USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 172:sc= -0.0043 (180deg=-0.0957) USER MOD Single : A 4 ASN : amide:sc= -2.54! C(o=-2.5!,f=-7.6!) USER MOD Single : A 5 LYS NZ :NH3+ 179:sc= 0.78 (180deg=0.779) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= 0.874 (180deg=0.768) USER MOD Single : A 19 ASN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 159:sc= 0.0173 (180deg=-0.0826) USER MOD Single : A 24 MET CE :methyl -138:sc= 0 (180deg=-1.18) USER MOD Single : A 26 MET CE :methyl -166:sc= 0 (180deg=-0.164) USER MOD Single : A 27 MET CE :methyl -165:sc= -0.0225 (180deg=-0.294) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.726 K(o=0.73,f=-3.6!) USER MOD Single : A 46 SER OG : rot -46:sc= 1.34 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.0697 K(o=0.07,f=-4!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 60 ASN : amide:sc= -4.2! C(o=-4.2!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 40 N LYS A 2 -7.071 4.730 -3.470 1.00 0.00 N ATOM 41 CA LYS A 2 -7.502 3.524 -2.784 1.00 0.00 C ATOM 42 C LYS A 2 -6.356 2.510 -2.775 1.00 0.00 C ATOM 43 O LYS A 2 -5.684 2.320 -3.788 1.00 0.00 O ATOM 44 CB LYS A 2 -8.745 2.932 -3.452 1.00 0.00 C ATOM 45 CG LYS A 2 -9.799 3.959 -3.843 1.00 0.00 C ATOM 46 CD LYS A 2 -10.458 4.570 -2.616 1.00 0.00 C ATOM 47 CE LYS A 2 -11.379 5.720 -2.997 1.00 0.00 C ATOM 48 NZ LYS A 2 -12.460 5.286 -3.922 1.00 0.00 N ATOM 0 HA LYS A 2 -7.767 3.774 -1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.438 2.387 -4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.196 2.207 -2.775 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.339 4.746 -4.441 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.557 3.486 -4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.027 3.805 -2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.691 4.928 -1.929 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.822 6.144 -2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.795 6.511 -3.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.141 6.062 -4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.048 5.033 -4.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.948 4.459 -3.522 1.00 0.00 H new ATOM 62 N CYS A 3 -6.167 1.887 -1.620 1.00 0.00 N ATOM 63 CA CYS A 3 -5.156 0.853 -1.484 1.00 0.00 C ATOM 64 C CYS A 3 -5.854 -0.450 -1.089 1.00 0.00 C ATOM 65 O CYS A 3 -6.860 -0.429 -0.383 1.00 0.00 O ATOM 66 CB CYS A 3 -4.072 1.249 -0.481 1.00 0.00 C ATOM 67 SG CYS A 3 -3.201 2.811 -0.867 1.00 0.00 S ATOM 0 H CYS A 3 -6.697 2.079 -0.770 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.642 0.715 -2.435 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.525 1.337 0.506 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.338 0.445 -0.424 1.00 0.00 H new ATOM 73 N ASN A 4 -5.291 -1.552 -1.560 1.00 0.00 N ATOM 74 CA ASN A 4 -5.899 -2.853 -1.347 1.00 0.00 C ATOM 75 C ASN A 4 -5.592 -3.331 0.073 1.00 0.00 C ATOM 76 O ASN A 4 -4.563 -2.972 0.643 1.00 0.00 O ATOM 77 CB ASN A 4 -5.431 -3.870 -2.373 1.00 0.00 C ATOM 78 CG ASN A 4 -6.003 -3.651 -3.746 1.00 0.00 C ATOM 79 OD1 ASN A 4 -7.039 -2.997 -3.913 1.00 0.00 O ATOM 80 ND2 ASN A 4 -5.379 -4.264 -4.721 1.00 0.00 N ATOM 0 H ASN A 4 -4.419 -1.570 -2.089 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.977 -2.753 -1.470 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.343 -3.838 -2.433 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.702 -4.869 -2.031 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.745 -4.214 -5.672 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.527 -4.791 -4.530 1.00 0.00 H new ATOM 87 N LYS A 5 -6.501 -4.135 0.603 1.00 0.00 N ATOM 88 CA LYS A 5 -6.348 -4.653 1.952 1.00 0.00 C ATOM 89 C LYS A 5 -6.716 -6.137 1.971 1.00 0.00 C ATOM 90 O LYS A 5 -5.843 -6.998 1.868 1.00 0.00 O ATOM 91 CB LYS A 5 -7.215 -3.868 2.939 1.00 0.00 C ATOM 92 CG LYS A 5 -6.851 -2.394 3.060 1.00 0.00 C ATOM 93 CD LYS A 5 -5.533 -2.207 3.796 1.00 0.00 C ATOM 94 CE LYS A 5 -5.164 -0.734 3.907 1.00 0.00 C ATOM 95 NZ LYS A 5 -4.110 -0.501 4.931 1.00 0.00 N ATOM 0 H LYS A 5 -7.347 -4.441 0.122 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.309 -4.538 2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.258 -3.948 2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.136 -4.332 3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.780 -1.952 2.066 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.643 -1.864 3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.606 -2.642 4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.742 -2.743 3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.816 -0.373 2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.052 -0.156 4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.875 0.512 4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.458 -0.806 5.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.259 -1.046 4.684 1.00 0.00 H new ATOM 109 N LEU A 6 -8.009 -6.392 2.098 1.00 0.00 N ATOM 110 CA LEU A 6 -8.506 -7.756 2.115 1.00 0.00 C ATOM 111 C LEU A 6 -8.762 -8.218 0.678 1.00 0.00 C ATOM 112 O LEU A 6 -9.297 -7.464 -0.134 1.00 0.00 O ATOM 113 CB LEU A 6 -9.781 -7.857 2.961 1.00 0.00 C ATOM 114 CG LEU A 6 -10.365 -9.270 3.094 1.00 0.00 C ATOM 115 CD1 LEU A 6 -9.411 -10.157 3.883 1.00 0.00 C ATOM 116 CD2 LEU A 6 -11.723 -9.195 3.778 1.00 0.00 C ATOM 0 H LEU A 6 -8.729 -5.675 2.190 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.759 -8.407 2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.567 -7.474 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -10.540 -7.207 2.525 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.494 -9.706 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.834 -11.158 3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.454 -10.213 3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.262 -9.736 4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -12.139 -10.198 3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.608 -8.755 4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -12.396 -8.578 3.183 1.00 0.00 H new ATOM 128 N VAL A 7 -8.369 -9.454 0.409 1.00 0.00 N ATOM 129 CA VAL A 7 -8.619 -10.052 -0.891 1.00 0.00 C ATOM 130 C VAL A 7 -10.127 -10.208 -1.096 1.00 0.00 C ATOM 131 O VAL A 7 -10.879 -10.325 -0.128 1.00 0.00 O ATOM 132 CB VAL A 7 -7.930 -11.423 -1.035 1.00 0.00 C ATOM 133 CG1 VAL A 7 -6.420 -11.275 -0.915 1.00 0.00 C ATOM 134 CG2 VAL A 7 -8.453 -12.394 0.012 1.00 0.00 C ATOM 0 H VAL A 7 -7.879 -10.058 1.069 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.202 -9.392 -1.651 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.161 -11.823 -2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.949 -12.253 -1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.056 -10.612 -1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.172 -10.855 0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.956 -13.357 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -8.251 -11.999 1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.528 -12.523 -0.116 1.00 0.00 H new ATOM 144 N PRO A 8 -10.536 -10.202 -2.392 1.00 0.00 N ATOM 145 CA PRO A 8 -9.579 -10.088 -3.477 1.00 0.00 C ATOM 146 C PRO A 8 -9.227 -8.625 -3.750 1.00 0.00 C ATOM 147 O PRO A 8 -8.063 -8.290 -3.958 1.00 0.00 O ATOM 148 CB PRO A 8 -10.285 -10.747 -4.666 1.00 0.00 C ATOM 149 CG PRO A 8 -11.730 -10.450 -4.452 1.00 0.00 C ATOM 150 CD PRO A 8 -11.916 -10.435 -2.958 1.00 0.00 C ATOM 0 HA PRO A 8 -8.626 -10.568 -3.255 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.932 -10.339 -5.613 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.100 -11.821 -4.692 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.004 -9.491 -4.892 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.360 -11.207 -4.919 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.605 -9.647 -2.654 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.334 -11.377 -2.603 1.00 0.00 H new ATOM 158 N ILE A 9 -10.258 -7.792 -3.739 1.00 0.00 N ATOM 159 CA ILE A 9 -10.138 -6.447 -4.274 1.00 0.00 C ATOM 160 C ILE A 9 -10.347 -5.433 -3.147 1.00 0.00 C ATOM 161 O ILE A 9 -9.990 -4.263 -3.286 1.00 0.00 O ATOM 162 CB ILE A 9 -11.089 -6.254 -5.457 1.00 0.00 C ATOM 163 CG1 ILE A 9 -10.804 -7.276 -6.561 1.00 0.00 C ATOM 164 CG2 ILE A 9 -11.031 -4.817 -5.978 1.00 0.00 C ATOM 165 CD1 ILE A 9 -9.370 -7.140 -7.077 1.00 0.00 C ATOM 0 H ILE A 9 -11.180 -8.023 -3.368 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.136 -6.283 -4.669 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.107 -6.430 -5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.962 -8.284 -6.178 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.505 -7.134 -7.383 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.716 -4.707 -6.819 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.319 -4.130 -5.183 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.016 -4.589 -6.305 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.194 -7.877 -7.860 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.222 -6.139 -7.481 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.671 -7.307 -6.257 1.00 0.00 H new ATOM 177 N ALA A 10 -10.922 -5.917 -2.057 1.00 0.00 N ATOM 178 CA ALA A 10 -11.336 -5.041 -0.977 1.00 0.00 C ATOM 179 C ALA A 10 -10.248 -3.992 -0.728 1.00 0.00 C ATOM 180 O ALA A 10 -9.068 -4.328 -0.637 1.00 0.00 O ATOM 181 CB ALA A 10 -11.636 -5.873 0.272 1.00 0.00 C ATOM 0 H ALA A 10 -11.111 -6.907 -1.899 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.251 -4.512 -1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.947 -5.214 1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.435 -6.582 0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.740 -6.417 0.570 1.00 0.00 H new ATOM 187 N TYR A 11 -10.683 -2.746 -0.629 1.00 0.00 N ATOM 188 CA TYR A 11 -9.754 -1.633 -0.531 1.00 0.00 C ATOM 189 C TYR A 11 -10.218 -0.625 0.524 1.00 0.00 C ATOM 190 O TYR A 11 -11.387 -0.613 0.906 1.00 0.00 O ATOM 191 CB TYR A 11 -9.598 -0.945 -1.888 1.00 0.00 C ATOM 192 CG TYR A 11 -10.896 -0.432 -2.468 1.00 0.00 C ATOM 193 CD1 TYR A 11 -11.363 0.837 -2.157 1.00 0.00 C ATOM 194 CD2 TYR A 11 -11.652 -1.216 -3.327 1.00 0.00 C ATOM 195 CE1 TYR A 11 -12.550 1.312 -2.683 1.00 0.00 C ATOM 196 CE2 TYR A 11 -12.838 -0.752 -3.860 1.00 0.00 C ATOM 197 CZ TYR A 11 -13.284 0.513 -3.535 1.00 0.00 C ATOM 198 OH TYR A 11 -14.465 0.981 -4.064 1.00 0.00 O ATOM 0 H TYR A 11 -11.668 -2.481 -0.614 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.785 -2.028 -0.225 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.904 -0.111 -1.784 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.150 -1.647 -2.591 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.789 1.465 -1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -11.307 -2.207 -3.583 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -12.900 2.302 -2.429 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.414 -1.376 -4.528 1.00 0.00 H new ATOM 0 HH TYR A 11 -14.857 0.296 -4.645 1.00 0.00 H new ATOM 208 N LYS A 12 -9.277 0.196 0.966 1.00 0.00 N ATOM 209 CA LYS A 12 -9.586 1.246 1.923 1.00 0.00 C ATOM 210 C LYS A 12 -9.142 2.594 1.355 1.00 0.00 C ATOM 211 O LYS A 12 -8.244 2.654 0.518 1.00 0.00 O ATOM 212 CB LYS A 12 -8.909 0.975 3.267 1.00 0.00 C ATOM 213 CG LYS A 12 -9.558 -0.131 4.088 1.00 0.00 C ATOM 214 CD LYS A 12 -8.893 -0.275 5.449 1.00 0.00 C ATOM 215 CE LYS A 12 -9.590 -1.327 6.299 1.00 0.00 C ATOM 216 NZ LYS A 12 -8.999 -1.423 7.661 1.00 0.00 N ATOM 0 H LYS A 12 -8.299 0.156 0.679 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.662 1.266 2.095 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.866 0.713 3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.911 1.894 3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.618 0.086 4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.491 -1.075 3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.846 -0.547 5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.910 0.684 5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.650 -1.084 6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.522 -2.296 5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.502 -2.151 8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.994 -1.680 7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.087 -0.506 8.143 1.00 0.00 H new ATOM 230 N THR A 13 -9.791 3.644 1.835 1.00 0.00 N ATOM 231 CA THR A 13 -9.584 4.971 1.280 1.00 0.00 C ATOM 232 C THR A 13 -8.384 5.647 1.946 1.00 0.00 C ATOM 233 O THR A 13 -8.323 5.745 3.170 1.00 0.00 O ATOM 234 CB THR A 13 -10.831 5.858 1.449 1.00 0.00 C ATOM 235 OG1 THR A 13 -11.945 5.253 0.781 1.00 0.00 O ATOM 236 CG2 THR A 13 -10.585 7.242 0.866 1.00 0.00 C ATOM 0 H THR A 13 -10.461 3.603 2.603 1.00 0.00 H new ATOM 0 HA THR A 13 -9.391 4.850 0.214 1.00 0.00 H new ATOM 0 HB THR A 13 -11.046 5.957 2.513 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.738 5.818 0.891 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.477 7.855 0.995 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.746 7.710 1.381 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.355 7.154 -0.196 1.00 0.00 H new ATOM 244 N CYS A 14 -7.460 6.096 1.111 1.00 0.00 N ATOM 245 CA CYS A 14 -6.245 6.723 1.604 1.00 0.00 C ATOM 246 C CYS A 14 -6.617 8.073 2.221 1.00 0.00 C ATOM 247 O CYS A 14 -7.496 8.768 1.714 1.00 0.00 O ATOM 248 CB CYS A 14 -5.195 6.868 0.502 1.00 0.00 C ATOM 249 SG CYS A 14 -4.538 5.287 -0.145 1.00 0.00 S ATOM 0 H CYS A 14 -7.528 6.038 0.095 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.790 6.090 2.366 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.631 7.429 -0.324 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.365 7.460 0.886 1.00 0.00 H new ATOM 255 N PRO A 15 -5.911 8.411 3.331 1.00 0.00 N ATOM 256 CA PRO A 15 -6.133 9.682 4.000 1.00 0.00 C ATOM 257 C PRO A 15 -5.481 10.829 3.224 1.00 0.00 C ATOM 258 O PRO A 15 -4.522 10.618 2.483 1.00 0.00 O ATOM 259 CB PRO A 15 -5.508 9.488 5.385 1.00 0.00 C ATOM 260 CG PRO A 15 -4.386 8.535 5.156 1.00 0.00 C ATOM 261 CD PRO A 15 -4.869 7.601 4.078 1.00 0.00 C ATOM 0 HA PRO A 15 -7.187 9.951 4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.150 10.432 5.795 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.232 9.087 6.095 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.482 9.059 4.846 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.141 7.990 6.068 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.055 7.295 3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.297 6.692 4.500 1.00 0.00 H new ATOM 269 N GLU A 16 -6.025 12.022 3.424 1.00 0.00 N ATOM 270 CA GLU A 16 -5.460 13.214 2.819 1.00 0.00 C ATOM 271 C GLU A 16 -3.989 13.363 3.215 1.00 0.00 C ATOM 272 O GLU A 16 -3.633 13.175 4.378 1.00 0.00 O ATOM 273 CB GLU A 16 -6.254 14.455 3.230 1.00 0.00 C ATOM 274 CG GLU A 16 -5.757 15.754 2.612 1.00 0.00 C ATOM 275 CD GLU A 16 -6.618 16.917 3.018 1.00 0.00 C ATOM 276 OE1 GLU A 16 -7.563 16.709 3.741 1.00 0.00 O ATOM 277 OE2 GLU A 16 -6.269 18.029 2.701 1.00 0.00 O ATOM 0 H GLU A 16 -6.852 12.187 3.998 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.520 13.114 1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.298 14.311 2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.223 14.548 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.728 15.936 2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.753 15.664 1.526 1.00 0.00 H new ATOM 285 N GLY A 17 -3.173 13.702 2.226 1.00 0.00 N ATOM 286 CA GLY A 17 -1.741 13.813 2.443 1.00 0.00 C ATOM 287 C GLY A 17 -1.008 12.581 1.906 1.00 0.00 C ATOM 288 O GLY A 17 0.159 12.665 1.529 1.00 0.00 O ATOM 0 H GLY A 17 -3.477 13.903 1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.363 14.709 1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.539 13.926 3.508 1.00 0.00 H new ATOM 292 N LYS A 18 -1.725 11.467 1.889 1.00 0.00 N ATOM 293 CA LYS A 18 -1.202 10.251 1.290 1.00 0.00 C ATOM 294 C LYS A 18 -1.778 10.090 -0.117 1.00 0.00 C ATOM 295 O LYS A 18 -2.857 10.605 -0.413 1.00 0.00 O ATOM 296 CB LYS A 18 -1.533 9.033 2.154 1.00 0.00 C ATOM 297 CG LYS A 18 -0.884 9.042 3.531 1.00 0.00 C ATOM 298 CD LYS A 18 -1.094 7.719 4.252 1.00 0.00 C ATOM 299 CE LYS A 18 -0.161 7.584 5.446 1.00 0.00 C ATOM 300 NZ LYS A 18 -0.209 6.220 6.038 1.00 0.00 N ATOM 0 H LYS A 18 -2.663 11.381 2.280 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.116 10.325 1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.614 8.973 2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.221 8.132 1.625 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.184 9.238 3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.302 9.853 4.127 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.129 7.645 4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.923 6.894 3.560 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.859 7.809 5.136 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.433 8.318 6.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.567 6.111 6.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.119 6.083 6.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.108 5.511 5.284 1.00 0.00 H new ATOM 314 N ASN A 19 -1.037 9.374 -0.949 1.00 0.00 N ATOM 315 CA ASN A 19 -1.314 9.354 -2.374 1.00 0.00 C ATOM 316 C ASN A 19 -0.910 7.997 -2.950 1.00 0.00 C ATOM 317 O ASN A 19 -1.565 7.483 -3.857 1.00 0.00 O ATOM 318 CB ASN A 19 -0.610 10.483 -3.103 1.00 0.00 C ATOM 319 CG ASN A 19 -0.879 10.511 -4.581 1.00 0.00 C ATOM 320 OD1 ASN A 19 -2.016 10.718 -5.022 1.00 0.00 O ATOM 321 ND2 ASN A 19 0.142 10.222 -5.347 1.00 0.00 N ATOM 0 H ASN A 19 -0.243 8.802 -0.662 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.384 9.505 -2.519 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.921 11.433 -2.668 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.464 10.394 -2.940 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.020 10.159 -6.358 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.060 10.060 -4.933 1.00 0.00 H new ATOM 328 N LEU A 20 0.168 7.454 -2.404 1.00 0.00 N ATOM 329 CA LEU A 20 0.758 6.243 -2.950 1.00 0.00 C ATOM 330 C LEU A 20 0.173 5.027 -2.230 1.00 0.00 C ATOM 331 O LEU A 20 -0.242 5.125 -1.075 1.00 0.00 O ATOM 332 CB LEU A 20 2.285 6.279 -2.816 1.00 0.00 C ATOM 333 CG LEU A 20 2.959 7.545 -3.361 1.00 0.00 C ATOM 334 CD1 LEU A 20 4.471 7.438 -3.212 1.00 0.00 C ATOM 335 CD2 LEU A 20 2.573 7.739 -4.820 1.00 0.00 C ATOM 0 H LEU A 20 0.649 7.831 -1.588 1.00 0.00 H new ATOM 0 HA LEU A 20 0.522 6.173 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.544 6.174 -1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.700 5.414 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 20 2.621 8.410 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.940 8.342 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.726 7.323 -2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.831 6.573 -3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.052 8.639 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.899 6.876 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.491 7.842 -4.899 1.00 0.00 H new ATOM 347 N CYS A 21 0.160 3.909 -2.940 1.00 0.00 N ATOM 348 CA CYS A 21 -0.228 2.645 -2.339 1.00 0.00 C ATOM 349 C CYS A 21 0.995 1.723 -2.325 1.00 0.00 C ATOM 350 O CYS A 21 1.643 1.532 -3.353 1.00 0.00 O ATOM 351 CB CYS A 21 -1.412 2.010 -3.070 1.00 0.00 C ATOM 352 SG CYS A 21 -3.001 2.897 -2.874 1.00 0.00 S ATOM 0 H CYS A 21 0.412 3.852 -3.927 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.566 2.815 -1.317 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.175 1.949 -4.132 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.536 0.988 -2.712 1.00 0.00 H new ATOM 358 N TYR A 22 1.273 1.180 -1.148 1.00 0.00 N ATOM 359 CA TYR A 22 2.440 0.335 -0.973 1.00 0.00 C ATOM 360 C TYR A 22 2.035 -1.074 -0.531 1.00 0.00 C ATOM 361 O TYR A 22 0.937 -1.273 -0.015 1.00 0.00 O ATOM 362 CB TYR A 22 3.399 0.955 0.045 1.00 0.00 C ATOM 363 CG TYR A 22 2.913 0.875 1.474 1.00 0.00 C ATOM 364 CD1 TYR A 22 3.177 -0.240 2.256 1.00 0.00 C ATOM 365 CD2 TYR A 22 2.192 1.917 2.039 1.00 0.00 C ATOM 366 CE1 TYR A 22 2.734 -0.318 3.563 1.00 0.00 C ATOM 367 CE2 TYR A 22 1.744 1.850 3.344 1.00 0.00 C ATOM 368 CZ TYR A 22 2.018 0.730 4.103 1.00 0.00 C ATOM 369 OH TYR A 22 1.575 0.659 5.404 1.00 0.00 O ATOM 0 H TYR A 22 0.710 1.309 -0.308 1.00 0.00 H new ATOM 0 HA TYR A 22 2.949 0.257 -1.934 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.364 0.454 -0.028 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.562 2.001 -0.215 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.739 -1.062 1.836 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.977 2.795 1.449 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.947 -1.194 4.158 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.183 2.669 3.768 1.00 0.00 H new ATOM 0 HH TYR A 22 1.089 1.479 5.629 1.00 0.00 H new ATOM 379 N LYS A 23 2.943 -2.011 -0.751 1.00 0.00 N ATOM 380 CA LYS A 23 2.788 -3.347 -0.197 1.00 0.00 C ATOM 381 C LYS A 23 4.094 -3.770 0.477 1.00 0.00 C ATOM 382 O LYS A 23 5.177 -3.363 0.056 1.00 0.00 O ATOM 383 CB LYS A 23 2.392 -4.346 -1.286 1.00 0.00 C ATOM 384 CG LYS A 23 3.392 -4.459 -2.429 1.00 0.00 C ATOM 385 CD LYS A 23 2.965 -5.517 -3.436 1.00 0.00 C ATOM 386 CE LYS A 23 1.488 -5.390 -3.781 1.00 0.00 C ATOM 387 NZ LYS A 23 1.067 -6.388 -4.800 1.00 0.00 N ATOM 0 H LYS A 23 3.789 -1.874 -1.305 1.00 0.00 H new ATOM 0 HA LYS A 23 1.990 -3.334 0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.265 -5.329 -0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.424 -4.056 -1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.486 -3.495 -2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.375 -4.709 -2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.562 -5.420 -4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.161 -6.509 -3.029 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.892 -5.520 -2.878 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.287 -4.385 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.036 -6.518 -4.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.330 -6.049 -5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.540 -7.295 -4.613 1.00 0.00 H new ATOM 401 N MET A 24 3.951 -4.581 1.518 1.00 0.00 N ATOM 402 CA MET A 24 5.103 -5.028 2.282 1.00 0.00 C ATOM 403 C MET A 24 5.320 -6.532 2.117 1.00 0.00 C ATOM 404 O MET A 24 4.368 -7.312 2.177 1.00 0.00 O ATOM 405 CB MET A 24 4.924 -4.674 3.756 1.00 0.00 C ATOM 406 CG MET A 24 4.851 -3.180 4.041 1.00 0.00 C ATOM 407 SD MET A 24 4.831 -2.808 5.805 1.00 0.00 S ATOM 408 CE MET A 24 3.177 -3.332 6.243 1.00 0.00 C ATOM 0 H MET A 24 3.055 -4.939 1.849 1.00 0.00 H new ATOM 0 HA MET A 24 5.987 -4.517 1.900 1.00 0.00 H new ATOM 0 HB2 MET A 24 4.012 -5.146 4.122 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.753 -5.099 4.322 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.705 -2.684 3.579 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.954 -2.769 3.577 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.732 -2.604 6.921 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.569 -3.408 5.342 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.221 -4.304 6.733 1.00 0.00 H new ATOM 418 N PHE A 25 6.575 -6.899 1.912 1.00 0.00 N ATOM 419 CA PHE A 25 6.953 -8.303 1.886 1.00 0.00 C ATOM 420 C PHE A 25 7.810 -8.662 3.097 1.00 0.00 C ATOM 421 O PHE A 25 8.250 -7.783 3.837 1.00 0.00 O ATOM 422 CB PHE A 25 7.773 -8.520 0.611 1.00 0.00 C ATOM 423 CG PHE A 25 7.009 -8.227 -0.680 1.00 0.00 C ATOM 424 CD1 PHE A 25 6.419 -9.241 -1.368 1.00 0.00 C ATOM 425 CD2 PHE A 25 6.920 -6.951 -1.143 1.00 0.00 C ATOM 426 CE1 PHE A 25 5.708 -8.970 -2.566 1.00 0.00 C ATOM 427 CE2 PHE A 25 6.210 -6.680 -2.343 1.00 0.00 C ATOM 428 CZ PHE A 25 5.620 -7.693 -3.029 1.00 0.00 C ATOM 0 H PHE A 25 7.346 -6.248 1.762 1.00 0.00 H new ATOM 0 HA PHE A 25 6.062 -8.930 1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.658 -7.885 0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.122 -9.552 0.588 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.492 -10.254 -1.002 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.389 -6.145 -0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.237 -9.776 -3.110 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.139 -5.667 -2.711 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.081 -7.485 -3.942 1.00 0.00 H new ATOM 438 N MET A 26 8.021 -9.959 3.269 1.00 0.00 N ATOM 439 CA MET A 26 9.056 -10.438 4.170 1.00 0.00 C ATOM 440 C MET A 26 10.125 -11.226 3.410 1.00 0.00 C ATOM 441 O MET A 26 9.810 -11.964 2.480 1.00 0.00 O ATOM 442 CB MET A 26 8.438 -11.300 5.269 1.00 0.00 C ATOM 443 CG MET A 26 7.467 -10.561 6.179 1.00 0.00 C ATOM 444 SD MET A 26 6.743 -11.631 7.438 1.00 0.00 S ATOM 445 CE MET A 26 5.671 -10.475 8.288 1.00 0.00 C ATOM 0 H MET A 26 7.492 -10.694 2.799 1.00 0.00 H new ATOM 0 HA MET A 26 9.538 -9.574 4.628 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.917 -12.138 4.806 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.239 -11.720 5.878 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.987 -9.735 6.665 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.670 -10.125 5.576 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.346 -10.908 9.234 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.214 -9.550 8.480 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.800 -10.263 7.668 1.00 0.00 H new ATOM 455 N MET A 27 11.364 -11.039 3.836 1.00 0.00 N ATOM 456 CA MET A 27 12.496 -11.604 3.118 1.00 0.00 C ATOM 457 C MET A 27 12.246 -13.075 2.776 1.00 0.00 C ATOM 458 O MET A 27 12.744 -13.574 1.766 1.00 0.00 O ATOM 459 CB MET A 27 13.771 -11.457 3.946 1.00 0.00 C ATOM 460 CG MET A 27 14.337 -10.045 3.986 1.00 0.00 C ATOM 461 SD MET A 27 14.755 -9.418 2.347 1.00 0.00 S ATOM 462 CE MET A 27 16.137 -10.476 1.923 1.00 0.00 C ATOM 0 H MET A 27 11.611 -10.505 4.669 1.00 0.00 H new ATOM 0 HA MET A 27 12.619 -11.056 2.184 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.566 -11.782 4.966 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.530 -12.128 3.544 1.00 0.00 H new ATOM 0 HG2 MET A 27 13.610 -9.379 4.451 1.00 0.00 H new ATOM 0 HG3 MET A 27 15.228 -10.032 4.614 1.00 0.00 H new ATOM 0 HE1 MET A 27 16.673 -10.052 1.074 1.00 0.00 H new ATOM 0 HE2 MET A 27 16.812 -10.553 2.776 1.00 0.00 H new ATOM 0 HE3 MET A 27 15.769 -11.468 1.661 1.00 0.00 H new ATOM 472 N SER A 28 11.477 -13.729 3.633 1.00 0.00 N ATOM 473 CA SER A 28 11.000 -15.069 3.341 1.00 0.00 C ATOM 474 C SER A 28 10.121 -15.048 2.088 1.00 0.00 C ATOM 475 O SER A 28 10.558 -15.461 1.013 1.00 0.00 O ATOM 476 CB SER A 28 10.237 -15.626 4.526 1.00 0.00 C ATOM 477 OG SER A 28 9.749 -16.917 4.280 1.00 0.00 O ATOM 0 H SER A 28 11.172 -13.355 4.532 1.00 0.00 H new ATOM 0 HA SER A 28 11.855 -15.718 3.153 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.889 -15.646 5.399 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.405 -14.964 4.764 1.00 0.00 H new ATOM 0 HG SER A 28 9.265 -17.240 5.069 1.00 0.00 H new ATOM 483 N ASP A 29 8.902 -14.562 2.265 1.00 0.00 N ATOM 484 CA ASP A 29 7.922 -14.586 1.191 1.00 0.00 C ATOM 485 C ASP A 29 8.044 -13.303 0.368 1.00 0.00 C ATOM 486 O ASP A 29 7.317 -12.338 0.604 1.00 0.00 O ATOM 487 CB ASP A 29 6.505 -14.741 1.747 1.00 0.00 C ATOM 488 CG ASP A 29 5.431 -14.937 0.686 1.00 0.00 C ATOM 489 OD1 ASP A 29 5.771 -15.004 -0.471 1.00 0.00 O ATOM 490 OD2 ASP A 29 4.303 -15.174 1.048 1.00 0.00 O ATOM 0 H ASP A 29 8.569 -14.149 3.136 1.00 0.00 H new ATOM 0 HA ASP A 29 8.118 -15.445 0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.486 -15.592 2.427 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.260 -13.857 2.336 1.00 0.00 H new ATOM 496 N LEU A 30 8.970 -13.330 -0.580 1.00 0.00 N ATOM 497 CA LEU A 30 9.126 -12.221 -1.506 1.00 0.00 C ATOM 498 C LEU A 30 8.037 -12.300 -2.577 1.00 0.00 C ATOM 499 O LEU A 30 7.735 -11.306 -3.238 1.00 0.00 O ATOM 500 CB LEU A 30 10.523 -12.241 -2.139 1.00 0.00 C ATOM 501 CG LEU A 30 11.597 -11.453 -1.378 1.00 0.00 C ATOM 502 CD1 LEU A 30 11.055 -11.005 -0.027 1.00 0.00 C ATOM 503 CD2 LEU A 30 12.834 -12.320 -1.202 1.00 0.00 C ATOM 0 H LEU A 30 9.620 -14.103 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 30 9.022 -11.280 -0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.850 -13.277 -2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.451 -11.842 -3.151 1.00 0.00 H new ATOM 0 HG LEU A 30 11.870 -10.565 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.824 -10.446 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.183 -10.369 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.770 -11.879 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.597 -11.760 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.573 -13.216 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.220 -12.607 -2.180 1.00 0.00 H new ATOM 515 N THR A 31 7.475 -13.493 -2.718 1.00 0.00 N ATOM 516 CA THR A 31 6.538 -13.755 -3.798 1.00 0.00 C ATOM 517 C THR A 31 5.210 -13.043 -3.536 1.00 0.00 C ATOM 518 O THR A 31 4.643 -12.430 -4.440 1.00 0.00 O ATOM 519 CB THR A 31 6.285 -15.264 -3.972 1.00 0.00 C ATOM 520 OG1 THR A 31 7.518 -15.925 -4.281 1.00 0.00 O ATOM 521 CG2 THR A 31 5.287 -15.510 -5.094 1.00 0.00 C ATOM 0 H THR A 31 7.651 -14.288 -2.103 1.00 0.00 H new ATOM 0 HA THR A 31 6.983 -13.372 -4.716 1.00 0.00 H new ATOM 0 HB THR A 31 5.876 -15.659 -3.042 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.356 -16.885 -4.390 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.120 -16.581 -5.204 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.344 -15.018 -4.856 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.682 -15.107 -6.027 1.00 0.00 H new ATOM 529 N ILE A 32 4.752 -13.147 -2.296 1.00 0.00 N ATOM 530 CA ILE A 32 3.446 -12.620 -1.935 1.00 0.00 C ATOM 531 C ILE A 32 3.601 -11.662 -0.752 1.00 0.00 C ATOM 532 O ILE A 32 4.171 -12.024 0.275 1.00 0.00 O ATOM 533 CB ILE A 32 2.454 -13.740 -1.572 1.00 0.00 C ATOM 534 CG1 ILE A 32 2.176 -14.622 -2.792 1.00 0.00 C ATOM 535 CG2 ILE A 32 1.161 -13.151 -1.031 1.00 0.00 C ATOM 536 CD1 ILE A 32 1.503 -13.891 -3.933 1.00 0.00 C ATOM 0 H ILE A 32 5.261 -13.588 -1.530 1.00 0.00 H new ATOM 0 HA ILE A 32 3.042 -12.093 -2.799 1.00 0.00 H new ATOM 0 HB ILE A 32 2.900 -14.359 -0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.117 -15.042 -3.147 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.547 -15.459 -2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.471 -13.957 -0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.374 -12.564 -0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.709 -12.509 -1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.339 -14.581 -4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.545 -13.494 -3.596 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.139 -13.071 -4.265 1.00 0.00 H new ATOM 548 N PRO A 33 3.066 -10.424 -0.941 1.00 0.00 N ATOM 549 CA PRO A 33 3.112 -9.423 0.109 1.00 0.00 C ATOM 550 C PRO A 33 2.151 -9.776 1.244 1.00 0.00 C ATOM 551 O PRO A 33 1.224 -10.564 1.057 1.00 0.00 O ATOM 552 CB PRO A 33 2.721 -8.123 -0.601 1.00 0.00 C ATOM 553 CG PRO A 33 1.847 -8.562 -1.726 1.00 0.00 C ATOM 554 CD PRO A 33 2.414 -9.882 -2.179 1.00 0.00 C ATOM 0 HA PRO A 33 4.090 -9.346 0.584 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.193 -7.447 0.071 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.599 -7.590 -0.965 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.812 -8.669 -1.401 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.853 -7.833 -2.536 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.634 -10.549 -2.547 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.133 -9.754 -2.988 1.00 0.00 H new ATOM 562 N VAL A 34 2.401 -9.176 2.399 1.00 0.00 N ATOM 563 CA VAL A 34 1.772 -9.624 3.629 1.00 0.00 C ATOM 564 C VAL A 34 0.771 -8.566 4.099 1.00 0.00 C ATOM 565 O VAL A 34 -0.258 -8.899 4.687 1.00 0.00 O ATOM 566 CB VAL A 34 2.805 -9.892 4.739 1.00 0.00 C ATOM 567 CG1 VAL A 34 3.836 -10.910 4.273 1.00 0.00 C ATOM 568 CG2 VAL A 34 3.488 -8.598 5.155 1.00 0.00 C ATOM 0 H VAL A 34 3.032 -8.382 2.508 1.00 0.00 H new ATOM 0 HA VAL A 34 1.260 -10.564 3.423 1.00 0.00 H new ATOM 0 HB VAL A 34 2.282 -10.300 5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.558 -11.087 5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.336 -11.845 4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.353 -10.527 3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.215 -8.806 5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.997 -8.163 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.742 -7.896 5.528 1.00 0.00 H new ATOM 578 N LYS A 35 1.107 -7.317 3.824 1.00 0.00 N ATOM 579 CA LYS A 35 0.249 -6.208 4.204 1.00 0.00 C ATOM 580 C LYS A 35 0.423 -5.064 3.203 1.00 0.00 C ATOM 581 O LYS A 35 1.500 -4.892 2.632 1.00 0.00 O ATOM 582 CB LYS A 35 0.566 -5.735 5.624 1.00 0.00 C ATOM 583 CG LYS A 35 -0.069 -6.577 6.723 1.00 0.00 C ATOM 584 CD LYS A 35 -0.097 -5.829 8.048 1.00 0.00 C ATOM 585 CE LYS A 35 -1.230 -4.816 8.089 1.00 0.00 C ATOM 586 NZ LYS A 35 -1.399 -4.224 9.444 1.00 0.00 N ATOM 0 H LYS A 35 1.964 -7.046 3.341 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.788 -6.542 4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.647 -5.736 5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.231 -4.704 5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.085 -6.848 6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.488 -7.506 6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.212 -6.540 8.866 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.854 -5.319 8.200 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.033 -4.022 7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.159 -5.299 7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.181 -3.539 9.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.612 -4.978 10.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.521 -3.741 9.724 1.00 0.00 H new ATOM 600 N ARG A 36 -0.652 -4.312 3.020 1.00 0.00 N ATOM 601 CA ARG A 36 -0.599 -3.124 2.185 1.00 0.00 C ATOM 602 C ARG A 36 -1.308 -1.956 2.876 1.00 0.00 C ATOM 603 O ARG A 36 -1.962 -2.143 3.902 1.00 0.00 O ATOM 604 CB ARG A 36 -1.255 -3.377 0.825 1.00 0.00 C ATOM 605 CG ARG A 36 -0.642 -4.599 0.140 1.00 0.00 C ATOM 606 CD ARG A 36 -1.370 -5.880 0.551 1.00 0.00 C ATOM 607 NE ARG A 36 -2.672 -5.969 -0.147 1.00 0.00 N ATOM 608 CZ ARG A 36 -3.480 -7.052 -0.109 1.00 0.00 C ATOM 609 NH1 ARG A 36 -4.621 -7.022 -0.770 1.00 0.00 N ATOM 610 NH2 ARG A 36 -3.122 -8.147 0.597 1.00 0.00 N ATOM 0 H ARG A 36 -1.564 -4.502 3.435 1.00 0.00 H new ATOM 0 HA ARG A 36 0.451 -2.875 2.029 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.326 -3.529 0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.133 -2.500 0.189 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.694 -4.478 -0.942 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.413 -4.676 0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.758 -6.749 0.309 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.525 -5.890 1.630 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.979 -5.163 -0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.882 -6.190 -1.299 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.242 -7.831 -0.752 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.238 -8.160 1.105 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.736 -8.961 0.622 1.00 0.00 H new ATOM 624 N GLY A 37 -1.156 -0.780 2.288 1.00 0.00 N ATOM 625 CA GLY A 37 -1.793 0.412 2.819 1.00 0.00 C ATOM 626 C GLY A 37 -1.394 1.652 2.018 1.00 0.00 C ATOM 627 O GLY A 37 -0.808 1.538 0.941 1.00 0.00 O ATOM 0 H GLY A 37 -0.600 -0.627 1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.876 0.292 2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.512 0.544 3.864 1.00 0.00 H new ATOM 631 N CYS A 38 -1.726 2.808 2.573 1.00 0.00 N ATOM 632 CA CYS A 38 -1.452 4.067 1.901 1.00 0.00 C ATOM 633 C CYS A 38 -0.226 4.706 2.557 1.00 0.00 C ATOM 634 O CYS A 38 0.052 4.461 3.729 1.00 0.00 O ATOM 635 CB CYS A 38 -2.714 4.890 2.164 1.00 0.00 C ATOM 636 SG CYS A 38 -4.233 4.162 1.507 1.00 0.00 S ATOM 0 H CYS A 38 -2.182 2.899 3.481 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.239 3.978 0.836 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.827 5.026 3.240 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.583 5.881 1.730 1.00 0.00 H new ATOM 642 N ILE A 39 0.473 5.514 1.771 1.00 0.00 N ATOM 643 CA ILE A 39 1.506 6.375 2.317 1.00 0.00 C ATOM 644 C ILE A 39 1.758 7.536 1.351 1.00 0.00 C ATOM 645 O ILE A 39 1.376 7.470 0.184 1.00 0.00 O ATOM 646 CB ILE A 39 2.820 5.610 2.565 1.00 0.00 C ATOM 647 CG1 ILE A 39 3.754 6.428 3.461 1.00 0.00 C ATOM 648 CG2 ILE A 39 3.499 5.277 1.246 1.00 0.00 C ATOM 649 CD1 ILE A 39 4.786 5.597 4.187 1.00 0.00 C ATOM 0 H ILE A 39 0.343 5.589 0.762 1.00 0.00 H new ATOM 0 HA ILE A 39 1.158 6.752 3.279 1.00 0.00 H new ATOM 0 HB ILE A 39 2.586 4.676 3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.265 7.174 2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.156 6.970 4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.426 4.737 1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.837 4.656 0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.722 6.199 0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.410 6.247 4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.284 4.868 4.824 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.410 5.076 3.461 1.00 0.00 H new ATOM 661 N ASP A 40 2.397 8.573 1.875 1.00 0.00 N ATOM 662 CA ASP A 40 2.704 9.745 1.076 1.00 0.00 C ATOM 663 C ASP A 40 4.073 9.564 0.416 1.00 0.00 C ATOM 664 O ASP A 40 4.221 9.784 -0.784 1.00 0.00 O ATOM 665 CB ASP A 40 2.680 11.011 1.934 1.00 0.00 C ATOM 666 CG ASP A 40 3.534 10.936 3.191 1.00 0.00 C ATOM 667 OD1 ASP A 40 3.990 9.865 3.513 1.00 0.00 O ATOM 668 OD2 ASP A 40 3.856 11.969 3.730 1.00 0.00 O ATOM 0 H ASP A 40 2.710 8.624 2.844 1.00 0.00 H new ATOM 0 HA ASP A 40 1.945 9.857 0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.019 11.852 1.329 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.650 11.221 2.222 1.00 0.00 H new ATOM 674 N VAL A 41 5.037 9.166 1.231 1.00 0.00 N ATOM 675 CA VAL A 41 6.395 8.979 0.750 1.00 0.00 C ATOM 676 C VAL A 41 6.770 7.499 0.850 1.00 0.00 C ATOM 677 O VAL A 41 6.594 6.882 1.899 1.00 0.00 O ATOM 678 CB VAL A 41 7.406 9.826 1.544 1.00 0.00 C ATOM 679 CG1 VAL A 41 8.817 9.601 1.020 1.00 0.00 C ATOM 680 CG2 VAL A 41 7.040 11.301 1.471 1.00 0.00 C ATOM 0 H VAL A 41 4.905 8.967 2.223 1.00 0.00 H new ATOM 0 HA VAL A 41 6.433 9.307 -0.289 1.00 0.00 H new ATOM 0 HB VAL A 41 7.372 9.514 2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.519 10.207 1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.080 8.548 1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.865 9.886 -0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.766 11.884 2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.046 11.626 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.046 11.450 1.892 1.00 0.00 H new ATOM 690 N CYS A 42 7.275 6.974 -0.255 1.00 0.00 N ATOM 691 CA CYS A 42 7.545 5.548 -0.351 1.00 0.00 C ATOM 692 C CYS A 42 8.724 5.219 0.567 1.00 0.00 C ATOM 693 O CYS A 42 9.806 5.786 0.421 1.00 0.00 O ATOM 694 CB CYS A 42 7.808 5.117 -1.794 1.00 0.00 C ATOM 695 SG CYS A 42 8.009 3.315 -2.034 1.00 0.00 S ATOM 0 H CYS A 42 7.505 7.509 -1.092 1.00 0.00 H new ATOM 0 HA CYS A 42 6.667 4.988 -0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 42 6.983 5.462 -2.417 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.708 5.619 -2.150 1.00 0.00 H new ATOM 701 N PRO A 43 8.468 4.279 1.516 1.00 0.00 N ATOM 702 CA PRO A 43 9.483 3.895 2.481 1.00 0.00 C ATOM 703 C PRO A 43 10.559 3.023 1.828 1.00 0.00 C ATOM 704 O PRO A 43 10.249 2.160 1.008 1.00 0.00 O ATOM 705 CB PRO A 43 8.701 3.141 3.563 1.00 0.00 C ATOM 706 CG PRO A 43 7.515 2.591 2.848 1.00 0.00 C ATOM 707 CD PRO A 43 7.175 3.611 1.793 1.00 0.00 C ATOM 0 HA PRO A 43 10.024 4.747 2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.301 2.347 4.006 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.403 3.806 4.374 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.740 1.623 2.400 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.680 2.439 3.532 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.768 3.140 0.898 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.427 4.320 2.148 1.00 0.00 H new ATOM 715 N LYS A 44 11.798 3.278 2.216 1.00 0.00 N ATOM 716 CA LYS A 44 12.922 2.530 1.676 1.00 0.00 C ATOM 717 C LYS A 44 12.874 1.094 2.204 1.00 0.00 C ATOM 718 O LYS A 44 12.241 0.827 3.223 1.00 0.00 O ATOM 719 CB LYS A 44 14.248 3.198 2.040 1.00 0.00 C ATOM 720 CG LYS A 44 14.462 4.563 1.399 1.00 0.00 C ATOM 721 CD LYS A 44 15.792 5.170 1.820 1.00 0.00 C ATOM 722 CE LYS A 44 16.035 6.505 1.131 1.00 0.00 C ATOM 723 NZ LYS A 44 17.330 7.114 1.540 1.00 0.00 N ATOM 0 H LYS A 44 12.050 3.993 2.899 1.00 0.00 H new ATOM 0 HA LYS A 44 12.850 2.515 0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.301 3.307 3.123 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.065 2.540 1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.432 4.466 0.314 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.649 5.231 1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.804 5.309 2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.601 4.481 1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.026 6.363 0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.221 7.190 1.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.457 8.022 1.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.329 7.274 2.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.110 6.473 1.290 1.00 0.00 H new ATOM 737 N ASN A 45 13.552 0.211 1.487 1.00 0.00 N ATOM 738 CA ASN A 45 13.505 -1.205 1.805 1.00 0.00 C ATOM 739 C ASN A 45 14.324 -1.467 3.070 1.00 0.00 C ATOM 740 O ASN A 45 15.363 -0.846 3.282 1.00 0.00 O ATOM 741 CB ASN A 45 13.999 -2.059 0.652 1.00 0.00 C ATOM 742 CG ASN A 45 13.115 -2.009 -0.563 1.00 0.00 C ATOM 743 OD1 ASN A 45 11.913 -1.731 -0.470 1.00 0.00 O ATOM 744 ND2 ASN A 45 13.683 -2.356 -1.689 1.00 0.00 N ATOM 0 H ASN A 45 14.137 0.449 0.686 1.00 0.00 H new ATOM 0 HA ASN A 45 12.467 -1.485 1.981 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.001 -1.733 0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.082 -3.093 0.987 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.130 -2.407 -2.545 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.679 -2.575 -1.711 1.00 0.00 H new ATOM 751 N SER A 46 13.823 -2.391 3.879 1.00 0.00 N ATOM 752 CA SER A 46 14.512 -2.767 5.102 1.00 0.00 C ATOM 753 C SER A 46 15.094 -4.175 4.961 1.00 0.00 C ATOM 754 O SER A 46 14.891 -4.836 3.944 1.00 0.00 O ATOM 755 CB SER A 46 13.566 -2.689 6.285 1.00 0.00 C ATOM 756 OG SER A 46 12.554 -3.654 6.214 1.00 0.00 O ATOM 0 H SER A 46 12.949 -2.889 3.711 1.00 0.00 H new ATOM 0 HA SER A 46 15.332 -2.070 5.278 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.129 -2.822 7.209 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.118 -1.696 6.325 1.00 0.00 H new ATOM 0 HG SER A 46 12.176 -3.666 5.310 1.00 0.00 H new ATOM 762 N LEU A 47 15.807 -4.593 5.998 1.00 0.00 N ATOM 763 CA LEU A 47 16.488 -5.875 5.968 1.00 0.00 C ATOM 764 C LEU A 47 15.466 -6.996 6.171 1.00 0.00 C ATOM 765 O LEU A 47 15.678 -8.123 5.727 1.00 0.00 O ATOM 766 CB LEU A 47 17.583 -5.929 7.040 1.00 0.00 C ATOM 767 CG LEU A 47 18.726 -4.923 6.855 1.00 0.00 C ATOM 768 CD1 LEU A 47 19.678 -4.991 8.043 1.00 0.00 C ATOM 769 CD2 LEU A 47 19.462 -5.220 5.557 1.00 0.00 C ATOM 0 H LEU A 47 15.927 -4.066 6.863 1.00 0.00 H new ATOM 0 HA LEU A 47 16.969 -6.006 4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 47 17.125 -5.759 8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 47 18.004 -6.934 7.057 1.00 0.00 H new ATOM 0 HG LEU A 47 18.317 -3.914 6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 47 20.486 -4.273 7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 47 19.136 -4.753 8.958 1.00 0.00 H new ATOM 0 HD13 LEU A 47 20.094 -5.996 8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 47 20.274 -4.504 5.427 1.00 0.00 H new ATOM 0 HD22 LEU A 47 19.871 -6.230 5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.769 -5.139 4.719 1.00 0.00 H new ATOM 781 N LEU A 48 14.378 -6.647 6.841 1.00 0.00 N ATOM 782 CA LEU A 48 13.398 -7.640 7.249 1.00 0.00 C ATOM 783 C LEU A 48 12.263 -7.680 6.225 1.00 0.00 C ATOM 784 O LEU A 48 11.874 -8.752 5.766 1.00 0.00 O ATOM 785 CB LEU A 48 12.862 -7.326 8.652 1.00 0.00 C ATOM 786 CG LEU A 48 13.911 -7.344 9.771 1.00 0.00 C ATOM 787 CD1 LEU A 48 13.271 -6.942 11.093 1.00 0.00 C ATOM 788 CD2 LEU A 48 14.527 -8.732 9.868 1.00 0.00 C ATOM 0 H LEU A 48 14.153 -5.690 7.112 1.00 0.00 H new ATOM 0 HA LEU A 48 13.873 -8.620 7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.392 -6.343 8.632 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.082 -8.047 8.895 1.00 0.00 H new ATOM 0 HG LEU A 48 14.699 -6.627 9.543 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.024 -6.958 11.881 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.857 -5.937 11.006 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.473 -7.643 11.339 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.272 -8.744 10.663 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.748 -9.461 10.090 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.003 -8.986 8.921 1.00 0.00 H new ATOM 800 N VAL A 49 11.762 -6.497 5.896 1.00 0.00 N ATOM 801 CA VAL A 49 10.610 -6.390 5.021 1.00 0.00 C ATOM 802 C VAL A 49 10.957 -5.489 3.835 1.00 0.00 C ATOM 803 O VAL A 49 11.739 -4.550 3.972 1.00 0.00 O ATOM 804 CB VAL A 49 9.378 -5.830 5.757 1.00 0.00 C ATOM 805 CG1 VAL A 49 8.919 -6.797 6.838 1.00 0.00 C ATOM 806 CG2 VAL A 49 9.691 -4.469 6.359 1.00 0.00 C ATOM 0 H VAL A 49 12.135 -5.605 6.221 1.00 0.00 H new ATOM 0 HA VAL A 49 10.358 -7.392 4.673 1.00 0.00 H new ATOM 0 HB VAL A 49 8.570 -5.710 5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.048 -6.386 7.348 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.656 -7.752 6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.724 -6.947 7.558 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.810 -4.088 6.875 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.513 -4.565 7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.974 -3.777 5.566 1.00 0.00 H new ATOM 816 N LYS A 50 10.359 -5.808 2.695 1.00 0.00 N ATOM 817 CA LYS A 50 10.585 -5.030 1.489 1.00 0.00 C ATOM 818 C LYS A 50 9.353 -4.167 1.203 1.00 0.00 C ATOM 819 O LYS A 50 8.226 -4.588 1.458 1.00 0.00 O ATOM 820 CB LYS A 50 10.894 -5.944 0.301 1.00 0.00 C ATOM 821 CG LYS A 50 11.102 -5.213 -1.018 1.00 0.00 C ATOM 822 CD LYS A 50 11.361 -6.189 -2.156 1.00 0.00 C ATOM 823 CE LYS A 50 11.533 -5.462 -3.481 1.00 0.00 C ATOM 824 NZ LYS A 50 11.720 -6.408 -4.615 1.00 0.00 N ATOM 0 H LYS A 50 9.719 -6.594 2.582 1.00 0.00 H new ATOM 0 HA LYS A 50 11.448 -4.382 1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.790 -6.523 0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.076 -6.655 0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.222 -4.611 -1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.943 -4.526 -0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.256 -6.773 -1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.532 -6.893 -2.230 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.659 -4.839 -3.669 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.393 -4.795 -3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.833 -5.872 -5.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.569 -6.986 -4.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.889 -7.028 -4.690 1.00 0.00 H new ATOM 838 N TYR A 51 9.611 -2.981 0.676 1.00 0.00 N ATOM 839 CA TYR A 51 8.540 -2.037 0.398 1.00 0.00 C ATOM 840 C TYR A 51 8.430 -1.759 -1.102 1.00 0.00 C ATOM 841 O TYR A 51 9.414 -1.391 -1.741 1.00 0.00 O ATOM 842 CB TYR A 51 8.768 -0.731 1.164 1.00 0.00 C ATOM 843 CG TYR A 51 8.715 -0.885 2.668 1.00 0.00 C ATOM 844 CD1 TYR A 51 9.865 -1.145 3.399 1.00 0.00 C ATOM 845 CD2 TYR A 51 7.514 -0.769 3.353 1.00 0.00 C ATOM 846 CE1 TYR A 51 9.822 -1.287 4.772 1.00 0.00 C ATOM 847 CE2 TYR A 51 7.460 -0.908 4.726 1.00 0.00 C ATOM 848 CZ TYR A 51 8.616 -1.167 5.433 1.00 0.00 C ATOM 849 OH TYR A 51 8.567 -1.305 6.801 1.00 0.00 O ATOM 0 H TYR A 51 10.545 -2.650 0.434 1.00 0.00 H new ATOM 0 HA TYR A 51 7.602 -2.482 0.732 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.739 -0.322 0.885 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.016 -0.005 0.856 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.810 -1.238 2.885 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.607 -0.567 2.804 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.727 -1.491 5.325 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.517 -0.814 5.244 1.00 0.00 H new ATOM 0 HH TYR A 51 7.644 -1.191 7.108 1.00 0.00 H new ATOM 859 N VAL A 52 7.224 -1.944 -1.618 1.00 0.00 N ATOM 860 CA VAL A 52 6.931 -1.564 -2.990 1.00 0.00 C ATOM 861 C VAL A 52 5.721 -0.629 -3.007 1.00 0.00 C ATOM 862 O VAL A 52 4.680 -0.944 -2.431 1.00 0.00 O ATOM 863 CB VAL A 52 6.656 -2.790 -3.880 1.00 0.00 C ATOM 864 CG1 VAL A 52 6.400 -2.359 -5.317 1.00 0.00 C ATOM 865 CG2 VAL A 52 7.820 -3.767 -3.817 1.00 0.00 C ATOM 0 H VAL A 52 6.438 -2.352 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 52 7.806 -1.056 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 52 5.764 -3.293 -3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 52 6.208 -3.238 -5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.535 -1.697 -5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.274 -1.833 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.608 -4.627 -4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.728 -3.274 -4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.960 -4.101 -2.789 1.00 0.00 H new ATOM 875 N CYS A 53 5.895 0.502 -3.674 1.00 0.00 N ATOM 876 CA CYS A 53 4.842 1.500 -3.744 1.00 0.00 C ATOM 877 C CYS A 53 4.447 1.676 -5.212 1.00 0.00 C ATOM 878 O CYS A 53 5.204 1.314 -6.111 1.00 0.00 O ATOM 879 CB CYS A 53 5.269 2.822 -3.104 1.00 0.00 C ATOM 880 SG CYS A 53 6.170 2.654 -1.521 1.00 0.00 S ATOM 0 H CYS A 53 6.750 0.750 -4.171 1.00 0.00 H new ATOM 0 HA CYS A 53 3.977 1.161 -3.173 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.900 3.363 -3.809 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.381 3.432 -2.937 1.00 0.00 H new ATOM 886 N CYS A 54 3.262 2.234 -5.410 1.00 0.00 N ATOM 887 CA CYS A 54 2.806 2.572 -6.748 1.00 0.00 C ATOM 888 C CYS A 54 1.708 3.630 -6.629 1.00 0.00 C ATOM 889 O CYS A 54 0.965 3.651 -5.649 1.00 0.00 O ATOM 890 CB CYS A 54 2.328 1.335 -7.510 1.00 0.00 C ATOM 891 SG CYS A 54 1.311 0.175 -6.530 1.00 0.00 S ATOM 0 H CYS A 54 2.603 2.461 -4.665 1.00 0.00 H new ATOM 0 HA CYS A 54 3.636 2.977 -7.327 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.751 1.660 -8.376 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.199 0.801 -7.890 1.00 0.00 H new ATOM 897 N ASN A 55 1.638 4.482 -7.640 1.00 0.00 N ATOM 898 CA ASN A 55 0.966 5.761 -7.498 1.00 0.00 C ATOM 899 C ASN A 55 -0.388 5.705 -8.206 1.00 0.00 C ATOM 900 O ASN A 55 -0.854 6.707 -8.744 1.00 0.00 O ATOM 901 CB ASN A 55 1.808 6.904 -8.033 1.00 0.00 C ATOM 902 CG ASN A 55 2.120 6.791 -9.500 1.00 0.00 C ATOM 903 OD1 ASN A 55 1.874 5.755 -10.129 1.00 0.00 O ATOM 904 ND2 ASN A 55 2.734 7.819 -10.028 1.00 0.00 N ATOM 0 H ASN A 55 2.037 4.311 -8.563 1.00 0.00 H new ATOM 0 HA ASN A 55 0.812 5.952 -6.436 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.285 7.843 -7.853 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.743 6.947 -7.474 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.034 7.789 -11.002 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.913 8.651 -9.465 1.00 0.00 H new ATOM 911 N THR A 56 -0.981 4.519 -8.184 1.00 0.00 N ATOM 912 CA THR A 56 -2.295 4.330 -8.774 1.00 0.00 C ATOM 913 C THR A 56 -3.188 3.515 -7.836 1.00 0.00 C ATOM 914 O THR A 56 -2.717 2.980 -6.834 1.00 0.00 O ATOM 915 CB THR A 56 -2.206 3.622 -10.139 1.00 0.00 C ATOM 916 OG1 THR A 56 -1.543 2.361 -9.985 1.00 0.00 O ATOM 917 CG2 THR A 56 -1.437 4.478 -11.134 1.00 0.00 C ATOM 0 H THR A 56 -0.576 3.681 -7.767 1.00 0.00 H new ATOM 0 HA THR A 56 -2.729 5.318 -8.926 1.00 0.00 H new ATOM 0 HB THR A 56 -3.216 3.464 -10.516 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.489 1.912 -10.854 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.384 3.962 -12.093 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.947 5.433 -11.263 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.428 4.653 -10.760 1.00 0.00 H new ATOM 925 N ASP A 57 -4.463 3.449 -8.193 1.00 0.00 N ATOM 926 CA ASP A 57 -5.461 2.883 -7.302 1.00 0.00 C ATOM 927 C ASP A 57 -5.358 1.358 -7.332 1.00 0.00 C ATOM 928 O ASP A 57 -5.234 0.761 -8.400 1.00 0.00 O ATOM 929 CB ASP A 57 -6.867 3.339 -7.698 1.00 0.00 C ATOM 930 CG ASP A 57 -7.159 4.805 -7.403 1.00 0.00 C ATOM 931 OD1 ASP A 57 -6.985 5.210 -6.278 1.00 0.00 O ATOM 932 OD2 ASP A 57 -7.402 5.540 -8.330 1.00 0.00 O ATOM 0 H ASP A 57 -4.827 3.778 -9.087 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.274 3.236 -6.288 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.007 3.161 -8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.597 2.723 -7.173 1.00 0.00 H new ATOM 938 N ARG A 58 -5.415 0.769 -6.146 1.00 0.00 N ATOM 939 CA ARG A 58 -5.506 -0.676 -6.032 1.00 0.00 C ATOM 940 C ARG A 58 -4.380 -1.343 -6.825 1.00 0.00 C ATOM 941 O ARG A 58 -4.544 -2.456 -7.327 1.00 0.00 O ATOM 942 CB ARG A 58 -6.874 -1.200 -6.437 1.00 0.00 C ATOM 943 CG ARG A 58 -8.039 -0.625 -5.646 1.00 0.00 C ATOM 944 CD ARG A 58 -9.319 -0.564 -6.398 1.00 0.00 C ATOM 945 NE ARG A 58 -9.405 0.525 -7.357 1.00 0.00 N ATOM 946 CZ ARG A 58 -10.351 0.634 -8.309 1.00 0.00 C ATOM 947 NH1 ARG A 58 -11.270 -0.293 -8.460 1.00 0.00 N ATOM 948 NH2 ARG A 58 -10.316 1.688 -9.106 1.00 0.00 N ATOM 0 H ARG A 58 -5.400 1.267 -5.256 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.382 -0.937 -4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.031 -0.986 -7.494 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.879 -2.284 -6.327 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.186 -1.227 -4.749 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.777 0.380 -5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.461 -1.507 -6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.139 -0.470 -5.686 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.698 1.259 -7.305 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.274 -1.111 -7.851 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.979 -0.194 -9.186 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.586 2.391 -8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.019 1.798 -9.837 1.00 0.00 H new ATOM 962 N CYS A 59 -3.263 -0.637 -6.917 1.00 0.00 N ATOM 963 CA CYS A 59 -2.150 -1.098 -7.727 1.00 0.00 C ATOM 964 C CYS A 59 -1.346 -2.109 -6.906 1.00 0.00 C ATOM 965 O CYS A 59 -0.623 -2.933 -7.465 1.00 0.00 O ATOM 966 CB CYS A 59 -1.346 0.178 -7.978 1.00 0.00 C ATOM 967 SG CYS A 59 -0.580 0.885 -6.500 1.00 0.00 S ATOM 0 H CYS A 59 -3.105 0.252 -6.443 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.434 -1.590 -8.657 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.566 -0.037 -8.709 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.003 0.925 -8.424 1.00 0.00 H new ATOM 973 N ASN A 60 -1.497 -2.014 -5.593 1.00 0.00 N ATOM 974 CA ASN A 60 -0.891 -2.983 -4.697 1.00 0.00 C ATOM 975 C ASN A 60 -1.925 -4.046 -4.327 1.00 0.00 C ATOM 976 O ASN A 60 -1.572 -5.114 -3.828 1.00 0.00 O ATOM 977 CB ASN A 60 -0.416 -2.315 -3.405 1.00 0.00 C ATOM 978 CG ASN A 60 -1.594 -1.721 -2.629 1.00 0.00 C ATOM 979 OD1 ASN A 60 -2.751 -1.902 -2.973 1.00 0.00 O ATOM 980 ND2 ASN A 60 -1.237 -1.007 -1.566 1.00 0.00 N ATOM 981 OXT ASN A 60 -3.091 -3.841 -4.525 1.00 0.00 O ATOM 0 H ASN A 60 -2.031 -1.280 -5.128 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.037 -3.428 -5.209 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.102 -3.045 -2.783 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.302 -1.529 -3.640 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.950 -0.571 -0.982 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.250 -0.895 -1.335 1.00 0.00 H new