USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 826 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -160:sc= -0.544 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 157:sc= -1.12 (180deg=-3.57!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.258 K(o=-0.26,f=-1.5) USER MOD Single : A 40 GLN : amide:sc= -1.57 K(o=-1.6,f=-2.3!) USER MOD Single : A 52 THR OG1 : rot 79:sc= -0.0701 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 80 GLN : amide:sc= -1 K(o=-1,f=-0.14) USER MOD Single : A 83 MET CE :methyl -121:sc= -0.0523 (180deg=-1.68) USER MOD Single : A 89 LYS NZ :NH3+ -141:sc= -2.21 (180deg=-4.37!) USER MOD Single : A 93 SER OG : rot -7:sc= 0.122 USER MOD Single : A 94 HIS : no HD1:sc= -2.32 K(o=-2.3,f=-2.8) USER MOD Single : A 102 HIS : no HD1:sc= -7.35! C(o=-7.3!,f=-7!) USER MOD Single : A 106 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0784) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 194.569 -7.924 8.800 1.00 0.00 N ATOM 2 CA MET A 1 195.657 -7.697 7.814 1.00 0.00 C ATOM 3 C MET A 1 195.407 -8.477 6.527 1.00 0.00 C ATOM 4 O MET A 1 195.246 -7.892 5.456 1.00 0.00 O ATOM 5 CB MET A 1 196.983 -8.129 8.443 1.00 0.00 C ATOM 6 CG MET A 1 198.166 -7.277 8.013 1.00 0.00 C ATOM 7 SD MET A 1 199.316 -6.950 9.364 1.00 0.00 S ATOM 8 CE MET A 1 198.974 -5.222 9.689 1.00 0.00 C ATOM 0 H1 MET A 1 194.766 -7.381 9.665 1.00 0.00 H new ATOM 0 H2 MET A 1 193.663 -7.613 8.395 1.00 0.00 H new ATOM 0 H3 MET A 1 194.516 -8.937 9.031 1.00 0.00 H new ATOM 0 HA MET A 1 195.690 -6.639 7.556 1.00 0.00 H new ATOM 0 HB2 MET A 1 196.891 -8.087 9.528 1.00 0.00 H new ATOM 0 HB3 MET A 1 197.179 -9.168 8.179 1.00 0.00 H new ATOM 0 HG2 MET A 1 198.696 -7.780 7.204 1.00 0.00 H new ATOM 0 HG3 MET A 1 197.801 -6.330 7.615 1.00 0.00 H new ATOM 0 HE1 MET A 1 199.609 -4.872 10.503 1.00 0.00 H new ATOM 0 HE2 MET A 1 199.177 -4.636 8.793 1.00 0.00 H new ATOM 0 HE3 MET A 1 197.927 -5.105 9.970 1.00 0.00 H new ATOM 18 N THR A 2 195.377 -9.801 6.639 1.00 0.00 N ATOM 19 CA THR A 2 195.146 -10.661 5.484 1.00 0.00 C ATOM 20 C THR A 2 193.749 -10.428 4.912 1.00 0.00 C ATOM 21 O THR A 2 193.537 -10.550 3.707 1.00 0.00 O ATOM 22 CB THR A 2 195.340 -12.136 5.880 1.00 0.00 C ATOM 23 OG1 THR A 2 196.689 -12.525 5.698 1.00 0.00 O ATOM 24 CG2 THR A 2 194.477 -13.117 5.103 1.00 0.00 C ATOM 0 H THR A 2 195.510 -10.302 7.518 1.00 0.00 H new ATOM 0 HA THR A 2 195.870 -10.413 4.708 1.00 0.00 H new ATOM 0 HB THR A 2 195.038 -12.180 6.926 1.00 0.00 H new ATOM 0 HG1 THR A 2 196.796 -13.464 5.956 1.00 0.00 H new ATOM 0 HG21 THR A 2 194.679 -14.131 5.447 1.00 0.00 H new ATOM 0 HG22 THR A 2 193.425 -12.882 5.263 1.00 0.00 H new ATOM 0 HG23 THR A 2 194.708 -13.042 4.040 1.00 0.00 H new ATOM 32 N THR A 3 192.802 -10.100 5.792 1.00 0.00 N ATOM 33 CA THR A 3 191.414 -9.850 5.397 1.00 0.00 C ATOM 34 C THR A 3 190.901 -10.926 4.442 1.00 0.00 C ATOM 35 O THR A 3 191.221 -10.926 3.254 1.00 0.00 O ATOM 36 CB THR A 3 191.269 -8.462 4.760 1.00 0.00 C ATOM 37 OG1 THR A 3 189.967 -8.293 4.226 1.00 0.00 O ATOM 38 CG2 THR A 3 192.257 -8.191 3.645 1.00 0.00 C ATOM 0 H THR A 3 192.973 -10.000 6.793 1.00 0.00 H new ATOM 0 HA THR A 3 190.807 -9.885 6.302 1.00 0.00 H new ATOM 0 HB THR A 3 191.468 -7.759 5.569 1.00 0.00 H new ATOM 0 HG1 THR A 3 189.891 -7.402 3.825 1.00 0.00 H new ATOM 0 HG21 THR A 3 192.090 -7.190 3.246 1.00 0.00 H new ATOM 0 HG22 THR A 3 193.273 -8.262 4.034 1.00 0.00 H new ATOM 0 HG23 THR A 3 192.120 -8.925 2.851 1.00 0.00 H new ATOM 46 N GLU A 4 190.095 -11.841 4.973 1.00 0.00 N ATOM 47 CA GLU A 4 189.532 -12.923 4.173 1.00 0.00 C ATOM 48 C GLU A 4 188.140 -12.557 3.665 1.00 0.00 C ATOM 49 O GLU A 4 187.704 -13.039 2.620 1.00 0.00 O ATOM 50 CB GLU A 4 189.461 -14.219 4.990 1.00 0.00 C ATOM 51 CG GLU A 4 190.603 -14.394 5.982 1.00 0.00 C ATOM 52 CD GLU A 4 190.309 -15.455 7.025 1.00 0.00 C ATOM 53 OE1 GLU A 4 189.650 -15.130 8.034 1.00 0.00 O ATOM 54 OE2 GLU A 4 190.739 -16.612 6.832 1.00 0.00 O ATOM 0 H GLU A 4 189.817 -11.854 5.954 1.00 0.00 H new ATOM 0 HA GLU A 4 190.187 -13.079 3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 4 188.516 -14.242 5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 4 189.456 -15.067 4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 4 191.511 -14.662 5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 4 190.797 -13.444 6.480 1.00 0.00 H new ATOM 61 N ILE A 5 187.448 -11.701 4.411 1.00 0.00 N ATOM 62 CA ILE A 5 186.106 -11.272 4.032 1.00 0.00 C ATOM 63 C ILE A 5 186.162 -10.267 2.886 1.00 0.00 C ATOM 64 O ILE A 5 187.045 -9.412 2.840 1.00 0.00 O ATOM 65 CB ILE A 5 185.348 -10.630 5.219 1.00 0.00 C ATOM 66 CG1 ILE A 5 185.645 -11.361 6.538 1.00 0.00 C ATOM 67 CG2 ILE A 5 183.852 -10.621 4.943 1.00 0.00 C ATOM 68 CD1 ILE A 5 186.050 -10.431 7.661 1.00 0.00 C ATOM 0 H ILE A 5 187.793 -11.292 5.279 1.00 0.00 H new ATOM 0 HA ILE A 5 185.570 -12.167 3.716 1.00 0.00 H new ATOM 0 HB ILE A 5 185.697 -9.603 5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 5 184.761 -11.922 6.841 1.00 0.00 H new ATOM 0 HG13 ILE A 5 186.441 -12.087 6.372 1.00 0.00 H new ATOM 0 HG21 ILE A 5 183.329 -10.167 5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 5 183.652 -10.046 4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 5 183.501 -11.644 4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 5 186.245 -11.012 8.562 1.00 0.00 H new ATOM 0 HD12 ILE A 5 186.952 -9.889 7.377 1.00 0.00 H new ATOM 0 HD13 ILE A 5 185.245 -9.721 7.854 1.00 0.00 H new ATOM 80 N LYS A 6 185.213 -10.378 1.962 1.00 0.00 N ATOM 81 CA LYS A 6 185.154 -9.479 0.816 1.00 0.00 C ATOM 82 C LYS A 6 184.307 -8.250 1.130 1.00 0.00 C ATOM 83 O LYS A 6 183.799 -8.102 2.242 1.00 0.00 O ATOM 84 CB LYS A 6 184.584 -10.207 -0.402 1.00 0.00 C ATOM 85 CG LYS A 6 185.554 -11.198 -1.027 1.00 0.00 C ATOM 86 CD LYS A 6 185.606 -11.052 -2.540 1.00 0.00 C ATOM 87 CE LYS A 6 186.680 -10.065 -2.967 1.00 0.00 C ATOM 88 NZ LYS A 6 188.012 -10.717 -3.104 1.00 0.00 N ATOM 0 H LYS A 6 184.475 -11.081 1.985 1.00 0.00 H new ATOM 0 HA LYS A 6 186.169 -9.151 0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 6 183.677 -10.735 -0.108 1.00 0.00 H new ATOM 0 HB3 LYS A 6 184.295 -9.471 -1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 6 186.550 -11.044 -0.612 1.00 0.00 H new ATOM 0 HG3 LYS A 6 185.254 -12.214 -0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 6 185.802 -12.023 -2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 6 184.636 -10.718 -2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 6 186.399 -9.611 -3.917 1.00 0.00 H new ATOM 0 HE3 LYS A 6 186.744 -9.259 -2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 188.716 -10.010 -3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 188.293 -11.128 -2.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 187.958 -11.469 -3.820 1.00 0.00 H new ATOM 102 N LYS A 7 184.160 -7.371 0.145 1.00 0.00 N ATOM 103 CA LYS A 7 183.375 -6.154 0.317 1.00 0.00 C ATOM 104 C LYS A 7 182.556 -5.852 -0.934 1.00 0.00 C ATOM 105 O LYS A 7 182.569 -6.619 -1.897 1.00 0.00 O ATOM 106 CB LYS A 7 184.293 -4.973 0.638 1.00 0.00 C ATOM 107 CG LYS A 7 184.733 -4.921 2.092 1.00 0.00 C ATOM 108 CD LYS A 7 184.747 -3.495 2.624 1.00 0.00 C ATOM 109 CE LYS A 7 186.156 -3.040 2.969 1.00 0.00 C ATOM 110 NZ LYS A 7 186.625 -3.615 4.260 1.00 0.00 N ATOM 0 H LYS A 7 184.574 -7.478 -0.781 1.00 0.00 H new ATOM 0 HA LYS A 7 182.688 -6.309 1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 7 185.176 -5.027 0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 7 183.778 -4.045 0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 7 184.061 -5.529 2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 7 185.728 -5.355 2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 7 184.320 -2.824 1.879 1.00 0.00 H new ATOM 0 HD3 LYS A 7 184.116 -3.431 3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 7 186.838 -3.335 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 7 186.182 -1.952 3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 187.589 -3.281 4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 185.989 -3.313 5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 186.624 -4.653 4.198 1.00 0.00 H new ATOM 124 N LEU A 8 181.844 -4.731 -0.911 1.00 0.00 N ATOM 125 CA LEU A 8 181.017 -4.324 -2.041 1.00 0.00 C ATOM 126 C LEU A 8 181.297 -2.874 -2.425 1.00 0.00 C ATOM 127 O LEU A 8 181.566 -2.034 -1.566 1.00 0.00 O ATOM 128 CB LEU A 8 179.533 -4.500 -1.703 1.00 0.00 C ATOM 129 CG LEU A 8 178.862 -5.713 -2.347 1.00 0.00 C ATOM 130 CD1 LEU A 8 177.530 -6.005 -1.674 1.00 0.00 C ATOM 131 CD2 LEU A 8 178.669 -5.485 -3.838 1.00 0.00 C ATOM 0 H LEU A 8 181.823 -4.087 -0.121 1.00 0.00 H new ATOM 0 HA LEU A 8 181.266 -4.960 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 8 179.429 -4.579 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 8 178.997 -3.602 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 8 179.511 -6.578 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 8 177.066 -6.872 -2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 8 177.694 -6.212 -0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 8 176.873 -5.141 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 8 178.190 -6.358 -4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 8 178.040 -4.608 -3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 8 179.638 -5.325 -4.310 1.00 0.00 H new ATOM 143 N ASP A 9 181.232 -2.589 -3.721 1.00 0.00 N ATOM 144 CA ASP A 9 181.477 -1.241 -4.219 1.00 0.00 C ATOM 145 C ASP A 9 180.250 -0.355 -4.014 1.00 0.00 C ATOM 146 O ASP A 9 179.116 -0.833 -4.054 1.00 0.00 O ATOM 147 CB ASP A 9 181.854 -1.283 -5.702 1.00 0.00 C ATOM 148 CG ASP A 9 183.276 -0.819 -5.951 1.00 0.00 C ATOM 149 OD1 ASP A 9 184.213 -1.510 -5.501 1.00 0.00 O ATOM 150 OD2 ASP A 9 183.451 0.236 -6.596 1.00 0.00 O ATOM 0 H ASP A 9 181.012 -3.273 -4.445 1.00 0.00 H new ATOM 0 HA ASP A 9 182.307 -0.815 -3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 9 181.736 -2.300 -6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 9 181.166 -0.654 -6.267 1.00 0.00 H new ATOM 155 N PRO A 10 180.461 0.953 -3.788 1.00 0.00 N ATOM 156 CA PRO A 10 179.364 1.904 -3.575 1.00 0.00 C ATOM 157 C PRO A 10 178.311 1.831 -4.676 1.00 0.00 C ATOM 158 O PRO A 10 177.122 1.672 -4.401 1.00 0.00 O ATOM 159 CB PRO A 10 180.064 3.265 -3.595 1.00 0.00 C ATOM 160 CG PRO A 10 181.466 2.975 -3.183 1.00 0.00 C ATOM 161 CD PRO A 10 181.781 1.607 -3.723 1.00 0.00 C ATOM 0 HA PRO A 10 178.823 1.701 -2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 10 180.028 3.714 -4.587 1.00 0.00 H new ATOM 0 HB3 PRO A 10 179.587 3.966 -2.910 1.00 0.00 H new ATOM 0 HG2 PRO A 10 182.153 3.721 -3.584 1.00 0.00 H new ATOM 0 HG3 PRO A 10 181.567 2.999 -2.098 1.00 0.00 H new ATOM 0 HD2 PRO A 10 182.251 1.661 -4.705 1.00 0.00 H new ATOM 0 HD3 PRO A 10 182.466 1.065 -3.071 1.00 0.00 H new ATOM 169 N ASP A 11 178.755 1.950 -5.922 1.00 0.00 N ATOM 170 CA ASP A 11 177.850 1.898 -7.064 1.00 0.00 C ATOM 171 C ASP A 11 177.254 0.503 -7.228 1.00 0.00 C ATOM 172 O ASP A 11 176.134 0.350 -7.714 1.00 0.00 O ATOM 173 CB ASP A 11 178.584 2.305 -8.343 1.00 0.00 C ATOM 174 CG ASP A 11 177.678 3.016 -9.329 1.00 0.00 C ATOM 175 OD1 ASP A 11 177.058 4.028 -8.941 1.00 0.00 O ATOM 176 OD2 ASP A 11 177.589 2.560 -10.488 1.00 0.00 O ATOM 0 H ASP A 11 179.736 2.083 -6.167 1.00 0.00 H new ATOM 0 HA ASP A 11 177.037 2.600 -6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 11 179.420 2.956 -8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 11 179.005 1.417 -8.815 1.00 0.00 H new ATOM 181 N THR A 12 178.011 -0.511 -6.820 1.00 0.00 N ATOM 182 CA THR A 12 177.556 -1.893 -6.925 1.00 0.00 C ATOM 183 C THR A 12 176.359 -2.145 -6.013 1.00 0.00 C ATOM 184 O THR A 12 175.301 -2.580 -6.468 1.00 0.00 O ATOM 185 CB THR A 12 178.691 -2.855 -6.575 1.00 0.00 C ATOM 186 OG1 THR A 12 179.819 -2.622 -7.400 1.00 0.00 O ATOM 187 CG2 THR A 12 178.305 -4.311 -6.723 1.00 0.00 C ATOM 0 H THR A 12 178.941 -0.402 -6.414 1.00 0.00 H new ATOM 0 HA THR A 12 177.246 -2.068 -7.955 1.00 0.00 H new ATOM 0 HB THR A 12 178.923 -2.661 -5.528 1.00 0.00 H new ATOM 0 HG1 THR A 12 180.397 -3.414 -7.396 1.00 0.00 H new ATOM 0 HG21 THR A 12 179.154 -4.941 -6.460 1.00 0.00 H new ATOM 0 HG22 THR A 12 177.468 -4.535 -6.061 1.00 0.00 H new ATOM 0 HG23 THR A 12 178.014 -4.507 -7.755 1.00 0.00 H new ATOM 195 N ALA A 13 176.533 -1.871 -4.723 1.00 0.00 N ATOM 196 CA ALA A 13 175.466 -2.069 -3.748 1.00 0.00 C ATOM 197 C ALA A 13 174.215 -1.286 -4.133 1.00 0.00 C ATOM 198 O ALA A 13 173.104 -1.816 -4.101 1.00 0.00 O ATOM 199 CB ALA A 13 175.939 -1.663 -2.361 1.00 0.00 C ATOM 0 H ALA A 13 177.403 -1.511 -4.329 1.00 0.00 H new ATOM 0 HA ALA A 13 175.209 -3.128 -3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 13 175.133 -1.816 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 13 176.798 -2.271 -2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 13 176.225 -0.611 -2.367 1.00 0.00 H new ATOM 205 N ILE A 14 174.403 -0.021 -4.496 1.00 0.00 N ATOM 206 CA ILE A 14 173.290 0.837 -4.888 1.00 0.00 C ATOM 207 C ILE A 14 172.494 0.214 -6.033 1.00 0.00 C ATOM 208 O ILE A 14 171.263 0.230 -6.027 1.00 0.00 O ATOM 209 CB ILE A 14 173.786 2.237 -5.312 1.00 0.00 C ATOM 210 CG1 ILE A 14 174.483 2.928 -4.140 1.00 0.00 C ATOM 211 CG2 ILE A 14 172.630 3.087 -5.822 1.00 0.00 C ATOM 212 CD1 ILE A 14 175.371 4.080 -4.558 1.00 0.00 C ATOM 0 H ILE A 14 175.316 0.433 -4.527 1.00 0.00 H new ATOM 0 HA ILE A 14 172.642 0.940 -4.018 1.00 0.00 H new ATOM 0 HB ILE A 14 174.504 2.118 -6.124 1.00 0.00 H new ATOM 0 HG12 ILE A 14 173.728 3.295 -3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 14 175.083 2.195 -3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 14 173.002 4.069 -6.115 1.00 0.00 H new ATOM 0 HG22 ILE A 14 172.173 2.600 -6.683 1.00 0.00 H new ATOM 0 HG23 ILE A 14 171.887 3.201 -5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 14 175.833 4.522 -3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 14 176.148 3.715 -5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 14 174.773 4.833 -5.071 1.00 0.00 H new ATOM 224 N ASP A 15 173.206 -0.335 -7.010 1.00 0.00 N ATOM 225 CA ASP A 15 172.569 -0.967 -8.160 1.00 0.00 C ATOM 226 C ASP A 15 171.661 -2.111 -7.717 1.00 0.00 C ATOM 227 O ASP A 15 170.484 -2.160 -8.077 1.00 0.00 O ATOM 228 CB ASP A 15 173.628 -1.490 -9.133 1.00 0.00 C ATOM 229 CG ASP A 15 173.207 -1.340 -10.583 1.00 0.00 C ATOM 230 OD1 ASP A 15 172.648 -0.279 -10.932 1.00 0.00 O ATOM 231 OD2 ASP A 15 173.437 -2.283 -11.368 1.00 0.00 O ATOM 0 H ASP A 15 174.226 -0.355 -7.029 1.00 0.00 H new ATOM 0 HA ASP A 15 171.960 -0.217 -8.665 1.00 0.00 H new ATOM 0 HB2 ASP A 15 174.563 -0.953 -8.972 1.00 0.00 H new ATOM 0 HB3 ASP A 15 173.824 -2.541 -8.921 1.00 0.00 H new ATOM 236 N ILE A 16 172.217 -3.028 -6.932 1.00 0.00 N ATOM 237 CA ILE A 16 171.462 -4.172 -6.437 1.00 0.00 C ATOM 238 C ILE A 16 170.276 -3.722 -5.590 1.00 0.00 C ATOM 239 O ILE A 16 169.125 -4.024 -5.907 1.00 0.00 O ATOM 240 CB ILE A 16 172.350 -5.113 -5.599 1.00 0.00 C ATOM 241 CG1 ILE A 16 173.632 -5.456 -6.362 1.00 0.00 C ATOM 242 CG2 ILE A 16 171.589 -6.379 -5.238 1.00 0.00 C ATOM 243 CD1 ILE A 16 174.886 -5.320 -5.526 1.00 0.00 C ATOM 0 H ILE A 16 173.189 -3.000 -6.625 1.00 0.00 H new ATOM 0 HA ILE A 16 171.098 -4.712 -7.311 1.00 0.00 H new ATOM 0 HB ILE A 16 172.624 -4.601 -4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 16 173.562 -6.478 -6.734 1.00 0.00 H new ATOM 0 HG13 ILE A 16 173.713 -4.805 -7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 16 172.230 -7.033 -4.646 1.00 0.00 H new ATOM 0 HG22 ILE A 16 170.703 -6.118 -4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 16 171.288 -6.895 -6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 16 175.756 -5.578 -6.130 1.00 0.00 H new ATOM 0 HD12 ILE A 16 174.980 -4.292 -5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 16 174.827 -5.991 -4.669 1.00 0.00 H new ATOM 255 N ALA A 17 170.563 -3.000 -4.510 1.00 0.00 N ATOM 256 CA ALA A 17 169.520 -2.509 -3.615 1.00 0.00 C ATOM 257 C ALA A 17 168.400 -1.824 -4.393 1.00 0.00 C ATOM 258 O ALA A 17 167.231 -1.905 -4.018 1.00 0.00 O ATOM 259 CB ALA A 17 170.112 -1.554 -2.589 1.00 0.00 C ATOM 0 H ALA A 17 171.510 -2.742 -4.234 1.00 0.00 H new ATOM 0 HA ALA A 17 169.092 -3.366 -3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 17 169.323 -1.195 -1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 17 170.869 -2.074 -2.002 1.00 0.00 H new ATOM 0 HB3 ALA A 17 170.569 -0.707 -3.101 1.00 0.00 H new ATOM 265 N TYR A 18 168.767 -1.152 -5.480 1.00 0.00 N ATOM 266 CA TYR A 18 167.791 -0.458 -6.311 1.00 0.00 C ATOM 267 C TYR A 18 166.792 -1.444 -6.907 1.00 0.00 C ATOM 268 O TYR A 18 165.581 -1.283 -6.757 1.00 0.00 O ATOM 269 CB TYR A 18 168.496 0.313 -7.429 1.00 0.00 C ATOM 270 CG TYR A 18 167.614 1.338 -8.106 1.00 0.00 C ATOM 271 CD1 TYR A 18 167.466 2.613 -7.574 1.00 0.00 C ATOM 272 CD2 TYR A 18 166.931 1.031 -9.276 1.00 0.00 C ATOM 273 CE1 TYR A 18 166.660 3.552 -8.189 1.00 0.00 C ATOM 274 CE2 TYR A 18 166.124 1.965 -9.897 1.00 0.00 C ATOM 275 CZ TYR A 18 165.992 3.224 -9.350 1.00 0.00 C ATOM 276 OH TYR A 18 165.190 4.157 -9.965 1.00 0.00 O ATOM 0 H TYR A 18 169.731 -1.074 -5.805 1.00 0.00 H new ATOM 0 HA TYR A 18 167.249 0.248 -5.682 1.00 0.00 H new ATOM 0 HB2 TYR A 18 169.372 0.815 -7.017 1.00 0.00 H new ATOM 0 HB3 TYR A 18 168.856 -0.394 -8.176 1.00 0.00 H new ATOM 0 HD1 TYR A 18 167.989 2.874 -6.666 1.00 0.00 H new ATOM 0 HD2 TYR A 18 167.032 0.046 -9.707 1.00 0.00 H new ATOM 0 HE1 TYR A 18 166.554 4.538 -7.762 1.00 0.00 H new ATOM 0 HE2 TYR A 18 165.599 1.710 -10.806 1.00 0.00 H new ATOM 0 HH TYR A 18 164.793 3.767 -10.772 1.00 0.00 H new ATOM 286 N ASP A 19 167.309 -2.467 -7.583 1.00 0.00 N ATOM 287 CA ASP A 19 166.462 -3.483 -8.202 1.00 0.00 C ATOM 288 C ASP A 19 165.495 -4.082 -7.183 1.00 0.00 C ATOM 289 O ASP A 19 164.378 -4.473 -7.525 1.00 0.00 O ATOM 290 CB ASP A 19 167.323 -4.588 -8.818 1.00 0.00 C ATOM 291 CG ASP A 19 166.852 -4.982 -10.204 1.00 0.00 C ATOM 292 OD1 ASP A 19 166.327 -4.106 -10.924 1.00 0.00 O ATOM 293 OD2 ASP A 19 167.008 -6.166 -10.569 1.00 0.00 O ATOM 0 H ASP A 19 168.310 -2.614 -7.716 1.00 0.00 H new ATOM 0 HA ASP A 19 165.880 -3.004 -8.989 1.00 0.00 H new ATOM 0 HB2 ASP A 19 168.358 -4.251 -8.871 1.00 0.00 H new ATOM 0 HB3 ASP A 19 167.305 -5.463 -8.169 1.00 0.00 H new ATOM 298 N ILE A 20 165.931 -4.145 -5.929 1.00 0.00 N ATOM 299 CA ILE A 20 165.107 -4.690 -4.857 1.00 0.00 C ATOM 300 C ILE A 20 163.922 -3.775 -4.567 1.00 0.00 C ATOM 301 O ILE A 20 162.781 -4.108 -4.887 1.00 0.00 O ATOM 302 CB ILE A 20 165.933 -4.894 -3.569 1.00 0.00 C ATOM 303 CG1 ILE A 20 167.185 -5.724 -3.867 1.00 0.00 C ATOM 304 CG2 ILE A 20 165.094 -5.566 -2.495 1.00 0.00 C ATOM 305 CD1 ILE A 20 168.137 -5.826 -2.693 1.00 0.00 C ATOM 0 H ILE A 20 166.852 -3.825 -5.630 1.00 0.00 H new ATOM 0 HA ILE A 20 164.735 -5.659 -5.190 1.00 0.00 H new ATOM 0 HB ILE A 20 166.242 -3.916 -3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 20 166.883 -6.727 -4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 20 167.711 -5.282 -4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 20 165.695 -5.701 -1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 20 164.230 -4.942 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 20 164.754 -6.538 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 20 169.001 -6.428 -2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 20 168.469 -4.828 -2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 20 167.628 -6.296 -1.851 1.00 0.00 H new ATOM 317 N PHE A 21 164.197 -2.624 -3.957 1.00 0.00 N ATOM 318 CA PHE A 21 163.157 -1.651 -3.617 1.00 0.00 C ATOM 319 C PHE A 21 162.120 -1.515 -4.733 1.00 0.00 C ATOM 320 O PHE A 21 160.958 -1.211 -4.478 1.00 0.00 O ATOM 321 CB PHE A 21 163.798 -0.290 -3.339 1.00 0.00 C ATOM 322 CG PHE A 21 162.809 0.811 -3.074 1.00 0.00 C ATOM 323 CD1 PHE A 21 161.901 0.714 -2.031 1.00 0.00 C ATOM 324 CD2 PHE A 21 162.792 1.947 -3.868 1.00 0.00 C ATOM 325 CE1 PHE A 21 160.994 1.729 -1.788 1.00 0.00 C ATOM 326 CE2 PHE A 21 161.889 2.963 -3.628 1.00 0.00 C ATOM 327 CZ PHE A 21 160.989 2.855 -2.587 1.00 0.00 C ATOM 0 H PHE A 21 165.138 -2.340 -3.686 1.00 0.00 H new ATOM 0 HA PHE A 21 162.642 -2.010 -2.726 1.00 0.00 H new ATOM 0 HB2 PHE A 21 164.462 -0.382 -2.480 1.00 0.00 H new ATOM 0 HB3 PHE A 21 164.417 -0.011 -4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 21 161.902 -0.164 -1.402 1.00 0.00 H new ATOM 0 HD2 PHE A 21 163.494 2.038 -4.684 1.00 0.00 H new ATOM 0 HE1 PHE A 21 160.290 1.641 -0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 21 161.887 3.843 -4.255 1.00 0.00 H new ATOM 0 HZ PHE A 21 160.282 3.650 -2.398 1.00 0.00 H new ATOM 337 N LEU A 22 162.550 -1.729 -5.968 1.00 0.00 N ATOM 338 CA LEU A 22 161.662 -1.616 -7.118 1.00 0.00 C ATOM 339 C LEU A 22 160.727 -2.819 -7.235 1.00 0.00 C ATOM 340 O LEU A 22 159.563 -2.677 -7.607 1.00 0.00 O ATOM 341 CB LEU A 22 162.492 -1.491 -8.398 1.00 0.00 C ATOM 342 CG LEU A 22 162.207 -0.255 -9.252 1.00 0.00 C ATOM 343 CD1 LEU A 22 162.205 1.003 -8.396 1.00 0.00 C ATOM 344 CD2 LEU A 22 163.238 -0.148 -10.363 1.00 0.00 C ATOM 0 H LEU A 22 163.510 -1.982 -6.201 1.00 0.00 H new ATOM 0 HA LEU A 22 161.049 -0.726 -6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 22 163.548 -1.487 -8.126 1.00 0.00 H new ATOM 0 HB3 LEU A 22 162.323 -2.379 -9.008 1.00 0.00 H new ATOM 0 HG LEU A 22 161.218 -0.357 -9.699 1.00 0.00 H new ATOM 0 HD11 LEU A 22 162.000 1.870 -9.024 1.00 0.00 H new ATOM 0 HD12 LEU A 22 161.435 0.920 -7.629 1.00 0.00 H new ATOM 0 HD13 LEU A 22 163.179 1.121 -7.921 1.00 0.00 H new ATOM 0 HD21 LEU A 22 163.030 0.734 -10.968 1.00 0.00 H new ATOM 0 HD22 LEU A 22 164.234 -0.063 -9.928 1.00 0.00 H new ATOM 0 HD23 LEU A 22 163.190 -1.038 -10.990 1.00 0.00 H new ATOM 356 N GLU A 23 161.254 -4.004 -6.950 1.00 0.00 N ATOM 357 CA GLU A 23 160.474 -5.235 -7.060 1.00 0.00 C ATOM 358 C GLU A 23 159.792 -5.633 -5.744 1.00 0.00 C ATOM 359 O GLU A 23 158.699 -6.200 -5.762 1.00 0.00 O ATOM 360 CB GLU A 23 161.381 -6.371 -7.560 1.00 0.00 C ATOM 361 CG GLU A 23 161.118 -7.722 -6.909 1.00 0.00 C ATOM 362 CD GLU A 23 161.780 -8.867 -7.652 1.00 0.00 C ATOM 363 OE1 GLU A 23 162.959 -8.721 -8.038 1.00 0.00 O ATOM 364 OE2 GLU A 23 161.120 -9.909 -7.847 1.00 0.00 O ATOM 0 H GLU A 23 162.217 -4.140 -6.641 1.00 0.00 H new ATOM 0 HA GLU A 23 159.673 -5.051 -7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 23 161.256 -6.471 -8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 23 162.420 -6.093 -7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 23 161.481 -7.703 -5.881 1.00 0.00 H new ATOM 0 HG3 GLU A 23 160.043 -7.896 -6.864 1.00 0.00 H new ATOM 371 N MET A 24 160.436 -5.370 -4.610 1.00 0.00 N ATOM 372 CA MET A 24 159.866 -5.748 -3.319 1.00 0.00 C ATOM 373 C MET A 24 158.886 -4.704 -2.788 1.00 0.00 C ATOM 374 O MET A 24 157.885 -5.052 -2.163 1.00 0.00 O ATOM 375 CB MET A 24 160.975 -5.991 -2.296 1.00 0.00 C ATOM 376 CG MET A 24 161.897 -4.801 -2.097 1.00 0.00 C ATOM 377 SD MET A 24 162.497 -4.656 -0.401 1.00 0.00 S ATOM 378 CE MET A 24 162.654 -6.376 0.071 1.00 0.00 C ATOM 0 H MET A 24 161.341 -4.903 -4.557 1.00 0.00 H new ATOM 0 HA MET A 24 159.307 -6.671 -3.476 1.00 0.00 H new ATOM 0 HB2 MET A 24 160.523 -6.252 -1.339 1.00 0.00 H new ATOM 0 HB3 MET A 24 161.568 -6.849 -2.614 1.00 0.00 H new ATOM 0 HG2 MET A 24 162.748 -4.890 -2.772 1.00 0.00 H new ATOM 0 HG3 MET A 24 161.368 -3.888 -2.370 1.00 0.00 H new ATOM 0 HE1 MET A 24 163.368 -6.465 0.889 1.00 0.00 H new ATOM 0 HE2 MET A 24 161.684 -6.755 0.393 1.00 0.00 H new ATOM 0 HE3 MET A 24 163.005 -6.957 -0.782 1.00 0.00 H new ATOM 388 N ALA A 25 159.169 -3.430 -3.030 1.00 0.00 N ATOM 389 CA ALA A 25 158.290 -2.363 -2.556 1.00 0.00 C ATOM 390 C ALA A 25 156.906 -2.467 -3.190 1.00 0.00 C ATOM 391 O ALA A 25 156.778 -2.587 -4.408 1.00 0.00 O ATOM 392 CB ALA A 25 158.898 -0.999 -2.840 1.00 0.00 C ATOM 0 H ALA A 25 159.989 -3.111 -3.545 1.00 0.00 H new ATOM 0 HA ALA A 25 158.180 -2.478 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 25 158.227 -0.219 -2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 25 159.858 -0.916 -2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 25 159.045 -0.883 -3.914 1.00 0.00 H new ATOM 398 N GLY A 26 155.871 -2.420 -2.355 1.00 0.00 N ATOM 399 CA GLY A 26 154.509 -2.509 -2.852 1.00 0.00 C ATOM 400 C GLY A 26 153.762 -3.708 -2.297 1.00 0.00 C ATOM 401 O GLY A 26 153.084 -4.422 -3.036 1.00 0.00 O ATOM 0 H GLY A 26 155.952 -2.322 -1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 26 153.971 -1.598 -2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 26 154.526 -2.568 -3.940 1.00 0.00 H new ATOM 405 N GLU A 27 153.893 -3.932 -0.994 1.00 0.00 N ATOM 406 CA GLU A 27 153.228 -5.061 -0.343 1.00 0.00 C ATOM 407 C GLU A 27 153.445 -5.061 1.173 1.00 0.00 C ATOM 408 O GLU A 27 152.635 -5.612 1.919 1.00 0.00 O ATOM 409 CB GLU A 27 153.729 -6.379 -0.935 1.00 0.00 C ATOM 410 CG GLU A 27 155.205 -6.637 -0.684 1.00 0.00 C ATOM 411 CD GLU A 27 155.703 -7.895 -1.368 1.00 0.00 C ATOM 412 OE1 GLU A 27 154.998 -8.924 -1.302 1.00 0.00 O ATOM 413 OE2 GLU A 27 156.796 -7.851 -1.970 1.00 0.00 O ATOM 0 H GLU A 27 154.450 -3.351 -0.368 1.00 0.00 H new ATOM 0 HA GLU A 27 152.159 -4.957 -0.526 1.00 0.00 H new ATOM 0 HB2 GLU A 27 153.149 -7.200 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 27 153.547 -6.377 -2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 27 155.784 -5.783 -1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 27 155.378 -6.719 0.389 1.00 0.00 H new ATOM 420 N ASN A 28 154.532 -4.442 1.627 1.00 0.00 N ATOM 421 CA ASN A 28 154.833 -4.378 3.053 1.00 0.00 C ATOM 422 C ASN A 28 154.921 -2.928 3.527 1.00 0.00 C ATOM 423 O ASN A 28 154.537 -2.608 4.651 1.00 0.00 O ATOM 424 CB ASN A 28 156.145 -5.107 3.351 1.00 0.00 C ATOM 425 CG ASN A 28 156.042 -6.006 4.568 1.00 0.00 C ATOM 426 OD1 ASN A 28 155.913 -5.531 5.696 1.00 0.00 O ATOM 427 ND2 ASN A 28 156.099 -7.314 4.343 1.00 0.00 N ATOM 0 H ASN A 28 155.217 -3.979 1.029 1.00 0.00 H new ATOM 0 HA ASN A 28 154.023 -4.868 3.593 1.00 0.00 H new ATOM 0 HB2 ASN A 28 156.431 -5.704 2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 28 156.937 -4.375 3.509 1.00 0.00 H new ATOM 0 HD21 ASN A 28 156.035 -7.969 5.122 1.00 0.00 H new ATOM 0 HD22 ASN A 28 156.207 -7.663 3.391 1.00 0.00 H new ATOM 434 N LEU A 29 155.432 -2.058 2.661 1.00 0.00 N ATOM 435 CA LEU A 29 155.575 -0.643 2.985 1.00 0.00 C ATOM 436 C LEU A 29 154.209 0.010 3.195 1.00 0.00 C ATOM 437 O LEU A 29 153.251 -0.278 2.477 1.00 0.00 O ATOM 438 CB LEU A 29 156.352 0.066 1.872 1.00 0.00 C ATOM 439 CG LEU A 29 156.447 1.590 1.996 1.00 0.00 C ATOM 440 CD1 LEU A 29 157.866 2.072 1.736 1.00 0.00 C ATOM 441 CD2 LEU A 29 155.484 2.259 1.028 1.00 0.00 C ATOM 0 H LEU A 29 155.755 -2.310 1.727 1.00 0.00 H new ATOM 0 HA LEU A 29 156.132 -0.551 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 29 157.363 -0.342 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 29 155.884 -0.174 0.917 1.00 0.00 H new ATOM 0 HG LEU A 29 156.174 1.863 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 29 157.905 3.157 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 29 158.542 1.620 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 29 158.169 1.784 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 29 155.562 3.342 1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 29 155.734 1.969 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 29 154.465 1.947 1.255 1.00 0.00 H new ATOM 453 N ASP A 30 154.129 0.881 4.200 1.00 0.00 N ATOM 454 CA ASP A 30 152.884 1.576 4.540 1.00 0.00 C ATOM 455 C ASP A 30 152.163 2.104 3.295 1.00 0.00 C ATOM 456 O ASP A 30 152.792 2.622 2.378 1.00 0.00 O ATOM 457 CB ASP A 30 153.174 2.731 5.501 1.00 0.00 C ATOM 458 CG ASP A 30 152.992 2.334 6.952 1.00 0.00 C ATOM 459 OD1 ASP A 30 153.414 1.217 7.320 1.00 0.00 O ATOM 460 OD2 ASP A 30 152.428 3.140 7.722 1.00 0.00 O ATOM 0 H ASP A 30 154.918 1.125 4.799 1.00 0.00 H new ATOM 0 HA ASP A 30 152.226 0.853 5.022 1.00 0.00 H new ATOM 0 HB2 ASP A 30 154.195 3.080 5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 30 152.514 3.567 5.270 1.00 0.00 H new ATOM 465 N PRO A 31 150.823 1.983 3.253 1.00 0.00 N ATOM 466 CA PRO A 31 150.015 2.448 2.121 1.00 0.00 C ATOM 467 C PRO A 31 150.395 3.853 1.659 1.00 0.00 C ATOM 468 O PRO A 31 150.649 4.078 0.477 1.00 0.00 O ATOM 469 CB PRO A 31 148.574 2.430 2.661 1.00 0.00 C ATOM 470 CG PRO A 31 148.684 2.118 4.120 1.00 0.00 C ATOM 471 CD PRO A 31 149.983 1.391 4.299 1.00 0.00 C ATOM 0 HA PRO A 31 150.161 1.816 1.245 1.00 0.00 H new ATOM 0 HB2 PRO A 31 148.086 3.392 2.503 1.00 0.00 H new ATOM 0 HB3 PRO A 31 147.974 1.680 2.146 1.00 0.00 H new ATOM 0 HG2 PRO A 31 148.664 3.031 4.715 1.00 0.00 H new ATOM 0 HG3 PRO A 31 147.846 1.504 4.450 1.00 0.00 H new ATOM 0 HD2 PRO A 31 150.402 1.547 5.293 1.00 0.00 H new ATOM 0 HD3 PRO A 31 149.868 0.315 4.167 1.00 0.00 H new ATOM 479 N ALA A 32 150.423 4.799 2.591 1.00 0.00 N ATOM 480 CA ALA A 32 150.764 6.182 2.267 1.00 0.00 C ATOM 481 C ALA A 32 152.096 6.270 1.523 1.00 0.00 C ATOM 482 O ALA A 32 152.168 6.805 0.414 1.00 0.00 O ATOM 483 CB ALA A 32 150.810 7.023 3.534 1.00 0.00 C ATOM 0 H ALA A 32 150.214 4.635 3.576 1.00 0.00 H new ATOM 0 HA ALA A 32 149.988 6.572 1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 32 151.065 8.052 3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 32 149.835 7.001 4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 32 151.563 6.620 4.211 1.00 0.00 H new ATOM 489 N ASP A 33 153.150 5.751 2.145 1.00 0.00 N ATOM 490 CA ASP A 33 154.481 5.778 1.549 1.00 0.00 C ATOM 491 C ASP A 33 154.474 5.166 0.149 1.00 0.00 C ATOM 492 O ASP A 33 155.278 5.544 -0.703 1.00 0.00 O ATOM 493 CB ASP A 33 155.484 5.052 2.449 1.00 0.00 C ATOM 494 CG ASP A 33 155.732 5.800 3.744 1.00 0.00 C ATOM 495 OD1 ASP A 33 154.816 6.513 4.202 1.00 0.00 O ATOM 496 OD2 ASP A 33 156.842 5.673 4.299 1.00 0.00 O ATOM 0 H ASP A 33 153.108 5.306 3.062 1.00 0.00 H new ATOM 0 HA ASP A 33 154.786 6.820 1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 33 155.112 4.052 2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 33 156.427 4.929 1.916 1.00 0.00 H new ATOM 501 N ILE A 34 153.554 4.235 -0.093 1.00 0.00 N ATOM 502 CA ILE A 34 153.448 3.602 -1.404 1.00 0.00 C ATOM 503 C ILE A 34 153.020 4.630 -2.447 1.00 0.00 C ATOM 504 O ILE A 34 153.594 4.708 -3.533 1.00 0.00 O ATOM 505 CB ILE A 34 152.438 2.430 -1.401 1.00 0.00 C ATOM 506 CG1 ILE A 34 152.953 1.281 -0.535 1.00 0.00 C ATOM 507 CG2 ILE A 34 152.170 1.943 -2.819 1.00 0.00 C ATOM 508 CD1 ILE A 34 151.983 0.125 -0.427 1.00 0.00 C ATOM 0 H ILE A 34 152.877 3.905 0.595 1.00 0.00 H new ATOM 0 HA ILE A 34 154.431 3.202 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 34 151.500 2.792 -0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 34 153.894 0.918 -0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 34 153.169 1.658 0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 34 151.457 1.119 -2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 34 151.758 2.759 -3.412 1.00 0.00 H new ATOM 0 HG23 ILE A 34 153.102 1.602 -3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 34 152.414 -0.654 0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 34 151.050 0.473 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 34 151.786 -0.278 -1.420 1.00 0.00 H new ATOM 520 N LEU A 35 152.008 5.417 -2.100 1.00 0.00 N ATOM 521 CA LEU A 35 151.492 6.448 -2.992 1.00 0.00 C ATOM 522 C LEU A 35 152.597 7.415 -3.409 1.00 0.00 C ATOM 523 O LEU A 35 152.831 7.629 -4.598 1.00 0.00 O ATOM 524 CB LEU A 35 150.358 7.215 -2.310 1.00 0.00 C ATOM 525 CG LEU A 35 149.770 8.366 -3.131 1.00 0.00 C ATOM 526 CD1 LEU A 35 148.379 8.011 -3.634 1.00 0.00 C ATOM 527 CD2 LEU A 35 149.731 9.645 -2.306 1.00 0.00 C ATOM 0 H LEU A 35 151.527 5.360 -1.203 1.00 0.00 H new ATOM 0 HA LEU A 35 151.108 5.960 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 35 149.558 6.514 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 35 150.726 7.614 -1.365 1.00 0.00 H new ATOM 0 HG LEU A 35 150.413 8.534 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 35 147.979 8.842 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 35 148.435 7.123 -4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 35 147.724 7.814 -2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 35 149.310 10.452 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 35 149.112 9.489 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 35 150.742 9.911 -1.999 1.00 0.00 H new ATOM 539 N LEU A 36 153.277 7.995 -2.423 1.00 0.00 N ATOM 540 CA LEU A 36 154.360 8.937 -2.694 1.00 0.00 C ATOM 541 C LEU A 36 155.458 8.277 -3.525 1.00 0.00 C ATOM 542 O LEU A 36 155.764 8.716 -4.633 1.00 0.00 O ATOM 543 CB LEU A 36 154.943 9.464 -1.381 1.00 0.00 C ATOM 544 CG LEU A 36 154.050 10.454 -0.629 1.00 0.00 C ATOM 545 CD1 LEU A 36 154.096 10.188 0.868 1.00 0.00 C ATOM 546 CD2 LEU A 36 154.470 11.885 -0.930 1.00 0.00 C ATOM 0 H LEU A 36 153.098 7.830 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 36 153.951 9.772 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 36 155.152 8.617 -0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 36 155.897 9.946 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 36 153.024 10.317 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 36 153.455 10.902 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 36 153.746 9.175 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 36 155.120 10.296 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 36 153.825 12.575 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 36 155.504 12.034 -0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 36 154.383 12.072 -2.000 1.00 0.00 H new ATOM 558 N PHE A 37 156.040 7.214 -2.978 1.00 0.00 N ATOM 559 CA PHE A 37 157.101 6.476 -3.660 1.00 0.00 C ATOM 560 C PHE A 37 156.719 6.184 -5.114 1.00 0.00 C ATOM 561 O PHE A 37 157.581 6.098 -5.987 1.00 0.00 O ATOM 562 CB PHE A 37 157.398 5.167 -2.910 1.00 0.00 C ATOM 563 CG PHE A 37 158.019 4.090 -3.762 1.00 0.00 C ATOM 564 CD1 PHE A 37 159.057 4.385 -4.630 1.00 0.00 C ATOM 565 CD2 PHE A 37 157.558 2.784 -3.695 1.00 0.00 C ATOM 566 CE1 PHE A 37 159.624 3.399 -5.416 1.00 0.00 C ATOM 567 CE2 PHE A 37 158.122 1.794 -4.477 1.00 0.00 C ATOM 568 CZ PHE A 37 159.156 2.103 -5.339 1.00 0.00 C ATOM 0 H PHE A 37 155.794 6.842 -2.061 1.00 0.00 H new ATOM 0 HA PHE A 37 158.000 7.093 -3.666 1.00 0.00 H new ATOM 0 HB2 PHE A 37 158.065 5.384 -2.076 1.00 0.00 H new ATOM 0 HB3 PHE A 37 156.469 4.787 -2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 37 159.428 5.397 -4.694 1.00 0.00 H new ATOM 0 HD2 PHE A 37 156.749 2.538 -3.024 1.00 0.00 H new ATOM 0 HE1 PHE A 37 160.432 3.643 -6.090 1.00 0.00 H new ATOM 0 HE2 PHE A 37 157.755 0.780 -4.414 1.00 0.00 H new ATOM 0 HZ PHE A 37 159.598 1.331 -5.952 1.00 0.00 H new ATOM 578 N ASN A 38 155.425 6.027 -5.366 1.00 0.00 N ATOM 579 CA ASN A 38 154.943 5.738 -6.712 1.00 0.00 C ATOM 580 C ASN A 38 154.872 7.003 -7.562 1.00 0.00 C ATOM 581 O ASN A 38 155.283 7.007 -8.722 1.00 0.00 O ATOM 582 CB ASN A 38 153.564 5.078 -6.648 1.00 0.00 C ATOM 583 CG ASN A 38 153.647 3.595 -6.345 1.00 0.00 C ATOM 584 OD1 ASN A 38 154.451 3.161 -5.520 1.00 0.00 O ATOM 585 ND2 ASN A 38 152.812 2.807 -7.013 1.00 0.00 N ATOM 0 H ASN A 38 154.693 6.095 -4.659 1.00 0.00 H new ATOM 0 HA ASN A 38 155.651 5.054 -7.180 1.00 0.00 H new ATOM 0 HB2 ASN A 38 152.964 5.570 -5.882 1.00 0.00 H new ATOM 0 HB3 ASN A 38 153.050 5.224 -7.598 1.00 0.00 H new ATOM 0 HD21 ASN A 38 152.821 1.800 -6.851 1.00 0.00 H new ATOM 0 HD22 ASN A 38 152.162 3.209 -7.688 1.00 0.00 H new ATOM 592 N LEU A 39 154.332 8.068 -6.983 1.00 0.00 N ATOM 593 CA LEU A 39 154.187 9.334 -7.690 1.00 0.00 C ATOM 594 C LEU A 39 155.515 10.082 -7.803 1.00 0.00 C ATOM 595 O LEU A 39 156.153 10.076 -8.855 1.00 0.00 O ATOM 596 CB LEU A 39 153.157 10.212 -6.975 1.00 0.00 C ATOM 597 CG LEU A 39 151.692 9.772 -7.112 1.00 0.00 C ATOM 598 CD1 LEU A 39 151.582 8.291 -7.452 1.00 0.00 C ATOM 599 CD2 LEU A 39 150.932 10.079 -5.832 1.00 0.00 C ATOM 0 H LEU A 39 153.986 8.080 -6.023 1.00 0.00 H new ATOM 0 HA LEU A 39 153.847 9.110 -8.701 1.00 0.00 H new ATOM 0 HB2 LEU A 39 153.409 10.245 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 39 153.248 11.229 -7.356 1.00 0.00 H new ATOM 0 HG LEU A 39 151.249 10.334 -7.934 1.00 0.00 H new ATOM 0 HD11 LEU A 39 150.531 8.015 -7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 39 152.090 8.096 -8.397 1.00 0.00 H new ATOM 0 HD13 LEU A 39 152.046 7.701 -6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 39 149.894 9.763 -5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 39 151.389 9.544 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 39 150.966 11.151 -5.637 1.00 0.00 H new ATOM 611 N GLN A 40 155.913 10.746 -6.721 1.00 0.00 N ATOM 612 CA GLN A 40 157.150 11.521 -6.710 1.00 0.00 C ATOM 613 C GLN A 40 158.378 10.643 -6.484 1.00 0.00 C ATOM 614 O GLN A 40 158.867 10.513 -5.361 1.00 0.00 O ATOM 615 CB GLN A 40 157.085 12.620 -5.645 1.00 0.00 C ATOM 616 CG GLN A 40 156.769 12.113 -4.246 1.00 0.00 C ATOM 617 CD GLN A 40 156.468 13.240 -3.273 1.00 0.00 C ATOM 618 OE1 GLN A 40 155.333 13.705 -3.181 1.00 0.00 O ATOM 619 NE2 GLN A 40 157.485 13.690 -2.542 1.00 0.00 N ATOM 0 H GLN A 40 155.397 10.763 -5.841 1.00 0.00 H new ATOM 0 HA GLN A 40 157.250 11.979 -7.694 1.00 0.00 H new ATOM 0 HB2 GLN A 40 158.040 13.145 -5.622 1.00 0.00 H new ATOM 0 HB3 GLN A 40 156.327 13.348 -5.936 1.00 0.00 H new ATOM 0 HG2 GLN A 40 155.914 11.439 -4.292 1.00 0.00 H new ATOM 0 HG3 GLN A 40 157.613 11.532 -3.874 1.00 0.00 H new ATOM 0 HE21 GLN A 40 158.412 13.277 -2.648 1.00 0.00 H new ATOM 0 HE22 GLN A 40 157.338 14.448 -1.875 1.00 0.00 H new ATOM 628 N PHE A 41 158.884 10.064 -7.567 1.00 0.00 N ATOM 629 CA PHE A 41 160.073 9.217 -7.505 1.00 0.00 C ATOM 630 C PHE A 41 161.058 9.587 -8.614 1.00 0.00 C ATOM 631 O PHE A 41 162.271 9.450 -8.454 1.00 0.00 O ATOM 632 CB PHE A 41 159.703 7.740 -7.618 1.00 0.00 C ATOM 633 CG PHE A 41 160.788 6.830 -7.116 1.00 0.00 C ATOM 634 CD1 PHE A 41 161.140 6.832 -5.776 1.00 0.00 C ATOM 635 CD2 PHE A 41 161.463 5.985 -7.982 1.00 0.00 C ATOM 636 CE1 PHE A 41 162.146 6.009 -5.308 1.00 0.00 C ATOM 637 CE2 PHE A 41 162.470 5.157 -7.519 1.00 0.00 C ATOM 638 CZ PHE A 41 162.812 5.169 -6.180 1.00 0.00 C ATOM 0 H PHE A 41 158.489 10.165 -8.502 1.00 0.00 H new ATOM 0 HA PHE A 41 160.546 9.384 -6.537 1.00 0.00 H new ATOM 0 HB2 PHE A 41 158.789 7.555 -7.054 1.00 0.00 H new ATOM 0 HB3 PHE A 41 159.488 7.502 -8.660 1.00 0.00 H new ATOM 0 HD1 PHE A 41 160.622 7.485 -5.089 1.00 0.00 H new ATOM 0 HD2 PHE A 41 161.200 5.973 -9.029 1.00 0.00 H new ATOM 0 HE1 PHE A 41 162.412 6.022 -4.261 1.00 0.00 H new ATOM 0 HE2 PHE A 41 162.988 4.502 -8.203 1.00 0.00 H new ATOM 0 HZ PHE A 41 163.598 4.524 -5.816 1.00 0.00 H new ATOM 648 N GLU A 42 160.526 10.055 -9.739 1.00 0.00 N ATOM 649 CA GLU A 42 161.352 10.446 -10.879 1.00 0.00 C ATOM 650 C GLU A 42 162.521 11.330 -10.444 1.00 0.00 C ATOM 651 O GLU A 42 163.680 10.927 -10.533 1.00 0.00 O ATOM 652 CB GLU A 42 160.504 11.181 -11.919 1.00 0.00 C ATOM 653 CG GLU A 42 161.206 11.367 -13.255 1.00 0.00 C ATOM 654 CD GLU A 42 160.323 11.005 -14.434 1.00 0.00 C ATOM 655 OE1 GLU A 42 159.154 11.444 -14.457 1.00 0.00 O ATOM 656 OE2 GLU A 42 160.801 10.283 -15.334 1.00 0.00 O ATOM 0 H GLU A 42 159.524 10.173 -9.887 1.00 0.00 H new ATOM 0 HA GLU A 42 161.760 9.537 -11.321 1.00 0.00 H new ATOM 0 HB2 GLU A 42 159.579 10.627 -12.078 1.00 0.00 H new ATOM 0 HB3 GLU A 42 160.227 12.159 -11.524 1.00 0.00 H new ATOM 0 HG2 GLU A 42 161.527 12.404 -13.351 1.00 0.00 H new ATOM 0 HG3 GLU A 42 162.106 10.752 -13.277 1.00 0.00 H new ATOM 663 N GLU A 43 162.209 12.538 -9.983 1.00 0.00 N ATOM 664 CA GLU A 43 163.238 13.478 -9.547 1.00 0.00 C ATOM 665 C GLU A 43 163.482 13.382 -8.042 1.00 0.00 C ATOM 666 O GLU A 43 164.622 13.467 -7.584 1.00 0.00 O ATOM 667 CB GLU A 43 162.840 14.908 -9.916 1.00 0.00 C ATOM 668 CG GLU A 43 162.290 15.043 -11.326 1.00 0.00 C ATOM 669 CD GLU A 43 162.485 16.435 -11.896 1.00 0.00 C ATOM 670 OE1 GLU A 43 161.836 17.377 -11.396 1.00 0.00 O ATOM 671 OE2 GLU A 43 163.288 16.582 -12.842 1.00 0.00 O ATOM 0 H GLU A 43 161.255 12.889 -9.902 1.00 0.00 H new ATOM 0 HA GLU A 43 164.164 13.215 -10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 43 162.091 15.262 -9.208 1.00 0.00 H new ATOM 0 HB3 GLU A 43 163.710 15.557 -9.811 1.00 0.00 H new ATOM 0 HG2 GLU A 43 162.780 14.317 -11.974 1.00 0.00 H new ATOM 0 HG3 GLU A 43 161.227 14.801 -11.322 1.00 0.00 H new ATOM 678 N ARG A 44 162.408 13.213 -7.277 1.00 0.00 N ATOM 679 CA ARG A 44 162.512 13.115 -5.826 1.00 0.00 C ATOM 680 C ARG A 44 163.114 11.778 -5.407 1.00 0.00 C ATOM 681 O ARG A 44 163.927 11.713 -4.487 1.00 0.00 O ATOM 682 CB ARG A 44 161.133 13.290 -5.188 1.00 0.00 C ATOM 683 CG ARG A 44 160.707 14.742 -5.050 1.00 0.00 C ATOM 684 CD ARG A 44 159.886 15.198 -6.245 1.00 0.00 C ATOM 685 NE ARG A 44 158.828 16.129 -5.859 1.00 0.00 N ATOM 686 CZ ARG A 44 158.140 16.869 -6.725 1.00 0.00 C ATOM 687 NH1 ARG A 44 158.396 16.793 -8.025 1.00 0.00 N ATOM 688 NH2 ARG A 44 157.192 17.688 -6.290 1.00 0.00 N ATOM 0 H ARG A 44 161.457 13.141 -7.638 1.00 0.00 H new ATOM 0 HA ARG A 44 163.173 13.909 -5.479 1.00 0.00 H new ATOM 0 HB2 ARG A 44 160.394 12.759 -5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 44 161.136 12.826 -4.202 1.00 0.00 H new ATOM 0 HG2 ARG A 44 160.123 14.866 -4.138 1.00 0.00 H new ATOM 0 HG3 ARG A 44 161.590 15.373 -4.952 1.00 0.00 H new ATOM 0 HD2 ARG A 44 160.541 15.675 -6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 44 159.444 14.330 -6.734 1.00 0.00 H new ATOM 0 HE ARG A 44 158.604 16.217 -4.868 1.00 0.00 H new ATOM 0 HH11 ARG A 44 159.124 16.165 -8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 44 157.865 17.363 -8.684 1.00 0.00 H new ATOM 0 HH21 ARG A 44 156.991 17.751 -5.292 1.00 0.00 H new ATOM 0 HH22 ARG A 44 156.664 18.255 -6.953 1.00 0.00 H new ATOM 702 N GLY A 45 162.705 10.716 -6.089 1.00 0.00 N ATOM 703 CA GLY A 45 163.204 9.389 -5.774 1.00 0.00 C ATOM 704 C GLY A 45 164.717 9.297 -5.806 1.00 0.00 C ATOM 705 O GLY A 45 165.336 9.420 -6.864 1.00 0.00 O ATOM 0 H GLY A 45 162.035 10.749 -6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 45 162.850 9.100 -4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 45 162.788 8.673 -6.483 1.00 0.00 H new ATOM 709 N GLY A 46 165.309 9.068 -4.639 1.00 0.00 N ATOM 710 CA GLY A 46 166.752 8.946 -4.539 1.00 0.00 C ATOM 711 C GLY A 46 167.156 7.829 -3.599 1.00 0.00 C ATOM 712 O GLY A 46 166.422 7.509 -2.663 1.00 0.00 O ATOM 0 H GLY A 46 164.811 8.964 -3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 46 167.171 8.759 -5.528 1.00 0.00 H new ATOM 0 HA3 GLY A 46 167.173 9.888 -4.187 1.00 0.00 H new ATOM 716 N VAL A 47 168.315 7.227 -3.840 1.00 0.00 N ATOM 717 CA VAL A 47 168.793 6.138 -2.999 1.00 0.00 C ATOM 718 C VAL A 47 170.267 6.323 -2.652 1.00 0.00 C ATOM 719 O VAL A 47 171.144 6.104 -3.488 1.00 0.00 O ATOM 720 CB VAL A 47 168.602 4.775 -3.695 1.00 0.00 C ATOM 721 CG1 VAL A 47 169.036 3.637 -2.784 1.00 0.00 C ATOM 722 CG2 VAL A 47 167.154 4.597 -4.130 1.00 0.00 C ATOM 0 H VAL A 47 168.939 7.474 -4.608 1.00 0.00 H new ATOM 0 HA VAL A 47 168.204 6.155 -2.082 1.00 0.00 H new ATOM 0 HB VAL A 47 169.232 4.753 -4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 47 168.892 2.686 -3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 47 170.089 3.756 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 47 168.438 3.652 -1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 47 167.037 3.630 -4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 47 166.503 4.643 -3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 47 166.883 5.391 -4.826 1.00 0.00 H new ATOM 732 N GLU A 48 170.533 6.731 -1.416 1.00 0.00 N ATOM 733 CA GLU A 48 171.901 6.950 -0.960 1.00 0.00 C ATOM 734 C GLU A 48 172.451 5.710 -0.260 1.00 0.00 C ATOM 735 O GLU A 48 171.710 4.970 0.388 1.00 0.00 O ATOM 736 CB GLU A 48 171.960 8.151 -0.014 1.00 0.00 C ATOM 737 CG GLU A 48 171.581 9.465 -0.677 1.00 0.00 C ATOM 738 CD GLU A 48 172.665 9.987 -1.600 1.00 0.00 C ATOM 739 OE1 GLU A 48 172.693 9.571 -2.777 1.00 0.00 O ATOM 740 OE2 GLU A 48 173.485 10.812 -1.145 1.00 0.00 O ATOM 0 H GLU A 48 169.819 6.917 -0.712 1.00 0.00 H new ATOM 0 HA GLU A 48 172.518 7.153 -1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 48 171.292 7.973 0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 48 172.969 8.235 0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 48 170.660 9.329 -1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 48 171.374 10.209 0.092 1.00 0.00 H new ATOM 747 N PHE A 49 173.755 5.492 -0.394 1.00 0.00 N ATOM 748 CA PHE A 49 174.407 4.343 0.226 1.00 0.00 C ATOM 749 C PHE A 49 175.051 4.731 1.553 1.00 0.00 C ATOM 750 O PHE A 49 175.731 5.753 1.651 1.00 0.00 O ATOM 751 CB PHE A 49 175.460 3.756 -0.715 1.00 0.00 C ATOM 752 CG PHE A 49 176.188 2.577 -0.134 1.00 0.00 C ATOM 753 CD1 PHE A 49 177.319 2.761 0.643 1.00 0.00 C ATOM 754 CD2 PHE A 49 175.737 1.286 -0.361 1.00 0.00 C ATOM 755 CE1 PHE A 49 177.989 1.680 1.183 1.00 0.00 C ATOM 756 CE2 PHE A 49 176.402 0.201 0.176 1.00 0.00 C ATOM 757 CZ PHE A 49 177.529 0.399 0.949 1.00 0.00 C ATOM 0 H PHE A 49 174.382 6.096 -0.926 1.00 0.00 H new ATOM 0 HA PHE A 49 173.645 3.588 0.421 1.00 0.00 H new ATOM 0 HB2 PHE A 49 174.978 3.454 -1.645 1.00 0.00 H new ATOM 0 HB3 PHE A 49 176.183 4.531 -0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 49 177.682 3.761 0.829 1.00 0.00 H new ATOM 0 HD2 PHE A 49 174.856 1.127 -0.965 1.00 0.00 H new ATOM 0 HE1 PHE A 49 178.871 1.836 1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 49 176.041 -0.800 -0.008 1.00 0.00 H new ATOM 0 HZ PHE A 49 178.051 -0.448 1.370 1.00 0.00 H new ATOM 767 N VAL A 50 174.835 3.904 2.570 1.00 0.00 N ATOM 768 CA VAL A 50 175.396 4.152 3.893 1.00 0.00 C ATOM 769 C VAL A 50 176.074 2.899 4.441 1.00 0.00 C ATOM 770 O VAL A 50 176.052 1.842 3.806 1.00 0.00 O ATOM 771 CB VAL A 50 174.322 4.631 4.895 1.00 0.00 C ATOM 772 CG1 VAL A 50 174.228 6.148 4.889 1.00 0.00 C ATOM 773 CG2 VAL A 50 172.966 4.009 4.585 1.00 0.00 C ATOM 0 H VAL A 50 174.274 3.055 2.503 1.00 0.00 H new ATOM 0 HA VAL A 50 176.136 4.944 3.776 1.00 0.00 H new ATOM 0 HB VAL A 50 174.621 4.305 5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 50 173.467 6.468 5.600 1.00 0.00 H new ATOM 0 HG12 VAL A 50 175.191 6.573 5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 50 173.959 6.492 3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 50 172.230 4.364 5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 50 172.656 4.294 3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 50 173.041 2.923 4.647 1.00 0.00 H new ATOM 783 N GLU A 51 176.674 3.019 5.621 1.00 0.00 N ATOM 784 CA GLU A 51 177.359 1.892 6.245 1.00 0.00 C ATOM 785 C GLU A 51 176.658 1.466 7.531 1.00 0.00 C ATOM 786 O GLU A 51 176.072 2.290 8.233 1.00 0.00 O ATOM 787 CB GLU A 51 178.815 2.255 6.542 1.00 0.00 C ATOM 788 CG GLU A 51 179.740 2.086 5.348 1.00 0.00 C ATOM 789 CD GLU A 51 181.142 2.594 5.620 1.00 0.00 C ATOM 790 OE1 GLU A 51 181.608 2.462 6.771 1.00 0.00 O ATOM 791 OE2 GLU A 51 181.774 3.124 4.682 1.00 0.00 O ATOM 0 H GLU A 51 176.700 3.883 6.163 1.00 0.00 H new ATOM 0 HA GLU A 51 177.333 1.055 5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 51 178.861 3.289 6.883 1.00 0.00 H new ATOM 0 HB3 GLU A 51 179.176 1.633 7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 51 179.786 1.032 5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 51 179.324 2.619 4.493 1.00 0.00 H new ATOM 798 N THR A 52 176.727 0.172 7.832 1.00 0.00 N ATOM 799 CA THR A 52 176.105 -0.381 9.033 1.00 0.00 C ATOM 800 C THR A 52 176.398 0.484 10.258 1.00 0.00 C ATOM 801 O THR A 52 177.278 1.344 10.227 1.00 0.00 O ATOM 802 CB THR A 52 176.602 -1.811 9.265 1.00 0.00 C ATOM 803 OG1 THR A 52 176.295 -2.633 8.153 1.00 0.00 O ATOM 804 CG2 THR A 52 176.012 -2.467 10.495 1.00 0.00 C ATOM 0 H THR A 52 177.211 -0.518 7.257 1.00 0.00 H new ATOM 0 HA THR A 52 175.026 -0.393 8.883 1.00 0.00 H new ATOM 0 HB THR A 52 177.679 -1.718 9.408 1.00 0.00 H new ATOM 0 HG1 THR A 52 176.942 -2.469 7.436 1.00 0.00 H new ATOM 0 HG21 THR A 52 176.410 -3.477 10.595 1.00 0.00 H new ATOM 0 HG22 THR A 52 176.274 -1.885 11.379 1.00 0.00 H new ATOM 0 HG23 THR A 52 174.927 -2.512 10.398 1.00 0.00 H new ATOM 812 N ALA A 53 175.654 0.248 11.335 1.00 0.00 N ATOM 813 CA ALA A 53 175.833 1.002 12.570 1.00 0.00 C ATOM 814 C ALA A 53 176.273 0.089 13.709 1.00 0.00 C ATOM 815 O ALA A 53 176.606 -1.076 13.491 1.00 0.00 O ATOM 816 CB ALA A 53 174.544 1.724 12.935 1.00 0.00 C ATOM 0 H ALA A 53 174.921 -0.460 11.376 1.00 0.00 H new ATOM 0 HA ALA A 53 176.618 1.741 12.409 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.690 2.284 13.859 1.00 0.00 H new ATOM 0 HB2 ALA A 53 174.272 2.411 12.134 1.00 0.00 H new ATOM 0 HB3 ALA A 53 173.746 0.995 13.074 1.00 0.00 H new ATOM 822 N ASP A 54 176.270 0.625 14.926 1.00 0.00 N ATOM 823 CA ASP A 54 176.667 -0.143 16.101 1.00 0.00 C ATOM 824 C ASP A 54 175.502 -0.282 17.077 1.00 0.00 C ATOM 825 O ASP A 54 175.680 -0.187 18.291 1.00 0.00 O ATOM 826 CB ASP A 54 177.855 0.526 16.796 1.00 0.00 C ATOM 827 CG ASP A 54 179.187 0.044 16.255 1.00 0.00 C ATOM 828 OD1 ASP A 54 179.665 -1.016 16.712 1.00 0.00 O ATOM 829 OD2 ASP A 54 179.752 0.726 15.374 1.00 0.00 O ATOM 0 H ASP A 54 175.997 1.588 15.124 1.00 0.00 H new ATOM 0 HA ASP A 54 176.963 -1.139 15.772 1.00 0.00 H new ATOM 0 HB2 ASP A 54 177.784 1.606 16.671 1.00 0.00 H new ATOM 0 HB3 ASP A 54 177.806 0.325 17.866 1.00 0.00 H new ATOM 834 N ASP A 55 174.311 -0.511 16.533 1.00 0.00 N ATOM 835 CA ASP A 55 173.110 -0.668 17.348 1.00 0.00 C ATOM 836 C ASP A 55 171.896 -0.953 16.470 1.00 0.00 C ATOM 837 O ASP A 55 170.831 -0.364 16.654 1.00 0.00 O ATOM 838 CB ASP A 55 172.865 0.591 18.184 1.00 0.00 C ATOM 839 CG ASP A 55 171.881 0.353 19.312 1.00 0.00 C ATOM 840 OD1 ASP A 55 172.061 -0.632 20.059 1.00 0.00 O ATOM 841 OD2 ASP A 55 170.930 1.151 19.450 1.00 0.00 O ATOM 0 H ASP A 55 174.151 -0.592 15.529 1.00 0.00 H new ATOM 0 HA ASP A 55 173.262 -1.514 18.018 1.00 0.00 H new ATOM 0 HB2 ASP A 55 173.811 0.939 18.598 1.00 0.00 H new ATOM 0 HB3 ASP A 55 172.489 1.385 17.539 1.00 0.00 H new ATOM 846 N TRP A 56 172.065 -1.859 15.513 1.00 0.00 N ATOM 847 CA TRP A 56 170.984 -2.219 14.603 1.00 0.00 C ATOM 848 C TRP A 56 169.912 -3.045 15.309 1.00 0.00 C ATOM 849 O TRP A 56 168.780 -3.138 14.836 1.00 0.00 O ATOM 850 CB TRP A 56 171.536 -2.985 13.400 1.00 0.00 C ATOM 851 CG TRP A 56 171.476 -2.193 12.132 1.00 0.00 C ATOM 852 CD1 TRP A 56 172.527 -1.641 11.459 1.00 0.00 C ATOM 853 CD2 TRP A 56 170.301 -1.858 11.389 1.00 0.00 C ATOM 854 NE1 TRP A 56 172.076 -0.982 10.341 1.00 0.00 N ATOM 855 CE2 TRP A 56 170.712 -1.102 10.276 1.00 0.00 C ATOM 856 CE3 TRP A 56 168.939 -2.125 11.558 1.00 0.00 C ATOM 857 CZ2 TRP A 56 169.810 -0.611 9.336 1.00 0.00 C ATOM 858 CZ3 TRP A 56 168.045 -1.637 10.625 1.00 0.00 C ATOM 859 CH2 TRP A 56 168.483 -0.889 9.527 1.00 0.00 C ATOM 0 H TRP A 56 172.940 -2.357 15.347 1.00 0.00 H new ATOM 0 HA TRP A 56 170.520 -1.296 14.255 1.00 0.00 H new ATOM 0 HB2 TRP A 56 172.570 -3.268 13.598 1.00 0.00 H new ATOM 0 HB3 TRP A 56 170.972 -3.909 13.273 1.00 0.00 H new ATOM 0 HD1 TRP A 56 173.562 -1.712 11.761 1.00 0.00 H new ATOM 0 HE1 TRP A 56 172.661 -0.485 9.669 1.00 0.00 H new ATOM 0 HE3 TRP A 56 168.592 -2.702 12.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 170.145 -0.032 8.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 166.990 -1.836 10.745 1.00 0.00 H new ATOM 0 HH2 TRP A 56 167.759 -0.523 8.814 1.00 0.00 H new ATOM 870 N GLU A 57 170.276 -3.644 16.440 1.00 0.00 N ATOM 871 CA GLU A 57 169.342 -4.461 17.211 1.00 0.00 C ATOM 872 C GLU A 57 168.232 -3.595 17.809 1.00 0.00 C ATOM 873 O GLU A 57 168.099 -3.489 19.029 1.00 0.00 O ATOM 874 CB GLU A 57 170.083 -5.207 18.323 1.00 0.00 C ATOM 875 CG GLU A 57 170.862 -4.293 19.254 1.00 0.00 C ATOM 876 CD GLU A 57 170.943 -4.834 20.668 1.00 0.00 C ATOM 877 OE1 GLU A 57 171.672 -5.825 20.884 1.00 0.00 O ATOM 878 OE2 GLU A 57 170.278 -4.266 21.560 1.00 0.00 O ATOM 0 H GLU A 57 171.211 -3.579 16.843 1.00 0.00 H new ATOM 0 HA GLU A 57 168.888 -5.189 16.538 1.00 0.00 H new ATOM 0 HB2 GLU A 57 169.363 -5.779 18.908 1.00 0.00 H new ATOM 0 HB3 GLU A 57 170.770 -5.924 17.873 1.00 0.00 H new ATOM 0 HG2 GLU A 57 171.870 -4.156 18.863 1.00 0.00 H new ATOM 0 HG3 GLU A 57 170.390 -3.310 19.271 1.00 0.00 H new ATOM 885 N GLU A 58 167.438 -2.982 16.937 1.00 0.00 N ATOM 886 CA GLU A 58 166.335 -2.126 17.355 1.00 0.00 C ATOM 887 C GLU A 58 165.210 -2.192 16.328 1.00 0.00 C ATOM 888 O GLU A 58 164.080 -2.558 16.652 1.00 0.00 O ATOM 889 CB GLU A 58 166.814 -0.682 17.525 1.00 0.00 C ATOM 890 CG GLU A 58 166.802 -0.203 18.967 1.00 0.00 C ATOM 891 CD GLU A 58 165.407 0.130 19.459 1.00 0.00 C ATOM 892 OE1 GLU A 58 164.464 -0.618 19.122 1.00 0.00 O ATOM 893 OE2 GLU A 58 165.256 1.138 20.181 1.00 0.00 O ATOM 0 H GLU A 58 167.541 -3.064 15.926 1.00 0.00 H new ATOM 0 HA GLU A 58 165.960 -2.480 18.315 1.00 0.00 H new ATOM 0 HB2 GLU A 58 167.826 -0.595 17.130 1.00 0.00 H new ATOM 0 HB3 GLU A 58 166.181 -0.025 16.928 1.00 0.00 H new ATOM 0 HG2 GLU A 58 167.234 -0.973 19.606 1.00 0.00 H new ATOM 0 HG3 GLU A 58 167.436 0.679 19.058 1.00 0.00 H new ATOM 900 N GLU A 59 165.538 -1.861 15.082 1.00 0.00 N ATOM 901 CA GLU A 59 164.564 -1.909 14.000 1.00 0.00 C ATOM 902 C GLU A 59 164.282 -3.359 13.636 1.00 0.00 C ATOM 903 O GLU A 59 163.155 -3.838 13.761 1.00 0.00 O ATOM 904 CB GLU A 59 165.083 -1.160 12.772 1.00 0.00 C ATOM 905 CG GLU A 59 165.611 0.230 13.081 1.00 0.00 C ATOM 906 CD GLU A 59 167.107 0.245 13.330 1.00 0.00 C ATOM 907 OE1 GLU A 59 167.576 -0.548 14.173 1.00 0.00 O ATOM 908 OE2 GLU A 59 167.808 1.050 12.682 1.00 0.00 O ATOM 0 H GLU A 59 166.470 -1.557 14.799 1.00 0.00 H new ATOM 0 HA GLU A 59 163.645 -1.428 14.335 1.00 0.00 H new ATOM 0 HB2 GLU A 59 165.877 -1.746 12.309 1.00 0.00 H new ATOM 0 HB3 GLU A 59 164.279 -1.079 12.040 1.00 0.00 H new ATOM 0 HG2 GLU A 59 165.378 0.896 12.250 1.00 0.00 H new ATOM 0 HG3 GLU A 59 165.097 0.623 13.958 1.00 0.00 H new ATOM 915 N ILE A 60 165.327 -4.057 13.205 1.00 0.00 N ATOM 916 CA ILE A 60 165.213 -5.462 12.844 1.00 0.00 C ATOM 917 C ILE A 60 165.385 -6.345 14.079 1.00 0.00 C ATOM 918 O ILE A 60 164.907 -7.479 14.116 1.00 0.00 O ATOM 919 CB ILE A 60 166.256 -5.859 11.779 1.00 0.00 C ATOM 920 CG1 ILE A 60 167.675 -5.618 12.298 1.00 0.00 C ATOM 921 CG2 ILE A 60 166.022 -5.081 10.491 1.00 0.00 C ATOM 922 CD1 ILE A 60 168.752 -6.031 11.319 1.00 0.00 C ATOM 0 H ILE A 60 166.264 -3.670 13.098 1.00 0.00 H new ATOM 0 HA ILE A 60 164.218 -5.611 12.424 1.00 0.00 H new ATOM 0 HB ILE A 60 166.144 -6.922 11.568 1.00 0.00 H new ATOM 0 HG12 ILE A 60 167.793 -4.560 12.532 1.00 0.00 H new ATOM 0 HG13 ILE A 60 167.811 -6.167 13.229 1.00 0.00 H new ATOM 0 HG21 ILE A 60 166.766 -5.372 9.750 1.00 0.00 H new ATOM 0 HG22 ILE A 60 165.025 -5.300 10.110 1.00 0.00 H new ATOM 0 HG23 ILE A 60 166.108 -4.013 10.690 1.00 0.00 H new ATOM 0 HD11 ILE A 60 169.733 -5.832 11.752 1.00 0.00 H new ATOM 0 HD12 ILE A 60 168.659 -7.096 11.104 1.00 0.00 H new ATOM 0 HD13 ILE A 60 168.641 -5.463 10.395 1.00 0.00 H new ATOM 934 N GLY A 61 166.061 -5.807 15.096 1.00 0.00 N ATOM 935 CA GLY A 61 166.276 -6.547 16.327 1.00 0.00 C ATOM 936 C GLY A 61 167.553 -7.365 16.314 1.00 0.00 C ATOM 937 O GLY A 61 168.389 -7.242 17.208 1.00 0.00 O ATOM 0 H GLY A 61 166.463 -4.870 15.086 1.00 0.00 H new ATOM 0 HA2 GLY A 61 166.308 -5.848 17.163 1.00 0.00 H new ATOM 0 HA3 GLY A 61 165.428 -7.211 16.498 1.00 0.00 H new ATOM 941 N VAL A 62 167.693 -8.213 15.304 1.00 0.00 N ATOM 942 CA VAL A 62 168.864 -9.075 15.173 1.00 0.00 C ATOM 943 C VAL A 62 170.166 -8.286 15.285 1.00 0.00 C ATOM 944 O VAL A 62 170.212 -7.095 14.979 1.00 0.00 O ATOM 945 CB VAL A 62 168.849 -9.837 13.831 1.00 0.00 C ATOM 946 CG1 VAL A 62 169.067 -8.886 12.663 1.00 0.00 C ATOM 947 CG2 VAL A 62 169.895 -10.941 13.832 1.00 0.00 C ATOM 0 H VAL A 62 167.006 -8.324 14.558 1.00 0.00 H new ATOM 0 HA VAL A 62 168.816 -9.789 15.995 1.00 0.00 H new ATOM 0 HB VAL A 62 167.867 -10.295 13.711 1.00 0.00 H new ATOM 0 HG11 VAL A 62 169.052 -9.448 11.729 1.00 0.00 H new ATOM 0 HG12 VAL A 62 168.274 -8.138 12.650 1.00 0.00 H new ATOM 0 HG13 VAL A 62 170.031 -8.390 12.773 1.00 0.00 H new ATOM 0 HG21 VAL A 62 169.870 -11.467 12.878 1.00 0.00 H new ATOM 0 HG22 VAL A 62 170.883 -10.506 13.980 1.00 0.00 H new ATOM 0 HG23 VAL A 62 169.683 -11.642 14.639 1.00 0.00 H new ATOM 957 N LEU A 63 171.225 -8.967 15.716 1.00 0.00 N ATOM 958 CA LEU A 63 172.532 -8.334 15.857 1.00 0.00 C ATOM 959 C LEU A 63 173.188 -8.157 14.490 1.00 0.00 C ATOM 960 O LEU A 63 173.157 -9.059 13.654 1.00 0.00 O ATOM 961 CB LEU A 63 173.437 -9.146 16.800 1.00 0.00 C ATOM 962 CG LEU A 63 174.075 -10.417 16.217 1.00 0.00 C ATOM 963 CD1 LEU A 63 173.035 -11.291 15.534 1.00 0.00 C ATOM 964 CD2 LEU A 63 175.203 -10.066 15.254 1.00 0.00 C ATOM 0 H LEU A 63 171.203 -9.954 15.973 1.00 0.00 H new ATOM 0 HA LEU A 63 172.390 -7.348 16.299 1.00 0.00 H new ATOM 0 HB2 LEU A 63 174.237 -8.493 17.150 1.00 0.00 H new ATOM 0 HB3 LEU A 63 172.851 -9.429 17.674 1.00 0.00 H new ATOM 0 HG LEU A 63 174.498 -10.986 17.045 1.00 0.00 H new ATOM 0 HD11 LEU A 63 173.516 -12.182 15.132 1.00 0.00 H new ATOM 0 HD12 LEU A 63 172.275 -11.585 16.258 1.00 0.00 H new ATOM 0 HD13 LEU A 63 172.567 -10.733 14.722 1.00 0.00 H new ATOM 0 HD21 LEU A 63 175.639 -10.982 14.855 1.00 0.00 H new ATOM 0 HD22 LEU A 63 174.808 -9.465 14.435 1.00 0.00 H new ATOM 0 HD23 LEU A 63 175.970 -9.500 15.783 1.00 0.00 H new ATOM 976 N ILE A 64 173.769 -6.985 14.260 1.00 0.00 N ATOM 977 CA ILE A 64 174.414 -6.697 12.985 1.00 0.00 C ATOM 978 C ILE A 64 175.812 -6.121 13.180 1.00 0.00 C ATOM 979 O ILE A 64 175.976 -5.037 13.740 1.00 0.00 O ATOM 980 CB ILE A 64 173.581 -5.707 12.151 1.00 0.00 C ATOM 981 CG1 ILE A 64 172.117 -6.148 12.103 1.00 0.00 C ATOM 982 CG2 ILE A 64 174.152 -5.585 10.748 1.00 0.00 C ATOM 983 CD1 ILE A 64 171.897 -7.444 11.351 1.00 0.00 C ATOM 0 H ILE A 64 173.807 -6.222 14.936 1.00 0.00 H new ATOM 0 HA ILE A 64 174.491 -7.646 12.454 1.00 0.00 H new ATOM 0 HB ILE A 64 173.627 -4.727 12.626 1.00 0.00 H new ATOM 0 HG12 ILE A 64 171.747 -6.262 13.122 1.00 0.00 H new ATOM 0 HG13 ILE A 64 171.525 -5.362 11.635 1.00 0.00 H new ATOM 0 HG21 ILE A 64 173.552 -4.881 10.171 1.00 0.00 H new ATOM 0 HG22 ILE A 64 175.179 -5.225 10.803 1.00 0.00 H new ATOM 0 HG23 ILE A 64 174.135 -6.561 10.262 1.00 0.00 H new ATOM 0 HD11 ILE A 64 170.836 -7.694 11.359 1.00 0.00 H new ATOM 0 HD12 ILE A 64 172.235 -7.329 10.321 1.00 0.00 H new ATOM 0 HD13 ILE A 64 172.461 -8.244 11.831 1.00 0.00 H new ATOM 995 N ASP A 65 176.817 -6.852 12.709 1.00 0.00 N ATOM 996 CA ASP A 65 178.202 -6.412 12.826 1.00 0.00 C ATOM 997 C ASP A 65 178.493 -5.267 11.856 1.00 0.00 C ATOM 998 O ASP A 65 178.314 -5.411 10.647 1.00 0.00 O ATOM 999 CB ASP A 65 179.152 -7.579 12.553 1.00 0.00 C ATOM 1000 CG ASP A 65 179.004 -8.695 13.570 1.00 0.00 C ATOM 1001 OD1 ASP A 65 179.430 -8.502 14.728 1.00 0.00 O ATOM 1002 OD2 ASP A 65 178.463 -9.760 13.208 1.00 0.00 O ATOM 0 H ASP A 65 176.698 -7.751 12.243 1.00 0.00 H new ATOM 0 HA ASP A 65 178.360 -6.053 13.843 1.00 0.00 H new ATOM 0 HB2 ASP A 65 178.962 -7.973 11.555 1.00 0.00 H new ATOM 0 HB3 ASP A 65 180.180 -7.217 12.562 1.00 0.00 H new ATOM 1007 N PRO A 66 178.945 -4.108 12.371 1.00 0.00 N ATOM 1008 CA PRO A 66 179.256 -2.947 11.532 1.00 0.00 C ATOM 1009 C PRO A 66 180.411 -3.219 10.575 1.00 0.00 C ATOM 1010 O PRO A 66 181.266 -4.062 10.840 1.00 0.00 O ATOM 1011 CB PRO A 66 179.636 -1.856 12.538 1.00 0.00 C ATOM 1012 CG PRO A 66 180.014 -2.586 13.780 1.00 0.00 C ATOM 1013 CD PRO A 66 179.187 -3.839 13.799 1.00 0.00 C ATOM 0 HA PRO A 66 178.415 -2.673 10.895 1.00 0.00 H new ATOM 0 HB2 PRO A 66 180.464 -1.251 12.169 1.00 0.00 H new ATOM 0 HB3 PRO A 66 178.802 -1.178 12.718 1.00 0.00 H new ATOM 0 HG2 PRO A 66 181.078 -2.822 13.784 1.00 0.00 H new ATOM 0 HG3 PRO A 66 179.819 -1.978 14.663 1.00 0.00 H new ATOM 0 HD2 PRO A 66 179.716 -4.662 14.279 1.00 0.00 H new ATOM 0 HD3 PRO A 66 178.254 -3.697 14.345 1.00 0.00 H new ATOM 1021 N GLU A 67 180.423 -2.505 9.453 1.00 0.00 N ATOM 1022 CA GLU A 67 181.469 -2.669 8.446 1.00 0.00 C ATOM 1023 C GLU A 67 181.418 -4.056 7.799 1.00 0.00 C ATOM 1024 O GLU A 67 182.271 -4.394 6.978 1.00 0.00 O ATOM 1025 CB GLU A 67 182.849 -2.433 9.068 1.00 0.00 C ATOM 1026 CG GLU A 67 183.446 -1.078 8.725 1.00 0.00 C ATOM 1027 CD GLU A 67 184.581 -1.178 7.724 1.00 0.00 C ATOM 1028 OE1 GLU A 67 185.699 -1.560 8.130 1.00 0.00 O ATOM 1029 OE2 GLU A 67 184.352 -0.875 6.534 1.00 0.00 O ATOM 0 H GLU A 67 179.719 -1.806 9.217 1.00 0.00 H new ATOM 0 HA GLU A 67 181.293 -1.928 7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 67 182.770 -2.523 10.151 1.00 0.00 H new ATOM 0 HB3 GLU A 67 183.529 -3.216 8.732 1.00 0.00 H new ATOM 0 HG2 GLU A 67 182.666 -0.433 8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 67 183.811 -0.604 9.636 1.00 0.00 H new ATOM 1036 N GLU A 68 180.420 -4.856 8.169 1.00 0.00 N ATOM 1037 CA GLU A 68 180.271 -6.197 7.618 1.00 0.00 C ATOM 1038 C GLU A 68 179.040 -6.291 6.717 1.00 0.00 C ATOM 1039 O GLU A 68 178.904 -7.231 5.935 1.00 0.00 O ATOM 1040 CB GLU A 68 180.174 -7.220 8.750 1.00 0.00 C ATOM 1041 CG GLU A 68 181.496 -7.454 9.457 1.00 0.00 C ATOM 1042 CD GLU A 68 181.355 -8.329 10.686 1.00 0.00 C ATOM 1043 OE1 GLU A 68 180.550 -9.283 10.646 1.00 0.00 O ATOM 1044 OE2 GLU A 68 182.051 -8.062 11.688 1.00 0.00 O ATOM 0 H GLU A 68 179.704 -4.597 8.848 1.00 0.00 H new ATOM 0 HA GLU A 68 181.150 -6.414 7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 68 179.436 -6.880 9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 68 179.812 -8.166 8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 68 182.197 -7.919 8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 68 181.923 -6.494 9.747 1.00 0.00 H new ATOM 1051 N TYR A 69 178.146 -5.311 6.831 1.00 0.00 N ATOM 1052 CA TYR A 69 176.930 -5.289 6.024 1.00 0.00 C ATOM 1053 C TYR A 69 176.811 -3.981 5.251 1.00 0.00 C ATOM 1054 O TYR A 69 177.352 -2.953 5.660 1.00 0.00 O ATOM 1055 CB TYR A 69 175.700 -5.472 6.913 1.00 0.00 C ATOM 1056 CG TYR A 69 175.549 -6.874 7.455 1.00 0.00 C ATOM 1057 CD1 TYR A 69 176.532 -7.437 8.259 1.00 0.00 C ATOM 1058 CD2 TYR A 69 174.426 -7.636 7.161 1.00 0.00 C ATOM 1059 CE1 TYR A 69 176.400 -8.719 8.754 1.00 0.00 C ATOM 1060 CE2 TYR A 69 174.286 -8.920 7.653 1.00 0.00 C ATOM 1061 CZ TYR A 69 175.276 -9.457 8.449 1.00 0.00 C ATOM 1062 OH TYR A 69 175.141 -10.734 8.941 1.00 0.00 O ATOM 0 H TYR A 69 178.241 -4.524 7.473 1.00 0.00 H new ATOM 0 HA TYR A 69 176.986 -6.111 5.311 1.00 0.00 H new ATOM 0 HB2 TYR A 69 175.758 -4.773 7.747 1.00 0.00 H new ATOM 0 HB3 TYR A 69 174.808 -5.214 6.342 1.00 0.00 H new ATOM 0 HD1 TYR A 69 177.414 -6.862 8.501 1.00 0.00 H new ATOM 0 HD2 TYR A 69 173.649 -7.218 6.538 1.00 0.00 H new ATOM 0 HE1 TYR A 69 177.174 -9.142 9.377 1.00 0.00 H new ATOM 0 HE2 TYR A 69 173.406 -9.500 7.415 1.00 0.00 H new ATOM 0 HH TYR A 69 174.292 -11.115 8.634 1.00 0.00 H new ATOM 1072 N ALA A 70 176.088 -4.025 4.138 1.00 0.00 N ATOM 1073 CA ALA A 70 175.884 -2.843 3.314 1.00 0.00 C ATOM 1074 C ALA A 70 174.463 -2.324 3.481 1.00 0.00 C ATOM 1075 O ALA A 70 173.496 -3.052 3.257 1.00 0.00 O ATOM 1076 CB ALA A 70 176.172 -3.151 1.852 1.00 0.00 C ATOM 0 H ALA A 70 175.634 -4.868 3.787 1.00 0.00 H new ATOM 0 HA ALA A 70 176.578 -2.069 3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 70 176.013 -2.254 1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 70 177.206 -3.480 1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 70 175.503 -3.940 1.508 1.00 0.00 H new ATOM 1082 N GLU A 71 174.340 -1.067 3.887 1.00 0.00 N ATOM 1083 CA GLU A 71 173.028 -0.471 4.092 1.00 0.00 C ATOM 1084 C GLU A 71 172.765 0.659 3.107 1.00 0.00 C ATOM 1085 O GLU A 71 173.673 1.404 2.737 1.00 0.00 O ATOM 1086 CB GLU A 71 172.886 0.033 5.530 1.00 0.00 C ATOM 1087 CG GLU A 71 173.930 1.060 5.927 1.00 0.00 C ATOM 1088 CD GLU A 71 173.610 1.727 7.251 1.00 0.00 C ATOM 1089 OE1 GLU A 71 173.410 1.001 8.248 1.00 0.00 O ATOM 1090 OE2 GLU A 71 173.558 2.973 7.292 1.00 0.00 O ATOM 0 H GLU A 71 175.126 -0.446 4.079 1.00 0.00 H new ATOM 0 HA GLU A 71 172.283 -1.247 3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 71 171.895 0.469 5.656 1.00 0.00 H new ATOM 0 HB3 GLU A 71 172.949 -0.816 6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 71 174.905 0.577 5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 71 174.003 1.820 5.149 1.00 0.00 H new ATOM 1097 N VAL A 72 171.510 0.774 2.687 1.00 0.00 N ATOM 1098 CA VAL A 72 171.105 1.807 1.745 1.00 0.00 C ATOM 1099 C VAL A 72 169.714 2.327 2.092 1.00 0.00 C ATOM 1100 O VAL A 72 168.841 1.567 2.511 1.00 0.00 O ATOM 1101 CB VAL A 72 171.127 1.280 0.289 1.00 0.00 C ATOM 1102 CG1 VAL A 72 170.017 1.899 -0.553 1.00 0.00 C ATOM 1103 CG2 VAL A 72 172.482 1.546 -0.343 1.00 0.00 C ATOM 0 H VAL A 72 170.753 0.160 2.987 1.00 0.00 H new ATOM 0 HA VAL A 72 171.821 2.626 1.821 1.00 0.00 H new ATOM 0 HB VAL A 72 170.952 0.205 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 72 170.066 1.504 -1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 72 169.049 1.655 -0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 72 170.141 2.982 -0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 72 172.486 1.171 -1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 72 172.677 2.618 -0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 72 173.257 1.039 0.232 1.00 0.00 H new ATOM 1113 N TRP A 73 169.516 3.626 1.911 1.00 0.00 N ATOM 1114 CA TRP A 73 168.232 4.249 2.203 1.00 0.00 C ATOM 1115 C TRP A 73 167.591 4.784 0.926 1.00 0.00 C ATOM 1116 O TRP A 73 168.277 5.316 0.054 1.00 0.00 O ATOM 1117 CB TRP A 73 168.410 5.379 3.221 1.00 0.00 C ATOM 1118 CG TRP A 73 168.642 4.889 4.620 1.00 0.00 C ATOM 1119 CD1 TRP A 73 168.685 3.590 5.036 1.00 0.00 C ATOM 1120 CD2 TRP A 73 168.862 5.691 5.788 1.00 0.00 C ATOM 1121 NE1 TRP A 73 168.914 3.534 6.389 1.00 0.00 N ATOM 1122 CE2 TRP A 73 169.026 4.810 6.872 1.00 0.00 C ATOM 1123 CE3 TRP A 73 168.935 7.066 6.024 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 169.258 5.259 8.168 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 169.166 7.511 7.312 1.00 0.00 C ATOM 1126 CH2 TRP A 73 169.325 6.609 8.370 1.00 0.00 C ATOM 0 H TRP A 73 170.228 4.269 1.563 1.00 0.00 H new ATOM 0 HA TRP A 73 167.572 3.493 2.629 1.00 0.00 H new ATOM 0 HB2 TRP A 73 169.251 6.002 2.918 1.00 0.00 H new ATOM 0 HB3 TRP A 73 167.523 6.013 3.208 1.00 0.00 H new ATOM 0 HD1 TRP A 73 168.557 2.731 4.394 1.00 0.00 H new ATOM 0 HE1 TRP A 73 168.988 2.681 6.943 1.00 0.00 H new ATOM 0 HE3 TRP A 73 168.813 7.769 5.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 169.381 4.565 8.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 169.225 8.572 7.505 1.00 0.00 H new ATOM 0 HH2 TRP A 73 169.504 6.987 9.366 1.00 0.00 H new ATOM 1137 N VAL A 74 166.275 4.633 0.817 1.00 0.00 N ATOM 1138 CA VAL A 74 165.551 5.095 -0.361 1.00 0.00 C ATOM 1139 C VAL A 74 164.395 6.016 0.016 1.00 0.00 C ATOM 1140 O VAL A 74 163.438 5.595 0.666 1.00 0.00 O ATOM 1141 CB VAL A 74 165.005 3.909 -1.180 1.00 0.00 C ATOM 1142 CG1 VAL A 74 164.239 4.404 -2.397 1.00 0.00 C ATOM 1143 CG2 VAL A 74 166.137 2.978 -1.593 1.00 0.00 C ATOM 0 H VAL A 74 165.690 4.195 1.528 1.00 0.00 H new ATOM 0 HA VAL A 74 166.264 5.654 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 74 164.314 3.347 -0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 74 163.862 3.551 -2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 74 163.402 5.023 -2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 74 164.903 4.993 -3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 74 165.732 2.147 -2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 74 166.856 3.527 -2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 74 166.635 2.593 -0.703 1.00 0.00 H new ATOM 1153 N GLY A 75 164.497 7.277 -0.396 1.00 0.00 N ATOM 1154 CA GLY A 75 163.456 8.243 -0.094 1.00 0.00 C ATOM 1155 C GLY A 75 163.333 9.338 -1.140 1.00 0.00 C ATOM 1156 O GLY A 75 163.571 9.109 -2.326 1.00 0.00 O ATOM 0 H GLY A 75 165.282 7.646 -0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 75 162.502 7.724 -0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 75 163.661 8.697 0.875 1.00 0.00 H new ATOM 1160 N LEU A 76 162.970 10.535 -0.685 1.00 0.00 N ATOM 1161 CA LEU A 76 162.818 11.696 -1.574 1.00 0.00 C ATOM 1162 C LEU A 76 163.782 12.804 -1.152 1.00 0.00 C ATOM 1163 O LEU A 76 164.162 12.880 0.017 1.00 0.00 O ATOM 1164 CB LEU A 76 161.361 12.212 -1.570 1.00 0.00 C ATOM 1165 CG LEU A 76 160.294 11.164 -1.897 1.00 0.00 C ATOM 1166 CD1 LEU A 76 160.680 10.363 -3.134 1.00 0.00 C ATOM 1167 CD2 LEU A 76 160.063 10.244 -0.707 1.00 0.00 C ATOM 0 H LEU A 76 162.774 10.732 0.296 1.00 0.00 H new ATOM 0 HA LEU A 76 163.058 11.386 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.145 12.632 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.280 13.026 -2.290 1.00 0.00 H new ATOM 0 HG LEU A 76 159.361 11.685 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 76 159.906 9.625 -3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 76 160.783 11.036 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 76 161.628 9.854 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 76 159.301 9.506 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 76 160.993 9.734 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 76 159.729 10.832 0.148 1.00 0.00 H new ATOM 1179 N VAL A 77 164.184 13.668 -2.090 1.00 0.00 N ATOM 1180 CA VAL A 77 165.103 14.755 -1.770 1.00 0.00 C ATOM 1181 C VAL A 77 164.943 15.915 -2.750 1.00 0.00 C ATOM 1182 O VAL A 77 163.988 15.959 -3.526 1.00 0.00 O ATOM 1183 CB VAL A 77 166.580 14.295 -1.786 1.00 0.00 C ATOM 1184 CG1 VAL A 77 167.323 14.886 -0.599 1.00 0.00 C ATOM 1185 CG2 VAL A 77 166.691 12.774 -1.793 1.00 0.00 C ATOM 0 H VAL A 77 163.889 13.634 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 77 164.848 15.082 -0.762 1.00 0.00 H new ATOM 0 HB VAL A 77 167.039 14.659 -2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 77 168.362 14.556 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 77 167.287 15.974 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 77 166.854 14.552 0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 77 167.742 12.486 -1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 77 166.214 12.370 -0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 77 166.197 12.377 -2.680 1.00 0.00 H new ATOM 1195 N ASN A 78 165.889 16.849 -2.709 1.00 0.00 N ATOM 1196 CA ASN A 78 165.865 18.007 -3.593 1.00 0.00 C ATOM 1197 C ASN A 78 166.954 17.888 -4.661 1.00 0.00 C ATOM 1198 O ASN A 78 167.407 16.786 -4.970 1.00 0.00 O ATOM 1199 CB ASN A 78 166.047 19.294 -2.781 1.00 0.00 C ATOM 1200 CG ASN A 78 165.194 19.314 -1.527 1.00 0.00 C ATOM 1201 OD1 ASN A 78 164.104 19.885 -1.513 1.00 0.00 O ATOM 1202 ND2 ASN A 78 165.689 18.688 -0.465 1.00 0.00 N ATOM 0 H ASN A 78 166.684 16.825 -2.070 1.00 0.00 H new ATOM 0 HA ASN A 78 164.898 18.044 -4.094 1.00 0.00 H new ATOM 0 HB2 ASN A 78 167.096 19.400 -2.505 1.00 0.00 H new ATOM 0 HB3 ASN A 78 165.793 20.152 -3.404 1.00 0.00 H new ATOM 0 HD21 ASN A 78 165.161 18.668 0.407 1.00 0.00 H new ATOM 0 HD22 ASN A 78 166.597 18.228 -0.522 1.00 0.00 H new ATOM 1209 N GLU A 79 167.370 19.021 -5.222 1.00 0.00 N ATOM 1210 CA GLU A 79 168.403 19.027 -6.253 1.00 0.00 C ATOM 1211 C GLU A 79 169.804 19.056 -5.641 1.00 0.00 C ATOM 1212 O GLU A 79 170.800 18.881 -6.343 1.00 0.00 O ATOM 1213 CB GLU A 79 168.217 20.229 -7.181 1.00 0.00 C ATOM 1214 CG GLU A 79 167.207 19.989 -8.291 1.00 0.00 C ATOM 1215 CD GLU A 79 167.858 19.845 -9.653 1.00 0.00 C ATOM 1216 OE1 GLU A 79 168.476 18.789 -9.906 1.00 0.00 O ATOM 1217 OE2 GLU A 79 167.750 20.787 -10.466 1.00 0.00 O ATOM 0 H GLU A 79 167.009 19.944 -4.981 1.00 0.00 H new ATOM 0 HA GLU A 79 168.303 18.106 -6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 79 167.898 21.088 -6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 79 169.178 20.487 -7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 79 166.636 19.088 -8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 79 166.498 20.817 -8.317 1.00 0.00 H new ATOM 1224 N GLN A 80 169.877 19.281 -4.331 1.00 0.00 N ATOM 1225 CA GLN A 80 171.158 19.334 -3.634 1.00 0.00 C ATOM 1226 C GLN A 80 171.792 17.947 -3.516 1.00 0.00 C ATOM 1227 O GLN A 80 172.945 17.818 -3.103 1.00 0.00 O ATOM 1228 CB GLN A 80 170.978 19.944 -2.242 1.00 0.00 C ATOM 1229 CG GLN A 80 169.910 19.256 -1.408 1.00 0.00 C ATOM 1230 CD GLN A 80 169.821 19.813 0.000 1.00 0.00 C ATOM 1231 OE1 GLN A 80 168.743 20.179 0.468 1.00 0.00 O ATOM 1232 NE2 GLN A 80 170.958 19.879 0.683 1.00 0.00 N ATOM 0 H GLN A 80 169.065 19.429 -3.732 1.00 0.00 H new ATOM 0 HA GLN A 80 171.828 19.962 -4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 80 171.928 19.899 -1.709 1.00 0.00 H new ATOM 0 HB3 GLN A 80 170.722 20.998 -2.347 1.00 0.00 H new ATOM 0 HG2 GLN A 80 168.943 19.366 -1.900 1.00 0.00 H new ATOM 0 HG3 GLN A 80 170.124 18.188 -1.360 1.00 0.00 H new ATOM 0 HE21 GLN A 80 171.829 19.564 0.255 1.00 0.00 H new ATOM 0 HE22 GLN A 80 170.960 20.244 1.635 1.00 0.00 H new ATOM 1241 N ASP A 81 171.038 16.912 -3.880 1.00 0.00 N ATOM 1242 CA ASP A 81 171.535 15.541 -3.814 1.00 0.00 C ATOM 1243 C ASP A 81 171.816 15.127 -2.372 1.00 0.00 C ATOM 1244 O ASP A 81 172.965 15.105 -1.930 1.00 0.00 O ATOM 1245 CB ASP A 81 172.801 15.390 -4.659 1.00 0.00 C ATOM 1246 CG ASP A 81 172.862 14.055 -5.376 1.00 0.00 C ATOM 1247 OD1 ASP A 81 173.338 13.075 -4.766 1.00 0.00 O ATOM 1248 OD2 ASP A 81 172.433 13.990 -6.547 1.00 0.00 O ATOM 0 H ASP A 81 170.081 16.997 -4.223 1.00 0.00 H new ATOM 0 HA ASP A 81 170.762 14.885 -4.214 1.00 0.00 H new ATOM 0 HB2 ASP A 81 172.843 16.195 -5.392 1.00 0.00 H new ATOM 0 HB3 ASP A 81 173.677 15.496 -4.019 1.00 0.00 H new ATOM 1253 N GLU A 82 170.754 14.800 -1.647 1.00 0.00 N ATOM 1254 CA GLU A 82 170.863 14.383 -0.255 1.00 0.00 C ATOM 1255 C GLU A 82 169.758 13.381 0.077 1.00 0.00 C ATOM 1256 O GLU A 82 169.325 12.627 -0.792 1.00 0.00 O ATOM 1257 CB GLU A 82 170.777 15.608 0.658 1.00 0.00 C ATOM 1258 CG GLU A 82 171.700 15.535 1.864 1.00 0.00 C ATOM 1259 CD GLU A 82 172.712 16.664 1.896 1.00 0.00 C ATOM 1260 OE1 GLU A 82 172.295 17.837 1.799 1.00 0.00 O ATOM 1261 OE2 GLU A 82 173.920 16.374 2.018 1.00 0.00 O ATOM 0 H GLU A 82 169.799 14.816 -2.004 1.00 0.00 H new ATOM 0 HA GLU A 82 171.826 13.897 -0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 82 171.019 16.500 0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 82 169.750 15.721 1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 82 171.103 15.562 2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 82 172.227 14.581 1.856 1.00 0.00 H new ATOM 1268 N MET A 83 169.292 13.373 1.324 1.00 0.00 N ATOM 1269 CA MET A 83 168.228 12.460 1.723 1.00 0.00 C ATOM 1270 C MET A 83 167.270 13.131 2.706 1.00 0.00 C ATOM 1271 O MET A 83 166.218 13.633 2.309 1.00 0.00 O ATOM 1272 CB MET A 83 168.812 11.177 2.319 1.00 0.00 C ATOM 1273 CG MET A 83 167.793 10.058 2.472 1.00 0.00 C ATOM 1274 SD MET A 83 166.902 9.703 0.944 1.00 0.00 S ATOM 1275 CE MET A 83 168.156 8.821 0.016 1.00 0.00 C ATOM 0 H MET A 83 169.632 13.983 2.068 1.00 0.00 H new ATOM 0 HA MET A 83 167.659 12.193 0.832 1.00 0.00 H new ATOM 0 HB2 MET A 83 169.628 10.830 1.685 1.00 0.00 H new ATOM 0 HB3 MET A 83 169.241 11.402 3.295 1.00 0.00 H new ATOM 0 HG2 MET A 83 168.302 9.154 2.808 1.00 0.00 H new ATOM 0 HG3 MET A 83 167.078 10.329 3.249 1.00 0.00 H new ATOM 0 HE1 MET A 83 168.355 9.347 -0.917 1.00 0.00 H new ATOM 0 HE2 MET A 83 169.072 8.765 0.604 1.00 0.00 H new ATOM 0 HE3 MET A 83 167.804 7.813 -0.204 1.00 0.00 H new ATOM 1285 N ASP A 84 167.636 13.146 3.987 1.00 0.00 N ATOM 1286 CA ASP A 84 166.806 13.765 5.021 1.00 0.00 C ATOM 1287 C ASP A 84 165.331 13.395 4.853 1.00 0.00 C ATOM 1288 O ASP A 84 164.448 14.235 5.021 1.00 0.00 O ATOM 1289 CB ASP A 84 166.969 15.286 4.989 1.00 0.00 C ATOM 1290 CG ASP A 84 167.215 15.871 6.366 1.00 0.00 C ATOM 1291 OD1 ASP A 84 168.390 15.924 6.787 1.00 0.00 O ATOM 1292 OD2 ASP A 84 166.233 16.275 7.023 1.00 0.00 O ATOM 0 H ASP A 84 168.503 12.736 4.335 1.00 0.00 H new ATOM 0 HA ASP A 84 167.141 13.385 5.986 1.00 0.00 H new ATOM 0 HB2 ASP A 84 167.800 15.546 4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 84 166.073 15.736 4.561 1.00 0.00 H new ATOM 1297 N ASP A 85 165.076 12.131 4.524 1.00 0.00 N ATOM 1298 CA ASP A 85 163.713 11.636 4.333 1.00 0.00 C ATOM 1299 C ASP A 85 163.737 10.244 3.712 1.00 0.00 C ATOM 1300 O ASP A 85 163.534 10.086 2.506 1.00 0.00 O ATOM 1301 CB ASP A 85 162.905 12.591 3.448 1.00 0.00 C ATOM 1302 CG ASP A 85 161.951 13.453 4.252 1.00 0.00 C ATOM 1303 OD1 ASP A 85 161.077 12.887 4.941 1.00 0.00 O ATOM 1304 OD2 ASP A 85 162.078 14.694 4.192 1.00 0.00 O ATOM 0 H ASP A 85 165.800 11.426 4.383 1.00 0.00 H new ATOM 0 HA ASP A 85 163.232 11.581 5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 85 163.588 13.232 2.891 1.00 0.00 H new ATOM 0 HB3 ASP A 85 162.340 12.014 2.716 1.00 0.00 H new ATOM 1309 N VAL A 86 163.999 9.240 4.544 1.00 0.00 N ATOM 1310 CA VAL A 86 164.068 7.856 4.087 1.00 0.00 C ATOM 1311 C VAL A 86 162.708 7.165 4.163 1.00 0.00 C ATOM 1312 O VAL A 86 162.004 7.265 5.167 1.00 0.00 O ATOM 1313 CB VAL A 86 165.083 7.044 4.921 1.00 0.00 C ATOM 1314 CG1 VAL A 86 164.675 7.016 6.386 1.00 0.00 C ATOM 1315 CG2 VAL A 86 165.218 5.631 4.374 1.00 0.00 C ATOM 0 H VAL A 86 164.168 9.360 5.543 1.00 0.00 H new ATOM 0 HA VAL A 86 164.391 7.890 3.047 1.00 0.00 H new ATOM 0 HB VAL A 86 166.054 7.533 4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 86 165.403 6.439 6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 86 164.637 8.034 6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 86 163.692 6.555 6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 86 165.938 5.075 4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 86 164.250 5.132 4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 86 165.563 5.672 3.341 1.00 0.00 H new ATOM 1325 N PHE A 87 162.360 6.443 3.101 1.00 0.00 N ATOM 1326 CA PHE A 87 161.100 5.708 3.055 1.00 0.00 C ATOM 1327 C PHE A 87 161.326 4.282 3.544 1.00 0.00 C ATOM 1328 O PHE A 87 160.568 3.759 4.361 1.00 0.00 O ATOM 1329 CB PHE A 87 160.536 5.685 1.627 1.00 0.00 C ATOM 1330 CG PHE A 87 159.395 6.638 1.389 1.00 0.00 C ATOM 1331 CD1 PHE A 87 158.507 6.962 2.404 1.00 0.00 C ATOM 1332 CD2 PHE A 87 159.210 7.205 0.138 1.00 0.00 C ATOM 1333 CE1 PHE A 87 157.460 7.834 2.175 1.00 0.00 C ATOM 1334 CE2 PHE A 87 158.164 8.076 -0.097 1.00 0.00 C ATOM 1335 CZ PHE A 87 157.288 8.392 0.923 1.00 0.00 C ATOM 0 H PHE A 87 162.932 6.352 2.262 1.00 0.00 H new ATOM 0 HA PHE A 87 160.379 6.208 3.702 1.00 0.00 H new ATOM 0 HB2 PHE A 87 161.340 5.919 0.929 1.00 0.00 H new ATOM 0 HB3 PHE A 87 160.201 4.673 1.399 1.00 0.00 H new ATOM 0 HD1 PHE A 87 158.635 6.528 3.384 1.00 0.00 H new ATOM 0 HD2 PHE A 87 159.892 6.963 -0.663 1.00 0.00 H new ATOM 0 HE1 PHE A 87 156.776 8.079 2.974 1.00 0.00 H new ATOM 0 HE2 PHE A 87 158.031 8.509 -1.077 1.00 0.00 H new ATOM 0 HZ PHE A 87 156.470 9.074 0.742 1.00 0.00 H new ATOM 1345 N ALA A 88 162.395 3.673 3.043 1.00 0.00 N ATOM 1346 CA ALA A 88 162.769 2.316 3.420 1.00 0.00 C ATOM 1347 C ALA A 88 164.274 2.246 3.647 1.00 0.00 C ATOM 1348 O ALA A 88 165.010 3.128 3.204 1.00 0.00 O ATOM 1349 CB ALA A 88 162.343 1.326 2.344 1.00 0.00 C ATOM 0 H ALA A 88 163.024 4.105 2.366 1.00 0.00 H new ATOM 0 HA ALA A 88 162.258 2.049 4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 88 162.631 0.318 2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.262 1.372 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 88 162.832 1.579 1.403 1.00 0.00 H new ATOM 1355 N LYS A 89 164.741 1.203 4.324 1.00 0.00 N ATOM 1356 CA LYS A 89 166.165 1.035 4.586 1.00 0.00 C ATOM 1357 C LYS A 89 166.536 -0.429 4.377 1.00 0.00 C ATOM 1358 O LYS A 89 165.758 -1.321 4.713 1.00 0.00 O ATOM 1359 CB LYS A 89 166.505 1.477 6.017 1.00 0.00 C ATOM 1360 CG LYS A 89 165.802 2.758 6.468 1.00 0.00 C ATOM 1361 CD LYS A 89 165.294 2.646 7.898 1.00 0.00 C ATOM 1362 CE LYS A 89 166.427 2.380 8.874 1.00 0.00 C ATOM 1363 NZ LYS A 89 166.021 1.449 9.962 1.00 0.00 N ATOM 0 H LYS A 89 164.153 0.460 4.702 1.00 0.00 H new ATOM 0 HA LYS A 89 166.738 1.658 3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 89 166.243 0.672 6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 89 167.583 1.623 6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 89 166.492 3.598 6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 89 164.967 2.969 5.800 1.00 0.00 H new ATOM 0 HD2 LYS A 89 164.782 3.567 8.176 1.00 0.00 H new ATOM 0 HD3 LYS A 89 164.561 1.842 7.963 1.00 0.00 H new ATOM 0 HE2 LYS A 89 167.277 1.960 8.336 1.00 0.00 H new ATOM 0 HE3 LYS A 89 166.759 3.323 9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 166.441 1.761 10.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 164.985 1.446 10.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 166.353 0.489 9.739 1.00 0.00 H new ATOM 1377 N PHE A 90 167.696 -0.679 3.780 1.00 0.00 N ATOM 1378 CA PHE A 90 168.109 -2.048 3.490 1.00 0.00 C ATOM 1379 C PHE A 90 169.429 -2.429 4.153 1.00 0.00 C ATOM 1380 O PHE A 90 170.277 -1.582 4.426 1.00 0.00 O ATOM 1381 CB PHE A 90 168.228 -2.240 1.977 1.00 0.00 C ATOM 1382 CG PHE A 90 166.987 -1.857 1.222 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.519 -0.551 1.241 1.00 0.00 C ATOM 1384 CD2 PHE A 90 166.286 -2.803 0.495 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.376 -0.200 0.552 1.00 0.00 C ATOM 1386 CE2 PHE A 90 165.141 -2.457 -0.196 1.00 0.00 C ATOM 1387 CZ PHE A 90 164.685 -1.154 -0.167 1.00 0.00 C ATOM 0 H PHE A 90 168.360 0.039 3.490 1.00 0.00 H new ATOM 0 HA PHE A 90 167.342 -2.703 3.903 1.00 0.00 H new ATOM 0 HB2 PHE A 90 169.065 -1.646 1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 90 168.462 -3.284 1.769 1.00 0.00 H new ATOM 0 HD1 PHE A 90 167.056 0.200 1.802 1.00 0.00 H new ATOM 0 HD2 PHE A 90 166.638 -3.824 0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 90 165.023 0.820 0.575 1.00 0.00 H new ATOM 0 HE2 PHE A 90 164.603 -3.205 -0.759 1.00 0.00 H new ATOM 0 HZ PHE A 90 163.789 -0.882 -0.706 1.00 0.00 H new ATOM 1397 N LEU A 91 169.585 -3.731 4.382 1.00 0.00 N ATOM 1398 CA LEU A 91 170.792 -4.289 4.984 1.00 0.00 C ATOM 1399 C LEU A 91 171.154 -5.596 4.289 1.00 0.00 C ATOM 1400 O LEU A 91 170.353 -6.531 4.260 1.00 0.00 O ATOM 1401 CB LEU A 91 170.595 -4.546 6.478 1.00 0.00 C ATOM 1402 CG LEU A 91 170.165 -3.335 7.306 1.00 0.00 C ATOM 1403 CD1 LEU A 91 169.899 -3.743 8.748 1.00 0.00 C ATOM 1404 CD2 LEU A 91 171.224 -2.245 7.249 1.00 0.00 C ATOM 0 H LEU A 91 168.877 -4.429 4.155 1.00 0.00 H new ATOM 0 HA LEU A 91 171.599 -3.566 4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 91 169.847 -5.330 6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 91 171.529 -4.931 6.888 1.00 0.00 H new ATOM 0 HG LEU A 91 169.242 -2.940 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 91 169.594 -2.869 9.323 1.00 0.00 H new ATOM 0 HD12 LEU A 91 169.105 -4.490 8.774 1.00 0.00 H new ATOM 0 HD13 LEU A 91 170.807 -4.163 9.181 1.00 0.00 H new ATOM 0 HD21 LEU A 91 170.900 -1.391 7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 91 172.163 -2.629 7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 91 171.369 -1.932 6.215 1.00 0.00 H new ATOM 1416 N ILE A 92 172.350 -5.659 3.719 1.00 0.00 N ATOM 1417 CA ILE A 92 172.788 -6.861 3.014 1.00 0.00 C ATOM 1418 C ILE A 92 174.223 -7.236 3.369 1.00 0.00 C ATOM 1419 O ILE A 92 175.141 -6.425 3.242 1.00 0.00 O ATOM 1420 CB ILE A 92 172.676 -6.688 1.480 1.00 0.00 C ATOM 1421 CG1 ILE A 92 172.969 -5.237 1.082 1.00 0.00 C ATOM 1422 CG2 ILE A 92 171.292 -7.107 1.006 1.00 0.00 C ATOM 1423 CD1 ILE A 92 172.684 -4.933 -0.373 1.00 0.00 C ATOM 0 H ILE A 92 173.031 -4.900 3.729 1.00 0.00 H new ATOM 0 HA ILE A 92 172.125 -7.664 3.335 1.00 0.00 H new ATOM 0 HB ILE A 92 173.415 -7.328 0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 92 172.373 -4.571 1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 92 174.016 -5.017 1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 92 171.224 -6.981 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 92 171.121 -8.153 1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 92 170.538 -6.487 1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 92 172.916 -3.888 -0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 92 173.300 -5.572 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 92 171.631 -5.120 -0.584 1.00 0.00 H new ATOM 1435 N SER A 93 174.402 -8.477 3.812 1.00 0.00 N ATOM 1436 CA SER A 93 175.721 -8.980 4.186 1.00 0.00 C ATOM 1437 C SER A 93 176.722 -8.787 3.048 1.00 0.00 C ATOM 1438 O SER A 93 176.482 -9.216 1.920 1.00 0.00 O ATOM 1439 CB SER A 93 175.637 -10.461 4.560 1.00 0.00 C ATOM 1440 OG SER A 93 175.649 -11.281 3.405 1.00 0.00 O ATOM 0 H SER A 93 173.648 -9.155 3.921 1.00 0.00 H new ATOM 0 HA SER A 93 176.067 -8.412 5.050 1.00 0.00 H new ATOM 0 HB2 SER A 93 176.475 -10.724 5.205 1.00 0.00 H new ATOM 0 HB3 SER A 93 174.726 -10.644 5.130 1.00 0.00 H new ATOM 0 HG SER A 93 175.588 -10.719 2.604 1.00 0.00 H new ATOM 1446 N HIS A 94 177.842 -8.136 3.352 1.00 0.00 N ATOM 1447 CA HIS A 94 178.876 -7.883 2.351 1.00 0.00 C ATOM 1448 C HIS A 94 179.337 -9.182 1.695 1.00 0.00 C ATOM 1449 O HIS A 94 179.546 -9.236 0.483 1.00 0.00 O ATOM 1450 CB HIS A 94 180.074 -7.171 2.986 1.00 0.00 C ATOM 1451 CG HIS A 94 180.003 -5.679 2.894 1.00 0.00 C ATOM 1452 ND1 HIS A 94 180.511 -4.970 1.831 1.00 0.00 N ATOM 1453 CD2 HIS A 94 179.485 -4.760 3.744 1.00 0.00 C ATOM 1454 CE1 HIS A 94 180.313 -3.678 2.028 1.00 0.00 C ATOM 1455 NE2 HIS A 94 179.691 -3.525 3.182 1.00 0.00 N ATOM 0 H HIS A 94 178.057 -7.775 4.281 1.00 0.00 H new ATOM 0 HA HIS A 94 178.444 -7.242 1.583 1.00 0.00 H new ATOM 0 HB2 HIS A 94 180.143 -7.459 4.035 1.00 0.00 H new ATOM 0 HB3 HIS A 94 180.988 -7.513 2.501 1.00 0.00 H new ATOM 0 HD2 HIS A 94 179.000 -4.962 4.688 1.00 0.00 H new ATOM 0 HE1 HIS A 94 180.609 -2.884 1.359 1.00 0.00 H new ATOM 0 HE2 HIS A 94 179.409 -2.634 3.590 1.00 0.00 H new ATOM 1464 N ARG A 95 179.498 -10.226 2.503 1.00 0.00 N ATOM 1465 CA ARG A 95 179.939 -11.523 1.998 1.00 0.00 C ATOM 1466 C ARG A 95 179.006 -12.031 0.903 1.00 0.00 C ATOM 1467 O ARG A 95 177.794 -11.824 0.959 1.00 0.00 O ATOM 1468 CB ARG A 95 180.010 -12.541 3.138 1.00 0.00 C ATOM 1469 CG ARG A 95 178.721 -12.654 3.936 1.00 0.00 C ATOM 1470 CD ARG A 95 178.839 -13.696 5.036 1.00 0.00 C ATOM 1471 NE ARG A 95 177.640 -13.753 5.869 1.00 0.00 N ATOM 1472 CZ ARG A 95 177.353 -14.761 6.689 1.00 0.00 C ATOM 1473 NH1 ARG A 95 178.176 -15.798 6.791 1.00 0.00 N ATOM 1474 NH2 ARG A 95 176.241 -14.733 7.410 1.00 0.00 N ATOM 0 H ARG A 95 179.330 -10.200 3.509 1.00 0.00 H new ATOM 0 HA ARG A 95 180.933 -11.397 1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 95 180.259 -13.519 2.725 1.00 0.00 H new ATOM 0 HB3 ARG A 95 180.821 -12.264 3.811 1.00 0.00 H new ATOM 0 HG2 ARG A 95 178.477 -11.686 4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 95 177.900 -12.918 3.269 1.00 0.00 H new ATOM 0 HD2 ARG A 95 179.017 -14.675 4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 95 179.703 -13.468 5.660 1.00 0.00 H new ATOM 0 HE ARG A 95 176.984 -12.974 5.819 1.00 0.00 H new ATOM 0 HH11 ARG A 95 179.033 -15.825 6.239 1.00 0.00 H new ATOM 0 HH12 ARG A 95 177.951 -16.568 7.421 1.00 0.00 H new ATOM 0 HH21 ARG A 95 175.605 -13.939 7.336 1.00 0.00 H new ATOM 0 HH22 ARG A 95 176.021 -15.506 8.038 1.00 0.00 H new ATOM 1488 N GLU A 96 179.584 -12.696 -0.092 1.00 0.00 N ATOM 1489 CA GLU A 96 178.810 -13.235 -1.203 1.00 0.00 C ATOM 1490 C GLU A 96 178.038 -14.480 -0.778 1.00 0.00 C ATOM 1491 O GLU A 96 176.941 -14.741 -1.272 1.00 0.00 O ATOM 1492 CB GLU A 96 179.732 -13.568 -2.377 1.00 0.00 C ATOM 1493 CG GLU A 96 179.085 -13.360 -3.737 1.00 0.00 C ATOM 1494 CD GLU A 96 178.614 -14.659 -4.361 1.00 0.00 C ATOM 1495 OE1 GLU A 96 177.466 -15.068 -4.087 1.00 0.00 O ATOM 1496 OE2 GLU A 96 179.394 -15.268 -5.124 1.00 0.00 O ATOM 0 H GLU A 96 180.587 -12.874 -0.151 1.00 0.00 H new ATOM 0 HA GLU A 96 178.093 -12.476 -1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 96 180.627 -12.950 -2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 96 180.054 -14.606 -2.292 1.00 0.00 H new ATOM 0 HG2 GLU A 96 178.237 -12.683 -3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 96 179.798 -12.877 -4.405 1.00 0.00 H new ATOM 1503 N GLU A 97 178.616 -15.244 0.144 1.00 0.00 N ATOM 1504 CA GLU A 97 177.978 -16.458 0.638 1.00 0.00 C ATOM 1505 C GLU A 97 176.728 -16.120 1.443 1.00 0.00 C ATOM 1506 O GLU A 97 176.619 -15.031 2.006 1.00 0.00 O ATOM 1507 CB GLU A 97 178.955 -17.260 1.500 1.00 0.00 C ATOM 1508 CG GLU A 97 179.691 -18.348 0.735 1.00 0.00 C ATOM 1509 CD GLU A 97 180.809 -18.975 1.545 1.00 0.00 C ATOM 1510 OE1 GLU A 97 180.718 -18.964 2.791 1.00 0.00 O ATOM 1511 OE2 GLU A 97 181.775 -19.477 0.933 1.00 0.00 O ATOM 0 H GLU A 97 179.524 -15.044 0.563 1.00 0.00 H new ATOM 0 HA GLU A 97 177.686 -17.063 -0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 97 179.684 -16.578 1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 97 178.408 -17.715 2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 97 178.983 -19.122 0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 97 180.103 -17.927 -0.182 1.00 0.00 H new ATOM 1518 N ASP A 98 175.788 -17.060 1.496 1.00 0.00 N ATOM 1519 CA ASP A 98 174.544 -16.862 2.234 1.00 0.00 C ATOM 1520 C ASP A 98 173.676 -15.803 1.562 1.00 0.00 C ATOM 1521 O ASP A 98 172.601 -16.105 1.043 1.00 0.00 O ATOM 1522 CB ASP A 98 174.839 -16.460 3.684 1.00 0.00 C ATOM 1523 CG ASP A 98 174.381 -17.509 4.679 1.00 0.00 C ATOM 1524 OD1 ASP A 98 174.375 -18.705 4.320 1.00 0.00 O ATOM 1525 OD2 ASP A 98 174.029 -17.134 5.816 1.00 0.00 O ATOM 0 H ASP A 98 175.864 -17.967 1.036 1.00 0.00 H new ATOM 0 HA ASP A 98 173.998 -17.805 2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 98 175.910 -16.295 3.802 1.00 0.00 H new ATOM 0 HB3 ASP A 98 174.344 -15.514 3.904 1.00 0.00 H new ATOM 1530 N ARG A 99 174.148 -14.560 1.577 1.00 0.00 N ATOM 1531 CA ARG A 99 173.416 -13.454 0.970 1.00 0.00 C ATOM 1532 C ARG A 99 172.104 -13.206 1.708 1.00 0.00 C ATOM 1533 O ARG A 99 171.051 -13.703 1.309 1.00 0.00 O ATOM 1534 CB ARG A 99 173.140 -13.743 -0.514 1.00 0.00 C ATOM 1535 CG ARG A 99 173.521 -12.609 -1.463 1.00 0.00 C ATOM 1536 CD ARG A 99 173.226 -11.239 -0.869 1.00 0.00 C ATOM 1537 NE ARG A 99 172.616 -10.339 -1.844 1.00 0.00 N ATOM 1538 CZ ARG A 99 171.325 -10.363 -2.170 1.00 0.00 C ATOM 1539 NH1 ARG A 99 170.507 -11.242 -1.604 1.00 0.00 N ATOM 1540 NH2 ARG A 99 170.851 -9.506 -3.064 1.00 0.00 N ATOM 0 H ARG A 99 175.035 -14.294 2.004 1.00 0.00 H new ATOM 0 HA ARG A 99 174.031 -12.557 1.045 1.00 0.00 H new ATOM 0 HB2 ARG A 99 173.686 -14.641 -0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 99 172.079 -13.962 -0.637 1.00 0.00 H new ATOM 0 HG2 ARG A 99 174.582 -12.679 -1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 99 172.975 -12.722 -2.400 1.00 0.00 H new ATOM 0 HD2 ARG A 99 172.560 -11.351 -0.013 1.00 0.00 H new ATOM 0 HD3 ARG A 99 174.151 -10.798 -0.498 1.00 0.00 H new ATOM 0 HE ARG A 99 173.214 -9.651 -2.302 1.00 0.00 H new ATOM 0 HH11 ARG A 99 170.866 -11.903 -0.916 1.00 0.00 H new ATOM 0 HH12 ARG A 99 169.519 -11.256 -1.857 1.00 0.00 H new ATOM 0 HH21 ARG A 99 171.475 -8.829 -3.502 1.00 0.00 H new ATOM 0 HH22 ARG A 99 169.862 -9.524 -3.314 1.00 0.00 H new ATOM 1554 N GLU A 100 172.176 -12.433 2.786 1.00 0.00 N ATOM 1555 CA GLU A 100 170.996 -12.118 3.581 1.00 0.00 C ATOM 1556 C GLU A 100 170.639 -10.641 3.457 1.00 0.00 C ATOM 1557 O GLU A 100 171.458 -9.767 3.745 1.00 0.00 O ATOM 1558 CB GLU A 100 171.233 -12.477 5.049 1.00 0.00 C ATOM 1559 CG GLU A 100 171.266 -13.974 5.310 1.00 0.00 C ATOM 1560 CD GLU A 100 169.929 -14.641 5.051 1.00 0.00 C ATOM 1561 OE1 GLU A 100 169.538 -14.750 3.870 1.00 0.00 O ATOM 1562 OE2 GLU A 100 169.272 -15.054 6.030 1.00 0.00 O ATOM 0 H GLU A 100 173.040 -12.013 3.129 1.00 0.00 H new ATOM 0 HA GLU A 100 170.163 -12.709 3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 100 172.177 -12.039 5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 100 170.447 -12.028 5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 100 172.025 -14.433 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 100 171.563 -14.152 6.344 1.00 0.00 H new ATOM 1569 N PHE A 101 169.412 -10.370 3.027 1.00 0.00 N ATOM 1570 CA PHE A 101 168.944 -8.999 2.863 1.00 0.00 C ATOM 1571 C PHE A 101 167.742 -8.726 3.761 1.00 0.00 C ATOM 1572 O PHE A 101 166.851 -9.564 3.893 1.00 0.00 O ATOM 1573 CB PHE A 101 168.577 -8.735 1.401 1.00 0.00 C ATOM 1574 CG PHE A 101 167.363 -9.492 0.938 1.00 0.00 C ATOM 1575 CD1 PHE A 101 167.444 -10.843 0.643 1.00 0.00 C ATOM 1576 CD2 PHE A 101 166.143 -8.850 0.798 1.00 0.00 C ATOM 1577 CE1 PHE A 101 166.329 -11.541 0.218 1.00 0.00 C ATOM 1578 CE2 PHE A 101 165.025 -9.543 0.373 1.00 0.00 C ATOM 1579 CZ PHE A 101 165.118 -10.890 0.083 1.00 0.00 C ATOM 0 H PHE A 101 168.723 -11.082 2.786 1.00 0.00 H new ATOM 0 HA PHE A 101 169.751 -8.327 3.153 1.00 0.00 H new ATOM 0 HB2 PHE A 101 168.402 -7.668 1.266 1.00 0.00 H new ATOM 0 HB3 PHE A 101 169.424 -9.002 0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 101 168.388 -11.357 0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 101 166.065 -7.797 1.023 1.00 0.00 H new ATOM 0 HE1 PHE A 101 166.405 -12.594 -0.008 1.00 0.00 H new ATOM 0 HE2 PHE A 101 164.080 -9.031 0.268 1.00 0.00 H new ATOM 0 HZ PHE A 101 164.246 -11.433 -0.249 1.00 0.00 H new ATOM 1589 N HIS A 102 167.718 -7.544 4.368 1.00 0.00 N ATOM 1590 CA HIS A 102 166.617 -7.159 5.244 1.00 0.00 C ATOM 1591 C HIS A 102 166.232 -5.701 5.010 1.00 0.00 C ATOM 1592 O HIS A 102 167.085 -4.813 5.007 1.00 0.00 O ATOM 1593 CB HIS A 102 166.959 -7.394 6.726 1.00 0.00 C ATOM 1594 CG HIS A 102 168.426 -7.498 7.038 1.00 0.00 C ATOM 1595 ND1 HIS A 102 169.006 -6.866 8.117 1.00 0.00 N ATOM 1596 CD2 HIS A 102 169.426 -8.182 6.428 1.00 0.00 C ATOM 1597 CE1 HIS A 102 170.295 -7.154 8.157 1.00 0.00 C ATOM 1598 NE2 HIS A 102 170.574 -7.951 7.144 1.00 0.00 N ATOM 0 H HIS A 102 168.447 -6.837 4.270 1.00 0.00 H new ATOM 0 HA HIS A 102 165.765 -7.793 4.998 1.00 0.00 H new ATOM 0 HB2 HIS A 102 166.536 -6.579 7.313 1.00 0.00 H new ATOM 0 HB3 HIS A 102 166.469 -8.311 7.054 1.00 0.00 H new ATOM 0 HD2 HIS A 102 169.336 -8.795 5.543 1.00 0.00 H new ATOM 0 HE1 HIS A 102 171.000 -6.798 8.894 1.00 0.00 H new ATOM 0 HE2 HIS A 102 171.494 -8.334 6.928 1.00 0.00 H new ATOM 1607 N VAL A 103 164.939 -5.468 4.800 1.00 0.00 N ATOM 1608 CA VAL A 103 164.442 -4.119 4.548 1.00 0.00 C ATOM 1609 C VAL A 103 163.379 -3.690 5.552 1.00 0.00 C ATOM 1610 O VAL A 103 162.516 -4.476 5.941 1.00 0.00 O ATOM 1611 CB VAL A 103 163.865 -3.978 3.124 1.00 0.00 C ATOM 1612 CG1 VAL A 103 162.605 -4.817 2.949 1.00 0.00 C ATOM 1613 CG2 VAL A 103 163.583 -2.516 2.810 1.00 0.00 C ATOM 0 H VAL A 103 164.220 -6.192 4.799 1.00 0.00 H new ATOM 0 HA VAL A 103 165.308 -3.466 4.656 1.00 0.00 H new ATOM 0 HB VAL A 103 164.610 -4.350 2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 103 162.224 -4.695 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 103 162.840 -5.867 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 103 161.848 -4.490 3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 103 163.176 -2.432 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 103 162.862 -2.123 3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 103 164.509 -1.944 2.876 1.00 0.00 H new ATOM 1623 N ILE A 104 163.444 -2.425 5.950 1.00 0.00 N ATOM 1624 CA ILE A 104 162.477 -1.873 6.890 1.00 0.00 C ATOM 1625 C ILE A 104 161.665 -0.765 6.240 1.00 0.00 C ATOM 1626 O ILE A 104 162.215 0.138 5.610 1.00 0.00 O ATOM 1627 CB ILE A 104 163.135 -1.318 8.167 1.00 0.00 C ATOM 1628 CG1 ILE A 104 164.480 -0.645 7.852 1.00 0.00 C ATOM 1629 CG2 ILE A 104 163.291 -2.428 9.192 1.00 0.00 C ATOM 1630 CD1 ILE A 104 165.648 -1.600 7.741 1.00 0.00 C ATOM 0 H ILE A 104 164.155 -1.764 5.637 1.00 0.00 H new ATOM 0 HA ILE A 104 161.828 -2.702 7.174 1.00 0.00 H new ATOM 0 HB ILE A 104 162.487 -0.550 8.590 1.00 0.00 H new ATOM 0 HG12 ILE A 104 164.386 -0.095 6.916 1.00 0.00 H new ATOM 0 HG13 ILE A 104 164.697 0.086 8.631 1.00 0.00 H new ATOM 0 HG21 ILE A 104 163.757 -2.029 10.093 1.00 0.00 H new ATOM 0 HG22 ILE A 104 162.311 -2.834 9.440 1.00 0.00 H new ATOM 0 HG23 ILE A 104 163.918 -3.219 8.779 1.00 0.00 H new ATOM 0 HD11 ILE A 104 166.556 -1.040 7.517 1.00 0.00 H new ATOM 0 HD12 ILE A 104 165.773 -2.133 8.684 1.00 0.00 H new ATOM 0 HD13 ILE A 104 165.457 -2.317 6.942 1.00 0.00 H new ATOM 1642 N TRP A 105 160.351 -0.838 6.404 1.00 0.00 N ATOM 1643 CA TRP A 105 159.460 0.167 5.836 1.00 0.00 C ATOM 1644 C TRP A 105 158.871 1.050 6.930 1.00 0.00 C ATOM 1645 O TRP A 105 158.676 0.607 8.063 1.00 0.00 O ATOM 1646 CB TRP A 105 158.326 -0.485 5.042 1.00 0.00 C ATOM 1647 CG TRP A 105 158.765 -1.602 4.140 1.00 0.00 C ATOM 1648 CD1 TRP A 105 158.637 -2.942 4.372 1.00 0.00 C ATOM 1649 CD2 TRP A 105 159.385 -1.477 2.854 1.00 0.00 C ATOM 1650 NE1 TRP A 105 159.131 -3.655 3.306 1.00 0.00 N ATOM 1651 CE2 TRP A 105 159.595 -2.779 2.363 1.00 0.00 C ATOM 1652 CE3 TRP A 105 159.781 -0.393 2.068 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 160.177 -3.022 1.122 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 160.359 -0.634 0.840 1.00 0.00 C ATOM 1655 CH2 TRP A 105 160.550 -1.940 0.374 1.00 0.00 C ATOM 0 H TRP A 105 159.879 -1.579 6.923 1.00 0.00 H new ATOM 0 HA TRP A 105 160.053 0.783 5.160 1.00 0.00 H new ATOM 0 HB2 TRP A 105 157.583 -0.869 5.741 1.00 0.00 H new ATOM 0 HB3 TRP A 105 157.833 0.279 4.441 1.00 0.00 H new ATOM 0 HD1 TRP A 105 158.210 -3.378 5.263 1.00 0.00 H new ATOM 0 HE1 TRP A 105 159.149 -4.672 3.230 1.00 0.00 H new ATOM 0 HE3 TRP A 105 159.637 0.619 2.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 160.328 -4.029 0.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 160.670 0.199 0.227 1.00 0.00 H new ATOM 0 HH2 TRP A 105 161.001 -2.096 -0.595 1.00 0.00 H new ATOM 1666 N LYS A 106 158.585 2.298 6.581 1.00 0.00 N ATOM 1667 CA LYS A 106 158.013 3.247 7.527 1.00 0.00 C ATOM 1668 C LYS A 106 156.655 2.764 8.027 1.00 0.00 C ATOM 1669 O LYS A 106 156.007 1.934 7.390 1.00 0.00 O ATOM 1670 CB LYS A 106 157.872 4.618 6.868 1.00 0.00 C ATOM 1671 CG LYS A 106 158.990 5.584 7.228 1.00 0.00 C ATOM 1672 CD LYS A 106 158.534 7.030 7.123 1.00 0.00 C ATOM 1673 CE LYS A 106 157.985 7.539 8.446 1.00 0.00 C ATOM 1674 NZ LYS A 106 156.496 7.549 8.463 1.00 0.00 N ATOM 0 H LYS A 106 158.740 2.677 5.647 1.00 0.00 H new ATOM 0 HA LYS A 106 158.683 3.327 8.383 1.00 0.00 H new ATOM 0 HB2 LYS A 106 157.847 4.491 5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 106 156.917 5.056 7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 106 159.333 5.383 8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 106 159.840 5.421 6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 106 159.371 7.655 6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 106 157.768 7.116 6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 106 158.353 6.911 9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 106 158.357 8.547 8.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 156.162 8.071 9.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 156.142 8.012 7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 156.143 6.572 8.501 1.00 0.00 H new ATOM 1688 N LYS A 107 156.230 3.291 9.171 1.00 0.00 N ATOM 1689 CA LYS A 107 154.948 2.915 9.755 1.00 0.00 C ATOM 1690 C LYS A 107 154.106 4.150 10.062 1.00 0.00 C ATOM 1691 O LYS A 107 154.698 5.212 10.345 1.00 0.00 O ATOM 1692 CB LYS A 107 155.164 2.100 11.032 1.00 0.00 C ATOM 1693 CG LYS A 107 155.828 2.885 12.151 1.00 0.00 C ATOM 1694 CD LYS A 107 155.748 2.143 13.476 1.00 0.00 C ATOM 1695 CE LYS A 107 157.063 1.459 13.812 1.00 0.00 C ATOM 1696 NZ LYS A 107 157.972 2.350 14.585 1.00 0.00 N ATOM 1697 OXT LYS A 107 152.863 4.044 10.015 1.00 0.00 O ATOM 0 H LYS A 107 156.754 3.979 9.711 1.00 0.00 H new ATOM 0 HA LYS A 107 154.412 2.304 9.029 1.00 0.00 H new ATOM 0 HB2 LYS A 107 154.201 1.728 11.382 1.00 0.00 H new ATOM 0 HB3 LYS A 107 155.776 1.229 10.798 1.00 0.00 H new ATOM 0 HG2 LYS A 107 156.872 3.069 11.898 1.00 0.00 H new ATOM 0 HG3 LYS A 107 155.348 3.859 12.248 1.00 0.00 H new ATOM 0 HD2 LYS A 107 155.487 2.842 14.270 1.00 0.00 H new ATOM 0 HD3 LYS A 107 154.952 1.400 13.431 1.00 0.00 H new ATOM 0 HE2 LYS A 107 156.865 0.555 14.388 1.00 0.00 H new ATOM 0 HE3 LYS A 107 157.556 1.149 12.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 158.857 1.846 14.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 158.182 3.201 14.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 157.512 2.626 15.476 1.00 0.00 H new TER 1711 LYS A 107