USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 434 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 49 ASN : amide:sc= -3.71! C(o=-9.2!,f=-13!) USER MOD Set 1.2: A 51 HIS : no HE2:sc= -5.54! C(o=-9.2!,f=-25!) USER MOD Set 2.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 50 THR OG1 : rot -66:sc= 0.839 USER MOD Set 3.1: A 31 GLN : amide:sc= 0.232 K(o=-1.5,f=-3.3!) USER MOD Set 3.2: A 33 TYR OH : rot 41:sc= -1.7! USER MOD Single : A 4 MET CE :methyl -150:sc= -0.289 (180deg=-1.57!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 54:sc= -8.41! USER MOD Single : A 16 TYR OH : rot -170:sc= -0.644 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -45:sc= 0.936 USER MOD Single : A 34 ASN : amide:sc= -0.425 K(o=-0.43,f=-1.2) USER MOD Single : A 35 ASN : amide:sc= -6.66! C(o=-6.7!,f=-19!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-5.5!) USER MOD Single : A 43 ASN : amide:sc= -5.86! C(o=-5.9!,f=-9.4!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 4.401 -30.267 1.582 1.00 0.00 N ATOM 42 CA MET A 4 4.832 -30.730 0.235 1.00 0.00 C ATOM 43 C MET A 4 6.307 -30.379 0.043 1.00 0.00 C ATOM 44 O MET A 4 7.026 -31.038 -0.681 1.00 0.00 O ATOM 45 CB MET A 4 3.996 -30.035 -0.843 1.00 0.00 C ATOM 46 CG MET A 4 4.222 -30.728 -2.187 1.00 0.00 C ATOM 47 SD MET A 4 3.219 -29.923 -3.461 1.00 0.00 S ATOM 48 CE MET A 4 1.598 -30.342 -2.776 1.00 0.00 C ATOM 0 HA MET A 4 4.692 -31.808 0.153 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.939 -30.069 -0.577 1.00 0.00 H new ATOM 0 HB3 MET A 4 4.274 -28.983 -0.912 1.00 0.00 H new ATOM 0 HG2 MET A 4 5.277 -30.683 -2.458 1.00 0.00 H new ATOM 0 HG3 MET A 4 3.956 -31.783 -2.113 1.00 0.00 H new ATOM 0 HE1 MET A 4 0.874 -30.436 -3.586 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.664 -31.287 -2.236 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.277 -29.556 -2.093 1.00 0.00 H new ATOM 58 N CYS A 5 6.764 -29.347 0.701 1.00 0.00 N ATOM 59 CA CYS A 5 8.193 -28.950 0.574 1.00 0.00 C ATOM 60 C CYS A 5 9.045 -29.858 1.465 1.00 0.00 C ATOM 61 O CYS A 5 10.256 -29.878 1.375 1.00 0.00 O ATOM 62 CB CYS A 5 8.360 -27.498 1.025 1.00 0.00 C ATOM 63 SG CYS A 5 7.002 -26.503 0.373 1.00 0.00 S ATOM 0 H CYS A 5 6.206 -28.761 1.322 1.00 0.00 H new ATOM 0 HA CYS A 5 8.511 -29.047 -0.464 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.374 -27.444 2.114 1.00 0.00 H new ATOM 0 HB3 CYS A 5 9.314 -27.105 0.674 1.00 0.00 H new ATOM 68 N LYS A 6 8.418 -30.607 2.333 1.00 0.00 N ATOM 69 CA LYS A 6 9.184 -31.512 3.236 1.00 0.00 C ATOM 70 C LYS A 6 10.077 -32.439 2.410 1.00 0.00 C ATOM 71 O LYS A 6 11.099 -32.905 2.872 1.00 0.00 O ATOM 72 CB LYS A 6 8.207 -32.352 4.060 1.00 0.00 C ATOM 73 CG LYS A 6 7.742 -31.545 5.271 1.00 0.00 C ATOM 74 CD LYS A 6 7.170 -32.493 6.327 1.00 0.00 C ATOM 75 CE LYS A 6 6.395 -31.685 7.369 1.00 0.00 C ATOM 76 NZ LYS A 6 7.332 -31.211 8.427 1.00 0.00 N ATOM 0 H LYS A 6 7.406 -30.630 2.455 1.00 0.00 H new ATOM 0 HA LYS A 6 9.806 -30.912 3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.351 -32.638 3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.688 -33.274 4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.576 -30.981 5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.986 -30.820 4.970 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.514 -33.225 5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.975 -33.049 6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.905 -30.835 6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.611 -32.299 7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.806 -30.661 9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.780 -32.030 8.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.065 -30.611 7.998 1.00 0.00 H new ATOM 90 N ASP A 7 9.698 -32.714 1.194 1.00 0.00 N ATOM 91 CA ASP A 7 10.529 -33.617 0.347 1.00 0.00 C ATOM 92 C ASP A 7 10.341 -33.258 -1.127 1.00 0.00 C ATOM 93 O ASP A 7 9.817 -34.034 -1.902 1.00 0.00 O ATOM 94 CB ASP A 7 10.098 -35.067 0.577 1.00 0.00 C ATOM 95 CG ASP A 7 10.597 -35.538 1.945 1.00 0.00 C ATOM 96 OD1 ASP A 7 11.735 -35.244 2.273 1.00 0.00 O ATOM 97 OD2 ASP A 7 9.832 -36.184 2.642 1.00 0.00 O ATOM 0 H ASP A 7 8.853 -32.355 0.750 1.00 0.00 H new ATOM 0 HA ASP A 7 11.579 -33.500 0.615 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.012 -35.147 0.527 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.501 -35.706 -0.209 1.00 0.00 H new ATOM 102 N TYR A 8 10.768 -32.091 -1.525 1.00 0.00 N ATOM 103 CA TYR A 8 10.614 -31.694 -2.953 1.00 0.00 C ATOM 104 C TYR A 8 11.962 -31.211 -3.498 1.00 0.00 C ATOM 105 O TYR A 8 12.909 -31.024 -2.761 1.00 0.00 O ATOM 106 CB TYR A 8 9.569 -30.571 -3.066 1.00 0.00 C ATOM 107 CG TYR A 8 10.203 -29.233 -2.754 1.00 0.00 C ATOM 108 CD1 TYR A 8 10.653 -28.957 -1.458 1.00 0.00 C ATOM 109 CD2 TYR A 8 10.344 -28.275 -3.763 1.00 0.00 C ATOM 110 CE1 TYR A 8 11.244 -27.719 -1.172 1.00 0.00 C ATOM 111 CE2 TYR A 8 10.934 -27.038 -3.478 1.00 0.00 C ATOM 112 CZ TYR A 8 11.384 -26.760 -2.182 1.00 0.00 C ATOM 113 OH TYR A 8 11.968 -25.541 -1.901 1.00 0.00 O ATOM 0 H TYR A 8 11.215 -31.397 -0.926 1.00 0.00 H new ATOM 0 HA TYR A 8 10.279 -32.552 -3.536 1.00 0.00 H new ATOM 0 HB2 TYR A 8 9.148 -30.556 -4.071 1.00 0.00 H new ATOM 0 HB3 TYR A 8 8.745 -30.760 -2.378 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.545 -29.697 -0.679 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.997 -28.490 -4.763 1.00 0.00 H new ATOM 0 HE1 TYR A 8 11.592 -27.505 -0.172 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.042 -26.298 -4.258 1.00 0.00 H new ATOM 0 HH TYR A 8 12.846 -25.686 -1.491 1.00 0.00 H new ATOM 123 N ARG A 9 12.051 -31.001 -4.781 1.00 0.00 N ATOM 124 CA ARG A 9 13.332 -30.522 -5.369 1.00 0.00 C ATOM 125 C ARG A 9 13.034 -29.572 -6.529 1.00 0.00 C ATOM 126 O ARG A 9 11.987 -29.633 -7.140 1.00 0.00 O ATOM 127 CB ARG A 9 14.143 -31.712 -5.881 1.00 0.00 C ATOM 128 CG ARG A 9 15.586 -31.268 -6.125 1.00 0.00 C ATOM 129 CD ARG A 9 16.436 -32.474 -6.526 1.00 0.00 C ATOM 130 NE ARG A 9 17.818 -32.018 -6.850 1.00 0.00 N ATOM 131 CZ ARG A 9 18.843 -32.756 -6.526 1.00 0.00 C ATOM 132 NH1 ARG A 9 18.858 -33.386 -5.384 1.00 0.00 N ATOM 133 NH2 ARG A 9 19.854 -32.863 -7.345 1.00 0.00 N ATOM 0 H ARG A 9 11.292 -31.140 -5.448 1.00 0.00 H new ATOM 0 HA ARG A 9 13.906 -29.998 -4.605 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.118 -32.524 -5.155 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.707 -32.095 -6.803 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.616 -30.513 -6.910 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.992 -30.808 -5.224 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.462 -33.201 -5.714 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.994 -32.974 -7.388 1.00 0.00 H new ATOM 0 HE ARG A 9 17.962 -31.127 -7.326 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.068 -33.301 -4.744 1.00 0.00 H new ATOM 0 HH12 ARG A 9 19.660 -33.963 -5.131 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.842 -32.369 -8.238 1.00 0.00 H new ATOM 0 HH22 ARG A 9 20.656 -33.440 -7.092 1.00 0.00 H new ATOM 147 N VAL A 10 13.946 -28.691 -6.835 1.00 0.00 N ATOM 148 CA VAL A 10 13.711 -27.737 -7.954 1.00 0.00 C ATOM 149 C VAL A 10 15.038 -27.430 -8.649 1.00 0.00 C ATOM 150 O VAL A 10 16.008 -27.054 -8.022 1.00 0.00 O ATOM 151 CB VAL A 10 13.110 -26.442 -7.401 1.00 0.00 C ATOM 152 CG1 VAL A 10 12.962 -25.423 -8.533 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.734 -26.735 -6.798 1.00 0.00 C ATOM 0 H VAL A 10 14.843 -28.591 -6.359 1.00 0.00 H new ATOM 0 HA VAL A 10 13.021 -28.180 -8.672 1.00 0.00 H new ATOM 0 HB VAL A 10 13.767 -26.038 -6.631 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.534 -24.501 -8.139 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.941 -25.213 -8.964 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.305 -25.828 -9.303 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.306 -25.813 -6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.078 -27.140 -7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.837 -27.461 -5.991 1.00 0.00 H new ATOM 163 N LEU A 11 15.087 -27.591 -9.943 1.00 0.00 N ATOM 164 CA LEU A 11 16.349 -27.313 -10.686 1.00 0.00 C ATOM 165 C LEU A 11 16.112 -26.164 -11.669 1.00 0.00 C ATOM 166 O LEU A 11 15.000 -25.709 -11.844 1.00 0.00 O ATOM 167 CB LEU A 11 16.766 -28.569 -11.455 1.00 0.00 C ATOM 168 CG LEU A 11 17.899 -29.274 -10.705 1.00 0.00 C ATOM 169 CD1 LEU A 11 17.333 -30.465 -9.931 1.00 0.00 C ATOM 170 CD2 LEU A 11 18.947 -29.768 -11.704 1.00 0.00 C ATOM 0 H LEU A 11 14.306 -27.904 -10.519 1.00 0.00 H new ATOM 0 HA LEU A 11 17.138 -27.036 -9.987 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.915 -29.241 -11.564 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.092 -28.301 -12.460 1.00 0.00 H new ATOM 0 HG LEU A 11 18.363 -28.574 -10.010 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.139 -30.968 -9.397 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.588 -30.114 -9.217 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.868 -31.163 -10.627 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.753 -30.270 -11.168 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.484 -30.467 -12.401 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.352 -28.920 -12.256 1.00 0.00 H new ATOM 182 N PRO A 12 17.182 -25.690 -12.327 1.00 0.00 N ATOM 183 CA PRO A 12 17.088 -24.594 -13.301 1.00 0.00 C ATOM 184 C PRO A 12 16.277 -25.004 -14.533 1.00 0.00 C ATOM 185 O PRO A 12 15.732 -24.176 -15.234 1.00 0.00 O ATOM 186 CB PRO A 12 18.546 -24.332 -13.685 1.00 0.00 C ATOM 187 CG PRO A 12 19.239 -25.620 -13.400 1.00 0.00 C ATOM 188 CD PRO A 12 18.563 -26.181 -12.182 1.00 0.00 C ATOM 0 HA PRO A 12 16.582 -23.719 -12.893 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.637 -24.055 -14.735 1.00 0.00 H new ATOM 0 HB3 PRO A 12 18.970 -23.515 -13.102 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.157 -26.305 -14.244 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.302 -25.462 -13.220 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.606 -27.270 -12.160 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.025 -25.825 -11.261 1.00 0.00 H new ATOM 196 N ARG A 13 16.187 -26.279 -14.794 1.00 0.00 N ATOM 197 CA ARG A 13 15.405 -26.748 -15.972 1.00 0.00 C ATOM 198 C ARG A 13 14.091 -27.362 -15.487 1.00 0.00 C ATOM 199 O ARG A 13 13.069 -27.264 -16.138 1.00 0.00 O ATOM 200 CB ARG A 13 16.210 -27.799 -16.738 1.00 0.00 C ATOM 201 CG ARG A 13 17.685 -27.394 -16.759 1.00 0.00 C ATOM 202 CD ARG A 13 18.479 -28.411 -17.582 1.00 0.00 C ATOM 203 NE ARG A 13 19.166 -29.365 -16.666 1.00 0.00 N ATOM 204 CZ ARG A 13 19.684 -30.468 -17.136 1.00 0.00 C ATOM 205 NH1 ARG A 13 19.591 -30.746 -18.409 1.00 0.00 N ATOM 206 NH2 ARG A 13 20.296 -31.294 -16.333 1.00 0.00 N ATOM 0 H ARG A 13 16.622 -27.017 -14.241 1.00 0.00 H new ATOM 0 HA ARG A 13 15.196 -25.906 -16.632 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.096 -28.775 -16.266 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.832 -27.891 -17.756 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.794 -26.398 -17.188 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.075 -27.348 -15.742 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.812 -28.952 -18.253 1.00 0.00 H new ATOM 0 HD3 ARG A 13 19.211 -27.898 -18.205 1.00 0.00 H new ATOM 0 HE ARG A 13 19.232 -29.156 -15.670 1.00 0.00 H new ATOM 0 HH11 ARG A 13 19.113 -30.101 -19.038 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.996 -31.608 -18.774 1.00 0.00 H new ATOM 0 HH21 ARG A 13 20.370 -31.078 -15.339 1.00 0.00 H new ATOM 0 HH22 ARG A 13 20.701 -32.156 -16.699 1.00 0.00 H new ATOM 220 N ILE A 14 14.110 -27.990 -14.343 1.00 0.00 N ATOM 221 CA ILE A 14 12.864 -28.607 -13.809 1.00 0.00 C ATOM 222 C ILE A 14 12.024 -27.527 -13.123 1.00 0.00 C ATOM 223 O ILE A 14 10.818 -27.486 -13.255 1.00 0.00 O ATOM 224 CB ILE A 14 13.225 -29.694 -12.793 1.00 0.00 C ATOM 225 CG1 ILE A 14 14.041 -30.788 -13.486 1.00 0.00 C ATOM 226 CG2 ILE A 14 11.944 -30.300 -12.215 1.00 0.00 C ATOM 227 CD1 ILE A 14 14.662 -31.707 -12.433 1.00 0.00 C ATOM 0 H ILE A 14 14.936 -28.102 -13.755 1.00 0.00 H new ATOM 0 HA ILE A 14 12.296 -29.052 -14.626 1.00 0.00 H new ATOM 0 HB ILE A 14 13.814 -29.257 -11.987 1.00 0.00 H new ATOM 0 HG12 ILE A 14 13.402 -31.364 -14.155 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.823 -30.340 -14.099 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.202 -31.074 -11.492 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.363 -29.521 -11.721 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.353 -30.738 -13.020 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.243 -32.486 -12.927 1.00 0.00 H new ATOM 0 HD12 ILE A 14 15.315 -31.125 -11.782 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.872 -32.166 -11.839 1.00 0.00 H new ATOM 239 N GLY A 15 12.658 -26.651 -12.394 1.00 0.00 N ATOM 240 CA GLY A 15 11.904 -25.569 -11.701 1.00 0.00 C ATOM 241 C GLY A 15 10.983 -26.180 -10.643 1.00 0.00 C ATOM 242 O GLY A 15 11.313 -27.165 -10.013 1.00 0.00 O ATOM 0 H GLY A 15 13.667 -26.638 -12.248 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.598 -24.871 -11.234 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.318 -25.001 -12.423 1.00 0.00 H new ATOM 246 N TYR A 16 9.831 -25.601 -10.442 1.00 0.00 N ATOM 247 CA TYR A 16 8.890 -26.146 -9.425 1.00 0.00 C ATOM 248 C TYR A 16 7.740 -26.869 -10.129 1.00 0.00 C ATOM 249 O TYR A 16 7.453 -26.622 -11.284 1.00 0.00 O ATOM 250 CB TYR A 16 8.330 -24.998 -8.585 1.00 0.00 C ATOM 251 CG TYR A 16 8.099 -25.472 -7.170 1.00 0.00 C ATOM 252 CD1 TYR A 16 6.982 -26.260 -6.871 1.00 0.00 C ATOM 253 CD2 TYR A 16 9.002 -25.124 -6.157 1.00 0.00 C ATOM 254 CE1 TYR A 16 6.766 -26.700 -5.559 1.00 0.00 C ATOM 255 CE2 TYR A 16 8.786 -25.564 -4.845 1.00 0.00 C ATOM 256 CZ TYR A 16 7.668 -26.352 -4.547 1.00 0.00 C ATOM 257 OH TYR A 16 7.455 -26.786 -3.255 1.00 0.00 O ATOM 0 H TYR A 16 9.501 -24.773 -10.939 1.00 0.00 H new ATOM 0 HA TYR A 16 9.419 -26.847 -8.779 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.025 -24.158 -8.589 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.395 -24.640 -9.017 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.286 -26.529 -7.652 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.865 -24.516 -6.388 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.904 -27.308 -5.328 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.482 -25.296 -4.064 1.00 0.00 H new ATOM 0 HH TYR A 16 8.076 -26.330 -2.650 1.00 0.00 H new ATOM 267 N LEU A 17 7.079 -27.761 -9.443 1.00 0.00 N ATOM 268 CA LEU A 17 5.948 -28.497 -10.072 1.00 0.00 C ATOM 269 C LEU A 17 4.665 -28.234 -9.281 1.00 0.00 C ATOM 270 O LEU A 17 4.535 -28.630 -8.140 1.00 0.00 O ATOM 271 CB LEU A 17 6.250 -29.996 -10.069 1.00 0.00 C ATOM 272 CG LEU A 17 5.107 -30.748 -10.753 1.00 0.00 C ATOM 273 CD1 LEU A 17 5.208 -30.561 -12.269 1.00 0.00 C ATOM 274 CD2 LEU A 17 5.201 -32.236 -10.413 1.00 0.00 C ATOM 0 H LEU A 17 7.274 -28.011 -8.474 1.00 0.00 H new ATOM 0 HA LEU A 17 5.819 -28.155 -11.099 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.189 -30.190 -10.588 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.372 -30.351 -9.046 1.00 0.00 H new ATOM 0 HG LEU A 17 4.152 -30.356 -10.403 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.394 -31.097 -12.757 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.140 -29.500 -12.510 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.162 -30.953 -12.621 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.387 -32.773 -10.900 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.155 -32.630 -10.763 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.128 -32.368 -9.333 1.00 0.00 H new ATOM 286 N CYS A 18 3.716 -27.568 -9.880 1.00 0.00 N ATOM 287 CA CYS A 18 2.440 -27.279 -9.166 1.00 0.00 C ATOM 288 C CYS A 18 1.262 -27.729 -10.032 1.00 0.00 C ATOM 289 O CYS A 18 1.371 -27.830 -11.238 1.00 0.00 O ATOM 290 CB CYS A 18 2.338 -25.776 -8.901 1.00 0.00 C ATOM 291 SG CYS A 18 3.787 -25.237 -7.962 1.00 0.00 S ATOM 0 H CYS A 18 3.769 -27.211 -10.834 1.00 0.00 H new ATOM 0 HA CYS A 18 2.419 -27.817 -8.218 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.278 -25.232 -9.844 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.427 -25.554 -8.346 1.00 0.00 H new ATOM 296 N PRO A 19 0.115 -28.006 -9.398 1.00 0.00 N ATOM 297 CA PRO A 19 -1.091 -28.450 -10.104 1.00 0.00 C ATOM 298 C PRO A 19 -1.718 -27.315 -10.919 1.00 0.00 C ATOM 299 O PRO A 19 -1.330 -26.168 -10.803 1.00 0.00 O ATOM 300 CB PRO A 19 -2.034 -28.871 -8.977 1.00 0.00 C ATOM 301 CG PRO A 19 -1.578 -28.089 -7.790 1.00 0.00 C ATOM 302 CD PRO A 19 -0.093 -27.905 -7.943 1.00 0.00 C ATOM 0 HA PRO A 19 -0.880 -29.247 -10.816 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.072 -28.647 -9.224 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.975 -29.943 -8.791 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.085 -27.125 -7.742 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.810 -28.617 -6.865 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.234 -26.940 -7.556 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.465 -28.670 -7.403 1.00 0.00 H new ATOM 310 N LYS A 20 -2.680 -27.621 -11.745 1.00 0.00 N ATOM 311 CA LYS A 20 -3.321 -26.556 -12.567 1.00 0.00 C ATOM 312 C LYS A 20 -4.530 -25.987 -11.820 1.00 0.00 C ATOM 313 O LYS A 20 -5.071 -24.964 -12.188 1.00 0.00 O ATOM 314 CB LYS A 20 -3.776 -27.146 -13.903 1.00 0.00 C ATOM 315 CG LYS A 20 -2.553 -27.581 -14.714 1.00 0.00 C ATOM 316 CD LYS A 20 -2.993 -27.991 -16.120 1.00 0.00 C ATOM 317 CE LYS A 20 -1.768 -28.397 -16.942 1.00 0.00 C ATOM 318 NZ LYS A 20 -1.978 -29.758 -17.509 1.00 0.00 N ATOM 0 H LYS A 20 -3.050 -28.561 -11.886 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.601 -25.758 -12.749 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.433 -27.999 -13.731 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.352 -26.408 -14.461 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.832 -26.766 -14.770 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.054 -28.415 -14.220 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.698 -28.821 -16.064 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.512 -27.164 -16.605 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.602 -27.679 -17.745 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.876 -28.386 -16.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.145 -30.034 -18.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.117 -30.439 -16.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.819 -29.753 -18.121 1.00 0.00 H new ATOM 332 N ASP A 21 -4.957 -26.640 -10.775 1.00 0.00 N ATOM 333 CA ASP A 21 -6.129 -26.129 -10.010 1.00 0.00 C ATOM 334 C ASP A 21 -5.709 -24.898 -9.205 1.00 0.00 C ATOM 335 O ASP A 21 -4.884 -24.977 -8.317 1.00 0.00 O ATOM 336 CB ASP A 21 -6.629 -27.216 -9.056 1.00 0.00 C ATOM 337 CG ASP A 21 -7.950 -26.771 -8.423 1.00 0.00 C ATOM 338 OD1 ASP A 21 -8.977 -26.956 -9.054 1.00 0.00 O ATOM 339 OD2 ASP A 21 -7.910 -26.252 -7.320 1.00 0.00 O ATOM 0 H ASP A 21 -4.547 -27.503 -10.418 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.927 -25.859 -10.701 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.769 -28.152 -9.596 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.887 -27.404 -8.280 1.00 0.00 H new ATOM 344 N LEU A 22 -6.269 -23.757 -9.508 1.00 0.00 N ATOM 345 CA LEU A 22 -5.895 -22.526 -8.758 1.00 0.00 C ATOM 346 C LEU A 22 -6.503 -22.574 -7.357 1.00 0.00 C ATOM 347 O LEU A 22 -7.693 -22.755 -7.190 1.00 0.00 O ATOM 348 CB LEU A 22 -6.420 -21.293 -9.494 1.00 0.00 C ATOM 349 CG LEU A 22 -6.107 -20.042 -8.670 1.00 0.00 C ATOM 350 CD1 LEU A 22 -4.614 -20.013 -8.338 1.00 0.00 C ATOM 351 CD2 LEU A 22 -6.476 -18.793 -9.474 1.00 0.00 C ATOM 0 H LEU A 22 -6.967 -23.626 -10.240 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.809 -22.470 -8.683 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.959 -21.219 -10.479 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.495 -21.379 -9.651 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.686 -20.061 -7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.389 -19.123 -7.751 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.352 -20.902 -7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.036 -19.994 -9.262 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.253 -17.903 -8.886 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.899 -18.772 -10.398 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.540 -18.814 -9.711 1.00 0.00 H new ATOM 363 N LYS A 23 -5.694 -22.409 -6.348 1.00 0.00 N ATOM 364 CA LYS A 23 -6.220 -22.440 -4.955 1.00 0.00 C ATOM 365 C LYS A 23 -5.523 -21.353 -4.135 1.00 0.00 C ATOM 366 O LYS A 23 -4.402 -21.517 -3.694 1.00 0.00 O ATOM 367 CB LYS A 23 -5.945 -23.816 -4.341 1.00 0.00 C ATOM 368 CG LYS A 23 -7.191 -24.688 -4.479 1.00 0.00 C ATOM 369 CD LYS A 23 -7.570 -25.259 -3.112 1.00 0.00 C ATOM 370 CE LYS A 23 -8.757 -24.478 -2.544 1.00 0.00 C ATOM 371 NZ LYS A 23 -9.940 -25.377 -2.441 1.00 0.00 N ATOM 0 H LYS A 23 -4.689 -22.254 -6.428 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.295 -22.258 -4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.099 -24.288 -4.841 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.675 -23.711 -3.290 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.016 -24.100 -4.880 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.004 -25.498 -5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.826 -26.314 -3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.721 -25.196 -2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.505 -24.077 -1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.988 -23.628 -3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.747 -24.846 -2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.184 -25.740 -3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.717 -26.174 -1.811 1.00 0.00 H new ATOM 385 N PRO A 24 -6.204 -20.214 -3.938 1.00 0.00 N ATOM 386 CA PRO A 24 -5.658 -19.075 -3.184 1.00 0.00 C ATOM 387 C PRO A 24 -5.407 -19.417 -1.715 1.00 0.00 C ATOM 388 O PRO A 24 -6.317 -19.735 -0.976 1.00 0.00 O ATOM 389 CB PRO A 24 -6.752 -18.012 -3.306 1.00 0.00 C ATOM 390 CG PRO A 24 -7.995 -18.792 -3.562 1.00 0.00 C ATOM 391 CD PRO A 24 -7.570 -19.947 -4.420 1.00 0.00 C ATOM 0 HA PRO A 24 -4.690 -18.757 -3.571 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.835 -17.420 -2.395 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.543 -17.318 -4.120 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.441 -19.138 -2.630 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.745 -18.182 -4.067 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.222 -20.811 -4.291 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.584 -19.693 -5.480 1.00 0.00 H new ATOM 399 N VAL A 25 -4.175 -19.352 -1.288 1.00 0.00 N ATOM 400 CA VAL A 25 -3.862 -19.674 0.133 1.00 0.00 C ATOM 401 C VAL A 25 -3.317 -18.433 0.838 1.00 0.00 C ATOM 402 O VAL A 25 -2.747 -17.554 0.221 1.00 0.00 O ATOM 403 CB VAL A 25 -2.793 -20.765 0.193 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.206 -21.958 -0.667 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.470 -20.198 -0.327 1.00 0.00 C ATOM 0 H VAL A 25 -3.373 -19.090 -1.861 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.775 -20.014 0.622 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.678 -21.097 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.436 -22.728 -0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.149 -22.363 -0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.328 -21.636 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.702 -20.971 -0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.597 -19.865 -1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.167 -19.354 0.293 1.00 0.00 H new ATOM 415 N CYS A 26 -3.458 -18.374 2.130 1.00 0.00 N ATOM 416 CA CYS A 26 -2.918 -17.213 2.887 1.00 0.00 C ATOM 417 C CYS A 26 -1.549 -17.608 3.443 1.00 0.00 C ATOM 418 O CYS A 26 -1.365 -18.707 3.922 1.00 0.00 O ATOM 419 CB CYS A 26 -3.863 -16.854 4.040 1.00 0.00 C ATOM 420 SG CYS A 26 -3.296 -15.331 4.835 1.00 0.00 S ATOM 0 H CYS A 26 -3.925 -19.082 2.697 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.827 -16.346 2.233 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.878 -16.725 3.665 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.893 -17.666 4.766 1.00 0.00 H new ATOM 425 N GLY A 27 -0.583 -16.737 3.369 1.00 0.00 N ATOM 426 CA GLY A 27 0.769 -17.093 3.886 1.00 0.00 C ATOM 427 C GLY A 27 0.915 -16.611 5.329 1.00 0.00 C ATOM 428 O GLY A 27 0.481 -15.532 5.682 1.00 0.00 O ATOM 0 H GLY A 27 -0.668 -15.800 2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.915 -18.172 3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.538 -16.639 3.262 1.00 0.00 H new ATOM 432 N ASP A 28 1.525 -17.405 6.166 1.00 0.00 N ATOM 433 CA ASP A 28 1.704 -16.998 7.591 1.00 0.00 C ATOM 434 C ASP A 28 2.636 -15.786 7.666 1.00 0.00 C ATOM 435 O ASP A 28 2.798 -15.179 8.706 1.00 0.00 O ATOM 436 CB ASP A 28 2.312 -18.160 8.379 1.00 0.00 C ATOM 437 CG ASP A 28 3.648 -18.558 7.752 1.00 0.00 C ATOM 438 OD1 ASP A 28 4.141 -17.808 6.925 1.00 0.00 O ATOM 439 OD2 ASP A 28 4.158 -19.608 8.109 1.00 0.00 O ATOM 0 H ASP A 28 1.908 -18.319 5.925 1.00 0.00 H new ATOM 0 HA ASP A 28 0.736 -16.735 8.018 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.459 -17.870 9.420 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.630 -19.010 8.378 1.00 0.00 H new ATOM 444 N ASP A 29 3.251 -15.428 6.571 1.00 0.00 N ATOM 445 CA ASP A 29 4.172 -14.257 6.584 1.00 0.00 C ATOM 446 C ASP A 29 3.382 -12.983 6.276 1.00 0.00 C ATOM 447 O ASP A 29 3.946 -11.946 5.986 1.00 0.00 O ATOM 448 CB ASP A 29 5.258 -14.451 5.524 1.00 0.00 C ATOM 449 CG ASP A 29 6.197 -15.578 5.957 1.00 0.00 C ATOM 450 OD1 ASP A 29 5.972 -16.136 7.018 1.00 0.00 O ATOM 451 OD2 ASP A 29 7.126 -15.864 5.219 1.00 0.00 O ATOM 0 H ASP A 29 3.155 -15.896 5.670 1.00 0.00 H new ATOM 0 HA ASP A 29 4.634 -14.170 7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.804 -14.691 4.562 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.820 -13.527 5.390 1.00 0.00 H new ATOM 456 N GLY A 30 2.080 -13.050 6.338 1.00 0.00 N ATOM 457 CA GLY A 30 1.258 -11.843 6.048 1.00 0.00 C ATOM 458 C GLY A 30 1.156 -11.646 4.535 1.00 0.00 C ATOM 459 O GLY A 30 0.970 -10.547 4.052 1.00 0.00 O ATOM 0 H GLY A 30 1.551 -13.889 6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.263 -11.956 6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.708 -10.964 6.510 1.00 0.00 H new ATOM 463 N GLN A 31 1.276 -12.705 3.781 1.00 0.00 N ATOM 464 CA GLN A 31 1.186 -12.578 2.300 1.00 0.00 C ATOM 465 C GLN A 31 0.202 -13.620 1.762 1.00 0.00 C ATOM 466 O GLN A 31 -0.296 -14.450 2.493 1.00 0.00 O ATOM 467 CB GLN A 31 2.564 -12.818 1.682 1.00 0.00 C ATOM 468 CG GLN A 31 3.428 -11.568 1.852 1.00 0.00 C ATOM 469 CD GLN A 31 4.855 -11.868 1.385 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.149 -12.970 0.966 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.758 -10.929 1.440 1.00 0.00 N ATOM 0 H GLN A 31 1.432 -13.652 4.127 1.00 0.00 H new ATOM 0 HA GLN A 31 0.840 -11.577 2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.044 -13.672 2.160 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.462 -13.061 0.624 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.011 -10.743 1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.434 -11.256 2.896 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.511 -10.004 1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.711 -11.119 1.131 1.00 0.00 H new ATOM 480 N THR A 32 -0.078 -13.584 0.488 1.00 0.00 N ATOM 481 CA THR A 32 -1.023 -14.577 -0.094 1.00 0.00 C ATOM 482 C THR A 32 -0.411 -15.179 -1.357 1.00 0.00 C ATOM 483 O THR A 32 0.398 -14.562 -2.023 1.00 0.00 O ATOM 484 CB THR A 32 -2.343 -13.889 -0.450 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.838 -13.197 0.688 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.359 -14.943 -0.892 1.00 0.00 C ATOM 0 H THR A 32 0.307 -12.910 -0.174 1.00 0.00 H new ATOM 0 HA THR A 32 -1.212 -15.365 0.636 1.00 0.00 H new ATOM 0 HB THR A 32 -2.179 -13.179 -1.261 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.759 -13.770 1.479 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.301 -14.457 -1.146 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.977 -15.473 -1.764 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.524 -15.652 -0.081 1.00 0.00 H new ATOM 494 N TYR A 33 -0.786 -16.380 -1.692 1.00 0.00 N ATOM 495 CA TYR A 33 -0.224 -17.024 -2.910 1.00 0.00 C ATOM 496 C TYR A 33 -1.365 -17.632 -3.730 1.00 0.00 C ATOM 497 O TYR A 33 -2.094 -18.482 -3.260 1.00 0.00 O ATOM 498 CB TYR A 33 0.761 -18.114 -2.488 1.00 0.00 C ATOM 499 CG TYR A 33 1.718 -17.541 -1.468 1.00 0.00 C ATOM 500 CD1 TYR A 33 2.754 -16.691 -1.878 1.00 0.00 C ATOM 501 CD2 TYR A 33 1.566 -17.851 -0.112 1.00 0.00 C ATOM 502 CE1 TYR A 33 3.635 -16.154 -0.930 1.00 0.00 C ATOM 503 CE2 TYR A 33 2.447 -17.315 0.833 1.00 0.00 C ATOM 504 CZ TYR A 33 3.481 -16.466 0.425 1.00 0.00 C ATOM 505 OH TYR A 33 4.349 -15.936 1.358 1.00 0.00 O ATOM 0 H TYR A 33 -1.459 -16.945 -1.174 1.00 0.00 H new ATOM 0 HA TYR A 33 0.298 -16.286 -3.519 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.225 -18.964 -2.066 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.310 -18.482 -3.355 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.873 -16.450 -2.924 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.767 -18.505 0.205 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.433 -15.499 -1.246 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.329 -17.557 1.879 1.00 0.00 H new ATOM 0 HH TYR A 33 4.534 -14.999 1.138 1.00 0.00 H new ATOM 515 N ASN A 34 -1.531 -17.191 -4.947 1.00 0.00 N ATOM 516 CA ASN A 34 -2.636 -17.734 -5.789 1.00 0.00 C ATOM 517 C ASN A 34 -2.701 -19.255 -5.636 1.00 0.00 C ATOM 518 O ASN A 34 -3.535 -19.776 -4.928 1.00 0.00 O ATOM 519 CB ASN A 34 -2.408 -17.366 -7.262 1.00 0.00 C ATOM 520 CG ASN A 34 -1.849 -15.947 -7.359 1.00 0.00 C ATOM 521 OD1 ASN A 34 -2.225 -15.079 -6.596 1.00 0.00 O ATOM 522 ND2 ASN A 34 -0.959 -15.673 -8.272 1.00 0.00 N ATOM 0 H ASN A 34 -0.952 -16.480 -5.394 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.580 -17.299 -5.460 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.715 -18.072 -7.720 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.346 -17.436 -7.813 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.578 -14.730 -8.346 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.644 -16.402 -8.912 1.00 0.00 H new ATOM 529 N ASN A 35 -1.831 -19.970 -6.287 1.00 0.00 N ATOM 530 CA ASN A 35 -1.848 -21.456 -6.170 1.00 0.00 C ATOM 531 C ASN A 35 -1.121 -21.871 -4.888 1.00 0.00 C ATOM 532 O ASN A 35 -0.167 -21.238 -4.478 1.00 0.00 O ATOM 533 CB ASN A 35 -1.146 -22.060 -7.390 1.00 0.00 C ATOM 534 CG ASN A 35 -0.973 -23.567 -7.200 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.230 -24.001 -6.343 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.631 -24.389 -7.971 1.00 0.00 N ATOM 0 H ASN A 35 -1.106 -19.591 -6.897 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.876 -21.817 -6.129 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.729 -21.863 -8.290 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.173 -21.589 -7.531 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.521 -25.396 -7.854 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.255 -24.024 -8.691 1.00 0.00 H new ATOM 543 N PRO A 36 -1.575 -22.958 -4.245 1.00 0.00 N ATOM 544 CA PRO A 36 -0.961 -23.460 -3.009 1.00 0.00 C ATOM 545 C PRO A 36 0.477 -23.923 -3.246 1.00 0.00 C ATOM 546 O PRO A 36 1.389 -23.515 -2.554 1.00 0.00 O ATOM 547 CB PRO A 36 -1.856 -24.638 -2.618 1.00 0.00 C ATOM 548 CG PRO A 36 -2.483 -25.060 -3.901 1.00 0.00 C ATOM 549 CD PRO A 36 -2.714 -23.790 -4.665 1.00 0.00 C ATOM 0 HA PRO A 36 -0.896 -22.696 -2.234 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.278 -25.447 -2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.607 -24.342 -1.886 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.832 -25.738 -4.453 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.419 -25.590 -3.726 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.719 -23.959 -5.742 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.669 -23.330 -4.410 1.00 0.00 H new ATOM 557 N CYS A 37 0.697 -24.752 -4.230 1.00 0.00 N ATOM 558 CA CYS A 37 2.086 -25.205 -4.509 1.00 0.00 C ATOM 559 C CYS A 37 2.918 -23.975 -4.877 1.00 0.00 C ATOM 560 O CYS A 37 4.121 -23.948 -4.704 1.00 0.00 O ATOM 561 CB CYS A 37 2.079 -26.204 -5.671 1.00 0.00 C ATOM 562 SG CYS A 37 3.758 -26.408 -6.320 1.00 0.00 S ATOM 0 H CYS A 37 -0.020 -25.132 -4.848 1.00 0.00 H new ATOM 0 HA CYS A 37 2.511 -25.697 -3.634 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.691 -27.165 -5.333 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.415 -25.852 -6.460 1.00 0.00 H new ATOM 567 N MET A 38 2.277 -22.952 -5.374 1.00 0.00 N ATOM 568 CA MET A 38 3.014 -21.715 -5.743 1.00 0.00 C ATOM 569 C MET A 38 3.529 -21.051 -4.467 1.00 0.00 C ATOM 570 O MET A 38 4.423 -20.229 -4.496 1.00 0.00 O ATOM 571 CB MET A 38 2.071 -20.757 -6.478 1.00 0.00 C ATOM 572 CG MET A 38 2.273 -20.901 -7.988 1.00 0.00 C ATOM 573 SD MET A 38 1.176 -19.751 -8.855 1.00 0.00 S ATOM 574 CE MET A 38 2.332 -18.362 -8.949 1.00 0.00 C ATOM 0 H MET A 38 1.271 -22.922 -5.540 1.00 0.00 H new ATOM 0 HA MET A 38 3.851 -21.961 -6.396 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.036 -20.976 -6.216 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.267 -19.730 -6.170 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.311 -20.696 -8.248 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.063 -21.925 -8.298 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.854 -17.525 -9.457 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.620 -18.059 -7.942 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.220 -18.664 -9.504 1.00 0.00 H new ATOM 584 N LEU A 39 2.973 -21.413 -3.342 1.00 0.00 N ATOM 585 CA LEU A 39 3.428 -20.815 -2.059 1.00 0.00 C ATOM 586 C LEU A 39 4.854 -21.290 -1.770 1.00 0.00 C ATOM 587 O LEU A 39 5.738 -20.500 -1.505 1.00 0.00 O ATOM 588 CB LEU A 39 2.493 -21.259 -0.931 1.00 0.00 C ATOM 589 CG LEU A 39 2.975 -20.671 0.395 1.00 0.00 C ATOM 590 CD1 LEU A 39 1.768 -20.342 1.277 1.00 0.00 C ATOM 591 CD2 LEU A 39 3.850 -21.694 1.112 1.00 0.00 C ATOM 0 H LEU A 39 2.222 -22.098 -3.259 1.00 0.00 H new ATOM 0 HA LEU A 39 3.412 -19.727 -2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.475 -20.929 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.470 -22.347 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 39 3.547 -19.764 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.112 -19.923 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.132 -19.617 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.199 -21.252 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.196 -21.278 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.271 -22.598 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.709 -21.939 0.488 1.00 0.00 H new ATOM 603 N CYS A 40 5.090 -22.574 -1.834 1.00 0.00 N ATOM 604 CA CYS A 40 6.465 -23.085 -1.579 1.00 0.00 C ATOM 605 C CYS A 40 7.439 -22.327 -2.479 1.00 0.00 C ATOM 606 O CYS A 40 8.475 -21.870 -2.048 1.00 0.00 O ATOM 607 CB CYS A 40 6.529 -24.579 -1.892 1.00 0.00 C ATOM 608 SG CYS A 40 7.903 -25.317 -0.984 1.00 0.00 S ATOM 0 H CYS A 40 4.393 -23.286 -2.051 1.00 0.00 H new ATOM 0 HA CYS A 40 6.730 -22.935 -0.532 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.592 -25.062 -1.613 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.661 -24.733 -2.963 1.00 0.00 H new ATOM 613 N HIS A 41 7.103 -22.174 -3.728 1.00 0.00 N ATOM 614 CA HIS A 41 8.002 -21.426 -4.646 1.00 0.00 C ATOM 615 C HIS A 41 8.388 -20.111 -3.979 1.00 0.00 C ATOM 616 O HIS A 41 9.545 -19.746 -3.912 1.00 0.00 O ATOM 617 CB HIS A 41 7.263 -21.132 -5.948 1.00 0.00 C ATOM 618 CG HIS A 41 8.252 -21.016 -7.073 1.00 0.00 C ATOM 619 ND1 HIS A 41 9.012 -22.091 -7.505 1.00 0.00 N ATOM 620 CD2 HIS A 41 8.619 -19.956 -7.866 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.789 -21.659 -8.514 1.00 0.00 C ATOM 622 NE2 HIS A 41 9.590 -20.365 -8.775 1.00 0.00 N ATOM 0 H HIS A 41 6.247 -22.533 -4.151 1.00 0.00 H new ATOM 0 HA HIS A 41 8.893 -22.015 -4.861 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.548 -21.927 -6.160 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.694 -20.207 -5.854 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.987 -23.038 -7.127 1.00 0.00 H new ATOM 0 HD2 HIS A 41 8.215 -18.957 -7.795 1.00 0.00 H new ATOM 0 HE1 HIS A 41 10.489 -22.283 -9.049 1.00 0.00 H new ATOM 630 N GLU A 42 7.418 -19.399 -3.477 1.00 0.00 N ATOM 631 CA GLU A 42 7.716 -18.111 -2.802 1.00 0.00 C ATOM 632 C GLU A 42 8.699 -18.370 -1.662 1.00 0.00 C ATOM 633 O GLU A 42 9.386 -17.478 -1.203 1.00 0.00 O ATOM 634 CB GLU A 42 6.418 -17.520 -2.252 1.00 0.00 C ATOM 635 CG GLU A 42 5.815 -16.577 -3.296 1.00 0.00 C ATOM 636 CD GLU A 42 6.827 -15.483 -3.639 1.00 0.00 C ATOM 637 OE1 GLU A 42 7.337 -14.865 -2.719 1.00 0.00 O ATOM 638 OE2 GLU A 42 7.074 -15.281 -4.816 1.00 0.00 O ATOM 0 H GLU A 42 6.431 -19.656 -3.506 1.00 0.00 H new ATOM 0 HA GLU A 42 8.156 -17.406 -3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.713 -18.317 -2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.614 -16.980 -1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.547 -17.134 -4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.897 -16.131 -2.912 1.00 0.00 H new ATOM 645 N ASN A 43 8.785 -19.594 -1.210 1.00 0.00 N ATOM 646 CA ASN A 43 9.741 -19.909 -0.110 1.00 0.00 C ATOM 647 C ASN A 43 11.142 -20.048 -0.706 1.00 0.00 C ATOM 648 O ASN A 43 12.131 -19.715 -0.084 1.00 0.00 O ATOM 649 CB ASN A 43 9.356 -21.226 0.575 1.00 0.00 C ATOM 650 CG ASN A 43 8.014 -21.072 1.297 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.958 -21.130 2.508 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.925 -20.883 0.604 1.00 0.00 N ATOM 0 H ASN A 43 8.238 -20.384 -1.553 1.00 0.00 H new ATOM 0 HA ASN A 43 9.715 -19.108 0.629 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.290 -22.024 -0.165 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.130 -21.514 1.287 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.028 -20.784 1.080 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.970 -20.834 -0.414 1.00 0.00 H new ATOM 659 N LEU A 44 11.230 -20.536 -1.915 1.00 0.00 N ATOM 660 CA LEU A 44 12.561 -20.698 -2.564 1.00 0.00 C ATOM 661 C LEU A 44 13.168 -19.319 -2.829 1.00 0.00 C ATOM 662 O LEU A 44 14.322 -19.072 -2.540 1.00 0.00 O ATOM 663 CB LEU A 44 12.392 -21.448 -3.889 1.00 0.00 C ATOM 664 CG LEU A 44 12.130 -22.929 -3.606 1.00 0.00 C ATOM 665 CD1 LEU A 44 13.279 -23.501 -2.772 1.00 0.00 C ATOM 666 CD2 LEU A 44 10.815 -23.078 -2.836 1.00 0.00 C ATOM 0 H LEU A 44 10.434 -20.830 -2.481 1.00 0.00 H new ATOM 0 HA LEU A 44 13.222 -21.265 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.564 -21.023 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.288 -21.336 -4.500 1.00 0.00 H new ATOM 0 HG LEU A 44 12.061 -23.472 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.092 -24.556 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.215 -23.397 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.350 -22.958 -1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.629 -24.133 -2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.882 -22.535 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.997 -22.672 -3.431 1.00 0.00 H new ATOM 678 N ILE A 45 12.398 -18.417 -3.373 1.00 0.00 N ATOM 679 CA ILE A 45 12.932 -17.053 -3.650 1.00 0.00 C ATOM 680 C ILE A 45 13.236 -16.356 -2.323 1.00 0.00 C ATOM 681 O ILE A 45 14.323 -15.858 -2.108 1.00 0.00 O ATOM 682 CB ILE A 45 11.891 -16.242 -4.426 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.221 -17.132 -5.476 1.00 0.00 C ATOM 684 CG2 ILE A 45 12.579 -15.061 -5.119 1.00 0.00 C ATOM 685 CD1 ILE A 45 12.289 -17.924 -6.235 1.00 0.00 C ATOM 0 H ILE A 45 11.424 -18.565 -3.637 1.00 0.00 H new ATOM 0 HA ILE A 45 13.843 -17.130 -4.243 1.00 0.00 H new ATOM 0 HB ILE A 45 11.135 -15.869 -3.735 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.521 -17.815 -4.995 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.644 -16.521 -6.171 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.839 -14.482 -5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.051 -14.425 -4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.336 -15.435 -5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.810 -18.557 -6.982 1.00 0.00 H new ATOM 0 HD12 ILE A 45 12.972 -17.233 -6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.846 -18.547 -5.535 1.00 0.00 H new ATOM 697 N ARG A 46 12.285 -16.320 -1.430 1.00 0.00 N ATOM 698 CA ARG A 46 12.525 -15.660 -0.116 1.00 0.00 C ATOM 699 C ARG A 46 13.484 -16.519 0.711 1.00 0.00 C ATOM 700 O ARG A 46 14.099 -16.054 1.650 1.00 0.00 O ATOM 701 CB ARG A 46 11.198 -15.510 0.632 1.00 0.00 C ATOM 702 CG ARG A 46 10.247 -14.637 -0.190 1.00 0.00 C ATOM 703 CD ARG A 46 8.934 -14.453 0.572 1.00 0.00 C ATOM 704 NE ARG A 46 9.191 -13.695 1.829 1.00 0.00 N ATOM 705 CZ ARG A 46 9.459 -12.417 1.782 1.00 0.00 C ATOM 706 NH1 ARG A 46 9.508 -11.798 0.633 1.00 0.00 N ATOM 707 NH2 ARG A 46 9.680 -11.758 2.886 1.00 0.00 N ATOM 0 H ARG A 46 11.354 -16.718 -1.553 1.00 0.00 H new ATOM 0 HA ARG A 46 12.962 -14.674 -0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.752 -16.490 0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.368 -15.060 1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.705 -13.667 -0.386 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.056 -15.101 -1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.214 -13.918 -0.047 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.496 -15.424 0.803 1.00 0.00 H new ATOM 0 HE ARG A 46 9.158 -14.175 2.728 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.337 -12.312 -0.231 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.717 -10.800 0.600 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.643 -12.240 3.784 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.889 -10.760 2.851 1.00 0.00 H new ATOM 721 N GLN A 47 13.614 -17.771 0.367 1.00 0.00 N ATOM 722 CA GLN A 47 14.533 -18.667 1.126 1.00 0.00 C ATOM 723 C GLN A 47 14.079 -18.752 2.586 1.00 0.00 C ATOM 724 O GLN A 47 14.884 -18.859 3.489 1.00 0.00 O ATOM 725 CB GLN A 47 15.956 -18.108 1.067 1.00 0.00 C ATOM 726 CG GLN A 47 16.434 -18.079 -0.387 1.00 0.00 C ATOM 727 CD GLN A 47 17.868 -17.549 -0.439 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.338 -16.943 0.503 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.589 -17.752 -1.509 1.00 0.00 N ATOM 0 H GLN A 47 13.122 -18.214 -0.409 1.00 0.00 H new ATOM 0 HA GLN A 47 14.514 -19.662 0.682 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.981 -17.103 1.489 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.625 -18.723 1.669 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.389 -19.080 -0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.778 -17.446 -0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.195 -18.261 -2.300 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.546 -17.402 -1.553 1.00 0.00 H new ATOM 738 N THR A 48 12.797 -18.709 2.823 1.00 0.00 N ATOM 739 CA THR A 48 12.294 -18.792 4.225 1.00 0.00 C ATOM 740 C THR A 48 11.325 -19.970 4.348 1.00 0.00 C ATOM 741 O THR A 48 11.100 -20.701 3.403 1.00 0.00 O ATOM 742 CB THR A 48 11.568 -17.494 4.587 1.00 0.00 C ATOM 743 OG1 THR A 48 10.269 -17.504 4.012 1.00 0.00 O ATOM 744 CG2 THR A 48 12.357 -16.298 4.052 1.00 0.00 C ATOM 0 H THR A 48 12.076 -18.620 2.107 1.00 0.00 H new ATOM 0 HA THR A 48 13.134 -18.938 4.904 1.00 0.00 H new ATOM 0 HB THR A 48 11.485 -17.414 5.671 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.802 -16.674 4.244 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.838 -15.375 4.311 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.353 -16.291 4.495 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.443 -16.374 2.968 1.00 0.00 H new ATOM 752 N ASN A 49 10.749 -20.161 5.503 1.00 0.00 N ATOM 753 CA ASN A 49 9.796 -21.295 5.679 1.00 0.00 C ATOM 754 C ASN A 49 8.367 -20.753 5.771 1.00 0.00 C ATOM 755 O ASN A 49 7.713 -20.872 6.788 1.00 0.00 O ATOM 756 CB ASN A 49 10.137 -22.055 6.962 1.00 0.00 C ATOM 757 CG ASN A 49 9.465 -23.429 6.931 1.00 0.00 C ATOM 758 OD1 ASN A 49 8.770 -23.756 5.991 1.00 0.00 O ATOM 759 ND2 ASN A 49 9.644 -24.252 7.928 1.00 0.00 N ATOM 0 H ASN A 49 10.896 -19.583 6.331 1.00 0.00 H new ATOM 0 HA ASN A 49 9.874 -21.969 4.826 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.217 -22.168 7.055 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.799 -21.492 7.832 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.200 -25.170 7.917 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.228 -23.977 8.718 1.00 0.00 H new ATOM 766 N THR A 50 7.879 -20.160 4.717 1.00 0.00 N ATOM 767 CA THR A 50 6.493 -19.615 4.744 1.00 0.00 C ATOM 768 C THR A 50 5.490 -20.751 4.548 1.00 0.00 C ATOM 769 O THR A 50 5.580 -21.517 3.609 1.00 0.00 O ATOM 770 CB THR A 50 6.321 -18.592 3.619 1.00 0.00 C ATOM 771 OG1 THR A 50 7.375 -17.642 3.678 1.00 0.00 O ATOM 772 CG2 THR A 50 4.976 -17.879 3.777 1.00 0.00 C ATOM 0 H THR A 50 8.380 -20.029 3.838 1.00 0.00 H new ATOM 0 HA THR A 50 6.317 -19.134 5.706 1.00 0.00 H new ATOM 0 HB THR A 50 6.348 -19.102 2.656 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.294 -17.115 4.500 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.854 -17.150 2.975 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.169 -18.610 3.729 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.946 -17.368 4.739 1.00 0.00 H new ATOM 780 N HIS A 51 4.529 -20.863 5.423 1.00 0.00 N ATOM 781 CA HIS A 51 3.517 -21.945 5.282 1.00 0.00 C ATOM 782 C HIS A 51 2.154 -21.321 4.991 1.00 0.00 C ATOM 783 O HIS A 51 2.041 -20.132 4.768 1.00 0.00 O ATOM 784 CB HIS A 51 3.437 -22.751 6.578 1.00 0.00 C ATOM 785 CG HIS A 51 4.799 -22.816 7.216 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.173 -21.973 8.250 1.00 0.00 N ATOM 787 CD2 HIS A 51 5.887 -23.619 6.975 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.436 -22.284 8.591 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.920 -23.281 7.845 1.00 0.00 N ATOM 0 H HIS A 51 4.402 -20.251 6.229 1.00 0.00 H new ATOM 0 HA HIS A 51 3.805 -22.606 4.465 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.725 -22.289 7.262 1.00 0.00 H new ATOM 0 HB3 HIS A 51 3.073 -23.757 6.371 1.00 0.00 H new ATOM 0 HD1 HIS A 51 4.595 -21.248 8.675 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.934 -24.395 6.225 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.992 -21.788 9.373 1.00 0.00 H new ATOM 797 N ILE A 52 1.117 -22.109 4.992 1.00 0.00 N ATOM 798 CA ILE A 52 -0.232 -21.550 4.717 1.00 0.00 C ATOM 799 C ILE A 52 -0.874 -21.092 6.028 1.00 0.00 C ATOM 800 O ILE A 52 -1.010 -21.853 6.965 1.00 0.00 O ATOM 801 CB ILE A 52 -1.116 -22.614 4.067 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.506 -23.039 2.729 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.507 -22.025 3.834 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.485 -23.950 1.985 1.00 0.00 C ATOM 0 H ILE A 52 1.146 -23.113 5.171 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.133 -20.701 4.040 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.188 -23.485 4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.281 -22.160 2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.436 -23.561 2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.147 -22.776 3.370 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.938 -21.720 4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.430 -21.158 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.049 -24.252 1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.688 -24.835 2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.416 -23.413 1.804 1.00 0.00 H new ATOM 816 N ARG A 53 -1.269 -19.854 6.097 1.00 0.00 N ATOM 817 CA ARG A 53 -1.906 -19.335 7.339 1.00 0.00 C ATOM 818 C ARG A 53 -3.376 -19.746 7.362 1.00 0.00 C ATOM 819 O ARG A 53 -3.910 -20.148 8.378 1.00 0.00 O ATOM 820 CB ARG A 53 -1.817 -17.809 7.347 1.00 0.00 C ATOM 821 CG ARG A 53 -2.472 -17.264 8.615 1.00 0.00 C ATOM 822 CD ARG A 53 -2.335 -15.740 8.643 1.00 0.00 C ATOM 823 NE ARG A 53 -2.863 -15.216 9.934 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.074 -15.518 10.313 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.036 -14.645 10.184 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.325 -16.693 10.823 1.00 0.00 N ATOM 0 H ARG A 53 -1.178 -19.174 5.342 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.395 -19.743 8.211 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.774 -17.495 7.301 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.312 -17.401 6.466 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.524 -17.546 8.644 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.001 -17.699 9.497 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.289 -15.456 8.524 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.882 -15.300 7.809 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.278 -14.622 10.521 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.841 -13.726 9.787 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.983 -14.882 10.481 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.574 -17.376 10.925 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.272 -16.929 11.119 1.00 0.00 H new ATOM 840 N SER A 54 -4.033 -19.637 6.245 1.00 0.00 N ATOM 841 CA SER A 54 -5.472 -20.006 6.179 1.00 0.00 C ATOM 842 C SER A 54 -5.863 -20.241 4.719 1.00 0.00 C ATOM 843 O SER A 54 -5.431 -19.534 3.830 1.00 0.00 O ATOM 844 CB SER A 54 -6.312 -18.867 6.757 1.00 0.00 C ATOM 845 OG SER A 54 -6.811 -18.060 5.701 1.00 0.00 O ATOM 0 H SER A 54 -3.632 -19.306 5.368 1.00 0.00 H new ATOM 0 HA SER A 54 -5.648 -20.915 6.755 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.139 -19.271 7.341 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.708 -18.264 7.435 1.00 0.00 H new ATOM 0 HG SER A 54 -7.350 -17.331 6.073 1.00 0.00 H new ATOM 851 N THR A 55 -6.677 -21.227 4.462 1.00 0.00 N ATOM 852 CA THR A 55 -7.091 -21.499 3.056 1.00 0.00 C ATOM 853 C THR A 55 -7.757 -20.255 2.467 1.00 0.00 C ATOM 854 O THR A 55 -8.507 -19.567 3.130 1.00 0.00 O ATOM 855 CB THR A 55 -8.080 -22.666 3.030 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.344 -22.221 3.502 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.567 -23.795 3.924 1.00 0.00 C ATOM 0 H THR A 55 -7.073 -21.855 5.162 1.00 0.00 H new ATOM 0 HA THR A 55 -6.212 -21.754 2.465 1.00 0.00 H new ATOM 0 HB THR A 55 -8.181 -23.035 2.009 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.980 -22.966 3.485 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.273 -24.625 3.904 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.597 -24.135 3.560 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.464 -23.431 4.946 1.00 0.00 H new ATOM 865 N GLY A 56 -7.490 -19.962 1.224 1.00 0.00 N ATOM 866 CA GLY A 56 -8.108 -18.765 0.589 1.00 0.00 C ATOM 867 C GLY A 56 -7.137 -17.586 0.659 1.00 0.00 C ATOM 868 O GLY A 56 -6.164 -17.609 1.385 1.00 0.00 O ATOM 0 H GLY A 56 -6.869 -20.501 0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.359 -18.981 -0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.039 -18.512 1.096 1.00 0.00 H new ATOM 872 N LYS A 57 -7.403 -16.555 -0.091 1.00 0.00 N ATOM 873 CA LYS A 57 -6.505 -15.365 -0.073 1.00 0.00 C ATOM 874 C LYS A 57 -6.603 -14.680 1.290 1.00 0.00 C ATOM 875 O LYS A 57 -7.657 -14.620 1.890 1.00 0.00 O ATOM 876 CB LYS A 57 -6.933 -14.385 -1.168 1.00 0.00 C ATOM 877 CG LYS A 57 -6.768 -15.043 -2.539 1.00 0.00 C ATOM 878 CD LYS A 57 -6.828 -13.971 -3.629 1.00 0.00 C ATOM 879 CE LYS A 57 -6.769 -14.636 -5.005 1.00 0.00 C ATOM 880 NZ LYS A 57 -8.143 -14.723 -5.574 1.00 0.00 N ATOM 0 H LYS A 57 -8.205 -16.483 -0.717 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.477 -15.680 -0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.971 -14.088 -1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.331 -13.478 -1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.817 -15.574 -2.588 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.554 -15.782 -2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.746 -13.391 -3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.998 -13.274 -3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.124 -14.062 -5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.335 -15.632 -4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.103 -15.175 -6.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.745 -15.288 -4.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.541 -13.767 -5.668 1.00 0.00 H new ATOM 894 N CYS A 58 -5.513 -14.164 1.785 1.00 0.00 N ATOM 895 CA CYS A 58 -5.548 -13.485 3.111 1.00 0.00 C ATOM 896 C CYS A 58 -6.641 -12.413 3.106 1.00 0.00 C ATOM 897 O CYS A 58 -6.938 -11.821 2.087 1.00 0.00 O ATOM 898 CB CYS A 58 -4.193 -12.833 3.386 1.00 0.00 C ATOM 899 SG CYS A 58 -2.892 -14.090 3.295 1.00 0.00 S ATOM 0 H CYS A 58 -4.600 -14.183 1.330 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.762 -14.217 3.889 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.003 -12.043 2.659 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.195 -12.366 4.371 1.00 0.00 H new ATOM 904 N GLU A 59 -7.242 -12.159 4.235 1.00 0.00 N ATOM 905 CA GLU A 59 -8.315 -11.127 4.294 1.00 0.00 C ATOM 906 C GLU A 59 -8.402 -10.561 5.713 1.00 0.00 C ATOM 907 O GLU A 59 -7.458 -9.910 6.129 1.00 0.00 O ATOM 908 CB GLU A 59 -9.655 -11.763 3.917 1.00 0.00 C ATOM 909 CG GLU A 59 -10.720 -10.671 3.781 1.00 0.00 C ATOM 910 CD GLU A 59 -12.081 -11.316 3.514 1.00 0.00 C ATOM 911 OE1 GLU A 59 -12.137 -12.533 3.458 1.00 0.00 O ATOM 912 OE2 GLU A 59 -13.045 -10.582 3.371 1.00 0.00 O ATOM 913 OXT GLU A 59 -9.411 -10.790 6.360 1.00 0.00 O ATOM 0 H GLU A 59 -7.036 -12.622 5.120 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.084 -10.323 3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.559 -12.310 2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.954 -12.484 4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.761 -10.073 4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.460 -9.994 2.967 1.00 0.00 H new