 K(o=1,f=-0.46) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 114 MET CE :methyl -166:sc= -5.9! (180deg=-6.86!) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -9.495 12.669 5.337 1.00 0.00 N ATOM 21 CA PHE A 2 -10.847 12.124 5.245 1.00 0.00 C ATOM 22 C PHE A 2 -10.962 10.828 6.041 1.00 0.00 C ATOM 23 O PHE A 2 -10.043 10.451 6.767 1.00 0.00 O ATOM 24 CB PHE A 2 -11.239 11.875 3.781 1.00 0.00 C ATOM 25 CG PHE A 2 -10.092 11.967 2.811 1.00 0.00 C ATOM 26 CD1 PHE A 2 -9.498 13.189 2.536 1.00 0.00 C ATOM 27 CD2 PHE A 2 -9.610 10.834 2.178 1.00 0.00 C ATOM 28 CE1 PHE A 2 -8.443 13.277 1.647 1.00 0.00 C ATOM 29 CE2 PHE A 2 -8.555 10.915 1.288 1.00 0.00 C ATOM 30 CZ PHE A 2 -7.972 12.139 1.023 1.00 0.00 C ATOM 0 HA PHE A 2 -11.532 12.859 5.669 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -11.690 10.886 3.701 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -12.003 12.598 3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.863 14.082 3.021 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -10.064 9.875 2.382 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.988 14.234 1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -8.188 10.024 0.801 1.00 0.00 H new ATOM 0 HZ PHE A 2 -7.148 12.206 0.328 1.00 0.00 H new ATOM 40 N ASP A 3 -12.097 10.151 5.900 1.00 0.00 N ATOM 41 CA ASP A 3 -12.331 8.898 6.607 1.00 0.00 C ATOM 42 C ASP A 3 -11.925 7.703 5.748 1.00 0.00 C ATOM 43 O ASP A 3 -12.671 6.731 5.626 1.00 0.00 O ATOM 44 CB ASP A 3 -13.804 8.781 7.006 1.00 0.00 C ATOM 45 CG ASP A 3 -13.989 8.056 8.324 1.00 0.00 C ATOM 46 OD1 ASP A 3 -13.915 6.810 8.332 1.00 0.00 O ATOM 47 OD2 ASP A 3 -14.210 8.735 9.350 1.00 0.00 O ATOM 0 H ASP A 3 -12.868 10.449 5.303 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.717 8.897 7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -14.238 9.778 7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -14.349 8.252 6.224 1.00 0.00 H new ATOM 52 N LEU A 4 -10.738 7.782 5.156 1.00 0.00 N ATOM 53 CA LEU A 4 -10.232 6.708 4.308 1.00 0.00 C ATOM 54 C LEU A 4 -9.749 5.532 5.151 1.00 0.00 C ATOM 55 O LEU A 4 -8.743 5.629 5.853 1.00 0.00 O ATOM 56 CB LEU A 4 -9.091 7.220 3.425 1.00 0.00 C ATOM 57 CG LEU A 4 -8.842 6.417 2.147 1.00 0.00 C ATOM 58 CD1 LEU A 4 -8.237 5.057 2.476 1.00 0.00 C ATOM 59 CD2 LEU A 4 -10.132 6.258 1.358 1.00 0.00 C ATOM 0 H LEU A 4 -10.108 8.579 5.248 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.048 6.366 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.302 8.253 3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.174 7.228 4.014 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.130 6.964 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.068 4.501 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.289 5.197 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.922 4.499 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.936 5.684 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.869 5.734 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.517 7.241 1.088 1.00 0.00 H new ATOM 71 N THR A 5 -10.474 4.422 5.073 1.00 0.00 N ATOM 72 CA THR A 5 -10.123 3.225 5.827 1.00 0.00 C ATOM 73 C THR A 5 -10.010 2.017 4.903 1.00 0.00 C ATOM 74 O THR A 5 -10.979 1.633 4.248 1.00 0.00 O ATOM 75 CB THR A 5 -11.169 2.956 6.913 1.00 0.00 C ATOM 76 OG1 THR A 5 -10.764 1.885 7.745 1.00 0.00 O ATOM 77 CG2 THR A 5 -12.536 2.617 6.359 1.00 0.00 C ATOM 0 H THR A 5 -11.309 4.326 4.495 1.00 0.00 H new ATOM 0 HA THR A 5 -9.155 3.392 6.299 1.00 0.00 H new ATOM 0 HB THR A 5 -11.245 3.886 7.476 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.444 1.730 8.433 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.228 2.438 7.182 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.899 3.447 5.753 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.467 1.721 5.742 1.00 0.00 H new ATOM 85 N VAL A 6 -8.822 1.421 4.854 1.00 0.00 N ATOM 86 CA VAL A 6 -8.592 0.257 4.007 1.00 0.00 C ATOM 87 C VAL A 6 -7.795 -0.812 4.746 1.00 0.00 C ATOM 88 O VAL A 6 -6.672 -0.573 5.178 1.00 0.00 O ATOM 89 CB VAL A 6 -7.861 0.626 2.684 1.00 0.00 C ATOM 90 CG1 VAL A 6 -7.338 2.058 2.713 1.00 0.00 C ATOM 91 CG2 VAL A 6 -6.725 -0.350 2.378 1.00 0.00 C ATOM 0 H VAL A 6 -8.008 1.724 5.389 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.576 -0.137 3.753 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.598 0.550 1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.833 2.280 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.171 2.747 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.635 2.172 3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.238 -0.061 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.998 -0.328 3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.128 -1.358 2.279 1.00 0.00 H new ATOM 101 N GLY A 7 -8.381 -1.996 4.865 1.00 0.00 N ATOM 102 CA GLY A 7 -7.708 -3.095 5.527 1.00 0.00 C ATOM 103 C GLY A 7 -7.290 -4.159 4.536 1.00 0.00 C ATOM 104 O GLY A 7 -8.138 -4.799 3.914 1.00 0.00 O ATOM 0 H GLY A 7 -9.313 -2.215 4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.831 -2.722 6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.369 -3.532 6.276 1.00 0.00 H new ATOM 108 N ILE A 8 -5.984 -4.343 4.367 1.00 0.00 N ATOM 109 CA ILE A 8 -5.489 -5.331 3.419 1.00 0.00 C ATOM 110 C ILE A 8 -5.622 -6.745 3.985 1.00 0.00 C ATOM 111 O ILE A 8 -4.998 -7.091 4.987 1.00 0.00 O ATOM 112 CB ILE A 8 -4.011 -5.049 3.041 1.00 0.00 C ATOM 113 CG1 ILE A 8 -3.940 -3.919 2.011 1.00 0.00 C ATOM 114 CG2 ILE A 8 -3.322 -6.300 2.500 1.00 0.00 C ATOM 115 CD1 ILE A 8 -3.828 -2.543 2.628 1.00 0.00 C ATOM 0 H ILE A 8 -5.259 -3.828 4.867 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.098 -5.256 2.518 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.485 -4.746 3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.083 -4.086 1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.830 -3.955 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.288 -6.065 2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.340 -7.082 3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.845 -6.647 1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.782 -1.793 1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.698 -2.355 3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.923 -2.488 3.233 1.00 0.00 H new ATOM 127 N THR A 9 -6.440 -7.553 3.319 1.00 0.00 N ATOM 128 CA THR A 9 -6.669 -8.936 3.724 1.00 0.00 C ATOM 129 C THR A 9 -7.135 -9.759 2.528 1.00 0.00 C ATOM 130 O THR A 9 -7.772 -9.218 1.625 1.00 0.00 O ATOM 131 CB THR A 9 -7.709 -9.000 4.847 1.00 0.00 C ATOM 132 OG1 THR A 9 -8.286 -7.727 5.074 1.00 0.00 O ATOM 133 CG2 THR A 9 -7.139 -9.485 6.163 1.00 0.00 C ATOM 0 H THR A 9 -6.960 -7.271 2.488 1.00 0.00 H new ATOM 0 HA THR A 9 -5.732 -9.351 4.096 1.00 0.00 H new ATOM 0 HB THR A 9 -8.456 -9.716 4.505 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.948 -7.792 5.794 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.928 -9.507 6.915 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.731 -10.488 6.035 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.347 -8.810 6.487 1.00 0.00 H new ATOM 141 N ASP A 10 -6.816 -11.064 2.529 1.00 0.00 N ATOM 142 CA ASP A 10 -7.205 -11.980 1.441 1.00 0.00 C ATOM 143 C ASP A 10 -6.015 -12.473 0.612 1.00 0.00 C ATOM 144 O ASP A 10 -6.066 -13.574 0.064 1.00 0.00 O ATOM 145 CB ASP A 10 -8.207 -11.327 0.489 1.00 0.00 C ATOM 146 CG ASP A 10 -8.841 -12.326 -0.460 1.00 0.00 C ATOM 147 OD1 ASP A 10 -8.781 -13.540 -0.172 1.00 0.00 O ATOM 148 OD2 ASP A 10 -9.400 -11.895 -1.490 1.00 0.00 O ATOM 0 H ASP A 10 -6.286 -11.512 3.277 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.658 -12.835 1.942 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.988 -10.836 1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.703 -10.552 -0.088 1.00 0.00 H new ATOM 153 N PRO A 11 -4.940 -11.669 0.467 1.00 0.00 N ATOM 154 CA PRO A 11 -3.774 -12.039 -0.335 1.00 0.00 C ATOM 155 C PRO A 11 -3.435 -13.521 -0.306 1.00 0.00 C ATOM 156 O PRO A 11 -2.765 -14.015 0.602 1.00 0.00 O ATOM 157 CB PRO A 11 -2.683 -11.192 0.291 1.00 0.00 C ATOM 158 CG PRO A 11 -3.392 -9.917 0.555 1.00 0.00 C ATOM 159 CD PRO A 11 -4.763 -10.317 1.041 1.00 0.00 C ATOM 0 HA PRO A 11 -3.932 -11.862 -1.399 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.294 -11.639 1.206 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.836 -11.056 -0.382 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.867 -9.323 1.303 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.456 -9.309 -0.347 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.817 -10.331 2.130 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.532 -9.627 0.693 1.00 0.00 H new ATOM 167 N GLU A 12 -3.893 -14.206 -1.344 1.00 0.00 N ATOM 168 CA GLU A 12 -3.654 -15.626 -1.525 1.00 0.00 C ATOM 169 C GLU A 12 -3.188 -15.854 -2.953 1.00 0.00 C ATOM 170 O GLU A 12 -3.512 -15.064 -3.837 1.00 0.00 O ATOM 171 CB GLU A 12 -4.928 -16.430 -1.250 1.00 0.00 C ATOM 172 CG GLU A 12 -6.175 -15.837 -1.888 1.00 0.00 C ATOM 173 CD GLU A 12 -7.432 -16.144 -1.100 1.00 0.00 C ATOM 174 OE1 GLU A 12 -7.362 -16.161 0.147 1.00 0.00 O ATOM 175 OE2 GLU A 12 -8.488 -16.366 -1.729 1.00 0.00 O ATOM 0 H GLU A 12 -4.446 -13.785 -2.090 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.891 -15.961 -0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.791 -17.447 -1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.079 -16.498 -0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.058 -14.757 -1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.281 -16.226 -2.901 1.00 0.00 H new ATOM 182 N LYS A 13 -2.426 -16.912 -3.189 1.00 0.00 N ATOM 183 CA LYS A 13 -1.932 -17.177 -4.532 1.00 0.00 C ATOM 184 C LYS A 13 -3.091 -17.548 -5.453 1.00 0.00 C ATOM 185 O LYS A 13 -3.589 -18.675 -5.444 1.00 0.00 O ATOM 186 CB LYS A 13 -0.864 -18.270 -4.500 1.00 0.00 C ATOM 187 CG LYS A 13 -0.422 -18.750 -5.874 1.00 0.00 C ATOM 188 CD LYS A 13 0.696 -17.885 -6.429 1.00 0.00 C ATOM 189 CE LYS A 13 2.046 -18.289 -5.861 1.00 0.00 C ATOM 190 NZ LYS A 13 2.268 -19.758 -5.953 1.00 0.00 N ATOM 0 H LYS A 13 -2.140 -17.590 -2.482 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.467 -16.274 -4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.006 -17.896 -3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.247 -19.121 -3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.086 -19.785 -5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.271 -18.733 -6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.717 -17.969 -7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.499 -16.839 -6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.837 -17.768 -6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.110 -17.976 -4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.289 -19.956 -5.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.823 -20.228 -5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.847 -20.118 -6.833 1.00 0.00 H new ATOM 204 N ILE A 14 -3.521 -16.555 -6.225 1.00 0.00 N ATOM 205 CA ILE A 14 -4.635 -16.688 -7.151 1.00 0.00 C ATOM 206 C ILE A 14 -4.279 -17.538 -8.363 1.00 0.00 C ATOM 207 O ILE A 14 -3.110 -17.806 -8.637 1.00 0.00 O ATOM 208 CB ILE A 14 -5.117 -15.279 -7.595 1.00 0.00 C ATOM 209 CG1 ILE A 14 -6.381 -14.904 -6.841 1.00 0.00 C ATOM 210 CG2 ILE A 14 -5.348 -15.160 -9.094 1.00 0.00 C ATOM 211 CD1 ILE A 14 -6.080 -14.235 -5.531 1.00 0.00 C ATOM 0 H ILE A 14 -3.100 -15.626 -6.224 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.442 -17.203 -6.630 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.313 -14.585 -7.352 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.986 -14.238 -7.457 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.975 -15.800 -6.662 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.683 -14.150 -9.331 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.418 -15.368 -9.623 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.109 -15.877 -9.403 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.014 -13.985 -5.027 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.498 -14.910 -4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.509 -13.324 -5.710 1.00 0.00 H new ATOM 223 N GLY A 15 -5.314 -17.949 -9.079 1.00 0.00 N ATOM 224 CA GLY A 15 -5.129 -18.763 -10.266 1.00 0.00 C ATOM 225 C GLY A 15 -4.804 -20.207 -9.938 1.00 0.00 C ATOM 226 O GLY A 15 -5.639 -21.093 -10.113 1.00 0.00 O ATOM 0 H GLY A 15 -6.286 -17.732 -8.859 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.035 -18.727 -10.872 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.325 -18.342 -10.869 1.00 0.00 H new ATOM 230 N ASP A 16 -3.585 -20.445 -9.465 1.00 0.00 N ATOM 231 CA ASP A 16 -3.153 -21.793 -9.115 1.00 0.00 C ATOM 232 C ASP A 16 -3.173 -22.703 -10.341 1.00 0.00 C ATOM 233 O ASP A 16 -3.883 -23.708 -10.372 1.00 0.00 O ATOM 234 CB ASP A 16 -4.049 -22.371 -8.018 1.00 0.00 C ATOM 235 CG ASP A 16 -3.615 -23.758 -7.585 1.00 0.00 C ATOM 236 OD1 ASP A 16 -2.537 -23.877 -6.968 1.00 0.00 O ATOM 237 OD2 ASP A 16 -4.354 -24.725 -7.866 1.00 0.00 O ATOM 0 H ASP A 16 -2.880 -19.723 -9.315 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.130 -21.737 -8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.038 -21.705 -7.156 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.077 -22.411 -8.377 1.00 0.00 H new ATOM 242 N GLY A 17 -2.390 -22.340 -11.351 1.00 0.00 N ATOM 243 CA GLY A 17 -2.331 -23.131 -12.566 1.00 0.00 C ATOM 244 C GLY A 17 -1.507 -22.465 -13.649 1.00 0.00 C ATOM 245 O GLY A 17 -1.995 -21.585 -14.358 1.00 0.00 O ATOM 0 H GLY A 17 -1.795 -21.512 -11.350 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.906 -24.109 -12.339 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.342 -23.301 -12.935 1.00 0.00 H new ATOM 249 N MET A 18 -0.250 -22.882 -13.776 1.00 0.00 N ATOM 250 CA MET A 18 0.645 -22.315 -14.778 1.00 0.00 C ATOM 251 C MET A 18 0.880 -20.833 -14.514 1.00 0.00 C ATOM 252 O MET A 18 0.159 -19.979 -15.027 1.00 0.00 O ATOM 253 CB MET A 18 0.066 -22.509 -16.181 1.00 0.00 C ATOM 254 CG MET A 18 1.109 -22.433 -17.284 1.00 0.00 C ATOM 255 SD MET A 18 0.378 -22.387 -18.931 1.00 0.00 S ATOM 256 CE MET A 18 1.491 -21.254 -19.760 1.00 0.00 C ATOM 0 H MET A 18 0.170 -23.610 -13.198 1.00 0.00 H new ATOM 0 HA MET A 18 1.600 -22.836 -14.714 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.432 -23.477 -16.229 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.696 -21.750 -16.359 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.722 -21.544 -17.138 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.774 -23.294 -17.210 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.171 -21.121 -20.794 1.00 0.00 H new ATOM 0 HE2 MET A 18 1.477 -20.291 -19.249 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.503 -21.660 -19.742 1.00 0.00 H new ATOM 266 N ASN A 19 1.892 -20.534 -13.704 1.00 0.00 N ATOM 267 CA ASN A 19 2.219 -19.152 -13.367 1.00 0.00 C ATOM 268 C ASN A 19 1.078 -18.504 -12.591 1.00 0.00 C ATOM 269 O ASN A 19 0.170 -17.915 -13.178 1.00 0.00 O ATOM 270 CB ASN A 19 2.511 -18.348 -14.636 1.00 0.00 C ATOM 271 CG ASN A 19 3.128 -16.997 -14.334 1.00 0.00 C ATOM 272 OD1 ASN A 19 2.598 -16.223 -13.536 1.00 0.00 O ATOM 273 ND2 ASN A 19 4.255 -16.706 -14.973 1.00 0.00 N ATOM 0 H ASN A 19 2.499 -21.229 -13.269 1.00 0.00 H new ATOM 0 HA ASN A 19 3.110 -19.156 -12.739 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.185 -18.917 -15.277 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.585 -18.205 -15.194 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.717 -15.811 -14.811 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.659 -17.377 -15.626 1.00 0.00 H new ATOM 280 N ALA A 20 1.126 -18.618 -11.266 1.00 0.00 N ATOM 281 CA ALA A 20 0.091 -18.045 -10.414 1.00 0.00 C ATOM 282 C ALA A 20 0.599 -16.815 -9.670 1.00 0.00 C ATOM 283 O ALA A 20 1.805 -16.608 -9.534 1.00 0.00 O ATOM 284 CB ALA A 20 -0.416 -19.085 -9.425 1.00 0.00 C ATOM 0 H ALA A 20 1.869 -19.101 -10.761 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.733 -17.732 -11.056 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.188 -18.643 -8.796 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.833 -19.932 -9.970 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.410 -19.426 -8.800 1.00 0.00 H new ATOM 290 N TYR A 21 -0.337 -16.003 -9.188 1.00 0.00 N ATOM 291 CA TYR A 21 -0.006 -14.790 -8.451 1.00 0.00 C ATOM 292 C TYR A 21 -1.035 -14.536 -7.366 1.00 0.00 C ATOM 293 O TYR A 21 -2.185 -14.947 -7.498 1.00 0.00 O ATOM 294 CB TYR A 21 0.016 -13.586 -9.395 1.00 0.00 C ATOM 295 CG TYR A 21 -1.319 -13.315 -10.070 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.449 -12.939 -9.336 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.449 -13.440 -11.447 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.656 -12.699 -9.963 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.656 -13.201 -12.077 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.755 -12.831 -11.330 1.00 0.00 C ATOM 301 OH TYR A 21 -4.958 -12.593 -11.956 1.00 0.00 O ATOM 0 H TYR A 21 -1.338 -16.166 -9.296 1.00 0.00 H new ATOM 0 HA TYR A 21 0.978 -14.925 -8.001 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.316 -12.701 -8.834 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.774 -13.750 -10.161 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.377 -12.835 -8.263 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.591 -13.729 -12.036 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.519 -12.409 -9.383 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.738 -13.303 -13.149 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.857 -12.729 -12.921 1.00 0.00 H new ATOM 311 N VAL A 22 -0.647 -13.825 -6.315 1.00 0.00 N ATOM 312 CA VAL A 22 -1.596 -13.508 -5.261 1.00 0.00 C ATOM 313 C VAL A 22 -2.161 -12.113 -5.462 1.00 0.00 C ATOM 314 O VAL A 22 -1.507 -11.223 -6.003 1.00 0.00 O ATOM 315 CB VAL A 22 -1.023 -13.639 -3.830 1.00 0.00 C ATOM 316 CG1 VAL A 22 0.478 -13.403 -3.808 1.00 0.00 C ATOM 317 CG2 VAL A 22 -1.754 -12.696 -2.865 1.00 0.00 C ATOM 0 H VAL A 22 0.297 -13.465 -6.172 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.386 -14.255 -5.343 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.192 -14.662 -3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.847 -13.503 -2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.971 -14.137 -4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.694 -12.400 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.336 -12.804 -1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.632 -11.666 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.814 -12.947 -2.844 1.00 0.00 H new ATOM 327 N ALA A 23 -3.395 -11.956 -5.029 1.00 0.00 N ATOM 328 CA ALA A 23 -4.113 -10.709 -5.147 1.00 0.00 C ATOM 329 C ALA A 23 -4.023 -9.885 -3.863 1.00 0.00 C ATOM 330 O ALA A 23 -3.342 -10.271 -2.913 1.00 0.00 O ATOM 331 CB ALA A 23 -5.549 -11.047 -5.463 1.00 0.00 C ATOM 0 H ALA A 23 -3.931 -12.700 -4.581 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.674 -10.100 -5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.126 -10.128 -5.560 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.594 -11.604 -6.399 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.965 -11.654 -4.659 1.00 0.00 H new ATOM 337 N TYR A 24 -4.723 -8.753 -3.839 1.00 0.00 N ATOM 338 CA TYR A 24 -4.733 -7.879 -2.668 1.00 0.00 C ATOM 339 C TYR A 24 -6.085 -7.193 -2.526 1.00 0.00 C ATOM 340 O TYR A 24 -6.362 -6.206 -3.204 1.00 0.00 O ATOM 341 CB TYR A 24 -3.624 -6.831 -2.764 1.00 0.00 C ATOM 342 CG TYR A 24 -2.351 -7.245 -2.070 1.00 0.00 C ATOM 343 CD1 TYR A 24 -1.405 -8.022 -2.722 1.00 0.00 C ATOM 344 CD2 TYR A 24 -2.102 -6.865 -0.759 1.00 0.00 C ATOM 345 CE1 TYR A 24 -0.241 -8.410 -2.086 1.00 0.00 C ATOM 346 CE2 TYR A 24 -0.941 -7.246 -0.115 1.00 0.00 C ATOM 347 CZ TYR A 24 -0.014 -8.019 -0.782 1.00 0.00 C ATOM 348 OH TYR A 24 1.144 -8.403 -0.145 1.00 0.00 O ATOM 0 H TYR A 24 -5.291 -8.419 -4.618 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.555 -8.494 -1.786 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.410 -6.634 -3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.979 -5.896 -2.330 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.581 -8.329 -3.743 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.828 -6.262 -0.234 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.487 -9.015 -2.606 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.760 -6.940 0.905 1.00 0.00 H new ATOM 0 HH TYR A 24 1.150 -8.044 0.767 1.00 0.00 H new ATOM 358 N LYS A 25 -6.924 -7.721 -1.641 1.00 0.00 N ATOM 359 CA LYS A 25 -8.250 -7.160 -1.421 1.00 0.00 C ATOM 360 C LYS A 25 -8.183 -5.916 -0.544 1.00 0.00 C ATOM 361 O LYS A 25 -8.277 -5.997 0.680 1.00 0.00 O ATOM 362 CB LYS A 25 -9.163 -8.205 -0.778 1.00 0.00 C ATOM 363 CG LYS A 25 -10.439 -8.460 -1.559 1.00 0.00 C ATOM 364 CD LYS A 25 -11.420 -7.311 -1.411 1.00 0.00 C ATOM 365 CE LYS A 25 -12.731 -7.601 -2.123 1.00 0.00 C ATOM 366 NZ LYS A 25 -13.211 -8.987 -1.862 1.00 0.00 N ATOM 0 H LYS A 25 -6.709 -8.535 -1.066 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.659 -6.871 -2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.615 -9.142 -0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.422 -7.878 0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.200 -8.602 -2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.902 -9.383 -1.210 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.612 -7.129 -0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.979 -6.400 -1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.487 -6.887 -1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.601 -7.458 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.214 -9.063 -2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.652 -9.660 -2.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.103 -9.207 -0.851 1.00 0.00 H new ATOM 380 N VAL A 26 -8.028 -4.764 -1.186 1.00 0.00 N ATOM 381 CA VAL A 26 -7.959 -3.495 -0.476 1.00 0.00 C ATOM 382 C VAL A 26 -9.355 -2.894 -0.324 1.00 0.00 C ATOM 383 O VAL A 26 -9.870 -2.259 -1.243 1.00 0.00 O ATOM 384 CB VAL A 26 -7.034 -2.500 -1.215 1.00 0.00 C ATOM 385 CG1 VAL A 26 -7.241 -1.076 -0.715 1.00 0.00 C ATOM 386 CG2 VAL A 26 -5.578 -2.919 -1.061 1.00 0.00 C ATOM 0 H VAL A 26 -7.948 -4.684 -2.200 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.544 -3.684 0.514 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.293 -2.519 -2.274 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.576 -0.401 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.276 -0.778 -0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.019 -1.029 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.938 -2.210 -1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.313 -2.933 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.439 -3.914 -1.483 1.00 0.00 H new ATOM 396 N THR A 27 -9.963 -3.109 0.839 1.00 0.00 N ATOM 397 CA THR A 27 -11.303 -2.597 1.103 1.00 0.00 C ATOM 398 C THR A 27 -11.256 -1.165 1.622 1.00 0.00 C ATOM 399 O THR A 27 -11.513 -0.911 2.798 1.00 0.00 O ATOM 400 CB THR A 27 -12.030 -3.491 2.108 1.00 0.00 C ATOM 401 OG1 THR A 27 -12.012 -4.843 1.684 1.00 0.00 O ATOM 402 CG2 THR A 27 -13.477 -3.095 2.316 1.00 0.00 C ATOM 0 H THR A 27 -9.550 -3.633 1.611 1.00 0.00 H new ATOM 0 HA THR A 27 -11.850 -2.602 0.160 1.00 0.00 H new ATOM 0 HB THR A 27 -11.493 -3.367 3.049 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.481 -5.398 2.342 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.938 -3.767 3.040 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.524 -2.072 2.689 1.00 0.00 H new ATOM 0 HG23 THR A 27 -14.012 -3.160 1.369 1.00 0.00 H new ATOM 410 N THR A 28 -10.938 -0.232 0.732 1.00 0.00 N ATOM 411 CA THR A 28 -10.874 1.176 1.099 1.00 0.00 C ATOM 412 C THR A 28 -12.279 1.762 1.193 1.00 0.00 C ATOM 413 O THR A 28 -13.174 1.368 0.445 1.00 0.00 O ATOM 414 CB THR A 28 -10.049 1.959 0.075 1.00 0.00 C ATOM 415 OG1 THR A 28 -8.730 1.452 -0.011 1.00 0.00 O ATOM 416 CG2 THR A 28 -9.955 3.434 0.390 1.00 0.00 C ATOM 0 H THR A 28 -10.721 -0.425 -0.246 1.00 0.00 H new ATOM 0 HA THR A 28 -10.391 1.256 2.073 1.00 0.00 H new ATOM 0 HB THR A 28 -10.576 1.836 -0.871 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.144 2.130 -0.408 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.357 3.932 -0.374 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.955 3.867 0.407 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.485 3.569 1.364 1.00 0.00 H new ATOM 424 N GLN A 29 -12.471 2.699 2.114 1.00 0.00 N ATOM 425 CA GLN A 29 -13.774 3.327 2.295 1.00 0.00 C ATOM 426 C GLN A 29 -13.635 4.745 2.828 1.00 0.00 C ATOM 427 O GLN A 29 -12.982 4.978 3.845 1.00 0.00 O ATOM 428 CB GLN A 29 -14.637 2.506 3.252 1.00 0.00 C ATOM 429 CG GLN A 29 -14.825 1.062 2.817 1.00 0.00 C ATOM 430 CD GLN A 29 -15.674 0.267 3.789 1.00 0.00 C ATOM 431 OE1 GLN A 29 -16.016 0.747 4.870 1.00 0.00 O ATOM 432 NE2 GLN A 29 -16.023 -0.956 3.407 1.00 0.00 N ATOM 0 H GLN A 29 -11.745 3.039 2.744 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.256 3.368 1.318 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.182 2.522 4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.615 2.979 3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.291 1.041 1.832 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.849 0.586 2.719 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.717 -1.314 2.502 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.597 -1.537 4.018 1.00 0.00 H new ATOM 441 N THR A 30 -14.263 5.687 2.139 1.00 0.00 N ATOM 442 CA THR A 30 -14.223 7.085 2.544 1.00 0.00 C ATOM 443 C THR A 30 -15.509 7.799 2.148 1.00 0.00 C ATOM 444 O THR A 30 -15.691 8.187 0.995 1.00 0.00 O ATOM 445 CB THR A 30 -13.027 7.785 1.911 1.00 0.00 C ATOM 446 OG1 THR A 30 -13.111 9.187 2.090 1.00 0.00 O ATOM 447 CG2 THR A 30 -12.911 7.515 0.431 1.00 0.00 C ATOM 0 H THR A 30 -14.807 5.508 1.295 1.00 0.00 H new ATOM 0 HA THR A 30 -14.124 7.121 3.629 1.00 0.00 H new ATOM 0 HB THR A 30 -12.148 7.382 2.414 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.333 9.617 1.678 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.042 8.038 0.033 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.797 6.444 0.264 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.810 7.867 -0.075 1.00 0.00 H new ATOM 455 N SER A 31 -16.393 7.967 3.117 1.00 0.00 N ATOM 456 CA SER A 31 -17.669 8.636 2.885 1.00 0.00 C ATOM 457 C SER A 31 -17.509 10.152 2.971 1.00 0.00 C ATOM 458 O SER A 31 -18.124 10.804 3.816 1.00 0.00 O ATOM 459 CB SER A 31 -18.711 8.159 3.898 1.00 0.00 C ATOM 460 OG SER A 31 -20.009 8.154 3.332 1.00 0.00 O ATOM 0 H SER A 31 -16.253 7.649 4.076 1.00 0.00 H new ATOM 0 HA SER A 31 -18.010 8.381 1.881 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.457 7.156 4.241 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.695 8.808 4.773 1.00 0.00 H new ATOM 0 HG SER A 31 -20.656 7.844 4.000 1.00 0.00 H new ATOM 466 N LEU A 32 -16.682 10.706 2.092 1.00 0.00 N ATOM 467 CA LEU A 32 -16.442 12.143 2.069 1.00 0.00 C ATOM 468 C LEU A 32 -16.428 12.671 0.636 1.00 0.00 C ATOM 469 O LEU A 32 -16.242 11.910 -0.313 1.00 0.00 O ATOM 470 CB LEU A 32 -15.116 12.472 2.760 1.00 0.00 C ATOM 471 CG LEU A 32 -15.226 12.806 4.248 1.00 0.00 C ATOM 472 CD1 LEU A 32 -15.083 11.546 5.090 1.00 0.00 C ATOM 473 CD2 LEU A 32 -14.177 13.838 4.643 1.00 0.00 C ATOM 0 H LEU A 32 -16.166 10.181 1.386 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.255 12.630 2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.443 11.623 2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.656 13.317 2.247 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.212 13.232 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.164 11.803 6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.872 10.841 4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.111 11.090 4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.270 14.063 5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.182 13.441 4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.327 14.749 4.064 1.00 0.00 H new ATOM 485 N PRO A 33 -16.624 13.989 0.461 1.00 0.00 N ATOM 486 CA PRO A 33 -16.634 14.617 -0.863 1.00 0.00 C ATOM 487 C PRO A 33 -15.234 14.726 -1.460 1.00 0.00 C ATOM 488 O PRO A 33 -14.624 15.796 -1.445 1.00 0.00 O ATOM 489 CB PRO A 33 -17.208 16.006 -0.588 1.00 0.00 C ATOM 490 CG PRO A 33 -16.834 16.294 0.824 1.00 0.00 C ATOM 491 CD PRO A 33 -16.854 14.971 1.540 1.00 0.00 C ATOM 0 HA PRO A 33 -17.208 14.039 -1.587 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -16.791 16.749 -1.268 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.290 16.022 -0.723 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -15.847 16.752 0.880 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -17.536 16.993 1.278 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.078 14.917 2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -17.807 14.801 2.041 1.00 0.00 H new ATOM 499 N LEU A 34 -14.731 13.613 -1.984 1.00 0.00 N ATOM 500 CA LEU A 34 -13.402 13.586 -2.585 1.00 0.00 C ATOM 501 C LEU A 34 -13.292 12.466 -3.614 1.00 0.00 C ATOM 502 O LEU A 34 -13.121 12.721 -4.807 1.00 0.00 O ATOM 503 CB LEU A 34 -12.333 13.410 -1.504 1.00 0.00 C ATOM 504 CG LEU A 34 -11.811 14.713 -0.890 1.00 0.00 C ATOM 505 CD1 LEU A 34 -12.212 14.813 0.574 1.00 0.00 C ATOM 506 CD2 LEU A 34 -10.299 14.805 -1.036 1.00 0.00 C ATOM 0 H LEU A 34 -15.222 12.719 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.241 14.537 -3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.743 12.789 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.492 12.865 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 34 -12.260 15.548 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.832 15.745 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -13.299 14.795 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.793 13.971 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.947 15.737 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.832 13.962 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.033 14.781 -2.093 1.00 0.00 H new ATOM 518 N PHE A 35 -13.390 11.226 -3.146 1.00 0.00 N ATOM 519 CA PHE A 35 -13.300 10.069 -4.029 1.00 0.00 C ATOM 520 C PHE A 35 -14.053 8.876 -3.446 1.00 0.00 C ATOM 521 O PHE A 35 -14.497 8.909 -2.299 1.00 0.00 O ATOM 522 CB PHE A 35 -11.834 9.696 -4.267 1.00 0.00 C ATOM 523 CG PHE A 35 -11.279 10.233 -5.556 1.00 0.00 C ATOM 524 CD1 PHE A 35 -12.009 10.146 -6.731 1.00 0.00 C ATOM 525 CD2 PHE A 35 -10.027 10.825 -5.592 1.00 0.00 C ATOM 526 CE1 PHE A 35 -11.499 10.639 -7.917 1.00 0.00 C ATOM 527 CE2 PHE A 35 -9.513 11.320 -6.774 1.00 0.00 C ATOM 528 CZ PHE A 35 -10.250 11.227 -7.938 1.00 0.00 C ATOM 0 H PHE A 35 -13.531 10.997 -2.162 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.760 10.334 -4.981 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -11.233 10.071 -3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.739 8.610 -4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.987 9.688 -6.720 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -9.446 10.900 -4.685 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -12.077 10.564 -8.826 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.536 11.779 -6.788 1.00 0.00 H new ATOM 0 HZ PHE A 35 -9.850 11.614 -8.864 1.00 0.00 H new ATOM 538 N ARG A 36 -14.193 7.826 -4.249 1.00 0.00 N ATOM 539 CA ARG A 36 -14.890 6.617 -3.824 1.00 0.00 C ATOM 540 C ARG A 36 -16.369 6.897 -3.567 1.00 0.00 C ATOM 541 O ARG A 36 -17.221 6.563 -4.390 1.00 0.00 O ATOM 542 CB ARG A 36 -14.235 6.033 -2.569 1.00 0.00 C ATOM 543 CG ARG A 36 -12.718 6.003 -2.635 1.00 0.00 C ATOM 544 CD ARG A 36 -12.221 5.249 -3.859 1.00 0.00 C ATOM 545 NE ARG A 36 -11.362 4.125 -3.496 1.00 0.00 N ATOM 546 CZ ARG A 36 -10.212 4.253 -2.838 1.00 0.00 C ATOM 547 NH1 ARG A 36 -9.767 5.453 -2.487 1.00 0.00 N ATOM 548 NH2 ARG A 36 -9.501 3.175 -2.535 1.00 0.00 N ATOM 0 H ARG A 36 -13.831 7.788 -5.202 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.817 5.887 -4.630 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.541 6.619 -1.703 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.604 5.019 -2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.335 7.023 -2.656 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.324 5.533 -1.734 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.074 4.884 -4.431 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.671 5.931 -4.507 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.661 3.187 -3.762 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.307 6.286 -2.721 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.885 5.542 -1.983 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.836 2.250 -2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.619 3.271 -2.031 1.00 0.00 H new ATOM 562 N SER A 37 -16.667 7.514 -2.426 1.00 0.00 N ATOM 563 CA SER A 37 -18.044 7.838 -2.065 1.00 0.00 C ATOM 564 C SER A 37 -18.855 6.570 -1.807 1.00 0.00 C ATOM 565 O SER A 37 -19.276 6.309 -0.680 1.00 0.00 O ATOM 566 CB SER A 37 -18.707 8.665 -3.169 1.00 0.00 C ATOM 567 OG SER A 37 -19.522 9.687 -2.623 1.00 0.00 O ATOM 0 H SER A 37 -15.973 7.800 -1.736 1.00 0.00 H new ATOM 0 HA SER A 37 -18.020 8.425 -1.147 1.00 0.00 H new ATOM 0 HB2 SER A 37 -17.941 9.108 -3.805 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.310 8.014 -3.802 1.00 0.00 H new ATOM 0 HG SER A 37 -19.932 10.201 -3.349 1.00 0.00 H new ATOM 573 N LYS A 38 -19.068 5.788 -2.859 1.00 0.00 N ATOM 574 CA LYS A 38 -19.829 4.548 -2.753 1.00 0.00 C ATOM 575 C LYS A 38 -19.080 3.509 -1.919 1.00 0.00 C ATOM 576 O LYS A 38 -19.682 2.571 -1.396 1.00 0.00 O ATOM 577 CB LYS A 38 -20.120 3.983 -4.146 1.00 0.00 C ATOM 578 CG LYS A 38 -20.542 5.037 -5.159 1.00 0.00 C ATOM 579 CD LYS A 38 -21.008 4.406 -6.462 1.00 0.00 C ATOM 580 CE LYS A 38 -20.010 4.643 -7.585 1.00 0.00 C ATOM 581 NZ LYS A 38 -19.747 6.094 -7.796 1.00 0.00 N ATOM 0 H LYS A 38 -18.724 5.991 -3.797 1.00 0.00 H new ATOM 0 HA LYS A 38 -20.770 4.776 -2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -19.230 3.474 -4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -20.907 3.233 -4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -21.345 5.644 -4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -19.706 5.707 -5.357 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -21.148 3.335 -6.319 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -21.977 4.820 -6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.074 4.134 -7.353 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -20.391 4.205 -8.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.530 6.265 -8.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.588 6.642 -7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.939 6.389 -7.212 1.00 0.00 H new ATOM 595 N GLN A 39 -17.764 3.678 -1.801 1.00 0.00 N ATOM 596 CA GLN A 39 -16.940 2.749 -1.033 1.00 0.00 C ATOM 597 C GLN A 39 -16.926 1.372 -1.690 1.00 0.00 C ATOM 598 O GLN A 39 -17.879 0.990 -2.367 1.00 0.00 O ATOM 599 CB GLN A 39 -17.459 2.637 0.403 1.00 0.00 C ATOM 600 CG GLN A 39 -17.815 3.975 1.031 1.00 0.00 C ATOM 601 CD GLN A 39 -18.198 3.849 2.492 1.00 0.00 C ATOM 602 OE1 GLN A 39 -18.097 2.773 3.081 1.00 0.00 O ATOM 603 NE2 GLN A 39 -18.642 4.951 3.086 1.00 0.00 N ATOM 0 H GLN A 39 -17.248 4.448 -2.227 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.921 3.136 -1.012 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -18.340 1.996 0.412 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -16.702 2.148 1.016 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -16.966 4.653 0.939 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -18.642 4.423 0.480 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -18.710 5.822 2.560 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -18.915 4.926 4.068 1.00 0.00 H new ATOM 612 N PHE A 40 -15.839 0.629 -1.488 1.00 0.00 N ATOM 613 CA PHE A 40 -15.709 -0.708 -2.067 1.00 0.00 C ATOM 614 C PHE A 40 -14.306 -1.266 -1.853 1.00 0.00 C ATOM 615 O PHE A 40 -13.501 -0.692 -1.119 1.00 0.00 O ATOM 616 CB PHE A 40 -16.032 -0.688 -3.564 1.00 0.00 C ATOM 617 CG PHE A 40 -15.566 0.555 -4.268 1.00 0.00 C ATOM 618 CD1 PHE A 40 -14.214 0.804 -4.439 1.00 0.00 C ATOM 619 CD2 PHE A 40 -16.481 1.473 -4.757 1.00 0.00 C ATOM 620 CE1 PHE A 40 -13.782 1.946 -5.087 1.00 0.00 C ATOM 621 CE2 PHE A 40 -16.056 2.618 -5.406 1.00 0.00 C ATOM 622 CZ PHE A 40 -14.705 2.854 -5.571 1.00 0.00 C ATOM 0 H PHE A 40 -15.039 0.928 -0.931 1.00 0.00 H new ATOM 0 HA PHE A 40 -16.424 -1.355 -1.558 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -15.573 -1.556 -4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -17.110 -0.786 -3.695 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.489 0.098 -4.062 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -17.538 1.293 -4.630 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.725 2.128 -5.215 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -16.779 3.326 -5.783 1.00 0.00 H new ATOM 0 HZ PHE A 40 -14.370 3.747 -6.078 1.00 0.00 H new ATOM 632 N ALA A 41 -14.026 -2.397 -2.495 1.00 0.00 N ATOM 633 CA ALA A 41 -12.728 -3.046 -2.375 1.00 0.00 C ATOM 634 C ALA A 41 -11.987 -3.063 -3.708 1.00 0.00 C ATOM 635 O ALA A 41 -12.542 -2.702 -4.746 1.00 0.00 O ATOM 636 CB ALA A 41 -12.912 -4.461 -1.855 1.00 0.00 C ATOM 0 H ALA A 41 -14.684 -2.882 -3.105 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.123 -2.475 -1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.940 -4.945 -1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.393 -4.430 -0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.536 -5.025 -2.548 1.00 0.00 H new ATOM 642 N VAL A 42 -10.728 -3.489 -3.669 1.00 0.00 N ATOM 643 CA VAL A 42 -9.902 -3.562 -4.868 1.00 0.00 C ATOM 644 C VAL A 42 -8.949 -4.751 -4.799 1.00 0.00 C ATOM 645 O VAL A 42 -8.460 -5.103 -3.727 1.00 0.00 O ATOM 646 CB VAL A 42 -9.084 -2.268 -5.068 1.00 0.00 C ATOM 647 CG1 VAL A 42 -8.078 -2.429 -6.201 1.00 0.00 C ATOM 648 CG2 VAL A 42 -10.009 -1.089 -5.331 1.00 0.00 C ATOM 0 H VAL A 42 -10.257 -3.790 -2.816 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.577 -3.687 -5.715 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.528 -2.071 -4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.515 -1.504 -6.322 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.393 -3.243 -5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.606 -2.655 -7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.416 -0.185 -5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.595 -1.280 -6.230 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.680 -0.956 -4.482 1.00 0.00 H new ATOM 658 N LYS A 43 -8.685 -5.360 -5.951 1.00 0.00 N ATOM 659 CA LYS A 43 -7.781 -6.503 -6.021 1.00 0.00 C ATOM 660 C LYS A 43 -6.770 -6.333 -7.146 1.00 0.00 C ATOM 661 O LYS A 43 -7.138 -6.161 -8.308 1.00 0.00 O ATOM 662 CB LYS A 43 -8.555 -7.806 -6.211 1.00 0.00 C ATOM 663 CG LYS A 43 -9.851 -7.642 -6.975 1.00 0.00 C ATOM 664 CD LYS A 43 -10.733 -8.866 -6.819 1.00 0.00 C ATOM 665 CE LYS A 43 -11.085 -9.116 -5.361 1.00 0.00 C ATOM 666 NZ LYS A 43 -12.243 -10.040 -5.218 1.00 0.00 N ATOM 0 H LYS A 43 -9.084 -5.082 -6.848 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.244 -6.552 -5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.922 -8.520 -6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.773 -8.234 -5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.380 -6.760 -6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.636 -7.476 -8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.647 -8.733 -7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.222 -9.739 -7.226 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.221 -9.535 -4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.316 -8.168 -4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.216 -10.488 -4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.129 -9.505 -5.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.195 -10.773 -5.954 1.00 0.00 H new ATOM 680 N ARG A 44 -5.495 -6.383 -6.789 1.00 0.00 N ATOM 681 CA ARG A 44 -4.420 -6.236 -7.761 1.00 0.00 C ATOM 682 C ARG A 44 -3.235 -7.126 -7.400 1.00 0.00 C ATOM 683 O ARG A 44 -2.989 -7.401 -6.225 1.00 0.00 O ATOM 684 CB ARG A 44 -3.972 -4.774 -7.838 1.00 0.00 C ATOM 685 CG ARG A 44 -3.963 -4.214 -9.251 1.00 0.00 C ATOM 686 CD ARG A 44 -5.156 -3.303 -9.503 1.00 0.00 C ATOM 687 NE ARG A 44 -5.384 -2.379 -8.394 1.00 0.00 N ATOM 688 CZ ARG A 44 -4.578 -1.362 -8.098 1.00 0.00 C ATOM 689 NH1 ARG A 44 -3.505 -1.119 -8.839 1.00 0.00 N ATOM 690 NH2 ARG A 44 -4.850 -0.583 -7.061 1.00 0.00 N ATOM 0 H ARG A 44 -5.178 -6.525 -5.830 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.798 -6.545 -8.735 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.633 -4.167 -7.220 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.971 -4.687 -7.415 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.040 -3.659 -9.417 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.974 -5.035 -9.968 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.992 -2.736 -10.419 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.048 -3.909 -9.659 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.210 -2.522 -7.812 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.294 -1.713 -9.641 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.891 -0.338 -8.607 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.676 -0.763 -6.491 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.233 0.197 -6.833 1.00 0.00 H new ATOM 704 N ARG A 45 -2.505 -7.573 -8.415 1.00 0.00 N ATOM 705 CA ARG A 45 -1.347 -8.431 -8.201 1.00 0.00 C ATOM 706 C ARG A 45 -0.308 -7.727 -7.332 1.00 0.00 C ATOM 707 O ARG A 45 -0.265 -6.499 -7.272 1.00 0.00 O ATOM 708 CB ARG A 45 -0.723 -8.824 -9.541 1.00 0.00 C ATOM 709 CG ARG A 45 0.340 -9.903 -9.424 1.00 0.00 C ATOM 710 CD ARG A 45 1.103 -10.082 -10.727 1.00 0.00 C ATOM 711 NE ARG A 45 2.160 -11.084 -10.610 1.00 0.00 N ATOM 712 CZ ARG A 45 2.861 -11.546 -11.644 1.00 0.00 C ATOM 713 NH1 ARG A 45 2.622 -11.100 -12.870 1.00 0.00 N ATOM 714 NH2 ARG A 45 3.805 -12.458 -11.449 1.00 0.00 N ATOM 0 H ARG A 45 -2.695 -7.356 -9.393 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.681 -9.332 -7.686 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.510 -9.172 -10.210 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.282 -7.939 -10.000 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.036 -9.643 -8.627 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.128 -10.847 -9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.410 -10.377 -11.515 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.539 -9.129 -11.026 1.00 0.00 H new ATOM 0 HE ARG A 45 2.373 -11.451 -9.683 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.898 -10.399 -13.025 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.163 -11.458 -13.657 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.993 -12.804 -10.508 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.343 -12.813 -12.240 1.00 0.00 H new ATOM 728 N PHE A 46 0.527 -8.513 -6.659 1.00 0.00 N ATOM 729 CA PHE A 46 1.564 -7.962 -5.792 1.00 0.00 C ATOM 730 C PHE A 46 2.478 -7.013 -6.564 1.00 0.00 C ATOM 731 O PHE A 46 3.054 -6.089 -5.990 1.00 0.00 O ATOM 732 CB PHE A 46 2.388 -9.089 -5.165 1.00 0.00 C ATOM 733 CG PHE A 46 3.153 -9.907 -6.166 1.00 0.00 C ATOM 734 CD1 PHE A 46 4.343 -9.438 -6.700 1.00 0.00 C ATOM 735 CD2 PHE A 46 2.683 -11.146 -6.573 1.00 0.00 C ATOM 736 CE1 PHE A 46 5.050 -10.189 -7.619 1.00 0.00 C ATOM 737 CE2 PHE A 46 3.386 -11.901 -7.494 1.00 0.00 C ATOM 738 CZ PHE A 46 4.571 -11.422 -8.017 1.00 0.00 C ATOM 0 H PHE A 46 0.506 -9.532 -6.697 1.00 0.00 H new ATOM 0 HA PHE A 46 1.074 -7.396 -5.000 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.088 -8.660 -4.449 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.722 -9.746 -4.605 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.722 -8.474 -6.394 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.757 -11.526 -6.166 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.977 -9.812 -8.026 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.009 -12.864 -7.804 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.122 -12.010 -8.736 1.00 0.00 H new ATOM 748 N SER A 47 2.607 -7.247 -7.867 1.00 0.00 N ATOM 749 CA SER A 47 3.451 -6.410 -8.712 1.00 0.00 C ATOM 750 C SER A 47 2.860 -5.011 -8.863 1.00 0.00 C ATOM 751 O SER A 47 3.555 -4.011 -8.682 1.00 0.00 O ATOM 752 CB SER A 47 3.629 -7.053 -10.088 1.00 0.00 C ATOM 753 OG SER A 47 4.264 -6.163 -10.989 1.00 0.00 O ATOM 0 H SER A 47 2.139 -8.008 -8.359 1.00 0.00 H new ATOM 0 HA SER A 47 4.425 -6.321 -8.231 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.221 -7.963 -9.994 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.657 -7.345 -10.485 1.00 0.00 H new ATOM 0 HG SER A 47 4.367 -6.599 -11.861 1.00 0.00 H new ATOM 759 N ASP A 48 1.573 -4.947 -9.194 1.00 0.00 N ATOM 760 CA ASP A 48 0.890 -3.668 -9.368 1.00 0.00 C ATOM 761 C ASP A 48 1.013 -2.809 -8.112 1.00 0.00 C ATOM 762 O ASP A 48 1.354 -1.628 -8.185 1.00 0.00 O ATOM 763 CB ASP A 48 -0.586 -3.893 -9.702 1.00 0.00 C ATOM 764 CG ASP A 48 -0.779 -4.541 -11.059 1.00 0.00 C ATOM 765 OD1 ASP A 48 -0.352 -5.703 -11.229 1.00 0.00 O ATOM 766 OD2 ASP A 48 -1.357 -3.886 -11.953 1.00 0.00 O ATOM 0 H ASP A 48 0.983 -5.765 -9.347 1.00 0.00 H new ATOM 0 HA ASP A 48 1.366 -3.142 -10.195 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.038 -4.522 -8.935 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.110 -2.938 -9.681 1.00 0.00 H new ATOM 771 N PHE A 49 0.736 -3.412 -6.961 1.00 0.00 N ATOM 772 CA PHE A 49 0.817 -2.709 -5.685 1.00 0.00 C ATOM 773 C PHE A 49 2.210 -2.123 -5.479 1.00 0.00 C ATOM 774 O PHE A 49 2.375 -1.066 -4.868 1.00 0.00 O ATOM 775 CB PHE A 49 0.476 -3.665 -4.542 1.00 0.00 C ATOM 776 CG PHE A 49 -0.536 -3.114 -3.584 1.00 0.00 C ATOM 777 CD1 PHE A 49 -0.262 -1.971 -2.856 1.00 0.00 C ATOM 778 CD2 PHE A 49 -1.761 -3.737 -3.413 1.00 0.00 C ATOM 779 CE1 PHE A 49 -1.191 -1.456 -1.972 1.00 0.00 C ATOM 780 CE2 PHE A 49 -2.695 -3.230 -2.531 1.00 0.00 C ATOM 781 CZ PHE A 49 -2.410 -2.086 -1.809 1.00 0.00 C ATOM 0 H PHE A 49 0.453 -4.389 -6.885 1.00 0.00 H new ATOM 0 HA PHE A 49 0.098 -1.890 -5.694 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.099 -4.598 -4.960 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.388 -3.906 -3.996 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.689 -1.475 -2.980 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.989 -4.630 -3.976 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.965 -0.562 -1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.646 -3.726 -2.406 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.138 -1.686 -1.119 1.00 0.00 H new ATOM 791 N LEU A 50 3.205 -2.826 -5.999 1.00 0.00 N ATOM 792 CA LEU A 50 4.599 -2.410 -5.897 1.00 0.00 C ATOM 793 C LEU A 50 4.812 -1.004 -6.453 1.00 0.00 C ATOM 794 O LEU A 50 5.691 -0.276 -5.997 1.00 0.00 O ATOM 795 CB LEU A 50 5.502 -3.404 -6.631 1.00 0.00 C ATOM 796 CG LEU A 50 6.811 -3.739 -5.915 1.00 0.00 C ATOM 797 CD1 LEU A 50 6.534 -4.450 -4.600 1.00 0.00 C ATOM 798 CD2 LEU A 50 7.702 -4.591 -6.806 1.00 0.00 C ATOM 0 H LEU A 50 3.070 -3.702 -6.504 1.00 0.00 H new ATOM 0 HA LEU A 50 4.861 -2.394 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.946 -4.328 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.737 -3.000 -7.616 1.00 0.00 H new ATOM 0 HG LEU A 50 7.332 -2.807 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.477 -4.680 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.935 -3.805 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.991 -5.375 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.629 -4.820 -6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.187 -5.519 -7.055 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.929 -4.045 -7.722 1.00 0.00 H new ATOM 810 N GLY A 51 4.029 -0.639 -7.463 1.00 0.00 N ATOM 811 CA GLY A 51 4.178 0.666 -8.085 1.00 0.00 C ATOM 812 C GLY A 51 4.266 1.810 -7.089 1.00 0.00 C ATOM 813 O GLY A 51 5.043 2.740 -7.284 1.00 0.00 O ATOM 0 H GLY A 51 3.294 -1.223 -7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.076 0.664 -8.703 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.333 0.840 -8.751 1.00 0.00 H new ATOM 817 N LEU A 52 3.482 1.745 -6.019 1.00 0.00 N ATOM 818 CA LEU A 52 3.498 2.788 -5.000 1.00 0.00 C ATOM 819 C LEU A 52 4.617 2.551 -4.013 1.00 0.00 C ATOM 820 O LEU A 52 5.481 3.401 -3.799 1.00 0.00 O ATOM 821 CB LEU A 52 2.173 2.811 -4.247 1.00 0.00 C ATOM 822 CG LEU A 52 0.949 3.151 -5.083 1.00 0.00 C ATOM 823 CD1 LEU A 52 -0.127 3.745 -4.191 1.00 0.00 C ATOM 824 CD2 LEU A 52 1.322 4.109 -6.205 1.00 0.00 C ATOM 0 H LEU A 52 2.829 0.983 -5.835 1.00 0.00 H new ATOM 0 HA LEU A 52 3.654 3.744 -5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.018 1.834 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.249 3.535 -3.435 1.00 0.00 H new ATOM 0 HG LEU A 52 0.559 2.241 -5.539 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.004 3.988 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.402 3.023 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.252 4.651 -3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.435 4.342 -6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.727 5.027 -5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.071 3.644 -6.846 1.00 0.00 H new ATOM 836 N TYR A 53 4.570 1.381 -3.403 1.00 0.00 N ATOM 837 CA TYR A 53 5.558 0.992 -2.409 1.00 0.00 C ATOM 838 C TYR A 53 6.975 1.152 -2.959 1.00 0.00 C ATOM 839 O TYR A 53 7.879 1.594 -2.251 1.00 0.00 O ATOM 840 CB TYR A 53 5.317 -0.457 -1.965 1.00 0.00 C ATOM 841 CG TYR A 53 6.492 -1.089 -1.248 1.00 0.00 C ATOM 842 CD1 TYR A 53 7.563 -1.613 -1.961 1.00 0.00 C ATOM 843 CD2 TYR A 53 6.527 -1.161 0.138 1.00 0.00 C ATOM 844 CE1 TYR A 53 8.637 -2.192 -1.312 1.00 0.00 C ATOM 845 CE2 TYR A 53 7.598 -1.738 0.795 1.00 0.00 C ATOM 846 CZ TYR A 53 8.650 -2.252 0.065 1.00 0.00 C ATOM 847 OH TYR A 53 9.717 -2.827 0.716 1.00 0.00 O ATOM 0 H TYR A 53 3.853 0.677 -3.579 1.00 0.00 H new ATOM 0 HA TYR A 53 5.454 1.648 -1.545 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.447 -0.484 -1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.074 -1.058 -2.841 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.556 -1.567 -3.040 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.705 -0.760 0.712 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.462 -2.595 -1.881 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.611 -1.786 1.874 1.00 0.00 H new ATOM 0 HH TYR A 53 9.570 -2.787 1.684 1.00 0.00 H new ATOM 857 N GLU A 54 7.157 0.800 -4.225 1.00 0.00 N ATOM 858 CA GLU A 54 8.459 0.915 -4.869 1.00 0.00 C ATOM 859 C GLU A 54 8.761 2.368 -5.228 1.00 0.00 C ATOM 860 O GLU A 54 9.875 2.847 -5.029 1.00 0.00 O ATOM 861 CB GLU A 54 8.511 0.042 -6.124 1.00 0.00 C ATOM 862 CG GLU A 54 9.901 -0.484 -6.443 1.00 0.00 C ATOM 863 CD GLU A 54 9.905 -1.966 -6.766 1.00 0.00 C ATOM 864 OE1 GLU A 54 9.956 -2.780 -5.821 1.00 0.00 O ATOM 865 OE2 GLU A 54 9.857 -2.311 -7.966 1.00 0.00 O ATOM 0 H GLU A 54 6.420 0.432 -4.826 1.00 0.00 H new ATOM 0 HA GLU A 54 9.217 0.569 -4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.833 -0.802 -5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.147 0.620 -6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.309 0.069 -7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.559 -0.299 -5.594 1.00 0.00 H new ATOM 872 N LYS A 55 7.761 3.063 -5.764 1.00 0.00 N ATOM 873 CA LYS A 55 7.922 4.460 -6.158 1.00 0.00 C ATOM 874 C LYS A 55 8.276 5.339 -4.963 1.00 0.00 C ATOM 875 O LYS A 55 9.107 6.241 -5.069 1.00 0.00 O ATOM 876 CB LYS A 55 6.643 4.980 -6.819 1.00 0.00 C ATOM 877 CG LYS A 55 6.574 4.697 -8.311 1.00 0.00 C ATOM 878 CD LYS A 55 7.628 5.481 -9.076 1.00 0.00 C ATOM 879 CE LYS A 55 7.521 5.239 -10.574 1.00 0.00 C ATOM 880 NZ LYS A 55 7.923 3.854 -10.943 1.00 0.00 N ATOM 0 H LYS A 55 6.831 2.682 -5.935 1.00 0.00 H new ATOM 0 HA LYS A 55 8.743 4.507 -6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.781 4.526 -6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.571 6.056 -6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.713 3.630 -8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.584 4.955 -8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.514 6.545 -8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.621 5.193 -8.729 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.496 5.418 -10.898 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.152 5.953 -11.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.917 3.755 -11.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.879 3.662 -10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.253 3.176 -10.527 1.00 0.00 H new ATOM 894 N LEU A 56 7.632 5.078 -3.831 1.00 0.00 N ATOM 895 CA LEU A 56 7.871 5.856 -2.620 1.00 0.00 C ATOM 896 C LEU A 56 9.113 5.372 -1.877 1.00 0.00 C ATOM 897 O LEU A 56 9.871 6.175 -1.332 1.00 0.00 O ATOM 898 CB LEU A 56 6.649 5.781 -1.701 1.00 0.00 C ATOM 899 CG LEU A 56 5.308 6.052 -2.387 1.00 0.00 C ATOM 900 CD1 LEU A 56 4.212 5.185 -1.786 1.00 0.00 C ATOM 901 CD2 LEU A 56 4.944 7.525 -2.279 1.00 0.00 C ATOM 0 H LEU A 56 6.941 4.335 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 56 8.042 6.891 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.614 4.791 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.777 6.499 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 56 5.404 5.797 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.267 5.393 -2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.468 4.133 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.115 5.406 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.988 7.701 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.867 7.805 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.716 8.127 -2.759 1.00 0.00 H new ATOM 913 N SER A 57 9.315 4.059 -1.850 1.00 0.00 N ATOM 914 CA SER A 57 10.463 3.477 -1.161 1.00 0.00 C ATOM 915 C SER A 57 11.750 3.653 -1.964 1.00 0.00 C ATOM 916 O SER A 57 12.792 4.001 -1.410 1.00 0.00 O ATOM 917 CB SER A 57 10.219 1.992 -0.890 1.00 0.00 C ATOM 918 OG SER A 57 11.177 1.474 0.017 1.00 0.00 O ATOM 0 H SER A 57 8.700 3.378 -2.296 1.00 0.00 H new ATOM 0 HA SER A 57 10.582 4.004 -0.215 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.217 1.853 -0.484 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.263 1.436 -1.827 1.00 0.00 H new ATOM 0 HG SER A 57 10.998 0.523 0.175 1.00 0.00 H new ATOM 1417 N SER A 90 7.946 -18.603 3.624 1.00 0.00 N ATOM 1418 CA SER A 90 7.660 -17.221 3.989 1.00 0.00 C ATOM 1419 C SER A 90 6.246 -17.089 4.550 1.00 0.00 C ATOM 1420 O SER A 90 5.375 -16.474 3.934 1.00 0.00 O ATOM 1421 CB SER A 90 7.830 -16.305 2.775 1.00 0.00 C ATOM 1422 OG SER A 90 6.758 -16.462 1.862 1.00 0.00 O ATOM 0 HA SER A 90 8.367 -16.920 4.762 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.883 -15.267 3.104 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.773 -16.529 2.276 1.00 0.00 H new ATOM 0 HG SER A 90 5.923 -16.171 2.285 1.00 0.00 H new ATOM 1428 N ALA A 91 6.026 -17.673 5.724 1.00 0.00 N ATOM 1429 CA ALA A 91 4.719 -17.625 6.370 1.00 0.00 C ATOM 1430 C ALA A 91 4.424 -16.231 6.913 1.00 0.00 C ATOM 1431 O ALA A 91 3.330 -15.699 6.725 1.00 0.00 O ATOM 1432 CB ALA A 91 4.649 -18.652 7.490 1.00 0.00 C ATOM 0 H ALA A 91 6.736 -18.185 6.247 1.00 0.00 H new ATOM 0 HA ALA A 91 3.963 -17.862 5.622 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.669 -18.607 7.965 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.808 -19.649 7.080 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.420 -18.437 8.229 1.00 0.00 H new ATOM 1438 N GLU A 92 5.405 -15.649 7.591 1.00 0.00 N ATOM 1439 CA GLU A 92 5.252 -14.319 8.168 1.00 0.00 C ATOM 1440 C GLU A 92 5.195 -13.250 7.079 1.00 0.00 C ATOM 1441 O GLU A 92 4.568 -12.207 7.253 1.00 0.00 O ATOM 1442 CB GLU A 92 6.405 -14.027 9.130 1.00 0.00 C ATOM 1443 CG GLU A 92 7.759 -13.921 8.445 1.00 0.00 C ATOM 1444 CD GLU A 92 8.811 -14.801 9.091 1.00 0.00 C ATOM 1445 OE1 GLU A 92 8.568 -16.019 9.221 1.00 0.00 O ATOM 1446 OE2 GLU A 92 9.878 -14.272 9.467 1.00 0.00 O ATOM 0 H GLU A 92 6.316 -16.077 7.755 1.00 0.00 H new ATOM 0 HA GLU A 92 4.311 -14.294 8.718 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.200 -13.095 9.657 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.448 -14.815 9.882 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.654 -14.198 7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.094 -12.884 8.469 1.00 0.00 H new ATOM 1453 N PHE A 93 5.856 -13.517 5.958 1.00 0.00 N ATOM 1454 CA PHE A 93 5.883 -12.576 4.843 1.00 0.00 C ATOM 1455 C PHE A 93 4.472 -12.243 4.364 1.00 0.00 C ATOM 1456 O PHE A 93 4.130 -11.076 4.179 1.00 0.00 O ATOM 1457 CB PHE A 93 6.703 -13.154 3.687 1.00 0.00 C ATOM 1458 CG PHE A 93 6.762 -12.258 2.483 1.00 0.00 C ATOM 1459 CD1 PHE A 93 7.585 -11.143 2.472 1.00 0.00 C ATOM 1460 CD2 PHE A 93 5.995 -12.532 1.361 1.00 0.00 C ATOM 1461 CE1 PHE A 93 7.642 -10.318 1.364 1.00 0.00 C ATOM 1462 CE2 PHE A 93 6.048 -11.711 0.251 1.00 0.00 C ATOM 1463 CZ PHE A 93 6.873 -10.602 0.252 1.00 0.00 C ATOM 0 H PHE A 93 6.380 -14.377 5.797 1.00 0.00 H new ATOM 0 HA PHE A 93 6.349 -11.655 5.192 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.718 -13.349 4.034 1.00 0.00 H new ATOM 0 HB3 PHE A 93 6.277 -14.114 3.395 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.188 -10.916 3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.349 -13.397 1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 93 8.287 -9.452 1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.445 -11.936 -0.617 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.916 -9.959 -0.615 1.00 0.00 H new ATOM 1473 N LEU A 94 3.663 -13.275 4.156 1.00 0.00 N ATOM 1474 CA LEU A 94 2.293 -13.092 3.686 1.00 0.00 C ATOM 1475 C LEU A 94 1.476 -12.246 4.660 1.00 0.00 C ATOM 1476 O LEU A 94 0.789 -11.309 4.253 1.00 0.00 O ATOM 1477 CB LEU A 94 1.618 -14.449 3.480 1.00 0.00 C ATOM 1478 CG LEU A 94 0.661 -14.522 2.291 1.00 0.00 C ATOM 1479 CD1 LEU A 94 1.364 -14.088 1.013 1.00 0.00 C ATOM 1480 CD2 LEU A 94 0.101 -15.928 2.143 1.00 0.00 C ATOM 0 H LEU A 94 3.931 -14.248 4.305 1.00 0.00 H new ATOM 0 HA LEU A 94 2.337 -12.563 2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.391 -15.206 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.068 -14.705 4.386 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.169 -13.840 2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.667 -14.146 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.716 -13.062 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.213 -14.744 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.578 -15.961 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.919 -16.630 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.439 -16.202 3.049 1.00 0.00 H new ATOM 1492 N GLU A 95 1.545 -12.585 5.943 1.00 0.00 N ATOM 1493 CA GLU A 95 0.801 -11.856 6.965 1.00 0.00 C ATOM 1494 C GLU A 95 1.389 -10.465 7.193 1.00 0.00 C ATOM 1495 O GLU A 95 0.664 -9.470 7.199 1.00 0.00 O ATOM 1496 CB GLU A 95 0.787 -12.641 8.280 1.00 0.00 C ATOM 1497 CG GLU A 95 2.171 -12.922 8.840 1.00 0.00 C ATOM 1498 CD GLU A 95 2.154 -13.972 9.934 1.00 0.00 C ATOM 1499 OE1 GLU A 95 1.400 -14.959 9.799 1.00 0.00 O ATOM 1500 OE2 GLU A 95 2.896 -13.808 10.924 1.00 0.00 O ATOM 0 H GLU A 95 2.107 -13.358 6.300 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.223 -11.739 6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.212 -12.083 9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.270 -13.587 8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.825 -13.253 8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.594 -11.998 9.234 1.00 0.00 H new ATOM 1507 N LYS A 96 2.703 -10.400 7.380 1.00 0.00 N ATOM 1508 CA LYS A 96 3.380 -9.127 7.610 1.00 0.00 C ATOM 1509 C LYS A 96 3.195 -8.187 6.423 1.00 0.00 C ATOM 1510 O LYS A 96 2.771 -7.042 6.585 1.00 0.00 O ATOM 1511 CB LYS A 96 4.871 -9.356 7.866 1.00 0.00 C ATOM 1512 CG LYS A 96 5.482 -8.359 8.837 1.00 0.00 C ATOM 1513 CD LYS A 96 5.439 -8.877 10.267 1.00 0.00 C ATOM 1514 CE LYS A 96 6.800 -8.777 10.937 1.00 0.00 C ATOM 1515 NZ LYS A 96 6.956 -9.779 12.027 1.00 0.00 N ATOM 0 H LYS A 96 3.320 -11.212 7.377 1.00 0.00 H new ATOM 0 HA LYS A 96 2.934 -8.663 8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.014 -10.364 8.256 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.406 -9.302 6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.515 -8.158 8.552 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.945 -7.413 8.775 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.708 -8.307 10.840 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.107 -9.915 10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.583 -8.925 10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.932 -7.774 11.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.897 -9.679 12.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.225 -9.622 12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.856 -10.737 11.635 1.00 0.00 H new ATOM 1529 N ARG A 97 3.514 -8.679 5.230 1.00 0.00 N ATOM 1530 CA ARG A 97 3.384 -7.884 4.014 1.00 0.00 C ATOM 1531 C ARG A 97 1.943 -7.425 3.814 1.00 0.00 C ATOM 1532 O ARG A 97 1.693 -6.352 3.265 1.00 0.00 O ATOM 1533 CB ARG A 97 3.849 -8.689 2.799 1.00 0.00 C ATOM 1534 CG ARG A 97 4.164 -7.829 1.585 1.00 0.00 C ATOM 1535 CD ARG A 97 5.581 -7.284 1.643 1.00 0.00 C ATOM 1536 NE ARG A 97 6.055 -6.849 0.331 1.00 0.00 N ATOM 1537 CZ ARG A 97 5.732 -5.683 -0.225 1.00 0.00 C ATOM 1538 NH1 ARG A 97 4.936 -4.833 0.413 1.00 0.00 N ATOM 1539 NH2 ARG A 97 6.205 -5.366 -1.423 1.00 0.00 N ATOM 0 H ARG A 97 3.865 -9.625 5.079 1.00 0.00 H new ATOM 0 HA ARG A 97 4.016 -7.002 4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 97 4.737 -9.260 3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.076 -9.409 2.533 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.036 -8.418 0.677 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.457 -7.002 1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.619 -6.445 2.338 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.249 -8.052 2.033 1.00 0.00 H new ATOM 0 HE ARG A 97 6.669 -7.475 -0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.569 -5.072 1.334 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.692 -3.941 -0.018 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.816 -6.015 -1.918 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.958 -4.473 -1.849 1.00 0.00 H new ATOM 1553 N ARG A 98 0.998 -8.243 4.266 1.00 0.00 N ATOM 1554 CA ARG A 98 -0.419 -7.921 4.141 1.00 0.00 C ATOM 1555 C ARG A 98 -0.767 -6.727 5.022 1.00 0.00 C ATOM 1556 O ARG A 98 -1.327 -5.734 4.558 1.00 0.00 O ATOM 1557 CB ARG A 98 -1.264 -9.139 4.529 1.00 0.00 C ATOM 1558 CG ARG A 98 -2.755 -8.854 4.642 1.00 0.00 C ATOM 1559 CD ARG A 98 -3.499 -10.025 5.267 1.00 0.00 C ATOM 1560 NE ARG A 98 -2.808 -10.552 6.442 1.00 0.00 N ATOM 1561 CZ ARG A 98 -2.966 -11.791 6.904 1.00 0.00 C ATOM 1562 NH1 ARG A 98 -3.796 -12.633 6.299 1.00 0.00 N ATOM 1563 NH2 ARG A 98 -2.295 -12.189 7.976 1.00 0.00 N ATOM 0 H ARG A 98 1.188 -9.135 4.723 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.636 -7.659 3.105 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -1.111 -9.924 3.789 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.906 -9.526 5.483 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -2.911 -7.959 5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.163 -8.648 3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.503 -9.707 5.550 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.612 -10.818 4.528 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.166 -9.934 6.938 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.317 -12.332 5.475 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.912 -13.581 6.658 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.658 -11.546 8.447 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.416 -13.138 8.330 1.00 0.00 H new ATOM 1577 N ALA A 99 -0.418 -6.834 6.295 1.00 0.00 N ATOM 1578 CA ALA A 99 -0.672 -5.773 7.258 1.00 0.00 C ATOM 1579 C ALA A 99 0.092 -4.506 6.887 1.00 0.00 C ATOM 1580 O ALA A 99 -0.497 -3.439 6.718 1.00 0.00 O ATOM 1581 CB ALA A 99 -0.288 -6.241 8.652 1.00 0.00 C ATOM 0 H ALA A 99 0.046 -7.653 6.688 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.736 -5.536 7.244 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.480 -5.443 9.369 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.879 -7.118 8.917 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.771 -6.498 8.671 1.00 0.00 H new ATOM 1587 N ALA A 100 1.411 -4.637 6.751 1.00 0.00 N ATOM 1588 CA ALA A 100 2.266 -3.509 6.388 1.00 0.00 C ATOM 1589 C ALA A 100 1.750 -2.812 5.135 1.00 0.00 C ATOM 1590 O ALA A 100 1.936 -1.608 4.959 1.00 0.00 O ATOM 1591 CB ALA A 100 3.701 -3.964 6.186 1.00 0.00 C ATOM 0 H ALA A 100 1.911 -5.515 6.887 1.00 0.00 H new ATOM 0 HA ALA A 100 2.242 -2.794 7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.320 -3.108 5.916 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.076 -4.406 7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.739 -4.705 5.387 1.00 0.00 H new ATOM 1597 N LEU A 101 1.110 -3.577 4.260 1.00 0.00 N ATOM 1598 CA LEU A 101 0.577 -3.026 3.023 1.00 0.00 C ATOM 1599 C LEU A 101 -0.445 -1.932 3.327 1.00 0.00 C ATOM 1600 O LEU A 101 -0.594 -0.977 2.565 1.00 0.00 O ATOM 1601 CB LEU A 101 -0.069 -4.139 2.182 1.00 0.00 C ATOM 1602 CG LEU A 101 0.571 -4.426 0.810 1.00 0.00 C ATOM 1603 CD1 LEU A 101 -0.271 -3.829 -0.307 1.00 0.00 C ATOM 1604 CD2 LEU A 101 2.002 -3.905 0.732 1.00 0.00 C ATOM 0 H LEU A 101 0.948 -4.576 4.384 1.00 0.00 H new ATOM 0 HA LEU A 101 1.397 -2.588 2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.053 -5.060 2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.116 -3.881 2.022 1.00 0.00 H new ATOM 0 HG LEU A 101 0.607 -5.508 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.196 -4.042 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.269 -4.267 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.345 -2.750 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.417 -4.127 -0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.006 -2.827 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.607 -4.388 1.499 1.00 0.00 H new ATOM 1616 N GLU A 102 -1.139 -2.073 4.452 1.00 0.00 N ATOM 1617 CA GLU A 102 -2.137 -1.092 4.863 1.00 0.00 C ATOM 1618 C GLU A 102 -1.484 0.198 5.352 1.00 0.00 C ATOM 1619 O GLU A 102 -1.794 1.284 4.861 1.00 0.00 O ATOM 1620 CB GLU A 102 -3.035 -1.660 5.960 1.00 0.00 C ATOM 1621 CG GLU A 102 -4.105 -0.683 6.419 1.00 0.00 C ATOM 1622 CD GLU A 102 -5.170 -1.343 7.275 1.00 0.00 C ATOM 1623 OE1 GLU A 102 -5.007 -2.534 7.614 1.00 0.00 O ATOM 1624 OE2 GLU A 102 -6.166 -0.666 7.608 1.00 0.00 O ATOM 0 H GLU A 102 -1.029 -2.857 5.095 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.743 -0.861 3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.514 -2.569 5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.420 -1.944 6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.637 0.123 6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.575 -0.229 5.547 1.00 0.00 H new ATOM 1631 N ARG A 103 -0.592 0.078 6.334 1.00 0.00 N ATOM 1632 CA ARG A 103 0.080 1.248 6.893 1.00 0.00 C ATOM 1633 C ARG A 103 0.817 2.023 5.808 1.00 0.00 C ATOM 1634 O ARG A 103 0.740 3.250 5.756 1.00 0.00 O ATOM 1635 CB ARG A 103 1.049 0.846 8.012 1.00 0.00 C ATOM 1636 CG ARG A 103 1.875 -0.394 7.705 1.00 0.00 C ATOM 1637 CD ARG A 103 3.340 -0.052 7.475 1.00 0.00 C ATOM 1638 NE ARG A 103 4.232 -0.950 8.204 1.00 0.00 N ATOM 1639 CZ ARG A 103 5.554 -0.798 8.261 1.00 0.00 C ATOM 1640 NH1 ARG A 103 6.139 0.215 7.633 1.00 0.00 N ATOM 1641 NH2 ARG A 103 6.292 -1.658 8.947 1.00 0.00 N ATOM 0 H ARG A 103 -0.320 -0.810 6.756 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.686 1.896 7.320 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.724 1.679 8.210 1.00 0.00 H new ATOM 0 HB3 ARG A 103 0.480 0.673 8.925 1.00 0.00 H new ATOM 0 HG2 ARG A 103 1.792 -1.100 8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 103 1.474 -0.889 6.821 1.00 0.00 H new ATOM 0 HD2 ARG A 103 3.562 -0.107 6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 103 3.526 0.976 7.787 1.00 0.00 H new ATOM 0 HE ARG A 103 3.818 -1.740 8.699 1.00 0.00 H new ATOM 0 HH11 ARG A 103 5.576 0.881 7.104 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.152 0.327 7.679 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.848 -2.438 9.432 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.304 -1.541 8.990 1.00 0.00 H new ATOM 1655 N TYR A 104 1.518 1.309 4.932 1.00 0.00 N ATOM 1656 CA TYR A 104 2.241 1.961 3.846 1.00 0.00 C ATOM 1657 C TYR A 104 1.267 2.728 2.954 1.00 0.00 C ATOM 1658 O TYR A 104 1.613 3.761 2.385 1.00 0.00 O ATOM 1659 CB TYR A 104 3.028 0.930 3.023 1.00 0.00 C ATOM 1660 CG TYR A 104 2.573 0.814 1.582 1.00 0.00 C ATOM 1661 CD1 TYR A 104 2.925 1.775 0.640 1.00 0.00 C ATOM 1662 CD2 TYR A 104 1.783 -0.248 1.171 1.00 0.00 C ATOM 1663 CE1 TYR A 104 2.501 1.673 -0.671 1.00 0.00 C ATOM 1664 CE2 TYR A 104 1.355 -0.356 -0.136 1.00 0.00 C ATOM 1665 CZ TYR A 104 1.716 0.606 -1.054 1.00 0.00 C ATOM 1666 OH TYR A 104 1.288 0.502 -2.355 1.00 0.00 O ATOM 0 H TYR A 104 1.600 0.293 4.952 1.00 0.00 H new ATOM 0 HA TYR A 104 2.952 2.666 4.276 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.085 1.198 3.039 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.939 -0.046 3.501 1.00 0.00 H new ATOM 0 HD1 TYR A 104 3.538 2.613 0.938 1.00 0.00 H new ATOM 0 HD2 TYR A 104 1.497 -1.005 1.887 1.00 0.00 H new ATOM 0 HE1 TYR A 104 2.783 2.426 -1.392 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.740 -1.191 -0.438 1.00 0.00 H new ATOM 0 HH TYR A 104 0.431 0.027 -2.381 1.00 0.00 H new ATOM 1676 N LEU A 105 0.047 2.207 2.832 1.00 0.00 N ATOM 1677 CA LEU A 105 -0.976 2.840 2.008 1.00 0.00 C ATOM 1678 C LEU A 105 -1.692 3.950 2.771 1.00 0.00 C ATOM 1679 O LEU A 105 -2.086 4.960 2.188 1.00 0.00 O ATOM 1680 CB LEU A 105 -1.999 1.806 1.535 1.00 0.00 C ATOM 1681 CG LEU A 105 -3.207 2.390 0.793 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -3.141 2.045 -0.688 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -4.512 1.896 1.412 1.00 0.00 C ATOM 0 H LEU A 105 -0.255 1.349 3.294 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.477 3.277 1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.498 1.093 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.357 1.247 2.400 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.179 3.475 0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.006 2.467 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.228 2.458 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.141 0.962 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.356 2.323 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.554 0.808 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.559 2.204 2.457 1.00 0.00 H new ATOM 1695 N GLN A 106 -1.872 3.749 4.071 1.00 0.00 N ATOM 1696 CA GLN A 106 -2.561 4.728 4.904 1.00 0.00 C ATOM 1697 C GLN A 106 -1.918 6.107 4.782 1.00 0.00 C ATOM 1698 O GLN A 106 -2.610 7.124 4.773 1.00 0.00 O ATOM 1699 CB GLN A 106 -2.555 4.285 6.367 1.00 0.00 C ATOM 1700 CG GLN A 106 -3.573 3.201 6.679 1.00 0.00 C ATOM 1701 CD GLN A 106 -4.875 3.761 7.216 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -5.640 4.395 6.488 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -5.135 3.529 8.498 1.00 0.00 N ATOM 0 H GLN A 106 -1.552 2.919 4.570 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.591 4.794 4.553 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -1.560 3.922 6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.752 5.150 7.001 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.774 2.626 5.775 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.151 2.510 7.409 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.473 2.999 9.065 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.997 3.881 8.915 1.00 0.00 H new ATOM 1712 N ARG A 107 -0.593 6.138 4.687 1.00 0.00 N ATOM 1713 CA ARG A 107 0.126 7.401 4.564 1.00 0.00 C ATOM 1714 C ARG A 107 -0.291 8.131 3.293 1.00 0.00 C ATOM 1715 O ARG A 107 -0.415 9.356 3.281 1.00 0.00 O ATOM 1716 CB ARG A 107 1.635 7.164 4.560 1.00 0.00 C ATOM 1717 CG ARG A 107 2.091 6.158 3.515 1.00 0.00 C ATOM 1718 CD ARG A 107 3.068 6.771 2.525 1.00 0.00 C ATOM 1719 NE ARG A 107 3.739 5.750 1.721 1.00 0.00 N ATOM 1720 CZ ARG A 107 5.060 5.652 1.580 1.00 0.00 C ATOM 1721 NH1 ARG A 107 5.872 6.519 2.173 1.00 0.00 N ATOM 1722 NH2 ARG A 107 5.572 4.682 0.835 1.00 0.00 N ATOM 0 H ARG A 107 0.002 5.309 4.693 1.00 0.00 H new ATOM 0 HA ARG A 107 -0.127 8.021 5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 107 2.143 8.112 4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 107 1.942 6.815 5.546 1.00 0.00 H new ATOM 0 HG2 ARG A 107 2.561 5.308 4.010 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.224 5.774 2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 107 2.536 7.459 1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.813 7.356 3.064 1.00 0.00 H new ATOM 0 HE ARG A 107 3.157 5.067 1.236 1.00 0.00 H new ATOM 0 HH11 ARG A 107 5.486 7.271 2.744 1.00 0.00 H new ATOM 0 HH12 ARG A 107 6.882 6.433 2.057 1.00 0.00 H new ATOM 0 HH21 ARG A 107 4.955 4.014 0.372 1.00 0.00 H new ATOM 0 HH22 ARG A 107 6.583 4.603 0.724 1.00 0.00 H new ATOM 1736 N ILE A 108 -0.518 7.371 2.226 1.00 0.00 N ATOM 1737 CA ILE A 108 -0.931 7.950 0.958 1.00 0.00 C ATOM 1738 C ILE A 108 -2.404 8.318 1.003 1.00 0.00 C ATOM 1739 O ILE A 108 -2.788 9.427 0.638 1.00 0.00 O ATOM 1740 CB ILE A 108 -0.665 6.979 -0.214 1.00 0.00 C ATOM 1741 CG1 ILE A 108 0.826 6.656 -0.287 1.00 0.00 C ATOM 1742 CG2 ILE A 108 -1.146 7.570 -1.532 1.00 0.00 C ATOM 1743 CD1 ILE A 108 1.128 5.361 -1.000 1.00 0.00 C ATOM 0 H ILE A 108 -0.422 6.356 2.217 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.341 8.852 0.793 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.223 6.059 -0.037 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.341 7.470 -0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.229 6.607 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -0.947 6.866 -2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -2.217 7.763 -1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.619 8.504 -1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.205 5.196 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.641 4.537 -0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.756 5.414 -2.023 1.00 0.00 H new ATOM 1755 N VAL A 109 -3.228 7.393 1.475 1.00 0.00 N ATOM 1756 CA VAL A 109 -4.654 7.647 1.582 1.00 0.00 C ATOM 1757 C VAL A 109 -4.918 8.778 2.572 1.00 0.00 C ATOM 1758 O VAL A 109 -5.914 9.493 2.467 1.00 0.00 O ATOM 1759 CB VAL A 109 -5.430 6.380 2.004 1.00 0.00 C ATOM 1760 CG1 VAL A 109 -4.898 5.156 1.273 1.00 0.00 C ATOM 1761 CG2 VAL A 109 -5.379 6.169 3.513 1.00 0.00 C ATOM 0 H VAL A 109 -2.935 6.467 1.787 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.010 7.943 0.595 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.474 6.524 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.458 4.274 1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.011 5.297 0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.843 5.019 1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.935 5.269 3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.342 6.059 3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.823 7.028 4.016 1.00 0.00 H new ATOM 1771 N ASN A 110 -4.007 8.934 3.532 1.00 0.00 N ATOM 1772 CA ASN A 110 -4.126 9.979 4.540 1.00 0.00 C ATOM 1773 C ASN A 110 -4.193 11.362 3.896 1.00 0.00 C ATOM 1774 O ASN A 110 -5.163 12.096 4.088 1.00 0.00 O ATOM 1775 CB ASN A 110 -2.942 9.914 5.512 1.00 0.00 C ATOM 1776 CG ASN A 110 -3.344 9.393 6.878 1.00 0.00 C ATOM 1777 OD1 ASN A 110 -3.452 10.156 7.838 1.00 0.00 O ATOM 1778 ND2 ASN A 110 -3.565 8.088 6.972 1.00 0.00 N ATOM 0 H ASN A 110 -3.178 8.347 3.630 1.00 0.00 H new ATOM 0 HA ASN A 110 -5.053 9.812 5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -2.167 9.271 5.094 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.508 10.908 5.619 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.836 7.680 7.867 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -3.464 7.493 6.150 1.00 0.00 H new ATOM 1785 N HIS A 111 -3.158 11.716 3.137 1.00 0.00 N ATOM 1786 CA HIS A 111 -3.112 13.015 2.477 1.00 0.00 C ATOM 1787 C HIS A 111 -3.444 12.890 0.992 1.00 0.00 C ATOM 1788 O HIS A 111 -2.858 12.070 0.289 1.00 0.00 O ATOM 1789 CB HIS A 111 -1.733 13.653 2.654 1.00 0.00 C ATOM 1790 CG HIS A 111 -1.653 14.585 3.823 1.00 0.00 C ATOM 1791 ND1 HIS A 111 -1.047 15.822 3.759 1.00 0.00 N ATOM 1792 CD2 HIS A 111 -2.111 14.457 5.091 1.00 0.00 C ATOM 1793 CE1 HIS A 111 -1.134 16.414 4.937 1.00 0.00 C ATOM 1794 NE2 HIS A 111 -1.776 15.607 5.763 1.00 0.00 N ATOM 0 H HIS A 111 -2.345 11.124 2.966 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.862 13.654 2.942 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.990 12.865 2.776 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -1.474 14.198 1.746 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -2.641 13.609 5.498 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -0.746 17.392 5.183 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -1.988 15.806 6.741 1.00 0.00 H new ATOM 1803 N PRO A 112 -4.388 13.708 0.490 1.00 0.00 N ATOM 1804 CA PRO A 112 -4.779 13.679 -0.922 1.00 0.00 C ATOM 1805 C PRO A 112 -3.699 14.249 -1.835 1.00 0.00 C ATOM 1806 O PRO A 112 -3.409 13.694 -2.895 1.00 0.00 O ATOM 1807 CB PRO A 112 -6.030 14.560 -0.960 1.00 0.00 C ATOM 1808 CG PRO A 112 -5.867 15.496 0.186 1.00 0.00 C ATOM 1809 CD PRO A 112 -5.138 14.724 1.253 1.00 0.00 C ATOM 0 HA PRO A 112 -4.944 12.662 -1.279 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -6.106 15.099 -1.904 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -6.937 13.964 -0.859 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -5.303 16.380 -0.110 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -6.835 15.842 0.548 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -4.472 15.366 1.829 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -5.829 14.266 1.960 1.00 0.00 H new ATOM 1817 N THR A 113 -3.110 15.367 -1.417 1.00 0.00 N ATOM 1818 CA THR A 113 -2.065 16.024 -2.197 1.00 0.00 C ATOM 1819 C THR A 113 -0.715 15.331 -2.024 1.00 0.00 C ATOM 1820 O THR A 113 0.139 15.390 -2.908 1.00 0.00 O ATOM 1821 CB THR A 113 -1.950 17.496 -1.793 1.00 0.00 C ATOM 1822 OG1 THR A 113 -3.141 17.938 -1.165 1.00 0.00 O ATOM 1823 CG2 THR A 113 -1.677 18.418 -2.961 1.00 0.00 C ATOM 0 H THR A 113 -3.339 15.837 -0.541 1.00 0.00 H new ATOM 0 HA THR A 113 -2.346 15.957 -3.248 1.00 0.00 H new ATOM 0 HB THR A 113 -1.102 17.542 -1.109 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.047 18.880 -0.913 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.607 19.446 -2.605 1.00 0.00 H new ATOM 0 HG22 THR A 113 -0.738 18.134 -3.437 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.489 18.339 -3.684 1.00 0.00 H new ATOM 1831 N MET A 114 -0.523 14.679 -0.880 1.00 0.00 N ATOM 1832 CA MET A 114 0.731 13.981 -0.599 1.00 0.00 C ATOM 1833 C MET A 114 1.053 12.971 -1.697 1.00 0.00 C ATOM 1834 O MET A 114 2.217 12.640 -1.927 1.00 0.00 O ATOM 1835 CB MET A 114 0.653 13.273 0.756 1.00 0.00 C ATOM 1836 CG MET A 114 1.926 12.528 1.130 1.00 0.00 C ATOM 1837 SD MET A 114 1.622 11.155 2.259 1.00 0.00 S ATOM 1838 CE MET A 114 1.921 9.754 1.183 1.00 0.00 C ATOM 0 H MET A 114 -1.216 14.619 -0.134 1.00 0.00 H new ATOM 0 HA MET A 114 1.530 14.722 -0.569 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.433 14.009 1.529 1.00 0.00 H new ATOM 0 HB3 MET A 114 -0.179 12.569 0.741 1.00 0.00 H new ATOM 0 HG2 MET A 114 2.400 12.150 0.224 1.00 0.00 H new ATOM 0 HG3 MET A 114 2.627 13.224 1.591 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.538 8.847 1.651 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.415 9.912 0.231 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.992 9.649 1.011 1.00 0.00 H new ATOM 1848 N LEU A 115 0.018 12.486 -2.372 1.00 0.00 N ATOM 1849 CA LEU A 115 0.190 11.513 -3.446 1.00 0.00 C ATOM 1850 C LEU A 115 1.100 12.071 -4.538 1.00 0.00 C ATOM 1851 O LEU A 115 2.092 11.449 -4.911 1.00 0.00 O ATOM 1852 CB LEU A 115 -1.172 11.141 -4.039 1.00 0.00 C ATOM 1853 CG LEU A 115 -1.987 10.126 -3.230 1.00 0.00 C ATOM 1854 CD1 LEU A 115 -1.986 10.479 -1.749 1.00 0.00 C ATOM 1855 CD2 LEU A 115 -3.414 10.052 -3.751 1.00 0.00 C ATOM 0 H LEU A 115 -0.951 12.750 -2.195 1.00 0.00 H new ATOM 0 HA LEU A 115 0.656 10.619 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.762 12.051 -4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.016 10.740 -5.041 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.518 9.149 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.572 9.742 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.962 10.480 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.424 11.467 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -3.978 9.326 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -3.884 11.032 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.404 9.745 -4.797 1.00 0.00 H new ATOM 1867 N GLN A 116 0.759 13.260 -5.031 1.00 0.00 N ATOM 1868 CA GLN A 116 1.546 13.923 -6.069 1.00 0.00 C ATOM 1869 C GLN A 116 1.512 13.146 -7.383 1.00 0.00 C ATOM 1870 O GLN A 116 0.954 13.614 -8.376 1.00 0.00 O ATOM 1871 CB GLN A 116 2.993 14.101 -5.603 1.00 0.00 C ATOM 1872 CG GLN A 116 3.370 15.550 -5.335 1.00 0.00 C ATOM 1873 CD GLN A 116 4.801 15.863 -5.726 1.00 0.00 C ATOM 1874 OE1 GLN A 116 5.681 15.006 -5.643 1.00 0.00 O ATOM 1875 NE2 GLN A 116 5.040 17.097 -6.154 1.00 0.00 N ATOM 0 H GLN A 116 -0.060 13.786 -4.727 1.00 0.00 H new ATOM 0 HA GLN A 116 1.101 14.902 -6.247 1.00 0.00 H new ATOM 0 HB2 GLN A 116 3.148 13.519 -4.694 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.663 13.694 -6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 116 2.695 16.205 -5.886 1.00 0.00 H new ATOM 0 HG3 GLN A 116 3.231 15.768 -4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 116 4.280 17.775 -6.206 1.00 0.00 H new ATOM 0 HE22 GLN A 116 5.984 17.367 -6.430 1.00 0.00 H new ATOM 1884 N ASP A 117 2.119 11.964 -7.388 1.00 0.00 N ATOM 1885 CA ASP A 117 2.164 11.135 -8.586 1.00 0.00 C ATOM 1886 C ASP A 117 0.755 10.837 -9.098 1.00 0.00 C ATOM 1887 O ASP A 117 -0.061 10.251 -8.386 1.00 0.00 O ATOM 1888 CB ASP A 117 2.903 9.826 -8.297 1.00 0.00 C ATOM 1889 CG ASP A 117 4.115 9.635 -9.188 1.00 0.00 C ATOM 1890 OD1 ASP A 117 4.017 9.942 -10.395 1.00 0.00 O ATOM 1891 OD2 ASP A 117 5.160 9.180 -8.680 1.00 0.00 O ATOM 0 H ASP A 117 2.586 11.559 -6.577 1.00 0.00 H new ATOM 0 HA ASP A 117 2.701 11.685 -9.358 1.00 0.00 H new ATOM 0 HB2 ASP A 117 3.217 9.813 -7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 117 2.219 8.988 -8.435 1.00 0.00 H new ATOM 1896 N PRO A 118 0.447 11.241 -10.345 1.00 0.00 N ATOM 1897 CA PRO A 118 -0.873 11.014 -10.942 1.00 0.00 C ATOM 1898 C PRO A 118 -1.290 9.547 -10.902 1.00 0.00 C ATOM 1899 O PRO A 118 -2.478 9.232 -10.971 1.00 0.00 O ATOM 1900 CB PRO A 118 -0.697 11.479 -12.391 1.00 0.00 C ATOM 1901 CG PRO A 118 0.434 12.444 -12.346 1.00 0.00 C ATOM 1902 CD PRO A 118 1.355 11.948 -11.267 1.00 0.00 C ATOM 0 HA PRO A 118 -1.656 11.545 -10.401 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -0.475 10.641 -13.051 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -1.605 11.951 -12.768 1.00 0.00 H new ATOM 0 HG2 PRO A 118 0.947 12.490 -13.307 1.00 0.00 H new ATOM 0 HG3 PRO A 118 0.080 13.451 -12.125 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.121 11.283 -11.666 1.00 0.00 H new ATOM 0 HD3 PRO A 118 1.873 12.769 -10.771 1.00 0.00 H new ATOM 1910 N ASP A 119 -0.311 8.652 -10.790 1.00 0.00 N ATOM 1911 CA ASP A 119 -0.596 7.224 -10.740 1.00 0.00 C ATOM 1912 C ASP A 119 -1.150 6.834 -9.383 1.00 0.00 C ATOM 1913 O ASP A 119 -2.192 6.190 -9.288 1.00 0.00 O ATOM 1914 CB ASP A 119 0.661 6.408 -11.019 1.00 0.00 C ATOM 1915 CG ASP A 119 1.494 6.981 -12.150 1.00 0.00 C ATOM 1916 OD1 ASP A 119 1.978 8.124 -12.011 1.00 0.00 O ATOM 1917 OD2 ASP A 119 1.662 6.286 -13.174 1.00 0.00 O ATOM 0 H ASP A 119 0.679 8.890 -10.733 1.00 0.00 H new ATOM 0 HA ASP A 119 -1.339 7.011 -11.509 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.267 6.362 -10.114 1.00 0.00 H new ATOM 0 HB3 ASP A 119 0.377 5.385 -11.265 1.00 0.00 H new ATOM 1922 N VAL A 120 -0.446 7.234 -8.331 1.00 0.00 N ATOM 1923 CA VAL A 120 -0.875 6.928 -6.976 1.00 0.00 C ATOM 1924 C VAL A 120 -2.244 7.525 -6.723 1.00 0.00 C ATOM 1925 O VAL A 120 -3.106 6.901 -6.105 1.00 0.00 O ATOM 1926 CB VAL A 120 0.108 7.461 -5.920 1.00 0.00 C ATOM 1927 CG1 VAL A 120 -0.113 6.748 -4.596 1.00 0.00 C ATOM 1928 CG2 VAL A 120 1.548 7.306 -6.393 1.00 0.00 C ATOM 0 H VAL A 120 0.421 7.769 -8.392 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.910 5.842 -6.887 1.00 0.00 H new ATOM 0 HB VAL A 120 -0.078 8.525 -5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.588 7.132 -3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -1.134 6.922 -4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.048 5.678 -4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.225 7.690 -5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.761 6.252 -6.570 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.689 7.865 -7.318 1.00 0.00 H new ATOM 1938 N ARG A 121 -2.443 8.731 -7.235 1.00 0.00 N ATOM 1939 CA ARG A 121 -3.716 9.410 -7.101 1.00 0.00 C ATOM 1940 C ARG A 121 -4.823 8.544 -7.684 1.00 0.00 C ATOM 1941 O ARG A 121 -5.970 8.599 -7.241 1.00 0.00 O ATOM 1942 CB ARG A 121 -3.674 10.774 -7.795 1.00 0.00 C ATOM 1943 CG ARG A 121 -4.887 11.641 -7.506 1.00 0.00 C ATOM 1944 CD ARG A 121 -4.598 12.659 -6.413 1.00 0.00 C ATOM 1945 NE ARG A 121 -5.051 14.000 -6.776 1.00 0.00 N ATOM 1946 CZ ARG A 121 -6.305 14.424 -6.636 1.00 0.00 C ATOM 1947 NH1 ARG A 121 -7.237 13.615 -6.147 1.00 0.00 N ATOM 1948 NH2 ARG A 121 -6.628 15.661 -6.986 1.00 0.00 N ATOM 0 H ARG A 121 -1.735 9.257 -7.747 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.919 9.577 -6.043 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.775 11.305 -7.481 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.594 10.622 -8.871 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -5.190 12.159 -8.416 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.723 11.010 -7.205 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -5.089 12.349 -5.490 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.527 12.681 -6.213 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.365 14.650 -7.160 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -6.994 12.662 -5.876 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -8.196 13.946 -6.042 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -5.916 16.287 -7.362 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -7.589 15.987 -6.879 1.00 0.00 H new ATOM 1962 N GLU A 122 -4.466 7.739 -8.686 1.00 0.00 N ATOM 1963 CA GLU A 122 -5.431 6.858 -9.328 1.00 0.00 C ATOM 1964 C GLU A 122 -5.090 5.385 -9.101 1.00 0.00 C ATOM 1965 O GLU A 122 -5.651 4.510 -9.761 1.00 0.00 O ATOM 1966 CB GLU A 122 -5.494 7.149 -10.828 1.00 0.00 C ATOM 1967 CG GLU A 122 -6.213 8.444 -11.166 1.00 0.00 C ATOM 1968 CD GLU A 122 -7.704 8.251 -11.359 1.00 0.00 C ATOM 1969 OE1 GLU A 122 -8.089 7.381 -12.169 1.00 0.00 O ATOM 1970 OE2 GLU A 122 -8.486 8.969 -10.702 1.00 0.00 O ATOM 0 H GLU A 122 -3.521 7.682 -9.066 1.00 0.00 H new ATOM 0 HA GLU A 122 -6.404 7.052 -8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -4.480 7.192 -11.224 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -5.997 6.322 -11.329 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -6.045 9.167 -10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -5.785 8.866 -12.075 1.00 0.00 H new ATOM 1977 N PHE A 123 -4.175 5.102 -8.170 1.00 0.00 N ATOM 1978 CA PHE A 123 -3.795 3.724 -7.894 1.00 0.00 C ATOM 1979 C PHE A 123 -4.801 3.059 -6.955 1.00 0.00 C ATOM 1980 O PHE A 123 -5.259 1.947 -7.212 1.00 0.00 O ATOM 1981 CB PHE A 123 -2.390 3.669 -7.286 1.00 0.00 C ATOM 1982 CG PHE A 123 -2.085 2.370 -6.595 1.00 0.00 C ATOM 1983 CD1 PHE A 123 -1.548 1.303 -7.297 1.00 0.00 C ATOM 1984 CD2 PHE A 123 -2.348 2.215 -5.245 1.00 0.00 C ATOM 1985 CE1 PHE A 123 -1.280 0.105 -6.663 1.00 0.00 C ATOM 1986 CE2 PHE A 123 -2.080 1.021 -4.605 1.00 0.00 C ATOM 1987 CZ PHE A 123 -1.546 -0.035 -5.316 1.00 0.00 C ATOM 0 H PHE A 123 -3.693 5.801 -7.605 1.00 0.00 H new ATOM 0 HA PHE A 123 -3.793 3.178 -8.837 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -1.655 3.833 -8.074 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -2.280 4.485 -6.572 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -1.337 1.409 -8.351 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -2.768 3.038 -4.685 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -0.863 -0.721 -7.221 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -2.288 0.914 -3.551 1.00 0.00 H new ATOM 0 HZ PHE A 123 -1.336 -0.970 -4.818 1.00 0.00 H new ATOM 1997 N LEU A 124 -5.137 3.745 -5.868 1.00 0.00 N ATOM 1998 CA LEU A 124 -6.085 3.209 -4.895 1.00 0.00 C ATOM 1999 C LEU A 124 -7.517 3.247 -5.427 1.00 0.00 C ATOM 2000 O LEU A 124 -8.423 2.672 -4.826 1.00 0.00 O ATOM 2001 CB LEU A 124 -5.995 3.975 -3.572 1.00 0.00 C ATOM 2002 CG LEU A 124 -5.829 5.492 -3.701 1.00 0.00 C ATOM 2003 CD1 LEU A 124 -6.634 6.210 -2.627 1.00 0.00 C ATOM 2004 CD2 LEU A 124 -4.358 5.874 -3.612 1.00 0.00 C ATOM 0 H LEU A 124 -4.770 4.668 -5.638 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.817 2.167 -4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.896 3.773 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -5.154 3.582 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 124 -6.207 5.800 -4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -6.504 7.287 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -7.689 5.959 -2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.286 5.899 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.257 6.955 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.956 5.554 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.806 5.387 -4.416 1.00 0.00 H new ATOM 2016 N GLU A 125 -7.718 3.922 -6.556 1.00 0.00 N ATOM 2017 CA GLU A 125 -9.045 4.023 -7.157 1.00 0.00 C ATOM 2018 C GLU A 125 -9.088 3.324 -8.515 1.00 0.00 C ATOM 2019 O GLU A 125 -9.965 3.600 -9.335 1.00 0.00 O ATOM 2020 CB GLU A 125 -9.447 5.490 -7.313 1.00 0.00 C ATOM 2021 CG GLU A 125 -10.918 5.684 -7.641 1.00 0.00 C ATOM 2022 CD GLU A 125 -11.133 6.425 -8.947 1.00 0.00 C ATOM 2023 OE1 GLU A 125 -10.504 6.045 -9.956 1.00 0.00 O ATOM 2024 OE2 GLU A 125 -11.932 7.385 -8.960 1.00 0.00 O ATOM 0 H GLU A 125 -6.982 4.405 -7.071 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.753 3.527 -6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -9.215 6.022 -6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.845 5.942 -8.101 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -11.405 4.711 -7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -11.397 6.235 -6.832 1.00 0.00 H new ATOM 2031 N LYS A 126 -8.140 2.422 -8.747 1.00 0.00 N ATOM 2032 CA LYS A 126 -8.076 1.688 -10.007 1.00 0.00 C ATOM 2033 C LYS A 126 -8.624 0.274 -9.845 1.00 0.00 C ATOM 2034 O LYS A 126 -8.626 -0.281 -8.747 1.00 0.00 O ATOM 2035 CB LYS A 126 -6.634 1.635 -10.516 1.00 0.00 C ATOM 2036 CG LYS A 126 -6.493 2.021 -11.980 1.00 0.00 C ATOM 2037 CD LYS A 126 -5.543 1.088 -12.714 1.00 0.00 C ATOM 2038 CE LYS A 126 -4.144 1.140 -12.122 1.00 0.00 C ATOM 2039 NZ LYS A 126 -3.414 2.372 -12.528 1.00 0.00 N ATOM 0 H LYS A 126 -7.406 2.182 -8.081 1.00 0.00 H new ATOM 0 HA LYS A 126 -8.693 2.213 -10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -6.019 2.302 -9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -6.244 0.627 -10.375 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -7.472 1.996 -12.460 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -6.128 3.045 -12.054 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -5.923 0.067 -12.664 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -5.504 1.362 -13.768 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -4.208 1.098 -11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -3.582 0.263 -12.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -2.465 2.369 -12.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -3.330 2.400 -13.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -3.937 3.209 -12.200 1.00 0.00 H new ATOM 2053 N GLU A 127 -9.087 -0.305 -10.950 1.00 0.00 N ATOM 2054 CA GLU A 127 -9.636 -1.656 -10.933 1.00 0.00 C ATOM 2055 C GLU A 127 -9.080 -2.488 -12.086 1.00 0.00 C ATOM 2056 O GLU A 127 -9.697 -3.466 -12.508 1.00 0.00 O ATOM 2057 CB GLU A 127 -11.163 -1.610 -11.016 1.00 0.00 C ATOM 2058 CG GLU A 127 -11.791 -0.583 -10.090 1.00 0.00 C ATOM 2059 CD GLU A 127 -12.407 0.583 -10.839 1.00 0.00 C ATOM 2060 OE1 GLU A 127 -12.040 0.793 -12.014 1.00 0.00 O ATOM 2061 OE2 GLU A 127 -13.258 1.284 -10.253 1.00 0.00 O ATOM 0 H GLU A 127 -9.092 0.141 -11.867 1.00 0.00 H new ATOM 0 HA GLU A 127 -9.342 -2.126 -9.995 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.456 -1.389 -12.042 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -11.562 -2.596 -10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -12.558 -1.067 -9.485 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -11.033 -0.208 -9.403 1.00 0.00 H new ATOM 2068 N GLU A 128 -7.912 -2.090 -12.589 1.00 0.00 N ATOM 2069 CA GLU A 128 -7.262 -2.793 -13.696 1.00 0.00 C ATOM 2070 C GLU A 128 -8.264 -3.165 -14.786 1.00 0.00 C ATOM 2071 O GLU A 128 -9.351 -2.553 -14.823 1.00 0.00 O ATOM 2072 CB GLU A 128 -6.553 -4.050 -13.186 1.00 0.00 C ATOM 2073 CG GLU A 128 -7.461 -4.994 -12.415 1.00 0.00 C ATOM 2074 CD GLU A 128 -6.796 -6.321 -12.105 1.00 0.00 C ATOM 2075 OE1 GLU A 128 -5.725 -6.312 -11.464 1.00 0.00 O ATOM 2076 OE2 GLU A 128 -7.347 -7.369 -12.504 1.00 0.00 O ATOM 2077 OXT GLU A 128 -7.950 -4.064 -15.594 1.00 0.00 O ATOM 0 H GLU A 128 -7.394 -1.281 -12.246 1.00 0.00 H new ATOM 0 HA GLU A 128 -6.525 -2.117 -14.130 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -6.125 -4.584 -14.034 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -5.723 -3.753 -12.544 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -7.766 -4.518 -11.483 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -8.368 -5.173 -12.993 1.00 0.00 H new