USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 594 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 28 ASN : amide:sc= -3.02! C(o=-11!,f=-14!) USER MOD Set 1.2: A 64 ASN : amide:sc= -8.01! C(o=-11!,f=-7.2!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 160:sc= -1.03 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -13:sc= -0.135 USER MOD Single : A 14 LYS NZ :NH3+ -158:sc= -0.0245 (180deg=-0.226) USER MOD Single : A 15 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.58) USER MOD Single : A 17 SER OG : rot 57:sc= 0.885 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0.162 X(o=0.16,f=-0.22) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0284 X(o=-0.028,f=-0.4) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -45:sc= 0.668 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.114 USER MOD Single : A 45 MET CE :methyl -136:sc= 0 (180deg=-0.46) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc=-0.00275 (180deg=-0.512) USER MOD Single : A 52 ASN : amide:sc= -0.398 X(o=-0.4,f=-0.45) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0778 USER MOD Single : A 58 GLN : amide:sc= -0.411 X(o=-0.41,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 148:sc= -1.13 (180deg=-3.01!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.413 USER MOD Single : A 67 GLN : amide:sc= 0.00489 X(o=0.0049,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0195 K(o=-0.02,f=-1.6!) USER MOD Single : A 77 ASN : amide:sc= -1.93 K(o=-1.9,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 4.588 -2.956 -4.060 1.00 0.00 N ATOM 43 CA SER A 3 5.592 -2.848 -5.111 1.00 0.00 C ATOM 44 C SER A 3 4.988 -2.257 -6.381 1.00 0.00 C ATOM 45 O SER A 3 3.804 -1.922 -6.423 1.00 0.00 O ATOM 46 CB SER A 3 6.195 -4.222 -5.412 1.00 0.00 C ATOM 47 OG SER A 3 7.522 -4.315 -4.922 1.00 0.00 O ATOM 0 HA SER A 3 6.380 -2.182 -4.760 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.581 -5.000 -4.958 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.188 -4.398 -6.488 1.00 0.00 H new ATOM 0 HG SER A 3 7.884 -5.203 -5.125 1.00 0.00 H new ATOM 53 N THR A 4 5.812 -2.130 -7.418 1.00 0.00 N ATOM 54 CA THR A 4 5.362 -1.578 -8.689 1.00 0.00 C ATOM 55 C THR A 4 4.099 -2.280 -9.177 1.00 0.00 C ATOM 56 O THR A 4 3.277 -1.686 -9.875 1.00 0.00 O ATOM 57 CB THR A 4 6.452 -1.697 -9.770 1.00 0.00 C ATOM 58 OG1 THR A 4 6.041 -1.009 -10.958 1.00 0.00 O ATOM 59 CG2 THR A 4 6.735 -3.155 -10.096 1.00 0.00 C ATOM 0 H THR A 4 6.795 -2.402 -7.401 1.00 0.00 H new ATOM 0 HA THR A 4 5.145 -0.524 -8.517 1.00 0.00 H new ATOM 0 HB THR A 4 7.365 -1.244 -9.385 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.827 -0.809 -11.508 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.508 -3.213 -10.862 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.075 -3.669 -9.197 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.825 -3.629 -10.463 1.00 0.00 H new ATOM 67 N PHE A 5 3.951 -3.547 -8.805 1.00 0.00 N ATOM 68 CA PHE A 5 2.788 -4.330 -9.205 1.00 0.00 C ATOM 69 C PHE A 5 1.496 -3.573 -8.912 1.00 0.00 C ATOM 70 O PHE A 5 0.534 -3.645 -9.678 1.00 0.00 O ATOM 71 CB PHE A 5 2.779 -5.677 -8.479 1.00 0.00 C ATOM 72 CG PHE A 5 1.686 -6.598 -8.939 1.00 0.00 C ATOM 73 CD1 PHE A 5 1.346 -6.677 -10.280 1.00 0.00 C ATOM 74 CD2 PHE A 5 0.997 -7.386 -8.030 1.00 0.00 C ATOM 75 CE1 PHE A 5 0.341 -7.524 -10.707 1.00 0.00 C ATOM 76 CE2 PHE A 5 -0.009 -8.235 -8.451 1.00 0.00 C ATOM 77 CZ PHE A 5 -0.338 -8.304 -9.791 1.00 0.00 C ATOM 0 H PHE A 5 4.622 -4.053 -8.227 1.00 0.00 H new ATOM 0 HA PHE A 5 2.851 -4.505 -10.279 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.742 -6.167 -8.626 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.670 -5.503 -7.408 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.873 -6.069 -11.000 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.249 -7.336 -6.981 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.087 -7.576 -11.755 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.538 -8.844 -7.733 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.124 -8.966 -10.122 1.00 0.00 H new ATOM 87 N ASP A 6 1.481 -2.849 -7.799 1.00 0.00 N ATOM 88 CA ASP A 6 0.308 -2.078 -7.404 1.00 0.00 C ATOM 89 C ASP A 6 -0.118 -1.127 -8.518 1.00 0.00 C ATOM 90 O ASP A 6 -1.121 -1.356 -9.194 1.00 0.00 O ATOM 91 CB ASP A 6 0.596 -1.290 -6.125 1.00 0.00 C ATOM 92 CG ASP A 6 -0.196 -1.802 -4.938 1.00 0.00 C ATOM 93 OD1 ASP A 6 -0.539 -3.003 -4.928 1.00 0.00 O ATOM 94 OD2 ASP A 6 -0.470 -1.003 -4.019 1.00 0.00 O ATOM 0 H ASP A 6 2.268 -2.780 -7.154 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.508 -2.776 -7.215 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.661 -1.347 -5.899 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.360 -0.238 -6.289 1.00 0.00 H new ATOM 99 N ASP A 7 0.650 -0.059 -8.702 1.00 0.00 N ATOM 100 CA ASP A 7 0.353 0.928 -9.734 1.00 0.00 C ATOM 101 C ASP A 7 0.162 0.255 -11.090 1.00 0.00 C ATOM 102 O ASP A 7 -0.642 0.704 -11.908 1.00 0.00 O ATOM 103 CB ASP A 7 1.476 1.963 -9.819 1.00 0.00 C ATOM 104 CG ASP A 7 1.143 3.240 -9.072 1.00 0.00 C ATOM 105 OD1 ASP A 7 0.515 4.134 -9.677 1.00 0.00 O ATOM 106 OD2 ASP A 7 1.511 3.346 -7.883 1.00 0.00 O ATOM 0 H ASP A 7 1.483 0.146 -8.150 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.575 1.432 -9.464 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.392 1.535 -9.412 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.672 2.198 -10.865 1.00 0.00 H new ATOM 111 N ILE A 8 0.905 -0.821 -11.321 1.00 0.00 N ATOM 112 CA ILE A 8 0.817 -1.555 -12.577 1.00 0.00 C ATOM 113 C ILE A 8 -0.545 -2.224 -12.728 1.00 0.00 C ATOM 114 O ILE A 8 -1.071 -2.344 -13.835 1.00 0.00 O ATOM 115 CB ILE A 8 1.917 -2.627 -12.682 1.00 0.00 C ATOM 116 CG1 ILE A 8 3.200 -2.018 -13.252 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.446 -3.788 -13.546 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.462 -2.662 -12.721 1.00 0.00 C ATOM 0 H ILE A 8 1.575 -1.204 -10.655 1.00 0.00 H new ATOM 0 HA ILE A 8 0.953 -0.828 -13.377 1.00 0.00 H new ATOM 0 HB ILE A 8 2.130 -3.007 -11.683 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.185 -2.109 -14.338 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.221 -0.953 -13.022 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.235 -4.537 -13.610 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.557 -4.235 -13.102 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.208 -3.425 -14.546 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.332 -2.181 -13.168 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.501 -2.548 -11.638 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.464 -3.722 -12.975 1.00 0.00 H new ATOM 130 N LYS A 9 -1.113 -2.658 -11.608 1.00 0.00 N ATOM 131 CA LYS A 9 -2.415 -3.313 -11.614 1.00 0.00 C ATOM 132 C LYS A 9 -3.535 -2.295 -11.804 1.00 0.00 C ATOM 133 O LYS A 9 -4.624 -2.634 -12.268 1.00 0.00 O ATOM 134 CB LYS A 9 -2.628 -4.082 -10.308 1.00 0.00 C ATOM 135 CG LYS A 9 -3.441 -3.318 -9.277 1.00 0.00 C ATOM 136 CD LYS A 9 -3.153 -3.805 -7.867 1.00 0.00 C ATOM 137 CE LYS A 9 -3.923 -5.078 -7.549 1.00 0.00 C ATOM 138 NZ LYS A 9 -3.083 -6.066 -6.818 1.00 0.00 N ATOM 0 H LYS A 9 -0.691 -2.568 -10.684 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.438 -4.013 -12.449 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.130 -5.024 -10.529 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.657 -4.331 -9.880 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.214 -2.254 -9.349 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.503 -3.433 -9.493 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.084 -3.987 -7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.421 -3.028 -7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.799 -4.832 -6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.285 -5.524 -8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.644 -6.919 -6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.260 -6.320 -7.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.758 -5.650 -5.922 1.00 0.00 H new ATOM 152 N LYS A 10 -3.260 -1.046 -11.445 1.00 0.00 N ATOM 153 CA LYS A 10 -4.243 0.023 -11.578 1.00 0.00 C ATOM 154 C LYS A 10 -4.294 0.539 -13.013 1.00 0.00 C ATOM 155 O LYS A 10 -5.360 0.895 -13.517 1.00 0.00 O ATOM 156 CB LYS A 10 -3.911 1.172 -10.623 1.00 0.00 C ATOM 157 CG LYS A 10 -3.328 2.391 -11.318 1.00 0.00 C ATOM 158 CD LYS A 10 -2.921 3.461 -10.318 1.00 0.00 C ATOM 159 CE LYS A 10 -3.948 4.580 -10.251 1.00 0.00 C ATOM 160 NZ LYS A 10 -4.968 4.335 -9.195 1.00 0.00 N ATOM 0 H LYS A 10 -2.364 -0.749 -11.059 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.221 -0.383 -11.321 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.817 1.465 -10.092 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.203 0.818 -9.874 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.461 2.095 -11.908 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.061 2.801 -12.012 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.805 3.013 -9.331 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.951 3.872 -10.598 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.442 5.525 -10.055 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.442 4.677 -11.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.650 5.120 -9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.468 3.446 -9.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.500 4.268 -8.269 1.00 0.00 H new ATOM 174 N ILE A 11 -3.137 0.575 -13.665 1.00 0.00 N ATOM 175 CA ILE A 11 -3.051 1.045 -15.042 1.00 0.00 C ATOM 176 C ILE A 11 -3.616 0.012 -16.012 1.00 0.00 C ATOM 177 O ILE A 11 -4.279 0.360 -16.989 1.00 0.00 O ATOM 178 CB ILE A 11 -1.598 1.364 -15.439 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.700 0.150 -15.193 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.090 2.570 -14.663 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.744 0.378 -15.579 1.00 0.00 C ATOM 0 H ILE A 11 -2.246 0.284 -13.262 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.644 1.958 -15.101 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.572 1.602 -16.502 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.747 -0.119 -14.138 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.088 -0.699 -15.756 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.062 2.783 -14.954 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.716 3.435 -14.883 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.128 2.357 -13.595 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.321 -0.524 -15.377 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.803 0.617 -16.641 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.150 1.206 -14.998 1.00 0.00 H new ATOM 193 N ILE A 12 -3.349 -1.260 -15.734 1.00 0.00 N ATOM 194 CA ILE A 12 -3.832 -2.344 -16.580 1.00 0.00 C ATOM 195 C ILE A 12 -5.319 -2.597 -16.353 1.00 0.00 C ATOM 196 O ILE A 12 -6.040 -2.986 -17.271 1.00 0.00 O ATOM 197 CB ILE A 12 -3.056 -3.648 -16.322 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.335 -4.162 -14.908 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.565 -3.427 -16.526 1.00 0.00 C ATOM 200 CD1 ILE A 12 -2.597 -5.440 -14.573 1.00 0.00 C ATOM 0 H ILE A 12 -2.801 -1.565 -14.930 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.672 -2.034 -17.613 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.393 -4.400 -17.035 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.057 -3.392 -14.189 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.406 -4.330 -14.796 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.030 -4.358 -16.340 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.382 -3.102 -17.550 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.213 -2.662 -15.834 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.842 -5.746 -13.556 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.893 -6.225 -15.269 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.523 -5.271 -14.652 1.00 0.00 H new ATOM 212 N SER A 13 -5.771 -2.371 -15.123 1.00 0.00 N ATOM 213 CA SER A 13 -7.172 -2.576 -14.774 1.00 0.00 C ATOM 214 C SER A 13 -8.051 -1.498 -15.401 1.00 0.00 C ATOM 215 O SER A 13 -9.195 -1.755 -15.778 1.00 0.00 O ATOM 216 CB SER A 13 -7.347 -2.572 -13.254 1.00 0.00 C ATOM 217 OG SER A 13 -6.932 -1.338 -12.696 1.00 0.00 O ATOM 0 H SER A 13 -5.187 -2.046 -14.352 1.00 0.00 H new ATOM 0 HA SER A 13 -7.480 -3.545 -15.166 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.392 -2.754 -13.005 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.769 -3.385 -12.816 1.00 0.00 H new ATOM 0 HG SER A 13 -6.433 -0.827 -13.367 1.00 0.00 H new ATOM 223 N LYS A 14 -7.509 -0.290 -15.509 1.00 0.00 N ATOM 224 CA LYS A 14 -8.241 0.828 -16.091 1.00 0.00 C ATOM 225 C LYS A 14 -8.014 0.903 -17.598 1.00 0.00 C ATOM 226 O LYS A 14 -8.830 1.462 -18.330 1.00 0.00 O ATOM 227 CB LYS A 14 -7.812 2.142 -15.435 1.00 0.00 C ATOM 228 CG LYS A 14 -8.401 3.375 -16.099 1.00 0.00 C ATOM 229 CD LYS A 14 -7.392 4.052 -17.012 1.00 0.00 C ATOM 230 CE LYS A 14 -6.716 5.226 -16.321 1.00 0.00 C ATOM 231 NZ LYS A 14 -7.657 6.361 -16.107 1.00 0.00 N ATOM 0 H LYS A 14 -6.564 -0.060 -15.201 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.304 0.667 -15.909 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.108 2.128 -14.386 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.724 2.212 -15.458 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.283 3.093 -16.675 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.731 4.079 -15.335 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.638 3.329 -17.323 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.893 4.399 -17.916 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.315 4.901 -15.361 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.871 5.563 -16.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.117 7.242 -15.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.289 6.447 -16.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.222 6.187 -15.252 1.00 0.00 H new ATOM 245 N GLN A 15 -6.903 0.333 -18.053 1.00 0.00 N ATOM 246 CA GLN A 15 -6.570 0.335 -19.473 1.00 0.00 C ATOM 247 C GLN A 15 -7.425 -0.674 -20.233 1.00 0.00 C ATOM 248 O GLN A 15 -8.174 -0.309 -21.140 1.00 0.00 O ATOM 249 CB GLN A 15 -5.087 0.017 -19.671 1.00 0.00 C ATOM 250 CG GLN A 15 -4.696 -0.177 -21.127 1.00 0.00 C ATOM 251 CD GLN A 15 -5.162 0.962 -22.013 1.00 0.00 C ATOM 252 OE1 GLN A 15 -5.715 0.740 -23.090 1.00 0.00 O ATOM 253 NE2 GLN A 15 -4.940 2.192 -21.563 1.00 0.00 N ATOM 0 H GLN A 15 -6.219 -0.136 -17.460 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.776 1.330 -19.868 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.491 0.826 -19.248 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.840 -0.887 -19.114 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.612 -0.268 -21.199 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.120 -1.113 -21.492 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.478 2.331 -20.664 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.231 2.998 -22.116 1.00 0.00 H new ATOM 262 N LEU A 16 -7.307 -1.943 -19.858 1.00 0.00 N ATOM 263 CA LEU A 16 -8.070 -3.005 -20.505 1.00 0.00 C ATOM 264 C LEU A 16 -9.262 -3.419 -19.649 1.00 0.00 C ATOM 265 O LEU A 16 -10.413 -3.171 -20.008 1.00 0.00 O ATOM 266 CB LEU A 16 -7.172 -4.215 -20.769 1.00 0.00 C ATOM 267 CG LEU A 16 -5.812 -3.917 -21.401 1.00 0.00 C ATOM 268 CD1 LEU A 16 -4.770 -3.650 -20.325 1.00 0.00 C ATOM 269 CD2 LEU A 16 -5.375 -5.068 -22.295 1.00 0.00 C ATOM 0 H LEU A 16 -6.691 -2.262 -19.110 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.445 -2.623 -21.455 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.005 -4.732 -19.824 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.709 -4.906 -21.419 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.907 -3.022 -22.016 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.809 -3.440 -20.794 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.077 -2.792 -19.726 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.677 -4.526 -19.683 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.405 -4.838 -22.736 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.297 -5.980 -21.703 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.109 -5.212 -23.088 1.00 0.00 H new ATOM 281 N SER A 17 -8.978 -4.050 -18.514 1.00 0.00 N ATOM 282 CA SER A 17 -10.027 -4.500 -17.607 1.00 0.00 C ATOM 283 C SER A 17 -9.429 -5.194 -16.387 1.00 0.00 C ATOM 284 O SER A 17 -9.436 -4.650 -15.283 1.00 0.00 O ATOM 285 CB SER A 17 -10.984 -5.449 -18.330 1.00 0.00 C ATOM 286 OG SER A 17 -12.168 -4.777 -18.724 1.00 0.00 O ATOM 0 H SER A 17 -8.030 -4.261 -18.201 1.00 0.00 H new ATOM 0 HA SER A 17 -10.582 -3.624 -17.270 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.491 -5.869 -19.207 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.236 -6.284 -17.676 1.00 0.00 H new ATOM 0 HG SER A 17 -11.937 -4.011 -19.289 1.00 0.00 H new ATOM 292 N VAL A 18 -8.913 -6.401 -16.595 1.00 0.00 N ATOM 293 CA VAL A 18 -8.310 -7.172 -15.514 1.00 0.00 C ATOM 294 C VAL A 18 -7.345 -8.220 -16.058 1.00 0.00 C ATOM 295 O VAL A 18 -7.754 -9.318 -16.433 1.00 0.00 O ATOM 296 CB VAL A 18 -9.382 -7.871 -14.658 1.00 0.00 C ATOM 297 CG1 VAL A 18 -9.987 -6.897 -13.658 1.00 0.00 C ATOM 298 CG2 VAL A 18 -10.459 -8.477 -15.544 1.00 0.00 C ATOM 0 H VAL A 18 -8.900 -6.866 -17.503 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.761 -6.467 -14.890 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.907 -8.678 -14.100 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.742 -7.409 -13.062 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.204 -6.516 -13.002 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.448 -6.067 -14.192 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.208 -8.967 -14.922 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.933 -7.690 -16.131 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.009 -9.209 -16.215 1.00 0.00 H new ATOM 308 N GLU A 19 -6.063 -7.872 -16.097 1.00 0.00 N ATOM 309 CA GLU A 19 -5.040 -8.784 -16.596 1.00 0.00 C ATOM 310 C GLU A 19 -3.928 -8.970 -15.567 1.00 0.00 C ATOM 311 O GLU A 19 -2.891 -9.564 -15.860 1.00 0.00 O ATOM 312 CB GLU A 19 -4.453 -8.259 -17.908 1.00 0.00 C ATOM 313 CG GLU A 19 -4.062 -6.792 -17.856 1.00 0.00 C ATOM 314 CD GLU A 19 -3.581 -6.268 -19.195 1.00 0.00 C ATOM 315 OE1 GLU A 19 -4.132 -6.697 -20.231 1.00 0.00 O ATOM 316 OE2 GLU A 19 -2.655 -5.431 -19.208 1.00 0.00 O ATOM 0 H GLU A 19 -5.708 -6.967 -15.790 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.509 -9.751 -16.777 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.575 -8.851 -18.166 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.181 -8.404 -18.706 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.918 -6.203 -17.526 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.276 -6.656 -17.113 1.00 0.00 H new ATOM 323 N GLU A 20 -4.154 -8.457 -14.361 1.00 0.00 N ATOM 324 CA GLU A 20 -3.171 -8.565 -13.290 1.00 0.00 C ATOM 325 C GLU A 20 -2.816 -10.025 -13.023 1.00 0.00 C ATOM 326 O GLU A 20 -1.747 -10.328 -12.493 1.00 0.00 O ATOM 327 CB GLU A 20 -3.704 -7.916 -12.011 1.00 0.00 C ATOM 328 CG GLU A 20 -4.746 -8.756 -11.291 1.00 0.00 C ATOM 329 CD GLU A 20 -4.152 -9.585 -10.168 1.00 0.00 C ATOM 330 OE1 GLU A 20 -3.967 -9.038 -9.061 1.00 0.00 O ATOM 331 OE2 GLU A 20 -3.872 -10.780 -10.397 1.00 0.00 O ATOM 0 H GLU A 20 -5.008 -7.963 -14.102 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.269 -8.041 -13.605 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.870 -7.728 -11.334 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.138 -6.947 -12.259 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.518 -8.102 -10.886 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.233 -9.417 -12.008 1.00 0.00 H new ATOM 338 N ASP A 21 -3.720 -10.925 -13.393 1.00 0.00 N ATOM 339 CA ASP A 21 -3.504 -12.353 -13.194 1.00 0.00 C ATOM 340 C ASP A 21 -2.792 -12.967 -14.396 1.00 0.00 C ATOM 341 O ASP A 21 -2.748 -14.188 -14.548 1.00 0.00 O ATOM 342 CB ASP A 21 -4.837 -13.065 -12.958 1.00 0.00 C ATOM 343 CG ASP A 21 -4.654 -14.492 -12.481 1.00 0.00 C ATOM 344 OD1 ASP A 21 -4.029 -14.688 -11.417 1.00 0.00 O ATOM 345 OD2 ASP A 21 -5.137 -15.414 -13.171 1.00 0.00 O ATOM 0 H ASP A 21 -4.610 -10.691 -13.833 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.872 -12.480 -12.315 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.417 -12.510 -12.220 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.414 -13.065 -13.883 1.00 0.00 H new ATOM 350 N LYS A 22 -2.236 -12.112 -15.248 1.00 0.00 N ATOM 351 CA LYS A 22 -1.525 -12.569 -16.436 1.00 0.00 C ATOM 352 C LYS A 22 -0.638 -11.462 -16.998 1.00 0.00 C ATOM 353 O LYS A 22 -0.253 -11.496 -18.168 1.00 0.00 O ATOM 354 CB LYS A 22 -2.520 -13.031 -17.504 1.00 0.00 C ATOM 355 CG LYS A 22 -3.687 -12.080 -17.700 1.00 0.00 C ATOM 356 CD LYS A 22 -3.536 -11.267 -18.975 1.00 0.00 C ATOM 357 CE LYS A 22 -3.588 -12.152 -20.210 1.00 0.00 C ATOM 358 NZ LYS A 22 -4.637 -11.705 -21.168 1.00 0.00 N ATOM 0 H LYS A 22 -2.264 -11.098 -15.138 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.892 -13.409 -16.150 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.994 -13.148 -18.452 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.905 -14.013 -17.229 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.617 -12.647 -17.737 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.757 -11.408 -16.845 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.328 -10.520 -19.028 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.590 -10.726 -18.953 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.617 -12.143 -20.705 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.784 -13.182 -19.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.641 -12.334 -21.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.567 -11.738 -20.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.436 -10.731 -21.473 1.00 0.00 H new ATOM 372 N ILE A 23 -0.316 -10.484 -16.159 1.00 0.00 N ATOM 373 CA ILE A 23 0.528 -9.370 -16.572 1.00 0.00 C ATOM 374 C ILE A 23 1.883 -9.418 -15.873 1.00 0.00 C ATOM 375 O ILE A 23 2.875 -8.903 -16.387 1.00 0.00 O ATOM 376 CB ILE A 23 -0.142 -8.016 -16.275 1.00 0.00 C ATOM 377 CG1 ILE A 23 0.054 -7.056 -17.450 1.00 0.00 C ATOM 378 CG2 ILE A 23 0.420 -7.416 -14.995 1.00 0.00 C ATOM 379 CD1 ILE A 23 1.506 -6.827 -17.807 1.00 0.00 C ATOM 0 H ILE A 23 -0.627 -10.440 -15.189 1.00 0.00 H new ATOM 0 HA ILE A 23 0.673 -9.466 -17.648 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.211 -8.179 -16.138 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.468 -7.450 -18.322 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.408 -6.099 -17.208 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.064 -6.459 -14.799 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.233 -8.094 -14.163 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.494 -7.264 -15.105 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.569 -6.136 -18.648 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.029 -6.404 -16.950 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.967 -7.776 -18.081 1.00 0.00 H new ATOM 391 N GLN A 24 1.916 -10.042 -14.700 1.00 0.00 N ATOM 392 CA GLN A 24 3.149 -10.158 -13.932 1.00 0.00 C ATOM 393 C GLN A 24 3.725 -11.567 -14.036 1.00 0.00 C ATOM 394 O GLN A 24 3.236 -12.496 -13.393 1.00 0.00 O ATOM 395 CB GLN A 24 2.897 -9.805 -12.465 1.00 0.00 C ATOM 396 CG GLN A 24 3.990 -10.288 -11.526 1.00 0.00 C ATOM 397 CD GLN A 24 3.463 -11.207 -10.441 1.00 0.00 C ATOM 398 OE1 GLN A 24 3.865 -11.111 -9.281 1.00 0.00 O ATOM 399 NE2 GLN A 24 2.558 -12.104 -10.813 1.00 0.00 N ATOM 0 H GLN A 24 1.103 -10.475 -14.261 1.00 0.00 H new ATOM 0 HA GLN A 24 3.873 -9.457 -14.348 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.801 -8.723 -12.372 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.946 -10.237 -12.154 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.753 -10.812 -12.102 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.474 -9.427 -11.064 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.253 -12.148 -11.785 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.167 -12.749 -10.126 1.00 0.00 H new ATOM 408 N MET A 25 4.765 -11.717 -14.849 1.00 0.00 N ATOM 409 CA MET A 25 5.407 -13.013 -15.037 1.00 0.00 C ATOM 410 C MET A 25 6.880 -12.952 -14.644 1.00 0.00 C ATOM 411 O MET A 25 7.600 -13.945 -14.744 1.00 0.00 O ATOM 412 CB MET A 25 5.273 -13.467 -16.491 1.00 0.00 C ATOM 413 CG MET A 25 4.166 -14.485 -16.711 1.00 0.00 C ATOM 414 SD MET A 25 4.800 -16.134 -17.072 1.00 0.00 S ATOM 415 CE MET A 25 3.463 -17.154 -16.454 1.00 0.00 C ATOM 0 H MET A 25 5.181 -10.958 -15.388 1.00 0.00 H new ATOM 0 HA MET A 25 4.907 -13.735 -14.392 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.084 -12.596 -17.119 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.220 -13.896 -16.818 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.536 -14.529 -15.822 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.533 -14.155 -17.535 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.707 -18.205 -16.606 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.323 -16.964 -15.390 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.545 -16.914 -16.989 1.00 0.00 H new ATOM 425 N ASN A 26 7.320 -11.780 -14.198 1.00 0.00 N ATOM 426 CA ASN A 26 8.708 -11.590 -13.791 1.00 0.00 C ATOM 427 C ASN A 26 9.646 -11.704 -14.989 1.00 0.00 C ATOM 428 O ASN A 26 10.862 -11.807 -14.830 1.00 0.00 O ATOM 429 CB ASN A 26 9.095 -12.619 -12.727 1.00 0.00 C ATOM 430 CG ASN A 26 9.473 -11.972 -11.408 1.00 0.00 C ATOM 431 OD1 ASN A 26 10.485 -11.278 -11.312 1.00 0.00 O ATOM 432 ND2 ASN A 26 8.658 -12.198 -10.384 1.00 0.00 N ATOM 0 H ASN A 26 6.736 -10.948 -14.109 1.00 0.00 H new ATOM 0 HA ASN A 26 8.803 -10.589 -13.370 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.262 -13.304 -12.567 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.932 -13.215 -13.089 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.860 -11.789 -9.472 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.830 -12.780 -10.510 1.00 0.00 H new ATOM 439 N SER A 27 9.072 -11.684 -16.188 1.00 0.00 N ATOM 440 CA SER A 27 9.856 -11.788 -17.413 1.00 0.00 C ATOM 441 C SER A 27 9.649 -10.561 -18.296 1.00 0.00 C ATOM 442 O SER A 27 10.506 -9.680 -18.363 1.00 0.00 O ATOM 443 CB SER A 27 9.474 -13.054 -18.182 1.00 0.00 C ATOM 444 OG SER A 27 10.447 -14.069 -18.008 1.00 0.00 O ATOM 0 H SER A 27 8.067 -11.597 -16.337 1.00 0.00 H new ATOM 0 HA SER A 27 10.909 -11.843 -17.138 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.504 -13.413 -17.839 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.371 -12.822 -19.242 1.00 0.00 H new ATOM 0 HG SER A 27 10.179 -14.868 -18.508 1.00 0.00 H new ATOM 450 N ASN A 28 8.506 -10.511 -18.971 1.00 0.00 N ATOM 451 CA ASN A 28 8.186 -9.393 -19.851 1.00 0.00 C ATOM 452 C ASN A 28 6.725 -8.981 -19.697 1.00 0.00 C ATOM 453 O ASN A 28 5.899 -9.754 -19.211 1.00 0.00 O ATOM 454 CB ASN A 28 8.472 -9.765 -21.308 1.00 0.00 C ATOM 455 CG ASN A 28 9.881 -9.399 -21.732 1.00 0.00 C ATOM 456 OD1 ASN A 28 10.172 -8.238 -22.020 1.00 0.00 O ATOM 457 ND2 ASN A 28 10.763 -10.390 -21.773 1.00 0.00 N ATOM 0 H ASN A 28 7.786 -11.232 -18.926 1.00 0.00 H new ATOM 0 HA ASN A 28 8.815 -8.549 -19.569 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.322 -10.836 -21.443 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.757 -9.259 -21.957 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.726 -10.204 -22.052 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.477 -11.337 -21.526 1.00 0.00 H new ATOM 464 N PHE A 29 6.413 -7.759 -20.116 1.00 0.00 N ATOM 465 CA PHE A 29 5.052 -7.243 -20.024 1.00 0.00 C ATOM 466 C PHE A 29 4.229 -7.663 -21.239 1.00 0.00 C ATOM 467 O PHE A 29 3.152 -8.244 -21.103 1.00 0.00 O ATOM 468 CB PHE A 29 5.069 -5.718 -19.908 1.00 0.00 C ATOM 469 CG PHE A 29 4.680 -5.216 -18.547 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.446 -5.526 -17.435 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.548 -4.434 -18.380 1.00 0.00 C ATOM 472 CE1 PHE A 29 5.089 -5.067 -16.181 1.00 0.00 C ATOM 473 CE2 PHE A 29 3.187 -3.971 -17.128 1.00 0.00 C ATOM 474 CZ PHE A 29 3.959 -4.287 -16.028 1.00 0.00 C ATOM 0 H PHE A 29 7.084 -7.108 -20.523 1.00 0.00 H new ATOM 0 HA PHE A 29 4.590 -7.663 -19.131 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.068 -5.354 -20.149 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.390 -5.298 -20.649 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.332 -6.133 -17.549 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.941 -4.183 -19.237 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.693 -5.318 -15.322 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.302 -3.363 -17.011 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.680 -3.925 -15.049 1.00 0.00 H new ATOM 484 N THR A 30 4.743 -7.363 -22.427 1.00 0.00 N ATOM 485 CA THR A 30 4.057 -7.707 -23.666 1.00 0.00 C ATOM 486 C THR A 30 4.898 -8.651 -24.517 1.00 0.00 C ATOM 487 O THR A 30 4.597 -8.883 -25.689 1.00 0.00 O ATOM 488 CB THR A 30 3.723 -6.450 -24.491 1.00 0.00 C ATOM 489 OG1 THR A 30 2.843 -6.790 -25.568 1.00 0.00 O ATOM 490 CG2 THR A 30 4.990 -5.815 -25.045 1.00 0.00 C ATOM 0 H THR A 30 5.633 -6.882 -22.558 1.00 0.00 H new ATOM 0 HA THR A 30 3.129 -8.205 -23.385 1.00 0.00 H new ATOM 0 HB THR A 30 3.232 -5.731 -23.835 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.160 -7.609 -26.004 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.730 -4.929 -25.624 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.645 -5.531 -24.221 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.505 -6.530 -25.687 1.00 0.00 H new ATOM 498 N LYS A 31 5.953 -9.196 -23.921 1.00 0.00 N ATOM 499 CA LYS A 31 6.838 -10.118 -24.624 1.00 0.00 C ATOM 500 C LYS A 31 6.770 -11.512 -24.009 1.00 0.00 C ATOM 501 O LYS A 31 7.064 -12.508 -24.670 1.00 0.00 O ATOM 502 CB LYS A 31 8.278 -9.602 -24.588 1.00 0.00 C ATOM 503 CG LYS A 31 8.383 -8.109 -24.332 1.00 0.00 C ATOM 504 CD LYS A 31 9.721 -7.557 -24.796 1.00 0.00 C ATOM 505 CE LYS A 31 9.639 -7.015 -26.215 1.00 0.00 C ATOM 506 NZ LYS A 31 10.393 -7.864 -27.178 1.00 0.00 N ATOM 0 H LYS A 31 6.216 -9.015 -22.952 1.00 0.00 H new ATOM 0 HA LYS A 31 6.507 -10.181 -25.661 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.827 -10.135 -23.811 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.762 -9.834 -25.537 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.575 -7.592 -24.851 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.256 -7.911 -23.268 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.043 -6.764 -24.121 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.476 -8.342 -24.748 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.595 -6.958 -26.522 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.035 -6.000 -26.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.312 -7.461 -28.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.395 -7.898 -26.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.999 -8.827 -27.174 1.00 0.00 H new ATOM 520 N ASP A 32 6.379 -11.576 -22.741 1.00 0.00 N ATOM 521 CA ASP A 32 6.270 -12.849 -22.037 1.00 0.00 C ATOM 522 C ASP A 32 4.850 -13.400 -22.129 1.00 0.00 C ATOM 523 O ASP A 32 4.614 -14.433 -22.757 1.00 0.00 O ATOM 524 CB ASP A 32 6.671 -12.681 -20.571 1.00 0.00 C ATOM 525 CG ASP A 32 6.349 -13.907 -19.739 1.00 0.00 C ATOM 526 OD1 ASP A 32 5.155 -14.129 -19.446 1.00 0.00 O ATOM 527 OD2 ASP A 32 7.291 -14.646 -19.382 1.00 0.00 O ATOM 0 H ASP A 32 6.132 -10.761 -22.179 1.00 0.00 H new ATOM 0 HA ASP A 32 6.948 -13.558 -22.512 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.740 -12.475 -20.511 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.156 -11.816 -20.153 1.00 0.00 H new ATOM 532 N LEU A 33 3.909 -12.706 -21.499 1.00 0.00 N ATOM 533 CA LEU A 33 2.513 -13.127 -21.508 1.00 0.00 C ATOM 534 C LEU A 33 1.904 -12.962 -22.897 1.00 0.00 C ATOM 535 O LEU A 33 1.048 -13.745 -23.308 1.00 0.00 O ATOM 536 CB LEU A 33 1.709 -12.319 -20.487 1.00 0.00 C ATOM 537 CG LEU A 33 1.964 -10.811 -20.474 1.00 0.00 C ATOM 538 CD1 LEU A 33 0.666 -10.049 -20.691 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.619 -10.392 -19.166 1.00 0.00 C ATOM 0 H LEU A 33 4.088 -11.849 -20.975 1.00 0.00 H new ATOM 0 HA LEU A 33 2.476 -14.182 -21.237 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.648 -12.486 -20.675 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.923 -12.712 -19.493 1.00 0.00 H new ATOM 0 HG LEU A 33 2.644 -10.569 -21.291 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.867 -8.978 -20.679 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.238 -10.327 -21.654 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.038 -10.295 -19.896 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.793 -9.316 -19.175 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.964 -10.647 -18.333 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.570 -10.912 -19.052 1.00 0.00 H new ATOM 551 N GLY A 34 2.353 -11.938 -23.617 1.00 0.00 N ATOM 552 CA GLY A 34 1.842 -11.690 -24.953 1.00 0.00 C ATOM 553 C GLY A 34 0.491 -11.004 -24.939 1.00 0.00 C ATOM 554 O GLY A 34 -0.478 -11.516 -25.499 1.00 0.00 O ATOM 0 H GLY A 34 3.061 -11.276 -23.299 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.553 -11.073 -25.502 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.760 -12.636 -25.489 1.00 0.00 H new ATOM 558 N ALA A 35 0.425 -9.843 -24.297 1.00 0.00 N ATOM 559 CA ALA A 35 -0.817 -9.085 -24.212 1.00 0.00 C ATOM 560 C ALA A 35 -1.030 -8.238 -25.463 1.00 0.00 C ATOM 561 O ALA A 35 -1.828 -8.587 -26.332 1.00 0.00 O ATOM 562 CB ALA A 35 -0.816 -8.206 -22.971 1.00 0.00 C ATOM 0 H ALA A 35 1.218 -9.406 -23.827 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.642 -9.794 -24.140 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.750 -7.646 -22.921 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.719 -8.831 -22.083 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.022 -7.511 -23.018 1.00 0.00 H new ATOM 568 N ASP A 36 -0.311 -7.124 -25.546 1.00 0.00 N ATOM 569 CA ASP A 36 -0.420 -6.227 -26.690 1.00 0.00 C ATOM 570 C ASP A 36 0.505 -5.025 -26.529 1.00 0.00 C ATOM 571 O ASP A 36 0.558 -4.365 -25.492 1.00 0.00 O ATOM 572 CB ASP A 36 -1.865 -5.755 -26.859 1.00 0.00 C ATOM 573 CG ASP A 36 -2.450 -6.150 -28.201 1.00 0.00 C ATOM 574 OD1 ASP A 36 -2.873 -7.317 -28.343 1.00 0.00 O ATOM 575 OD2 ASP A 36 -2.486 -5.293 -29.107 1.00 0.00 O ATOM 0 H ASP A 36 0.354 -6.821 -24.834 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.119 -6.777 -27.581 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.477 -6.176 -26.061 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.905 -4.671 -26.754 1.00 0.00 H new ATOM 580 N SER A 37 1.271 -4.719 -27.590 1.00 0.00 N ATOM 581 CA SER A 37 2.248 -3.609 -27.671 1.00 0.00 C ATOM 582 C SER A 37 1.628 -2.246 -27.321 1.00 0.00 C ATOM 583 O SER A 37 2.161 -1.480 -26.517 1.00 0.00 O ATOM 584 CB SER A 37 2.826 -3.624 -29.095 1.00 0.00 C ATOM 585 OG SER A 37 1.825 -3.300 -30.061 1.00 0.00 O ATOM 0 H SER A 37 1.228 -5.259 -28.454 1.00 0.00 H new ATOM 0 HA SER A 37 3.036 -3.755 -26.932 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.647 -2.911 -29.165 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.240 -4.609 -29.312 1.00 0.00 H new ATOM 0 HG SER A 37 2.219 -3.315 -30.958 1.00 0.00 H new ATOM 590 N LEU A 38 0.491 -1.961 -27.947 1.00 0.00 N ATOM 591 CA LEU A 38 -0.213 -0.704 -27.719 1.00 0.00 C ATOM 592 C LEU A 38 -0.674 -0.594 -26.269 1.00 0.00 C ATOM 593 O LEU A 38 -0.563 0.465 -25.651 1.00 0.00 O ATOM 594 CB LEU A 38 -1.416 -0.593 -28.658 1.00 0.00 C ATOM 595 CG LEU A 38 -1.185 -1.048 -30.100 1.00 0.00 C ATOM 596 CD1 LEU A 38 -1.685 -2.470 -30.297 1.00 0.00 C ATOM 597 CD2 LEU A 38 -1.870 -0.100 -31.073 1.00 0.00 C ATOM 0 H LEU A 38 0.037 -2.583 -28.616 1.00 0.00 H new ATOM 0 HA LEU A 38 0.478 0.114 -27.925 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.234 -1.180 -28.239 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.745 0.446 -28.674 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.114 -1.031 -30.300 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.512 -2.777 -31.329 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.150 -3.140 -29.625 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.752 -2.514 -30.079 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.696 -0.438 -32.094 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.941 -0.086 -30.874 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.464 0.904 -30.949 1.00 0.00 H new ATOM 609 N ASP A 39 -1.190 -1.694 -25.732 1.00 0.00 N ATOM 610 CA ASP A 39 -1.665 -1.722 -24.354 1.00 0.00 C ATOM 611 C ASP A 39 -0.513 -1.504 -23.378 1.00 0.00 C ATOM 612 O ASP A 39 -0.606 -0.683 -22.464 1.00 0.00 O ATOM 613 CB ASP A 39 -2.357 -3.054 -24.057 1.00 0.00 C ATOM 614 CG ASP A 39 -3.477 -3.355 -25.033 1.00 0.00 C ATOM 615 OD1 ASP A 39 -3.932 -2.417 -25.721 1.00 0.00 O ATOM 616 OD2 ASP A 39 -3.897 -4.528 -25.110 1.00 0.00 O ATOM 0 H ASP A 39 -1.290 -2.578 -26.230 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.384 -0.912 -24.227 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.622 -3.858 -24.093 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.758 -3.034 -23.044 1.00 0.00 H new ATOM 621 N LEU A 40 0.571 -2.245 -23.576 1.00 0.00 N ATOM 622 CA LEU A 40 1.742 -2.134 -22.713 1.00 0.00 C ATOM 623 C LEU A 40 2.169 -0.677 -22.558 1.00 0.00 C ATOM 624 O LEU A 40 2.284 -0.168 -21.443 1.00 0.00 O ATOM 625 CB LEU A 40 2.899 -2.958 -23.280 1.00 0.00 C ATOM 626 CG LEU A 40 4.299 -2.566 -22.806 1.00 0.00 C ATOM 627 CD1 LEU A 40 5.154 -3.803 -22.585 1.00 0.00 C ATOM 628 CD2 LEU A 40 4.959 -1.631 -23.810 1.00 0.00 C ATOM 0 H LEU A 40 0.664 -2.929 -24.327 1.00 0.00 H new ATOM 0 HA LEU A 40 1.475 -2.522 -21.730 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.731 -4.005 -23.026 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.872 -2.885 -24.367 1.00 0.00 H new ATOM 0 HG LEU A 40 4.206 -2.040 -21.856 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.146 -3.504 -22.248 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.690 -4.436 -21.829 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.240 -4.358 -23.519 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.955 -1.362 -23.457 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.039 -2.131 -24.775 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.356 -0.729 -23.918 1.00 0.00 H new ATOM 640 N VAL A 41 2.399 -0.011 -23.685 1.00 0.00 N ATOM 641 CA VAL A 41 2.809 1.388 -23.675 1.00 0.00 C ATOM 642 C VAL A 41 1.682 2.288 -23.179 1.00 0.00 C ATOM 643 O VAL A 41 1.925 3.395 -22.699 1.00 0.00 O ATOM 644 CB VAL A 41 3.244 1.855 -25.077 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.826 3.259 -25.016 1.00 0.00 C ATOM 646 CG2 VAL A 41 4.247 0.880 -25.676 1.00 0.00 C ATOM 0 H VAL A 41 2.308 -0.418 -24.616 1.00 0.00 H new ATOM 0 HA VAL A 41 3.657 1.464 -22.995 1.00 0.00 H new ATOM 0 HB VAL A 41 2.365 1.879 -25.721 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.128 3.572 -26.016 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.074 3.948 -24.632 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.694 3.265 -24.357 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.543 1.226 -26.666 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.126 0.822 -25.034 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.791 -0.107 -25.757 1.00 0.00 H new ATOM 656 N GLU A 42 0.450 1.804 -23.299 1.00 0.00 N ATOM 657 CA GLU A 42 -0.714 2.566 -22.862 1.00 0.00 C ATOM 658 C GLU A 42 -0.780 2.634 -21.339 1.00 0.00 C ATOM 659 O GLU A 42 -0.639 3.705 -20.748 1.00 0.00 O ATOM 660 CB GLU A 42 -1.997 1.938 -23.411 1.00 0.00 C ATOM 661 CG GLU A 42 -2.598 2.703 -24.578 1.00 0.00 C ATOM 662 CD GLU A 42 -3.458 3.869 -24.131 1.00 0.00 C ATOM 663 OE1 GLU A 42 -3.115 4.503 -23.111 1.00 0.00 O ATOM 664 OE2 GLU A 42 -4.475 4.147 -24.800 1.00 0.00 O ATOM 0 H GLU A 42 0.232 0.889 -23.694 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.619 3.580 -23.250 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.785 0.917 -23.728 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.733 1.877 -22.610 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.796 3.072 -25.217 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.199 2.023 -25.182 1.00 0.00 H new ATOM 671 N LEU A 43 -0.995 1.484 -20.710 1.00 0.00 N ATOM 672 CA LEU A 43 -1.081 1.412 -19.256 1.00 0.00 C ATOM 673 C LEU A 43 0.125 2.083 -18.606 1.00 0.00 C ATOM 674 O LEU A 43 -0.010 2.791 -17.607 1.00 0.00 O ATOM 675 CB LEU A 43 -1.173 -0.046 -18.802 1.00 0.00 C ATOM 676 CG LEU A 43 -0.092 -0.985 -19.339 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.873 -1.377 -18.231 1.00 0.00 C ATOM 678 CD2 LEU A 43 -0.722 -2.223 -19.961 1.00 0.00 C ATOM 0 H LEU A 43 -1.113 0.589 -21.184 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.981 1.941 -18.943 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.138 -0.069 -17.713 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.146 -0.437 -19.098 1.00 0.00 H new ATOM 0 HG LEU A 43 0.468 -0.458 -20.112 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.635 -2.045 -18.632 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.349 -0.482 -17.830 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.327 -1.885 -17.436 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.062 -2.880 -20.338 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.307 -2.751 -19.208 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.373 -1.926 -20.783 1.00 0.00 H new ATOM 690 N ILE A 44 1.302 1.858 -19.180 1.00 0.00 N ATOM 691 CA ILE A 44 2.530 2.445 -18.658 1.00 0.00 C ATOM 692 C ILE A 44 2.467 3.968 -18.684 1.00 0.00 C ATOM 693 O ILE A 44 2.808 4.630 -17.704 1.00 0.00 O ATOM 694 CB ILE A 44 3.760 1.980 -19.460 1.00 0.00 C ATOM 695 CG1 ILE A 44 4.008 0.487 -19.236 1.00 0.00 C ATOM 696 CG2 ILE A 44 4.986 2.790 -19.066 1.00 0.00 C ATOM 697 CD1 ILE A 44 4.946 -0.129 -20.251 1.00 0.00 C ATOM 0 H ILE A 44 1.431 1.274 -20.006 1.00 0.00 H new ATOM 0 HA ILE A 44 2.628 2.106 -17.627 1.00 0.00 H new ATOM 0 HB ILE A 44 3.566 2.142 -20.520 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.420 0.341 -18.237 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.054 -0.040 -19.268 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.847 2.450 -19.641 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.806 3.845 -19.271 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.184 2.656 -18.003 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.076 -1.189 -20.031 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.526 -0.015 -21.250 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.913 0.372 -20.204 1.00 0.00 H new ATOM 709 N MET A 45 2.026 4.517 -19.811 1.00 0.00 N ATOM 710 CA MET A 45 1.914 5.963 -19.963 1.00 0.00 C ATOM 711 C MET A 45 1.090 6.567 -18.830 1.00 0.00 C ATOM 712 O MET A 45 1.346 7.688 -18.393 1.00 0.00 O ATOM 713 CB MET A 45 1.279 6.308 -21.312 1.00 0.00 C ATOM 714 CG MET A 45 -0.185 6.705 -21.210 1.00 0.00 C ATOM 715 SD MET A 45 -0.974 6.866 -22.823 1.00 0.00 S ATOM 716 CE MET A 45 -0.120 8.298 -23.477 1.00 0.00 C ATOM 0 H MET A 45 1.741 3.983 -20.632 1.00 0.00 H new ATOM 0 HA MET A 45 2.918 6.386 -19.923 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.838 7.125 -21.769 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.369 5.449 -21.977 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.719 5.960 -20.621 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.265 7.651 -20.675 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.840 8.968 -23.946 1.00 0.00 H new ATOM 0 HE2 MET A 45 0.388 8.820 -22.666 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.613 7.978 -24.217 1.00 0.00 H new ATOM 726 N ALA A 46 0.099 5.816 -18.360 1.00 0.00 N ATOM 727 CA ALA A 46 -0.761 6.277 -17.278 1.00 0.00 C ATOM 728 C ALA A 46 -0.026 6.250 -15.942 1.00 0.00 C ATOM 729 O ALA A 46 -0.150 7.172 -15.134 1.00 0.00 O ATOM 730 CB ALA A 46 -2.021 5.427 -17.206 1.00 0.00 C ATOM 0 H ALA A 46 -0.128 4.886 -18.712 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.043 7.309 -17.487 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.654 5.783 -16.393 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.564 5.501 -18.148 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.749 4.387 -17.025 1.00 0.00 H new ATOM 736 N LEU A 47 0.740 5.189 -15.716 1.00 0.00 N ATOM 737 CA LEU A 47 1.496 5.041 -14.477 1.00 0.00 C ATOM 738 C LEU A 47 2.389 6.254 -14.236 1.00 0.00 C ATOM 739 O LEU A 47 2.399 6.821 -13.144 1.00 0.00 O ATOM 740 CB LEU A 47 2.345 3.769 -14.523 1.00 0.00 C ATOM 741 CG LEU A 47 2.551 3.051 -13.189 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.573 1.934 -13.336 1.00 0.00 C ATOM 743 CD2 LEU A 47 2.988 4.037 -12.115 1.00 0.00 C ATOM 0 H LEU A 47 0.854 4.418 -16.374 1.00 0.00 H new ATOM 0 HA LEU A 47 0.786 4.966 -13.654 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.881 3.071 -15.220 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.323 4.024 -14.931 1.00 0.00 H new ATOM 0 HG LEU A 47 1.602 2.610 -12.885 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.707 1.434 -12.376 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.221 1.214 -14.074 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.525 2.353 -13.663 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.130 3.509 -11.172 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.925 4.507 -12.412 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.222 4.802 -11.990 1.00 0.00 H new ATOM 755 N GLU A 48 3.135 6.646 -15.264 1.00 0.00 N ATOM 756 CA GLU A 48 4.031 7.793 -15.163 1.00 0.00 C ATOM 757 C GLU A 48 3.246 9.101 -15.207 1.00 0.00 C ATOM 758 O GLU A 48 3.594 10.068 -14.530 1.00 0.00 O ATOM 759 CB GLU A 48 5.061 7.765 -16.294 1.00 0.00 C ATOM 760 CG GLU A 48 4.447 7.580 -17.672 1.00 0.00 C ATOM 761 CD GLU A 48 5.450 7.788 -18.790 1.00 0.00 C ATOM 762 OE1 GLU A 48 5.738 8.959 -19.117 1.00 0.00 O ATOM 763 OE2 GLU A 48 5.946 6.782 -19.338 1.00 0.00 O ATOM 0 H GLU A 48 3.137 6.187 -16.175 1.00 0.00 H new ATOM 0 HA GLU A 48 4.551 7.733 -14.207 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.629 8.695 -16.280 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.769 6.957 -16.109 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.028 6.577 -17.747 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.621 8.281 -17.795 1.00 0.00 H new ATOM 770 N GLU A 49 2.187 9.122 -16.010 1.00 0.00 N ATOM 771 CA GLU A 49 1.354 10.312 -16.144 1.00 0.00 C ATOM 772 C GLU A 49 0.808 10.749 -14.787 1.00 0.00 C ATOM 773 O GLU A 49 0.538 11.929 -14.564 1.00 0.00 O ATOM 774 CB GLU A 49 0.198 10.046 -17.110 1.00 0.00 C ATOM 775 CG GLU A 49 0.494 10.458 -18.542 1.00 0.00 C ATOM 776 CD GLU A 49 -0.637 10.118 -19.493 1.00 0.00 C ATOM 777 OE1 GLU A 49 -1.711 9.699 -19.011 1.00 0.00 O ATOM 778 OE2 GLU A 49 -0.449 10.270 -20.718 1.00 0.00 O ATOM 0 H GLU A 49 1.886 8.330 -16.577 1.00 0.00 H new ATOM 0 HA GLU A 49 1.973 11.115 -16.543 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.044 8.983 -17.089 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.685 10.581 -16.762 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.682 11.531 -18.576 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.406 9.964 -18.877 1.00 0.00 H new ATOM 785 N LYS A 50 0.646 9.788 -13.884 1.00 0.00 N ATOM 786 CA LYS A 50 0.133 10.071 -12.549 1.00 0.00 C ATOM 787 C LYS A 50 1.273 10.185 -11.541 1.00 0.00 C ATOM 788 O LYS A 50 1.151 10.872 -10.526 1.00 0.00 O ATOM 789 CB LYS A 50 -0.841 8.975 -12.111 1.00 0.00 C ATOM 790 CG LYS A 50 -1.201 9.034 -10.637 1.00 0.00 C ATOM 791 CD LYS A 50 -2.171 7.928 -10.255 1.00 0.00 C ATOM 792 CE LYS A 50 -3.610 8.420 -10.269 1.00 0.00 C ATOM 793 NZ LYS A 50 -4.173 8.446 -11.647 1.00 0.00 N ATOM 0 H LYS A 50 0.863 8.806 -14.053 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.395 11.024 -12.584 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.753 9.054 -12.702 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.402 8.002 -12.330 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.295 8.948 -10.037 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.644 10.003 -10.408 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.064 7.093 -10.948 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.923 7.552 -9.262 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.221 7.774 -9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.656 9.420 -9.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.212 8.469 -11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.832 9.292 -12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.870 7.595 -12.162 1.00 0.00 H new ATOM 807 N PHE A 51 2.380 9.509 -11.828 1.00 0.00 N ATOM 808 CA PHE A 51 3.542 9.535 -10.946 1.00 0.00 C ATOM 809 C PHE A 51 4.335 10.825 -11.131 1.00 0.00 C ATOM 810 O PHE A 51 5.102 11.225 -10.256 1.00 0.00 O ATOM 811 CB PHE A 51 4.441 8.327 -11.217 1.00 0.00 C ATOM 812 CG PHE A 51 4.213 7.186 -10.267 1.00 0.00 C ATOM 813 CD1 PHE A 51 2.948 6.928 -9.764 1.00 0.00 C ATOM 814 CD2 PHE A 51 5.264 6.370 -9.879 1.00 0.00 C ATOM 815 CE1 PHE A 51 2.736 5.879 -8.889 1.00 0.00 C ATOM 816 CE2 PHE A 51 5.058 5.319 -9.005 1.00 0.00 C ATOM 817 CZ PHE A 51 3.792 5.073 -8.510 1.00 0.00 C ATOM 0 H PHE A 51 2.498 8.936 -12.664 1.00 0.00 H new ATOM 0 HA PHE A 51 3.187 9.491 -9.916 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.272 7.980 -12.236 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.484 8.639 -11.155 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.118 7.553 -10.059 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.255 6.557 -10.264 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.746 5.690 -8.502 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.886 4.691 -8.710 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.628 4.252 -7.828 1.00 0.00 H new ATOM 827 N ASN A 52 4.145 11.472 -12.276 1.00 0.00 N ATOM 828 CA ASN A 52 4.843 12.716 -12.577 1.00 0.00 C ATOM 829 C ASN A 52 6.354 12.505 -12.579 1.00 0.00 C ATOM 830 O ASN A 52 7.079 13.121 -11.797 1.00 0.00 O ATOM 831 CB ASN A 52 4.469 13.794 -11.558 1.00 0.00 C ATOM 832 CG ASN A 52 5.130 15.126 -11.856 1.00 0.00 C ATOM 833 OD1 ASN A 52 5.934 15.623 -11.067 1.00 0.00 O ATOM 834 ND2 ASN A 52 4.793 15.711 -12.999 1.00 0.00 N ATOM 0 H ASN A 52 3.513 11.155 -13.011 1.00 0.00 H new ATOM 0 HA ASN A 52 4.538 13.043 -13.571 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.387 13.922 -11.550 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.758 13.463 -10.561 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.205 16.609 -13.253 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.122 15.263 -13.623 1.00 0.00 H new ATOM 841 N VAL A 53 6.823 11.632 -13.465 1.00 0.00 N ATOM 842 CA VAL A 53 8.248 11.341 -13.571 1.00 0.00 C ATOM 843 C VAL A 53 8.805 11.804 -14.912 1.00 0.00 C ATOM 844 O VAL A 53 8.129 12.499 -15.672 1.00 0.00 O ATOM 845 CB VAL A 53 8.527 9.835 -13.403 1.00 0.00 C ATOM 846 CG1 VAL A 53 9.725 9.612 -12.493 1.00 0.00 C ATOM 847 CG2 VAL A 53 7.296 9.122 -12.863 1.00 0.00 C ATOM 0 H VAL A 53 6.237 11.114 -14.120 1.00 0.00 H new ATOM 0 HA VAL A 53 8.743 11.886 -12.768 1.00 0.00 H new ATOM 0 HB VAL A 53 8.762 9.415 -14.381 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.907 8.543 -12.386 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.605 10.088 -12.926 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.523 10.045 -11.513 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.511 8.059 -12.751 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.028 9.542 -11.894 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.466 9.253 -13.557 1.00 0.00 H new ATOM 857 N THR A 54 10.043 11.414 -15.199 1.00 0.00 N ATOM 858 CA THR A 54 10.692 11.789 -16.449 1.00 0.00 C ATOM 859 C THR A 54 11.158 10.557 -17.218 1.00 0.00 C ATOM 860 O THR A 54 12.311 10.143 -17.104 1.00 0.00 O ATOM 861 CB THR A 54 11.900 12.711 -16.199 1.00 0.00 C ATOM 862 OG1 THR A 54 11.477 13.902 -15.527 1.00 0.00 O ATOM 863 CG2 THR A 54 12.581 13.077 -17.509 1.00 0.00 C ATOM 0 H THR A 54 10.616 10.838 -14.582 1.00 0.00 H new ATOM 0 HA THR A 54 9.951 12.325 -17.042 1.00 0.00 H new ATOM 0 HB THR A 54 12.614 12.176 -15.573 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.251 14.482 -15.370 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.431 13.729 -17.307 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.928 12.170 -18.004 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.872 13.595 -18.155 1.00 0.00 H new ATOM 871 N ILE A 55 10.254 9.978 -18.001 1.00 0.00 N ATOM 872 CA ILE A 55 10.574 8.795 -18.790 1.00 0.00 C ATOM 873 C ILE A 55 10.097 8.950 -20.230 1.00 0.00 C ATOM 874 O ILE A 55 9.658 10.025 -20.638 1.00 0.00 O ATOM 875 CB ILE A 55 9.942 7.527 -18.185 1.00 0.00 C ATOM 876 CG1 ILE A 55 9.497 7.790 -16.745 1.00 0.00 C ATOM 877 CG2 ILE A 55 10.926 6.368 -18.238 1.00 0.00 C ATOM 878 CD1 ILE A 55 8.138 8.445 -16.642 1.00 0.00 C ATOM 0 H ILE A 55 9.295 10.309 -18.106 1.00 0.00 H new ATOM 0 HA ILE A 55 11.659 8.691 -18.778 1.00 0.00 H new ATOM 0 HB ILE A 55 9.064 7.260 -18.773 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.478 6.846 -16.201 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.235 8.425 -16.256 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.465 5.479 -17.807 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.198 6.169 -19.275 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.821 6.624 -17.671 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.888 8.601 -15.593 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.157 9.405 -17.157 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.388 7.801 -17.102 1.00 0.00 H new ATOM 890 N SER A 56 10.184 7.867 -20.996 1.00 0.00 N ATOM 891 CA SER A 56 9.764 7.882 -22.392 1.00 0.00 C ATOM 892 C SER A 56 9.893 6.495 -23.014 1.00 0.00 C ATOM 893 O SER A 56 8.901 5.791 -23.199 1.00 0.00 O ATOM 894 CB SER A 56 10.597 8.889 -23.187 1.00 0.00 C ATOM 895 OG SER A 56 11.948 8.883 -22.759 1.00 0.00 O ATOM 0 H SER A 56 10.542 6.968 -20.673 1.00 0.00 H new ATOM 0 HA SER A 56 8.716 8.180 -22.426 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.548 8.649 -24.249 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.178 9.888 -23.066 1.00 0.00 H new ATOM 0 HG SER A 56 12.460 9.534 -23.283 1.00 0.00 H new ATOM 901 N ASP A 57 11.124 6.109 -23.333 1.00 0.00 N ATOM 902 CA ASP A 57 11.385 4.806 -23.933 1.00 0.00 C ATOM 903 C ASP A 57 11.967 3.841 -22.904 1.00 0.00 C ATOM 904 O ASP A 57 12.016 2.633 -23.132 1.00 0.00 O ATOM 905 CB ASP A 57 12.344 4.948 -25.116 1.00 0.00 C ATOM 906 CG ASP A 57 11.647 5.442 -26.369 1.00 0.00 C ATOM 907 OD1 ASP A 57 10.687 4.780 -26.815 1.00 0.00 O ATOM 908 OD2 ASP A 57 12.062 6.492 -26.903 1.00 0.00 O ATOM 0 H ASP A 57 11.956 6.680 -23.186 1.00 0.00 H new ATOM 0 HA ASP A 57 10.438 4.402 -24.290 1.00 0.00 H new ATOM 0 HB2 ASP A 57 13.143 5.640 -24.851 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.811 3.984 -25.319 1.00 0.00 H new ATOM 913 N GLN A 58 12.407 4.384 -21.774 1.00 0.00 N ATOM 914 CA GLN A 58 12.987 3.571 -20.711 1.00 0.00 C ATOM 915 C GLN A 58 11.911 2.754 -20.002 1.00 0.00 C ATOM 916 O GLN A 58 12.093 1.566 -19.739 1.00 0.00 O ATOM 917 CB GLN A 58 13.719 4.458 -19.703 1.00 0.00 C ATOM 918 CG GLN A 58 15.195 4.125 -19.559 1.00 0.00 C ATOM 919 CD GLN A 58 16.035 4.697 -20.684 1.00 0.00 C ATOM 920 OE1 GLN A 58 16.689 5.727 -20.524 1.00 0.00 O ATOM 921 NE2 GLN A 58 16.021 4.029 -21.832 1.00 0.00 N ATOM 0 H GLN A 58 12.373 5.383 -21.571 1.00 0.00 H new ATOM 0 HA GLN A 58 13.701 2.882 -21.163 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.618 5.500 -20.008 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.237 4.362 -18.730 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.559 4.510 -18.607 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.318 3.042 -19.533 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.464 3.179 -21.921 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.567 4.366 -22.625 1.00 0.00 H new ATOM 930 N ASP A 59 10.792 3.400 -19.695 1.00 0.00 N ATOM 931 CA ASP A 59 9.687 2.734 -19.016 1.00 0.00 C ATOM 932 C ASP A 59 9.305 1.444 -19.736 1.00 0.00 C ATOM 933 O ASP A 59 9.383 0.357 -19.165 1.00 0.00 O ATOM 934 CB ASP A 59 8.475 3.664 -18.934 1.00 0.00 C ATOM 935 CG ASP A 59 8.293 4.490 -20.192 1.00 0.00 C ATOM 936 OD1 ASP A 59 9.086 5.431 -20.404 1.00 0.00 O ATOM 937 OD2 ASP A 59 7.357 4.195 -20.966 1.00 0.00 O ATOM 0 H ASP A 59 10.626 4.384 -19.906 1.00 0.00 H new ATOM 0 HA ASP A 59 10.012 2.483 -18.006 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.577 3.071 -18.759 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.589 4.330 -18.079 1.00 0.00 H new ATOM 942 N ALA A 60 8.892 1.573 -20.992 1.00 0.00 N ATOM 943 CA ALA A 60 8.500 0.418 -21.790 1.00 0.00 C ATOM 944 C ALA A 60 9.628 -0.605 -21.866 1.00 0.00 C ATOM 945 O ALA A 60 9.393 -1.784 -22.135 1.00 0.00 O ATOM 946 CB ALA A 60 8.088 0.858 -23.188 1.00 0.00 C ATOM 0 H ALA A 60 8.820 2.466 -21.479 1.00 0.00 H new ATOM 0 HA ALA A 60 7.647 -0.056 -21.304 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.798 -0.015 -23.773 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.245 1.546 -23.119 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.926 1.358 -23.674 1.00 0.00 H new ATOM 952 N LEU A 61 10.852 -0.148 -21.628 1.00 0.00 N ATOM 953 CA LEU A 61 12.018 -1.024 -21.670 1.00 0.00 C ATOM 954 C LEU A 61 12.584 -1.244 -20.271 1.00 0.00 C ATOM 955 O LEU A 61 13.769 -1.535 -20.108 1.00 0.00 O ATOM 956 CB LEU A 61 13.094 -0.431 -22.581 1.00 0.00 C ATOM 957 CG LEU A 61 12.809 -0.488 -24.082 1.00 0.00 C ATOM 958 CD1 LEU A 61 13.423 0.711 -24.788 1.00 0.00 C ATOM 959 CD2 LEU A 61 13.336 -1.786 -24.676 1.00 0.00 C ATOM 0 H LEU A 61 11.063 0.824 -21.404 1.00 0.00 H new ATOM 0 HA LEU A 61 11.703 -1.988 -22.070 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.246 0.611 -22.300 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.032 -0.953 -22.390 1.00 0.00 H new ATOM 0 HG LEU A 61 11.729 -0.456 -24.229 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.210 0.653 -25.855 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.998 1.629 -24.382 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.502 0.711 -24.633 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.124 -1.809 -25.745 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.413 -1.848 -24.518 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.849 -2.632 -24.191 1.00 0.00 H new ATOM 971 N LYS A 62 11.729 -1.106 -19.264 1.00 0.00 N ATOM 972 CA LYS A 62 12.142 -1.293 -17.878 1.00 0.00 C ATOM 973 C LYS A 62 11.071 -2.037 -17.087 1.00 0.00 C ATOM 974 O LYS A 62 11.338 -3.083 -16.494 1.00 0.00 O ATOM 975 CB LYS A 62 12.427 0.060 -17.223 1.00 0.00 C ATOM 976 CG LYS A 62 13.844 0.558 -17.449 1.00 0.00 C ATOM 977 CD LYS A 62 14.260 1.558 -16.383 1.00 0.00 C ATOM 978 CE LYS A 62 13.474 2.855 -16.498 1.00 0.00 C ATOM 979 NZ LYS A 62 14.361 4.050 -16.433 1.00 0.00 N ATOM 0 H LYS A 62 10.745 -0.865 -19.382 1.00 0.00 H new ATOM 0 HA LYS A 62 13.053 -1.891 -17.874 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.725 0.798 -17.612 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.245 -0.019 -16.151 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.533 -0.287 -17.445 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.915 1.023 -18.433 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.105 1.124 -15.395 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.326 1.768 -16.475 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.922 2.863 -17.438 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.738 2.905 -15.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.960 4.812 -17.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.437 4.373 -15.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.306 3.801 -16.790 1.00 0.00 H new ATOM 993 N ILE A 63 9.859 -1.492 -17.083 1.00 0.00 N ATOM 994 CA ILE A 63 8.748 -2.106 -16.367 1.00 0.00 C ATOM 995 C ILE A 63 8.465 -3.510 -16.891 1.00 0.00 C ATOM 996 O ILE A 63 7.859 -4.330 -16.203 1.00 0.00 O ATOM 997 CB ILE A 63 7.467 -1.259 -16.482 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.650 0.082 -15.769 1.00 0.00 C ATOM 999 CG2 ILE A 63 6.279 -2.015 -15.905 1.00 0.00 C ATOM 1000 CD1 ILE A 63 8.207 1.169 -16.660 1.00 0.00 C ATOM 0 H ILE A 63 9.622 -0.626 -17.568 1.00 0.00 H new ATOM 0 HA ILE A 63 9.042 -2.164 -15.319 1.00 0.00 H new ATOM 0 HB ILE A 63 7.271 -1.064 -17.536 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.689 0.407 -15.371 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.317 -0.056 -14.918 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.381 -1.404 -15.993 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.139 -2.946 -16.454 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.465 -2.237 -14.854 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.310 2.091 -16.088 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.183 0.865 -17.038 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.530 1.335 -17.498 1.00 0.00 H new ATOM 1012 N ASN A 64 8.909 -3.780 -18.115 1.00 0.00 N ATOM 1013 CA ASN A 64 8.705 -5.085 -18.732 1.00 0.00 C ATOM 1014 C ASN A 64 9.040 -6.207 -17.754 1.00 0.00 C ATOM 1015 O ASN A 64 8.403 -7.261 -17.758 1.00 0.00 O ATOM 1016 CB ASN A 64 9.563 -5.217 -19.991 1.00 0.00 C ATOM 1017 CG ASN A 64 11.012 -5.534 -19.672 1.00 0.00 C ATOM 1018 OD1 ASN A 64 11.547 -6.553 -20.109 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.654 -4.658 -18.907 1.00 0.00 N ATOM 0 H ASN A 64 9.412 -3.112 -18.699 1.00 0.00 H new ATOM 0 HA ASN A 64 7.654 -5.169 -19.007 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.153 -6.002 -20.626 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.514 -4.289 -20.560 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.631 -4.817 -18.659 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.170 -3.827 -18.567 1.00 0.00 H new ATOM 1026 N THR A 65 10.044 -5.974 -16.915 1.00 0.00 N ATOM 1027 CA THR A 65 10.465 -6.964 -15.932 1.00 0.00 C ATOM 1028 C THR A 65 10.171 -6.490 -14.513 1.00 0.00 C ATOM 1029 O THR A 65 10.525 -5.373 -14.136 1.00 0.00 O ATOM 1030 CB THR A 65 11.969 -7.275 -16.056 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.738 -6.219 -15.469 1.00 0.00 O ATOM 1032 CG2 THR A 65 12.367 -7.449 -17.514 1.00 0.00 C ATOM 0 H THR A 65 10.581 -5.107 -16.897 1.00 0.00 H new ATOM 0 HA THR A 65 9.896 -7.871 -16.134 1.00 0.00 H new ATOM 0 HB THR A 65 12.170 -8.207 -15.527 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.693 -6.425 -15.551 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.433 -7.668 -17.577 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.801 -8.273 -17.950 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.152 -6.531 -18.062 1.00 0.00 H new ATOM 1040 N VAL A 66 9.523 -7.347 -13.730 1.00 0.00 N ATOM 1041 CA VAL A 66 9.184 -7.016 -12.352 1.00 0.00 C ATOM 1042 C VAL A 66 10.393 -6.464 -11.605 1.00 0.00 C ATOM 1043 O VAL A 66 10.251 -5.663 -10.682 1.00 0.00 O ATOM 1044 CB VAL A 66 8.644 -8.245 -11.596 1.00 0.00 C ATOM 1045 CG1 VAL A 66 8.407 -7.909 -10.131 1.00 0.00 C ATOM 1046 CG2 VAL A 66 7.368 -8.753 -12.249 1.00 0.00 C ATOM 0 H VAL A 66 9.223 -8.275 -14.027 1.00 0.00 H new ATOM 0 HA VAL A 66 8.407 -6.253 -12.392 1.00 0.00 H new ATOM 0 HB VAL A 66 9.390 -9.038 -11.645 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.026 -8.789 -9.613 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.345 -7.597 -9.673 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.680 -7.100 -10.056 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.000 -9.621 -11.702 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.613 -7.967 -12.232 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.575 -9.035 -13.281 1.00 0.00 H new ATOM 1056 N GLN A 67 11.581 -6.899 -12.011 1.00 0.00 N ATOM 1057 CA GLN A 67 12.816 -6.448 -11.380 1.00 0.00 C ATOM 1058 C GLN A 67 13.091 -4.984 -11.705 1.00 0.00 C ATOM 1059 O GLN A 67 13.174 -4.144 -10.809 1.00 0.00 O ATOM 1060 CB GLN A 67 13.992 -7.313 -11.836 1.00 0.00 C ATOM 1061 CG GLN A 67 14.907 -7.744 -10.701 1.00 0.00 C ATOM 1062 CD GLN A 67 16.008 -6.740 -10.425 1.00 0.00 C ATOM 1063 OE1 GLN A 67 17.172 -6.971 -10.757 1.00 0.00 O ATOM 1064 NE2 GLN A 67 15.647 -5.616 -9.816 1.00 0.00 N ATOM 0 H GLN A 67 11.715 -7.563 -12.774 1.00 0.00 H new ATOM 0 HA GLN A 67 12.699 -6.546 -10.301 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.606 -8.201 -12.338 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.576 -6.759 -12.572 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.315 -7.886 -9.797 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.353 -8.708 -10.945 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.671 -5.466 -9.559 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.345 -4.903 -9.606 1.00 0.00 H new ATOM 1073 N ASP A 68 13.230 -4.685 -12.992 1.00 0.00 N ATOM 1074 CA ASP A 68 13.495 -3.321 -13.435 1.00 0.00 C ATOM 1075 C ASP A 68 12.334 -2.398 -13.079 1.00 0.00 C ATOM 1076 O ASP A 68 12.529 -1.212 -12.816 1.00 0.00 O ATOM 1077 CB ASP A 68 13.741 -3.292 -14.945 1.00 0.00 C ATOM 1078 CG ASP A 68 15.175 -3.626 -15.304 1.00 0.00 C ATOM 1079 OD1 ASP A 68 15.578 -4.793 -15.117 1.00 0.00 O ATOM 1080 OD2 ASP A 68 15.895 -2.720 -15.774 1.00 0.00 O ATOM 0 H ASP A 68 13.164 -5.368 -13.746 1.00 0.00 H new ATOM 0 HA ASP A 68 14.388 -2.966 -12.921 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.073 -4.002 -15.433 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.493 -2.303 -15.332 1.00 0.00 H new ATOM 1085 N ALA A 69 11.125 -2.952 -13.072 1.00 0.00 N ATOM 1086 CA ALA A 69 9.933 -2.179 -12.747 1.00 0.00 C ATOM 1087 C ALA A 69 10.023 -1.596 -11.341 1.00 0.00 C ATOM 1088 O ALA A 69 10.068 -0.378 -11.166 1.00 0.00 O ATOM 1089 CB ALA A 69 8.689 -3.045 -12.884 1.00 0.00 C ATOM 0 H ALA A 69 10.946 -3.933 -13.288 1.00 0.00 H new ATOM 0 HA ALA A 69 9.864 -1.350 -13.451 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.806 -2.455 -12.638 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.609 -3.408 -13.909 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.759 -3.893 -12.203 1.00 0.00 H new ATOM 1095 N ILE A 70 10.047 -2.473 -10.343 1.00 0.00 N ATOM 1096 CA ILE A 70 10.132 -2.045 -8.952 1.00 0.00 C ATOM 1097 C ILE A 70 11.321 -1.115 -8.735 1.00 0.00 C ATOM 1098 O ILE A 70 11.273 -0.214 -7.897 1.00 0.00 O ATOM 1099 CB ILE A 70 10.255 -3.248 -7.999 1.00 0.00 C ATOM 1100 CG1 ILE A 70 11.545 -4.020 -8.280 1.00 0.00 C ATOM 1101 CG2 ILE A 70 9.045 -4.159 -8.138 1.00 0.00 C ATOM 1102 CD1 ILE A 70 11.737 -5.223 -7.384 1.00 0.00 C ATOM 0 H ILE A 70 10.009 -3.484 -10.472 1.00 0.00 H new ATOM 0 HA ILE A 70 9.209 -1.509 -8.730 1.00 0.00 H new ATOM 0 HB ILE A 70 10.292 -2.878 -6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.543 -4.348 -9.319 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.395 -3.348 -8.159 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.146 -5.005 -7.458 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.140 -3.603 -7.893 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.980 -4.523 -9.163 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.672 -5.722 -7.640 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.771 -4.900 -6.344 1.00 0.00 H new ATOM 0 HD13 ILE A 70 10.907 -5.916 -7.522 1.00 0.00 H new ATOM 1114 N ASP A 71 12.387 -1.339 -9.496 1.00 0.00 N ATOM 1115 CA ASP A 71 13.588 -0.519 -9.390 1.00 0.00 C ATOM 1116 C ASP A 71 13.393 0.824 -10.085 1.00 0.00 C ATOM 1117 O ASP A 71 14.029 1.817 -9.730 1.00 0.00 O ATOM 1118 CB ASP A 71 14.786 -1.252 -9.995 1.00 0.00 C ATOM 1119 CG ASP A 71 15.973 -0.335 -10.218 1.00 0.00 C ATOM 1120 OD1 ASP A 71 16.485 0.226 -9.226 1.00 0.00 O ATOM 1121 OD2 ASP A 71 16.391 -0.179 -11.384 1.00 0.00 O ATOM 0 H ASP A 71 12.444 -2.082 -10.193 1.00 0.00 H new ATOM 0 HA ASP A 71 13.780 -0.335 -8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.080 -2.068 -9.335 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.493 -1.700 -10.945 1.00 0.00 H new ATOM 1126 N TYR A 72 12.511 0.848 -11.078 1.00 0.00 N ATOM 1127 CA TYR A 72 12.235 2.069 -11.826 1.00 0.00 C ATOM 1128 C TYR A 72 11.341 3.009 -11.023 1.00 0.00 C ATOM 1129 O TYR A 72 11.329 4.219 -11.252 1.00 0.00 O ATOM 1130 CB TYR A 72 11.571 1.734 -13.163 1.00 0.00 C ATOM 1131 CG TYR A 72 10.285 2.490 -13.406 1.00 0.00 C ATOM 1132 CD1 TYR A 72 10.301 3.784 -13.912 1.00 0.00 C ATOM 1133 CD2 TYR A 72 9.052 1.910 -13.132 1.00 0.00 C ATOM 1134 CE1 TYR A 72 9.128 4.478 -14.136 1.00 0.00 C ATOM 1135 CE2 TYR A 72 7.874 2.596 -13.353 1.00 0.00 C ATOM 1136 CZ TYR A 72 7.917 3.880 -13.855 1.00 0.00 C ATOM 1137 OH TYR A 72 6.747 4.569 -14.078 1.00 0.00 O ATOM 0 H TYR A 72 11.975 0.036 -11.384 1.00 0.00 H new ATOM 0 HA TYR A 72 13.184 2.572 -12.015 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.269 1.953 -13.971 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.366 0.664 -13.199 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.247 4.255 -14.134 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.014 0.905 -12.739 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.159 5.483 -14.529 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.925 2.130 -13.134 1.00 0.00 H new ATOM 0 HH TYR A 72 5.984 4.007 -13.830 1.00 0.00 H new ATOM 1147 N ILE A 73 10.594 2.443 -10.081 1.00 0.00 N ATOM 1148 CA ILE A 73 9.698 3.230 -9.242 1.00 0.00 C ATOM 1149 C ILE A 73 10.374 3.624 -7.934 1.00 0.00 C ATOM 1150 O ILE A 73 10.031 4.638 -7.328 1.00 0.00 O ATOM 1151 CB ILE A 73 8.402 2.460 -8.926 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.709 1.232 -8.068 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.701 2.052 -10.213 1.00 0.00 C ATOM 1154 CD1 ILE A 73 7.473 0.547 -7.527 1.00 0.00 C ATOM 0 H ILE A 73 10.591 1.443 -9.880 1.00 0.00 H new ATOM 0 HA ILE A 73 9.448 4.130 -9.804 1.00 0.00 H new ATOM 0 HB ILE A 73 7.736 3.115 -8.364 1.00 0.00 H new ATOM 0 HG12 ILE A 73 9.280 0.518 -8.662 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.343 1.531 -7.233 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.787 1.509 -9.973 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.453 2.943 -10.790 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.360 1.412 -10.799 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.767 -0.315 -6.928 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.912 1.246 -6.906 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.848 0.216 -8.356 1.00 0.00 H new ATOM 1166 N GLU A 74 11.338 2.815 -7.505 1.00 0.00 N ATOM 1167 CA GLU A 74 12.064 3.080 -6.269 1.00 0.00 C ATOM 1168 C GLU A 74 13.240 4.019 -6.519 1.00 0.00 C ATOM 1169 O GLU A 74 13.632 4.790 -5.642 1.00 0.00 O ATOM 1170 CB GLU A 74 12.563 1.772 -5.653 1.00 0.00 C ATOM 1171 CG GLU A 74 11.451 0.894 -5.104 1.00 0.00 C ATOM 1172 CD GLU A 74 11.584 0.648 -3.613 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.006 1.579 -2.895 1.00 0.00 O ATOM 1174 OE2 GLU A 74 11.267 -0.473 -3.166 1.00 0.00 O ATOM 0 H GLU A 74 11.634 1.971 -7.995 1.00 0.00 H new ATOM 0 HA GLU A 74 11.378 3.562 -5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.117 1.213 -6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.263 2.002 -4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.489 1.364 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.456 -0.062 -5.628 1.00 0.00 H new ATOM 1181 N LYS A 75 13.801 3.948 -7.721 1.00 0.00 N ATOM 1182 CA LYS A 75 14.932 4.791 -8.089 1.00 0.00 C ATOM 1183 C LYS A 75 14.463 6.180 -8.510 1.00 0.00 C ATOM 1184 O LYS A 75 15.131 7.178 -8.246 1.00 0.00 O ATOM 1185 CB LYS A 75 15.728 4.144 -9.226 1.00 0.00 C ATOM 1186 CG LYS A 75 15.102 4.342 -10.595 1.00 0.00 C ATOM 1187 CD LYS A 75 15.657 3.356 -11.609 1.00 0.00 C ATOM 1188 CE LYS A 75 17.029 3.783 -12.109 1.00 0.00 C ATOM 1189 NZ LYS A 75 17.600 2.799 -13.071 1.00 0.00 N ATOM 0 H LYS A 75 13.490 3.315 -8.458 1.00 0.00 H new ATOM 0 HA LYS A 75 15.575 4.894 -7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.736 4.558 -9.234 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.823 3.076 -9.030 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.021 4.222 -10.523 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.287 5.360 -10.937 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.725 2.367 -11.156 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.971 3.274 -12.452 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.953 4.758 -12.589 1.00 0.00 H new ATOM 0 HE3 LYS A 75 17.705 3.897 -11.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 18.535 3.126 -13.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.696 1.874 -12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.968 2.709 -13.892 1.00 0.00 H new ATOM 1203 N ASN A 76 13.308 6.236 -9.165 1.00 0.00 N ATOM 1204 CA ASN A 76 12.748 7.503 -9.622 1.00 0.00 C ATOM 1205 C ASN A 76 11.980 8.194 -8.499 1.00 0.00 C ATOM 1206 O ASN A 76 12.460 9.162 -7.910 1.00 0.00 O ATOM 1207 CB ASN A 76 11.825 7.274 -10.820 1.00 0.00 C ATOM 1208 CG ASN A 76 12.594 7.005 -12.099 1.00 0.00 C ATOM 1209 OD1 ASN A 76 13.812 7.178 -12.152 1.00 0.00 O ATOM 1210 ND2 ASN A 76 11.885 6.580 -13.138 1.00 0.00 N ATOM 0 H ASN A 76 12.741 5.419 -9.391 1.00 0.00 H new ATOM 0 HA ASN A 76 13.573 8.148 -9.925 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.166 6.431 -10.612 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.190 8.149 -10.958 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.348 6.383 -14.025 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.877 6.451 -13.049 1.00 0.00 H new ATOM 1217 N ASN A 77 10.786 7.689 -8.208 1.00 0.00 N ATOM 1218 CA ASN A 77 9.951 8.258 -7.156 1.00 0.00 C ATOM 1219 C ASN A 77 10.566 8.013 -5.782 1.00 0.00 C ATOM 1220 O ASN A 77 10.301 6.993 -5.144 1.00 0.00 O ATOM 1221 CB ASN A 77 8.544 7.659 -7.213 1.00 0.00 C ATOM 1222 CG ASN A 77 8.071 7.427 -8.635 1.00 0.00 C ATOM 1223 OD1 ASN A 77 8.276 6.354 -9.202 1.00 0.00 O ATOM 1224 ND2 ASN A 77 7.434 8.436 -9.217 1.00 0.00 N ATOM 0 H ASN A 77 10.375 6.887 -8.686 1.00 0.00 H new ATOM 0 HA ASN A 77 9.887 9.334 -7.319 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.532 6.714 -6.670 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.847 8.326 -6.706 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.092 8.340 -10.173 1.00 0.00 H new ATOM 0 HD22 ASN A 77 7.287 9.308 -8.708 1.00 0.00 H new