USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 742 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 47 CYS SG : rot 12:sc= 1.01 USER MOD Set 2.2: A 51 THR OG1 : rot -72:sc= 2.13 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 8 THR OG1 : rot -140:sc= 0.00161 USER MOD Set 4.2: A 86 ASN : amide:sc= -7.31! C(o=-7.3!,f=-14!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 10:sc= 0.231 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -120:sc= -4.04! (180deg=-8.48!) USER MOD Single : A 33 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.59) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.481 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.882 USER MOD Single : A 58 ASN : amide:sc= -3.14! C(o=-3.1!,f=-3.1!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.089 USER MOD Single : A 66 LYS NZ :NH3+ -130:sc= -1.41 (180deg=-3.97!) USER MOD Single : A 70 THR OG1 : rot 26:sc= 0.253 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -128:sc= 0.038 (180deg=0) USER MOD Single : A 91 SER OG : rot 130:sc= -0.698 USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00341) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.0305 K(o=-0.031,f=-1.3) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -20.162 -2.609 0.222 1.00 0.00 N ATOM 60 CA GLY A 7 -20.948 -1.431 0.535 1.00 0.00 C ATOM 61 C GLY A 7 -20.095 -0.276 1.021 1.00 0.00 C ATOM 62 O GLY A 7 -20.611 0.789 1.359 1.00 0.00 O ATOM 0 HA2 GLY A 7 -21.502 -1.122 -0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.684 -1.682 1.299 1.00 0.00 H new ATOM 66 N THR A 8 -18.783 -0.487 1.059 1.00 0.00 N ATOM 67 CA THR A 8 -17.856 0.543 1.510 1.00 0.00 C ATOM 68 C THR A 8 -17.001 1.057 0.357 1.00 0.00 C ATOM 69 O THR A 8 -16.695 0.318 -0.579 1.00 0.00 O ATOM 70 CB THR A 8 -16.931 0.018 2.625 1.00 0.00 C ATOM 71 OG1 THR A 8 -16.695 -1.383 2.445 1.00 0.00 O ATOM 72 CG2 THR A 8 -17.543 0.263 3.996 1.00 0.00 C ATOM 0 H THR A 8 -18.339 -1.362 0.783 1.00 0.00 H new ATOM 0 HA THR A 8 -18.460 1.360 1.904 1.00 0.00 H new ATOM 0 HB THR A 8 -15.985 0.556 2.566 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.704 -1.831 3.317 1.00 0.00 H new ATOM 0 HG21 THR A 8 -16.872 -0.116 4.767 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.695 1.333 4.141 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.501 -0.252 4.064 1.00 0.00 H new ATOM 80 N SER A 9 -16.619 2.328 0.431 1.00 0.00 N ATOM 81 CA SER A 9 -15.802 2.942 -0.609 1.00 0.00 C ATOM 82 C SER A 9 -14.339 2.533 -0.463 1.00 0.00 C ATOM 83 O SER A 9 -13.847 2.272 0.635 1.00 0.00 O ATOM 84 CB SER A 9 -15.925 4.466 -0.551 1.00 0.00 C ATOM 85 OG SER A 9 -17.011 4.920 -1.339 1.00 0.00 O ATOM 0 H SER A 9 -16.862 2.952 1.200 1.00 0.00 H new ATOM 0 HA SER A 9 -16.165 2.592 -1.575 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.064 4.784 0.482 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.000 4.922 -0.903 1.00 0.00 H new ATOM 0 HG SER A 9 -17.069 5.897 -1.284 1.00 0.00 H new ATOM 91 N PRO A 10 -13.626 2.474 -1.598 1.00 0.00 N ATOM 92 CA PRO A 10 -12.210 2.097 -1.624 1.00 0.00 C ATOM 93 C PRO A 10 -11.315 3.164 -1.002 1.00 0.00 C ATOM 94 O PRO A 10 -11.739 4.290 -0.741 1.00 0.00 O ATOM 95 CB PRO A 10 -11.909 1.952 -3.118 1.00 0.00 C ATOM 96 CG PRO A 10 -12.909 2.827 -3.793 1.00 0.00 C ATOM 97 CD PRO A 10 -14.148 2.771 -2.943 1.00 0.00 C ATOM 0 HA PRO A 10 -12.018 1.193 -1.047 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.890 2.264 -3.349 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.006 0.916 -3.443 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.539 3.849 -3.878 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.114 2.477 -4.805 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.692 3.715 -2.963 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.836 1.999 -3.286 1.00 0.00 H new ATOM 105 N PRO A 11 -10.046 2.804 -0.758 1.00 0.00 N ATOM 106 CA PRO A 11 -9.064 3.717 -0.164 1.00 0.00 C ATOM 107 C PRO A 11 -8.666 4.839 -1.116 1.00 0.00 C ATOM 108 O PRO A 11 -8.428 4.607 -2.302 1.00 0.00 O ATOM 109 CB PRO A 11 -7.866 2.810 0.124 1.00 0.00 C ATOM 110 CG PRO A 11 -7.995 1.690 -0.850 1.00 0.00 C ATOM 111 CD PRO A 11 -9.471 1.479 -1.044 1.00 0.00 C ATOM 0 HA PRO A 11 -9.457 4.220 0.719 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.925 3.343 -0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.884 2.445 1.151 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.508 1.936 -1.794 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.518 0.786 -0.471 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.700 1.152 -2.058 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.860 0.718 -0.368 1.00 0.00 H new ATOM 119 N THR A 12 -8.596 6.058 -0.590 1.00 0.00 N ATOM 120 CA THR A 12 -8.228 7.217 -1.394 1.00 0.00 C ATOM 121 C THR A 12 -7.078 7.987 -0.753 1.00 0.00 C ATOM 122 O THR A 12 -6.712 7.735 0.396 1.00 0.00 O ATOM 123 CB THR A 12 -9.423 8.169 -1.587 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.973 8.529 -0.315 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.498 7.521 -2.446 1.00 0.00 C ATOM 0 H THR A 12 -8.789 6.268 0.389 1.00 0.00 H new ATOM 0 HA THR A 12 -7.913 6.840 -2.367 1.00 0.00 H new ATOM 0 HB THR A 12 -9.067 9.065 -2.095 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.731 9.136 -0.446 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.332 8.212 -2.568 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.084 7.276 -3.424 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.850 6.610 -1.962 1.00 0.00 H new ATOM 133 N LEU A 13 -6.511 8.926 -1.503 1.00 0.00 N ATOM 134 CA LEU A 13 -5.402 9.734 -1.008 1.00 0.00 C ATOM 135 C LEU A 13 -4.197 8.859 -0.676 1.00 0.00 C ATOM 136 O LEU A 13 -3.632 8.950 0.414 1.00 0.00 O ATOM 137 CB LEU A 13 -5.832 10.520 0.232 1.00 0.00 C ATOM 138 CG LEU A 13 -6.998 11.491 0.040 1.00 0.00 C ATOM 139 CD1 LEU A 13 -7.143 12.397 1.252 1.00 0.00 C ATOM 140 CD2 LEU A 13 -6.804 12.315 -1.224 1.00 0.00 C ATOM 0 H LEU A 13 -6.801 9.146 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.115 10.433 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.102 9.809 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.973 11.083 0.597 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.915 10.911 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.977 13.081 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.330 11.791 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.226 12.969 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.643 13.000 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.878 12.885 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.751 11.651 -2.087 1.00 0.00 H new ATOM 152 N LEU A 14 -3.807 8.015 -1.625 1.00 0.00 N ATOM 153 CA LEU A 14 -2.666 7.125 -1.435 1.00 0.00 C ATOM 154 C LEU A 14 -1.384 7.764 -1.960 1.00 0.00 C ATOM 155 O LEU A 14 -1.259 8.045 -3.152 1.00 0.00 O ATOM 156 CB LEU A 14 -2.911 5.792 -2.143 1.00 0.00 C ATOM 157 CG LEU A 14 -1.797 4.752 -2.021 1.00 0.00 C ATOM 158 CD1 LEU A 14 -0.787 4.917 -3.147 1.00 0.00 C ATOM 159 CD2 LEU A 14 -1.110 4.862 -0.667 1.00 0.00 C ATOM 0 H LEU A 14 -4.263 7.928 -2.533 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.550 6.946 -0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.830 5.358 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.080 5.991 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.242 3.760 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.002 4.168 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.288 4.788 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.347 5.913 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.320 4.114 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.678 5.857 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.839 4.694 0.126 1.00 0.00 H new ATOM 171 N THR A 15 -0.431 7.991 -1.061 1.00 0.00 N ATOM 172 CA THR A 15 0.842 8.595 -1.432 1.00 0.00 C ATOM 173 C THR A 15 1.975 8.074 -0.555 1.00 0.00 C ATOM 174 O THR A 15 1.753 7.667 0.585 1.00 0.00 O ATOM 175 CB THR A 15 0.788 10.130 -1.323 1.00 0.00 C ATOM 176 OG1 THR A 15 0.056 10.675 -2.427 1.00 0.00 O ATOM 177 CG2 THR A 15 2.190 10.721 -1.297 1.00 0.00 C ATOM 0 H THR A 15 -0.517 7.765 -0.070 1.00 0.00 H new ATOM 0 HA THR A 15 1.033 8.318 -2.469 1.00 0.00 H new ATOM 0 HB THR A 15 0.285 10.388 -0.391 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.388 9.950 -2.915 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.126 11.806 -1.220 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.735 10.328 -0.439 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.715 10.453 -2.214 1.00 0.00 H new ATOM 185 N VAL A 16 3.190 8.090 -1.094 1.00 0.00 N ATOM 186 CA VAL A 16 4.358 7.620 -0.359 1.00 0.00 C ATOM 187 C VAL A 16 4.884 8.697 0.584 1.00 0.00 C ATOM 188 O VAL A 16 5.505 9.668 0.149 1.00 0.00 O ATOM 189 CB VAL A 16 5.489 7.194 -1.315 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.546 6.395 -0.569 1.00 0.00 C ATOM 191 CG2 VAL A 16 4.927 6.394 -2.481 1.00 0.00 C ATOM 0 H VAL A 16 3.391 8.423 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 16 4.039 6.755 0.223 1.00 0.00 H new ATOM 0 HB VAL A 16 5.962 8.091 -1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.336 6.103 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.969 7.006 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.091 5.502 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.739 6.101 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.428 5.502 -2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.211 7.005 -3.030 1.00 0.00 H new ATOM 201 N ASP A 17 4.632 8.519 1.875 1.00 0.00 N ATOM 202 CA ASP A 17 5.081 9.474 2.881 1.00 0.00 C ATOM 203 C ASP A 17 6.602 9.583 2.886 1.00 0.00 C ATOM 204 O ASP A 17 7.161 10.629 2.555 1.00 0.00 O ATOM 205 CB ASP A 17 4.582 9.061 4.267 1.00 0.00 C ATOM 206 CG ASP A 17 4.401 10.246 5.195 1.00 0.00 C ATOM 207 OD1 ASP A 17 3.566 11.120 4.884 1.00 0.00 O ATOM 208 OD2 ASP A 17 5.097 10.301 6.231 1.00 0.00 O ATOM 0 H ASP A 17 4.119 7.722 2.250 1.00 0.00 H new ATOM 0 HA ASP A 17 4.666 10.450 2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.633 8.534 4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.290 8.361 4.711 1.00 0.00 H new ATOM 213 N SER A 18 7.267 8.497 3.266 1.00 0.00 N ATOM 214 CA SER A 18 8.724 8.472 3.319 1.00 0.00 C ATOM 215 C SER A 18 9.280 7.342 2.456 1.00 0.00 C ATOM 216 O SER A 18 8.527 6.539 1.905 1.00 0.00 O ATOM 217 CB SER A 18 9.200 8.307 4.763 1.00 0.00 C ATOM 218 OG SER A 18 9.364 9.566 5.393 1.00 0.00 O ATOM 0 H SER A 18 6.820 7.623 3.542 1.00 0.00 H new ATOM 0 HA SER A 18 9.093 9.420 2.928 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.479 7.709 5.321 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.145 7.764 4.778 1.00 0.00 H new ATOM 0 HG SER A 18 9.667 9.433 6.315 1.00 0.00 H new ATOM 224 N VAL A 19 10.603 7.288 2.344 1.00 0.00 N ATOM 225 CA VAL A 19 11.262 6.258 1.550 1.00 0.00 C ATOM 226 C VAL A 19 12.711 6.071 1.985 1.00 0.00 C ATOM 227 O VAL A 19 13.470 7.035 2.087 1.00 0.00 O ATOM 228 CB VAL A 19 11.228 6.599 0.049 1.00 0.00 C ATOM 229 CG1 VAL A 19 12.196 5.715 -0.722 1.00 0.00 C ATOM 230 CG2 VAL A 19 9.815 6.459 -0.497 1.00 0.00 C ATOM 0 H VAL A 19 11.240 7.946 2.793 1.00 0.00 H new ATOM 0 HA VAL A 19 10.714 5.331 1.717 1.00 0.00 H new ATOM 0 HB VAL A 19 11.541 7.635 -0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.158 5.971 -1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.208 5.870 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.917 4.669 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.809 6.704 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.472 5.434 -0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.150 7.139 0.036 1.00 0.00 H new ATOM 240 N THR A 20 13.090 4.823 2.242 1.00 0.00 N ATOM 241 CA THR A 20 14.448 4.508 2.667 1.00 0.00 C ATOM 242 C THR A 20 15.059 3.419 1.793 1.00 0.00 C ATOM 243 O THR A 20 14.348 2.571 1.253 1.00 0.00 O ATOM 244 CB THR A 20 14.485 4.052 4.137 1.00 0.00 C ATOM 245 OG1 THR A 20 13.451 4.708 4.880 1.00 0.00 O ATOM 246 CG2 THR A 20 15.837 4.357 4.765 1.00 0.00 C ATOM 0 H THR A 20 12.475 4.013 2.163 1.00 0.00 H new ATOM 0 HA THR A 20 15.032 5.423 2.564 1.00 0.00 H new ATOM 0 HB THR A 20 14.324 2.974 4.163 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.480 4.411 5.814 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.839 4.026 5.803 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.620 3.834 4.216 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.022 5.430 4.726 1.00 0.00 H new ATOM 254 N ASP A 21 16.380 3.447 1.659 1.00 0.00 N ATOM 255 CA ASP A 21 17.088 2.460 0.851 1.00 0.00 C ATOM 256 C ASP A 21 16.968 1.068 1.466 1.00 0.00 C ATOM 257 O ASP A 21 17.414 0.079 0.883 1.00 0.00 O ATOM 258 CB ASP A 21 18.562 2.844 0.713 1.00 0.00 C ATOM 259 CG ASP A 21 19.223 3.093 2.054 1.00 0.00 C ATOM 260 OD1 ASP A 21 18.586 3.725 2.922 1.00 0.00 O ATOM 261 OD2 ASP A 21 20.379 2.655 2.236 1.00 0.00 O ATOM 0 H ASP A 21 16.983 4.142 2.099 1.00 0.00 H new ATOM 0 HA ASP A 21 16.631 2.442 -0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 21 19.094 2.049 0.191 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.645 3.740 0.098 1.00 0.00 H new ATOM 266 N THR A 22 16.362 0.999 2.647 1.00 0.00 N ATOM 267 CA THR A 22 16.185 -0.270 3.342 1.00 0.00 C ATOM 268 C THR A 22 14.718 -0.684 3.365 1.00 0.00 C ATOM 269 O THR A 22 14.398 -1.873 3.393 1.00 0.00 O ATOM 270 CB THR A 22 16.709 -0.196 4.789 1.00 0.00 C ATOM 271 OG1 THR A 22 15.779 0.518 5.610 1.00 0.00 O ATOM 272 CG2 THR A 22 18.067 0.488 4.839 1.00 0.00 C ATOM 0 H THR A 22 15.985 1.807 3.142 1.00 0.00 H new ATOM 0 HA THR A 22 16.761 -1.015 2.793 1.00 0.00 H new ATOM 0 HB THR A 22 16.819 -1.213 5.165 1.00 0.00 H new ATOM 0 HG1 THR A 22 16.118 0.559 6.529 1.00 0.00 H new ATOM 0 HG21 THR A 22 18.416 0.528 5.871 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.780 -0.074 4.236 1.00 0.00 H new ATOM 0 HG23 THR A 22 17.979 1.501 4.446 1.00 0.00 H new ATOM 280 N THR A 23 13.829 0.303 3.352 1.00 0.00 N ATOM 281 CA THR A 23 12.395 0.041 3.372 1.00 0.00 C ATOM 282 C THR A 23 11.611 1.235 2.840 1.00 0.00 C ATOM 283 O THR A 23 12.157 2.325 2.672 1.00 0.00 O ATOM 284 CB THR A 23 11.904 -0.289 4.795 1.00 0.00 C ATOM 285 OG1 THR A 23 12.391 0.689 5.720 1.00 0.00 O ATOM 286 CG2 THR A 23 12.370 -1.673 5.220 1.00 0.00 C ATOM 0 H THR A 23 14.076 1.292 3.328 1.00 0.00 H new ATOM 0 HA THR A 23 12.222 -0.820 2.727 1.00 0.00 H new ATOM 0 HB THR A 23 10.814 -0.275 4.793 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.073 0.473 6.622 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.012 -1.884 6.228 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.974 -2.418 4.530 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.459 -1.710 5.207 1.00 0.00 H new ATOM 294 N VAL A 24 10.325 1.023 2.578 1.00 0.00 N ATOM 295 CA VAL A 24 9.464 2.082 2.066 1.00 0.00 C ATOM 296 C VAL A 24 8.318 2.372 3.029 1.00 0.00 C ATOM 297 O VAL A 24 8.045 1.591 3.941 1.00 0.00 O ATOM 298 CB VAL A 24 8.882 1.717 0.688 1.00 0.00 C ATOM 299 CG1 VAL A 24 9.982 1.672 -0.362 1.00 0.00 C ATOM 300 CG2 VAL A 24 8.145 0.388 0.757 1.00 0.00 C ATOM 0 H VAL A 24 9.857 0.127 2.712 1.00 0.00 H new ATOM 0 HA VAL A 24 10.085 2.972 1.965 1.00 0.00 H new ATOM 0 HB VAL A 24 8.168 2.488 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.551 1.412 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.462 2.649 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.722 0.923 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.740 0.145 -0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.836 -0.395 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.330 0.461 1.477 1.00 0.00 H new ATOM 310 N THR A 25 7.648 3.502 2.821 1.00 0.00 N ATOM 311 CA THR A 25 6.532 3.896 3.670 1.00 0.00 C ATOM 312 C THR A 25 5.346 4.367 2.836 1.00 0.00 C ATOM 313 O THR A 25 5.440 5.357 2.110 1.00 0.00 O ATOM 314 CB THR A 25 6.937 5.017 4.646 1.00 0.00 C ATOM 315 OG1 THR A 25 7.970 4.554 5.523 1.00 0.00 O ATOM 316 CG2 THR A 25 5.741 5.481 5.463 1.00 0.00 C ATOM 0 H THR A 25 7.860 4.160 2.071 1.00 0.00 H new ATOM 0 HA THR A 25 6.243 3.014 4.241 1.00 0.00 H new ATOM 0 HB THR A 25 7.308 5.860 4.063 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.223 5.273 6.139 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.051 6.273 6.145 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.969 5.860 4.794 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.345 4.643 6.036 1.00 0.00 H new ATOM 324 N MET A 26 4.231 3.654 2.945 1.00 0.00 N ATOM 325 CA MET A 26 3.025 4.001 2.201 1.00 0.00 C ATOM 326 C MET A 26 1.897 4.398 3.149 1.00 0.00 C ATOM 327 O MET A 26 1.453 3.595 3.970 1.00 0.00 O ATOM 328 CB MET A 26 2.583 2.826 1.327 1.00 0.00 C ATOM 329 CG MET A 26 3.656 2.351 0.360 1.00 0.00 C ATOM 330 SD MET A 26 4.021 3.565 -0.923 1.00 0.00 S ATOM 331 CE MET A 26 2.408 3.754 -1.679 1.00 0.00 C ATOM 0 H MET A 26 4.137 2.832 3.541 1.00 0.00 H new ATOM 0 HA MET A 26 3.255 4.853 1.561 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.291 1.995 1.970 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.698 3.117 0.761 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.568 2.129 0.915 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.333 1.421 -0.107 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.465 3.476 -2.731 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.691 3.109 -1.172 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.086 4.792 -1.595 1.00 0.00 H new ATOM 341 N ARG A 27 1.439 5.639 3.029 1.00 0.00 N ATOM 342 CA ARG A 27 0.364 6.142 3.876 1.00 0.00 C ATOM 343 C ARG A 27 -0.920 6.326 3.072 1.00 0.00 C ATOM 344 O ARG A 27 -0.881 6.527 1.858 1.00 0.00 O ATOM 345 CB ARG A 27 0.771 7.469 4.519 1.00 0.00 C ATOM 346 CG ARG A 27 0.588 8.670 3.605 1.00 0.00 C ATOM 347 CD ARG A 27 -0.793 9.286 3.764 1.00 0.00 C ATOM 348 NE ARG A 27 -1.053 9.700 5.141 1.00 0.00 N ATOM 349 CZ ARG A 27 -0.444 10.725 5.727 1.00 0.00 C ATOM 350 NH1 ARG A 27 0.454 11.436 5.061 1.00 0.00 N ATOM 351 NH2 ARG A 27 -0.734 11.040 6.983 1.00 0.00 N ATOM 0 H ARG A 27 1.795 6.315 2.354 1.00 0.00 H new ATOM 0 HA ARG A 27 0.179 5.408 4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.184 7.619 5.425 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.816 7.410 4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.349 9.418 3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.735 8.366 2.569 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.884 10.148 3.103 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.549 8.565 3.453 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.739 9.173 5.682 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.680 11.197 4.095 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.920 12.222 5.514 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.425 10.495 7.499 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.266 11.827 7.432 1.00 0.00 H new ATOM 365 N TRP A 28 -2.056 6.257 3.758 1.00 0.00 N ATOM 366 CA TRP A 28 -3.352 6.416 3.107 1.00 0.00 C ATOM 367 C TRP A 28 -4.420 6.826 4.115 1.00 0.00 C ATOM 368 O TRP A 28 -4.186 6.806 5.324 1.00 0.00 O ATOM 369 CB TRP A 28 -3.760 5.115 2.414 1.00 0.00 C ATOM 370 CG TRP A 28 -4.017 3.988 3.368 1.00 0.00 C ATOM 371 CD1 TRP A 28 -5.201 3.683 3.976 1.00 0.00 C ATOM 372 CD2 TRP A 28 -3.068 3.019 3.825 1.00 0.00 C ATOM 373 NE1 TRP A 28 -5.045 2.582 4.783 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.746 2.155 4.708 1.00 0.00 C ATOM 375 CE3 TRP A 28 -1.712 2.795 3.573 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -3.112 1.088 5.338 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -1.084 1.735 4.200 1.00 0.00 C ATOM 378 CH2 TRP A 28 -1.784 0.892 5.073 1.00 0.00 C ATOM 0 H TRP A 28 -2.106 6.092 4.763 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.262 7.205 2.360 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.658 5.293 1.823 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.974 4.820 1.718 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.124 4.227 3.842 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.778 2.152 5.347 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.164 3.438 2.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.649 0.438 6.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.036 1.554 4.014 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.265 0.071 5.546 1.00 0.00 H new ATOM 389 N ARG A 29 -5.591 7.198 3.611 1.00 0.00 N ATOM 390 CA ARG A 29 -6.695 7.614 4.468 1.00 0.00 C ATOM 391 C ARG A 29 -7.922 6.736 4.239 1.00 0.00 C ATOM 392 O ARG A 29 -8.045 6.052 3.223 1.00 0.00 O ATOM 393 CB ARG A 29 -7.047 9.079 4.207 1.00 0.00 C ATOM 394 CG ARG A 29 -6.282 10.056 5.085 1.00 0.00 C ATOM 395 CD ARG A 29 -7.010 11.385 5.206 1.00 0.00 C ATOM 396 NE ARG A 29 -8.159 11.300 6.104 1.00 0.00 N ATOM 397 CZ ARG A 29 -8.993 12.309 6.327 1.00 0.00 C ATOM 398 NH1 ARG A 29 -8.807 13.474 5.722 1.00 0.00 N ATOM 399 NH2 ARG A 29 -10.016 12.154 7.158 1.00 0.00 N ATOM 0 H ARG A 29 -5.801 7.220 2.613 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.379 7.503 5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.847 9.311 3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.116 9.221 4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.144 9.624 6.076 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.289 10.221 4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.319 12.145 5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.344 11.707 4.219 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.330 10.418 6.586 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.021 13.597 5.083 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.449 14.247 5.895 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.162 11.259 7.626 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.656 12.929 7.329 1.00 0.00 H new ATOM 413 N PRO A 30 -8.851 6.754 5.206 1.00 0.00 N ATOM 414 CA PRO A 30 -10.085 5.966 5.133 1.00 0.00 C ATOM 415 C PRO A 30 -11.043 6.486 4.066 1.00 0.00 C ATOM 416 O PRO A 30 -10.896 7.595 3.554 1.00 0.00 O ATOM 417 CB PRO A 30 -10.695 6.132 6.527 1.00 0.00 C ATOM 418 CG PRO A 30 -10.151 7.426 7.027 1.00 0.00 C ATOM 419 CD PRO A 30 -8.770 7.547 6.444 1.00 0.00 C ATOM 0 HA PRO A 30 -9.891 4.929 4.859 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.784 6.151 6.483 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.417 5.306 7.182 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.780 8.260 6.716 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.117 7.440 8.116 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.510 8.586 6.240 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.012 7.156 7.123 1.00 0.00 H new ATOM 427 N PRO A 31 -12.049 5.667 3.723 1.00 0.00 N ATOM 428 CA PRO A 31 -13.051 6.024 2.715 1.00 0.00 C ATOM 429 C PRO A 31 -13.985 7.131 3.193 1.00 0.00 C ATOM 430 O PRO A 31 -13.911 7.565 4.343 1.00 0.00 O ATOM 431 CB PRO A 31 -13.828 4.721 2.510 1.00 0.00 C ATOM 432 CG PRO A 31 -13.654 3.972 3.786 1.00 0.00 C ATOM 433 CD PRO A 31 -12.285 4.330 4.294 1.00 0.00 C ATOM 0 HA PRO A 31 -12.593 6.411 1.805 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.881 4.916 2.306 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.438 4.156 1.663 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.422 4.248 4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.741 2.898 3.623 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.252 4.347 5.383 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.533 3.613 3.963 1.00 0.00 H new ATOM 441 N ASP A 32 -14.863 7.583 2.304 1.00 0.00 N ATOM 442 CA ASP A 32 -15.812 8.638 2.636 1.00 0.00 C ATOM 443 C ASP A 32 -16.509 8.346 3.961 1.00 0.00 C ATOM 444 O ASP A 32 -16.731 9.247 4.770 1.00 0.00 O ATOM 445 CB ASP A 32 -16.850 8.789 1.522 1.00 0.00 C ATOM 446 CG ASP A 32 -17.964 9.748 1.894 1.00 0.00 C ATOM 447 OD1 ASP A 32 -17.700 10.692 2.668 1.00 0.00 O ATOM 448 OD2 ASP A 32 -19.098 9.554 1.410 1.00 0.00 O ATOM 0 H ASP A 32 -14.937 7.235 1.348 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.258 9.572 2.736 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.358 9.143 0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.277 7.813 1.292 1.00 0.00 H new ATOM 453 N HIS A 33 -16.854 7.080 4.175 1.00 0.00 N ATOM 454 CA HIS A 33 -17.527 6.668 5.402 1.00 0.00 C ATOM 455 C HIS A 33 -17.665 5.150 5.463 1.00 0.00 C ATOM 456 O HIS A 33 -17.655 4.475 4.433 1.00 0.00 O ATOM 457 CB HIS A 33 -18.906 7.322 5.496 1.00 0.00 C ATOM 458 CG HIS A 33 -19.465 7.343 6.886 1.00 0.00 C ATOM 459 ND1 HIS A 33 -18.680 7.486 8.011 1.00 0.00 N ATOM 460 CD2 HIS A 33 -20.740 7.240 7.329 1.00 0.00 C ATOM 461 CE1 HIS A 33 -19.448 7.468 9.085 1.00 0.00 C ATOM 462 NE2 HIS A 33 -20.703 7.320 8.699 1.00 0.00 N ATOM 0 H HIS A 33 -16.679 6.322 3.515 1.00 0.00 H new ATOM 0 HA HIS A 33 -16.920 6.994 6.247 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -18.840 8.344 5.124 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -19.597 6.789 4.843 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -21.622 7.118 6.718 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -19.108 7.559 10.106 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -21.512 7.273 9.318 1.00 0.00 H new ATOM 471 N ILE A 34 -17.794 4.621 6.675 1.00 0.00 N ATOM 472 CA ILE A 34 -17.934 3.183 6.869 1.00 0.00 C ATOM 473 C ILE A 34 -19.372 2.813 7.216 1.00 0.00 C ATOM 474 O ILE A 34 -19.986 3.419 8.093 1.00 0.00 O ATOM 475 CB ILE A 34 -17.001 2.671 7.982 1.00 0.00 C ATOM 476 CG1 ILE A 34 -15.585 3.216 7.781 1.00 0.00 C ATOM 477 CG2 ILE A 34 -16.990 1.150 8.006 1.00 0.00 C ATOM 478 CD1 ILE A 34 -14.964 2.812 6.463 1.00 0.00 C ATOM 0 H ILE A 34 -17.804 5.166 7.537 1.00 0.00 H new ATOM 0 HA ILE A 34 -17.656 2.709 5.928 1.00 0.00 H new ATOM 0 HB ILE A 34 -17.375 3.027 8.942 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -15.611 4.304 7.843 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -14.950 2.865 8.595 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -16.326 0.803 8.798 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -17.999 0.782 8.191 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -16.637 0.774 7.046 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -13.962 3.233 6.389 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.906 1.725 6.406 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.576 3.186 5.642 1.00 0.00 H new ATOM 517 N GLY A 38 -19.227 -2.422 8.763 1.00 0.00 N ATOM 518 CA GLY A 38 -18.047 -1.774 9.306 1.00 0.00 C ATOM 519 C GLY A 38 -16.822 -1.979 8.438 1.00 0.00 C ATOM 520 O GLY A 38 -16.936 -2.324 7.261 1.00 0.00 O ATOM 0 HA2 GLY A 38 -18.239 -0.706 9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.850 -2.163 10.305 1.00 0.00 H new ATOM 524 N LEU A 39 -15.646 -1.767 9.018 1.00 0.00 N ATOM 525 CA LEU A 39 -14.392 -1.929 8.289 1.00 0.00 C ATOM 526 C LEU A 39 -13.384 -2.727 9.110 1.00 0.00 C ATOM 527 O LEU A 39 -13.241 -2.513 10.315 1.00 0.00 O ATOM 528 CB LEU A 39 -13.807 -0.562 7.931 1.00 0.00 C ATOM 529 CG LEU A 39 -12.353 -0.557 7.459 1.00 0.00 C ATOM 530 CD1 LEU A 39 -12.280 -0.746 5.952 1.00 0.00 C ATOM 531 CD2 LEU A 39 -11.663 0.736 7.871 1.00 0.00 C ATOM 0 H LEU A 39 -15.534 -1.482 9.991 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.602 -2.479 7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.423 -0.119 7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.887 0.085 8.805 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.834 -1.390 7.934 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.237 -0.740 5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.736 -1.699 5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.815 0.065 5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.629 0.722 7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.183 1.584 7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.683 0.829 8.957 1.00 0.00 H new ATOM 543 N ASP A 40 -12.687 -3.645 8.451 1.00 0.00 N ATOM 544 CA ASP A 40 -11.689 -4.472 9.119 1.00 0.00 C ATOM 545 C ASP A 40 -10.333 -4.352 8.430 1.00 0.00 C ATOM 546 O ASP A 40 -10.065 -5.034 7.441 1.00 0.00 O ATOM 547 CB ASP A 40 -12.137 -5.935 9.137 1.00 0.00 C ATOM 548 CG ASP A 40 -13.465 -6.124 9.845 1.00 0.00 C ATOM 549 OD1 ASP A 40 -14.493 -5.657 9.312 1.00 0.00 O ATOM 550 OD2 ASP A 40 -13.475 -6.739 10.932 1.00 0.00 O ATOM 0 H ASP A 40 -12.794 -3.836 7.455 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.588 -4.118 10.145 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.219 -6.300 8.113 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.376 -6.539 9.631 1.00 0.00 H new ATOM 555 N GLY A 41 -9.482 -3.478 8.958 1.00 0.00 N ATOM 556 CA GLY A 41 -8.165 -3.283 8.380 1.00 0.00 C ATOM 557 C GLY A 41 -8.205 -3.177 6.869 1.00 0.00 C ATOM 558 O GLY A 41 -9.276 -3.040 6.277 1.00 0.00 O ATOM 0 H GLY A 41 -9.681 -2.901 9.776 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.721 -2.377 8.793 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.520 -4.114 8.666 1.00 0.00 H new ATOM 562 N TYR A 42 -7.035 -3.238 6.242 1.00 0.00 N ATOM 563 CA TYR A 42 -6.941 -3.143 4.790 1.00 0.00 C ATOM 564 C TYR A 42 -5.908 -4.126 4.246 1.00 0.00 C ATOM 565 O TYR A 42 -5.173 -4.757 5.006 1.00 0.00 O ATOM 566 CB TYR A 42 -6.573 -1.718 4.374 1.00 0.00 C ATOM 567 CG TYR A 42 -7.228 -0.651 5.222 1.00 0.00 C ATOM 568 CD1 TYR A 42 -6.963 -0.558 6.583 1.00 0.00 C ATOM 569 CD2 TYR A 42 -8.112 0.263 4.663 1.00 0.00 C ATOM 570 CE1 TYR A 42 -7.560 0.414 7.362 1.00 0.00 C ATOM 571 CE2 TYR A 42 -8.712 1.240 5.434 1.00 0.00 C ATOM 572 CZ TYR A 42 -8.433 1.311 6.783 1.00 0.00 C ATOM 573 OH TYR A 42 -9.030 2.281 7.555 1.00 0.00 O ATOM 0 H TYR A 42 -6.139 -3.353 6.716 1.00 0.00 H new ATOM 0 HA TYR A 42 -7.915 -3.397 4.371 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.491 -1.600 4.429 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.857 -1.568 3.332 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.279 -1.258 7.039 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.334 0.209 3.607 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.344 0.471 8.419 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.396 1.944 4.983 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.615 2.831 6.994 1.00 0.00 H new ATOM 583 N VAL A 43 -5.859 -4.251 2.924 1.00 0.00 N ATOM 584 CA VAL A 43 -4.917 -5.155 2.276 1.00 0.00 C ATOM 585 C VAL A 43 -3.894 -4.383 1.449 1.00 0.00 C ATOM 586 O VAL A 43 -4.247 -3.480 0.690 1.00 0.00 O ATOM 587 CB VAL A 43 -5.642 -6.163 1.364 1.00 0.00 C ATOM 588 CG1 VAL A 43 -4.640 -7.075 0.673 1.00 0.00 C ATOM 589 CG2 VAL A 43 -6.651 -6.973 2.163 1.00 0.00 C ATOM 0 H VAL A 43 -6.461 -3.737 2.281 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.404 -5.698 3.069 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.182 -5.609 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.171 -7.780 0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.960 -6.476 0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.070 -7.624 1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.154 -7.680 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.136 -7.518 2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.388 -6.302 2.605 1.00 0.00 H new ATOM 599 N LEU A 44 -2.625 -4.744 1.602 1.00 0.00 N ATOM 600 CA LEU A 44 -1.549 -4.086 0.869 1.00 0.00 C ATOM 601 C LEU A 44 -0.558 -5.109 0.321 1.00 0.00 C ATOM 602 O LEU A 44 -0.141 -6.023 1.031 1.00 0.00 O ATOM 603 CB LEU A 44 -0.823 -3.090 1.775 1.00 0.00 C ATOM 604 CG LEU A 44 0.033 -2.039 1.067 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.085 -0.756 1.882 1.00 0.00 C ATOM 606 CD2 LEU A 44 1.436 -2.573 0.819 1.00 0.00 C ATOM 0 H LEU A 44 -2.316 -5.489 2.227 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.990 -3.549 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.566 -2.575 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.184 -3.650 2.458 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.424 -1.815 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.698 -0.020 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.924 -0.364 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.518 -0.964 2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.031 -1.812 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.902 -2.826 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.381 -3.464 0.194 1.00 0.00 H new ATOM 618 N GLU A 45 -0.184 -4.944 -0.944 1.00 0.00 N ATOM 619 CA GLU A 45 0.759 -5.853 -1.585 1.00 0.00 C ATOM 620 C GLU A 45 1.704 -5.092 -2.511 1.00 0.00 C ATOM 621 O GLU A 45 1.442 -3.946 -2.877 1.00 0.00 O ATOM 622 CB GLU A 45 0.009 -6.928 -2.375 1.00 0.00 C ATOM 623 CG GLU A 45 -1.344 -7.286 -1.783 1.00 0.00 C ATOM 624 CD GLU A 45 -2.440 -6.332 -2.216 1.00 0.00 C ATOM 625 OE1 GLU A 45 -2.114 -5.195 -2.616 1.00 0.00 O ATOM 626 OE2 GLU A 45 -3.624 -6.724 -2.155 1.00 0.00 O ATOM 0 H GLU A 45 -0.519 -4.191 -1.544 1.00 0.00 H new ATOM 0 HA GLU A 45 1.350 -6.332 -0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.132 -6.582 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.624 -7.827 -2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.611 -8.300 -2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.273 -7.283 -0.695 1.00 0.00 H new ATOM 633 N TYR A 46 2.803 -5.737 -2.885 1.00 0.00 N ATOM 634 CA TYR A 46 3.789 -5.121 -3.765 1.00 0.00 C ATOM 635 C TYR A 46 4.249 -6.103 -4.838 1.00 0.00 C ATOM 636 O TYR A 46 4.492 -7.278 -4.558 1.00 0.00 O ATOM 637 CB TYR A 46 4.991 -4.632 -2.956 1.00 0.00 C ATOM 638 CG TYR A 46 5.849 -5.750 -2.409 1.00 0.00 C ATOM 639 CD1 TYR A 46 5.459 -6.466 -1.284 1.00 0.00 C ATOM 640 CD2 TYR A 46 7.050 -6.092 -3.019 1.00 0.00 C ATOM 641 CE1 TYR A 46 6.240 -7.488 -0.781 1.00 0.00 C ATOM 642 CE2 TYR A 46 7.837 -7.114 -2.524 1.00 0.00 C ATOM 643 CZ TYR A 46 7.428 -7.808 -1.405 1.00 0.00 C ATOM 644 OH TYR A 46 8.209 -8.827 -0.908 1.00 0.00 O ATOM 0 H TYR A 46 3.034 -6.687 -2.593 1.00 0.00 H new ATOM 0 HA TYR A 46 3.319 -4.268 -4.255 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.605 -3.989 -3.587 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.636 -4.020 -2.127 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.529 -6.219 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.374 -5.550 -3.895 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.923 -8.033 0.096 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.767 -7.368 -3.011 1.00 0.00 H new ATOM 0 HH TYR A 46 9.011 -8.925 -1.463 1.00 0.00 H new ATOM 654 N CYS A 47 4.368 -5.613 -6.067 1.00 0.00 N ATOM 655 CA CYS A 47 4.800 -6.446 -7.184 1.00 0.00 C ATOM 656 C CYS A 47 6.215 -6.079 -7.620 1.00 0.00 C ATOM 657 O CYS A 47 6.487 -4.934 -7.982 1.00 0.00 O ATOM 658 CB CYS A 47 3.835 -6.296 -8.361 1.00 0.00 C ATOM 659 SG CYS A 47 4.231 -7.348 -9.778 1.00 0.00 S ATOM 0 H CYS A 47 4.171 -4.643 -6.315 1.00 0.00 H new ATOM 0 HA CYS A 47 4.799 -7.485 -6.853 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.825 -6.527 -8.021 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.832 -5.255 -8.684 1.00 0.00 H new ATOM 0 HG CYS A 47 5.120 -8.230 -9.429 1.00 0.00 H new ATOM 665 N PHE A 48 7.112 -7.059 -7.582 1.00 0.00 N ATOM 666 CA PHE A 48 8.500 -6.839 -7.971 1.00 0.00 C ATOM 667 C PHE A 48 8.667 -6.957 -9.484 1.00 0.00 C ATOM 668 O PHE A 48 8.011 -7.775 -10.128 1.00 0.00 O ATOM 669 CB PHE A 48 9.415 -7.843 -7.266 1.00 0.00 C ATOM 670 CG PHE A 48 10.796 -7.314 -7.004 1.00 0.00 C ATOM 671 CD1 PHE A 48 11.799 -7.460 -7.948 1.00 0.00 C ATOM 672 CD2 PHE A 48 11.090 -6.671 -5.812 1.00 0.00 C ATOM 673 CE1 PHE A 48 13.071 -6.975 -7.708 1.00 0.00 C ATOM 674 CE2 PHE A 48 12.360 -6.183 -5.567 1.00 0.00 C ATOM 675 CZ PHE A 48 13.352 -6.335 -6.517 1.00 0.00 C ATOM 0 H PHE A 48 6.903 -8.012 -7.286 1.00 0.00 H new ATOM 0 HA PHE A 48 8.779 -5.829 -7.670 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.960 -8.134 -6.319 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.489 -8.744 -7.874 1.00 0.00 H new ATOM 0 HD1 PHE A 48 11.585 -7.958 -8.882 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.318 -6.550 -5.066 1.00 0.00 H new ATOM 0 HE1 PHE A 48 13.845 -7.097 -8.452 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.577 -5.684 -4.634 1.00 0.00 H new ATOM 0 HZ PHE A 48 14.345 -5.954 -6.328 1.00 0.00 H new ATOM 685 N GLU A 49 9.548 -6.133 -10.042 1.00 0.00 N ATOM 686 CA GLU A 49 9.799 -6.144 -11.479 1.00 0.00 C ATOM 687 C GLU A 49 10.305 -7.511 -11.932 1.00 0.00 C ATOM 688 O GLU A 49 11.450 -7.879 -11.672 1.00 0.00 O ATOM 689 CB GLU A 49 10.816 -5.063 -11.849 1.00 0.00 C ATOM 690 CG GLU A 49 12.103 -5.136 -11.044 1.00 0.00 C ATOM 691 CD GLU A 49 12.863 -3.824 -11.038 1.00 0.00 C ATOM 692 OE1 GLU A 49 12.273 -2.796 -11.433 1.00 0.00 O ATOM 693 OE2 GLU A 49 14.046 -3.825 -10.640 1.00 0.00 O ATOM 0 H GLU A 49 10.099 -5.450 -9.522 1.00 0.00 H new ATOM 0 HA GLU A 49 8.858 -5.937 -11.989 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.055 -5.149 -12.909 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.361 -4.083 -11.703 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.870 -5.421 -10.018 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.740 -5.919 -11.455 1.00 0.00 H new ATOM 700 N GLY A 50 9.441 -8.260 -12.611 1.00 0.00 N ATOM 701 CA GLY A 50 9.818 -9.578 -13.088 1.00 0.00 C ATOM 702 C GLY A 50 9.152 -10.691 -12.304 1.00 0.00 C ATOM 703 O GLY A 50 9.778 -11.707 -11.999 1.00 0.00 O ATOM 0 H GLY A 50 8.488 -7.978 -12.839 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.552 -9.670 -14.141 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.900 -9.689 -13.022 1.00 0.00 H new ATOM 707 N THR A 51 7.878 -10.501 -11.974 1.00 0.00 N ATOM 708 CA THR A 51 7.128 -11.496 -11.218 1.00 0.00 C ATOM 709 C THR A 51 5.857 -11.902 -11.954 1.00 0.00 C ATOM 710 O THR A 51 5.493 -11.298 -12.962 1.00 0.00 O ATOM 711 CB THR A 51 6.753 -10.972 -9.819 1.00 0.00 C ATOM 712 OG1 THR A 51 6.135 -9.684 -9.927 1.00 0.00 O ATOM 713 CG2 THR A 51 7.982 -10.877 -8.928 1.00 0.00 C ATOM 0 H THR A 51 7.344 -9.667 -12.219 1.00 0.00 H new ATOM 0 HA THR A 51 7.776 -12.366 -11.111 1.00 0.00 H new ATOM 0 HB THR A 51 6.052 -11.675 -9.369 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.810 -9.017 -10.173 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.691 -10.505 -7.946 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.433 -11.864 -8.823 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.704 -10.194 -9.376 1.00 0.00 H new ATOM 721 N GLU A 52 5.185 -12.929 -11.443 1.00 0.00 N ATOM 722 CA GLU A 52 3.954 -13.416 -12.053 1.00 0.00 C ATOM 723 C GLU A 52 2.736 -12.986 -11.240 1.00 0.00 C ATOM 724 O GLU A 52 1.683 -12.675 -11.796 1.00 0.00 O ATOM 725 CB GLU A 52 3.987 -14.941 -12.176 1.00 0.00 C ATOM 726 CG GLU A 52 5.107 -15.456 -13.063 1.00 0.00 C ATOM 727 CD GLU A 52 4.864 -15.174 -14.533 1.00 0.00 C ATOM 728 OE1 GLU A 52 3.696 -15.261 -14.967 1.00 0.00 O ATOM 729 OE2 GLU A 52 5.840 -14.868 -15.248 1.00 0.00 O ATOM 0 H GLU A 52 5.473 -13.440 -10.608 1.00 0.00 H new ATOM 0 HA GLU A 52 3.876 -12.981 -13.049 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.094 -15.375 -11.182 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.032 -15.286 -12.574 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.047 -14.995 -12.759 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.217 -16.531 -12.916 1.00 0.00 H new ATOM 736 N ASP A 53 2.889 -12.972 -9.920 1.00 0.00 N ATOM 737 CA ASP A 53 1.803 -12.580 -9.029 1.00 0.00 C ATOM 738 C ASP A 53 2.308 -11.642 -7.937 1.00 0.00 C ATOM 739 O ASP A 53 3.429 -11.789 -7.449 1.00 0.00 O ATOM 740 CB ASP A 53 1.160 -13.817 -8.400 1.00 0.00 C ATOM 741 CG ASP A 53 -0.294 -13.591 -8.036 1.00 0.00 C ATOM 742 OD1 ASP A 53 -0.652 -12.441 -7.705 1.00 0.00 O ATOM 743 OD2 ASP A 53 -1.075 -14.564 -8.083 1.00 0.00 O ATOM 0 H ASP A 53 3.754 -13.227 -9.444 1.00 0.00 H new ATOM 0 HA ASP A 53 1.054 -12.051 -9.619 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.232 -14.654 -9.095 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.716 -14.097 -7.505 1.00 0.00 H new ATOM 748 N TRP A 54 1.475 -10.680 -7.559 1.00 0.00 N ATOM 749 CA TRP A 54 1.838 -9.718 -6.525 1.00 0.00 C ATOM 750 C TRP A 54 2.319 -10.428 -5.264 1.00 0.00 C ATOM 751 O TRP A 54 1.912 -11.556 -4.983 1.00 0.00 O ATOM 752 CB TRP A 54 0.646 -8.818 -6.195 1.00 0.00 C ATOM 753 CG TRP A 54 0.290 -7.873 -7.302 1.00 0.00 C ATOM 754 CD1 TRP A 54 -0.319 -8.186 -8.483 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.524 -6.461 -7.331 1.00 0.00 C ATOM 756 NE1 TRP A 54 -0.478 -7.054 -9.245 1.00 0.00 N ATOM 757 CE2 TRP A 54 0.031 -5.982 -8.561 1.00 0.00 C ATOM 758 CE3 TRP A 54 1.100 -5.554 -6.438 1.00 0.00 C ATOM 759 CZ2 TRP A 54 0.098 -4.638 -8.917 1.00 0.00 C ATOM 760 CZ3 TRP A 54 1.167 -4.220 -6.793 1.00 0.00 C ATOM 761 CH2 TRP A 54 0.668 -3.772 -8.023 1.00 0.00 C ATOM 0 H TRP A 54 0.544 -10.545 -7.953 1.00 0.00 H new ATOM 0 HA TRP A 54 2.654 -9.104 -6.907 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.219 -9.441 -5.967 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.871 -8.244 -5.296 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.630 -9.178 -8.775 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.906 -7.018 -10.170 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.486 -5.889 -5.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.286 -4.291 -9.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.612 -3.511 -6.111 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.734 -2.723 -8.271 1.00 0.00 H new ATOM 772 N ILE A 55 3.186 -9.762 -4.509 1.00 0.00 N ATOM 773 CA ILE A 55 3.720 -10.331 -3.278 1.00 0.00 C ATOM 774 C ILE A 55 2.995 -9.777 -2.056 1.00 0.00 C ATOM 775 O ILE A 55 3.115 -8.595 -1.733 1.00 0.00 O ATOM 776 CB ILE A 55 5.228 -10.052 -3.136 1.00 0.00 C ATOM 777 CG1 ILE A 55 5.998 -10.694 -4.292 1.00 0.00 C ATOM 778 CG2 ILE A 55 5.739 -10.569 -1.800 1.00 0.00 C ATOM 779 CD1 ILE A 55 6.157 -9.786 -5.491 1.00 0.00 C ATOM 0 H ILE A 55 3.533 -8.828 -4.728 1.00 0.00 H new ATOM 0 HA ILE A 55 3.562 -11.408 -3.334 1.00 0.00 H new ATOM 0 HB ILE A 55 5.388 -8.974 -3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.985 -10.992 -3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.482 -11.603 -4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.806 -10.364 -1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.208 -10.070 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.570 -11.644 -1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.712 -10.307 -6.271 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.173 -9.508 -5.870 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.700 -8.888 -5.198 1.00 0.00 H new ATOM 791 N VAL A 56 2.243 -10.639 -1.379 1.00 0.00 N ATOM 792 CA VAL A 56 1.501 -10.236 -0.190 1.00 0.00 C ATOM 793 C VAL A 56 2.416 -9.565 0.828 1.00 0.00 C ATOM 794 O VAL A 56 3.342 -10.186 1.349 1.00 0.00 O ATOM 795 CB VAL A 56 0.808 -11.441 0.474 1.00 0.00 C ATOM 796 CG1 VAL A 56 0.081 -11.010 1.738 1.00 0.00 C ATOM 797 CG2 VAL A 56 -0.150 -12.109 -0.502 1.00 0.00 C ATOM 0 H VAL A 56 2.131 -11.620 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 56 0.742 -9.524 -0.516 1.00 0.00 H new ATOM 0 HB VAL A 56 1.571 -12.168 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.402 -11.875 2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.796 -10.582 2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.673 -10.263 1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.631 -12.958 -0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.909 -11.392 -0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.403 -12.456 -1.375 1.00 0.00 H new ATOM 807 N ALA A 57 2.149 -8.294 1.107 1.00 0.00 N ATOM 808 CA ALA A 57 2.947 -7.539 2.066 1.00 0.00 C ATOM 809 C ALA A 57 2.507 -7.830 3.496 1.00 0.00 C ATOM 810 O ALA A 57 3.275 -8.365 4.295 1.00 0.00 O ATOM 811 CB ALA A 57 2.849 -6.048 1.775 1.00 0.00 C ATOM 0 H ALA A 57 1.387 -7.765 0.683 1.00 0.00 H new ATOM 0 HA ALA A 57 3.986 -7.852 1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.449 -5.496 2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.218 -5.849 0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.809 -5.730 1.849 1.00 0.00 H new ATOM 817 N ASN A 58 1.266 -7.475 3.814 1.00 0.00 N ATOM 818 CA ASN A 58 0.725 -7.698 5.149 1.00 0.00 C ATOM 819 C ASN A 58 0.346 -9.163 5.345 1.00 0.00 C ATOM 820 O ASN A 58 0.110 -9.889 4.379 1.00 0.00 O ATOM 821 CB ASN A 58 -0.497 -6.807 5.383 1.00 0.00 C ATOM 822 CG ASN A 58 -1.774 -7.427 4.850 1.00 0.00 C ATOM 823 OD1 ASN A 58 -1.737 -8.344 4.029 1.00 0.00 O ATOM 824 ND2 ASN A 58 -2.913 -6.928 5.316 1.00 0.00 N ATOM 0 H ASN A 58 0.616 -7.032 3.165 1.00 0.00 H new ATOM 0 HA ASN A 58 1.497 -7.441 5.874 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.606 -6.618 6.451 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.337 -5.842 4.903 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.804 -7.305 4.994 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.896 -6.168 5.996 1.00 0.00 H new ATOM 831 N LYS A 59 0.288 -9.590 6.602 1.00 0.00 N ATOM 832 CA LYS A 59 -0.065 -10.967 6.927 1.00 0.00 C ATOM 833 C LYS A 59 -1.575 -11.171 6.866 1.00 0.00 C ATOM 834 O LYS A 59 -2.074 -11.946 6.050 1.00 0.00 O ATOM 835 CB LYS A 59 0.454 -11.334 8.319 1.00 0.00 C ATOM 836 CG LYS A 59 1.912 -11.761 8.332 1.00 0.00 C ATOM 837 CD LYS A 59 2.087 -13.162 7.771 1.00 0.00 C ATOM 838 CE LYS A 59 3.500 -13.383 7.254 1.00 0.00 C ATOM 839 NZ LYS A 59 4.418 -13.852 8.329 1.00 0.00 N ATOM 0 H LYS A 59 0.481 -9.002 7.413 1.00 0.00 H new ATOM 0 HA LYS A 59 0.402 -11.619 6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.329 -10.478 8.982 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.156 -12.142 8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.504 -11.057 7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.293 -11.726 9.353 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.863 -13.896 8.545 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.373 -13.323 6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.481 -14.116 6.448 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.881 -12.454 6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.371 -13.991 7.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.456 -13.141 9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.069 -14.752 8.716 1.00 0.00 H new ATOM 853 N ASP A 60 -2.297 -10.469 7.732 1.00 0.00 N ATOM 854 CA ASP A 60 -3.752 -10.571 7.775 1.00 0.00 C ATOM 855 C ASP A 60 -4.401 -9.252 7.369 1.00 0.00 C ATOM 856 O ASP A 60 -5.053 -9.164 6.327 1.00 0.00 O ATOM 857 CB ASP A 60 -4.215 -10.972 9.177 1.00 0.00 C ATOM 858 CG ASP A 60 -5.635 -10.526 9.466 1.00 0.00 C ATOM 859 OD1 ASP A 60 -6.565 -11.043 8.812 1.00 0.00 O ATOM 860 OD2 ASP A 60 -5.816 -9.660 10.348 1.00 0.00 O ATOM 0 H ASP A 60 -1.899 -9.823 8.414 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.059 -11.340 7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.148 -12.055 9.283 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.543 -10.537 9.917 1.00 0.00 H new ATOM 865 N LEU A 61 -4.220 -8.229 8.197 1.00 0.00 N ATOM 866 CA LEU A 61 -4.789 -6.914 7.924 1.00 0.00 C ATOM 867 C LEU A 61 -3.914 -5.810 8.511 1.00 0.00 C ATOM 868 O LEU A 61 -3.002 -6.078 9.294 1.00 0.00 O ATOM 869 CB LEU A 61 -6.203 -6.820 8.499 1.00 0.00 C ATOM 870 CG LEU A 61 -7.185 -7.901 8.047 1.00 0.00 C ATOM 871 CD1 LEU A 61 -8.317 -8.048 9.052 1.00 0.00 C ATOM 872 CD2 LEU A 61 -7.735 -7.579 6.665 1.00 0.00 C ATOM 0 H LEU A 61 -3.684 -8.285 9.063 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.833 -6.781 6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.134 -6.852 9.586 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.617 -5.847 8.234 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.650 -8.849 7.991 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.006 -8.822 8.713 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.908 -8.326 10.023 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.850 -7.101 9.141 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.432 -8.359 6.360 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.253 -6.621 6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.914 -7.526 5.950 1.00 0.00 H new ATOM 884 N ILE A 62 -4.200 -4.570 8.128 1.00 0.00 N ATOM 885 CA ILE A 62 -3.442 -3.426 8.619 1.00 0.00 C ATOM 886 C ILE A 62 -4.295 -2.551 9.530 1.00 0.00 C ATOM 887 O ILE A 62 -5.146 -1.794 9.062 1.00 0.00 O ATOM 888 CB ILE A 62 -2.903 -2.568 7.459 1.00 0.00 C ATOM 889 CG1 ILE A 62 -2.245 -3.457 6.401 1.00 0.00 C ATOM 890 CG2 ILE A 62 -1.916 -1.534 7.979 1.00 0.00 C ATOM 891 CD1 ILE A 62 -1.833 -2.707 5.153 1.00 0.00 C ATOM 0 H ILE A 62 -4.951 -4.332 7.480 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.601 -3.825 9.186 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.739 -2.043 6.996 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.366 -3.935 6.835 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.937 -4.253 6.125 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.544 -0.936 7.147 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.415 -0.885 8.699 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.081 -2.040 8.464 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.374 -3.399 4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.711 -2.252 4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.116 -1.929 5.416 1.00 0.00 H new ATOM 903 N ASP A 63 -4.061 -2.658 10.833 1.00 0.00 N ATOM 904 CA ASP A 63 -4.806 -1.874 11.811 1.00 0.00 C ATOM 905 C ASP A 63 -4.690 -0.382 11.514 1.00 0.00 C ATOM 906 O ASP A 63 -5.684 0.285 11.230 1.00 0.00 O ATOM 907 CB ASP A 63 -4.299 -2.167 13.224 1.00 0.00 C ATOM 908 CG ASP A 63 -4.577 -1.028 14.186 1.00 0.00 C ATOM 909 OD1 ASP A 63 -5.710 -0.503 14.173 1.00 0.00 O ATOM 910 OD2 ASP A 63 -3.661 -0.661 14.952 1.00 0.00 O ATOM 0 H ASP A 63 -3.361 -3.280 11.237 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.856 -2.158 11.744 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.772 -3.076 13.595 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.226 -2.357 13.190 1.00 0.00 H new ATOM 915 N LYS A 64 -3.468 0.136 11.584 1.00 0.00 N ATOM 916 CA LYS A 64 -3.220 1.549 11.323 1.00 0.00 C ATOM 917 C LYS A 64 -3.315 1.851 9.831 1.00 0.00 C ATOM 918 O LYS A 64 -3.237 0.948 8.997 1.00 0.00 O ATOM 919 CB LYS A 64 -1.840 1.951 11.848 1.00 0.00 C ATOM 920 CG LYS A 64 -1.712 1.851 13.358 1.00 0.00 C ATOM 921 CD LYS A 64 -2.132 3.142 14.041 1.00 0.00 C ATOM 922 CE LYS A 64 -3.623 3.396 13.883 1.00 0.00 C ATOM 923 NZ LYS A 64 -4.161 4.243 14.983 1.00 0.00 N ATOM 0 H LYS A 64 -2.634 -0.402 11.819 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.983 2.128 11.843 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.085 1.316 11.385 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.627 2.975 11.541 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.328 1.029 13.722 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.680 1.618 13.622 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.880 3.093 15.100 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.573 3.977 13.619 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.809 3.883 12.926 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.154 2.444 13.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.180 4.393 14.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.007 3.767 15.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.673 5.161 14.985 1.00 0.00 H new ATOM 937 N THR A 65 -3.483 3.128 9.499 1.00 0.00 N ATOM 938 CA THR A 65 -3.588 3.549 8.108 1.00 0.00 C ATOM 939 C THR A 65 -2.211 3.670 7.465 1.00 0.00 C ATOM 940 O THR A 65 -2.069 4.236 6.381 1.00 0.00 O ATOM 941 CB THR A 65 -4.321 4.898 7.984 1.00 0.00 C ATOM 942 OG1 THR A 65 -4.055 5.708 9.134 1.00 0.00 O ATOM 943 CG2 THR A 65 -5.821 4.688 7.841 1.00 0.00 C ATOM 0 H THR A 65 -3.549 3.888 10.176 1.00 0.00 H new ATOM 0 HA THR A 65 -4.162 2.783 7.588 1.00 0.00 H new ATOM 0 HB THR A 65 -3.954 5.404 7.091 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.523 6.564 9.046 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.317 5.655 7.755 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.022 4.096 6.948 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.200 4.162 8.717 1.00 0.00 H new ATOM 951 N LYS A 66 -1.199 3.134 8.139 1.00 0.00 N ATOM 952 CA LYS A 66 0.167 3.180 7.632 1.00 0.00 C ATOM 953 C LYS A 66 0.747 1.775 7.504 1.00 0.00 C ATOM 954 O LYS A 66 0.257 0.831 8.124 1.00 0.00 O ATOM 955 CB LYS A 66 1.048 4.024 8.557 1.00 0.00 C ATOM 956 CG LYS A 66 0.984 5.514 8.264 1.00 0.00 C ATOM 957 CD LYS A 66 2.031 5.927 7.244 1.00 0.00 C ATOM 958 CE LYS A 66 2.375 7.403 7.365 1.00 0.00 C ATOM 959 NZ LYS A 66 1.160 8.243 7.554 1.00 0.00 N ATOM 0 H LYS A 66 -1.299 2.663 9.038 1.00 0.00 H new ATOM 0 HA LYS A 66 0.146 3.637 6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.746 3.852 9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.081 3.688 8.467 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.008 5.770 7.893 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.133 6.074 9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.932 5.330 7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.663 5.719 6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.052 7.550 8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.904 7.727 6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.174 9.031 6.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.310 7.665 7.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.146 8.621 8.523 1.00 0.00 H new ATOM 973 N PHE A 67 1.794 1.644 6.696 1.00 0.00 N ATOM 974 CA PHE A 67 2.442 0.354 6.487 1.00 0.00 C ATOM 975 C PHE A 67 3.828 0.534 5.875 1.00 0.00 C ATOM 976 O PHE A 67 4.055 1.444 5.077 1.00 0.00 O ATOM 977 CB PHE A 67 1.583 -0.530 5.581 1.00 0.00 C ATOM 978 CG PHE A 67 2.132 -1.917 5.401 1.00 0.00 C ATOM 979 CD1 PHE A 67 3.213 -2.145 4.565 1.00 0.00 C ATOM 980 CD2 PHE A 67 1.567 -2.992 6.068 1.00 0.00 C ATOM 981 CE1 PHE A 67 3.721 -3.420 4.397 1.00 0.00 C ATOM 982 CE2 PHE A 67 2.071 -4.268 5.906 1.00 0.00 C ATOM 983 CZ PHE A 67 3.148 -4.483 5.068 1.00 0.00 C ATOM 0 H PHE A 67 2.212 2.415 6.175 1.00 0.00 H new ATOM 0 HA PHE A 67 2.553 -0.130 7.457 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.578 -0.597 5.999 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.491 -0.055 4.604 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.664 -1.317 4.038 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.723 -2.831 6.722 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.564 -3.585 3.742 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.623 -5.097 6.434 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.541 -5.480 4.938 1.00 0.00 H new ATOM 993 N THR A 68 4.754 -0.340 6.256 1.00 0.00 N ATOM 994 CA THR A 68 6.119 -0.278 5.748 1.00 0.00 C ATOM 995 C THR A 68 6.598 -1.651 5.291 1.00 0.00 C ATOM 996 O THR A 68 6.439 -2.643 6.003 1.00 0.00 O ATOM 997 CB THR A 68 7.091 0.265 6.812 1.00 0.00 C ATOM 998 OG1 THR A 68 6.650 1.548 7.269 1.00 0.00 O ATOM 999 CG2 THR A 68 8.500 0.377 6.251 1.00 0.00 C ATOM 0 H THR A 68 4.584 -1.100 6.915 1.00 0.00 H new ATOM 0 HA THR A 68 6.109 0.402 4.896 1.00 0.00 H new ATOM 0 HB THR A 68 7.105 -0.433 7.649 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.272 1.886 7.946 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.169 0.763 7.021 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.844 -0.607 5.932 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.499 1.056 5.398 1.00 0.00 H new ATOM 1007 N ILE A 69 7.187 -1.702 4.101 1.00 0.00 N ATOM 1008 CA ILE A 69 7.692 -2.954 3.551 1.00 0.00 C ATOM 1009 C ILE A 69 9.113 -3.231 4.029 1.00 0.00 C ATOM 1010 O ILE A 69 9.969 -2.346 4.013 1.00 0.00 O ATOM 1011 CB ILE A 69 7.673 -2.941 2.011 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.247 -2.727 1.499 1.00 0.00 C ATOM 1013 CG2 ILE A 69 8.250 -4.237 1.463 1.00 0.00 C ATOM 1014 CD1 ILE A 69 6.148 -2.680 -0.010 1.00 0.00 C ATOM 0 H ILE A 69 7.326 -0.890 3.499 1.00 0.00 H new ATOM 0 HA ILE A 69 7.031 -3.744 3.907 1.00 0.00 H new ATOM 0 HB ILE A 69 8.292 -2.115 1.661 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.611 -3.530 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.858 -1.795 1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.230 -4.212 0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.279 -4.350 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.655 -5.079 1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.109 -2.526 -0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.757 -1.859 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.506 -3.621 -0.428 1.00 0.00 H new ATOM 1026 N THR A 70 9.359 -4.467 4.453 1.00 0.00 N ATOM 1027 CA THR A 70 10.677 -4.861 4.934 1.00 0.00 C ATOM 1028 C THR A 70 11.340 -5.845 3.977 1.00 0.00 C ATOM 1029 O THR A 70 10.743 -6.849 3.591 1.00 0.00 O ATOM 1030 CB THR A 70 10.595 -5.500 6.334 1.00 0.00 C ATOM 1031 OG1 THR A 70 9.807 -6.694 6.282 1.00 0.00 O ATOM 1032 CG2 THR A 70 9.990 -4.529 7.337 1.00 0.00 C ATOM 0 H THR A 70 8.663 -5.212 4.473 1.00 0.00 H new ATOM 0 HA THR A 70 11.278 -3.953 4.991 1.00 0.00 H new ATOM 0 HB THR A 70 11.606 -5.747 6.657 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.840 -7.069 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.942 -5.002 8.318 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.609 -3.634 7.396 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.985 -4.255 7.017 1.00 0.00 H new ATOM 1040 N GLY A 71 12.580 -5.551 3.598 1.00 0.00 N ATOM 1041 CA GLY A 71 13.304 -6.420 2.689 1.00 0.00 C ATOM 1042 C GLY A 71 13.184 -5.977 1.244 1.00 0.00 C ATOM 1043 O GLY A 71 12.534 -6.641 0.435 1.00 0.00 O ATOM 0 H GLY A 71 13.096 -4.726 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.356 -6.442 2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.926 -7.438 2.786 1.00 0.00 H new ATOM 1047 N LEU A 72 13.810 -4.852 0.918 1.00 0.00 N ATOM 1048 CA LEU A 72 13.770 -4.319 -0.439 1.00 0.00 C ATOM 1049 C LEU A 72 15.173 -3.983 -0.935 1.00 0.00 C ATOM 1050 O LEU A 72 15.925 -3.250 -0.292 1.00 0.00 O ATOM 1051 CB LEU A 72 12.885 -3.072 -0.493 1.00 0.00 C ATOM 1052 CG LEU A 72 11.393 -3.317 -0.719 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.609 -2.024 -0.558 1.00 0.00 C ATOM 1054 CD2 LEU A 72 11.154 -3.921 -2.095 1.00 0.00 C ATOM 0 H LEU A 72 14.352 -4.291 1.575 1.00 0.00 H new ATOM 0 HA LEU A 72 13.349 -5.085 -1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.005 -2.525 0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.251 -2.425 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 72 11.043 -4.025 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.549 -2.218 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.754 -1.633 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.961 -1.292 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.087 -4.089 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.520 -3.237 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.684 -4.870 -2.173 1.00 0.00 H new ATOM 1066 N PRO A 73 15.534 -4.529 -2.105 1.00 0.00 N ATOM 1067 CA PRO A 73 16.848 -4.300 -2.714 1.00 0.00 C ATOM 1068 C PRO A 73 17.010 -2.870 -3.219 1.00 0.00 C ATOM 1069 O PRO A 73 16.145 -2.346 -3.922 1.00 0.00 O ATOM 1070 CB PRO A 73 16.874 -5.286 -3.884 1.00 0.00 C ATOM 1071 CG PRO A 73 15.441 -5.510 -4.223 1.00 0.00 C ATOM 1072 CD PRO A 73 14.688 -5.413 -2.925 1.00 0.00 C ATOM 0 HA PRO A 73 17.659 -4.444 -2.000 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.423 -4.878 -4.733 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.365 -6.218 -3.605 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.088 -4.765 -4.936 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.297 -6.487 -4.685 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.691 -4.995 -3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.560 -6.391 -2.461 1.00 0.00 H new ATOM 1080 N THR A 74 18.125 -2.242 -2.857 1.00 0.00 N ATOM 1081 CA THR A 74 18.401 -0.873 -3.272 1.00 0.00 C ATOM 1082 C THR A 74 18.198 -0.703 -4.773 1.00 0.00 C ATOM 1083 O THR A 74 18.265 -1.670 -5.532 1.00 0.00 O ATOM 1084 CB THR A 74 19.838 -0.454 -2.910 1.00 0.00 C ATOM 1085 OG1 THR A 74 20.061 -0.634 -1.507 1.00 0.00 O ATOM 1086 CG2 THR A 74 20.090 0.998 -3.286 1.00 0.00 C ATOM 0 H THR A 74 18.852 -2.661 -2.277 1.00 0.00 H new ATOM 0 HA THR A 74 17.699 -0.233 -2.737 1.00 0.00 H new ATOM 0 HB THR A 74 20.529 -1.083 -3.472 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.977 -0.367 -1.285 1.00 0.00 H new ATOM 0 HG21 THR A 74 21.111 1.271 -3.021 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.947 1.126 -4.359 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.392 1.640 -2.748 1.00 0.00 H new ATOM 1094 N ASP A 75 17.949 0.532 -5.196 1.00 0.00 N ATOM 1095 CA ASP A 75 17.738 0.830 -6.608 1.00 0.00 C ATOM 1096 C ASP A 75 16.771 -0.170 -7.235 1.00 0.00 C ATOM 1097 O ASP A 75 16.978 -0.628 -8.358 1.00 0.00 O ATOM 1098 CB ASP A 75 19.069 0.811 -7.359 1.00 0.00 C ATOM 1099 CG ASP A 75 19.942 -0.364 -6.964 1.00 0.00 C ATOM 1100 OD1 ASP A 75 19.769 -1.454 -7.548 1.00 0.00 O ATOM 1101 OD2 ASP A 75 20.796 -0.195 -6.068 1.00 0.00 O ATOM 0 H ASP A 75 17.888 1.343 -4.581 1.00 0.00 H new ATOM 0 HA ASP A 75 17.302 1.826 -6.683 1.00 0.00 H new ATOM 0 HB2 ASP A 75 18.877 0.772 -8.431 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.606 1.740 -7.164 1.00 0.00 H new ATOM 1106 N ALA A 76 15.716 -0.506 -6.500 1.00 0.00 N ATOM 1107 CA ALA A 76 14.717 -1.451 -6.985 1.00 0.00 C ATOM 1108 C ALA A 76 13.336 -0.807 -7.045 1.00 0.00 C ATOM 1109 O ALA A 76 12.861 -0.238 -6.062 1.00 0.00 O ATOM 1110 CB ALA A 76 14.687 -2.688 -6.099 1.00 0.00 C ATOM 0 H ALA A 76 15.531 -0.138 -5.567 1.00 0.00 H new ATOM 0 HA ALA A 76 14.994 -1.749 -7.996 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.937 -3.385 -6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.666 -3.168 -6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.437 -2.399 -5.078 1.00 0.00 H new ATOM 1116 N LYS A 77 12.696 -0.901 -8.205 1.00 0.00 N ATOM 1117 CA LYS A 77 11.368 -0.328 -8.395 1.00 0.00 C ATOM 1118 C LYS A 77 10.284 -1.366 -8.124 1.00 0.00 C ATOM 1119 O LYS A 77 10.364 -2.499 -8.600 1.00 0.00 O ATOM 1120 CB LYS A 77 11.224 0.216 -9.818 1.00 0.00 C ATOM 1121 CG LYS A 77 12.157 1.374 -10.124 1.00 0.00 C ATOM 1122 CD LYS A 77 12.092 1.771 -11.590 1.00 0.00 C ATOM 1123 CE LYS A 77 12.439 3.238 -11.786 1.00 0.00 C ATOM 1124 NZ LYS A 77 12.389 3.633 -13.221 1.00 0.00 N ATOM 0 H LYS A 77 13.075 -1.369 -9.028 1.00 0.00 H new ATOM 0 HA LYS A 77 11.248 0.491 -7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.414 -0.590 -10.527 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.195 0.539 -9.972 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.892 2.229 -9.502 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.179 1.097 -9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.781 1.153 -12.166 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.091 1.578 -11.976 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.745 3.855 -11.215 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.436 3.431 -11.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.632 4.640 -13.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.070 3.062 -13.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.431 3.473 -13.592 1.00 0.00 H new ATOM 1138 N ILE A 78 9.272 -0.972 -7.358 1.00 0.00 N ATOM 1139 CA ILE A 78 8.171 -1.868 -7.027 1.00 0.00 C ATOM 1140 C ILE A 78 6.830 -1.150 -7.122 1.00 0.00 C ATOM 1141 O ILE A 78 6.760 0.075 -7.013 1.00 0.00 O ATOM 1142 CB ILE A 78 8.329 -2.453 -5.611 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.218 -1.344 -4.562 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.659 -3.180 -5.483 1.00 0.00 C ATOM 1145 CD1 ILE A 78 7.861 -1.851 -3.182 1.00 0.00 C ATOM 0 H ILE A 78 9.192 -0.038 -6.955 1.00 0.00 H new ATOM 0 HA ILE A 78 8.196 -2.681 -7.752 1.00 0.00 H new ATOM 0 HB ILE A 78 7.527 -3.171 -5.439 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.166 -0.808 -4.509 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.463 -0.626 -4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.755 -3.588 -4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.701 -3.992 -6.209 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.475 -2.482 -5.671 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.800 -1.011 -2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.899 -2.361 -3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.627 -2.547 -2.840 1.00 0.00 H new ATOM 1157 N PHE A 79 5.766 -1.919 -7.324 1.00 0.00 N ATOM 1158 CA PHE A 79 4.425 -1.357 -7.433 1.00 0.00 C ATOM 1159 C PHE A 79 3.681 -1.463 -6.105 1.00 0.00 C ATOM 1160 O PHE A 79 3.972 -2.335 -5.285 1.00 0.00 O ATOM 1161 CB PHE A 79 3.636 -2.073 -8.531 1.00 0.00 C ATOM 1162 CG PHE A 79 4.222 -1.897 -9.902 1.00 0.00 C ATOM 1163 CD1 PHE A 79 4.055 -0.708 -10.594 1.00 0.00 C ATOM 1164 CD2 PHE A 79 4.940 -2.920 -10.500 1.00 0.00 C ATOM 1165 CE1 PHE A 79 4.594 -0.543 -11.857 1.00 0.00 C ATOM 1166 CE2 PHE A 79 5.482 -2.761 -11.761 1.00 0.00 C ATOM 1167 CZ PHE A 79 5.307 -1.571 -12.441 1.00 0.00 C ATOM 0 H PHE A 79 5.806 -2.934 -7.416 1.00 0.00 H new ATOM 0 HA PHE A 79 4.520 -0.303 -7.693 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.589 -3.137 -8.299 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.611 -1.701 -8.532 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.498 0.099 -10.142 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.078 -3.853 -9.974 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.457 0.389 -12.386 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.042 -3.566 -12.214 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.727 -1.445 -13.428 1.00 0.00 H new ATOM 1177 N VAL A 80 2.719 -0.569 -5.899 1.00 0.00 N ATOM 1178 CA VAL A 80 1.932 -0.561 -4.671 1.00 0.00 C ATOM 1179 C VAL A 80 0.450 -0.363 -4.969 1.00 0.00 C ATOM 1180 O VAL A 80 0.079 0.478 -5.788 1.00 0.00 O ATOM 1181 CB VAL A 80 2.404 0.546 -3.709 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.479 0.636 -2.505 1.00 0.00 C ATOM 1183 CG2 VAL A 80 3.839 0.295 -3.272 1.00 0.00 C ATOM 0 H VAL A 80 2.466 0.159 -6.567 1.00 0.00 H new ATOM 0 HA VAL A 80 2.077 -1.531 -4.196 1.00 0.00 H new ATOM 0 HB VAL A 80 2.370 1.500 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.828 1.423 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.467 0.866 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.478 -0.316 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.156 1.086 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.901 -0.667 -2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.489 0.285 -4.147 1.00 0.00 H new ATOM 1193 N ARG A 81 -0.392 -1.143 -4.299 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.834 -1.054 -4.493 1.00 0.00 C ATOM 1195 C ARG A 81 -2.580 -1.511 -3.243 1.00 0.00 C ATOM 1196 O ARG A 81 -2.261 -2.548 -2.661 1.00 0.00 O ATOM 1197 CB ARG A 81 -2.262 -1.901 -5.693 1.00 0.00 C ATOM 1198 CG ARG A 81 -1.940 -3.379 -5.541 1.00 0.00 C ATOM 1199 CD ARG A 81 -2.016 -4.105 -6.875 1.00 0.00 C ATOM 1200 NE ARG A 81 -3.372 -4.555 -7.177 1.00 0.00 N ATOM 1201 CZ ARG A 81 -4.013 -5.482 -6.474 1.00 0.00 C ATOM 1202 NH1 ARG A 81 -3.424 -6.053 -5.432 1.00 0.00 N ATOM 1203 NH2 ARG A 81 -5.246 -5.838 -6.811 1.00 0.00 N ATOM 0 H ARG A 81 -0.100 -1.843 -3.617 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.086 -0.011 -4.685 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.335 -1.785 -5.844 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.771 -1.521 -6.589 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.941 -3.494 -5.119 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.637 -3.834 -4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.669 -3.443 -7.668 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.344 -4.963 -6.859 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.854 -4.134 -7.972 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.477 -5.781 -5.169 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.918 -6.765 -4.894 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.703 -5.400 -7.611 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.737 -6.550 -6.270 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.574 -0.728 -2.834 1.00 0.00 N ATOM 1218 CA VAL A 82 -4.365 -1.052 -1.653 1.00 0.00 C ATOM 1219 C VAL A 82 -5.853 -1.095 -1.984 1.00 0.00 C ATOM 1220 O VAL A 82 -6.284 -0.600 -3.026 1.00 0.00 O ATOM 1221 CB VAL A 82 -4.131 -0.032 -0.523 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.755 -0.228 0.096 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -4.293 1.387 -1.045 1.00 0.00 C ATOM 0 H VAL A 82 -3.850 0.135 -3.303 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.042 -2.037 -1.316 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.879 -0.196 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.607 0.501 0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.681 -1.235 0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.990 -0.091 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.124 2.095 -0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.569 1.567 -1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.302 1.518 -1.436 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.635 -1.689 -1.089 1.00 0.00 N ATOM 1234 CA LYS A 83 -8.077 -1.796 -1.283 1.00 0.00 C ATOM 1235 C LYS A 83 -8.798 -1.915 0.056 1.00 0.00 C ATOM 1236 O LYS A 83 -8.166 -2.065 1.101 1.00 0.00 O ATOM 1237 CB LYS A 83 -8.406 -3.004 -2.162 1.00 0.00 C ATOM 1238 CG LYS A 83 -7.802 -4.304 -1.659 1.00 0.00 C ATOM 1239 CD LYS A 83 -8.547 -5.512 -2.202 1.00 0.00 C ATOM 1240 CE LYS A 83 -7.753 -6.794 -1.999 1.00 0.00 C ATOM 1241 NZ LYS A 83 -6.800 -7.039 -3.116 1.00 0.00 N ATOM 0 H LYS A 83 -6.295 -2.104 -0.222 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.420 -0.889 -1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.489 -3.115 -2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.049 -2.815 -3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.754 -4.358 -1.955 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.826 -4.320 -0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.513 -5.599 -1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.746 -5.371 -3.264 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.204 -6.736 -1.059 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.439 -7.637 -1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.938 -8.001 -3.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.970 -6.349 -3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.825 -6.938 -2.769 1.00 0.00 H new ATOM 1255 N ALA A 84 -10.125 -1.849 0.015 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.932 -1.954 1.224 1.00 0.00 C ATOM 1257 C ALA A 84 -11.609 -3.318 1.317 1.00 0.00 C ATOM 1258 O ALA A 84 -12.615 -3.569 0.653 1.00 0.00 O ATOM 1259 CB ALA A 84 -11.971 -0.844 1.263 1.00 0.00 C ATOM 0 H ALA A 84 -10.663 -1.723 -0.842 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.269 -1.847 2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.567 -0.935 2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.470 0.124 1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.622 -0.924 0.393 1.00 0.00 H new ATOM 1265 N VAL A 85 -11.049 -4.196 2.143 1.00 0.00 N ATOM 1266 CA VAL A 85 -11.599 -5.534 2.322 1.00 0.00 C ATOM 1267 C VAL A 85 -12.341 -5.651 3.649 1.00 0.00 C ATOM 1268 O VAL A 85 -11.728 -5.660 4.716 1.00 0.00 O ATOM 1269 CB VAL A 85 -10.494 -6.607 2.269 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -11.099 -8.000 2.341 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -9.656 -6.445 1.009 1.00 0.00 C ATOM 0 H VAL A 85 -10.215 -4.005 2.698 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.298 -5.701 1.502 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.841 -6.476 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.304 -8.744 2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.653 -8.109 3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.775 -8.147 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.880 -7.210 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.294 -6.550 0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.192 -5.458 1.005 1.00 0.00 H new ATOM 1281 N ASN A 86 -13.665 -5.740 3.575 1.00 0.00 N ATOM 1282 CA ASN A 86 -14.491 -5.856 4.771 1.00 0.00 C ATOM 1283 C ASN A 86 -15.398 -7.080 4.689 1.00 0.00 C ATOM 1284 O ASN A 86 -15.366 -7.824 3.709 1.00 0.00 O ATOM 1285 CB ASN A 86 -15.336 -4.594 4.956 1.00 0.00 C ATOM 1286 CG ASN A 86 -14.654 -3.355 4.408 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -14.226 -2.482 5.163 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -14.549 -3.274 3.086 1.00 0.00 N ATOM 0 H ASN A 86 -14.189 -5.734 2.700 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.829 -5.972 5.629 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.296 -4.727 4.458 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -15.544 -4.452 6.016 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.099 -2.464 2.659 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.918 -4.021 2.498 1.00 0.00 H new ATOM 1295 N ALA A 87 -16.205 -7.282 5.725 1.00 0.00 N ATOM 1296 CA ALA A 87 -17.122 -8.415 5.769 1.00 0.00 C ATOM 1297 C ALA A 87 -17.957 -8.495 4.496 1.00 0.00 C ATOM 1298 O ALA A 87 -18.171 -9.577 3.950 1.00 0.00 O ATOM 1299 CB ALA A 87 -18.025 -8.315 6.990 1.00 0.00 C ATOM 0 H ALA A 87 -16.243 -6.676 6.545 1.00 0.00 H new ATOM 0 HA ALA A 87 -16.530 -9.328 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -18.705 -9.167 7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -17.416 -8.315 7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -18.602 -7.392 6.941 1.00 0.00 H new ATOM 1305 N ALA A 88 -18.428 -7.343 4.029 1.00 0.00 N ATOM 1306 CA ALA A 88 -19.238 -7.283 2.819 1.00 0.00 C ATOM 1307 C ALA A 88 -18.489 -7.869 1.627 1.00 0.00 C ATOM 1308 O ALA A 88 -19.030 -8.685 0.882 1.00 0.00 O ATOM 1309 CB ALA A 88 -19.652 -5.848 2.531 1.00 0.00 C ATOM 0 H ALA A 88 -18.262 -6.439 4.471 1.00 0.00 H new ATOM 0 HA ALA A 88 -20.134 -7.882 2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.256 -5.819 1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.234 -5.462 3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -18.762 -5.233 2.394 1.00 0.00 H new ATOM 1315 N GLY A 89 -17.241 -7.446 1.452 1.00 0.00 N ATOM 1316 CA GLY A 89 -16.439 -7.938 0.348 1.00 0.00 C ATOM 1317 C GLY A 89 -15.132 -7.184 0.199 1.00 0.00 C ATOM 1318 O GLY A 89 -14.424 -6.956 1.179 1.00 0.00 O ATOM 0 H GLY A 89 -16.771 -6.771 2.055 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -16.229 -8.997 0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -17.010 -7.855 -0.577 1.00 0.00 H new ATOM 1322 N ALA A 90 -14.811 -6.797 -1.032 1.00 0.00 N ATOM 1323 CA ALA A 90 -13.581 -6.065 -1.306 1.00 0.00 C ATOM 1324 C ALA A 90 -13.833 -4.911 -2.271 1.00 0.00 C ATOM 1325 O ALA A 90 -14.790 -4.934 -3.044 1.00 0.00 O ATOM 1326 CB ALA A 90 -12.522 -7.002 -1.865 1.00 0.00 C ATOM 0 H ALA A 90 -15.386 -6.979 -1.855 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.219 -5.646 -0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.609 -6.441 -2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.313 -7.789 -1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.884 -7.449 -2.791 1.00 0.00 H new ATOM 1332 N SER A 91 -12.967 -3.904 -2.220 1.00 0.00 N ATOM 1333 CA SER A 91 -13.099 -2.739 -3.088 1.00 0.00 C ATOM 1334 C SER A 91 -12.002 -2.724 -4.148 1.00 0.00 C ATOM 1335 O SER A 91 -10.952 -3.343 -3.977 1.00 0.00 O ATOM 1336 CB SER A 91 -13.042 -1.452 -2.261 1.00 0.00 C ATOM 1337 OG SER A 91 -13.784 -0.416 -2.880 1.00 0.00 O ATOM 0 H SER A 91 -12.167 -3.871 -1.588 1.00 0.00 H new ATOM 0 HA SER A 91 -14.065 -2.798 -3.590 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.437 -1.640 -1.262 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.005 -1.139 -2.140 1.00 0.00 H new ATOM 0 HG SER A 91 -14.391 -0.012 -2.225 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.254 -2.013 -5.242 1.00 0.00 N ATOM 1344 CA GLU A 92 -11.289 -1.919 -6.331 1.00 0.00 C ATOM 1345 C GLU A 92 -9.920 -1.494 -5.808 1.00 0.00 C ATOM 1346 O GLU A 92 -9.802 -0.674 -4.897 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.774 -0.925 -7.388 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.370 0.512 -7.104 1.00 0.00 C ATOM 1349 CD GLU A 92 -11.856 1.476 -8.169 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -11.187 1.586 -9.218 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -12.904 2.120 -7.954 1.00 0.00 O ATOM 0 H GLU A 92 -13.118 -1.494 -5.398 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.196 -2.905 -6.786 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.378 -1.219 -8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.860 -0.981 -7.456 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.771 0.814 -6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.284 0.573 -7.032 1.00 0.00 H new ATOM 1358 N PRO A 93 -8.858 -2.065 -6.397 1.00 0.00 N ATOM 1359 CA PRO A 93 -7.478 -1.761 -6.008 1.00 0.00 C ATOM 1360 C PRO A 93 -7.062 -0.348 -6.404 1.00 0.00 C ATOM 1361 O PRO A 93 -7.597 0.225 -7.353 1.00 0.00 O ATOM 1362 CB PRO A 93 -6.656 -2.797 -6.778 1.00 0.00 C ATOM 1363 CG PRO A 93 -7.498 -3.149 -7.956 1.00 0.00 C ATOM 1364 CD PRO A 93 -8.924 -3.051 -7.489 1.00 0.00 C ATOM 0 HA PRO A 93 -7.340 -1.805 -4.928 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.694 -2.389 -7.087 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.448 -3.673 -6.164 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.312 -2.468 -8.786 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.272 -4.154 -8.311 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.587 -2.721 -8.289 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.300 -4.013 -7.140 1.00 0.00 H new ATOM 1372 N LYS A 94 -6.103 0.208 -5.672 1.00 0.00 N ATOM 1373 CA LYS A 94 -5.612 1.553 -5.948 1.00 0.00 C ATOM 1374 C LYS A 94 -4.254 1.506 -6.640 1.00 0.00 C ATOM 1375 O LYS A 94 -3.221 1.334 -5.992 1.00 0.00 O ATOM 1376 CB LYS A 94 -5.506 2.356 -4.649 1.00 0.00 C ATOM 1377 CG LYS A 94 -4.724 3.649 -4.795 1.00 0.00 C ATOM 1378 CD LYS A 94 -5.534 4.712 -5.518 1.00 0.00 C ATOM 1379 CE LYS A 94 -6.345 5.553 -4.544 1.00 0.00 C ATOM 1380 NZ LYS A 94 -7.491 6.228 -5.214 1.00 0.00 N ATOM 0 H LYS A 94 -5.650 -0.252 -4.882 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.323 2.042 -6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.510 2.587 -4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.031 1.738 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.438 4.016 -3.809 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.802 3.457 -5.343 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.864 5.357 -6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.204 4.236 -6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.717 4.919 -3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.699 6.302 -4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.968 6.857 -4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.142 6.787 -6.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.164 5.512 -5.555 1.00 0.00 H new ATOM 1394 N TYR A 95 -4.262 1.660 -7.960 1.00 0.00 N ATOM 1395 CA TYR A 95 -3.031 1.634 -8.740 1.00 0.00 C ATOM 1396 C TYR A 95 -2.332 2.989 -8.700 1.00 0.00 C ATOM 1397 O TYR A 95 -2.872 3.993 -9.164 1.00 0.00 O ATOM 1398 CB TYR A 95 -3.329 1.243 -10.189 1.00 0.00 C ATOM 1399 CG TYR A 95 -3.690 -0.215 -10.361 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -2.723 -1.207 -10.256 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -4.997 -0.600 -10.629 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -3.048 -2.541 -10.413 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -5.332 -1.931 -10.787 1.00 0.00 C ATOM 1404 CZ TYR A 95 -4.353 -2.898 -10.677 1.00 0.00 C ATOM 1405 OH TYR A 95 -4.682 -4.225 -10.835 1.00 0.00 O ATOM 0 H TYR A 95 -5.108 1.804 -8.512 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.367 0.890 -8.299 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.149 1.858 -10.561 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.457 1.468 -10.804 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.700 -0.931 -10.048 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.765 0.154 -10.715 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.284 -3.300 -10.329 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.353 -2.213 -10.995 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.642 -4.305 -11.015 1.00 0.00 H new ATOM 1415 N TYR A 96 -1.126 3.009 -8.143 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.352 4.241 -8.040 1.00 0.00 C ATOM 1417 C TYR A 96 0.159 4.679 -9.409 1.00 0.00 C ATOM 1418 O TYR A 96 0.867 3.935 -10.087 1.00 0.00 O ATOM 1419 CB TYR A 96 0.825 4.049 -7.082 1.00 0.00 C ATOM 1420 CG TYR A 96 1.404 5.348 -6.567 1.00 0.00 C ATOM 1421 CD1 TYR A 96 1.834 6.336 -7.444 1.00 0.00 C ATOM 1422 CD2 TYR A 96 1.519 5.587 -5.203 1.00 0.00 C ATOM 1423 CE1 TYR A 96 2.364 7.523 -6.978 1.00 0.00 C ATOM 1424 CE2 TYR A 96 2.047 6.772 -4.728 1.00 0.00 C ATOM 1425 CZ TYR A 96 2.468 7.737 -5.619 1.00 0.00 C ATOM 1426 OH TYR A 96 2.995 8.919 -5.151 1.00 0.00 O ATOM 0 H TYR A 96 -0.663 2.187 -7.756 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.007 5.020 -7.650 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.499 3.445 -6.235 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.609 3.488 -7.591 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.752 6.173 -8.508 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.190 4.834 -4.502 1.00 0.00 H new ATOM 0 HE1 TYR A 96 2.695 8.280 -7.674 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.130 6.942 -3.665 1.00 0.00 H new ATOM 0 HH TYR A 96 2.997 8.911 -4.171 1.00 0.00 H new ATOM 1436 N SER A 97 -0.206 5.893 -9.809 1.00 0.00 N ATOM 1437 CA SER A 97 0.211 6.431 -11.098 1.00 0.00 C ATOM 1438 C SER A 97 1.631 5.988 -11.437 1.00 0.00 C ATOM 1439 O SER A 97 1.840 5.179 -12.341 1.00 0.00 O ATOM 1440 CB SER A 97 0.131 7.959 -11.087 1.00 0.00 C ATOM 1441 OG SER A 97 -1.172 8.398 -10.744 1.00 0.00 O ATOM 0 H SER A 97 -0.790 6.523 -9.258 1.00 0.00 H new ATOM 0 HA SER A 97 -0.464 6.044 -11.861 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.852 8.359 -10.375 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.403 8.348 -12.068 1.00 0.00 H new ATOM 0 HG SER A 97 -1.197 9.378 -10.742 1.00 0.00 H new ATOM 1447 N GLN A 98 2.603 6.525 -10.706 1.00 0.00 N ATOM 1448 CA GLN A 98 4.003 6.186 -10.930 1.00 0.00 C ATOM 1449 C GLN A 98 4.503 5.210 -9.870 1.00 0.00 C ATOM 1450 O GLN A 98 3.989 5.153 -8.753 1.00 0.00 O ATOM 1451 CB GLN A 98 4.864 7.451 -10.922 1.00 0.00 C ATOM 1452 CG GLN A 98 5.371 7.833 -9.541 1.00 0.00 C ATOM 1453 CD GLN A 98 5.864 9.265 -9.476 1.00 0.00 C ATOM 1454 OE1 GLN A 98 5.873 9.977 -10.480 1.00 0.00 O ATOM 1455 NE2 GLN A 98 6.278 9.695 -8.290 1.00 0.00 N ATOM 0 H GLN A 98 2.446 7.196 -9.954 1.00 0.00 H new ATOM 0 HA GLN A 98 4.083 5.707 -11.906 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.717 7.304 -11.585 1.00 0.00 H new ATOM 0 HB3 GLN A 98 4.283 8.279 -11.328 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.571 7.695 -8.813 1.00 0.00 H new ATOM 0 HG3 GLN A 98 6.180 7.161 -9.257 1.00 0.00 H new ATOM 0 HE21 GLN A 98 6.253 9.070 -7.484 1.00 0.00 H new ATOM 0 HE22 GLN A 98 6.621 10.650 -8.185 1.00 0.00 H new ATOM 1464 N PRO A 99 5.529 4.423 -10.226 1.00 0.00 N ATOM 1465 CA PRO A 99 6.121 3.435 -9.319 1.00 0.00 C ATOM 1466 C PRO A 99 6.890 4.086 -8.175 1.00 0.00 C ATOM 1467 O PRO A 99 7.239 5.265 -8.241 1.00 0.00 O ATOM 1468 CB PRO A 99 7.073 2.649 -10.224 1.00 0.00 C ATOM 1469 CG PRO A 99 7.415 3.592 -11.325 1.00 0.00 C ATOM 1470 CD PRO A 99 6.191 4.438 -11.542 1.00 0.00 C ATOM 0 HA PRO A 99 5.363 2.818 -8.837 1.00 0.00 H new ATOM 0 HB2 PRO A 99 7.964 2.334 -9.682 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.598 1.747 -10.609 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.273 4.209 -11.058 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.681 3.051 -12.233 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.452 5.451 -11.849 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.549 4.024 -12.320 1.00 0.00 H new ATOM 1478 N ILE A 100 7.151 3.312 -7.127 1.00 0.00 N ATOM 1479 CA ILE A 100 7.880 3.813 -5.969 1.00 0.00 C ATOM 1480 C ILE A 100 9.333 3.350 -5.992 1.00 0.00 C ATOM 1481 O ILE A 100 9.619 2.180 -6.249 1.00 0.00 O ATOM 1482 CB ILE A 100 7.227 3.356 -4.651 1.00 0.00 C ATOM 1483 CG1 ILE A 100 5.756 3.776 -4.613 1.00 0.00 C ATOM 1484 CG2 ILE A 100 7.979 3.931 -3.461 1.00 0.00 C ATOM 1485 CD1 ILE A 100 4.891 3.038 -5.610 1.00 0.00 C ATOM 0 H ILE A 100 6.868 2.335 -7.056 1.00 0.00 H new ATOM 0 HA ILE A 100 7.847 4.901 -6.022 1.00 0.00 H new ATOM 0 HB ILE A 100 7.276 2.269 -4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.364 3.608 -3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.687 4.846 -4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.506 3.599 -2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.013 3.587 -3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.958 5.020 -3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.862 3.387 -5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.257 3.226 -6.619 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.930 1.968 -5.404 1.00 0.00 H new ATOM 1497 N LEU A 101 10.247 4.275 -5.719 1.00 0.00 N ATOM 1498 CA LEU A 101 11.671 3.962 -5.706 1.00 0.00 C ATOM 1499 C LEU A 101 12.176 3.783 -4.278 1.00 0.00 C ATOM 1500 O LEU A 101 11.767 4.504 -3.368 1.00 0.00 O ATOM 1501 CB LEU A 101 12.463 5.069 -6.404 1.00 0.00 C ATOM 1502 CG LEU A 101 13.931 4.759 -6.702 1.00 0.00 C ATOM 1503 CD1 LEU A 101 14.043 3.741 -7.827 1.00 0.00 C ATOM 1504 CD2 LEU A 101 14.684 6.033 -7.056 1.00 0.00 C ATOM 0 H LEU A 101 10.027 5.247 -5.504 1.00 0.00 H new ATOM 0 HA LEU A 101 11.817 3.025 -6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 101 11.965 5.307 -7.344 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.420 5.965 -5.784 1.00 0.00 H new ATOM 0 HG LEU A 101 14.382 4.332 -5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.094 3.532 -8.026 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.539 2.820 -7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.576 4.141 -8.727 1.00 0.00 H new ATOM 0 HD21 LEU A 101 15.727 5.793 -7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.233 6.489 -7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.633 6.730 -6.220 1.00 0.00 H new ATOM 1516 N VAL A 102 13.069 2.817 -4.088 1.00 0.00 N ATOM 1517 CA VAL A 102 13.633 2.544 -2.771 1.00 0.00 C ATOM 1518 C VAL A 102 15.018 3.164 -2.628 1.00 0.00 C ATOM 1519 O VAL A 102 16.032 2.469 -2.701 1.00 0.00 O ATOM 1520 CB VAL A 102 13.729 1.030 -2.504 1.00 0.00 C ATOM 1521 CG1 VAL A 102 14.504 0.340 -3.616 1.00 0.00 C ATOM 1522 CG2 VAL A 102 14.374 0.768 -1.152 1.00 0.00 C ATOM 0 H VAL A 102 13.418 2.210 -4.830 1.00 0.00 H new ATOM 0 HA VAL A 102 12.961 2.992 -2.039 1.00 0.00 H new ATOM 0 HB VAL A 102 12.720 0.617 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.562 -0.729 -3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 102 13.996 0.500 -4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.511 0.754 -3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.434 -0.307 -0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.377 1.194 -1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.774 1.228 -0.367 1.00 0.00 H new ATOM 1532 N LYS A 103 15.056 4.476 -2.423 1.00 0.00 N ATOM 1533 CA LYS A 103 16.316 5.191 -2.267 1.00 0.00 C ATOM 1534 C LYS A 103 16.257 6.147 -1.079 1.00 0.00 C ATOM 1535 O LYS A 103 15.247 6.814 -0.859 1.00 0.00 O ATOM 1536 CB LYS A 103 16.648 5.967 -3.543 1.00 0.00 C ATOM 1537 CG LYS A 103 18.034 6.589 -3.535 1.00 0.00 C ATOM 1538 CD LYS A 103 19.080 5.625 -4.068 1.00 0.00 C ATOM 1539 CE LYS A 103 20.250 6.365 -4.698 1.00 0.00 C ATOM 1540 NZ LYS A 103 19.941 6.817 -6.082 1.00 0.00 N ATOM 0 H LYS A 103 14.227 5.066 -2.361 1.00 0.00 H new ATOM 0 HA LYS A 103 17.100 4.457 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 103 16.565 5.296 -4.398 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.907 6.754 -3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 103 18.031 7.495 -4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 103 18.295 6.885 -2.519 1.00 0.00 H new ATOM 0 HD2 LYS A 103 19.442 4.994 -3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.625 4.965 -4.807 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.507 7.228 -4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 103 21.124 5.714 -4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 20.764 7.317 -6.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 19.720 5.992 -6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 19.123 7.459 -6.063 1.00 0.00 H new ATOM 1554 N GLU A 104 17.345 6.207 -0.318 1.00 0.00 N ATOM 1555 CA GLU A 104 17.415 7.082 0.846 1.00 0.00 C ATOM 1556 C GLU A 104 17.603 8.536 0.423 1.00 0.00 C ATOM 1557 O GLU A 104 17.983 8.819 -0.713 1.00 0.00 O ATOM 1558 CB GLU A 104 18.561 6.654 1.765 1.00 0.00 C ATOM 1559 CG GLU A 104 18.374 7.083 3.211 1.00 0.00 C ATOM 1560 CD GLU A 104 18.854 8.498 3.466 1.00 0.00 C ATOM 1561 OE1 GLU A 104 19.882 8.892 2.878 1.00 0.00 O ATOM 1562 OE2 GLU A 104 18.200 9.212 4.256 1.00 0.00 O ATOM 0 H GLU A 104 18.190 5.660 -0.487 1.00 0.00 H new ATOM 0 HA GLU A 104 16.473 6.999 1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.661 5.569 1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.494 7.073 1.388 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.319 7.008 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.915 6.397 3.863 1.00 0.00 H new