USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 507 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 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -120:sc= -0.482 (180deg=-1.69!) USER MOD Single : A 12 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.5) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0749 USER MOD Single : A 19 ASN : amide:sc= -0.0862 X(o=-0.086,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 160:sc= -0.0296 (180deg=-0.244) USER MOD Single : A 26 LYS NZ :NH3+ -119:sc= -0.0579 (180deg=-2.42!) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.926 USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.052) USER MOD Single : A 32 ASN : amide:sc= -2.22 K(o=-2.2,f=-0.51) USER MOD Single : A 33 GLN : amide:sc= -0.0957 K(o=-0.096,f=-1.9) USER MOD Single : A 39 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.0066) USER MOD Single : A 45 SER OG : rot 47:sc= 0.0665 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0447 X(o=-0.045,f=0) USER MOD Single : A 54 THR OG1 : rot 144:sc= 0.807 USER MOD Single : A 56 GLN : amide:sc= -5.63! C(o=-5.6!,f=-2.7!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -142:sc= -0.0549 (180deg=-1.58) USER MOD Single : A 64 ASN : amide:sc= -2.59 X(o=-2.6,f=-2.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.683 1.118 -0.558 1.00 0.00 N ATOM 2 CA LEU A 1 1.656 0.749 -1.580 1.00 0.00 C ATOM 3 C LEU A 1 1.114 -0.364 -2.472 1.00 0.00 C ATOM 4 O LEU A 1 0.438 -1.279 -2.000 1.00 0.00 O ATOM 5 CB LEU A 1 2.966 0.304 -0.928 1.00 0.00 C ATOM 6 CG LEU A 1 4.240 0.957 -1.466 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.462 0.576 -2.921 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.168 2.470 -1.314 1.00 0.00 C ATOM 0 H1 LEU A 1 1.074 1.877 0.036 1.00 0.00 H new ATOM 0 H2 LEU A 1 -0.190 1.451 -1.014 1.00 0.00 H new ATOM 0 H3 LEU A 1 0.470 0.290 0.034 1.00 0.00 H new ATOM 0 HA LEU A 1 1.845 1.626 -2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.903 0.505 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.058 -0.776 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 1 5.086 0.593 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 1 5.373 1.050 -3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.558 -0.507 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.614 0.911 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.083 2.919 -1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.312 2.851 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.057 2.725 -0.260 1.00 0.00 H new ATOM 20 N THR A 2 1.417 -0.281 -3.764 1.00 0.00 N ATOM 21 CA THR A 2 0.962 -1.280 -4.721 1.00 0.00 C ATOM 22 C THR A 2 2.141 -1.986 -5.381 1.00 0.00 C ATOM 23 O THR A 2 3.035 -1.342 -5.930 1.00 0.00 O ATOM 24 CB THR A 2 0.078 -0.650 -5.814 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.948 0.149 -5.214 1.00 0.00 O ATOM 26 CG2 THR A 2 -0.554 -1.725 -6.685 1.00 0.00 C ATOM 0 H THR A 2 1.976 0.469 -4.171 1.00 0.00 H new ATOM 0 HA THR A 2 0.373 -2.007 -4.162 1.00 0.00 H new ATOM 0 HB THR A 2 0.708 -0.020 -6.442 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.505 0.547 -5.915 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.174 -1.256 -7.449 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.229 -2.313 -7.163 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.171 -2.377 -6.067 1.00 0.00 H new ATOM 34 N CYS A 3 2.136 -3.314 -5.326 1.00 0.00 N ATOM 35 CA CYS A 3 3.204 -4.108 -5.919 1.00 0.00 C ATOM 36 C CYS A 3 2.638 -5.320 -6.654 1.00 0.00 C ATOM 37 O CYS A 3 1.650 -5.916 -6.222 1.00 0.00 O ATOM 38 CB CYS A 3 4.187 -4.566 -4.839 1.00 0.00 C ATOM 39 SG CYS A 3 3.393 -5.097 -3.288 1.00 0.00 S ATOM 0 H CYS A 3 1.403 -3.863 -4.876 1.00 0.00 H new ATOM 0 HA CYS A 3 3.731 -3.482 -6.639 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.782 -5.391 -5.231 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.877 -3.751 -4.621 1.00 0.00 H new ATOM 44 N LEU A 4 3.270 -5.679 -7.766 1.00 0.00 N ATOM 45 CA LEU A 4 2.830 -6.820 -8.561 1.00 0.00 C ATOM 46 C LEU A 4 3.137 -8.133 -7.847 1.00 0.00 C ATOM 47 O LEU A 4 4.109 -8.230 -7.097 1.00 0.00 O ATOM 48 CB LEU A 4 3.508 -6.802 -9.933 1.00 0.00 C ATOM 49 CG LEU A 4 3.701 -5.424 -10.567 1.00 0.00 C ATOM 50 CD1 LEU A 4 4.287 -5.558 -11.965 1.00 0.00 C ATOM 51 CD2 LEU A 4 2.382 -4.667 -10.610 1.00 0.00 C ATOM 0 H LEU A 4 4.088 -5.197 -8.137 1.00 0.00 H new ATOM 0 HA LEU A 4 1.751 -6.744 -8.694 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.485 -7.277 -9.840 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.919 -7.415 -10.615 1.00 0.00 H new ATOM 0 HG LEU A 4 4.402 -4.857 -9.954 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.418 -4.568 -12.401 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.253 -6.060 -11.908 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.611 -6.143 -12.589 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.539 -3.689 -11.064 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.659 -5.230 -11.200 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.002 -4.540 -9.596 1.00 0.00 H new ATOM 63 N ILE A 5 2.305 -9.140 -8.088 1.00 0.00 N ATOM 64 CA ILE A 5 2.490 -10.447 -7.470 1.00 0.00 C ATOM 65 C ILE A 5 1.841 -11.546 -8.305 1.00 0.00 C ATOM 66 O ILE A 5 0.720 -11.392 -8.791 1.00 0.00 O ATOM 67 CB ILE A 5 1.903 -10.485 -6.047 1.00 0.00 C ATOM 68 CG1 ILE A 5 1.820 -11.928 -5.544 1.00 0.00 C ATOM 69 CG2 ILE A 5 0.530 -9.830 -6.022 1.00 0.00 C ATOM 70 CD1 ILE A 5 1.202 -12.055 -4.170 1.00 0.00 C ATOM 0 H ILE A 5 1.496 -9.076 -8.707 1.00 0.00 H new ATOM 0 HA ILE A 5 3.565 -10.621 -7.416 1.00 0.00 H new ATOM 0 HB ILE A 5 2.563 -9.926 -5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.237 -12.518 -6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.823 -12.355 -5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.129 -9.865 -5.009 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.616 -8.792 -6.343 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.140 -10.363 -6.696 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.176 -13.105 -3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.797 -11.493 -3.450 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.187 -11.658 -4.190 1.00 0.00 H new ATOM 82 N CYS A 6 2.552 -12.657 -8.466 1.00 0.00 N ATOM 83 CA CYS A 6 2.046 -13.783 -9.241 1.00 0.00 C ATOM 84 C CYS A 6 3.129 -14.841 -9.434 1.00 0.00 C ATOM 85 O CYS A 6 4.160 -14.602 -10.064 1.00 0.00 O ATOM 86 CB CYS A 6 1.537 -13.306 -10.602 1.00 0.00 C ATOM 87 SG CYS A 6 1.260 -14.646 -11.805 1.00 0.00 S ATOM 0 H CYS A 6 3.481 -12.801 -8.070 1.00 0.00 H new ATOM 0 HA CYS A 6 1.220 -14.230 -8.688 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.603 -12.763 -10.458 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.255 -12.600 -11.019 1.00 0.00 H new ATOM 92 N PRO A 7 2.892 -16.039 -8.879 1.00 0.00 N ATOM 93 CA PRO A 7 3.834 -17.157 -8.976 1.00 0.00 C ATOM 94 C PRO A 7 3.921 -17.720 -10.391 1.00 0.00 C ATOM 95 O PRO A 7 3.181 -18.635 -10.750 1.00 0.00 O ATOM 96 CB PRO A 7 3.248 -18.200 -8.021 1.00 0.00 C ATOM 97 CG PRO A 7 1.793 -17.886 -7.965 1.00 0.00 C ATOM 98 CD PRO A 7 1.684 -16.394 -8.114 1.00 0.00 C ATOM 0 HA PRO A 7 4.851 -16.855 -8.727 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.421 -19.212 -8.386 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.706 -18.134 -7.034 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.253 -18.398 -8.761 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.359 -18.216 -7.021 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.775 -16.108 -8.643 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.660 -15.894 -7.146 1.00 0.00 H new ATOM 106 N GLU A 8 4.830 -17.168 -11.188 1.00 0.00 N ATOM 107 CA GLU A 8 5.013 -17.616 -12.564 1.00 0.00 C ATOM 108 C GLU A 8 6.177 -16.884 -13.225 1.00 0.00 C ATOM 109 O GLU A 8 6.561 -15.794 -12.801 1.00 0.00 O ATOM 110 CB GLU A 8 3.731 -17.394 -13.370 1.00 0.00 C ATOM 111 CG GLU A 8 2.948 -18.669 -13.632 1.00 0.00 C ATOM 112 CD GLU A 8 2.326 -18.698 -15.015 1.00 0.00 C ATOM 113 OE1 GLU A 8 1.700 -17.689 -15.404 1.00 0.00 O ATOM 114 OE2 GLU A 8 2.463 -19.728 -15.707 1.00 0.00 O ATOM 0 H GLU A 8 5.451 -16.410 -10.905 1.00 0.00 H new ATOM 0 HA GLU A 8 5.242 -18.682 -12.545 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.093 -16.690 -12.836 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.987 -16.932 -14.324 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.610 -19.527 -13.517 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.163 -18.769 -12.882 1.00 0.00 H new ATOM 121 N LYS A 9 6.735 -17.491 -14.267 1.00 0.00 N ATOM 122 CA LYS A 9 7.854 -16.898 -14.989 1.00 0.00 C ATOM 123 C LYS A 9 7.419 -15.635 -15.725 1.00 0.00 C ATOM 124 O LYS A 9 8.131 -14.630 -15.727 1.00 0.00 O ATOM 125 CB LYS A 9 8.437 -17.905 -15.983 1.00 0.00 C ATOM 126 CG LYS A 9 7.402 -18.505 -16.919 1.00 0.00 C ATOM 127 CD LYS A 9 7.599 -20.003 -17.082 1.00 0.00 C ATOM 128 CE LYS A 9 7.284 -20.750 -15.795 1.00 0.00 C ATOM 129 NZ LYS A 9 5.859 -20.590 -15.395 1.00 0.00 N ATOM 0 H LYS A 9 6.430 -18.394 -14.630 1.00 0.00 H new ATOM 0 HA LYS A 9 8.620 -16.628 -14.263 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.208 -17.413 -16.575 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.924 -18.708 -15.430 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.402 -18.309 -16.531 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.467 -18.020 -17.893 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.958 -20.370 -17.883 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.628 -20.206 -17.379 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.508 -21.809 -15.926 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.929 -20.384 -14.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.810 -20.143 -14.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.368 -19.992 -16.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.402 -21.523 -15.358 1.00 0.00 H new ATOM 143 N ASP A 10 6.247 -15.693 -16.348 1.00 0.00 N ATOM 144 CA ASP A 10 5.717 -14.552 -17.085 1.00 0.00 C ATOM 145 C ASP A 10 4.295 -14.228 -16.635 1.00 0.00 C ATOM 146 O ASP A 10 3.323 -14.663 -17.253 1.00 0.00 O ATOM 147 CB ASP A 10 5.737 -14.835 -18.588 1.00 0.00 C ATOM 148 CG ASP A 10 5.226 -13.664 -19.404 1.00 0.00 C ATOM 149 OD1 ASP A 10 5.704 -12.532 -19.183 1.00 0.00 O ATOM 150 OD2 ASP A 10 4.348 -13.881 -20.266 1.00 0.00 O ATOM 0 H ASP A 10 5.646 -16.517 -16.357 1.00 0.00 H new ATOM 0 HA ASP A 10 6.351 -13.690 -16.877 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.755 -15.072 -18.897 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.127 -15.714 -18.798 1.00 0.00 H new ATOM 155 N CYS A 11 4.182 -13.462 -15.555 1.00 0.00 N ATOM 156 CA CYS A 11 2.881 -13.080 -15.021 1.00 0.00 C ATOM 157 C CYS A 11 3.037 -12.181 -13.798 1.00 0.00 C ATOM 158 O CYS A 11 3.903 -12.411 -12.954 1.00 0.00 O ATOM 159 CB CYS A 11 2.072 -14.326 -14.651 1.00 0.00 C ATOM 160 SG CYS A 11 0.647 -13.993 -13.567 1.00 0.00 S ATOM 0 H CYS A 11 4.977 -13.094 -15.032 1.00 0.00 H new ATOM 0 HA CYS A 11 2.349 -12.525 -15.793 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.716 -14.800 -15.566 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.731 -15.041 -14.158 1.00 0.00 H new ATOM 165 N GLN A 12 2.193 -11.158 -13.710 1.00 0.00 N ATOM 166 CA GLN A 12 2.238 -10.225 -12.591 1.00 0.00 C ATOM 167 C GLN A 12 0.856 -9.643 -12.312 1.00 0.00 C ATOM 168 O GLN A 12 0.190 -9.136 -13.214 1.00 0.00 O ATOM 169 CB GLN A 12 3.231 -9.097 -12.880 1.00 0.00 C ATOM 170 CG GLN A 12 3.429 -8.826 -14.362 1.00 0.00 C ATOM 171 CD GLN A 12 2.143 -8.432 -15.061 1.00 0.00 C ATOM 172 OE1 GLN A 12 1.552 -9.226 -15.793 1.00 0.00 O ATOM 173 NE2 GLN A 12 1.702 -7.199 -14.838 1.00 0.00 N ATOM 0 H GLN A 12 1.470 -10.955 -14.400 1.00 0.00 H new ATOM 0 HA GLN A 12 2.567 -10.772 -11.707 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.883 -8.185 -12.396 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.193 -9.348 -12.433 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.164 -8.031 -14.487 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.839 -9.717 -14.839 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.224 -6.574 -14.224 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.841 -6.877 -15.281 1.00 0.00 H new ATOM 182 N LYS A 13 0.431 -9.720 -11.055 1.00 0.00 N ATOM 183 CA LYS A 13 -0.872 -9.200 -10.655 1.00 0.00 C ATOM 184 C LYS A 13 -0.725 -8.152 -9.557 1.00 0.00 C ATOM 185 O LYS A 13 -0.327 -8.465 -8.435 1.00 0.00 O ATOM 186 CB LYS A 13 -1.771 -10.339 -10.170 1.00 0.00 C ATOM 187 CG LYS A 13 -3.092 -10.430 -10.914 1.00 0.00 C ATOM 188 CD LYS A 13 -2.885 -10.771 -12.380 1.00 0.00 C ATOM 189 CE LYS A 13 -2.733 -12.270 -12.587 1.00 0.00 C ATOM 190 NZ LYS A 13 -3.482 -12.744 -13.783 1.00 0.00 N ATOM 0 H LYS A 13 0.970 -10.137 -10.296 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.330 -8.729 -11.524 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.237 -11.283 -10.278 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.971 -10.205 -9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.721 -11.189 -10.449 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.623 -9.482 -10.832 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.731 -10.406 -12.963 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.997 -10.259 -12.752 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.677 -12.516 -12.699 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.091 -12.797 -11.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.353 -13.770 -13.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.493 -12.533 -13.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.124 -12.260 -14.631 1.00 0.00 H new ATOM 204 N VAL A 14 -1.050 -6.906 -9.887 1.00 0.00 N ATOM 205 CA VAL A 14 -0.957 -5.812 -8.929 1.00 0.00 C ATOM 206 C VAL A 14 -1.685 -6.153 -7.633 1.00 0.00 C ATOM 207 O VAL A 14 -2.798 -6.679 -7.654 1.00 0.00 O ATOM 208 CB VAL A 14 -1.542 -4.509 -9.505 1.00 0.00 C ATOM 209 CG1 VAL A 14 -0.783 -4.089 -10.755 1.00 0.00 C ATOM 210 CG2 VAL A 14 -3.024 -4.677 -9.804 1.00 0.00 C ATOM 0 H VAL A 14 -1.380 -6.630 -10.812 1.00 0.00 H new ATOM 0 HA VAL A 14 0.103 -5.664 -8.720 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.431 -3.721 -8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.211 -3.167 -11.148 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.266 -3.926 -10.506 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.859 -4.874 -11.508 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.421 -3.747 -10.210 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.160 -5.478 -10.531 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.554 -4.927 -8.885 1.00 0.00 H new ATOM 220 N HIS A 15 -1.049 -5.850 -6.506 1.00 0.00 N ATOM 221 CA HIS A 15 -1.637 -6.123 -5.199 1.00 0.00 C ATOM 222 C HIS A 15 -1.172 -5.098 -4.169 1.00 0.00 C ATOM 223 O HIS A 15 0.026 -4.859 -4.011 1.00 0.00 O ATOM 224 CB HIS A 15 -1.268 -7.533 -4.736 1.00 0.00 C ATOM 225 CG HIS A 15 -1.675 -7.824 -3.324 1.00 0.00 C ATOM 226 ND1 HIS A 15 -0.780 -7.859 -2.275 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.889 -8.095 -2.790 1.00 0.00 C ATOM 228 CE1 HIS A 15 -1.427 -8.139 -1.157 1.00 0.00 C ATOM 229 NE2 HIS A 15 -2.708 -8.287 -1.443 1.00 0.00 N ATOM 0 H HIS A 15 -0.127 -5.416 -6.471 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.721 -6.051 -5.293 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.739 -8.259 -5.398 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.190 -7.667 -4.830 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.826 -8.150 -3.324 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.984 -8.231 -0.176 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.443 -8.508 -0.772 1.00 0.00 H new ATOM 237 N THR A 16 -2.127 -4.493 -3.470 1.00 0.00 N ATOM 238 CA THR A 16 -1.816 -3.493 -2.457 1.00 0.00 C ATOM 239 C THR A 16 -1.363 -4.148 -1.158 1.00 0.00 C ATOM 240 O THR A 16 -2.082 -4.960 -0.576 1.00 0.00 O ATOM 241 CB THR A 16 -3.030 -2.591 -2.167 1.00 0.00 C ATOM 242 OG1 THR A 16 -4.070 -2.847 -3.118 1.00 0.00 O ATOM 243 CG2 THR A 16 -2.638 -1.122 -2.220 1.00 0.00 C ATOM 0 H THR A 16 -3.123 -4.679 -3.587 1.00 0.00 H new ATOM 0 HA THR A 16 -1.005 -2.883 -2.855 1.00 0.00 H new ATOM 0 HB THR A 16 -3.392 -2.818 -1.164 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.839 -2.271 -2.925 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.512 -0.505 -2.012 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.868 -0.924 -1.475 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.253 -0.884 -3.212 1.00 0.00 H new ATOM 251 N CYS A 17 -0.165 -3.791 -0.707 1.00 0.00 N ATOM 252 CA CYS A 17 0.386 -4.344 0.525 1.00 0.00 C ATOM 253 C CYS A 17 -0.419 -3.882 1.736 1.00 0.00 C ATOM 254 O CYS A 17 -0.843 -2.729 1.809 1.00 0.00 O ATOM 255 CB CYS A 17 1.850 -3.932 0.684 1.00 0.00 C ATOM 256 SG CYS A 17 2.821 -5.035 1.761 1.00 0.00 S ATOM 0 H CYS A 17 0.443 -3.121 -1.177 1.00 0.00 H new ATOM 0 HA CYS A 17 0.327 -5.431 0.464 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.316 -3.901 -0.301 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.890 -2.920 1.088 1.00 0.00 H new ATOM 261 N ARG A 18 -0.625 -4.790 2.684 1.00 0.00 N ATOM 262 CA ARG A 18 -1.380 -4.477 3.891 1.00 0.00 C ATOM 263 C ARG A 18 -0.773 -3.278 4.615 1.00 0.00 C ATOM 264 O ARG A 18 0.259 -2.750 4.204 1.00 0.00 O ATOM 265 CB ARG A 18 -1.414 -5.687 4.826 1.00 0.00 C ATOM 266 CG ARG A 18 -1.951 -6.949 4.170 1.00 0.00 C ATOM 267 CD ARG A 18 -1.887 -8.139 5.114 1.00 0.00 C ATOM 268 NE ARG A 18 -2.932 -9.119 4.832 1.00 0.00 N ATOM 269 CZ ARG A 18 -2.925 -10.359 5.308 1.00 0.00 C ATOM 270 NH1 ARG A 18 -1.932 -10.768 6.086 1.00 0.00 N ATOM 271 NH2 ARG A 18 -3.912 -11.193 5.006 1.00 0.00 N ATOM 0 H ARG A 18 -0.279 -5.749 2.639 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.399 -4.226 3.597 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.406 -5.880 5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.030 -5.448 5.693 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.982 -6.787 3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.375 -7.166 3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.911 -8.616 5.030 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.984 -7.791 6.142 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.710 -8.836 4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.171 -10.130 6.320 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.929 -11.721 6.450 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.677 -10.882 4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.905 -12.145 5.372 1.00 0.00 H new ATOM 285 N ASN A 19 -1.422 -2.855 5.695 1.00 0.00 N ATOM 286 CA ASN A 19 -0.947 -1.719 6.476 1.00 0.00 C ATOM 287 C ASN A 19 0.312 -2.084 7.257 1.00 0.00 C ATOM 288 O ASN A 19 1.306 -1.359 7.224 1.00 0.00 O ATOM 289 CB ASN A 19 -2.038 -1.243 7.438 1.00 0.00 C ATOM 290 CG ASN A 19 -1.944 0.242 7.729 1.00 0.00 C ATOM 291 OD1 ASN A 19 -1.772 0.652 8.877 1.00 0.00 O ATOM 292 ND2 ASN A 19 -2.057 1.058 6.687 1.00 0.00 N ATOM 0 H ASN A 19 -2.278 -3.282 6.049 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.703 -0.912 5.786 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.016 -1.466 7.012 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.963 -1.799 8.372 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.002 2.068 6.822 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.199 0.675 5.752 1.00 0.00 H new ATOM 299 N GLU A 20 0.261 -3.212 7.958 1.00 0.00 N ATOM 300 CA GLU A 20 1.397 -3.672 8.748 1.00 0.00 C ATOM 301 C GLU A 20 2.662 -3.732 7.897 1.00 0.00 C ATOM 302 O GLU A 20 3.723 -3.266 8.311 1.00 0.00 O ATOM 303 CB GLU A 20 1.106 -5.050 9.346 1.00 0.00 C ATOM 304 CG GLU A 20 0.129 -5.014 10.510 1.00 0.00 C ATOM 305 CD GLU A 20 0.330 -6.166 11.475 1.00 0.00 C ATOM 306 OE1 GLU A 20 1.378 -6.195 12.154 1.00 0.00 O ATOM 307 OE2 GLU A 20 -0.560 -7.039 11.552 1.00 0.00 O ATOM 0 H GLU A 20 -0.554 -3.824 7.995 1.00 0.00 H new ATOM 0 HA GLU A 20 1.557 -2.959 9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.706 -5.698 8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.042 -5.496 9.682 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.243 -4.072 11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.890 -5.041 10.125 1.00 0.00 H new ATOM 314 N GLU A 21 2.540 -4.309 6.705 1.00 0.00 N ATOM 315 CA GLU A 21 3.674 -4.432 5.797 1.00 0.00 C ATOM 316 C GLU A 21 3.736 -3.243 4.841 1.00 0.00 C ATOM 317 O GLU A 21 2.838 -2.401 4.820 1.00 0.00 O ATOM 318 CB GLU A 21 3.580 -5.735 5.001 1.00 0.00 C ATOM 319 CG GLU A 21 3.669 -6.983 5.864 1.00 0.00 C ATOM 320 CD GLU A 21 2.347 -7.334 6.519 1.00 0.00 C ATOM 321 OE1 GLU A 21 1.352 -7.515 5.786 1.00 0.00 O ATOM 322 OE2 GLU A 21 2.307 -7.428 7.763 1.00 0.00 O ATOM 0 H GLU A 21 1.668 -4.698 6.346 1.00 0.00 H new ATOM 0 HA GLU A 21 4.585 -4.445 6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.638 -5.749 4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.380 -5.757 4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.001 -7.821 5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.424 -6.834 6.636 1.00 0.00 H new ATOM 329 N LYS A 22 4.803 -3.181 4.052 1.00 0.00 N ATOM 330 CA LYS A 22 4.984 -2.098 3.093 1.00 0.00 C ATOM 331 C LYS A 22 5.729 -2.587 1.855 1.00 0.00 C ATOM 332 O LYS A 22 5.357 -2.261 0.727 1.00 0.00 O ATOM 333 CB LYS A 22 5.750 -0.941 3.738 1.00 0.00 C ATOM 334 CG LYS A 22 4.882 -0.044 4.604 1.00 0.00 C ATOM 335 CD LYS A 22 5.710 1.004 5.328 1.00 0.00 C ATOM 336 CE LYS A 22 5.837 2.278 4.507 1.00 0.00 C ATOM 337 NZ LYS A 22 4.547 3.018 4.428 1.00 0.00 N ATOM 0 H LYS A 22 5.556 -3.869 4.058 1.00 0.00 H new ATOM 0 HA LYS A 22 3.998 -1.748 2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.559 -1.346 4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.211 -0.340 2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.133 0.448 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.344 -0.651 5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.249 1.233 6.289 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.702 0.604 5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.598 2.921 4.950 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.175 2.030 3.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.730 4.009 4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.939 2.580 3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.070 2.983 5.351 1.00 0.00 H new ATOM 351 N ILE A 23 6.780 -3.370 2.073 1.00 0.00 N ATOM 352 CA ILE A 23 7.574 -3.905 0.974 1.00 0.00 C ATOM 353 C ILE A 23 7.036 -5.256 0.514 1.00 0.00 C ATOM 354 O ILE A 23 6.259 -5.900 1.219 1.00 0.00 O ATOM 355 CB ILE A 23 9.053 -4.063 1.373 1.00 0.00 C ATOM 356 CG1 ILE A 23 9.185 -5.021 2.558 1.00 0.00 C ATOM 357 CG2 ILE A 23 9.658 -2.708 1.710 1.00 0.00 C ATOM 358 CD1 ILE A 23 10.541 -5.684 2.651 1.00 0.00 C ATOM 0 H ILE A 23 7.101 -3.648 3.000 1.00 0.00 H new ATOM 0 HA ILE A 23 7.502 -3.190 0.155 1.00 0.00 H new ATOM 0 HB ILE A 23 9.599 -4.483 0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.993 -4.473 3.481 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.418 -5.791 2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.704 -2.836 1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.593 -2.054 0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.112 -2.262 2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.562 -6.349 3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.727 -6.260 1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.312 -4.921 2.761 1.00 0.00 H new ATOM 370 N CYS A 24 7.456 -5.681 -0.673 1.00 0.00 N ATOM 371 CA CYS A 24 7.019 -6.956 -1.229 1.00 0.00 C ATOM 372 C CYS A 24 8.207 -7.755 -1.756 1.00 0.00 C ATOM 373 O CYS A 24 8.998 -7.256 -2.557 1.00 0.00 O ATOM 374 CB CYS A 24 6.005 -6.726 -2.351 1.00 0.00 C ATOM 375 SG CYS A 24 4.685 -5.544 -1.931 1.00 0.00 S ATOM 0 H CYS A 24 8.099 -5.160 -1.269 1.00 0.00 H new ATOM 0 HA CYS A 24 6.544 -7.528 -0.432 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.532 -6.366 -3.234 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.552 -7.681 -2.617 1.00 0.00 H new ATOM 380 N VAL A 25 8.325 -8.999 -1.302 1.00 0.00 N ATOM 381 CA VAL A 25 9.415 -9.868 -1.729 1.00 0.00 C ATOM 382 C VAL A 25 8.905 -11.266 -2.062 1.00 0.00 C ATOM 383 O VAL A 25 7.949 -11.751 -1.457 1.00 0.00 O ATOM 384 CB VAL A 25 10.504 -9.976 -0.645 1.00 0.00 C ATOM 385 CG1 VAL A 25 9.902 -10.438 0.673 1.00 0.00 C ATOM 386 CG2 VAL A 25 11.611 -10.918 -1.095 1.00 0.00 C ATOM 0 H VAL A 25 7.679 -9.427 -0.639 1.00 0.00 H new ATOM 0 HA VAL A 25 9.846 -9.419 -2.624 1.00 0.00 H new ATOM 0 HB VAL A 25 10.939 -8.988 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.686 -10.508 1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.148 -9.722 1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.439 -11.416 0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.372 -10.983 -0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.194 -11.908 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.061 -10.539 -2.012 1.00 0.00 H new ATOM 396 N LYS A 26 9.549 -11.910 -3.030 1.00 0.00 N ATOM 397 CA LYS A 26 9.163 -13.253 -3.444 1.00 0.00 C ATOM 398 C LYS A 26 10.389 -14.146 -3.605 1.00 0.00 C ATOM 399 O LYS A 26 11.460 -13.681 -3.996 1.00 0.00 O ATOM 400 CB LYS A 26 8.382 -13.199 -4.758 1.00 0.00 C ATOM 401 CG LYS A 26 8.302 -14.537 -5.474 1.00 0.00 C ATOM 402 CD LYS A 26 7.349 -14.481 -6.656 1.00 0.00 C ATOM 403 CE LYS A 26 8.095 -14.279 -7.965 1.00 0.00 C ATOM 404 NZ LYS A 26 7.165 -14.026 -9.101 1.00 0.00 N ATOM 0 H LYS A 26 10.341 -11.523 -3.542 1.00 0.00 H new ATOM 0 HA LYS A 26 8.526 -13.677 -2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.372 -12.844 -4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.850 -12.470 -5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.295 -14.826 -5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.972 -15.305 -4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.772 -15.405 -6.704 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.637 -13.668 -6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.783 -13.439 -7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.698 -15.161 -8.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.277 -14.774 -9.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.185 -14.024 -8.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.383 -13.104 -9.529 1.00 0.00 H new ATOM 418 N ARG A 27 10.225 -15.430 -3.303 1.00 0.00 N ATOM 419 CA ARG A 27 11.319 -16.387 -3.415 1.00 0.00 C ATOM 420 C ARG A 27 10.877 -17.629 -4.184 1.00 0.00 C ATOM 421 O ARG A 27 9.772 -18.135 -3.986 1.00 0.00 O ATOM 422 CB ARG A 27 11.821 -16.786 -2.026 1.00 0.00 C ATOM 423 CG ARG A 27 11.907 -15.622 -1.053 1.00 0.00 C ATOM 424 CD ARG A 27 12.552 -16.039 0.259 1.00 0.00 C ATOM 425 NE ARG A 27 11.616 -16.746 1.129 1.00 0.00 N ATOM 426 CZ ARG A 27 10.590 -16.160 1.736 1.00 0.00 C ATOM 427 NH1 ARG A 27 10.369 -14.863 1.568 1.00 0.00 N ATOM 428 NH2 ARG A 27 9.782 -16.870 2.512 1.00 0.00 N ATOM 0 H ARG A 27 9.345 -15.831 -2.979 1.00 0.00 H new ATOM 0 HA ARG A 27 12.131 -15.910 -3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.157 -17.546 -1.613 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.806 -17.242 -2.122 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.483 -14.813 -1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.907 -15.233 -0.861 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.410 -16.679 0.054 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.929 -15.156 0.774 1.00 0.00 H new ATOM 0 HE ARG A 27 11.758 -17.745 1.279 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.988 -14.313 0.972 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.580 -14.415 2.035 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.948 -17.868 2.644 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.995 -16.418 2.977 1.00 0.00 H new ATOM 442 N PHE A 28 11.748 -18.116 -5.062 1.00 0.00 N ATOM 443 CA PHE A 28 11.448 -19.298 -5.862 1.00 0.00 C ATOM 444 C PHE A 28 12.673 -20.200 -5.979 1.00 0.00 C ATOM 445 O PHE A 28 13.805 -19.756 -5.791 1.00 0.00 O ATOM 446 CB PHE A 28 10.967 -18.888 -7.255 1.00 0.00 C ATOM 447 CG PHE A 28 12.022 -18.204 -8.077 1.00 0.00 C ATOM 448 CD1 PHE A 28 12.930 -18.944 -8.818 1.00 0.00 C ATOM 449 CD2 PHE A 28 12.107 -16.822 -8.108 1.00 0.00 C ATOM 450 CE1 PHE A 28 13.902 -18.318 -9.575 1.00 0.00 C ATOM 451 CE2 PHE A 28 13.076 -16.190 -8.863 1.00 0.00 C ATOM 452 CZ PHE A 28 13.976 -16.939 -9.597 1.00 0.00 C ATOM 0 H PHE A 28 12.667 -17.710 -5.238 1.00 0.00 H new ATOM 0 HA PHE A 28 10.656 -19.854 -5.361 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.622 -19.775 -7.787 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.109 -18.223 -7.153 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.877 -20.023 -8.804 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.407 -16.231 -7.535 1.00 0.00 H new ATOM 0 HE1 PHE A 28 14.603 -18.906 -10.149 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.130 -15.111 -8.880 1.00 0.00 H new ATOM 0 HZ PHE A 28 14.736 -16.447 -10.187 1.00 0.00 H new ATOM 462 N TYR A 29 12.437 -21.470 -6.291 1.00 0.00 N ATOM 463 CA TYR A 29 13.519 -22.437 -6.431 1.00 0.00 C ATOM 464 C TYR A 29 13.315 -23.309 -7.666 1.00 0.00 C ATOM 465 O TYR A 29 12.215 -23.803 -7.915 1.00 0.00 O ATOM 466 CB TYR A 29 13.611 -23.315 -5.182 1.00 0.00 C ATOM 467 CG TYR A 29 15.010 -23.809 -4.890 1.00 0.00 C ATOM 468 CD1 TYR A 29 15.619 -24.754 -5.706 1.00 0.00 C ATOM 469 CD2 TYR A 29 15.723 -23.329 -3.798 1.00 0.00 C ATOM 470 CE1 TYR A 29 16.897 -25.208 -5.443 1.00 0.00 C ATOM 471 CE2 TYR A 29 17.002 -23.776 -3.528 1.00 0.00 C ATOM 472 CZ TYR A 29 17.584 -24.716 -4.353 1.00 0.00 C ATOM 473 OH TYR A 29 18.858 -25.165 -4.087 1.00 0.00 O ATOM 0 H TYR A 29 11.506 -21.853 -6.452 1.00 0.00 H new ATOM 0 HA TYR A 29 14.452 -21.885 -6.549 1.00 0.00 H new ATOM 0 HB2 TYR A 29 13.248 -22.750 -4.324 1.00 0.00 H new ATOM 0 HB3 TYR A 29 12.950 -24.173 -5.302 1.00 0.00 H new ATOM 0 HD1 TYR A 29 15.084 -25.141 -6.561 1.00 0.00 H new ATOM 0 HD2 TYR A 29 15.270 -22.594 -3.149 1.00 0.00 H new ATOM 0 HE1 TYR A 29 17.355 -25.944 -6.087 1.00 0.00 H new ATOM 0 HE2 TYR A 29 17.543 -23.392 -2.676 1.00 0.00 H new ATOM 0 HH TYR A 29 19.299 -25.413 -4.926 1.00 0.00 H new ATOM 483 N ASP A 30 14.382 -23.493 -8.435 1.00 0.00 N ATOM 484 CA ASP A 30 14.322 -24.306 -9.644 1.00 0.00 C ATOM 485 C ASP A 30 15.683 -24.925 -9.950 1.00 0.00 C ATOM 486 O ASP A 30 16.625 -24.225 -10.323 1.00 0.00 O ATOM 487 CB ASP A 30 13.853 -23.462 -10.829 1.00 0.00 C ATOM 488 CG ASP A 30 13.394 -22.079 -10.410 1.00 0.00 C ATOM 489 OD1 ASP A 30 12.266 -21.962 -9.887 1.00 0.00 O ATOM 490 OD2 ASP A 30 14.162 -21.114 -10.606 1.00 0.00 O ATOM 0 H ASP A 30 15.299 -23.090 -8.243 1.00 0.00 H new ATOM 0 HA ASP A 30 13.606 -25.111 -9.476 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.666 -23.369 -11.549 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.035 -23.975 -11.336 1.00 0.00 H new ATOM 495 N LYS A 31 15.779 -26.240 -9.790 1.00 0.00 N ATOM 496 CA LYS A 31 17.023 -26.954 -10.049 1.00 0.00 C ATOM 497 C LYS A 31 16.756 -28.264 -10.784 1.00 0.00 C ATOM 498 O LYS A 31 17.586 -29.172 -10.775 1.00 0.00 O ATOM 499 CB LYS A 31 17.758 -27.235 -8.736 1.00 0.00 C ATOM 500 CG LYS A 31 19.250 -26.962 -8.803 1.00 0.00 C ATOM 501 CD LYS A 31 20.044 -28.244 -8.989 1.00 0.00 C ATOM 502 CE LYS A 31 21.443 -28.123 -8.405 1.00 0.00 C ATOM 503 NZ LYS A 31 21.431 -28.189 -6.917 1.00 0.00 N ATOM 0 H LYS A 31 15.009 -26.834 -9.482 1.00 0.00 H new ATOM 0 HA LYS A 31 17.649 -26.324 -10.681 1.00 0.00 H new ATOM 0 HB2 LYS A 31 17.321 -26.624 -7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 31 17.600 -28.277 -8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 31 19.459 -26.281 -9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.571 -26.464 -7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 31 19.519 -29.071 -8.511 1.00 0.00 H new ATOM 0 HD3 LYS A 31 20.111 -28.481 -10.051 1.00 0.00 H new ATOM 0 HE2 LYS A 31 22.071 -28.922 -8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 31 21.889 -27.181 -8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 22.403 -28.308 -6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 21.030 -27.309 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 20.852 -28.996 -6.610 1.00 0.00 H new ATOM 517 N ASN A 32 15.593 -28.353 -11.420 1.00 0.00 N ATOM 518 CA ASN A 32 15.217 -29.552 -12.162 1.00 0.00 C ATOM 519 C ASN A 32 13.875 -29.361 -12.861 1.00 0.00 C ATOM 520 O ASN A 32 13.157 -28.398 -12.593 1.00 0.00 O ATOM 521 CB ASN A 32 15.149 -30.757 -11.222 1.00 0.00 C ATOM 522 CG ASN A 32 14.761 -30.367 -9.808 1.00 0.00 C ATOM 523 OD1 ASN A 32 15.438 -30.726 -8.845 1.00 0.00 O ATOM 524 ND2 ASN A 32 13.665 -29.628 -9.679 1.00 0.00 N ATOM 0 H ASN A 32 14.894 -27.610 -11.437 1.00 0.00 H new ATOM 0 HA ASN A 32 15.978 -29.734 -12.921 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.427 -31.476 -11.609 1.00 0.00 H new ATOM 0 HB3 ASN A 32 16.118 -31.256 -11.205 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.354 -29.335 -8.753 1.00 0.00 H new ATOM 0 HD22 ASN A 32 13.135 -29.354 -10.506 1.00 0.00 H new ATOM 531 N GLN A 33 13.543 -30.285 -13.756 1.00 0.00 N ATOM 532 CA GLN A 33 12.287 -30.218 -14.493 1.00 0.00 C ATOM 533 C GLN A 33 11.107 -30.045 -13.543 1.00 0.00 C ATOM 534 O GLN A 33 10.202 -29.249 -13.798 1.00 0.00 O ATOM 535 CB GLN A 33 12.098 -31.480 -15.336 1.00 0.00 C ATOM 536 CG GLN A 33 12.688 -31.374 -16.733 1.00 0.00 C ATOM 537 CD GLN A 33 11.876 -30.473 -17.642 1.00 0.00 C ATOM 538 OE1 GLN A 33 10.946 -29.798 -17.198 1.00 0.00 O ATOM 539 NE2 GLN A 33 12.223 -30.456 -18.924 1.00 0.00 N ATOM 0 H GLN A 33 14.126 -31.089 -13.988 1.00 0.00 H new ATOM 0 HA GLN A 33 12.328 -29.352 -15.153 1.00 0.00 H new ATOM 0 HB2 GLN A 33 12.557 -32.323 -14.820 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.033 -31.697 -15.416 1.00 0.00 H new ATOM 0 HG2 GLN A 33 13.707 -30.992 -16.665 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.749 -32.369 -17.174 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.000 -31.031 -19.250 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.712 -29.868 -19.583 1.00 0.00 H new ATOM 548 N LEU A 34 11.121 -30.796 -12.447 1.00 0.00 N ATOM 549 CA LEU A 34 10.052 -30.726 -11.458 1.00 0.00 C ATOM 550 C LEU A 34 10.552 -30.104 -10.158 1.00 0.00 C ATOM 551 O LEU A 34 11.189 -30.770 -9.344 1.00 0.00 O ATOM 552 CB LEU A 34 9.490 -32.122 -11.185 1.00 0.00 C ATOM 553 CG LEU A 34 8.281 -32.535 -12.024 1.00 0.00 C ATOM 554 CD1 LEU A 34 7.074 -31.677 -11.680 1.00 0.00 C ATOM 555 CD2 LEU A 34 8.602 -32.436 -13.508 1.00 0.00 C ATOM 0 H LEU A 34 11.861 -31.460 -12.221 1.00 0.00 H new ATOM 0 HA LEU A 34 9.260 -30.094 -11.860 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.285 -32.850 -11.347 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.214 -32.181 -10.132 1.00 0.00 H new ATOM 0 HG LEU A 34 8.041 -33.573 -11.793 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.223 -31.986 -12.287 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.830 -31.799 -10.625 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.302 -30.630 -11.881 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.730 -32.734 -14.090 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.869 -31.408 -13.755 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.438 -33.095 -13.744 1.00 0.00 H new ATOM 567 N GLY A 35 10.256 -28.821 -9.970 1.00 0.00 N ATOM 568 CA GLY A 35 10.682 -28.131 -8.766 1.00 0.00 C ATOM 569 C GLY A 35 10.465 -26.633 -8.849 1.00 0.00 C ATOM 570 O GLY A 35 10.306 -25.964 -7.828 1.00 0.00 O ATOM 0 H GLY A 35 9.729 -28.248 -10.629 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.135 -28.527 -7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.739 -28.333 -8.590 1.00 0.00 H new ATOM 574 N TRP A 36 10.459 -26.104 -10.068 1.00 0.00 N ATOM 575 CA TRP A 36 10.262 -24.675 -10.280 1.00 0.00 C ATOM 576 C TRP A 36 9.018 -24.183 -9.548 1.00 0.00 C ATOM 577 O TRP A 36 7.894 -24.394 -10.003 1.00 0.00 O ATOM 578 CB TRP A 36 10.142 -24.372 -11.775 1.00 0.00 C ATOM 579 CG TRP A 36 10.068 -22.907 -12.080 1.00 0.00 C ATOM 580 CD1 TRP A 36 9.040 -22.058 -11.782 1.00 0.00 C ATOM 581 CD2 TRP A 36 11.062 -22.118 -12.743 1.00 0.00 C ATOM 582 NE1 TRP A 36 9.334 -20.790 -12.221 1.00 0.00 N ATOM 583 CE2 TRP A 36 10.570 -20.800 -12.813 1.00 0.00 C ATOM 584 CE3 TRP A 36 12.320 -22.397 -13.283 1.00 0.00 C ATOM 585 CZ2 TRP A 36 11.292 -19.766 -13.402 1.00 0.00 C ATOM 586 CZ3 TRP A 36 13.036 -21.369 -13.868 1.00 0.00 C ATOM 587 CH2 TRP A 36 12.522 -20.067 -13.923 1.00 0.00 C ATOM 0 H TRP A 36 10.588 -26.643 -10.924 1.00 0.00 H new ATOM 0 HA TRP A 36 11.129 -24.150 -9.878 1.00 0.00 H new ATOM 0 HB2 TRP A 36 10.998 -24.801 -12.295 1.00 0.00 H new ATOM 0 HB3 TRP A 36 9.252 -24.863 -12.168 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.129 -22.342 -11.275 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.730 -19.974 -12.122 1.00 0.00 H new ATOM 0 HE3 TRP A 36 12.726 -23.397 -13.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.896 -18.762 -13.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 14.009 -21.573 -14.290 1.00 0.00 H new ATOM 0 HH2 TRP A 36 13.107 -19.286 -14.385 1.00 0.00 H new ATOM 598 N ARG A 37 9.227 -23.526 -8.412 1.00 0.00 N ATOM 599 CA ARG A 37 8.122 -23.004 -7.616 1.00 0.00 C ATOM 600 C ARG A 37 8.466 -21.634 -7.039 1.00 0.00 C ATOM 601 O ARG A 37 9.590 -21.402 -6.594 1.00 0.00 O ATOM 602 CB ARG A 37 7.777 -23.974 -6.485 1.00 0.00 C ATOM 603 CG ARG A 37 7.201 -25.295 -6.969 1.00 0.00 C ATOM 604 CD ARG A 37 5.681 -25.285 -6.934 1.00 0.00 C ATOM 605 NE ARG A 37 5.166 -25.081 -5.583 1.00 0.00 N ATOM 606 CZ ARG A 37 3.935 -24.656 -5.322 1.00 0.00 C ATOM 607 NH1 ARG A 37 3.097 -24.392 -6.315 1.00 0.00 N ATOM 608 NH2 ARG A 37 3.539 -24.494 -4.066 1.00 0.00 N ATOM 0 H ARG A 37 10.151 -23.342 -8.022 1.00 0.00 H new ATOM 0 HA ARG A 37 7.256 -22.896 -8.270 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.676 -24.172 -5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.060 -23.498 -5.816 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.541 -25.491 -7.986 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.575 -26.107 -6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.309 -24.496 -7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.303 -26.229 -7.327 1.00 0.00 H new ATOM 0 HE ARG A 37 5.786 -25.276 -4.796 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.397 -24.515 -7.282 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.152 -24.066 -6.112 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.180 -24.696 -3.299 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.593 -24.168 -3.868 1.00 0.00 H new ATOM 622 N ALA A 38 7.492 -20.731 -7.051 1.00 0.00 N ATOM 623 CA ALA A 38 7.691 -19.385 -6.527 1.00 0.00 C ATOM 624 C ALA A 38 6.681 -19.067 -5.431 1.00 0.00 C ATOM 625 O ALA A 38 5.609 -19.669 -5.369 1.00 0.00 O ATOM 626 CB ALA A 38 7.594 -18.362 -7.650 1.00 0.00 C ATOM 0 H ALA A 38 6.557 -20.907 -7.418 1.00 0.00 H new ATOM 0 HA ALA A 38 8.688 -19.336 -6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.744 -17.361 -7.245 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.359 -18.569 -8.398 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.609 -18.422 -8.112 1.00 0.00 H new ATOM 632 N GLN A 39 7.030 -18.119 -4.567 1.00 0.00 N ATOM 633 CA GLN A 39 6.153 -17.723 -3.472 1.00 0.00 C ATOM 634 C GLN A 39 6.394 -16.270 -3.079 1.00 0.00 C ATOM 635 O GLN A 39 7.477 -15.914 -2.612 1.00 0.00 O ATOM 636 CB GLN A 39 6.370 -18.634 -2.262 1.00 0.00 C ATOM 637 CG GLN A 39 5.079 -19.075 -1.593 1.00 0.00 C ATOM 638 CD GLN A 39 4.560 -18.057 -0.596 1.00 0.00 C ATOM 639 OE1 GLN A 39 3.441 -17.559 -0.724 1.00 0.00 O ATOM 640 NE2 GLN A 39 5.374 -17.741 0.405 1.00 0.00 N ATOM 0 H GLN A 39 7.914 -17.611 -4.604 1.00 0.00 H new ATOM 0 HA GLN A 39 5.122 -17.821 -3.812 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.926 -19.517 -2.578 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.988 -18.112 -1.531 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.320 -19.250 -2.356 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.244 -20.025 -1.084 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.293 -18.178 0.472 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.080 -17.061 1.106 1.00 0.00 H new ATOM 649 N ARG A 40 5.380 -15.433 -3.272 1.00 0.00 N ATOM 650 CA ARG A 40 5.483 -14.017 -2.939 1.00 0.00 C ATOM 651 C ARG A 40 4.972 -13.752 -1.526 1.00 0.00 C ATOM 652 O ARG A 40 4.248 -14.566 -0.954 1.00 0.00 O ATOM 653 CB ARG A 40 4.693 -13.177 -3.944 1.00 0.00 C ATOM 654 CG ARG A 40 5.152 -11.730 -4.022 1.00 0.00 C ATOM 655 CD ARG A 40 5.219 -11.243 -5.461 1.00 0.00 C ATOM 656 NE ARG A 40 6.594 -11.037 -5.906 1.00 0.00 N ATOM 657 CZ ARG A 40 6.973 -11.105 -7.178 1.00 0.00 C ATOM 658 NH1 ARG A 40 6.084 -11.371 -8.124 1.00 0.00 N ATOM 659 NH2 ARG A 40 8.244 -10.906 -7.504 1.00 0.00 N ATOM 0 H ARG A 40 4.477 -15.711 -3.657 1.00 0.00 H new ATOM 0 HA ARG A 40 6.535 -13.734 -2.985 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.780 -13.631 -4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.637 -13.200 -3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.468 -11.099 -3.455 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.134 -11.633 -3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.732 -11.969 -6.112 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.664 -10.309 -5.554 1.00 0.00 H new ATOM 0 HE ARG A 40 7.303 -10.830 -5.202 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.106 -11.524 -7.877 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.377 -11.423 -9.100 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.931 -10.701 -6.778 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.534 -10.958 -8.480 1.00 0.00 H new ATOM 673 N GLY A 41 5.355 -12.608 -0.969 1.00 0.00 N ATOM 674 CA GLY A 41 4.927 -12.256 0.373 1.00 0.00 C ATOM 675 C GLY A 41 5.304 -10.837 0.748 1.00 0.00 C ATOM 676 O GLY A 41 6.365 -10.345 0.362 1.00 0.00 O ATOM 0 H GLY A 41 5.954 -11.918 -1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.846 -12.374 0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.374 -12.948 1.087 1.00 0.00 H new ATOM 680 N CYS A 42 4.432 -10.175 1.502 1.00 0.00 N ATOM 681 CA CYS A 42 4.677 -8.802 1.928 1.00 0.00 C ATOM 682 C CYS A 42 5.505 -8.770 3.209 1.00 0.00 C ATOM 683 O CYS A 42 5.662 -9.786 3.885 1.00 0.00 O ATOM 684 CB CYS A 42 3.351 -8.070 2.146 1.00 0.00 C ATOM 685 SG CYS A 42 2.972 -6.823 0.873 1.00 0.00 S ATOM 0 H CYS A 42 3.550 -10.567 1.830 1.00 0.00 H new ATOM 0 HA CYS A 42 5.238 -8.298 1.141 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.544 -8.802 2.173 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.373 -7.583 3.121 1.00 0.00 H new ATOM 690 N ALA A 43 6.034 -7.595 3.536 1.00 0.00 N ATOM 691 CA ALA A 43 6.844 -7.429 4.736 1.00 0.00 C ATOM 692 C ALA A 43 7.295 -5.981 4.898 1.00 0.00 C ATOM 693 O ALA A 43 6.810 -5.088 4.204 1.00 0.00 O ATOM 694 CB ALA A 43 8.049 -8.357 4.692 1.00 0.00 C ATOM 0 H ALA A 43 5.916 -6.744 2.986 1.00 0.00 H new ATOM 0 HA ALA A 43 6.230 -7.690 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.645 -8.222 5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.710 -9.391 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.657 -8.123 3.818 1.00 0.00 H new ATOM 700 N VAL A 44 8.226 -5.756 5.820 1.00 0.00 N ATOM 701 CA VAL A 44 8.742 -4.416 6.073 1.00 0.00 C ATOM 702 C VAL A 44 10.267 -4.405 6.070 1.00 0.00 C ATOM 703 O VAL A 44 10.891 -3.379 6.340 1.00 0.00 O ATOM 704 CB VAL A 44 8.239 -3.866 7.421 1.00 0.00 C ATOM 705 CG1 VAL A 44 6.824 -3.326 7.282 1.00 0.00 C ATOM 706 CG2 VAL A 44 8.305 -4.943 8.494 1.00 0.00 C ATOM 0 H VAL A 44 8.638 -6.484 6.404 1.00 0.00 H new ATOM 0 HA VAL A 44 8.375 -3.778 5.269 1.00 0.00 H new ATOM 0 HB VAL A 44 8.888 -3.044 7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.485 -2.942 8.244 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.812 -2.522 6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.159 -4.126 6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.946 -4.537 9.440 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.681 -5.787 8.201 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.336 -5.277 8.611 1.00 0.00 H new ATOM 716 N SER A 45 10.861 -5.554 5.762 1.00 0.00 N ATOM 717 CA SER A 45 12.313 -5.678 5.726 1.00 0.00 C ATOM 718 C SER A 45 12.739 -6.812 4.798 1.00 0.00 C ATOM 719 O SER A 45 12.328 -7.960 4.973 1.00 0.00 O ATOM 720 CB SER A 45 12.860 -5.923 7.134 1.00 0.00 C ATOM 721 OG SER A 45 12.130 -6.943 7.794 1.00 0.00 O ATOM 0 H SER A 45 10.359 -6.412 5.534 1.00 0.00 H new ATOM 0 HA SER A 45 12.723 -4.744 5.342 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.912 -6.204 7.075 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.808 -5.001 7.713 1.00 0.00 H new ATOM 0 HG SER A 45 12.022 -7.709 7.193 1.00 0.00 H new ATOM 727 N CYS A 46 13.565 -6.482 3.811 1.00 0.00 N ATOM 728 CA CYS A 46 14.047 -7.470 2.854 1.00 0.00 C ATOM 729 C CYS A 46 14.721 -8.637 3.570 1.00 0.00 C ATOM 730 O CYS A 46 15.798 -8.503 4.151 1.00 0.00 O ATOM 731 CB CYS A 46 15.028 -6.824 1.874 1.00 0.00 C ATOM 732 SG CYS A 46 15.454 -7.875 0.448 1.00 0.00 S ATOM 0 H CYS A 46 13.915 -5.537 3.653 1.00 0.00 H new ATOM 0 HA CYS A 46 13.189 -7.852 2.301 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.599 -5.891 1.509 1.00 0.00 H new ATOM 0 HB3 CYS A 46 15.943 -6.567 2.408 1.00 0.00 H new ATOM 737 N PRO A 47 14.072 -9.810 3.529 1.00 0.00 N ATOM 738 CA PRO A 47 14.589 -11.024 4.168 1.00 0.00 C ATOM 739 C PRO A 47 15.824 -11.570 3.460 1.00 0.00 C ATOM 740 O PRO A 47 16.338 -10.958 2.523 1.00 0.00 O ATOM 741 CB PRO A 47 13.425 -12.011 4.050 1.00 0.00 C ATOM 742 CG PRO A 47 12.647 -11.540 2.870 1.00 0.00 C ATOM 743 CD PRO A 47 12.783 -10.042 2.855 1.00 0.00 C ATOM 0 HA PRO A 47 14.907 -10.840 5.194 1.00 0.00 H new ATOM 0 HB2 PRO A 47 13.783 -13.030 3.907 1.00 0.00 H new ATOM 0 HB3 PRO A 47 12.814 -12.012 4.952 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.033 -11.976 1.949 1.00 0.00 H new ATOM 0 HG3 PRO A 47 11.601 -11.836 2.949 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.785 -9.649 1.838 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.961 -9.558 3.383 1.00 0.00 H new ATOM 751 N LYS A 48 16.297 -12.727 3.912 1.00 0.00 N ATOM 752 CA LYS A 48 17.471 -13.358 3.322 1.00 0.00 C ATOM 753 C LYS A 48 17.162 -14.788 2.891 1.00 0.00 C ATOM 754 O LYS A 48 16.112 -15.334 3.229 1.00 0.00 O ATOM 755 CB LYS A 48 18.633 -13.354 4.317 1.00 0.00 C ATOM 756 CG LYS A 48 18.209 -13.634 5.749 1.00 0.00 C ATOM 757 CD LYS A 48 17.663 -15.043 5.903 1.00 0.00 C ATOM 758 CE LYS A 48 17.765 -15.526 7.341 1.00 0.00 C ATOM 759 NZ LYS A 48 17.121 -16.856 7.527 1.00 0.00 N ATOM 0 H LYS A 48 15.884 -13.247 4.686 1.00 0.00 H new ATOM 0 HA LYS A 48 17.755 -12.785 2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.365 -14.101 4.011 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.131 -12.385 4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.061 -13.498 6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.450 -12.913 6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.621 -15.068 5.583 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.213 -15.721 5.250 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.814 -15.587 7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.294 -14.799 8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.212 -17.150 8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.114 -16.792 7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.587 -17.556 6.915 1.00 0.00 H new ATOM 773 N ALA A 49 18.082 -15.389 2.145 1.00 0.00 N ATOM 774 CA ALA A 49 17.909 -16.756 1.671 1.00 0.00 C ATOM 775 C ALA A 49 19.252 -17.397 1.338 1.00 0.00 C ATOM 776 O ALA A 49 20.308 -16.809 1.575 1.00 0.00 O ATOM 777 CB ALA A 49 16.993 -16.782 0.457 1.00 0.00 C ATOM 0 H ALA A 49 18.956 -14.950 1.855 1.00 0.00 H new ATOM 0 HA ALA A 49 17.449 -17.336 2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.873 -17.810 0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.019 -16.373 0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 49 17.430 -16.182 -0.341 1.00 0.00 H new ATOM 783 N LYS A 50 19.206 -18.605 0.786 1.00 0.00 N ATOM 784 CA LYS A 50 20.418 -19.326 0.419 1.00 0.00 C ATOM 785 C LYS A 50 20.911 -18.895 -0.959 1.00 0.00 C ATOM 786 O LYS A 50 20.168 -18.331 -1.762 1.00 0.00 O ATOM 787 CB LYS A 50 20.163 -20.834 0.432 1.00 0.00 C ATOM 788 CG LYS A 50 20.398 -21.480 1.787 1.00 0.00 C ATOM 789 CD LYS A 50 20.432 -22.995 1.684 1.00 0.00 C ATOM 790 CE LYS A 50 19.050 -23.565 1.404 1.00 0.00 C ATOM 791 NZ LYS A 50 19.011 -25.043 1.586 1.00 0.00 N ATOM 0 H LYS A 50 18.341 -19.105 0.583 1.00 0.00 H new ATOM 0 HA LYS A 50 21.188 -19.088 1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.135 -21.023 0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.810 -21.310 -0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 50 21.339 -21.122 2.204 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.609 -21.179 2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.117 -23.292 0.890 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.819 -23.415 2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.323 -23.098 2.069 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.755 -23.317 0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.052 -25.392 1.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.686 -25.491 0.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.268 -25.279 2.566 1.00 0.00 H new ATOM 805 N PRO A 51 22.194 -19.166 -1.241 1.00 0.00 N ATOM 806 CA PRO A 51 22.814 -18.816 -2.522 1.00 0.00 C ATOM 807 C PRO A 51 22.280 -19.661 -3.674 1.00 0.00 C ATOM 808 O PRO A 51 22.493 -19.339 -4.842 1.00 0.00 O ATOM 809 CB PRO A 51 24.299 -19.107 -2.289 1.00 0.00 C ATOM 810 CG PRO A 51 24.319 -20.136 -1.212 1.00 0.00 C ATOM 811 CD PRO A 51 23.138 -19.836 -0.331 1.00 0.00 C ATOM 0 HA PRO A 51 22.607 -17.784 -2.806 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.778 -19.475 -3.197 1.00 0.00 H new ATOM 0 HB3 PRO A 51 24.836 -18.208 -1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 51 24.249 -21.140 -1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 51 25.250 -20.091 -0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 51 22.711 -20.745 0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 51 23.414 -19.194 0.506 1.00 0.00 H new ATOM 819 N ASN A 52 21.586 -20.743 -3.336 1.00 0.00 N ATOM 820 CA ASN A 52 21.021 -21.634 -4.343 1.00 0.00 C ATOM 821 C ASN A 52 19.665 -21.125 -4.822 1.00 0.00 C ATOM 822 O ASN A 52 19.411 -21.042 -6.023 1.00 0.00 O ATOM 823 CB ASN A 52 20.877 -23.049 -3.779 1.00 0.00 C ATOM 824 CG ASN A 52 22.175 -23.574 -3.196 1.00 0.00 C ATOM 825 OD1 ASN A 52 23.009 -24.130 -3.911 1.00 0.00 O ATOM 826 ND2 ASN A 52 22.351 -23.400 -1.892 1.00 0.00 N ATOM 0 H ASN A 52 21.401 -21.024 -2.373 1.00 0.00 H new ATOM 0 HA ASN A 52 21.701 -21.657 -5.194 1.00 0.00 H new ATOM 0 HB2 ASN A 52 20.107 -23.053 -3.007 1.00 0.00 H new ATOM 0 HB3 ASN A 52 20.539 -23.720 -4.569 1.00 0.00 H new ATOM 0 HD21 ASN A 52 23.205 -23.733 -1.444 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.633 -22.933 -1.338 1.00 0.00 H new ATOM 833 N GLU A 53 18.798 -20.784 -3.873 1.00 0.00 N ATOM 834 CA GLU A 53 17.468 -20.283 -4.198 1.00 0.00 C ATOM 835 C GLU A 53 17.539 -18.850 -4.717 1.00 0.00 C ATOM 836 O GLU A 53 18.615 -18.256 -4.791 1.00 0.00 O ATOM 837 CB GLU A 53 16.560 -20.348 -2.968 1.00 0.00 C ATOM 838 CG GLU A 53 16.855 -19.271 -1.937 1.00 0.00 C ATOM 839 CD GLU A 53 16.275 -19.596 -0.574 1.00 0.00 C ATOM 840 OE1 GLU A 53 16.962 -20.278 0.215 1.00 0.00 O ATOM 841 OE2 GLU A 53 15.135 -19.167 -0.296 1.00 0.00 O ATOM 0 H GLU A 53 18.993 -20.846 -2.874 1.00 0.00 H new ATOM 0 HA GLU A 53 17.051 -20.915 -4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.522 -20.259 -3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.666 -21.327 -2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.934 -19.144 -1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.449 -18.320 -2.283 1.00 0.00 H new ATOM 848 N THR A 54 16.383 -18.300 -5.078 1.00 0.00 N ATOM 849 CA THR A 54 16.313 -16.938 -5.592 1.00 0.00 C ATOM 850 C THR A 54 15.298 -16.108 -4.814 1.00 0.00 C ATOM 851 O THR A 54 14.220 -16.592 -4.468 1.00 0.00 O ATOM 852 CB THR A 54 15.936 -16.920 -7.085 1.00 0.00 C ATOM 853 OG1 THR A 54 16.496 -18.061 -7.745 1.00 0.00 O ATOM 854 CG2 THR A 54 16.433 -15.647 -7.753 1.00 0.00 C ATOM 0 H THR A 54 15.483 -18.777 -5.024 1.00 0.00 H new ATOM 0 HA THR A 54 17.305 -16.503 -5.469 1.00 0.00 H new ATOM 0 HB THR A 54 14.849 -16.952 -7.163 1.00 0.00 H new ATOM 0 HG1 THR A 54 15.874 -18.380 -8.432 1.00 0.00 H new ATOM 0 HG21 THR A 54 16.155 -15.657 -8.807 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.983 -14.781 -7.267 1.00 0.00 H new ATOM 0 HG23 THR A 54 17.518 -15.589 -7.664 1.00 0.00 H new ATOM 862 N VAL A 55 15.649 -14.855 -4.541 1.00 0.00 N ATOM 863 CA VAL A 55 14.767 -13.957 -3.805 1.00 0.00 C ATOM 864 C VAL A 55 14.818 -12.546 -4.378 1.00 0.00 C ATOM 865 O VAL A 55 15.895 -12.012 -4.642 1.00 0.00 O ATOM 866 CB VAL A 55 15.138 -13.907 -2.311 1.00 0.00 C ATOM 867 CG1 VAL A 55 14.245 -12.922 -1.572 1.00 0.00 C ATOM 868 CG2 VAL A 55 15.044 -15.293 -1.692 1.00 0.00 C ATOM 0 H VAL A 55 16.538 -14.439 -4.819 1.00 0.00 H new ATOM 0 HA VAL A 55 13.756 -14.351 -3.908 1.00 0.00 H new ATOM 0 HB VAL A 55 16.169 -13.564 -2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.522 -12.900 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.368 -11.927 -2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.204 -13.232 -1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 55 15.310 -15.239 -0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 55 14.025 -15.667 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.730 -15.968 -2.204 1.00 0.00 H new ATOM 878 N GLN A 56 13.646 -11.947 -4.567 1.00 0.00 N ATOM 879 CA GLN A 56 13.558 -10.596 -5.109 1.00 0.00 C ATOM 880 C GLN A 56 12.633 -9.729 -4.262 1.00 0.00 C ATOM 881 O GLN A 56 11.421 -9.946 -4.226 1.00 0.00 O ATOM 882 CB GLN A 56 13.057 -10.636 -6.554 1.00 0.00 C ATOM 883 CG GLN A 56 13.843 -11.585 -7.444 1.00 0.00 C ATOM 884 CD GLN A 56 13.301 -13.001 -7.410 1.00 0.00 C ATOM 885 OE1 GLN A 56 12.184 -13.261 -7.857 1.00 0.00 O ATOM 886 NE2 GLN A 56 14.092 -13.925 -6.879 1.00 0.00 N ATOM 0 H GLN A 56 12.745 -12.376 -4.353 1.00 0.00 H new ATOM 0 HA GLN A 56 14.556 -10.158 -5.089 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.008 -10.932 -6.558 1.00 0.00 H new ATOM 0 HB3 GLN A 56 13.106 -9.632 -6.975 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.822 -11.216 -8.470 1.00 0.00 H new ATOM 0 HG3 GLN A 56 14.887 -11.592 -7.129 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.011 -13.665 -6.520 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.781 -14.895 -6.830 1.00 0.00 H new ATOM 895 N CYS A 57 13.212 -8.746 -3.580 1.00 0.00 N ATOM 896 CA CYS A 57 12.440 -7.846 -2.731 1.00 0.00 C ATOM 897 C CYS A 57 12.403 -6.440 -3.323 1.00 0.00 C ATOM 898 O CYS A 57 13.340 -6.013 -3.998 1.00 0.00 O ATOM 899 CB CYS A 57 13.037 -7.803 -1.323 1.00 0.00 C ATOM 900 SG CYS A 57 14.608 -6.887 -1.209 1.00 0.00 S ATOM 0 H CYS A 57 14.213 -8.552 -3.599 1.00 0.00 H new ATOM 0 HA CYS A 57 11.420 -8.225 -2.674 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.313 -7.348 -0.647 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.198 -8.824 -0.977 1.00 0.00 H new ATOM 905 N CYS A 58 11.313 -5.724 -3.065 1.00 0.00 N ATOM 906 CA CYS A 58 11.151 -4.367 -3.570 1.00 0.00 C ATOM 907 C CYS A 58 10.479 -3.475 -2.530 1.00 0.00 C ATOM 908 O CYS A 58 9.650 -3.936 -1.746 1.00 0.00 O ATOM 909 CB CYS A 58 10.328 -4.375 -4.860 1.00 0.00 C ATOM 910 SG CYS A 58 11.312 -4.123 -6.372 1.00 0.00 S ATOM 0 H CYS A 58 10.528 -6.063 -2.508 1.00 0.00 H new ATOM 0 HA CYS A 58 12.142 -3.965 -3.781 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.802 -5.326 -4.936 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.569 -3.595 -4.799 1.00 0.00 H new ATOM 915 N SER A 59 10.843 -2.197 -2.531 1.00 0.00 N ATOM 916 CA SER A 59 10.278 -1.241 -1.586 1.00 0.00 C ATOM 917 C SER A 59 9.718 -0.023 -2.314 1.00 0.00 C ATOM 918 O SER A 59 9.800 1.103 -1.821 1.00 0.00 O ATOM 919 CB SER A 59 11.339 -0.802 -0.576 1.00 0.00 C ATOM 920 OG SER A 59 12.607 -0.666 -1.195 1.00 0.00 O ATOM 0 H SER A 59 11.526 -1.800 -3.175 1.00 0.00 H new ATOM 0 HA SER A 59 9.462 -1.732 -1.055 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.047 0.147 -0.126 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.401 -1.532 0.231 1.00 0.00 H new ATOM 0 HG SER A 59 13.268 -0.383 -0.529 1.00 0.00 H new ATOM 926 N THR A 60 9.148 -0.255 -3.493 1.00 0.00 N ATOM 927 CA THR A 60 8.576 0.821 -4.291 1.00 0.00 C ATOM 928 C THR A 60 7.303 0.367 -4.995 1.00 0.00 C ATOM 929 O THR A 60 7.055 -0.831 -5.138 1.00 0.00 O ATOM 930 CB THR A 60 9.577 1.333 -5.344 1.00 0.00 C ATOM 931 OG1 THR A 60 10.734 0.490 -5.371 1.00 0.00 O ATOM 932 CG2 THR A 60 9.994 2.765 -5.044 1.00 0.00 C ATOM 0 H THR A 60 9.071 -1.180 -3.916 1.00 0.00 H new ATOM 0 HA THR A 60 8.337 1.632 -3.603 1.00 0.00 H new ATOM 0 HB THR A 60 9.088 1.310 -6.318 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.365 0.821 -6.044 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.701 3.104 -5.801 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.115 3.409 -5.053 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.465 2.809 -4.062 1.00 0.00 H new ATOM 940 N ASP A 61 6.499 1.329 -5.434 1.00 0.00 N ATOM 941 CA ASP A 61 5.252 1.027 -6.126 1.00 0.00 C ATOM 942 C ASP A 61 5.524 0.485 -7.526 1.00 0.00 C ATOM 943 O ASP A 61 6.311 1.055 -8.282 1.00 0.00 O ATOM 944 CB ASP A 61 4.375 2.278 -6.211 1.00 0.00 C ATOM 945 CG ASP A 61 4.954 3.328 -7.139 1.00 0.00 C ATOM 946 OD1 ASP A 61 6.047 3.852 -6.835 1.00 0.00 O ATOM 947 OD2 ASP A 61 4.315 3.625 -8.170 1.00 0.00 O ATOM 0 H ASP A 61 6.689 2.325 -5.323 1.00 0.00 H new ATOM 0 HA ASP A 61 4.725 0.262 -5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.381 1.998 -6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.256 2.703 -5.215 1.00 0.00 H new ATOM 952 N LYS A 62 4.868 -0.620 -7.864 1.00 0.00 N ATOM 953 CA LYS A 62 5.038 -1.240 -9.173 1.00 0.00 C ATOM 954 C LYS A 62 6.473 -1.718 -9.366 1.00 0.00 C ATOM 955 O LYS A 62 6.919 -1.939 -10.493 1.00 0.00 O ATOM 956 CB LYS A 62 4.664 -0.253 -10.281 1.00 0.00 C ATOM 957 CG LYS A 62 3.340 0.452 -10.046 1.00 0.00 C ATOM 958 CD LYS A 62 2.172 -0.518 -10.117 1.00 0.00 C ATOM 959 CE LYS A 62 1.726 -0.748 -11.553 1.00 0.00 C ATOM 960 NZ LYS A 62 0.267 -1.031 -11.642 1.00 0.00 N ATOM 0 H LYS A 62 4.214 -1.105 -7.250 1.00 0.00 H new ATOM 0 HA LYS A 62 4.376 -2.104 -9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.453 0.494 -10.372 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.619 -0.786 -11.231 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.353 0.937 -9.070 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.208 1.237 -10.790 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.459 -1.468 -9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.338 -0.128 -9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.963 0.131 -12.152 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.284 -1.582 -11.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.097 -1.754 -12.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.076 -1.377 -10.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.241 -0.159 -11.895 1.00 0.00 H new ATOM 974 N CYS A 63 7.193 -1.877 -8.260 1.00 0.00 N ATOM 975 CA CYS A 63 8.578 -2.330 -8.308 1.00 0.00 C ATOM 976 C CYS A 63 8.654 -3.854 -8.274 1.00 0.00 C ATOM 977 O CYS A 63 9.319 -4.471 -9.104 1.00 0.00 O ATOM 978 CB CYS A 63 9.369 -1.744 -7.136 1.00 0.00 C ATOM 979 SG CYS A 63 11.103 -2.294 -7.060 1.00 0.00 S ATOM 0 H CYS A 63 6.840 -1.699 -7.320 1.00 0.00 H new ATOM 0 HA CYS A 63 9.015 -1.982 -9.244 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.347 -0.656 -7.204 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.872 -2.015 -6.205 1.00 0.00 H new ATOM 984 N ASN A 64 7.966 -4.454 -7.308 1.00 0.00 N ATOM 985 CA ASN A 64 7.955 -5.905 -7.165 1.00 0.00 C ATOM 986 C ASN A 64 7.579 -6.578 -8.482 1.00 0.00 C ATOM 987 O ASN A 64 6.434 -6.503 -8.926 1.00 0.00 O ATOM 988 CB ASN A 64 6.974 -6.323 -6.068 1.00 0.00 C ATOM 989 CG ASN A 64 7.331 -7.663 -5.453 1.00 0.00 C ATOM 990 OD1 ASN A 64 8.494 -8.067 -5.449 1.00 0.00 O ATOM 991 ND2 ASN A 64 6.329 -8.359 -4.929 1.00 0.00 N ATOM 0 H ASN A 64 7.409 -3.958 -6.613 1.00 0.00 H new ATOM 0 HA ASN A 64 8.959 -6.225 -6.887 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.959 -5.561 -5.289 1.00 0.00 H new ATOM 0 HB3 ASN A 64 5.968 -6.374 -6.484 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.508 -9.267 -4.501 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.380 -7.985 -4.955 1.00 0.00 H new ATOM 998 N LYS A 65 8.553 -7.238 -9.101 1.00 0.00 N ATOM 999 CA LYS A 65 8.326 -7.927 -10.366 1.00 0.00 C ATOM 1000 C LYS A 65 7.670 -9.284 -10.136 1.00 0.00 C ATOM 1001 O LYS A 65 7.647 -10.133 -11.028 1.00 0.00 O ATOM 1002 CB LYS A 65 9.648 -8.107 -11.116 1.00 0.00 C ATOM 1003 CG LYS A 65 10.142 -6.839 -11.790 1.00 0.00 C ATOM 1004 CD LYS A 65 11.276 -6.197 -11.008 1.00 0.00 C ATOM 1005 CE LYS A 65 12.550 -7.023 -11.094 1.00 0.00 C ATOM 1006 NZ LYS A 65 13.744 -6.248 -10.659 1.00 0.00 N ATOM 0 H LYS A 65 9.507 -7.310 -8.747 1.00 0.00 H new ATOM 0 HA LYS A 65 7.654 -7.316 -10.969 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.408 -8.457 -10.417 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.526 -8.885 -11.870 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.481 -7.071 -12.800 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.318 -6.132 -11.885 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.464 -5.195 -11.394 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.983 -6.087 -9.964 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.448 -7.913 -10.473 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.693 -7.365 -12.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.592 -6.846 -10.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.856 -5.412 -11.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.620 -5.943 -9.672 1.00 0.00 H new TER 1020 LYS A 65