USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 776 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 40 SER OG : rot 83:sc= 0.307 USER MOD Set 1.2: A 107 GLN : amide:sc= -2.68 K(o=-2.4,f=-7.2!) USER MOD Set 2.1: A 7 SER OG : rot -143:sc= 1.19 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 62:sc= 0.2 USER MOD Single : A 18 CYS SG : rot -94:sc= 0.479 USER MOD Single : A 19 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.076) USER MOD Single : A 23 SER OG : rot -160:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0462) USER MOD Single : A 31 GLN : amide:sc= 1.14 K(o=1.1,f=-0.04) USER MOD Single : A 33 SER OG : rot -128:sc= 0.0402 USER MOD Single : A 35 MET CE :methyl -148:sc= -4.68! (180deg=-8.62!) USER MOD Single : A 36 SER OG : rot 180:sc= -0.28 USER MOD Single : A 37 LYS NZ :NH3+ -129:sc= -0.305 (180deg=-1.08) USER MOD Single : A 38 LYS NZ :NH3+ -117:sc= -0.1 (180deg=-2.12!) USER MOD Single : A 39 SER OG : rot 40:sc= 0.602 USER MOD Single : A 41 SER OG : rot -27:sc= 0.393 USER MOD Single : A 42 GLN : amide:sc= -5.12! K(o=-5.1!,f=-1.6) USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00325) USER MOD Single : A 52 ASN : amide:sc= -0.0826 K(o=-0.083,f=-0.81) USER MOD Single : A 54 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.78!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.935 K(o=-0.94,f=-0.23) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -112:sc= 0.532 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -84:sc= 0.893 USER MOD Single : A 83 LYS NZ :NH3+ 152:sc= -0.18 (180deg=-1.22) USER MOD Single : A 84 THR OG1 : rot -52:sc= 0.89 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -4.37 K(o=-4.4,f=-5.3!) USER MOD Single : A 105 MET CE :methyl -177:sc= -0.534 (180deg=-0.561) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 1.756 -5.624 -1.101 1.00 0.00 N ATOM 32 CA THR A 3 0.559 -6.440 -0.945 1.00 0.00 C ATOM 33 C THR A 3 -0.590 -5.625 -0.363 1.00 0.00 C ATOM 34 O THR A 3 -1.084 -5.920 0.725 1.00 0.00 O ATOM 35 CB THR A 3 0.823 -7.656 -0.037 1.00 0.00 C ATOM 36 OG1 THR A 3 1.064 -7.222 1.305 1.00 0.00 O ATOM 37 CG2 THR A 3 2.015 -8.458 -0.539 1.00 0.00 C ATOM 0 HA THR A 3 0.284 -6.791 -1.939 1.00 0.00 H new ATOM 0 HB THR A 3 -0.059 -8.296 -0.058 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.270 -6.760 1.647 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.182 -9.311 0.118 1.00 0.00 H new ATOM 0 HG22 THR A 3 1.815 -8.812 -1.550 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.903 -7.825 -0.545 1.00 0.00 H new ATOM 45 N ASP A 4 -1.012 -4.600 -1.095 1.00 0.00 N ATOM 46 CA ASP A 4 -2.106 -3.743 -0.652 1.00 0.00 C ATOM 47 C ASP A 4 -3.309 -3.873 -1.580 1.00 0.00 C ATOM 48 O ASP A 4 -4.420 -4.163 -1.136 1.00 0.00 O ATOM 49 CB ASP A 4 -1.647 -2.285 -0.592 1.00 0.00 C ATOM 50 CG ASP A 4 -2.810 -1.316 -0.505 1.00 0.00 C ATOM 51 OD1 ASP A 4 -3.692 -1.523 0.354 1.00 0.00 O ATOM 52 OD2 ASP A 4 -2.837 -0.350 -1.296 1.00 0.00 O ATOM 0 H ASP A 4 -0.613 -4.342 -1.998 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.405 -4.063 0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.997 -2.147 0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.053 -2.057 -1.477 1.00 0.00 H new ATOM 57 N ILE A 5 -3.080 -3.657 -2.871 1.00 0.00 N ATOM 58 CA ILE A 5 -4.145 -3.750 -3.862 1.00 0.00 C ATOM 59 C ILE A 5 -4.638 -5.186 -4.006 1.00 0.00 C ATOM 60 O ILE A 5 -5.701 -5.435 -4.575 1.00 0.00 O ATOM 61 CB ILE A 5 -3.681 -3.238 -5.238 1.00 0.00 C ATOM 62 CG1 ILE A 5 -4.705 -2.258 -5.814 1.00 0.00 C ATOM 63 CG2 ILE A 5 -3.461 -4.404 -6.190 1.00 0.00 C ATOM 64 CD1 ILE A 5 -4.441 -0.817 -5.438 1.00 0.00 C ATOM 0 H ILE A 5 -2.166 -3.416 -3.255 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.962 -3.122 -3.507 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.734 -2.713 -5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.709 -2.347 -6.900 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.700 -2.539 -5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.133 -4.026 -7.158 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.698 -5.068 -5.782 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.394 -4.955 -6.312 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.206 -0.179 -5.881 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.466 -0.714 -4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.460 -0.518 -5.808 1.00 0.00 H new ATOM 76 N LEU A 6 -3.858 -6.128 -3.485 1.00 0.00 N ATOM 77 CA LEU A 6 -4.216 -7.540 -3.554 1.00 0.00 C ATOM 78 C LEU A 6 -4.192 -8.176 -2.167 1.00 0.00 C ATOM 79 O LEU A 6 -4.078 -7.481 -1.157 1.00 0.00 O ATOM 80 CB LEU A 6 -3.257 -8.285 -4.484 1.00 0.00 C ATOM 81 CG LEU A 6 -3.905 -9.201 -5.523 1.00 0.00 C ATOM 82 CD1 LEU A 6 -4.330 -8.404 -6.747 1.00 0.00 C ATOM 83 CD2 LEU A 6 -2.952 -10.319 -5.917 1.00 0.00 C ATOM 0 H LEU A 6 -2.975 -5.939 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.229 -7.613 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.646 -7.550 -5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.581 -8.883 -3.873 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.795 -9.649 -5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.789 -9.073 -7.475 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.049 -7.640 -6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.457 -7.927 -7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.430 -10.961 -6.657 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.044 -9.890 -6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.698 -10.908 -5.036 1.00 0.00 H new ATOM 95 N SER A 7 -4.300 -9.500 -2.127 1.00 0.00 N ATOM 96 CA SER A 7 -4.292 -10.229 -0.864 1.00 0.00 C ATOM 97 C SER A 7 -2.871 -10.617 -0.469 1.00 0.00 C ATOM 98 O SER A 7 -2.164 -11.313 -1.198 1.00 0.00 O ATOM 99 CB SER A 7 -5.164 -11.482 -0.969 1.00 0.00 C ATOM 100 OG SER A 7 -5.616 -11.898 0.308 1.00 0.00 O ATOM 0 H SER A 7 -4.394 -10.090 -2.954 1.00 0.00 H new ATOM 0 HA SER A 7 -4.699 -9.575 -0.093 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.020 -11.280 -1.613 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.596 -12.286 -1.437 1.00 0.00 H new ATOM 0 HG SER A 7 -5.635 -12.877 0.345 1.00 0.00 H new ATOM 106 N PRO A 8 -2.440 -10.156 0.715 1.00 0.00 N ATOM 107 CA PRO A 8 -1.100 -10.441 1.235 1.00 0.00 C ATOM 108 C PRO A 8 -0.932 -11.904 1.634 1.00 0.00 C ATOM 109 O PRO A 8 0.185 -12.418 1.687 1.00 0.00 O ATOM 110 CB PRO A 8 -0.997 -9.537 2.466 1.00 0.00 C ATOM 111 CG PRO A 8 -2.407 -9.320 2.896 1.00 0.00 C ATOM 112 CD PRO A 8 -3.228 -9.320 1.636 1.00 0.00 C ATOM 0 HA PRO A 8 -0.326 -10.259 0.489 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.411 -10.008 3.255 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.507 -8.594 2.225 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.734 -10.108 3.575 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.511 -8.375 3.430 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.222 -9.735 1.804 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.365 -8.312 1.246 1.00 0.00 H new ATOM 120 N SER A 9 -2.049 -12.568 1.912 1.00 0.00 N ATOM 121 CA SER A 9 -2.025 -13.971 2.309 1.00 0.00 C ATOM 122 C SER A 9 -2.263 -14.880 1.107 1.00 0.00 C ATOM 123 O SER A 9 -2.730 -16.010 1.252 1.00 0.00 O ATOM 124 CB SER A 9 -3.083 -14.238 3.381 1.00 0.00 C ATOM 125 OG SER A 9 -4.384 -13.950 2.898 1.00 0.00 O ATOM 0 H SER A 9 -2.982 -12.157 1.870 1.00 0.00 H new ATOM 0 HA SER A 9 -1.039 -14.190 2.719 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.031 -15.280 3.696 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.875 -13.629 4.261 1.00 0.00 H new ATOM 0 HG SER A 9 -5.042 -14.131 3.602 1.00 0.00 H new ATOM 131 N ASP A 10 -1.938 -14.378 -0.079 1.00 0.00 N ATOM 132 CA ASP A 10 -2.115 -15.143 -1.308 1.00 0.00 C ATOM 133 C ASP A 10 -0.846 -15.113 -2.154 1.00 0.00 C ATOM 134 O ASP A 10 -0.510 -16.092 -2.821 1.00 0.00 O ATOM 135 CB ASP A 10 -3.293 -14.592 -2.113 1.00 0.00 C ATOM 136 CG ASP A 10 -4.631 -14.937 -1.490 1.00 0.00 C ATOM 137 OD1 ASP A 10 -4.973 -14.338 -0.449 1.00 0.00 O ATOM 138 OD2 ASP A 10 -5.337 -15.806 -2.044 1.00 0.00 O ATOM 0 H ASP A 10 -1.550 -13.444 -0.216 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.324 -16.177 -1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.201 -13.509 -2.192 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.254 -14.990 -3.127 1.00 0.00 H new ATOM 143 N ILE A 11 -0.146 -13.984 -2.122 1.00 0.00 N ATOM 144 CA ILE A 11 1.085 -13.827 -2.886 1.00 0.00 C ATOM 145 C ILE A 11 2.218 -14.648 -2.278 1.00 0.00 C ATOM 146 O ILE A 11 3.141 -15.064 -2.977 1.00 0.00 O ATOM 147 CB ILE A 11 1.518 -12.351 -2.960 1.00 0.00 C ATOM 148 CG1 ILE A 11 0.424 -11.508 -3.620 1.00 0.00 C ATOM 149 CG2 ILE A 11 2.828 -12.220 -3.722 1.00 0.00 C ATOM 150 CD1 ILE A 11 0.287 -10.124 -3.026 1.00 0.00 C ATOM 0 H ILE A 11 -0.411 -13.165 -1.575 1.00 0.00 H new ATOM 0 HA ILE A 11 0.879 -14.187 -3.894 1.00 0.00 H new ATOM 0 HB ILE A 11 1.672 -11.982 -1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.639 -11.418 -4.685 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.529 -12.029 -3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.120 -11.171 -3.765 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.604 -12.792 -3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.700 -12.603 -4.734 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.506 -9.583 -3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.041 -10.205 -1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.227 -9.584 -3.140 1.00 0.00 H new ATOM 162 N ALA A 12 2.139 -14.877 -0.971 1.00 0.00 N ATOM 163 CA ALA A 12 3.155 -15.651 -0.269 1.00 0.00 C ATOM 164 C ALA A 12 3.091 -17.124 -0.660 1.00 0.00 C ATOM 165 O ALA A 12 4.093 -17.836 -0.602 1.00 0.00 O ATOM 166 CB ALA A 12 2.992 -15.495 1.235 1.00 0.00 C ATOM 0 H ALA A 12 1.382 -14.538 -0.377 1.00 0.00 H new ATOM 0 HA ALA A 12 4.133 -15.267 -0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.758 -16.079 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.096 -14.444 1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.006 -15.850 1.533 1.00 0.00 H new ATOM 172 N ALA A 13 1.905 -17.575 -1.057 1.00 0.00 N ATOM 173 CA ALA A 13 1.710 -18.962 -1.458 1.00 0.00 C ATOM 174 C ALA A 13 2.275 -19.215 -2.852 1.00 0.00 C ATOM 175 O ALA A 13 2.482 -20.361 -3.249 1.00 0.00 O ATOM 176 CB ALA A 13 0.233 -19.323 -1.412 1.00 0.00 C ATOM 0 H ALA A 13 1.065 -16.999 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 13 2.249 -19.596 -0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.103 -20.362 -1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.143 -19.190 -0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.321 -18.675 -2.092 1.00 0.00 H new ATOM 182 N ALA A 14 2.523 -18.138 -3.589 1.00 0.00 N ATOM 183 CA ALA A 14 3.065 -18.244 -4.938 1.00 0.00 C ATOM 184 C ALA A 14 4.589 -18.306 -4.914 1.00 0.00 C ATOM 185 O ALA A 14 5.205 -18.986 -5.735 1.00 0.00 O ATOM 186 CB ALA A 14 2.596 -17.072 -5.789 1.00 0.00 C ATOM 0 H ALA A 14 2.357 -17.182 -3.275 1.00 0.00 H new ATOM 0 HA ALA A 14 2.696 -19.170 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.008 -17.164 -6.794 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.507 -17.073 -5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.936 -16.138 -5.341 1.00 0.00 H new ATOM 192 N LEU A 15 5.190 -17.592 -3.969 1.00 0.00 N ATOM 193 CA LEU A 15 6.643 -17.566 -3.838 1.00 0.00 C ATOM 194 C LEU A 15 7.170 -18.911 -3.348 1.00 0.00 C ATOM 195 O LEU A 15 8.343 -19.234 -3.534 1.00 0.00 O ATOM 196 CB LEU A 15 7.068 -16.456 -2.875 1.00 0.00 C ATOM 197 CG LEU A 15 6.726 -15.029 -3.303 1.00 0.00 C ATOM 198 CD1 LEU A 15 6.924 -14.063 -2.145 1.00 0.00 C ATOM 199 CD2 LEU A 15 7.571 -14.613 -4.498 1.00 0.00 C ATOM 0 H LEU A 15 4.694 -17.024 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 15 7.069 -17.367 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.604 -16.645 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.146 -16.522 -2.730 1.00 0.00 H new ATOM 0 HG LEU A 15 5.677 -15.000 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.676 -13.052 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.275 -14.349 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.963 -14.095 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.314 -13.594 -4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.627 -14.658 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.379 -15.288 -5.332 1.00 0.00 H new ATOM 211 N ARG A 16 6.294 -19.691 -2.722 1.00 0.00 N ATOM 212 CA ARG A 16 6.671 -21.001 -2.205 1.00 0.00 C ATOM 213 C ARG A 16 6.352 -22.097 -3.218 1.00 0.00 C ATOM 214 O ARG A 16 7.198 -22.936 -3.527 1.00 0.00 O ATOM 215 CB ARG A 16 5.945 -21.282 -0.888 1.00 0.00 C ATOM 216 CG ARG A 16 6.246 -22.654 -0.308 1.00 0.00 C ATOM 217 CD ARG A 16 4.969 -23.410 0.023 1.00 0.00 C ATOM 218 NE ARG A 16 4.081 -22.635 0.886 1.00 0.00 N ATOM 219 CZ ARG A 16 2.821 -22.972 1.135 1.00 0.00 C ATOM 220 NH1 ARG A 16 2.303 -24.065 0.591 1.00 0.00 N ATOM 221 NH2 ARG A 16 2.076 -22.216 1.931 1.00 0.00 N ATOM 0 H ARG A 16 5.319 -19.438 -2.561 1.00 0.00 H new ATOM 0 HA ARG A 16 7.746 -20.997 -2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.223 -20.520 -0.160 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.871 -21.192 -1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.837 -23.230 -1.020 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.850 -22.545 0.593 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.448 -23.662 -0.900 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.221 -24.350 0.514 1.00 0.00 H new ATOM 0 HE ARG A 16 4.449 -21.789 1.321 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.873 -24.649 -0.021 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.335 -24.321 0.784 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.471 -21.375 2.352 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.108 -22.476 2.122 1.00 0.00 H new ATOM 235 N ASP A 17 5.127 -22.083 -3.731 1.00 0.00 N ATOM 236 CA ASP A 17 4.695 -23.075 -4.709 1.00 0.00 C ATOM 237 C ASP A 17 5.584 -23.037 -5.948 1.00 0.00 C ATOM 238 O ASP A 17 5.947 -24.079 -6.496 1.00 0.00 O ATOM 239 CB ASP A 17 3.238 -22.833 -5.103 1.00 0.00 C ATOM 240 CG ASP A 17 2.577 -24.076 -5.666 1.00 0.00 C ATOM 241 OD1 ASP A 17 2.676 -25.143 -5.025 1.00 0.00 O ATOM 242 OD2 ASP A 17 1.959 -23.981 -6.747 1.00 0.00 O ATOM 0 H ASP A 17 4.415 -21.395 -3.486 1.00 0.00 H new ATOM 0 HA ASP A 17 4.780 -24.061 -4.253 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.681 -22.492 -4.231 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.193 -22.034 -5.843 1.00 0.00 H new ATOM 247 N CYS A 18 5.929 -21.831 -6.386 1.00 0.00 N ATOM 248 CA CYS A 18 6.773 -21.658 -7.563 1.00 0.00 C ATOM 249 C CYS A 18 8.192 -21.270 -7.161 1.00 0.00 C ATOM 250 O CYS A 18 8.887 -20.573 -7.900 1.00 0.00 O ATOM 251 CB CYS A 18 6.182 -20.593 -8.488 1.00 0.00 C ATOM 252 SG CYS A 18 4.792 -21.173 -9.488 1.00 0.00 S ATOM 0 H CYS A 18 5.637 -20.959 -5.944 1.00 0.00 H new ATOM 0 HA CYS A 18 6.812 -22.609 -8.095 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.854 -19.746 -7.886 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.966 -20.228 -9.152 1.00 0.00 H new ATOM 0 HG CYS A 18 5.226 -21.560 -10.651 1.00 0.00 H new ATOM 258 N GLN A 19 8.614 -21.724 -5.986 1.00 0.00 N ATOM 259 CA GLN A 19 9.950 -21.421 -5.485 1.00 0.00 C ATOM 260 C GLN A 19 11.012 -22.177 -6.277 1.00 0.00 C ATOM 261 O GLN A 19 12.172 -21.768 -6.326 1.00 0.00 O ATOM 262 CB GLN A 19 10.054 -21.776 -4.001 1.00 0.00 C ATOM 263 CG GLN A 19 10.156 -23.270 -3.738 1.00 0.00 C ATOM 264 CD GLN A 19 10.287 -23.595 -2.263 1.00 0.00 C ATOM 265 OE1 GLN A 19 11.287 -24.166 -1.828 1.00 0.00 O ATOM 266 NE2 GLN A 19 9.274 -23.233 -1.485 1.00 0.00 N ATOM 0 H GLN A 19 8.051 -22.303 -5.363 1.00 0.00 H new ATOM 0 HA GLN A 19 10.123 -20.352 -5.608 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.928 -21.281 -3.578 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.181 -21.383 -3.480 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.272 -23.767 -4.139 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.017 -23.671 -4.272 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.464 -22.762 -1.888 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.305 -23.426 -0.484 1.00 0.00 H new ATOM 275 N ALA A 20 10.608 -23.282 -6.894 1.00 0.00 N ATOM 276 CA ALA A 20 11.524 -24.094 -7.685 1.00 0.00 C ATOM 277 C ALA A 20 12.071 -23.308 -8.871 1.00 0.00 C ATOM 278 O ALA A 20 11.499 -22.305 -9.299 1.00 0.00 O ATOM 279 CB ALA A 20 10.829 -25.361 -8.163 1.00 0.00 C ATOM 0 H ALA A 20 9.652 -23.636 -6.861 1.00 0.00 H new ATOM 0 HA ALA A 20 12.365 -24.372 -7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.525 -25.958 -8.752 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.494 -25.939 -7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.969 -25.095 -8.777 1.00 0.00 H new ATOM 285 N PRO A 21 13.205 -23.772 -9.418 1.00 0.00 N ATOM 286 CA PRO A 21 13.853 -23.126 -10.563 1.00 0.00 C ATOM 287 C PRO A 21 13.052 -23.287 -11.850 1.00 0.00 C ATOM 288 O PRO A 21 12.526 -24.364 -12.134 1.00 0.00 O ATOM 289 CB PRO A 21 15.193 -23.859 -10.672 1.00 0.00 C ATOM 290 CG PRO A 21 14.946 -25.192 -10.054 1.00 0.00 C ATOM 291 CD PRO A 21 13.941 -24.962 -8.960 1.00 0.00 C ATOM 0 HA PRO A 21 13.950 -22.050 -10.422 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.508 -23.956 -11.711 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.983 -23.320 -10.149 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.565 -25.899 -10.791 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.868 -25.614 -9.654 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.280 -25.820 -8.835 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.425 -24.790 -7.999 1.00 0.00 H new ATOM 299 N ASP A 22 12.963 -22.212 -12.625 1.00 0.00 N ATOM 300 CA ASP A 22 12.226 -22.235 -13.883 1.00 0.00 C ATOM 301 C ASP A 22 10.788 -22.695 -13.663 1.00 0.00 C ATOM 302 O ASP A 22 10.151 -23.229 -14.571 1.00 0.00 O ATOM 303 CB ASP A 22 12.921 -23.155 -14.889 1.00 0.00 C ATOM 304 CG ASP A 22 12.481 -22.891 -16.315 1.00 0.00 C ATOM 305 OD1 ASP A 22 11.549 -22.082 -16.509 1.00 0.00 O ATOM 306 OD2 ASP A 22 13.069 -23.492 -17.238 1.00 0.00 O ATOM 0 H ASP A 22 13.392 -21.313 -12.404 1.00 0.00 H new ATOM 0 HA ASP A 22 12.206 -21.221 -14.283 1.00 0.00 H new ATOM 0 HB2 ASP A 22 14.000 -23.021 -14.814 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.710 -24.193 -14.633 1.00 0.00 H new ATOM 311 N SER A 23 10.284 -22.485 -12.451 1.00 0.00 N ATOM 312 CA SER A 23 8.924 -22.883 -12.110 1.00 0.00 C ATOM 313 C SER A 23 8.050 -21.660 -11.848 1.00 0.00 C ATOM 314 O SER A 23 6.827 -21.765 -11.754 1.00 0.00 O ATOM 315 CB SER A 23 8.929 -23.793 -10.880 1.00 0.00 C ATOM 316 OG SER A 23 9.053 -25.154 -11.254 1.00 0.00 O ATOM 0 H SER A 23 10.797 -22.042 -11.689 1.00 0.00 H new ATOM 0 HA SER A 23 8.509 -23.431 -12.956 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.753 -23.517 -10.222 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.008 -23.650 -10.314 1.00 0.00 H new ATOM 0 HG SER A 23 8.742 -25.725 -10.520 1.00 0.00 H new ATOM 322 N PHE A 24 8.687 -20.500 -11.730 1.00 0.00 N ATOM 323 CA PHE A 24 7.970 -19.255 -11.478 1.00 0.00 C ATOM 324 C PHE A 24 7.699 -18.510 -12.781 1.00 0.00 C ATOM 325 O PHE A 24 8.615 -18.251 -13.562 1.00 0.00 O ATOM 326 CB PHE A 24 8.769 -18.365 -10.524 1.00 0.00 C ATOM 327 CG PHE A 24 8.053 -17.102 -10.141 1.00 0.00 C ATOM 328 CD1 PHE A 24 6.821 -17.152 -9.510 1.00 0.00 C ATOM 329 CD2 PHE A 24 8.612 -15.863 -10.414 1.00 0.00 C ATOM 330 CE1 PHE A 24 6.160 -15.991 -9.156 1.00 0.00 C ATOM 331 CE2 PHE A 24 7.956 -14.699 -10.062 1.00 0.00 C ATOM 332 CZ PHE A 24 6.728 -14.763 -9.433 1.00 0.00 C ATOM 0 H PHE A 24 9.699 -20.396 -11.805 1.00 0.00 H new ATOM 0 HA PHE A 24 7.014 -19.503 -11.017 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.000 -18.930 -9.621 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.719 -18.107 -10.991 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.372 -18.110 -9.292 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.571 -15.807 -10.907 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.200 -16.044 -8.663 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.403 -13.740 -10.278 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.213 -13.854 -9.158 1.00 0.00 H new ATOM 342 N SER A 25 6.435 -18.168 -13.009 1.00 0.00 N ATOM 343 CA SER A 25 6.042 -17.455 -14.219 1.00 0.00 C ATOM 344 C SER A 25 4.985 -16.399 -13.909 1.00 0.00 C ATOM 345 O SER A 25 4.321 -16.435 -12.873 1.00 0.00 O ATOM 346 CB SER A 25 5.507 -18.438 -15.263 1.00 0.00 C ATOM 347 OG SER A 25 6.544 -18.890 -16.117 1.00 0.00 O ATOM 0 H SER A 25 5.665 -18.373 -12.372 1.00 0.00 H new ATOM 0 HA SER A 25 6.924 -16.954 -14.619 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.047 -19.290 -14.763 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.728 -17.957 -15.855 1.00 0.00 H new ATOM 0 HG SER A 25 6.177 -19.518 -16.774 1.00 0.00 H new ATOM 353 N PRO A 26 4.825 -15.436 -14.828 1.00 0.00 N ATOM 354 CA PRO A 26 3.851 -14.351 -14.677 1.00 0.00 C ATOM 355 C PRO A 26 2.413 -14.843 -14.800 1.00 0.00 C ATOM 356 O PRO A 26 1.522 -14.372 -14.091 1.00 0.00 O ATOM 357 CB PRO A 26 4.193 -13.404 -15.830 1.00 0.00 C ATOM 358 CG PRO A 26 4.842 -14.271 -16.853 1.00 0.00 C ATOM 359 CD PRO A 26 5.583 -15.332 -16.087 1.00 0.00 C ATOM 0 HA PRO A 26 3.909 -13.885 -13.693 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.298 -12.925 -16.227 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.862 -12.608 -15.503 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.099 -14.715 -17.516 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.523 -13.694 -17.478 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.599 -16.279 -16.626 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.620 -15.049 -15.909 1.00 0.00 H new ATOM 367 N LYS A 27 2.192 -15.792 -15.702 1.00 0.00 N ATOM 368 CA LYS A 27 0.862 -16.350 -15.917 1.00 0.00 C ATOM 369 C LYS A 27 0.662 -17.615 -15.089 1.00 0.00 C ATOM 370 O LYS A 27 -0.011 -18.552 -15.520 1.00 0.00 O ATOM 371 CB LYS A 27 0.650 -16.660 -17.401 1.00 0.00 C ATOM 372 CG LYS A 27 1.584 -17.730 -17.938 1.00 0.00 C ATOM 373 CD LYS A 27 1.794 -17.587 -19.436 1.00 0.00 C ATOM 374 CE LYS A 27 0.589 -18.086 -20.218 1.00 0.00 C ATOM 375 NZ LYS A 27 0.833 -18.060 -21.687 1.00 0.00 N ATOM 0 H LYS A 27 2.918 -16.192 -16.297 1.00 0.00 H new ATOM 0 HA LYS A 27 0.129 -15.609 -15.599 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.381 -16.980 -17.553 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.789 -15.746 -17.978 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.545 -17.665 -17.427 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.173 -18.716 -17.720 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.980 -16.541 -19.680 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.680 -18.146 -19.735 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.350 -19.103 -19.907 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.278 -17.469 -19.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.011 -18.407 -22.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.036 -17.085 -21.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.645 -18.669 -21.915 1.00 0.00 H new ATOM 389 N LYS A 28 1.248 -17.635 -13.897 1.00 0.00 N ATOM 390 CA LYS A 28 1.133 -18.784 -13.006 1.00 0.00 C ATOM 391 C LYS A 28 0.816 -18.338 -11.582 1.00 0.00 C ATOM 392 O LYS A 28 0.001 -18.954 -10.895 1.00 0.00 O ATOM 393 CB LYS A 28 2.428 -19.598 -13.020 1.00 0.00 C ATOM 394 CG LYS A 28 2.363 -20.859 -12.175 1.00 0.00 C ATOM 395 CD LYS A 28 1.604 -21.967 -12.885 1.00 0.00 C ATOM 396 CE LYS A 28 1.638 -23.264 -12.090 1.00 0.00 C ATOM 397 NZ LYS A 28 0.916 -23.138 -10.794 1.00 0.00 N ATOM 0 H LYS A 28 1.808 -16.868 -13.525 1.00 0.00 H new ATOM 0 HA LYS A 28 0.315 -19.409 -13.363 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.664 -19.872 -14.048 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.245 -18.972 -12.661 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.374 -21.198 -11.947 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.879 -20.636 -11.224 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.569 -21.660 -13.039 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.037 -22.132 -13.871 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.189 -24.063 -12.680 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.673 -23.548 -11.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.859 -24.070 -10.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.428 -22.479 -10.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.044 -22.777 -10.965 1.00 0.00 H new ATOM 411 N PHE A 29 1.464 -17.263 -11.145 1.00 0.00 N ATOM 412 CA PHE A 29 1.251 -16.735 -9.803 1.00 0.00 C ATOM 413 C PHE A 29 0.025 -15.826 -9.764 1.00 0.00 C ATOM 414 O PHE A 29 -0.603 -15.656 -8.719 1.00 0.00 O ATOM 415 CB PHE A 29 2.486 -15.964 -9.333 1.00 0.00 C ATOM 416 CG PHE A 29 2.504 -14.530 -9.779 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.719 -14.208 -11.109 1.00 0.00 C ATOM 418 CD2 PHE A 29 2.304 -13.505 -8.869 1.00 0.00 C ATOM 419 CE1 PHE A 29 2.737 -12.889 -11.523 1.00 0.00 C ATOM 420 CE2 PHE A 29 2.320 -12.184 -9.277 1.00 0.00 C ATOM 421 CZ PHE A 29 2.536 -11.876 -10.606 1.00 0.00 C ATOM 0 H PHE A 29 2.141 -16.741 -11.701 1.00 0.00 H new ATOM 0 HA PHE A 29 1.079 -17.577 -9.132 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.533 -15.998 -8.245 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.380 -16.463 -9.706 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.874 -14.996 -11.831 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.134 -13.740 -7.829 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.908 -12.651 -12.562 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.164 -11.394 -8.557 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.548 -10.845 -10.927 1.00 0.00 H new ATOM 431 N PHE A 30 -0.309 -15.245 -10.911 1.00 0.00 N ATOM 432 CA PHE A 30 -1.457 -14.352 -11.010 1.00 0.00 C ATOM 433 C PHE A 30 -2.711 -15.015 -10.447 1.00 0.00 C ATOM 434 O PHE A 30 -3.602 -14.342 -9.931 1.00 0.00 O ATOM 435 CB PHE A 30 -1.691 -13.946 -12.467 1.00 0.00 C ATOM 436 CG PHE A 30 -2.363 -15.012 -13.285 1.00 0.00 C ATOM 437 CD1 PHE A 30 -1.775 -16.257 -13.442 1.00 0.00 C ATOM 438 CD2 PHE A 30 -3.581 -14.768 -13.899 1.00 0.00 C ATOM 439 CE1 PHE A 30 -2.391 -17.240 -14.194 1.00 0.00 C ATOM 440 CE2 PHE A 30 -4.201 -15.747 -14.652 1.00 0.00 C ATOM 441 CZ PHE A 30 -3.605 -16.984 -14.801 1.00 0.00 C ATOM 0 H PHE A 30 0.199 -15.377 -11.785 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.243 -13.459 -10.422 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.300 -13.043 -12.491 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.734 -13.697 -12.925 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.825 -16.462 -12.972 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.051 -13.802 -13.788 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.923 -18.207 -14.307 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.151 -15.545 -15.124 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.087 -17.749 -15.391 1.00 0.00 H new ATOM 451 N GLN A 31 -2.771 -16.339 -10.552 1.00 0.00 N ATOM 452 CA GLN A 31 -3.916 -17.093 -10.055 1.00 0.00 C ATOM 453 C GLN A 31 -3.741 -17.439 -8.580 1.00 0.00 C ATOM 454 O GLN A 31 -4.719 -17.587 -7.847 1.00 0.00 O ATOM 455 CB GLN A 31 -4.105 -18.372 -10.873 1.00 0.00 C ATOM 456 CG GLN A 31 -3.200 -19.512 -10.435 1.00 0.00 C ATOM 457 CD GLN A 31 -3.006 -20.553 -11.521 1.00 0.00 C ATOM 458 OE1 GLN A 31 -3.972 -21.113 -12.039 1.00 0.00 O ATOM 459 NE2 GLN A 31 -1.753 -20.816 -11.872 1.00 0.00 N ATOM 0 H GLN A 31 -2.041 -16.911 -10.976 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.804 -16.469 -10.160 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.144 -18.693 -10.795 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.917 -18.153 -11.924 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.229 -19.110 -10.145 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.624 -19.989 -9.551 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.982 -20.328 -11.416 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.561 -21.506 -12.598 1.00 0.00 H new ATOM 468 N ILE A 32 -2.490 -17.566 -8.152 1.00 0.00 N ATOM 469 CA ILE A 32 -2.187 -17.895 -6.765 1.00 0.00 C ATOM 470 C ILE A 32 -2.405 -16.690 -5.855 1.00 0.00 C ATOM 471 O ILE A 32 -3.038 -16.799 -4.805 1.00 0.00 O ATOM 472 CB ILE A 32 -0.737 -18.388 -6.606 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.515 -19.661 -7.426 1.00 0.00 C ATOM 474 CG2 ILE A 32 -0.418 -18.634 -5.139 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.914 -19.841 -7.888 1.00 0.00 C ATOM 0 H ILE A 32 -1.670 -17.446 -8.746 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.867 -18.696 -6.475 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.064 -17.616 -6.979 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.806 -20.524 -6.828 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.170 -19.641 -8.297 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.611 -18.982 -5.044 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.541 -17.707 -4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.095 -19.390 -4.741 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.997 -20.763 -8.463 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.203 -18.996 -8.513 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.573 -19.893 -7.021 1.00 0.00 H new ATOM 487 N SER A 33 -1.878 -15.541 -6.267 1.00 0.00 N ATOM 488 CA SER A 33 -2.013 -14.316 -5.488 1.00 0.00 C ATOM 489 C SER A 33 -3.415 -13.731 -5.634 1.00 0.00 C ATOM 490 O SER A 33 -4.103 -13.485 -4.644 1.00 0.00 O ATOM 491 CB SER A 33 -0.970 -13.288 -5.931 1.00 0.00 C ATOM 492 OG SER A 33 -0.963 -13.143 -7.340 1.00 0.00 O ATOM 0 H SER A 33 -1.354 -15.433 -7.135 1.00 0.00 H new ATOM 0 HA SER A 33 -1.848 -14.561 -4.439 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.182 -12.326 -5.464 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.018 -13.597 -5.589 1.00 0.00 H new ATOM 0 HG SER A 33 -0.049 -13.253 -7.676 1.00 0.00 H new ATOM 498 N GLY A 34 -3.831 -13.511 -6.877 1.00 0.00 N ATOM 499 CA GLY A 34 -5.148 -12.957 -7.132 1.00 0.00 C ATOM 500 C GLY A 34 -5.101 -11.743 -8.039 1.00 0.00 C ATOM 501 O GLY A 34 -5.739 -10.728 -7.762 1.00 0.00 O ATOM 0 H GLY A 34 -3.279 -13.707 -7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.779 -13.721 -7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.612 -12.681 -6.185 1.00 0.00 H new ATOM 505 N MET A 35 -4.341 -11.847 -9.124 1.00 0.00 N ATOM 506 CA MET A 35 -4.213 -10.748 -10.074 1.00 0.00 C ATOM 507 C MET A 35 -5.126 -10.960 -11.278 1.00 0.00 C ATOM 508 O MET A 35 -5.536 -10.003 -11.934 1.00 0.00 O ATOM 509 CB MET A 35 -2.761 -10.613 -10.538 1.00 0.00 C ATOM 510 CG MET A 35 -1.833 -10.048 -9.475 1.00 0.00 C ATOM 511 SD MET A 35 -0.533 -9.009 -10.169 1.00 0.00 S ATOM 512 CE MET A 35 0.070 -10.058 -11.490 1.00 0.00 C ATOM 0 H MET A 35 -3.805 -12.680 -9.367 1.00 0.00 H new ATOM 0 HA MET A 35 -4.513 -9.829 -9.570 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.394 -11.592 -10.846 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.728 -9.969 -11.417 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.416 -9.466 -8.762 1.00 0.00 H new ATOM 0 HG3 MET A 35 -1.379 -10.869 -8.921 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.136 -9.885 -11.634 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.096 -11.103 -11.229 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.463 -9.825 -12.412 1.00 0.00 H new ATOM 522 N SER A 36 -5.440 -12.220 -11.561 1.00 0.00 N ATOM 523 CA SER A 36 -6.301 -12.558 -12.688 1.00 0.00 C ATOM 524 C SER A 36 -7.624 -11.803 -12.606 1.00 0.00 C ATOM 525 O SER A 36 -8.185 -11.396 -13.624 1.00 0.00 O ATOM 526 CB SER A 36 -6.563 -14.065 -12.724 1.00 0.00 C ATOM 527 OG SER A 36 -6.875 -14.498 -14.036 1.00 0.00 O ATOM 0 H SER A 36 -5.111 -13.023 -11.026 1.00 0.00 H new ATOM 0 HA SER A 36 -5.790 -12.263 -13.605 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.685 -14.599 -12.361 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.385 -14.310 -12.052 1.00 0.00 H new ATOM 0 HG SER A 36 -7.036 -15.465 -14.032 1.00 0.00 H new ATOM 533 N LYS A 37 -8.119 -11.619 -11.387 1.00 0.00 N ATOM 534 CA LYS A 37 -9.375 -10.911 -11.169 1.00 0.00 C ATOM 535 C LYS A 37 -9.258 -9.451 -11.594 1.00 0.00 C ATOM 536 O LYS A 37 -10.248 -8.821 -11.967 1.00 0.00 O ATOM 537 CB LYS A 37 -9.781 -10.994 -9.696 1.00 0.00 C ATOM 538 CG LYS A 37 -8.676 -10.587 -8.736 1.00 0.00 C ATOM 539 CD LYS A 37 -8.513 -11.599 -7.614 1.00 0.00 C ATOM 540 CE LYS A 37 -9.824 -11.834 -6.880 1.00 0.00 C ATOM 541 NZ LYS A 37 -10.426 -13.150 -7.227 1.00 0.00 N ATOM 0 H LYS A 37 -7.669 -11.951 -10.534 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.143 -11.387 -11.779 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.648 -10.355 -9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.089 -12.015 -9.470 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.737 -10.491 -9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.901 -9.608 -8.314 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.150 -12.542 -8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.759 -11.245 -6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.652 -11.786 -5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.526 -11.037 -7.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.419 -13.015 -7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.901 -13.574 -8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.379 -13.781 -6.402 1.00 0.00 H new ATOM 555 N LYS A 38 -8.042 -8.919 -11.538 1.00 0.00 N ATOM 556 CA LYS A 38 -7.794 -7.534 -11.920 1.00 0.00 C ATOM 557 C LYS A 38 -8.302 -7.259 -13.331 1.00 0.00 C ATOM 558 O LYS A 38 -8.808 -8.157 -14.005 1.00 0.00 O ATOM 559 CB LYS A 38 -6.299 -7.219 -11.834 1.00 0.00 C ATOM 560 CG LYS A 38 -5.702 -7.469 -10.460 1.00 0.00 C ATOM 561 CD LYS A 38 -6.439 -6.691 -9.382 1.00 0.00 C ATOM 562 CE LYS A 38 -7.400 -7.582 -8.610 1.00 0.00 C ATOM 563 NZ LYS A 38 -7.529 -7.158 -7.189 1.00 0.00 N ATOM 0 H LYS A 38 -7.212 -9.427 -11.231 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.335 -6.890 -11.226 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.766 -7.824 -12.568 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.140 -6.175 -12.105 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.742 -8.534 -10.233 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.650 -7.183 -10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.718 -6.249 -8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.990 -5.869 -9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.380 -7.558 -9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.051 -8.614 -8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.184 -7.917 -6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.966 -6.298 -7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.528 -6.962 -6.975 1.00 0.00 H new ATOM 577 N SER A 39 -8.163 -6.013 -13.774 1.00 0.00 N ATOM 578 CA SER A 39 -8.610 -5.621 -15.105 1.00 0.00 C ATOM 579 C SER A 39 -7.963 -4.306 -15.530 1.00 0.00 C ATOM 580 O SER A 39 -8.652 -3.334 -15.841 1.00 0.00 O ATOM 581 CB SER A 39 -10.133 -5.486 -15.136 1.00 0.00 C ATOM 582 OG SER A 39 -10.745 -6.701 -15.534 1.00 0.00 O ATOM 0 H SER A 39 -7.744 -5.258 -13.230 1.00 0.00 H new ATOM 0 HA SER A 39 -8.307 -6.399 -15.806 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.496 -5.199 -14.149 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.417 -4.690 -15.824 1.00 0.00 H new ATOM 0 HG SER A 39 -10.273 -7.455 -15.123 1.00 0.00 H new ATOM 588 N SER A 40 -6.634 -4.283 -15.539 1.00 0.00 N ATOM 589 CA SER A 40 -5.893 -3.086 -15.920 1.00 0.00 C ATOM 590 C SER A 40 -6.378 -1.872 -15.133 1.00 0.00 C ATOM 591 O SER A 40 -6.244 -0.734 -15.582 1.00 0.00 O ATOM 592 CB SER A 40 -6.040 -2.827 -17.421 1.00 0.00 C ATOM 593 OG SER A 40 -4.786 -2.534 -18.013 1.00 0.00 O ATOM 0 H SER A 40 -6.048 -5.079 -15.287 1.00 0.00 H new ATOM 0 HA SER A 40 -4.841 -3.250 -15.687 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.478 -3.701 -17.903 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.726 -1.996 -17.584 1.00 0.00 H new ATOM 0 HG SER A 40 -4.314 -3.370 -18.209 1.00 0.00 H new ATOM 599 N SER A 41 -6.942 -2.125 -13.957 1.00 0.00 N ATOM 600 CA SER A 41 -7.451 -1.054 -13.107 1.00 0.00 C ATOM 601 C SER A 41 -6.779 -1.081 -11.738 1.00 0.00 C ATOM 602 O SER A 41 -6.994 -0.195 -10.912 1.00 0.00 O ATOM 603 CB SER A 41 -8.967 -1.179 -12.947 1.00 0.00 C ATOM 604 OG SER A 41 -9.479 -0.146 -12.122 1.00 0.00 O ATOM 0 H SER A 41 -7.058 -3.062 -13.570 1.00 0.00 H new ATOM 0 HA SER A 41 -7.221 -0.102 -13.586 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.444 -1.137 -13.926 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.212 -2.149 -12.515 1.00 0.00 H new ATOM 0 HG SER A 41 -8.782 0.153 -11.501 1.00 0.00 H new ATOM 610 N GLN A 42 -5.965 -2.106 -11.505 1.00 0.00 N ATOM 611 CA GLN A 42 -5.262 -2.249 -10.236 1.00 0.00 C ATOM 612 C GLN A 42 -3.813 -2.669 -10.460 1.00 0.00 C ATOM 613 O GLN A 42 -3.024 -2.746 -9.517 1.00 0.00 O ATOM 614 CB GLN A 42 -5.971 -3.275 -9.349 1.00 0.00 C ATOM 615 CG GLN A 42 -7.433 -2.949 -9.092 1.00 0.00 C ATOM 616 CD GLN A 42 -8.375 -3.821 -9.899 1.00 0.00 C ATOM 617 OE1 GLN A 42 -9.429 -4.232 -9.413 1.00 0.00 O ATOM 618 NE2 GLN A 42 -8.001 -4.107 -11.141 1.00 0.00 N ATOM 0 H GLN A 42 -5.776 -2.849 -12.178 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.267 -1.281 -9.736 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.903 -4.257 -9.818 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.449 -3.341 -8.395 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.648 -3.073 -8.031 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.616 -1.902 -9.334 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.119 -3.745 -11.504 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.596 -4.688 -11.732 1.00 0.00 H new ATOM 627 N LEU A 43 -3.468 -2.939 -11.714 1.00 0.00 N ATOM 628 CA LEU A 43 -2.113 -3.352 -12.063 1.00 0.00 C ATOM 629 C LEU A 43 -1.146 -2.176 -11.974 1.00 0.00 C ATOM 630 O LEU A 43 -0.269 -2.142 -11.111 1.00 0.00 O ATOM 631 CB LEU A 43 -2.086 -3.944 -13.473 1.00 0.00 C ATOM 632 CG LEU A 43 -3.346 -4.691 -13.912 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.147 -5.313 -15.285 1.00 0.00 C ATOM 634 CD2 LEU A 43 -3.717 -5.756 -12.891 1.00 0.00 C ATOM 0 H LEU A 43 -4.108 -2.879 -12.506 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.797 -4.114 -11.350 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.902 -3.136 -14.181 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.240 -4.628 -13.542 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.166 -3.975 -13.976 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.054 -5.840 -15.581 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.930 -4.530 -16.011 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.314 -6.016 -15.249 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.616 -6.278 -13.220 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.898 -6.469 -12.795 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.903 -5.285 -11.926 1.00 0.00 H new ATOM 646 N LYS A 44 -1.313 -1.210 -12.872 1.00 0.00 N ATOM 647 CA LYS A 44 -0.458 -0.029 -12.894 1.00 0.00 C ATOM 648 C LYS A 44 -0.771 0.891 -11.719 1.00 0.00 C ATOM 649 O LYS A 44 -0.061 1.867 -11.477 1.00 0.00 O ATOM 650 CB LYS A 44 -0.635 0.730 -14.211 1.00 0.00 C ATOM 651 CG LYS A 44 -1.824 1.675 -14.213 1.00 0.00 C ATOM 652 CD LYS A 44 -3.132 0.926 -14.023 1.00 0.00 C ATOM 653 CE LYS A 44 -4.326 1.868 -14.074 1.00 0.00 C ATOM 654 NZ LYS A 44 -4.423 2.707 -12.847 1.00 0.00 N ATOM 0 H LYS A 44 -2.033 -1.222 -13.594 1.00 0.00 H new ATOM 0 HA LYS A 44 0.577 -0.359 -12.809 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.271 1.299 -14.417 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.751 0.011 -15.022 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.706 2.411 -13.418 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.852 2.224 -15.154 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.233 0.166 -14.798 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.119 0.405 -13.066 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.243 2.513 -14.949 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.241 1.288 -14.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.268 3.311 -12.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.493 2.092 -12.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.575 3.304 -12.767 1.00 0.00 H new ATOM 668 N GLU A 45 -1.837 0.573 -10.991 1.00 0.00 N ATOM 669 CA GLU A 45 -2.243 1.373 -9.841 1.00 0.00 C ATOM 670 C GLU A 45 -1.069 1.592 -8.890 1.00 0.00 C ATOM 671 O GLU A 45 -0.838 2.706 -8.419 1.00 0.00 O ATOM 672 CB GLU A 45 -3.394 0.691 -9.099 1.00 0.00 C ATOM 673 CG GLU A 45 -4.176 1.630 -8.195 1.00 0.00 C ATOM 674 CD GLU A 45 -3.344 2.157 -7.042 1.00 0.00 C ATOM 675 OE1 GLU A 45 -2.525 1.386 -6.499 1.00 0.00 O ATOM 676 OE2 GLU A 45 -3.511 3.342 -6.683 1.00 0.00 O ATOM 0 H GLU A 45 -2.435 -0.232 -11.177 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.580 2.344 -10.205 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.075 0.251 -9.828 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.995 -0.128 -8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.548 2.469 -8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.047 1.107 -7.800 1.00 0.00 H new ATOM 683 N ILE A 46 -0.333 0.521 -8.613 1.00 0.00 N ATOM 684 CA ILE A 46 0.816 0.596 -7.719 1.00 0.00 C ATOM 685 C ILE A 46 2.070 1.031 -8.471 1.00 0.00 C ATOM 686 O ILE A 46 2.953 1.676 -7.906 1.00 0.00 O ATOM 687 CB ILE A 46 1.086 -0.756 -7.033 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.233 -1.417 -6.626 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.985 -0.566 -5.821 1.00 0.00 C ATOM 690 CD1 ILE A 46 -0.695 -2.487 -7.591 1.00 0.00 C ATOM 0 H ILE A 46 -0.512 -0.408 -8.994 1.00 0.00 H new ATOM 0 HA ILE A 46 0.575 1.338 -6.958 1.00 0.00 H new ATOM 0 HB ILE A 46 1.597 -1.410 -7.740 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.119 -1.857 -5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.005 -0.651 -6.548 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.166 -1.531 -5.348 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.934 -0.133 -6.136 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.500 0.102 -5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.635 -2.912 -7.240 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.841 -2.048 -8.578 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.058 -3.273 -7.651 1.00 0.00 H new ATOM 702 N PHE A 47 2.140 0.674 -9.749 1.00 0.00 N ATOM 703 CA PHE A 47 3.286 1.027 -10.580 1.00 0.00 C ATOM 704 C PHE A 47 4.571 0.429 -10.016 1.00 0.00 C ATOM 705 O PHE A 47 5.672 0.869 -10.350 1.00 0.00 O ATOM 706 CB PHE A 47 3.419 2.548 -10.681 1.00 0.00 C ATOM 707 CG PHE A 47 2.595 3.150 -11.784 1.00 0.00 C ATOM 708 CD1 PHE A 47 2.708 2.684 -13.084 1.00 0.00 C ATOM 709 CD2 PHE A 47 1.708 4.181 -11.520 1.00 0.00 C ATOM 710 CE1 PHE A 47 1.951 3.237 -14.100 1.00 0.00 C ATOM 711 CE2 PHE A 47 0.949 4.737 -12.532 1.00 0.00 C ATOM 712 CZ PHE A 47 1.070 4.263 -13.824 1.00 0.00 C ATOM 0 H PHE A 47 1.417 0.141 -10.232 1.00 0.00 H new ATOM 0 HA PHE A 47 3.122 0.616 -11.576 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.123 2.994 -9.732 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.467 2.803 -10.840 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.395 1.880 -13.306 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.609 4.554 -10.512 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.049 2.866 -15.110 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.262 5.541 -12.313 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.476 4.694 -14.616 1.00 0.00 H new ATOM 722 N ARG A 48 4.423 -0.576 -9.159 1.00 0.00 N ATOM 723 CA ARG A 48 5.572 -1.234 -8.548 1.00 0.00 C ATOM 724 C ARG A 48 5.422 -2.751 -8.602 1.00 0.00 C ATOM 725 O ARG A 48 6.270 -3.487 -8.096 1.00 0.00 O ATOM 726 CB ARG A 48 5.734 -0.778 -7.096 1.00 0.00 C ATOM 727 CG ARG A 48 5.129 -1.739 -6.086 1.00 0.00 C ATOM 728 CD ARG A 48 5.181 -1.171 -4.676 1.00 0.00 C ATOM 729 NE ARG A 48 4.035 -1.590 -3.874 1.00 0.00 N ATOM 730 CZ ARG A 48 3.612 -0.935 -2.799 1.00 0.00 C ATOM 731 NH1 ARG A 48 4.236 0.164 -2.399 1.00 0.00 N ATOM 732 NH2 ARG A 48 2.561 -1.379 -2.121 1.00 0.00 N ATOM 0 H ARG A 48 3.519 -0.952 -8.872 1.00 0.00 H new ATOM 0 HA ARG A 48 6.462 -0.954 -9.112 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.795 -0.656 -6.878 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.269 0.201 -6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.094 -1.949 -6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.666 -2.687 -6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.101 -1.494 -4.189 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.211 -0.082 -4.725 1.00 0.00 H new ATOM 0 HE ARG A 48 3.532 -2.432 -4.155 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.044 0.509 -2.917 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.908 0.665 -1.573 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.078 -2.224 -2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.237 -0.875 -1.295 1.00 0.00 H new ATOM 746 N ILE A 49 4.339 -3.212 -9.219 1.00 0.00 N ATOM 747 CA ILE A 49 4.079 -4.641 -9.340 1.00 0.00 C ATOM 748 C ILE A 49 4.407 -5.143 -10.742 1.00 0.00 C ATOM 749 O ILE A 49 4.616 -6.338 -10.953 1.00 0.00 O ATOM 750 CB ILE A 49 2.611 -4.975 -9.018 1.00 0.00 C ATOM 751 CG1 ILE A 49 1.678 -4.302 -10.027 1.00 0.00 C ATOM 752 CG2 ILE A 49 2.268 -4.542 -7.601 1.00 0.00 C ATOM 753 CD1 ILE A 49 0.245 -4.777 -9.936 1.00 0.00 C ATOM 0 H ILE A 49 3.628 -2.616 -9.643 1.00 0.00 H new ATOM 0 HA ILE A 49 4.724 -5.141 -8.618 1.00 0.00 H new ATOM 0 HB ILE A 49 2.475 -6.054 -9.090 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.705 -3.224 -9.871 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.051 -4.488 -11.034 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.227 -4.785 -7.388 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.914 -5.064 -6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.417 -3.467 -7.503 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.358 -4.257 -10.680 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.205 -5.850 -10.121 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.146 -4.566 -8.941 1.00 0.00 H new ATOM 765 N LEU A 50 4.453 -4.221 -11.699 1.00 0.00 N ATOM 766 CA LEU A 50 4.758 -4.569 -13.082 1.00 0.00 C ATOM 767 C LEU A 50 6.250 -4.426 -13.363 1.00 0.00 C ATOM 768 O LEU A 50 6.929 -5.403 -13.678 1.00 0.00 O ATOM 769 CB LEU A 50 3.959 -3.683 -14.039 1.00 0.00 C ATOM 770 CG LEU A 50 2.502 -3.423 -13.655 1.00 0.00 C ATOM 771 CD1 LEU A 50 2.010 -2.125 -14.277 1.00 0.00 C ATOM 772 CD2 LEU A 50 1.622 -4.588 -14.082 1.00 0.00 C ATOM 0 H LEU A 50 4.283 -3.228 -11.542 1.00 0.00 H new ATOM 0 HA LEU A 50 4.476 -5.610 -13.240 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.468 -2.723 -14.124 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.977 -4.142 -15.028 1.00 0.00 H new ATOM 0 HG LEU A 50 2.443 -3.328 -12.571 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.971 -1.956 -13.993 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.623 -1.296 -13.922 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.083 -2.191 -15.363 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.589 -4.386 -13.801 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.686 -4.715 -15.163 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.960 -5.499 -13.589 1.00 0.00 H new ATOM 784 N ASP A 51 6.754 -3.202 -13.246 1.00 0.00 N ATOM 785 CA ASP A 51 8.167 -2.931 -13.484 1.00 0.00 C ATOM 786 C ASP A 51 8.662 -1.801 -12.587 1.00 0.00 C ATOM 787 O ASP A 51 7.898 -1.234 -11.807 1.00 0.00 O ATOM 788 CB ASP A 51 8.398 -2.571 -14.953 1.00 0.00 C ATOM 789 CG ASP A 51 7.698 -1.287 -15.352 1.00 0.00 C ATOM 790 OD1 ASP A 51 6.890 -0.778 -14.547 1.00 0.00 O ATOM 791 OD2 ASP A 51 7.956 -0.792 -16.469 1.00 0.00 O ATOM 0 H ASP A 51 6.205 -2.382 -12.988 1.00 0.00 H new ATOM 0 HA ASP A 51 8.730 -3.833 -13.246 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.468 -2.470 -15.135 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.043 -3.386 -15.584 1.00 0.00 H new ATOM 796 N ASN A 52 9.947 -1.481 -12.702 1.00 0.00 N ATOM 797 CA ASN A 52 10.545 -0.420 -11.900 1.00 0.00 C ATOM 798 C ASN A 52 11.065 0.706 -12.788 1.00 0.00 C ATOM 799 O ASN A 52 11.344 1.807 -12.312 1.00 0.00 O ATOM 800 CB ASN A 52 11.685 -0.979 -11.046 1.00 0.00 C ATOM 801 CG ASN A 52 12.306 0.075 -10.150 1.00 0.00 C ATOM 802 OD1 ASN A 52 11.624 0.984 -9.677 1.00 0.00 O ATOM 803 ND2 ASN A 52 13.608 -0.042 -9.913 1.00 0.00 N ATOM 0 H ASN A 52 10.594 -1.941 -13.343 1.00 0.00 H new ATOM 0 HA ASN A 52 9.774 -0.015 -11.245 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.308 -1.797 -10.433 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.453 -1.396 -11.698 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.081 0.638 -9.318 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.134 -0.812 -10.326 1.00 0.00 H new ATOM 810 N ASP A 53 11.191 0.423 -14.080 1.00 0.00 N ATOM 811 CA ASP A 53 11.676 1.413 -15.035 1.00 0.00 C ATOM 812 C ASP A 53 10.677 2.556 -15.188 1.00 0.00 C ATOM 813 O ASP A 53 11.064 3.711 -15.363 1.00 0.00 O ATOM 814 CB ASP A 53 11.932 0.758 -16.394 1.00 0.00 C ATOM 815 CG ASP A 53 13.167 -0.122 -16.389 1.00 0.00 C ATOM 816 OD1 ASP A 53 13.903 -0.106 -15.380 1.00 0.00 O ATOM 817 OD2 ASP A 53 13.396 -0.827 -17.393 1.00 0.00 O ATOM 0 H ASP A 53 10.964 -0.483 -14.490 1.00 0.00 H new ATOM 0 HA ASP A 53 12.612 1.821 -14.654 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.065 0.161 -16.675 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.045 1.533 -17.152 1.00 0.00 H new ATOM 822 N GLN A 54 9.392 2.224 -15.121 1.00 0.00 N ATOM 823 CA GLN A 54 8.338 3.224 -15.253 1.00 0.00 C ATOM 824 C GLN A 54 8.544 4.070 -16.505 1.00 0.00 C ATOM 825 O GLN A 54 8.168 5.241 -16.544 1.00 0.00 O ATOM 826 CB GLN A 54 8.300 4.123 -14.016 1.00 0.00 C ATOM 827 CG GLN A 54 6.902 4.334 -13.460 1.00 0.00 C ATOM 828 CD GLN A 54 6.443 3.185 -12.583 1.00 0.00 C ATOM 829 OE1 GLN A 54 6.654 3.193 -11.370 1.00 0.00 O ATOM 830 NE2 GLN A 54 5.810 2.190 -13.194 1.00 0.00 N ATOM 0 H GLN A 54 9.055 1.272 -14.976 1.00 0.00 H new ATOM 0 HA GLN A 54 7.386 2.701 -15.342 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.928 3.686 -13.240 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.732 5.092 -14.268 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.881 5.258 -12.882 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.202 4.458 -14.286 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.657 2.225 -14.202 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.477 1.390 -12.655 1.00 0.00 H new ATOM 839 N SER A 55 9.145 3.468 -17.527 1.00 0.00 N ATOM 840 CA SER A 55 9.406 4.168 -18.780 1.00 0.00 C ATOM 841 C SER A 55 8.368 3.797 -19.835 1.00 0.00 C ATOM 842 O SER A 55 8.194 4.505 -20.826 1.00 0.00 O ATOM 843 CB SER A 55 10.810 3.838 -19.291 1.00 0.00 C ATOM 844 OG SER A 55 11.796 4.555 -18.569 1.00 0.00 O ATOM 0 H SER A 55 9.460 2.498 -17.512 1.00 0.00 H new ATOM 0 HA SER A 55 9.339 5.239 -18.590 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.992 2.767 -19.197 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.881 4.082 -20.351 1.00 0.00 H new ATOM 0 HG SER A 55 12.685 4.326 -18.913 1.00 0.00 H new ATOM 850 N GLY A 56 7.681 2.680 -19.614 1.00 0.00 N ATOM 851 CA GLY A 56 6.670 2.233 -20.553 1.00 0.00 C ATOM 852 C GLY A 56 6.847 0.781 -20.949 1.00 0.00 C ATOM 853 O GLY A 56 5.876 0.091 -21.261 1.00 0.00 O ATOM 0 H GLY A 56 7.807 2.077 -18.801 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.683 2.368 -20.111 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.707 2.857 -21.446 1.00 0.00 H new ATOM 857 N PHE A 57 8.092 0.314 -20.939 1.00 0.00 N ATOM 858 CA PHE A 57 8.394 -1.065 -21.303 1.00 0.00 C ATOM 859 C PHE A 57 9.114 -1.782 -20.164 1.00 0.00 C ATOM 860 O PHE A 57 9.288 -1.227 -19.079 1.00 0.00 O ATOM 861 CB PHE A 57 9.253 -1.104 -22.569 1.00 0.00 C ATOM 862 CG PHE A 57 10.666 -0.643 -22.349 1.00 0.00 C ATOM 863 CD1 PHE A 57 10.946 0.697 -22.136 1.00 0.00 C ATOM 864 CD2 PHE A 57 11.713 -1.550 -22.357 1.00 0.00 C ATOM 865 CE1 PHE A 57 12.244 1.125 -21.933 1.00 0.00 C ATOM 866 CE2 PHE A 57 13.014 -1.128 -22.155 1.00 0.00 C ATOM 867 CZ PHE A 57 13.280 0.211 -21.944 1.00 0.00 C ATOM 0 H PHE A 57 8.907 0.871 -20.683 1.00 0.00 H new ATOM 0 HA PHE A 57 7.452 -1.579 -21.495 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.268 -2.122 -22.957 1.00 0.00 H new ATOM 0 HB3 PHE A 57 8.790 -0.479 -23.332 1.00 0.00 H new ATOM 0 HD1 PHE A 57 10.140 1.416 -22.129 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.511 -2.598 -22.523 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.448 2.172 -21.766 1.00 0.00 H new ATOM 0 HE2 PHE A 57 13.822 -1.845 -22.162 1.00 0.00 H new ATOM 0 HZ PHE A 57 14.296 0.543 -21.788 1.00 0.00 H new ATOM 877 N ILE A 58 9.528 -3.019 -20.420 1.00 0.00 N ATOM 878 CA ILE A 58 10.228 -3.812 -19.418 1.00 0.00 C ATOM 879 C ILE A 58 11.371 -4.604 -20.044 1.00 0.00 C ATOM 880 O ILE A 58 11.327 -4.948 -21.224 1.00 0.00 O ATOM 881 CB ILE A 58 9.273 -4.787 -18.704 1.00 0.00 C ATOM 882 CG1 ILE A 58 8.002 -4.059 -18.263 1.00 0.00 C ATOM 883 CG2 ILE A 58 9.965 -5.427 -17.509 1.00 0.00 C ATOM 884 CD1 ILE A 58 6.987 -4.964 -17.600 1.00 0.00 C ATOM 0 H ILE A 58 9.390 -3.493 -21.313 1.00 0.00 H new ATOM 0 HA ILE A 58 10.632 -3.112 -18.687 1.00 0.00 H new ATOM 0 HB ILE A 58 8.994 -5.576 -19.403 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.272 -3.261 -17.572 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.543 -3.587 -19.132 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.277 -6.113 -17.015 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.844 -5.975 -17.848 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.270 -4.651 -16.807 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.112 -4.381 -17.313 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.689 -5.748 -18.296 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.428 -5.416 -16.712 1.00 0.00 H new ATOM 896 N GLU A 59 12.393 -4.891 -19.243 1.00 0.00 N ATOM 897 CA GLU A 59 13.548 -5.643 -19.720 1.00 0.00 C ATOM 898 C GLU A 59 13.954 -6.712 -18.710 1.00 0.00 C ATOM 899 O GLU A 59 13.524 -6.687 -17.557 1.00 0.00 O ATOM 900 CB GLU A 59 14.724 -4.702 -19.984 1.00 0.00 C ATOM 901 CG GLU A 59 15.626 -5.158 -21.119 1.00 0.00 C ATOM 902 CD GLU A 59 16.567 -4.067 -21.591 1.00 0.00 C ATOM 903 OE1 GLU A 59 17.494 -3.715 -20.831 1.00 0.00 O ATOM 904 OE2 GLU A 59 16.378 -3.566 -22.719 1.00 0.00 O ATOM 0 H GLU A 59 12.444 -4.615 -18.263 1.00 0.00 H new ATOM 0 HA GLU A 59 13.270 -6.134 -20.652 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.339 -3.709 -20.214 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.317 -4.611 -19.074 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.209 -6.019 -20.791 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.011 -5.489 -21.956 1.00 0.00 H new ATOM 911 N GLU A 60 14.786 -7.650 -19.152 1.00 0.00 N ATOM 912 CA GLU A 60 15.250 -8.729 -18.287 1.00 0.00 C ATOM 913 C GLU A 60 15.975 -8.173 -17.065 1.00 0.00 C ATOM 914 O GLU A 60 16.114 -8.854 -16.049 1.00 0.00 O ATOM 915 CB GLU A 60 16.177 -9.669 -19.060 1.00 0.00 C ATOM 916 CG GLU A 60 17.407 -8.981 -19.627 1.00 0.00 C ATOM 917 CD GLU A 60 17.969 -9.697 -20.840 1.00 0.00 C ATOM 918 OE1 GLU A 60 18.667 -10.716 -20.657 1.00 0.00 O ATOM 919 OE2 GLU A 60 17.711 -9.238 -21.972 1.00 0.00 O ATOM 0 H GLU A 60 15.152 -7.685 -20.103 1.00 0.00 H new ATOM 0 HA GLU A 60 14.378 -9.288 -17.947 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.495 -10.476 -18.400 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.618 -10.126 -19.877 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.152 -7.957 -19.900 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.175 -8.924 -18.855 1.00 0.00 H new ATOM 926 N ASP A 61 16.435 -6.931 -17.172 1.00 0.00 N ATOM 927 CA ASP A 61 17.145 -6.282 -16.076 1.00 0.00 C ATOM 928 C ASP A 61 16.170 -5.789 -15.012 1.00 0.00 C ATOM 929 O ASP A 61 16.579 -5.268 -13.975 1.00 0.00 O ATOM 930 CB ASP A 61 17.979 -5.113 -16.602 1.00 0.00 C ATOM 931 CG ASP A 61 18.865 -4.505 -15.532 1.00 0.00 C ATOM 932 OD1 ASP A 61 19.399 -5.269 -14.701 1.00 0.00 O ATOM 933 OD2 ASP A 61 19.023 -3.266 -15.525 1.00 0.00 O ATOM 0 H ASP A 61 16.329 -6.354 -18.006 1.00 0.00 H new ATOM 0 HA ASP A 61 17.809 -7.017 -15.621 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.599 -5.456 -17.430 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.314 -4.346 -16.998 1.00 0.00 H new ATOM 938 N GLU A 62 14.878 -5.958 -15.277 1.00 0.00 N ATOM 939 CA GLU A 62 13.845 -5.528 -14.343 1.00 0.00 C ATOM 940 C GLU A 62 12.939 -6.694 -13.959 1.00 0.00 C ATOM 941 O GLU A 62 11.789 -6.498 -13.563 1.00 0.00 O ATOM 942 CB GLU A 62 13.011 -4.399 -14.953 1.00 0.00 C ATOM 943 CG GLU A 62 13.606 -3.018 -14.739 1.00 0.00 C ATOM 944 CD GLU A 62 13.851 -2.708 -13.275 1.00 0.00 C ATOM 945 OE1 GLU A 62 13.262 -3.397 -12.416 1.00 0.00 O ATOM 946 OE2 GLU A 62 14.632 -1.777 -12.989 1.00 0.00 O ATOM 0 H GLU A 62 14.523 -6.389 -16.130 1.00 0.00 H new ATOM 0 HA GLU A 62 14.337 -5.160 -13.442 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.902 -4.577 -16.023 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.010 -4.425 -14.522 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.547 -2.943 -15.285 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.934 -2.268 -15.158 1.00 0.00 H new ATOM 953 N LEU A 63 13.464 -7.908 -14.080 1.00 0.00 N ATOM 954 CA LEU A 63 12.704 -9.108 -13.747 1.00 0.00 C ATOM 955 C LEU A 63 13.344 -9.851 -12.579 1.00 0.00 C ATOM 956 O LEU A 63 12.651 -10.437 -11.747 1.00 0.00 O ATOM 957 CB LEU A 63 12.610 -10.030 -14.963 1.00 0.00 C ATOM 958 CG LEU A 63 12.186 -9.370 -16.276 1.00 0.00 C ATOM 959 CD1 LEU A 63 12.132 -10.396 -17.397 1.00 0.00 C ATOM 960 CD2 LEU A 63 10.839 -8.680 -16.115 1.00 0.00 C ATOM 0 H LEU A 63 14.413 -8.088 -14.406 1.00 0.00 H new ATOM 0 HA LEU A 63 11.700 -8.802 -13.453 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.582 -10.500 -15.113 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.902 -10.827 -14.735 1.00 0.00 H new ATOM 0 HG LEU A 63 12.929 -8.616 -16.538 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.829 -9.908 -18.323 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.117 -10.843 -17.529 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.411 -11.174 -17.144 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.553 -8.216 -17.059 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.086 -9.414 -15.829 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.912 -7.915 -15.342 1.00 0.00 H new ATOM 972 N LYS A 64 14.671 -9.821 -12.521 1.00 0.00 N ATOM 973 CA LYS A 64 15.406 -10.488 -11.453 1.00 0.00 C ATOM 974 C LYS A 64 15.001 -9.940 -10.089 1.00 0.00 C ATOM 975 O LYS A 64 14.728 -10.700 -9.159 1.00 0.00 O ATOM 976 CB LYS A 64 16.913 -10.315 -11.658 1.00 0.00 C ATOM 977 CG LYS A 64 17.339 -8.869 -11.841 1.00 0.00 C ATOM 978 CD LYS A 64 18.795 -8.766 -12.264 1.00 0.00 C ATOM 979 CE LYS A 64 18.999 -9.264 -13.686 1.00 0.00 C ATOM 980 NZ LYS A 64 20.220 -8.681 -14.308 1.00 0.00 N ATOM 0 H LYS A 64 15.260 -9.341 -13.202 1.00 0.00 H new ATOM 0 HA LYS A 64 15.161 -11.550 -11.485 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.439 -10.734 -10.800 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.221 -10.889 -12.532 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.707 -8.395 -12.592 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.191 -8.324 -10.909 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.124 -7.730 -12.190 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.415 -9.347 -11.581 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.077 -10.351 -13.682 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.127 -9.009 -14.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.324 -9.045 -15.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 20.135 -7.645 -14.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 21.055 -8.945 -13.747 1.00 0.00 H new ATOM 994 N TYR A 65 14.963 -8.617 -9.975 1.00 0.00 N ATOM 995 CA TYR A 65 14.592 -7.967 -8.724 1.00 0.00 C ATOM 996 C TYR A 65 13.079 -7.988 -8.527 1.00 0.00 C ATOM 997 O TYR A 65 12.476 -6.981 -8.154 1.00 0.00 O ATOM 998 CB TYR A 65 15.100 -6.525 -8.704 1.00 0.00 C ATOM 999 CG TYR A 65 16.518 -6.376 -9.208 1.00 0.00 C ATOM 1000 CD1 TYR A 65 17.556 -7.112 -8.650 1.00 0.00 C ATOM 1001 CD2 TYR A 65 16.819 -5.498 -10.242 1.00 0.00 C ATOM 1002 CE1 TYR A 65 18.853 -6.978 -9.107 1.00 0.00 C ATOM 1003 CE2 TYR A 65 18.113 -5.359 -10.707 1.00 0.00 C ATOM 1004 CZ TYR A 65 19.126 -6.101 -10.136 1.00 0.00 C ATOM 1005 OH TYR A 65 20.416 -5.965 -10.595 1.00 0.00 O ATOM 0 H TYR A 65 15.185 -7.973 -10.735 1.00 0.00 H new ATOM 0 HA TYR A 65 15.054 -8.519 -7.906 1.00 0.00 H new ATOM 0 HB2 TYR A 65 14.440 -5.908 -9.313 1.00 0.00 H new ATOM 0 HB3 TYR A 65 15.043 -6.143 -7.685 1.00 0.00 H new ATOM 0 HD1 TYR A 65 17.345 -7.801 -7.845 1.00 0.00 H new ATOM 0 HD2 TYR A 65 16.028 -4.914 -10.690 1.00 0.00 H new ATOM 0 HE1 TYR A 65 19.648 -7.557 -8.661 1.00 0.00 H new ATOM 0 HE2 TYR A 65 18.330 -4.673 -11.513 1.00 0.00 H new ATOM 0 HH TYR A 65 20.437 -5.309 -11.323 1.00 0.00 H new ATOM 1015 N PHE A 66 12.472 -9.142 -8.780 1.00 0.00 N ATOM 1016 CA PHE A 66 11.029 -9.296 -8.631 1.00 0.00 C ATOM 1017 C PHE A 66 10.683 -9.893 -7.270 1.00 0.00 C ATOM 1018 O PHE A 66 10.089 -9.227 -6.421 1.00 0.00 O ATOM 1019 CB PHE A 66 10.472 -10.184 -9.746 1.00 0.00 C ATOM 1020 CG PHE A 66 8.975 -10.303 -9.725 1.00 0.00 C ATOM 1021 CD1 PHE A 66 8.347 -11.159 -8.834 1.00 0.00 C ATOM 1022 CD2 PHE A 66 8.195 -9.560 -10.596 1.00 0.00 C ATOM 1023 CE1 PHE A 66 6.970 -11.271 -8.814 1.00 0.00 C ATOM 1024 CE2 PHE A 66 6.817 -9.668 -10.580 1.00 0.00 C ATOM 1025 CZ PHE A 66 6.204 -10.524 -9.687 1.00 0.00 C ATOM 0 H PHE A 66 12.956 -9.985 -9.089 1.00 0.00 H new ATOM 0 HA PHE A 66 10.574 -8.308 -8.701 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.783 -9.781 -10.710 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.909 -11.179 -9.660 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.941 -11.745 -8.148 1.00 0.00 H new ATOM 0 HD2 PHE A 66 8.669 -8.888 -11.296 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.493 -11.943 -8.116 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.221 -9.084 -11.265 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.127 -10.609 -9.671 1.00 0.00 H new ATOM 1035 N LEU A 67 11.058 -11.151 -7.070 1.00 0.00 N ATOM 1036 CA LEU A 67 10.788 -11.839 -5.812 1.00 0.00 C ATOM 1037 C LEU A 67 11.275 -11.015 -4.625 1.00 0.00 C ATOM 1038 O LEU A 67 10.749 -11.132 -3.519 1.00 0.00 O ATOM 1039 CB LEU A 67 11.462 -13.212 -5.804 1.00 0.00 C ATOM 1040 CG LEU A 67 11.151 -14.120 -6.995 1.00 0.00 C ATOM 1041 CD1 LEU A 67 11.743 -15.504 -6.781 1.00 0.00 C ATOM 1042 CD2 LEU A 67 9.648 -14.209 -7.219 1.00 0.00 C ATOM 0 H LEU A 67 11.550 -11.716 -7.762 1.00 0.00 H new ATOM 0 HA LEU A 67 9.710 -11.969 -5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.541 -13.065 -5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.172 -13.732 -4.891 1.00 0.00 H new ATOM 0 HG LEU A 67 11.606 -13.687 -7.886 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.511 -16.135 -7.639 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.824 -15.424 -6.671 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.318 -15.946 -5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.445 -14.859 -8.070 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.171 -14.618 -6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.250 -13.214 -7.419 1.00 0.00 H new ATOM 1054 N GLN A 68 12.280 -10.179 -4.864 1.00 0.00 N ATOM 1055 CA GLN A 68 12.836 -9.334 -3.814 1.00 0.00 C ATOM 1056 C GLN A 68 11.732 -8.582 -3.078 1.00 0.00 C ATOM 1057 O GLN A 68 11.705 -8.547 -1.847 1.00 0.00 O ATOM 1058 CB GLN A 68 13.838 -8.341 -4.406 1.00 0.00 C ATOM 1059 CG GLN A 68 14.783 -7.743 -3.376 1.00 0.00 C ATOM 1060 CD GLN A 68 16.106 -7.313 -3.979 1.00 0.00 C ATOM 1061 OE1 GLN A 68 16.553 -6.182 -3.784 1.00 0.00 O ATOM 1062 NE2 GLN A 68 16.742 -8.216 -4.716 1.00 0.00 N ATOM 0 H GLN A 68 12.726 -10.069 -5.775 1.00 0.00 H new ATOM 0 HA GLN A 68 13.351 -9.977 -3.100 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.424 -8.844 -5.176 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.292 -7.535 -4.897 1.00 0.00 H new ATOM 0 HG2 GLN A 68 14.305 -6.883 -2.906 1.00 0.00 H new ATOM 0 HG3 GLN A 68 14.967 -8.475 -2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.335 -9.142 -4.852 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.637 -7.984 -5.146 1.00 0.00 H new ATOM 1071 N ARG A 69 10.822 -7.983 -3.839 1.00 0.00 N ATOM 1072 CA ARG A 69 9.716 -7.230 -3.259 1.00 0.00 C ATOM 1073 C ARG A 69 8.980 -8.064 -2.214 1.00 0.00 C ATOM 1074 O ARG A 69 9.123 -7.840 -1.012 1.00 0.00 O ATOM 1075 CB ARG A 69 8.742 -6.789 -4.353 1.00 0.00 C ATOM 1076 CG ARG A 69 9.143 -5.493 -5.038 1.00 0.00 C ATOM 1077 CD ARG A 69 8.668 -4.279 -4.255 1.00 0.00 C ATOM 1078 NE ARG A 69 9.535 -3.990 -3.115 1.00 0.00 N ATOM 1079 CZ ARG A 69 10.720 -3.400 -3.225 1.00 0.00 C ATOM 1080 NH1 ARG A 69 11.177 -3.038 -4.415 1.00 0.00 N ATOM 1081 NH2 ARG A 69 11.451 -3.171 -2.141 1.00 0.00 N ATOM 0 H ARG A 69 10.829 -8.004 -4.859 1.00 0.00 H new ATOM 0 HA ARG A 69 10.127 -6.347 -2.771 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.668 -7.578 -5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.750 -6.668 -3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.227 -5.457 -5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.723 -5.466 -6.043 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.635 -3.412 -4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.651 -4.450 -3.903 1.00 0.00 H new ATOM 0 HE ARG A 69 9.213 -4.256 -2.184 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.618 -3.212 -5.250 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.087 -2.585 -4.496 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.103 -3.448 -1.223 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.361 -2.718 -2.226 1.00 0.00 H new ATOM 1095 N PHE A 70 8.192 -9.027 -2.681 1.00 0.00 N ATOM 1096 CA PHE A 70 7.433 -9.894 -1.788 1.00 0.00 C ATOM 1097 C PHE A 70 8.359 -10.620 -0.817 1.00 0.00 C ATOM 1098 O PHE A 70 8.370 -10.330 0.379 1.00 0.00 O ATOM 1099 CB PHE A 70 6.624 -10.911 -2.596 1.00 0.00 C ATOM 1100 CG PHE A 70 5.771 -10.287 -3.662 1.00 0.00 C ATOM 1101 CD1 PHE A 70 4.615 -9.600 -3.330 1.00 0.00 C ATOM 1102 CD2 PHE A 70 6.124 -10.389 -4.998 1.00 0.00 C ATOM 1103 CE1 PHE A 70 3.827 -9.024 -4.309 1.00 0.00 C ATOM 1104 CE2 PHE A 70 5.341 -9.815 -5.982 1.00 0.00 C ATOM 1105 CZ PHE A 70 4.190 -9.133 -5.637 1.00 0.00 C ATOM 0 H PHE A 70 8.063 -9.226 -3.673 1.00 0.00 H new ATOM 0 HA PHE A 70 6.749 -9.271 -1.212 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.308 -11.622 -3.059 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.987 -11.478 -1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.326 -9.513 -2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.021 -10.923 -5.274 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.929 -8.490 -4.036 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.629 -9.900 -7.020 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.575 -8.686 -6.404 1.00 0.00 H new ATOM 1115 N GLU A 71 9.134 -11.565 -1.341 1.00 0.00 N ATOM 1116 CA GLU A 71 10.062 -12.333 -0.520 1.00 0.00 C ATOM 1117 C GLU A 71 10.945 -11.408 0.314 1.00 0.00 C ATOM 1118 O GLU A 71 11.053 -10.215 0.032 1.00 0.00 O ATOM 1119 CB GLU A 71 10.934 -13.230 -1.400 1.00 0.00 C ATOM 1120 CG GLU A 71 11.267 -14.569 -0.763 1.00 0.00 C ATOM 1121 CD GLU A 71 11.651 -15.622 -1.785 1.00 0.00 C ATOM 1122 OE1 GLU A 71 12.803 -15.588 -2.267 1.00 0.00 O ATOM 1123 OE2 GLU A 71 10.800 -16.479 -2.102 1.00 0.00 O ATOM 0 H GLU A 71 9.137 -11.817 -2.329 1.00 0.00 H new ATOM 0 HA GLU A 71 9.477 -12.957 0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.422 -13.405 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.862 -12.706 -1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.087 -14.437 -0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.407 -14.919 -0.192 1.00 0.00 H new ATOM 1130 N SER A 72 11.573 -11.968 1.343 1.00 0.00 N ATOM 1131 CA SER A 72 12.442 -11.194 2.221 1.00 0.00 C ATOM 1132 C SER A 72 13.896 -11.635 2.072 1.00 0.00 C ATOM 1133 O SER A 72 14.764 -11.216 2.836 1.00 0.00 O ATOM 1134 CB SER A 72 11.998 -11.346 3.677 1.00 0.00 C ATOM 1135 OG SER A 72 11.011 -10.385 4.011 1.00 0.00 O ATOM 0 H SER A 72 11.496 -12.955 1.589 1.00 0.00 H new ATOM 0 HA SER A 72 12.367 -10.145 1.934 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.603 -12.349 3.837 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.858 -11.233 4.337 1.00 0.00 H new ATOM 0 HG SER A 72 10.742 -10.504 4.946 1.00 0.00 H new ATOM 1141 N GLY A 73 14.152 -12.484 1.082 1.00 0.00 N ATOM 1142 CA GLY A 73 15.500 -12.969 0.850 1.00 0.00 C ATOM 1143 C GLY A 73 15.813 -13.129 -0.624 1.00 0.00 C ATOM 1144 O GLY A 73 16.834 -13.711 -0.989 1.00 0.00 O ATOM 0 H GLY A 73 13.450 -12.845 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.214 -12.277 1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.629 -13.928 1.352 1.00 0.00 H new ATOM 1148 N ALA A 74 14.932 -12.612 -1.474 1.00 0.00 N ATOM 1149 CA ALA A 74 15.120 -12.700 -2.917 1.00 0.00 C ATOM 1150 C ALA A 74 16.130 -11.666 -3.403 1.00 0.00 C ATOM 1151 O ALA A 74 15.951 -10.465 -3.198 1.00 0.00 O ATOM 1152 CB ALA A 74 13.790 -12.519 -3.634 1.00 0.00 C ATOM 0 H ALA A 74 14.081 -12.128 -1.188 1.00 0.00 H new ATOM 0 HA ALA A 74 15.513 -13.690 -3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.945 -12.587 -4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.097 -13.298 -3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.374 -11.542 -3.388 1.00 0.00 H new ATOM 1158 N ARG A 75 17.191 -12.140 -4.047 1.00 0.00 N ATOM 1159 CA ARG A 75 18.231 -11.256 -4.561 1.00 0.00 C ATOM 1160 C ARG A 75 18.251 -11.269 -6.086 1.00 0.00 C ATOM 1161 O ARG A 75 18.244 -10.218 -6.727 1.00 0.00 O ATOM 1162 CB ARG A 75 19.599 -11.675 -4.019 1.00 0.00 C ATOM 1163 CG ARG A 75 19.801 -13.181 -3.973 1.00 0.00 C ATOM 1164 CD ARG A 75 21.115 -13.546 -3.300 1.00 0.00 C ATOM 1165 NE ARG A 75 20.956 -14.639 -2.345 1.00 0.00 N ATOM 1166 CZ ARG A 75 20.670 -15.888 -2.698 1.00 0.00 C ATOM 1167 NH1 ARG A 75 20.514 -16.200 -3.977 1.00 0.00 N ATOM 1168 NH2 ARG A 75 20.541 -16.828 -1.770 1.00 0.00 N ATOM 0 H ARG A 75 17.354 -13.131 -4.226 1.00 0.00 H new ATOM 0 HA ARG A 75 18.009 -10.243 -4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.378 -11.231 -4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.722 -11.270 -3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 75 18.974 -13.644 -3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 75 19.786 -13.582 -4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.844 -13.831 -4.059 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.514 -12.671 -2.787 1.00 0.00 H new ATOM 0 HE ARG A 75 21.071 -14.433 -1.353 1.00 0.00 H new ATOM 0 HH11 ARG A 75 20.613 -15.481 -4.693 1.00 0.00 H new ATOM 0 HH12 ARG A 75 20.295 -17.159 -4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 75 20.661 -16.592 -0.785 1.00 0.00 H new ATOM 0 HH22 ARG A 75 20.321 -17.786 -2.042 1.00 0.00 H new ATOM 1182 N VAL A 76 18.276 -12.467 -6.663 1.00 0.00 N ATOM 1183 CA VAL A 76 18.296 -12.616 -8.113 1.00 0.00 C ATOM 1184 C VAL A 76 17.521 -13.855 -8.548 1.00 0.00 C ATOM 1185 O VAL A 76 17.423 -14.833 -7.805 1.00 0.00 O ATOM 1186 CB VAL A 76 19.737 -12.712 -8.648 1.00 0.00 C ATOM 1187 CG1 VAL A 76 19.751 -12.614 -10.166 1.00 0.00 C ATOM 1188 CG2 VAL A 76 20.608 -11.630 -8.027 1.00 0.00 C ATOM 0 H VAL A 76 18.283 -13.348 -6.148 1.00 0.00 H new ATOM 0 HA VAL A 76 17.821 -11.728 -8.529 1.00 0.00 H new ATOM 0 HB VAL A 76 20.147 -13.682 -8.367 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.778 -12.684 -10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.162 -13.428 -10.589 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.323 -11.660 -10.473 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.623 -11.712 -8.416 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.202 -10.649 -8.276 1.00 0.00 H new ATOM 0 HG23 VAL A 76 20.623 -11.752 -6.944 1.00 0.00 H new ATOM 1198 N LEU A 77 16.972 -13.808 -9.757 1.00 0.00 N ATOM 1199 CA LEU A 77 16.205 -14.928 -10.293 1.00 0.00 C ATOM 1200 C LEU A 77 17.005 -15.678 -11.354 1.00 0.00 C ATOM 1201 O LEU A 77 18.100 -15.260 -11.732 1.00 0.00 O ATOM 1202 CB LEU A 77 14.887 -14.430 -10.889 1.00 0.00 C ATOM 1203 CG LEU A 77 13.750 -14.191 -9.896 1.00 0.00 C ATOM 1204 CD1 LEU A 77 13.001 -12.912 -10.240 1.00 0.00 C ATOM 1205 CD2 LEU A 77 12.799 -15.379 -9.878 1.00 0.00 C ATOM 0 H LEU A 77 17.043 -13.007 -10.385 1.00 0.00 H new ATOM 0 HA LEU A 77 15.990 -15.614 -9.474 1.00 0.00 H new ATOM 0 HB2 LEU A 77 15.081 -13.498 -11.420 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.549 -15.155 -11.630 1.00 0.00 H new ATOM 0 HG LEU A 77 14.180 -14.080 -8.901 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.195 -12.758 -9.522 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.688 -12.067 -10.201 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.583 -12.994 -11.243 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.996 -15.191 -9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.376 -15.522 -10.872 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.343 -16.276 -9.583 1.00 0.00 H new ATOM 1217 N THR A 78 16.450 -16.787 -11.832 1.00 0.00 N ATOM 1218 CA THR A 78 17.111 -17.595 -12.849 1.00 0.00 C ATOM 1219 C THR A 78 17.001 -16.945 -14.224 1.00 0.00 C ATOM 1220 O THR A 78 16.270 -15.972 -14.404 1.00 0.00 O ATOM 1221 CB THR A 78 16.514 -19.014 -12.915 1.00 0.00 C ATOM 1222 OG1 THR A 78 15.176 -18.959 -13.423 1.00 0.00 O ATOM 1223 CG2 THR A 78 16.515 -19.665 -11.540 1.00 0.00 C ATOM 0 H THR A 78 15.544 -17.146 -11.531 1.00 0.00 H new ATOM 0 HA THR A 78 18.161 -17.664 -12.565 1.00 0.00 H new ATOM 0 HB THR A 78 17.131 -19.614 -13.584 1.00 0.00 H new ATOM 0 HG1 THR A 78 14.546 -19.206 -12.714 1.00 0.00 H new ATOM 0 HG21 THR A 78 16.089 -20.666 -11.611 1.00 0.00 H new ATOM 0 HG22 THR A 78 17.538 -19.731 -11.170 1.00 0.00 H new ATOM 0 HG23 THR A 78 15.919 -19.065 -10.853 1.00 0.00 H new ATOM 1231 N ALA A 79 17.731 -17.491 -15.191 1.00 0.00 N ATOM 1232 CA ALA A 79 17.713 -16.965 -16.551 1.00 0.00 C ATOM 1233 C ALA A 79 16.483 -17.452 -17.311 1.00 0.00 C ATOM 1234 O ALA A 79 16.272 -17.087 -18.467 1.00 0.00 O ATOM 1235 CB ALA A 79 18.983 -17.363 -17.287 1.00 0.00 C ATOM 0 H ALA A 79 18.342 -18.297 -15.058 1.00 0.00 H new ATOM 0 HA ALA A 79 17.665 -15.878 -16.494 1.00 0.00 H new ATOM 0 HB1 ALA A 79 18.956 -16.964 -18.301 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.849 -16.961 -16.761 1.00 0.00 H new ATOM 0 HB3 ALA A 79 19.055 -18.450 -17.327 1.00 0.00 H new ATOM 1241 N SER A 80 15.676 -18.278 -16.654 1.00 0.00 N ATOM 1242 CA SER A 80 14.470 -18.818 -17.270 1.00 0.00 C ATOM 1243 C SER A 80 13.225 -18.124 -16.727 1.00 0.00 C ATOM 1244 O SER A 80 12.413 -17.598 -17.488 1.00 0.00 O ATOM 1245 CB SER A 80 14.376 -20.325 -17.021 1.00 0.00 C ATOM 1246 OG SER A 80 15.090 -21.050 -18.008 1.00 0.00 O ATOM 0 H SER A 80 15.835 -18.588 -15.695 1.00 0.00 H new ATOM 0 HA SER A 80 14.528 -18.636 -18.343 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.774 -20.559 -16.034 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.330 -20.633 -17.024 1.00 0.00 H new ATOM 0 HG SER A 80 15.016 -22.010 -17.826 1.00 0.00 H new ATOM 1252 N GLU A 81 13.082 -18.126 -15.405 1.00 0.00 N ATOM 1253 CA GLU A 81 11.935 -17.497 -14.760 1.00 0.00 C ATOM 1254 C GLU A 81 11.725 -16.080 -15.286 1.00 0.00 C ATOM 1255 O GLU A 81 10.608 -15.693 -15.632 1.00 0.00 O ATOM 1256 CB GLU A 81 12.130 -17.466 -13.242 1.00 0.00 C ATOM 1257 CG GLU A 81 11.797 -18.781 -12.559 1.00 0.00 C ATOM 1258 CD GLU A 81 12.353 -18.864 -11.151 1.00 0.00 C ATOM 1259 OE1 GLU A 81 11.885 -18.098 -10.283 1.00 0.00 O ATOM 1260 OE2 GLU A 81 13.257 -19.694 -10.917 1.00 0.00 O ATOM 0 H GLU A 81 13.745 -18.556 -14.760 1.00 0.00 H new ATOM 0 HA GLU A 81 11.049 -18.088 -14.994 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.165 -17.204 -13.022 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.505 -16.679 -12.820 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.715 -18.905 -12.526 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.194 -19.605 -13.152 1.00 0.00 H new ATOM 1267 N THR A 82 12.807 -15.309 -15.343 1.00 0.00 N ATOM 1268 CA THR A 82 12.742 -13.935 -15.825 1.00 0.00 C ATOM 1269 C THR A 82 12.492 -13.891 -17.328 1.00 0.00 C ATOM 1270 O THR A 82 11.627 -13.154 -17.803 1.00 0.00 O ATOM 1271 CB THR A 82 14.039 -13.167 -15.508 1.00 0.00 C ATOM 1272 OG1 THR A 82 15.171 -13.899 -15.990 1.00 0.00 O ATOM 1273 CG2 THR A 82 14.178 -12.934 -14.011 1.00 0.00 C ATOM 0 H THR A 82 13.739 -15.613 -15.061 1.00 0.00 H new ATOM 0 HA THR A 82 11.910 -13.457 -15.308 1.00 0.00 H new ATOM 0 HB THR A 82 13.994 -12.199 -16.007 1.00 0.00 H new ATOM 0 HG1 THR A 82 15.429 -14.575 -15.329 1.00 0.00 H new ATOM 0 HG21 THR A 82 15.101 -12.390 -13.812 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.329 -12.351 -13.653 1.00 0.00 H new ATOM 0 HG23 THR A 82 14.203 -13.893 -13.494 1.00 0.00 H new ATOM 1281 N LYS A 83 13.254 -14.684 -18.073 1.00 0.00 N ATOM 1282 CA LYS A 83 13.115 -14.737 -19.523 1.00 0.00 C ATOM 1283 C LYS A 83 11.654 -14.918 -19.923 1.00 0.00 C ATOM 1284 O LYS A 83 11.168 -14.268 -20.850 1.00 0.00 O ATOM 1285 CB LYS A 83 13.957 -15.880 -20.095 1.00 0.00 C ATOM 1286 CG LYS A 83 13.718 -16.131 -21.574 1.00 0.00 C ATOM 1287 CD LYS A 83 14.745 -17.090 -22.151 1.00 0.00 C ATOM 1288 CE LYS A 83 15.962 -16.350 -22.684 1.00 0.00 C ATOM 1289 NZ LYS A 83 16.942 -16.044 -21.606 1.00 0.00 N ATOM 0 H LYS A 83 13.975 -15.299 -17.696 1.00 0.00 H new ATOM 0 HA LYS A 83 13.471 -13.792 -19.932 1.00 0.00 H new ATOM 0 HB2 LYS A 83 15.012 -15.656 -19.939 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.740 -16.793 -19.540 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.717 -16.539 -21.717 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.758 -15.186 -22.115 1.00 0.00 H new ATOM 0 HD2 LYS A 83 15.056 -17.797 -21.382 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.291 -17.671 -22.954 1.00 0.00 H new ATOM 0 HE2 LYS A 83 16.445 -16.952 -23.453 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.643 -15.422 -23.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 17.899 -15.992 -22.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.702 -15.132 -21.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 16.911 -16.794 -20.886 1.00 0.00 H new ATOM 1303 N THR A 84 10.957 -15.804 -19.218 1.00 0.00 N ATOM 1304 CA THR A 84 9.552 -16.069 -19.500 1.00 0.00 C ATOM 1305 C THR A 84 8.645 -15.195 -18.641 1.00 0.00 C ATOM 1306 O THR A 84 7.562 -15.618 -18.235 1.00 0.00 O ATOM 1307 CB THR A 84 9.200 -17.549 -19.256 1.00 0.00 C ATOM 1308 OG1 THR A 84 7.849 -17.804 -19.657 1.00 0.00 O ATOM 1309 CG2 THR A 84 9.377 -17.913 -17.790 1.00 0.00 C ATOM 0 H THR A 84 11.343 -16.350 -18.448 1.00 0.00 H new ATOM 0 HA THR A 84 9.390 -15.833 -20.552 1.00 0.00 H new ATOM 0 HB THR A 84 9.877 -18.163 -19.850 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.254 -17.148 -19.237 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.123 -18.963 -17.642 1.00 0.00 H new ATOM 0 HG22 THR A 84 10.413 -17.746 -17.496 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.722 -17.292 -17.179 1.00 0.00 H new ATOM 1317 N PHE A 85 9.093 -13.974 -18.369 1.00 0.00 N ATOM 1318 CA PHE A 85 8.320 -13.040 -17.558 1.00 0.00 C ATOM 1319 C PHE A 85 7.774 -11.901 -18.413 1.00 0.00 C ATOM 1320 O PHE A 85 6.635 -11.465 -18.233 1.00 0.00 O ATOM 1321 CB PHE A 85 9.185 -12.476 -16.429 1.00 0.00 C ATOM 1322 CG PHE A 85 8.452 -12.334 -15.126 1.00 0.00 C ATOM 1323 CD1 PHE A 85 8.193 -13.443 -14.336 1.00 0.00 C ATOM 1324 CD2 PHE A 85 8.022 -11.091 -14.690 1.00 0.00 C ATOM 1325 CE1 PHE A 85 7.518 -13.314 -13.137 1.00 0.00 C ATOM 1326 CE2 PHE A 85 7.347 -10.956 -13.491 1.00 0.00 C ATOM 1327 CZ PHE A 85 7.095 -12.070 -12.714 1.00 0.00 C ATOM 0 H PHE A 85 9.987 -13.608 -18.698 1.00 0.00 H new ATOM 0 HA PHE A 85 7.479 -13.582 -17.126 1.00 0.00 H new ATOM 0 HB2 PHE A 85 10.047 -13.127 -16.283 1.00 0.00 H new ATOM 0 HB3 PHE A 85 9.569 -11.501 -16.729 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.522 -14.419 -14.661 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.216 -10.217 -15.294 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.322 -14.186 -12.531 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.017 -9.981 -13.162 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.568 -11.968 -11.777 1.00 0.00 H new ATOM 1337 N LEU A 86 8.593 -11.421 -19.342 1.00 0.00 N ATOM 1338 CA LEU A 86 8.193 -10.331 -20.226 1.00 0.00 C ATOM 1339 C LEU A 86 8.261 -10.762 -21.687 1.00 0.00 C ATOM 1340 O LEU A 86 7.613 -10.171 -22.550 1.00 0.00 O ATOM 1341 CB LEU A 86 9.087 -9.111 -20.000 1.00 0.00 C ATOM 1342 CG LEU A 86 10.579 -9.314 -20.266 1.00 0.00 C ATOM 1343 CD1 LEU A 86 10.852 -9.373 -21.761 1.00 0.00 C ATOM 1344 CD2 LEU A 86 11.393 -8.203 -19.617 1.00 0.00 C ATOM 0 H LEU A 86 9.538 -11.769 -19.503 1.00 0.00 H new ATOM 0 HA LEU A 86 7.162 -10.066 -19.992 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.731 -8.302 -20.638 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.964 -8.781 -18.968 1.00 0.00 H new ATOM 0 HG LEU A 86 10.881 -10.264 -19.825 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.919 -9.518 -21.931 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.299 -10.204 -22.199 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.534 -8.440 -22.226 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.452 -8.364 -19.817 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.088 -7.241 -20.028 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.222 -8.208 -18.541 1.00 0.00 H new ATOM 1356 N ALA A 87 9.049 -11.798 -21.957 1.00 0.00 N ATOM 1357 CA ALA A 87 9.198 -12.311 -23.313 1.00 0.00 C ATOM 1358 C ALA A 87 7.979 -13.127 -23.729 1.00 0.00 C ATOM 1359 O ALA A 87 7.859 -13.538 -24.882 1.00 0.00 O ATOM 1360 CB ALA A 87 10.461 -13.153 -23.423 1.00 0.00 C ATOM 0 H ALA A 87 9.594 -12.298 -21.254 1.00 0.00 H new ATOM 0 HA ALA A 87 9.281 -11.460 -23.989 1.00 0.00 H new ATOM 0 HB1 ALA A 87 10.560 -13.530 -24.441 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.329 -12.541 -23.177 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.400 -13.992 -22.730 1.00 0.00 H new ATOM 1366 N ALA A 88 7.076 -13.358 -22.781 1.00 0.00 N ATOM 1367 CA ALA A 88 5.865 -14.124 -23.050 1.00 0.00 C ATOM 1368 C ALA A 88 4.725 -13.211 -23.489 1.00 0.00 C ATOM 1369 O ALA A 88 3.680 -13.681 -23.938 1.00 0.00 O ATOM 1370 CB ALA A 88 5.461 -14.922 -21.819 1.00 0.00 C ATOM 0 H ALA A 88 7.160 -13.026 -21.820 1.00 0.00 H new ATOM 0 HA ALA A 88 6.076 -14.817 -23.865 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.555 -15.489 -22.034 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.264 -15.609 -21.551 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.274 -14.241 -20.989 1.00 0.00 H new ATOM 1376 N ALA A 89 4.933 -11.906 -23.356 1.00 0.00 N ATOM 1377 CA ALA A 89 3.923 -10.928 -23.740 1.00 0.00 C ATOM 1378 C ALA A 89 3.732 -10.902 -25.253 1.00 0.00 C ATOM 1379 O ALA A 89 2.743 -11.420 -25.772 1.00 0.00 O ATOM 1380 CB ALA A 89 4.305 -9.546 -23.231 1.00 0.00 C ATOM 0 H ALA A 89 5.792 -11.501 -22.985 1.00 0.00 H new ATOM 0 HA ALA A 89 2.977 -11.222 -23.285 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.541 -8.826 -23.525 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.384 -9.568 -22.144 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.264 -9.253 -23.658 1.00 0.00 H new ATOM 1386 N ASP A 90 4.683 -10.296 -25.955 1.00 0.00 N ATOM 1387 CA ASP A 90 4.619 -10.202 -27.409 1.00 0.00 C ATOM 1388 C ASP A 90 5.985 -9.854 -27.991 1.00 0.00 C ATOM 1389 O ASP A 90 6.994 -9.868 -27.286 1.00 0.00 O ATOM 1390 CB ASP A 90 3.588 -9.153 -27.829 1.00 0.00 C ATOM 1391 CG ASP A 90 4.166 -7.752 -27.854 1.00 0.00 C ATOM 1392 OD1 ASP A 90 4.775 -7.343 -26.843 1.00 0.00 O ATOM 1393 OD2 ASP A 90 4.010 -7.063 -28.884 1.00 0.00 O ATOM 0 H ASP A 90 5.508 -9.862 -25.541 1.00 0.00 H new ATOM 0 HA ASP A 90 4.315 -11.174 -27.799 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.203 -9.402 -28.818 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.743 -9.182 -27.141 1.00 0.00 H new ATOM 1453 N LYS A 96 10.755 -5.640 -25.587 1.00 0.00 N ATOM 1454 CA LYS A 96 10.225 -4.570 -24.751 1.00 0.00 C ATOM 1455 C LYS A 96 8.700 -4.583 -24.750 1.00 0.00 C ATOM 1456 O LYS A 96 8.071 -4.669 -25.805 1.00 0.00 O ATOM 1457 CB LYS A 96 10.734 -3.212 -25.242 1.00 0.00 C ATOM 1458 CG LYS A 96 10.511 -2.981 -26.727 1.00 0.00 C ATOM 1459 CD LYS A 96 10.254 -1.514 -27.030 1.00 0.00 C ATOM 1460 CE LYS A 96 10.005 -1.287 -28.513 1.00 0.00 C ATOM 1461 NZ LYS A 96 9.618 0.122 -28.801 1.00 0.00 N ATOM 0 HA LYS A 96 10.572 -4.735 -23.731 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.235 -2.422 -24.681 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.799 -3.133 -25.026 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.384 -3.321 -27.284 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.664 -3.577 -27.066 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.393 -1.169 -26.458 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.109 -0.920 -26.708 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.904 -1.539 -29.075 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.217 -1.957 -28.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.457 0.236 -29.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.746 0.355 -28.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.381 0.760 -28.497 1.00 0.00 H new ATOM 1475 N ILE A 97 8.113 -4.497 -23.561 1.00 0.00 N ATOM 1476 CA ILE A 97 6.662 -4.497 -23.425 1.00 0.00 C ATOM 1477 C ILE A 97 6.078 -3.127 -23.757 1.00 0.00 C ATOM 1478 O ILE A 97 6.746 -2.105 -23.610 1.00 0.00 O ATOM 1479 CB ILE A 97 6.230 -4.896 -22.002 1.00 0.00 C ATOM 1480 CG1 ILE A 97 7.047 -6.094 -21.514 1.00 0.00 C ATOM 1481 CG2 ILE A 97 4.742 -5.214 -21.969 1.00 0.00 C ATOM 1482 CD1 ILE A 97 6.938 -7.306 -22.413 1.00 0.00 C ATOM 0 H ILE A 97 8.620 -4.426 -22.679 1.00 0.00 H new ATOM 0 HA ILE A 97 6.279 -5.233 -24.132 1.00 0.00 H new ATOM 0 HB ILE A 97 6.417 -4.056 -21.333 1.00 0.00 H new ATOM 0 HG12 ILE A 97 8.094 -5.802 -21.437 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.717 -6.365 -20.511 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.452 -5.494 -20.956 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.175 -4.336 -22.279 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.531 -6.040 -22.648 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.542 -8.117 -22.006 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.897 -7.624 -22.471 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.296 -7.052 -23.411 1.00 0.00 H new ATOM 1494 N GLY A 98 4.826 -3.116 -24.203 1.00 0.00 N ATOM 1495 CA GLY A 98 4.173 -1.866 -24.547 1.00 0.00 C ATOM 1496 C GLY A 98 3.129 -1.458 -23.526 1.00 0.00 C ATOM 1497 O GLY A 98 2.149 -0.795 -23.862 1.00 0.00 O ATOM 0 H GLY A 98 4.252 -3.949 -24.332 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.922 -1.079 -24.630 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.702 -1.963 -25.525 1.00 0.00 H new ATOM 1501 N ALA A 99 3.339 -1.856 -22.275 1.00 0.00 N ATOM 1502 CA ALA A 99 2.409 -1.527 -21.203 1.00 0.00 C ATOM 1503 C ALA A 99 0.977 -1.879 -21.590 1.00 0.00 C ATOM 1504 O ALA A 99 0.046 -1.123 -21.315 1.00 0.00 O ATOM 1505 CB ALA A 99 2.514 -0.051 -20.847 1.00 0.00 C ATOM 0 H ALA A 99 4.145 -2.407 -21.980 1.00 0.00 H new ATOM 0 HA ALA A 99 2.677 -2.120 -20.329 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.813 0.180 -20.045 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.529 0.173 -20.518 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.275 0.552 -21.723 1.00 0.00 H new ATOM 1511 N GLU A 100 0.809 -3.032 -22.232 1.00 0.00 N ATOM 1512 CA GLU A 100 -0.511 -3.482 -22.658 1.00 0.00 C ATOM 1513 C GLU A 100 -0.567 -5.005 -22.738 1.00 0.00 C ATOM 1514 O GLU A 100 -1.573 -5.618 -22.384 1.00 0.00 O ATOM 1515 CB GLU A 100 -0.866 -2.876 -24.017 1.00 0.00 C ATOM 1516 CG GLU A 100 0.161 -3.164 -25.100 1.00 0.00 C ATOM 1517 CD GLU A 100 -0.290 -4.251 -26.057 1.00 0.00 C ATOM 1518 OE1 GLU A 100 -1.155 -5.063 -25.669 1.00 0.00 O ATOM 1519 OE2 GLU A 100 0.223 -4.287 -27.195 1.00 0.00 O ATOM 0 H GLU A 100 1.569 -3.670 -22.468 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.238 -3.147 -21.918 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.835 -3.261 -24.335 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.973 -1.797 -23.907 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.358 -2.250 -25.661 1.00 0.00 H new ATOM 0 HG3 GLU A 100 1.101 -3.462 -24.635 1.00 0.00 H new ATOM 1526 N GLU A 101 0.522 -5.608 -23.205 1.00 0.00 N ATOM 1527 CA GLU A 101 0.597 -7.058 -23.332 1.00 0.00 C ATOM 1528 C GLU A 101 0.712 -7.720 -21.962 1.00 0.00 C ATOM 1529 O GLU A 101 -0.152 -8.499 -21.562 1.00 0.00 O ATOM 1530 CB GLU A 101 1.789 -7.455 -24.205 1.00 0.00 C ATOM 1531 CG GLU A 101 1.807 -6.769 -25.560 1.00 0.00 C ATOM 1532 CD GLU A 101 2.598 -5.475 -25.548 1.00 0.00 C ATOM 1533 OE1 GLU A 101 2.861 -4.951 -24.445 1.00 0.00 O ATOM 1534 OE2 GLU A 101 2.954 -4.986 -26.641 1.00 0.00 O ATOM 0 H GLU A 101 1.364 -5.114 -23.501 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.322 -7.403 -23.806 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.711 -7.218 -23.675 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.776 -8.535 -24.354 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.235 -7.445 -26.300 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.783 -6.562 -25.872 1.00 0.00 H new ATOM 1541 N PHE A 102 1.787 -7.403 -21.248 1.00 0.00 N ATOM 1542 CA PHE A 102 2.018 -7.966 -19.923 1.00 0.00 C ATOM 1543 C PHE A 102 0.794 -7.779 -19.031 1.00 0.00 C ATOM 1544 O PHE A 102 0.537 -8.584 -18.136 1.00 0.00 O ATOM 1545 CB PHE A 102 3.240 -7.314 -19.273 1.00 0.00 C ATOM 1546 CG PHE A 102 3.605 -7.913 -17.945 1.00 0.00 C ATOM 1547 CD1 PHE A 102 4.229 -9.148 -17.875 1.00 0.00 C ATOM 1548 CD2 PHE A 102 3.324 -7.241 -16.766 1.00 0.00 C ATOM 1549 CE1 PHE A 102 4.564 -9.701 -16.654 1.00 0.00 C ATOM 1550 CE2 PHE A 102 3.657 -7.789 -15.542 1.00 0.00 C ATOM 1551 CZ PHE A 102 4.279 -9.021 -15.486 1.00 0.00 C ATOM 0 H PHE A 102 2.512 -6.759 -21.565 1.00 0.00 H new ATOM 0 HA PHE A 102 2.203 -9.034 -20.038 1.00 0.00 H new ATOM 0 HB2 PHE A 102 4.091 -7.402 -19.948 1.00 0.00 H new ATOM 0 HB3 PHE A 102 3.047 -6.249 -19.141 1.00 0.00 H new ATOM 0 HD1 PHE A 102 4.456 -9.684 -18.785 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.839 -6.277 -16.804 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.049 -10.665 -16.613 1.00 0.00 H new ATOM 0 HE2 PHE A 102 3.431 -7.255 -14.631 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.542 -9.452 -14.531 1.00 0.00 H new ATOM 1561 N GLN A 103 0.043 -6.712 -19.283 1.00 0.00 N ATOM 1562 CA GLN A 103 -1.153 -6.418 -18.503 1.00 0.00 C ATOM 1563 C GLN A 103 -2.296 -7.353 -18.886 1.00 0.00 C ATOM 1564 O GLN A 103 -2.934 -7.953 -18.022 1.00 0.00 O ATOM 1565 CB GLN A 103 -1.578 -4.963 -18.709 1.00 0.00 C ATOM 1566 CG GLN A 103 -0.800 -3.975 -17.854 1.00 0.00 C ATOM 1567 CD GLN A 103 0.685 -3.982 -18.159 1.00 0.00 C ATOM 1568 OE1 GLN A 103 1.515 -4.071 -17.255 1.00 0.00 O ATOM 1569 NE2 GLN A 103 1.027 -3.887 -19.439 1.00 0.00 N ATOM 0 H GLN A 103 0.242 -6.037 -20.021 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.917 -6.574 -17.450 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.450 -4.701 -19.759 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -2.640 -4.868 -18.484 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.195 -2.972 -18.014 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.952 -4.213 -16.801 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.305 -3.815 -20.156 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.012 -3.886 -19.705 1.00 0.00 H new ATOM 1578 N GLU A 104 -2.547 -7.471 -20.186 1.00 0.00 N ATOM 1579 CA GLU A 104 -3.615 -8.332 -20.681 1.00 0.00 C ATOM 1580 C GLU A 104 -3.288 -9.801 -20.431 1.00 0.00 C ATOM 1581 O GLU A 104 -4.183 -10.643 -20.361 1.00 0.00 O ATOM 1582 CB GLU A 104 -3.838 -8.095 -22.176 1.00 0.00 C ATOM 1583 CG GLU A 104 -4.504 -6.766 -22.489 1.00 0.00 C ATOM 1584 CD GLU A 104 -5.888 -6.649 -21.880 1.00 0.00 C ATOM 1585 OE1 GLU A 104 -6.429 -7.683 -21.435 1.00 0.00 O ATOM 1586 OE2 GLU A 104 -6.429 -5.524 -21.848 1.00 0.00 O ATOM 0 H GLU A 104 -2.026 -6.982 -20.914 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.528 -8.084 -20.141 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.878 -8.140 -22.690 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.452 -8.902 -22.576 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.878 -5.954 -22.118 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.575 -6.645 -23.570 1.00 0.00 H new ATOM 1593 N MET A 105 -2.000 -10.101 -20.298 1.00 0.00 N ATOM 1594 CA MET A 105 -1.556 -11.468 -20.055 1.00 0.00 C ATOM 1595 C MET A 105 -2.037 -11.963 -18.695 1.00 0.00 C ATOM 1596 O MET A 105 -2.262 -13.158 -18.501 1.00 0.00 O ATOM 1597 CB MET A 105 -0.030 -11.552 -20.131 1.00 0.00 C ATOM 1598 CG MET A 105 0.527 -12.899 -19.698 1.00 0.00 C ATOM 1599 SD MET A 105 2.222 -12.787 -19.092 1.00 0.00 S ATOM 1600 CE MET A 105 3.028 -12.000 -20.484 1.00 0.00 C ATOM 0 H MET A 105 -1.246 -9.416 -20.354 1.00 0.00 H new ATOM 0 HA MET A 105 -1.987 -12.106 -20.827 1.00 0.00 H new ATOM 0 HB2 MET A 105 0.286 -11.349 -21.154 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.400 -10.771 -19.504 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.108 -13.316 -18.916 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.491 -13.590 -20.540 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.096 -11.910 -20.283 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.876 -12.602 -21.380 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.603 -11.008 -20.637 1.00 0.00 H new ATOM 1610 N VAL A 106 -2.192 -11.036 -17.754 1.00 0.00 N ATOM 1611 CA VAL A 106 -2.647 -11.379 -16.412 1.00 0.00 C ATOM 1612 C VAL A 106 -4.158 -11.222 -16.288 1.00 0.00 C ATOM 1613 O VAL A 106 -4.844 -12.110 -15.781 1.00 0.00 O ATOM 1614 CB VAL A 106 -1.962 -10.502 -15.347 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -2.392 -10.924 -13.950 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -0.449 -10.572 -15.492 1.00 0.00 C ATOM 0 H VAL A 106 -2.009 -10.043 -17.897 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.378 -12.421 -16.242 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.271 -9.468 -15.499 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.898 -10.293 -13.211 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.472 -10.817 -13.854 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.114 -11.965 -13.783 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.019 -9.947 -14.732 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.119 -11.603 -15.367 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.161 -10.216 -16.481 1.00 0.00 H new ATOM 1626 N GLN A 107 -4.671 -10.089 -16.754 1.00 0.00 N ATOM 1627 CA GLN A 107 -6.102 -9.816 -16.695 1.00 0.00 C ATOM 1628 C GLN A 107 -6.903 -10.991 -17.247 1.00 0.00 C ATOM 1629 O GLN A 107 -7.952 -11.347 -16.710 1.00 0.00 O ATOM 1630 CB GLN A 107 -6.434 -8.545 -17.478 1.00 0.00 C ATOM 1631 CG GLN A 107 -5.814 -7.288 -16.889 1.00 0.00 C ATOM 1632 CD GLN A 107 -5.765 -6.142 -17.879 1.00 0.00 C ATOM 1633 OE1 GLN A 107 -4.786 -5.398 -17.937 1.00 0.00 O ATOM 1634 NE2 GLN A 107 -6.825 -5.993 -18.665 1.00 0.00 N ATOM 0 H GLN A 107 -4.117 -9.344 -17.177 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.376 -9.671 -15.650 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -6.091 -8.662 -18.506 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -7.517 -8.423 -17.515 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -6.386 -6.982 -16.013 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.803 -7.512 -16.548 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -7.615 -6.633 -18.583 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -6.849 -5.238 -19.351 1.00 0.00 H new ATOM 1643 N SER A 108 -6.402 -11.589 -18.323 1.00 0.00 N ATOM 1644 CA SER A 108 -7.073 -12.722 -18.950 1.00 0.00 C ATOM 1645 C SER A 108 -6.146 -13.932 -19.021 1.00 0.00 C ATOM 1646 O SER A 108 -4.976 -13.852 -18.649 1.00 0.00 O ATOM 1647 CB SER A 108 -7.547 -12.346 -20.355 1.00 0.00 C ATOM 1648 OG SER A 108 -7.629 -13.489 -21.189 1.00 0.00 O ATOM 0 H SER A 108 -5.534 -11.308 -18.779 1.00 0.00 H new ATOM 0 HA SER A 108 -7.937 -12.984 -18.340 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.523 -11.864 -20.296 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.860 -11.622 -20.792 1.00 0.00 H new ATOM 0 HG SER A 108 -7.936 -13.222 -22.081 1.00 0.00 H new