USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 560 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 48 ASN : amide:sc= 0 X(o=0.75,f=0.61) USER MOD Set 1.2: A 52 THR OG1 : rot 79:sc= 0.747 USER MOD Set 2.1: A 37 ASN : amide:sc= -1.42 X(o=-2.5,f=-2.5) USER MOD Set 2.2: A 72 ASN : amide:sc= -1.12! C(o=-2.5!,f=-6.8!) USER MOD Single : A 1 LEU N :NH3+ 161:sc= -0.988 (180deg=-1.42!) USER MOD Single : A 2 GLN : amide:sc= -0.303 K(o=-0.3,f=-1.8) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.0705 USER MOD Single : A 5 ASN : amide:sc= -0.225 X(o=-0.23,f=-0.54) USER MOD Single : A 8 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.2) USER MOD Single : A 10 THR OG1 : rot -77:sc= 0.95 USER MOD Single : A 14 LYS NZ :NH3+ -145:sc= -0.258 (180deg=-1.07!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0884 K(o=-0.088,f=-0.92) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -70:sc= -1.17! USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 152:sc= -0.0682 (180deg=-0.416) USER MOD Single : A 44 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-0.16) USER MOD Single : A 46 ASN : amide:sc= -2.24 K(o=-2.2,f=-0.62) USER MOD Single : A 51 THR OG1 : rot -125:sc= 0.56 USER MOD Single : A 57 ASN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -2.19! C(o=-2.2!,f=-11!) USER MOD Single : A 74 GLN : amide:sc= -1.29 K(o=-1.3,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.904 -11.552 -7.035 1.00 0.00 N ATOM 2 CA LEU A 1 5.816 -10.404 -7.301 1.00 0.00 C ATOM 3 C LEU A 1 6.045 -9.622 -6.008 1.00 0.00 C ATOM 4 O LEU A 1 5.474 -9.921 -4.978 1.00 0.00 O ATOM 5 CB LEU A 1 5.190 -9.481 -8.348 1.00 0.00 C ATOM 6 CG LEU A 1 3.720 -9.238 -8.004 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.407 -7.746 -8.132 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.835 -10.031 -8.969 1.00 0.00 C ATOM 0 H1 LEU A 1 4.494 -11.885 -7.931 1.00 0.00 H new ATOM 0 H2 LEU A 1 5.440 -12.325 -6.591 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.141 -11.249 -6.397 1.00 0.00 H new ATOM 0 HA LEU A 1 6.769 -10.781 -7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 1 5.728 -8.533 -8.380 1.00 0.00 H new ATOM 0 HB3 LEU A 1 5.273 -9.929 -9.338 1.00 0.00 H new ATOM 0 HG LEU A 1 3.526 -9.563 -6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.359 -7.572 -7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.039 -7.182 -7.446 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.600 -7.420 -9.154 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.786 -9.859 -8.726 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.028 -9.705 -9.991 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.059 -11.094 -8.878 1.00 0.00 H new ATOM 22 N GLN A 2 6.882 -8.624 -6.055 1.00 0.00 N ATOM 23 CA GLN A 2 7.157 -7.820 -4.834 1.00 0.00 C ATOM 24 C GLN A 2 6.649 -6.397 -5.032 1.00 0.00 C ATOM 25 O GLN A 2 6.325 -5.981 -6.127 1.00 0.00 O ATOM 26 CB GLN A 2 8.666 -7.789 -4.577 1.00 0.00 C ATOM 27 CG GLN A 2 9.206 -9.219 -4.521 1.00 0.00 C ATOM 28 CD GLN A 2 10.437 -9.334 -5.422 1.00 0.00 C ATOM 29 OE1 GLN A 2 10.390 -8.979 -6.584 1.00 0.00 O ATOM 30 NE2 GLN A 2 11.546 -9.817 -4.933 1.00 0.00 N ATOM 0 H GLN A 2 7.389 -8.330 -6.890 1.00 0.00 H new ATOM 0 HA GLN A 2 6.648 -8.270 -3.982 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.168 -7.230 -5.367 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.875 -7.274 -3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.467 -9.481 -3.496 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.438 -9.922 -4.844 1.00 0.00 H new ATOM 0 HE21 GLN A 2 11.586 -10.115 -3.958 1.00 0.00 H new ATOM 0 HE22 GLN A 2 12.373 -9.897 -5.525 1.00 0.00 H new ATOM 39 N CYS A 3 6.576 -5.648 -3.974 1.00 0.00 N ATOM 40 CA CYS A 3 6.094 -4.244 -4.084 1.00 0.00 C ATOM 41 C CYS A 3 6.496 -3.465 -2.831 1.00 0.00 C ATOM 42 O CYS A 3 6.589 -4.011 -1.750 1.00 0.00 O ATOM 43 CB CYS A 3 4.577 -4.228 -4.237 1.00 0.00 C ATOM 44 SG CYS A 3 4.154 -4.279 -5.996 1.00 0.00 S ATOM 0 H CYS A 3 6.830 -5.946 -3.032 1.00 0.00 H new ATOM 0 HA CYS A 3 6.545 -3.777 -4.960 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.139 -5.082 -3.721 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.163 -3.331 -3.777 1.00 0.00 H new ATOM 49 N TYR A 4 6.741 -2.193 -2.973 1.00 0.00 N ATOM 50 CA TYR A 4 7.147 -1.375 -1.796 1.00 0.00 C ATOM 51 C TYR A 4 5.916 -1.029 -0.954 1.00 0.00 C ATOM 52 O TYR A 4 5.202 -0.088 -1.238 1.00 0.00 O ATOM 53 CB TYR A 4 7.812 -0.084 -2.279 1.00 0.00 C ATOM 54 CG TYR A 4 8.995 -0.421 -3.158 1.00 0.00 C ATOM 55 CD1 TYR A 4 10.202 -0.834 -2.581 1.00 0.00 C ATOM 56 CD2 TYR A 4 8.884 -0.315 -4.550 1.00 0.00 C ATOM 57 CE1 TYR A 4 11.297 -1.145 -3.396 1.00 0.00 C ATOM 58 CE2 TYR A 4 9.981 -0.626 -5.364 1.00 0.00 C ATOM 59 CZ TYR A 4 11.186 -1.040 -4.788 1.00 0.00 C ATOM 60 OH TYR A 4 12.266 -1.345 -5.590 1.00 0.00 O ATOM 0 H TYR A 4 6.678 -1.683 -3.854 1.00 0.00 H new ATOM 0 HA TYR A 4 7.850 -1.945 -1.188 1.00 0.00 H new ATOM 0 HB2 TYR A 4 7.095 0.521 -2.834 1.00 0.00 H new ATOM 0 HB3 TYR A 4 8.138 0.510 -1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.288 -0.913 -1.507 1.00 0.00 H new ATOM 0 HD2 TYR A 4 7.954 0.006 -4.995 1.00 0.00 H new ATOM 0 HE1 TYR A 4 12.227 -1.466 -2.951 1.00 0.00 H new ATOM 0 HE2 TYR A 4 9.896 -0.546 -6.438 1.00 0.00 H new ATOM 0 HH TYR A 4 12.020 -1.221 -6.531 1.00 0.00 H new ATOM 70 N ASN A 5 5.668 -1.779 0.085 1.00 0.00 N ATOM 71 CA ASN A 5 4.491 -1.489 0.952 1.00 0.00 C ATOM 72 C ASN A 5 4.904 -0.491 2.032 1.00 0.00 C ATOM 73 O ASN A 5 6.059 -0.397 2.395 1.00 0.00 O ATOM 74 CB ASN A 5 4.009 -2.783 1.611 1.00 0.00 C ATOM 75 CG ASN A 5 2.702 -2.516 2.362 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.691 -2.219 1.759 1.00 0.00 O ATOM 77 ND2 ASN A 5 2.683 -2.611 3.664 1.00 0.00 N ATOM 0 H ASN A 5 6.230 -2.581 0.371 1.00 0.00 H new ATOM 0 HA ASN A 5 3.684 -1.070 0.350 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.856 -3.554 0.855 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.767 -3.157 2.299 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.818 -2.436 4.176 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.533 -2.861 4.170 1.00 0.00 H new ATOM 84 N CYS A 6 3.973 0.264 2.544 1.00 0.00 N ATOM 85 CA CYS A 6 4.325 1.260 3.598 1.00 0.00 C ATOM 86 C CYS A 6 3.108 1.508 4.492 1.00 0.00 C ATOM 87 O CYS A 6 1.984 1.470 4.031 1.00 0.00 O ATOM 88 CB CYS A 6 4.749 2.594 2.959 1.00 0.00 C ATOM 89 SG CYS A 6 5.273 2.346 1.241 1.00 0.00 S ATOM 0 H CYS A 6 2.988 0.236 2.281 1.00 0.00 H new ATOM 0 HA CYS A 6 5.153 0.864 4.187 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.918 3.299 2.993 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.564 3.035 3.533 1.00 0.00 H new ATOM 94 N PRO A 7 3.372 1.768 5.747 1.00 0.00 N ATOM 95 CA PRO A 7 2.318 2.043 6.738 1.00 0.00 C ATOM 96 C PRO A 7 1.822 3.484 6.580 1.00 0.00 C ATOM 97 O PRO A 7 0.784 3.856 7.091 1.00 0.00 O ATOM 98 CB PRO A 7 3.028 1.852 8.081 1.00 0.00 C ATOM 99 CG PRO A 7 4.539 2.042 7.805 1.00 0.00 C ATOM 100 CD PRO A 7 4.743 1.811 6.297 1.00 0.00 C ATOM 0 HA PRO A 7 1.444 1.400 6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.673 2.576 8.815 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.829 0.861 8.488 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.862 3.043 8.091 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.131 1.337 8.389 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.327 2.613 5.847 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.278 0.881 6.106 1.00 0.00 H new ATOM 108 N ASN A 8 2.563 4.295 5.874 1.00 0.00 N ATOM 109 CA ASN A 8 2.149 5.711 5.675 1.00 0.00 C ATOM 110 C ASN A 8 2.391 6.107 4.217 1.00 0.00 C ATOM 111 O ASN A 8 3.197 5.502 3.539 1.00 0.00 O ATOM 112 CB ASN A 8 2.974 6.615 6.593 1.00 0.00 C ATOM 113 CG ASN A 8 4.460 6.300 6.414 1.00 0.00 C ATOM 114 OD1 ASN A 8 4.977 5.385 7.023 1.00 0.00 O ATOM 115 ND2 ASN A 8 5.174 7.024 5.596 1.00 0.00 N ATOM 0 H ASN A 8 3.441 4.035 5.425 1.00 0.00 H new ATOM 0 HA ASN A 8 1.091 5.821 5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.782 7.662 6.359 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.681 6.462 7.632 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.165 6.821 5.468 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.741 7.793 5.084 1.00 0.00 H new ATOM 122 N PRO A 9 1.681 7.115 3.779 1.00 0.00 N ATOM 123 CA PRO A 9 1.794 7.620 2.402 1.00 0.00 C ATOM 124 C PRO A 9 3.062 8.458 2.244 1.00 0.00 C ATOM 125 O PRO A 9 3.032 9.672 2.284 1.00 0.00 O ATOM 126 CB PRO A 9 0.538 8.475 2.226 1.00 0.00 C ATOM 127 CG PRO A 9 0.076 8.869 3.651 1.00 0.00 C ATOM 128 CD PRO A 9 0.705 7.844 4.614 1.00 0.00 C ATOM 0 HA PRO A 9 1.865 6.827 1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.752 9.361 1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.241 7.919 1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.398 9.881 3.897 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.011 8.854 3.724 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.191 8.335 5.457 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.047 7.172 5.027 1.00 0.00 H new ATOM 136 N THR A 10 4.174 7.808 2.064 1.00 0.00 N ATOM 137 CA THR A 10 5.456 8.549 1.897 1.00 0.00 C ATOM 138 C THR A 10 5.751 8.726 0.405 1.00 0.00 C ATOM 139 O THR A 10 5.284 7.970 -0.423 1.00 0.00 O ATOM 140 CB THR A 10 6.594 7.755 2.547 1.00 0.00 C ATOM 141 OG1 THR A 10 7.795 8.511 2.476 1.00 0.00 O ATOM 142 CG2 THR A 10 6.779 6.427 1.810 1.00 0.00 C ATOM 0 H THR A 10 4.253 6.792 2.025 1.00 0.00 H new ATOM 0 HA THR A 10 5.375 9.526 2.373 1.00 0.00 H new ATOM 0 HB THR A 10 6.350 7.556 3.591 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.157 8.465 1.566 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.589 5.863 2.273 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.857 5.849 1.865 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.024 6.621 0.766 1.00 0.00 H new ATOM 150 N ALA A 11 6.524 9.718 0.057 1.00 0.00 N ATOM 151 CA ALA A 11 6.850 9.940 -1.380 1.00 0.00 C ATOM 152 C ALA A 11 8.223 9.340 -1.687 1.00 0.00 C ATOM 153 O ALA A 11 8.981 9.869 -2.475 1.00 0.00 O ATOM 154 CB ALA A 11 6.872 11.443 -1.670 1.00 0.00 C ATOM 0 H ALA A 11 6.944 10.384 0.705 1.00 0.00 H new ATOM 0 HA ALA A 11 6.096 9.461 -2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.110 11.607 -2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.894 11.871 -1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.627 11.923 -1.047 1.00 0.00 H new ATOM 160 N ASP A 12 8.549 8.240 -1.066 1.00 0.00 N ATOM 161 CA ASP A 12 9.875 7.605 -1.316 1.00 0.00 C ATOM 162 C ASP A 12 9.985 6.321 -0.491 1.00 0.00 C ATOM 163 O ASP A 12 10.998 6.047 0.120 1.00 0.00 O ATOM 164 CB ASP A 12 10.992 8.570 -0.910 1.00 0.00 C ATOM 165 CG ASP A 12 10.512 9.461 0.238 1.00 0.00 C ATOM 166 OD1 ASP A 12 9.668 9.013 0.996 1.00 0.00 O ATOM 167 OD2 ASP A 12 10.995 10.578 0.336 1.00 0.00 O ATOM 0 H ASP A 12 7.954 7.753 -0.396 1.00 0.00 H new ATOM 0 HA ASP A 12 9.971 7.368 -2.376 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.876 8.010 -0.604 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.283 9.184 -1.762 1.00 0.00 H new ATOM 172 N CYS A 13 8.942 5.535 -0.468 1.00 0.00 N ATOM 173 CA CYS A 13 8.973 4.268 0.316 1.00 0.00 C ATOM 174 C CYS A 13 10.266 3.505 0.020 1.00 0.00 C ATOM 175 O CYS A 13 11.058 3.905 -0.809 1.00 0.00 O ATOM 176 CB CYS A 13 7.774 3.403 -0.074 1.00 0.00 C ATOM 177 SG CYS A 13 7.290 2.370 1.330 1.00 0.00 S ATOM 0 H CYS A 13 8.067 5.717 -0.960 1.00 0.00 H new ATOM 0 HA CYS A 13 8.929 4.502 1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.940 4.035 -0.378 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.027 2.777 -0.929 1.00 0.00 H new ATOM 182 N LYS A 14 10.483 2.407 0.694 1.00 0.00 N ATOM 183 CA LYS A 14 11.723 1.618 0.452 1.00 0.00 C ATOM 184 C LYS A 14 11.733 0.386 1.362 1.00 0.00 C ATOM 185 O LYS A 14 12.775 -0.070 1.789 1.00 0.00 O ATOM 186 CB LYS A 14 12.944 2.486 0.759 1.00 0.00 C ATOM 187 CG LYS A 14 12.738 3.195 2.099 1.00 0.00 C ATOM 188 CD LYS A 14 13.940 4.096 2.392 1.00 0.00 C ATOM 189 CE LYS A 14 14.936 3.347 3.280 1.00 0.00 C ATOM 190 NZ LYS A 14 14.298 3.039 4.591 1.00 0.00 N ATOM 0 H LYS A 14 9.855 2.024 1.401 1.00 0.00 H new ATOM 0 HA LYS A 14 11.753 1.299 -0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.842 1.870 0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.092 3.219 -0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.824 3.788 2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.618 2.461 2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.420 4.394 1.460 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.611 5.010 2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.253 2.425 2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.830 3.951 3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.010 3.099 5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.538 3.724 4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.900 2.079 4.566 1.00 0.00 H new ATOM 204 N THR A 15 10.584 -0.158 1.663 1.00 0.00 N ATOM 205 CA THR A 15 10.541 -1.360 2.546 1.00 0.00 C ATOM 206 C THR A 15 10.752 -2.620 1.701 1.00 0.00 C ATOM 207 O THR A 15 11.277 -3.612 2.167 1.00 0.00 O ATOM 208 CB THR A 15 9.183 -1.428 3.257 1.00 0.00 C ATOM 209 OG1 THR A 15 9.282 -2.298 4.376 1.00 0.00 O ATOM 210 CG2 THR A 15 8.112 -1.951 2.295 1.00 0.00 C ATOM 0 H THR A 15 9.677 0.176 1.337 1.00 0.00 H new ATOM 0 HA THR A 15 11.331 -1.293 3.294 1.00 0.00 H new ATOM 0 HB THR A 15 8.902 -0.429 3.591 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.416 -2.342 4.833 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.152 -1.996 2.809 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.034 -1.282 1.438 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.387 -2.949 1.952 1.00 0.00 H new ATOM 218 N ALA A 16 10.353 -2.584 0.460 1.00 0.00 N ATOM 219 CA ALA A 16 10.532 -3.769 -0.423 1.00 0.00 C ATOM 220 C ALA A 16 10.074 -5.036 0.303 1.00 0.00 C ATOM 221 O ALA A 16 10.806 -5.616 1.080 1.00 0.00 O ATOM 222 CB ALA A 16 12.007 -3.893 -0.797 1.00 0.00 C ATOM 0 H ALA A 16 9.908 -1.780 0.018 1.00 0.00 H new ATOM 0 HA ALA A 16 9.933 -3.645 -1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.147 -4.759 -1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.326 -2.993 -1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.603 -4.016 0.108 1.00 0.00 H new ATOM 228 N VAL A 17 8.869 -5.472 0.054 1.00 0.00 N ATOM 229 CA VAL A 17 8.367 -6.703 0.728 1.00 0.00 C ATOM 230 C VAL A 17 7.372 -7.419 -0.188 1.00 0.00 C ATOM 231 O VAL A 17 6.662 -6.800 -0.955 1.00 0.00 O ATOM 232 CB VAL A 17 7.673 -6.320 2.035 1.00 0.00 C ATOM 233 CG1 VAL A 17 6.390 -5.547 1.725 1.00 0.00 C ATOM 234 CG2 VAL A 17 7.327 -7.588 2.818 1.00 0.00 C ATOM 0 H VAL A 17 8.211 -5.029 -0.587 1.00 0.00 H new ATOM 0 HA VAL A 17 9.205 -7.367 0.942 1.00 0.00 H new ATOM 0 HB VAL A 17 8.339 -5.695 2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.895 -5.274 2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.635 -4.644 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.724 -6.172 1.130 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.832 -7.316 3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.661 -8.213 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.241 -8.139 3.040 1.00 0.00 H new ATOM 244 N ASN A 18 7.315 -8.720 -0.112 1.00 0.00 N ATOM 245 CA ASN A 18 6.367 -9.479 -0.976 1.00 0.00 C ATOM 246 C ASN A 18 4.934 -9.241 -0.496 1.00 0.00 C ATOM 247 O ASN A 18 4.597 -9.512 0.638 1.00 0.00 O ATOM 248 CB ASN A 18 6.685 -10.973 -0.890 1.00 0.00 C ATOM 249 CG ASN A 18 7.921 -11.286 -1.732 1.00 0.00 C ATOM 250 OD1 ASN A 18 7.844 -11.427 -2.936 1.00 0.00 O ATOM 251 ND2 ASN A 18 9.062 -11.400 -1.109 1.00 0.00 N ATOM 0 H ASN A 18 7.885 -9.291 0.512 1.00 0.00 H new ATOM 0 HA ASN A 18 6.468 -9.141 -2.007 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.858 -11.259 0.148 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.835 -11.556 -1.244 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.911 -11.611 -1.634 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.105 -11.278 -0.097 1.00 0.00 H new ATOM 257 N CYS A 19 4.083 -8.746 -1.353 1.00 0.00 N ATOM 258 CA CYS A 19 2.672 -8.503 -0.942 1.00 0.00 C ATOM 259 C CYS A 19 2.053 -9.827 -0.487 1.00 0.00 C ATOM 260 O CYS A 19 1.815 -10.716 -1.281 1.00 0.00 O ATOM 261 CB CYS A 19 1.880 -7.946 -2.127 1.00 0.00 C ATOM 262 SG CYS A 19 2.277 -6.193 -2.349 1.00 0.00 S ATOM 0 H CYS A 19 4.304 -8.500 -2.318 1.00 0.00 H new ATOM 0 HA CYS A 19 2.645 -7.782 -0.125 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.121 -8.502 -3.033 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.811 -8.068 -1.953 1.00 0.00 H new ATOM 267 N SER A 20 1.797 -9.969 0.784 1.00 0.00 N ATOM 268 CA SER A 20 1.202 -11.241 1.284 1.00 0.00 C ATOM 269 C SER A 20 -0.096 -10.945 2.040 1.00 0.00 C ATOM 270 O SER A 20 -0.117 -10.873 3.251 1.00 0.00 O ATOM 271 CB SER A 20 2.195 -11.926 2.225 1.00 0.00 C ATOM 272 OG SER A 20 3.009 -12.820 1.479 1.00 0.00 O ATOM 0 H SER A 20 1.973 -9.261 1.497 1.00 0.00 H new ATOM 0 HA SER A 20 0.983 -11.895 0.440 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.815 -11.181 2.723 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.660 -12.468 3.005 1.00 0.00 H new ATOM 0 HG SER A 20 3.647 -13.259 2.079 1.00 0.00 H new ATOM 278 N SER A 21 -1.180 -10.775 1.331 1.00 0.00 N ATOM 279 CA SER A 21 -2.480 -10.488 2.005 1.00 0.00 C ATOM 280 C SER A 21 -3.599 -10.489 0.960 1.00 0.00 C ATOM 281 O SER A 21 -4.345 -9.538 0.834 1.00 0.00 O ATOM 282 CB SER A 21 -2.423 -9.117 2.685 1.00 0.00 C ATOM 283 OG SER A 21 -1.066 -8.748 2.898 1.00 0.00 O ATOM 0 H SER A 21 -1.221 -10.823 0.313 1.00 0.00 H new ATOM 0 HA SER A 21 -2.673 -11.253 2.757 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.921 -8.371 2.065 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.956 -9.148 3.635 1.00 0.00 H new ATOM 0 HG SER A 21 -0.679 -9.315 3.597 1.00 0.00 H new ATOM 289 N ASP A 22 -3.718 -11.549 0.208 1.00 0.00 N ATOM 290 CA ASP A 22 -4.783 -11.611 -0.833 1.00 0.00 C ATOM 291 C ASP A 22 -4.594 -10.456 -1.817 1.00 0.00 C ATOM 292 O ASP A 22 -5.397 -9.546 -1.884 1.00 0.00 O ATOM 293 CB ASP A 22 -6.157 -11.501 -0.169 1.00 0.00 C ATOM 294 CG ASP A 22 -7.101 -12.539 -0.781 1.00 0.00 C ATOM 295 OD1 ASP A 22 -6.701 -13.687 -0.885 1.00 0.00 O ATOM 296 OD2 ASP A 22 -8.208 -12.167 -1.135 1.00 0.00 O ATOM 0 H ASP A 22 -3.123 -12.375 0.270 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.718 -12.559 -1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.068 -11.663 0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.561 -10.498 -0.308 1.00 0.00 H new ATOM 301 N PHE A 23 -3.536 -10.484 -2.580 1.00 0.00 N ATOM 302 CA PHE A 23 -3.292 -9.385 -3.558 1.00 0.00 C ATOM 303 C PHE A 23 -3.114 -9.968 -4.961 1.00 0.00 C ATOM 304 O PHE A 23 -2.203 -10.730 -5.217 1.00 0.00 O ATOM 305 CB PHE A 23 -2.023 -8.627 -3.165 1.00 0.00 C ATOM 306 CG PHE A 23 -2.265 -7.860 -1.888 1.00 0.00 C ATOM 307 CD1 PHE A 23 -3.344 -6.972 -1.798 1.00 0.00 C ATOM 308 CD2 PHE A 23 -1.410 -8.035 -0.794 1.00 0.00 C ATOM 309 CE1 PHE A 23 -3.567 -6.261 -0.614 1.00 0.00 C ATOM 310 CE2 PHE A 23 -1.634 -7.324 0.391 1.00 0.00 C ATOM 311 CZ PHE A 23 -2.712 -6.436 0.481 1.00 0.00 C ATOM 0 H PHE A 23 -2.830 -11.220 -2.569 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.145 -8.706 -3.553 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.197 -9.326 -3.030 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.735 -7.943 -3.963 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.004 -6.836 -2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.577 -8.719 -0.864 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.399 -5.576 -0.544 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.975 -7.461 1.236 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.884 -5.886 1.394 1.00 0.00 H new ATOM 321 N ASP A 24 -3.974 -9.609 -5.873 1.00 0.00 N ATOM 322 CA ASP A 24 -3.851 -10.133 -7.261 1.00 0.00 C ATOM 323 C ASP A 24 -3.391 -9.005 -8.189 1.00 0.00 C ATOM 324 O ASP A 24 -3.304 -9.172 -9.389 1.00 0.00 O ATOM 325 CB ASP A 24 -5.211 -10.653 -7.734 1.00 0.00 C ATOM 326 CG ASP A 24 -5.477 -12.028 -7.120 1.00 0.00 C ATOM 327 OD1 ASP A 24 -4.520 -12.755 -6.907 1.00 0.00 O ATOM 328 OD2 ASP A 24 -6.632 -12.329 -6.871 1.00 0.00 O ATOM 0 H ASP A 24 -4.757 -8.975 -5.716 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.124 -10.945 -7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.998 -9.956 -7.446 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.228 -10.720 -8.822 1.00 0.00 H new ATOM 333 N ALA A 25 -3.101 -7.855 -7.642 1.00 0.00 N ATOM 334 CA ALA A 25 -2.654 -6.718 -8.493 1.00 0.00 C ATOM 335 C ALA A 25 -2.000 -5.650 -7.614 1.00 0.00 C ATOM 336 O ALA A 25 -2.644 -5.038 -6.787 1.00 0.00 O ATOM 337 CB ALA A 25 -3.867 -6.111 -9.203 1.00 0.00 C ATOM 0 H ALA A 25 -3.155 -7.655 -6.643 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.935 -7.076 -9.230 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.544 -5.278 -9.827 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.341 -6.869 -9.826 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.581 -5.753 -8.461 1.00 0.00 H new ATOM 343 N CYS A 26 -0.729 -5.407 -7.794 1.00 0.00 N ATOM 344 CA CYS A 26 -0.057 -4.364 -6.972 1.00 0.00 C ATOM 345 C CYS A 26 -0.708 -3.024 -7.280 1.00 0.00 C ATOM 346 O CYS A 26 -1.383 -2.873 -8.275 1.00 0.00 O ATOM 347 CB CYS A 26 1.433 -4.313 -7.314 1.00 0.00 C ATOM 348 SG CYS A 26 2.367 -5.216 -6.055 1.00 0.00 S ATOM 0 H CYS A 26 -0.132 -5.883 -8.470 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.160 -4.595 -5.912 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.607 -4.751 -8.297 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.772 -3.278 -7.362 1.00 0.00 H new ATOM 353 N LEU A 27 -0.539 -2.055 -6.433 1.00 0.00 N ATOM 354 CA LEU A 27 -1.185 -0.744 -6.706 1.00 0.00 C ATOM 355 C LEU A 27 -0.232 0.410 -6.399 1.00 0.00 C ATOM 356 O LEU A 27 0.373 0.478 -5.348 1.00 0.00 O ATOM 357 CB LEU A 27 -2.439 -0.616 -5.844 1.00 0.00 C ATOM 358 CG LEU A 27 -3.029 0.785 -5.998 1.00 0.00 C ATOM 359 CD1 LEU A 27 -4.323 0.701 -6.808 1.00 0.00 C ATOM 360 CD2 LEU A 27 -3.330 1.362 -4.614 1.00 0.00 C ATOM 0 H LEU A 27 0.010 -2.109 -5.575 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.449 -0.697 -7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.174 -1.365 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.194 -0.805 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.317 1.429 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.747 1.699 -6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.110 0.285 -7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.036 0.060 -6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.751 2.362 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.045 0.720 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.409 1.416 -4.034 1.00 0.00 H new ATOM 372 N ILE A 28 -0.122 1.332 -7.315 1.00 0.00 N ATOM 373 CA ILE A 28 0.758 2.510 -7.103 1.00 0.00 C ATOM 374 C ILE A 28 -0.056 3.768 -7.428 1.00 0.00 C ATOM 375 O ILE A 28 -0.216 4.147 -8.571 1.00 0.00 O ATOM 376 CB ILE A 28 1.988 2.404 -8.017 1.00 0.00 C ATOM 377 CG1 ILE A 28 3.021 3.465 -7.621 1.00 0.00 C ATOM 378 CG2 ILE A 28 1.575 2.605 -9.476 1.00 0.00 C ATOM 379 CD1 ILE A 28 2.472 4.861 -7.919 1.00 0.00 C ATOM 0 H ILE A 28 -0.611 1.317 -8.210 1.00 0.00 H new ATOM 0 HA ILE A 28 1.108 2.555 -6.072 1.00 0.00 H new ATOM 0 HB ILE A 28 2.428 1.413 -7.905 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.258 3.376 -6.561 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.949 3.305 -8.170 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.453 2.528 -10.117 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.852 1.840 -9.758 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.125 3.591 -9.594 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.211 5.611 -7.635 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.257 4.948 -8.984 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.556 5.021 -7.350 1.00 0.00 H new ATOM 391 N THR A 29 -0.603 4.400 -6.426 1.00 0.00 N ATOM 392 CA THR A 29 -1.432 5.612 -6.674 1.00 0.00 C ATOM 393 C THR A 29 -0.646 6.869 -6.297 1.00 0.00 C ATOM 394 O THR A 29 -0.421 7.148 -5.136 1.00 0.00 O ATOM 395 CB THR A 29 -2.708 5.526 -5.829 1.00 0.00 C ATOM 396 OG1 THR A 29 -3.606 4.602 -6.428 1.00 0.00 O ATOM 397 CG2 THR A 29 -3.375 6.902 -5.745 1.00 0.00 C ATOM 0 H THR A 29 -0.511 4.129 -5.447 1.00 0.00 H new ATOM 0 HA THR A 29 -1.693 5.665 -7.731 1.00 0.00 H new ATOM 0 HB THR A 29 -2.451 5.193 -4.824 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.422 4.543 -5.889 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.281 6.831 -5.143 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.688 7.612 -5.285 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.632 7.244 -6.748 1.00 0.00 H new ATOM 405 N LYS A 30 -0.241 7.637 -7.269 1.00 0.00 N ATOM 406 CA LYS A 30 0.514 8.884 -6.966 1.00 0.00 C ATOM 407 C LYS A 30 -0.444 10.069 -7.032 1.00 0.00 C ATOM 408 O LYS A 30 -0.497 10.792 -8.008 1.00 0.00 O ATOM 409 CB LYS A 30 1.636 9.069 -7.989 1.00 0.00 C ATOM 410 CG LYS A 30 2.289 10.438 -7.787 1.00 0.00 C ATOM 411 CD LYS A 30 3.776 10.351 -8.134 1.00 0.00 C ATOM 412 CE LYS A 30 4.431 11.716 -7.920 1.00 0.00 C ATOM 413 NZ LYS A 30 4.753 12.326 -9.240 1.00 0.00 N ATOM 0 H LYS A 30 -0.400 7.455 -8.260 1.00 0.00 H new ATOM 0 HA LYS A 30 0.951 8.818 -5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.379 8.279 -7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.237 8.990 -9.000 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.801 11.182 -8.417 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.164 10.763 -6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.262 9.601 -7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.901 10.034 -9.170 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.761 12.369 -7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.339 11.606 -7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.198 13.254 -9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.407 11.706 -9.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.879 12.444 -9.790 1.00 0.00 H new ATOM 427 N ALA A 31 -1.208 10.268 -5.997 1.00 0.00 N ATOM 428 CA ALA A 31 -2.177 11.399 -5.985 1.00 0.00 C ATOM 429 C ALA A 31 -1.434 12.716 -6.215 1.00 0.00 C ATOM 430 O ALA A 31 -0.220 12.755 -6.261 1.00 0.00 O ATOM 431 CB ALA A 31 -2.889 11.443 -4.631 1.00 0.00 C ATOM 0 H ALA A 31 -1.204 9.694 -5.154 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.910 11.256 -6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.599 12.270 -4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.421 10.506 -4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.155 11.585 -3.838 1.00 0.00 H new ATOM 437 N GLY A 32 -2.153 13.796 -6.358 1.00 0.00 N ATOM 438 CA GLY A 32 -1.490 15.110 -6.584 1.00 0.00 C ATOM 439 C GLY A 32 -1.122 15.733 -5.237 1.00 0.00 C ATOM 440 O GLY A 32 -1.438 16.875 -4.962 1.00 0.00 O ATOM 0 H GLY A 32 -3.172 13.824 -6.328 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.595 14.978 -7.192 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.155 15.775 -7.135 1.00 0.00 H new ATOM 444 N LEU A 33 -0.457 14.993 -4.394 1.00 0.00 N ATOM 445 CA LEU A 33 -0.069 15.543 -3.065 1.00 0.00 C ATOM 446 C LEU A 33 0.834 14.540 -2.344 1.00 0.00 C ATOM 447 O LEU A 33 1.835 14.901 -1.760 1.00 0.00 O ATOM 448 CB LEU A 33 -1.326 15.790 -2.229 1.00 0.00 C ATOM 449 CG LEU A 33 -0.979 16.684 -1.037 1.00 0.00 C ATOM 450 CD1 LEU A 33 -0.265 17.942 -1.534 1.00 0.00 C ATOM 451 CD2 LEU A 33 -2.264 17.081 -0.308 1.00 0.00 C ATOM 0 H LEU A 33 -0.165 14.031 -4.568 1.00 0.00 H new ATOM 0 HA LEU A 33 0.467 16.482 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.095 16.263 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.735 14.842 -1.879 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.325 16.142 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.018 18.579 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.650 17.659 -2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.918 18.485 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.018 17.718 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.917 17.624 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.773 16.185 0.046 1.00 0.00 H new ATOM 463 N GLN A 34 0.488 13.282 -2.381 1.00 0.00 N ATOM 464 CA GLN A 34 1.328 12.259 -1.698 1.00 0.00 C ATOM 465 C GLN A 34 1.374 10.987 -2.547 1.00 0.00 C ATOM 466 O GLN A 34 0.705 10.875 -3.554 1.00 0.00 O ATOM 467 CB GLN A 34 0.726 11.930 -0.331 1.00 0.00 C ATOM 468 CG GLN A 34 0.292 13.221 0.366 1.00 0.00 C ATOM 469 CD GLN A 34 -0.270 12.888 1.750 1.00 0.00 C ATOM 470 OE1 GLN A 34 0.335 12.149 2.502 1.00 0.00 O ATOM 471 NE2 GLN A 34 -1.411 13.402 2.120 1.00 0.00 N ATOM 0 H GLN A 34 -0.339 12.919 -2.854 1.00 0.00 H new ATOM 0 HA GLN A 34 2.337 12.650 -1.568 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.129 11.265 -0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.457 11.403 0.282 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.140 13.899 0.459 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.462 13.734 -0.231 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.919 14.022 1.490 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.794 13.184 3.040 1.00 0.00 H new ATOM 480 N VAL A 35 2.160 10.026 -2.146 1.00 0.00 N ATOM 481 CA VAL A 35 2.247 8.760 -2.924 1.00 0.00 C ATOM 482 C VAL A 35 1.550 7.644 -2.146 1.00 0.00 C ATOM 483 O VAL A 35 1.371 7.731 -0.948 1.00 0.00 O ATOM 484 CB VAL A 35 3.718 8.396 -3.141 1.00 0.00 C ATOM 485 CG1 VAL A 35 3.814 7.004 -3.768 1.00 0.00 C ATOM 486 CG2 VAL A 35 4.363 9.421 -4.075 1.00 0.00 C ATOM 0 H VAL A 35 2.746 10.064 -1.312 1.00 0.00 H new ATOM 0 HA VAL A 35 1.762 8.888 -3.892 1.00 0.00 H new ATOM 0 HB VAL A 35 4.237 8.398 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.862 6.746 -3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.354 6.273 -3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.295 7.000 -4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.411 9.163 -4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.843 9.419 -5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.296 10.413 -3.628 1.00 0.00 H new ATOM 496 N TYR A 36 1.149 6.596 -2.813 1.00 0.00 N ATOM 497 CA TYR A 36 0.460 5.484 -2.099 1.00 0.00 C ATOM 498 C TYR A 36 0.951 4.139 -2.635 1.00 0.00 C ATOM 499 O TYR A 36 0.367 3.565 -3.533 1.00 0.00 O ATOM 500 CB TYR A 36 -1.051 5.596 -2.317 1.00 0.00 C ATOM 501 CG TYR A 36 -1.603 6.714 -1.465 1.00 0.00 C ATOM 502 CD1 TYR A 36 -2.003 6.460 -0.148 1.00 0.00 C ATOM 503 CD2 TYR A 36 -1.713 8.006 -1.992 1.00 0.00 C ATOM 504 CE1 TYR A 36 -2.514 7.498 0.642 1.00 0.00 C ATOM 505 CE2 TYR A 36 -2.223 9.044 -1.203 1.00 0.00 C ATOM 506 CZ TYR A 36 -2.624 8.790 0.113 1.00 0.00 C ATOM 507 OH TYR A 36 -3.126 9.814 0.890 1.00 0.00 O ATOM 0 H TYR A 36 1.268 6.462 -3.817 1.00 0.00 H new ATOM 0 HA TYR A 36 0.683 5.550 -1.034 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.264 5.787 -3.369 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.537 4.655 -2.060 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.918 5.463 0.259 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.404 8.202 -3.008 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.823 7.302 1.658 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.307 10.041 -1.610 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.133 10.645 0.371 1.00 0.00 H new ATOM 517 N ASN A 37 2.015 3.625 -2.084 1.00 0.00 N ATOM 518 CA ASN A 37 2.537 2.310 -2.554 1.00 0.00 C ATOM 519 C ASN A 37 1.931 1.201 -1.693 1.00 0.00 C ATOM 520 O ASN A 37 2.361 0.960 -0.583 1.00 0.00 O ATOM 521 CB ASN A 37 4.061 2.284 -2.424 1.00 0.00 C ATOM 522 CG ASN A 37 4.662 3.471 -3.180 1.00 0.00 C ATOM 523 OD1 ASN A 37 5.663 4.023 -2.769 1.00 0.00 O ATOM 524 ND2 ASN A 37 4.089 3.890 -4.274 1.00 0.00 N ATOM 0 H ASN A 37 2.546 4.058 -1.329 1.00 0.00 H new ATOM 0 HA ASN A 37 2.266 2.158 -3.599 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.347 2.327 -1.373 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.454 1.349 -2.823 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.481 4.681 -4.784 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.248 3.427 -4.619 1.00 0.00 H new ATOM 531 N LYS A 38 0.926 0.532 -2.187 1.00 0.00 N ATOM 532 CA LYS A 38 0.290 -0.550 -1.384 1.00 0.00 C ATOM 533 C LYS A 38 -0.217 -1.658 -2.307 1.00 0.00 C ATOM 534 O LYS A 38 -0.496 -1.438 -3.471 1.00 0.00 O ATOM 535 CB LYS A 38 -0.889 0.035 -0.604 1.00 0.00 C ATOM 536 CG LYS A 38 -0.842 -0.452 0.846 1.00 0.00 C ATOM 537 CD LYS A 38 -2.120 -0.023 1.568 1.00 0.00 C ATOM 538 CE LYS A 38 -2.241 1.501 1.528 1.00 0.00 C ATOM 539 NZ LYS A 38 -3.376 1.888 0.643 1.00 0.00 N ATOM 0 H LYS A 38 0.519 0.687 -3.109 1.00 0.00 H new ATOM 0 HA LYS A 38 1.025 -0.967 -0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.852 1.124 -0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.829 -0.265 -1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.742 -1.537 0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.031 -0.039 1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.989 -0.480 1.094 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.101 -0.370 2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.401 1.890 2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.314 1.940 1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.458 2.924 0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.205 1.529 -0.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.259 1.481 1.012 1.00 0.00 H new ATOM 553 N CYS A 39 -0.352 -2.846 -1.789 1.00 0.00 N ATOM 554 CA CYS A 39 -0.858 -3.973 -2.622 1.00 0.00 C ATOM 555 C CYS A 39 -2.362 -3.791 -2.816 1.00 0.00 C ATOM 556 O CYS A 39 -3.023 -3.163 -2.013 1.00 0.00 O ATOM 557 CB CYS A 39 -0.584 -5.303 -1.916 1.00 0.00 C ATOM 558 SG CYS A 39 1.024 -5.231 -1.089 1.00 0.00 S ATOM 0 H CYS A 39 -0.133 -3.086 -0.822 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.354 -3.980 -3.588 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.369 -5.509 -1.189 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.597 -6.119 -2.638 1.00 0.00 H new ATOM 563 N TRP A 40 -2.914 -4.312 -3.875 1.00 0.00 N ATOM 564 CA TRP A 40 -4.366 -4.134 -4.102 1.00 0.00 C ATOM 565 C TRP A 40 -4.929 -5.342 -4.855 1.00 0.00 C ATOM 566 O TRP A 40 -4.198 -6.122 -5.432 1.00 0.00 O ATOM 567 CB TRP A 40 -4.566 -2.867 -4.925 1.00 0.00 C ATOM 568 CG TRP A 40 -5.907 -2.295 -4.642 1.00 0.00 C ATOM 569 CD1 TRP A 40 -7.043 -2.674 -5.252 1.00 0.00 C ATOM 570 CD2 TRP A 40 -6.269 -1.254 -3.693 1.00 0.00 C ATOM 571 NE1 TRP A 40 -8.093 -1.927 -4.744 1.00 0.00 N ATOM 572 CE2 TRP A 40 -7.664 -1.037 -3.775 1.00 0.00 C ATOM 573 CE3 TRP A 40 -5.530 -0.486 -2.777 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -8.304 -0.086 -2.976 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -6.168 0.471 -1.971 1.00 0.00 C ATOM 576 CH2 TRP A 40 -7.553 0.669 -2.070 1.00 0.00 C ATOM 0 H TRP A 40 -2.422 -4.850 -4.588 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.889 -4.049 -3.149 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -3.791 -2.139 -4.685 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -4.473 -3.093 -5.987 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.124 -3.436 -6.013 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.062 -2.021 -5.047 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.463 -0.633 -2.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -9.370 0.065 -3.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.590 1.057 -1.272 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -8.039 1.405 -1.446 1.00 0.00 H new ATOM 587 N LYS A 41 -6.225 -5.504 -4.851 1.00 0.00 N ATOM 588 CA LYS A 41 -6.834 -6.661 -5.563 1.00 0.00 C ATOM 589 C LYS A 41 -7.141 -6.267 -7.008 1.00 0.00 C ATOM 590 O LYS A 41 -7.226 -5.101 -7.339 1.00 0.00 O ATOM 591 CB LYS A 41 -8.133 -7.066 -4.862 1.00 0.00 C ATOM 592 CG LYS A 41 -7.939 -8.414 -4.165 1.00 0.00 C ATOM 593 CD LYS A 41 -8.492 -8.336 -2.741 1.00 0.00 C ATOM 594 CE LYS A 41 -7.558 -7.486 -1.878 1.00 0.00 C ATOM 595 NZ LYS A 41 -8.263 -6.244 -1.455 1.00 0.00 N ATOM 0 H LYS A 41 -6.887 -4.884 -4.385 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.137 -7.499 -5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.418 -6.306 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.944 -7.133 -5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.449 -9.200 -4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.881 -8.675 -4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.492 -7.901 -2.751 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.584 -9.337 -2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.240 -8.052 -1.003 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.658 -7.233 -2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.874 -5.915 -0.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.130 -5.507 -2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.278 -6.441 -1.345 1.00 0.00 H new ATOM 609 N PHE A 42 -7.314 -7.230 -7.872 1.00 0.00 N ATOM 610 CA PHE A 42 -7.620 -6.911 -9.294 1.00 0.00 C ATOM 611 C PHE A 42 -9.107 -6.594 -9.426 1.00 0.00 C ATOM 612 O PHE A 42 -9.522 -5.860 -10.301 1.00 0.00 O ATOM 613 CB PHE A 42 -7.275 -8.112 -10.173 1.00 0.00 C ATOM 614 CG PHE A 42 -7.249 -7.683 -11.619 1.00 0.00 C ATOM 615 CD1 PHE A 42 -8.443 -7.375 -12.281 1.00 0.00 C ATOM 616 CD2 PHE A 42 -6.028 -7.588 -12.297 1.00 0.00 C ATOM 617 CE1 PHE A 42 -8.417 -6.975 -13.622 1.00 0.00 C ATOM 618 CE2 PHE A 42 -6.002 -7.187 -13.638 1.00 0.00 C ATOM 619 CZ PHE A 42 -7.196 -6.880 -14.300 1.00 0.00 C ATOM 0 H PHE A 42 -7.256 -8.225 -7.653 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.031 -6.051 -9.612 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.306 -8.520 -9.886 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.010 -8.904 -10.030 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.385 -7.446 -11.757 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.106 -7.824 -11.786 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.339 -6.740 -14.133 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.060 -7.115 -14.162 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.175 -6.570 -15.334 1.00 0.00 H new ATOM 629 N GLU A 43 -9.917 -7.147 -8.565 1.00 0.00 N ATOM 630 CA GLU A 43 -11.377 -6.880 -8.644 1.00 0.00 C ATOM 631 C GLU A 43 -11.674 -5.497 -8.068 1.00 0.00 C ATOM 632 O GLU A 43 -12.698 -4.904 -8.347 1.00 0.00 O ATOM 633 CB GLU A 43 -12.134 -7.945 -7.848 1.00 0.00 C ATOM 634 CG GLU A 43 -13.639 -7.714 -7.988 1.00 0.00 C ATOM 635 CD GLU A 43 -14.358 -9.063 -8.055 1.00 0.00 C ATOM 636 OE1 GLU A 43 -14.208 -9.743 -9.056 1.00 0.00 O ATOM 637 OE2 GLU A 43 -15.044 -9.393 -7.102 1.00 0.00 O ATOM 0 H GLU A 43 -9.629 -7.771 -7.812 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.698 -6.913 -9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.873 -8.939 -8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.845 -7.903 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.009 -7.134 -7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.847 -7.134 -8.887 1.00 0.00 H new ATOM 644 N HIS A 44 -10.784 -4.974 -7.273 1.00 0.00 N ATOM 645 CA HIS A 44 -11.011 -3.626 -6.687 1.00 0.00 C ATOM 646 C HIS A 44 -10.124 -2.612 -7.409 1.00 0.00 C ATOM 647 O HIS A 44 -9.894 -1.520 -6.931 1.00 0.00 O ATOM 648 CB HIS A 44 -10.658 -3.649 -5.198 1.00 0.00 C ATOM 649 CG HIS A 44 -11.567 -4.609 -4.481 1.00 0.00 C ATOM 650 ND1 HIS A 44 -11.560 -4.741 -3.102 1.00 0.00 N ATOM 651 CD2 HIS A 44 -12.516 -5.490 -4.938 1.00 0.00 C ATOM 652 CE1 HIS A 44 -12.479 -5.670 -2.779 1.00 0.00 C ATOM 653 NE2 HIS A 44 -13.090 -6.159 -3.861 1.00 0.00 N ATOM 0 H HIS A 44 -9.908 -5.423 -7.004 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.058 -3.346 -6.803 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.618 -3.948 -5.065 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.760 -2.650 -4.774 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.777 -5.641 -5.975 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.696 -5.982 -1.768 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -13.821 -6.870 -3.892 1.00 0.00 H new ATOM 661 N CYS A 45 -9.626 -2.967 -8.564 1.00 0.00 N ATOM 662 CA CYS A 45 -8.753 -2.024 -9.319 1.00 0.00 C ATOM 663 C CYS A 45 -9.602 -1.241 -10.324 1.00 0.00 C ATOM 664 O CYS A 45 -9.579 -1.507 -11.510 1.00 0.00 O ATOM 665 CB CYS A 45 -7.674 -2.810 -10.069 1.00 0.00 C ATOM 666 SG CYS A 45 -6.068 -2.540 -9.278 1.00 0.00 S ATOM 0 H CYS A 45 -9.786 -3.867 -9.016 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.279 -1.333 -8.622 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.917 -3.873 -10.069 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.636 -2.492 -11.111 1.00 0.00 H new ATOM 671 N ASN A 46 -10.352 -0.279 -9.860 1.00 0.00 N ATOM 672 CA ASN A 46 -11.201 0.516 -10.791 1.00 0.00 C ATOM 673 C ASN A 46 -11.178 1.988 -10.374 1.00 0.00 C ATOM 674 O ASN A 46 -10.415 2.388 -9.517 1.00 0.00 O ATOM 675 CB ASN A 46 -12.640 -0.003 -10.738 1.00 0.00 C ATOM 676 CG ASN A 46 -12.642 -1.522 -10.918 1.00 0.00 C ATOM 677 OD1 ASN A 46 -12.919 -2.018 -11.992 1.00 0.00 O ATOM 678 ND2 ASN A 46 -12.343 -2.287 -9.904 1.00 0.00 N ATOM 0 H ASN A 46 -10.413 -0.010 -8.878 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.814 0.419 -11.805 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -13.098 0.261 -9.785 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -13.236 0.467 -11.520 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.342 -3.301 -10.013 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.110 -1.871 -9.002 1.00 0.00 H new ATOM 685 N PHE A 47 -12.010 2.798 -10.970 1.00 0.00 N ATOM 686 CA PHE A 47 -12.034 4.242 -10.603 1.00 0.00 C ATOM 687 C PHE A 47 -12.958 4.451 -9.401 1.00 0.00 C ATOM 688 O PHE A 47 -13.188 5.562 -8.969 1.00 0.00 O ATOM 689 CB PHE A 47 -12.546 5.063 -11.786 1.00 0.00 C ATOM 690 CG PHE A 47 -12.202 6.514 -11.565 1.00 0.00 C ATOM 691 CD1 PHE A 47 -10.974 7.017 -12.007 1.00 0.00 C ATOM 692 CD2 PHE A 47 -13.108 7.355 -10.911 1.00 0.00 C ATOM 693 CE1 PHE A 47 -10.652 8.362 -11.795 1.00 0.00 C ATOM 694 CE2 PHE A 47 -12.788 8.701 -10.699 1.00 0.00 C ATOM 695 CZ PHE A 47 -11.558 9.205 -11.142 1.00 0.00 C ATOM 0 H PHE A 47 -12.673 2.523 -11.694 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.025 4.565 -10.346 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.097 4.707 -12.713 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -13.625 4.944 -11.888 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.274 6.367 -12.512 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -14.056 6.965 -10.569 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.703 8.750 -12.136 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -13.488 9.350 -10.195 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.309 10.243 -10.980 1.00 0.00 H new ATOM 705 N ASN A 48 -13.488 3.390 -8.857 1.00 0.00 N ATOM 706 CA ASN A 48 -14.395 3.527 -7.681 1.00 0.00 C ATOM 707 C ASN A 48 -13.966 2.543 -6.590 1.00 0.00 C ATOM 708 O ASN A 48 -14.069 2.824 -5.413 1.00 0.00 O ATOM 709 CB ASN A 48 -15.833 3.222 -8.107 1.00 0.00 C ATOM 710 CG ASN A 48 -16.799 4.093 -7.302 1.00 0.00 C ATOM 711 OD1 ASN A 48 -17.030 5.237 -7.639 1.00 0.00 O ATOM 712 ND2 ASN A 48 -17.378 3.597 -6.242 1.00 0.00 N ATOM 0 H ASN A 48 -13.332 2.434 -9.176 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.339 4.545 -7.295 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.956 3.413 -9.173 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.056 2.167 -7.945 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.023 4.170 -5.698 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.185 2.637 -5.958 1.00 0.00 H new ATOM 719 N ASP A 49 -13.487 1.390 -6.971 1.00 0.00 N ATOM 720 CA ASP A 49 -13.053 0.392 -5.954 1.00 0.00 C ATOM 721 C ASP A 49 -11.795 0.896 -5.246 1.00 0.00 C ATOM 722 O ASP A 49 -11.321 0.296 -4.300 1.00 0.00 O ATOM 723 CB ASP A 49 -12.748 -0.939 -6.644 1.00 0.00 C ATOM 724 CG ASP A 49 -14.052 -1.576 -7.127 1.00 0.00 C ATOM 725 OD1 ASP A 49 -14.752 -0.937 -7.895 1.00 0.00 O ATOM 726 OD2 ASP A 49 -14.330 -2.693 -6.721 1.00 0.00 O ATOM 0 H ASP A 49 -13.378 1.097 -7.942 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.849 0.251 -5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.076 -0.778 -7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.238 -1.610 -5.953 1.00 0.00 H new ATOM 731 N VAL A 50 -11.245 1.992 -5.694 1.00 0.00 N ATOM 732 CA VAL A 50 -10.015 2.524 -5.042 1.00 0.00 C ATOM 733 C VAL A 50 -10.262 3.957 -4.563 1.00 0.00 C ATOM 734 O VAL A 50 -10.067 4.274 -3.409 1.00 0.00 O ATOM 735 CB VAL A 50 -8.859 2.511 -6.044 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.687 3.319 -5.485 1.00 0.00 C ATOM 737 CG2 VAL A 50 -8.412 1.068 -6.287 1.00 0.00 C ATOM 0 H VAL A 50 -11.593 2.540 -6.481 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.761 1.898 -4.187 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.189 2.954 -6.984 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.864 3.309 -6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.004 4.347 -5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.356 2.878 -4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.588 1.058 -7.001 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.083 0.626 -5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.246 0.491 -6.687 1.00 0.00 H new ATOM 747 N THR A 51 -10.684 4.828 -5.438 1.00 0.00 N ATOM 748 CA THR A 51 -10.934 6.237 -5.020 1.00 0.00 C ATOM 749 C THR A 51 -11.909 6.261 -3.841 1.00 0.00 C ATOM 750 O THR A 51 -11.975 7.219 -3.098 1.00 0.00 O ATOM 751 CB THR A 51 -11.530 7.023 -6.190 1.00 0.00 C ATOM 752 OG1 THR A 51 -12.511 6.228 -6.841 1.00 0.00 O ATOM 753 CG2 THR A 51 -10.421 7.384 -7.180 1.00 0.00 C ATOM 0 H THR A 51 -10.866 4.626 -6.421 1.00 0.00 H new ATOM 0 HA THR A 51 -9.991 6.693 -4.719 1.00 0.00 H new ATOM 0 HB THR A 51 -11.993 7.937 -5.818 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.298 6.163 -7.795 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.845 7.944 -8.013 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.670 7.994 -6.678 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.957 6.472 -7.555 1.00 0.00 H new ATOM 761 N THR A 52 -12.668 5.214 -3.663 1.00 0.00 N ATOM 762 CA THR A 52 -13.635 5.181 -2.533 1.00 0.00 C ATOM 763 C THR A 52 -12.980 4.516 -1.320 1.00 0.00 C ATOM 764 O THR A 52 -13.226 4.888 -0.190 1.00 0.00 O ATOM 765 CB THR A 52 -14.867 4.378 -2.944 1.00 0.00 C ATOM 766 OG1 THR A 52 -15.127 4.590 -4.325 1.00 0.00 O ATOM 767 CG2 THR A 52 -16.071 4.830 -2.121 1.00 0.00 C ATOM 0 H THR A 52 -12.659 4.381 -4.252 1.00 0.00 H new ATOM 0 HA THR A 52 -13.929 6.199 -2.277 1.00 0.00 H new ATOM 0 HB THR A 52 -14.687 3.318 -2.765 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.512 4.047 -4.861 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.949 4.256 -2.416 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.870 4.667 -1.062 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.255 5.890 -2.297 1.00 0.00 H new ATOM 775 N ARG A 53 -12.144 3.537 -1.543 1.00 0.00 N ATOM 776 CA ARG A 53 -11.475 2.857 -0.400 1.00 0.00 C ATOM 777 C ARG A 53 -10.555 3.855 0.300 1.00 0.00 C ATOM 778 O ARG A 53 -10.652 4.081 1.490 1.00 0.00 O ATOM 779 CB ARG A 53 -10.649 1.679 -0.916 1.00 0.00 C ATOM 780 CG ARG A 53 -11.254 0.368 -0.409 1.00 0.00 C ATOM 781 CD ARG A 53 -10.137 -0.542 0.107 1.00 0.00 C ATOM 782 NE ARG A 53 -10.502 -1.062 1.455 1.00 0.00 N ATOM 783 CZ ARG A 53 -10.998 -0.259 2.354 1.00 0.00 C ATOM 784 NH1 ARG A 53 -10.209 0.523 3.040 1.00 0.00 N ATOM 785 NH2 ARG A 53 -12.284 -0.235 2.567 1.00 0.00 N ATOM 0 H ARG A 53 -11.897 3.181 -2.466 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.225 2.490 0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.629 1.685 -2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.617 1.770 -0.578 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.971 0.569 0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.800 -0.128 -1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.980 -1.370 -0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.199 0.010 0.160 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.363 -2.048 1.675 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.203 0.506 2.873 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.599 1.151 3.743 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.901 -0.844 2.030 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.673 0.393 3.270 1.00 0.00 H new ATOM 799 N LEU A 54 -9.665 4.459 -0.435 1.00 0.00 N ATOM 800 CA LEU A 54 -8.738 5.448 0.174 1.00 0.00 C ATOM 801 C LEU A 54 -9.507 6.733 0.488 1.00 0.00 C ATOM 802 O LEU A 54 -8.977 7.657 1.075 1.00 0.00 O ATOM 803 CB LEU A 54 -7.607 5.754 -0.807 1.00 0.00 C ATOM 804 CG LEU A 54 -7.031 4.440 -1.332 1.00 0.00 C ATOM 805 CD1 LEU A 54 -6.238 4.703 -2.613 1.00 0.00 C ATOM 806 CD2 LEU A 54 -6.109 3.831 -0.276 1.00 0.00 C ATOM 0 H LEU A 54 -9.540 4.309 -1.436 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.318 5.041 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.980 6.358 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.828 6.335 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.845 3.748 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.828 3.765 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.896 5.136 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.424 5.396 -2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.697 2.893 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.296 4.524 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.675 3.641 0.636 1.00 0.00 H new ATOM 818 N ARG A 55 -10.754 6.801 0.103 1.00 0.00 N ATOM 819 CA ARG A 55 -11.554 8.025 0.380 1.00 0.00 C ATOM 820 C ARG A 55 -10.986 9.195 -0.424 1.00 0.00 C ATOM 821 O ARG A 55 -11.021 10.332 0.004 1.00 0.00 O ATOM 822 CB ARG A 55 -11.493 8.347 1.874 1.00 0.00 C ATOM 823 CG ARG A 55 -11.827 7.090 2.679 1.00 0.00 C ATOM 824 CD ARG A 55 -11.435 7.299 4.142 1.00 0.00 C ATOM 825 NE ARG A 55 -10.874 6.031 4.689 1.00 0.00 N ATOM 826 CZ ARG A 55 -10.091 6.060 5.733 1.00 0.00 C ATOM 827 NH1 ARG A 55 -10.602 6.149 6.930 1.00 0.00 N ATOM 828 NH2 ARG A 55 -8.796 5.997 5.580 1.00 0.00 N ATOM 0 H ARG A 55 -11.251 6.060 -0.391 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.591 7.857 0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.499 8.709 2.139 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.197 9.144 2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.892 6.871 2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.296 6.231 2.269 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.700 8.100 4.222 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.305 7.606 4.723 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.102 5.140 4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.614 6.196 7.050 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.990 6.172 7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.396 5.925 4.645 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.184 6.020 6.396 1.00 0.00 H new ATOM 842 N GLU A 56 -10.463 8.923 -1.586 1.00 0.00 N ATOM 843 CA GLU A 56 -9.892 10.014 -2.424 1.00 0.00 C ATOM 844 C GLU A 56 -10.638 10.071 -3.760 1.00 0.00 C ATOM 845 O GLU A 56 -11.679 9.468 -3.926 1.00 0.00 O ATOM 846 CB GLU A 56 -8.408 9.736 -2.676 1.00 0.00 C ATOM 847 CG GLU A 56 -7.567 10.437 -1.607 1.00 0.00 C ATOM 848 CD GLU A 56 -6.322 11.046 -2.254 1.00 0.00 C ATOM 849 OE1 GLU A 56 -5.673 10.348 -3.016 1.00 0.00 O ATOM 850 OE2 GLU A 56 -6.040 12.200 -1.979 1.00 0.00 O ATOM 0 H GLU A 56 -10.406 7.989 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.000 10.968 -1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.220 8.663 -2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.124 10.090 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.154 11.216 -1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.277 9.726 -0.834 1.00 0.00 H new ATOM 857 N ASN A 57 -10.114 10.794 -4.712 1.00 0.00 N ATOM 858 CA ASN A 57 -10.793 10.890 -6.035 1.00 0.00 C ATOM 859 C ASN A 57 -9.808 11.441 -7.067 1.00 0.00 C ATOM 860 O ASN A 57 -9.758 10.992 -8.195 1.00 0.00 O ATOM 861 CB ASN A 57 -11.996 11.829 -5.925 1.00 0.00 C ATOM 862 CG ASN A 57 -13.119 11.332 -6.837 1.00 0.00 C ATOM 863 OD1 ASN A 57 -13.490 11.999 -7.782 1.00 0.00 O ATOM 864 ND2 ASN A 57 -13.679 10.180 -6.592 1.00 0.00 N ATOM 0 H ASN A 57 -9.245 11.322 -4.631 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.134 9.902 -6.345 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.344 11.872 -4.893 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.707 12.842 -6.206 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.429 9.839 -7.194 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.367 9.620 -5.798 1.00 0.00 H new ATOM 871 N GLU A 58 -9.024 12.412 -6.688 1.00 0.00 N ATOM 872 CA GLU A 58 -8.039 12.993 -7.643 1.00 0.00 C ATOM 873 C GLU A 58 -6.738 12.191 -7.580 1.00 0.00 C ATOM 874 O GLU A 58 -5.754 12.632 -7.019 1.00 0.00 O ATOM 875 CB GLU A 58 -7.760 14.448 -7.261 1.00 0.00 C ATOM 876 CG GLU A 58 -8.297 15.375 -8.353 1.00 0.00 C ATOM 877 CD GLU A 58 -8.663 16.729 -7.739 1.00 0.00 C ATOM 878 OE1 GLU A 58 -9.699 16.806 -7.098 1.00 0.00 O ATOM 879 OE2 GLU A 58 -7.903 17.665 -7.921 1.00 0.00 O ATOM 0 H GLU A 58 -9.023 12.829 -5.757 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.443 12.953 -8.655 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.232 14.681 -6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.689 14.602 -7.133 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.547 15.508 -9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.172 14.929 -8.825 1.00 0.00 H new ATOM 886 N LEU A 59 -6.723 11.015 -8.146 1.00 0.00 N ATOM 887 CA LEU A 59 -5.483 10.190 -8.110 1.00 0.00 C ATOM 888 C LEU A 59 -5.388 9.341 -9.381 1.00 0.00 C ATOM 889 O LEU A 59 -6.329 9.233 -10.142 1.00 0.00 O ATOM 890 CB LEU A 59 -5.522 9.270 -6.887 1.00 0.00 C ATOM 891 CG LEU A 59 -6.877 8.563 -6.824 1.00 0.00 C ATOM 892 CD1 LEU A 59 -6.764 7.181 -7.469 1.00 0.00 C ATOM 893 CD2 LEU A 59 -7.304 8.409 -5.362 1.00 0.00 C ATOM 0 H LEU A 59 -7.514 10.591 -8.631 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.615 10.846 -8.050 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.719 8.535 -6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.359 9.849 -5.978 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.619 9.154 -7.361 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.730 6.678 -7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.460 7.289 -8.510 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.021 6.589 -6.934 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.270 7.905 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.561 7.819 -4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.386 9.393 -4.901 1.00 0.00 H new ATOM 905 N THR A 60 -4.256 8.733 -9.609 1.00 0.00 N ATOM 906 CA THR A 60 -4.091 7.883 -10.821 1.00 0.00 C ATOM 907 C THR A 60 -3.671 6.476 -10.388 1.00 0.00 C ATOM 908 O THR A 60 -2.540 6.070 -10.569 1.00 0.00 O ATOM 909 CB THR A 60 -3.012 8.486 -11.724 1.00 0.00 C ATOM 910 OG1 THR A 60 -2.190 9.357 -10.959 1.00 0.00 O ATOM 911 CG2 THR A 60 -3.671 9.270 -12.861 1.00 0.00 C ATOM 0 H THR A 60 -3.436 8.789 -9.005 1.00 0.00 H new ATOM 0 HA THR A 60 -5.032 7.834 -11.370 1.00 0.00 H new ATOM 0 HB THR A 60 -2.403 7.686 -12.145 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.497 9.743 -11.535 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.900 9.698 -13.502 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.300 8.601 -13.447 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.282 10.071 -12.444 1.00 0.00 H new ATOM 919 N TYR A 61 -4.573 5.735 -9.806 1.00 0.00 N ATOM 920 CA TYR A 61 -4.231 4.358 -9.345 1.00 0.00 C ATOM 921 C TYR A 61 -3.729 3.521 -10.525 1.00 0.00 C ATOM 922 O TYR A 61 -4.399 3.378 -11.528 1.00 0.00 O ATOM 923 CB TYR A 61 -5.476 3.701 -8.742 1.00 0.00 C ATOM 924 CG TYR A 61 -6.424 3.294 -9.847 1.00 0.00 C ATOM 925 CD1 TYR A 61 -7.310 4.231 -10.394 1.00 0.00 C ATOM 926 CD2 TYR A 61 -6.415 1.978 -10.326 1.00 0.00 C ATOM 927 CE1 TYR A 61 -8.186 3.851 -11.418 1.00 0.00 C ATOM 928 CE2 TYR A 61 -7.291 1.599 -11.351 1.00 0.00 C ATOM 929 CZ TYR A 61 -8.176 2.537 -11.897 1.00 0.00 C ATOM 930 OH TYR A 61 -9.039 2.164 -12.907 1.00 0.00 O ATOM 0 H TYR A 61 -5.535 6.024 -9.629 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.446 4.416 -8.591 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.190 2.828 -8.155 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.971 4.394 -8.062 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.317 5.246 -10.026 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.732 1.255 -9.905 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.870 4.573 -11.838 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.284 0.584 -11.720 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.902 1.218 -13.122 1.00 0.00 H new ATOM 940 N TYR A 62 -2.556 2.957 -10.407 1.00 0.00 N ATOM 941 CA TYR A 62 -2.018 2.122 -11.518 1.00 0.00 C ATOM 942 C TYR A 62 -1.711 0.716 -10.994 1.00 0.00 C ATOM 943 O TYR A 62 -0.730 0.498 -10.312 1.00 0.00 O ATOM 944 CB TYR A 62 -0.737 2.760 -12.059 1.00 0.00 C ATOM 945 CG TYR A 62 -0.126 1.855 -13.099 1.00 0.00 C ATOM 946 CD1 TYR A 62 -0.698 1.767 -14.373 1.00 0.00 C ATOM 947 CD2 TYR A 62 1.015 1.104 -12.790 1.00 0.00 C ATOM 948 CE1 TYR A 62 -0.130 0.929 -15.339 1.00 0.00 C ATOM 949 CE2 TYR A 62 1.582 0.265 -13.756 1.00 0.00 C ATOM 950 CZ TYR A 62 1.009 0.177 -15.031 1.00 0.00 C ATOM 951 OH TYR A 62 1.569 -0.648 -15.985 1.00 0.00 O ATOM 0 H TYR A 62 -1.949 3.039 -9.591 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.756 2.057 -12.318 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.959 3.734 -12.494 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.030 2.927 -11.246 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.578 2.346 -14.611 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.457 1.172 -11.807 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.571 0.863 -16.323 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.462 -0.315 -13.518 1.00 0.00 H new ATOM 0 HH TYR A 62 2.354 -1.097 -15.609 1.00 0.00 H new ATOM 961 N CYS A 63 -2.546 -0.239 -11.306 1.00 0.00 N ATOM 962 CA CYS A 63 -2.303 -1.629 -10.823 1.00 0.00 C ATOM 963 C CYS A 63 -1.161 -2.257 -11.623 1.00 0.00 C ATOM 964 O CYS A 63 -0.903 -1.885 -12.751 1.00 0.00 O ATOM 965 CB CYS A 63 -3.576 -2.462 -11.001 1.00 0.00 C ATOM 966 SG CYS A 63 -5.026 -1.445 -10.620 1.00 0.00 S ATOM 0 H CYS A 63 -3.385 -0.117 -11.874 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.032 -1.604 -9.768 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.639 -2.834 -12.023 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.548 -3.333 -10.346 1.00 0.00 H new ATOM 971 N CYS A 64 -0.470 -3.204 -11.048 1.00 0.00 N ATOM 972 CA CYS A 64 0.659 -3.850 -11.780 1.00 0.00 C ATOM 973 C CYS A 64 0.808 -5.304 -11.331 1.00 0.00 C ATOM 974 O CYS A 64 -0.015 -5.832 -10.608 1.00 0.00 O ATOM 975 CB CYS A 64 1.956 -3.093 -11.487 1.00 0.00 C ATOM 976 SG CYS A 64 3.023 -3.138 -12.949 1.00 0.00 S ATOM 0 H CYS A 64 -0.637 -3.558 -10.106 1.00 0.00 H new ATOM 0 HA CYS A 64 0.452 -3.824 -12.850 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.734 -2.061 -11.217 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.468 -3.542 -10.636 1.00 0.00 H new ATOM 981 N LYS A 65 1.856 -5.956 -11.758 1.00 0.00 N ATOM 982 CA LYS A 65 2.069 -7.376 -11.363 1.00 0.00 C ATOM 983 C LYS A 65 3.514 -7.771 -11.673 1.00 0.00 C ATOM 984 O LYS A 65 3.780 -8.846 -12.173 1.00 0.00 O ATOM 985 CB LYS A 65 1.114 -8.271 -12.158 1.00 0.00 C ATOM 986 CG LYS A 65 0.636 -9.425 -11.276 1.00 0.00 C ATOM 987 CD LYS A 65 -0.502 -10.168 -11.980 1.00 0.00 C ATOM 988 CE LYS A 65 -1.672 -9.210 -12.211 1.00 0.00 C ATOM 989 NZ LYS A 65 -2.884 -9.989 -12.590 1.00 0.00 N ATOM 0 H LYS A 65 2.575 -5.564 -12.365 1.00 0.00 H new ATOM 0 HA LYS A 65 1.877 -7.496 -10.297 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.261 -7.689 -12.507 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.617 -8.661 -13.043 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.461 -10.108 -11.074 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.295 -9.044 -10.313 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.154 -10.570 -12.932 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.826 -11.015 -11.376 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.866 -8.632 -11.308 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.423 -8.498 -12.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.680 -9.338 -12.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.695 -10.522 -13.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.124 -10.651 -11.825 1.00 0.00 H new ATOM 1003 N LYS A 66 4.453 -6.908 -11.384 1.00 0.00 N ATOM 1004 CA LYS A 66 5.877 -7.238 -11.671 1.00 0.00 C ATOM 1005 C LYS A 66 6.736 -6.964 -10.431 1.00 0.00 C ATOM 1006 O LYS A 66 6.332 -6.263 -9.526 1.00 0.00 O ATOM 1007 CB LYS A 66 6.375 -6.379 -12.835 1.00 0.00 C ATOM 1008 CG LYS A 66 6.671 -7.273 -14.040 1.00 0.00 C ATOM 1009 CD LYS A 66 5.799 -6.841 -15.220 1.00 0.00 C ATOM 1010 CE LYS A 66 6.312 -5.508 -15.772 1.00 0.00 C ATOM 1011 NZ LYS A 66 5.515 -5.128 -16.970 1.00 0.00 N ATOM 0 H LYS A 66 4.294 -5.993 -10.963 1.00 0.00 H new ATOM 0 HA LYS A 66 5.954 -8.293 -11.935 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.624 -5.634 -13.098 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.274 -5.837 -12.542 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.725 -7.203 -14.308 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.474 -8.316 -13.790 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.820 -7.602 -16.000 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.761 -6.740 -14.902 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.235 -4.733 -15.010 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.366 -5.593 -16.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.863 -4.223 -17.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.610 -5.864 -17.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.514 -5.031 -16.705 1.00 0.00 H new ATOM 1025 N ASP A 67 7.916 -7.521 -10.389 1.00 0.00 N ATOM 1026 CA ASP A 67 8.809 -7.306 -9.214 1.00 0.00 C ATOM 1027 C ASP A 67 8.991 -5.808 -8.956 1.00 0.00 C ATOM 1028 O ASP A 67 9.546 -5.087 -9.762 1.00 0.00 O ATOM 1029 CB ASP A 67 10.174 -7.936 -9.493 1.00 0.00 C ATOM 1030 CG ASP A 67 10.798 -7.275 -10.723 1.00 0.00 C ATOM 1031 OD1 ASP A 67 10.453 -7.670 -11.824 1.00 0.00 O ATOM 1032 OD2 ASP A 67 11.611 -6.382 -10.542 1.00 0.00 O ATOM 0 H ASP A 67 8.302 -8.118 -11.121 1.00 0.00 H new ATOM 0 HA ASP A 67 8.357 -7.768 -8.336 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.827 -7.812 -8.629 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.065 -9.008 -9.659 1.00 0.00 H new ATOM 1037 N LEU A 68 8.534 -5.339 -7.828 1.00 0.00 N ATOM 1038 CA LEU A 68 8.679 -3.895 -7.493 1.00 0.00 C ATOM 1039 C LEU A 68 8.183 -3.033 -8.652 1.00 0.00 C ATOM 1040 O LEU A 68 8.842 -2.101 -9.068 1.00 0.00 O ATOM 1041 CB LEU A 68 10.151 -3.577 -7.222 1.00 0.00 C ATOM 1042 CG LEU A 68 10.753 -4.654 -6.319 1.00 0.00 C ATOM 1043 CD1 LEU A 68 12.272 -4.680 -6.499 1.00 0.00 C ATOM 1044 CD2 LEU A 68 10.419 -4.339 -4.860 1.00 0.00 C ATOM 0 H LEU A 68 8.062 -5.899 -7.118 1.00 0.00 H new ATOM 0 HA LEU A 68 8.085 -3.678 -6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.701 -3.527 -8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.241 -2.600 -6.748 1.00 0.00 H new ATOM 0 HG LEU A 68 10.339 -5.626 -6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 68 12.702 -5.448 -5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.511 -4.903 -7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 68 12.687 -3.708 -6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 68 10.848 -5.106 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.834 -3.367 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.337 -4.319 -4.731 1.00 0.00 H new ATOM 1056 N CYS A 69 7.025 -3.326 -9.177 1.00 0.00 N ATOM 1057 CA CYS A 69 6.500 -2.505 -10.306 1.00 0.00 C ATOM 1058 C CYS A 69 6.077 -1.131 -9.780 1.00 0.00 C ATOM 1059 O CYS A 69 6.019 -0.166 -10.515 1.00 0.00 O ATOM 1060 CB CYS A 69 5.292 -3.200 -10.940 1.00 0.00 C ATOM 1061 SG CYS A 69 4.722 -2.223 -12.355 1.00 0.00 S ATOM 0 H CYS A 69 6.423 -4.092 -8.876 1.00 0.00 H new ATOM 0 HA CYS A 69 7.281 -2.388 -11.058 1.00 0.00 H new ATOM 0 HB2 CYS A 69 5.563 -4.206 -11.262 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.491 -3.304 -10.208 1.00 0.00 H new ATOM 1066 N ASN A 70 5.781 -1.034 -8.512 1.00 0.00 N ATOM 1067 CA ASN A 70 5.363 0.280 -7.946 1.00 0.00 C ATOM 1068 C ASN A 70 6.588 1.010 -7.390 1.00 0.00 C ATOM 1069 O ASN A 70 6.722 1.202 -6.198 1.00 0.00 O ATOM 1070 CB ASN A 70 4.351 0.050 -6.820 1.00 0.00 C ATOM 1071 CG ASN A 70 5.024 -0.704 -5.672 1.00 0.00 C ATOM 1072 OD1 ASN A 70 6.059 -1.314 -5.854 1.00 0.00 O ATOM 1073 ND2 ASN A 70 4.474 -0.689 -4.489 1.00 0.00 N ATOM 0 H ASN A 70 5.810 -1.806 -7.846 1.00 0.00 H new ATOM 0 HA ASN A 70 4.905 0.884 -8.729 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.964 1.005 -6.464 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.500 -0.519 -7.193 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.913 -1.190 -3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.605 -0.177 -4.337 1.00 0.00 H new ATOM 1080 N PHE A 71 7.483 1.420 -8.247 1.00 0.00 N ATOM 1081 CA PHE A 71 8.699 2.139 -7.769 1.00 0.00 C ATOM 1082 C PHE A 71 8.534 3.639 -8.018 1.00 0.00 C ATOM 1083 O PHE A 71 9.485 4.341 -8.301 1.00 0.00 O ATOM 1084 CB PHE A 71 9.927 1.628 -8.529 1.00 0.00 C ATOM 1085 CG PHE A 71 9.548 1.348 -9.964 1.00 0.00 C ATOM 1086 CD1 PHE A 71 8.968 2.356 -10.744 1.00 0.00 C ATOM 1087 CD2 PHE A 71 9.774 0.081 -10.514 1.00 0.00 C ATOM 1088 CE1 PHE A 71 8.613 2.096 -12.073 1.00 0.00 C ATOM 1089 CE2 PHE A 71 9.419 -0.179 -11.842 1.00 0.00 C ATOM 1090 CZ PHE A 71 8.838 0.828 -12.622 1.00 0.00 C ATOM 0 H PHE A 71 7.425 1.288 -9.257 1.00 0.00 H new ATOM 0 HA PHE A 71 8.831 1.959 -6.702 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.726 2.368 -8.490 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.308 0.722 -8.059 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.795 3.334 -10.320 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.223 -0.696 -9.913 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.166 2.873 -12.675 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.593 -1.157 -12.266 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.563 0.627 -13.647 1.00 0.00 H new ATOM 1100 N ASN A 72 7.332 4.134 -7.917 1.00 0.00 N ATOM 1101 CA ASN A 72 7.099 5.588 -8.149 1.00 0.00 C ATOM 1102 C ASN A 72 7.877 6.040 -9.388 1.00 0.00 C ATOM 1103 O ASN A 72 8.890 6.703 -9.289 1.00 0.00 O ATOM 1104 CB ASN A 72 7.570 6.389 -6.930 1.00 0.00 C ATOM 1105 CG ASN A 72 7.427 5.537 -5.666 1.00 0.00 C ATOM 1106 OD1 ASN A 72 6.611 4.638 -5.615 1.00 0.00 O ATOM 1107 ND2 ASN A 72 8.191 5.783 -4.637 1.00 0.00 N ATOM 0 H ASN A 72 6.499 3.594 -7.683 1.00 0.00 H new ATOM 0 HA ASN A 72 6.034 5.761 -8.304 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.609 6.691 -7.061 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.982 7.302 -6.833 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.103 5.221 -3.790 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.876 6.537 -4.679 1.00 0.00 H new ATOM 1114 N GLU A 73 7.408 5.687 -10.554 1.00 0.00 N ATOM 1115 CA GLU A 73 8.118 6.094 -11.798 1.00 0.00 C ATOM 1116 C GLU A 73 7.465 5.414 -13.002 1.00 0.00 C ATOM 1117 O GLU A 73 8.126 5.035 -13.948 1.00 0.00 O ATOM 1118 CB GLU A 73 9.587 5.671 -11.707 1.00 0.00 C ATOM 1119 CG GLU A 73 10.483 6.843 -12.110 1.00 0.00 C ATOM 1120 CD GLU A 73 11.950 6.448 -11.930 1.00 0.00 C ATOM 1121 OE1 GLU A 73 12.429 6.518 -10.810 1.00 0.00 O ATOM 1122 OE2 GLU A 73 12.570 6.083 -12.914 1.00 0.00 O ATOM 0 H GLU A 73 6.563 5.134 -10.698 1.00 0.00 H new ATOM 0 HA GLU A 73 8.058 7.176 -11.915 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.822 5.352 -10.691 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.772 4.818 -12.360 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.294 7.119 -13.147 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.253 7.717 -11.501 1.00 0.00 H new ATOM 1129 N GLN A 74 6.170 5.254 -12.975 1.00 0.00 N ATOM 1130 CA GLN A 74 5.475 4.597 -14.119 1.00 0.00 C ATOM 1131 C GLN A 74 4.645 5.634 -14.879 1.00 0.00 C ATOM 1132 O GLN A 74 5.023 6.087 -15.941 1.00 0.00 O ATOM 1133 CB GLN A 74 4.554 3.493 -13.592 1.00 0.00 C ATOM 1134 CG GLN A 74 5.286 2.150 -13.641 1.00 0.00 C ATOM 1135 CD GLN A 74 5.503 1.738 -15.098 1.00 0.00 C ATOM 1136 OE1 GLN A 74 5.369 2.545 -15.997 1.00 0.00 O ATOM 1137 NE2 GLN A 74 5.834 0.505 -15.373 1.00 0.00 N ATOM 0 H GLN A 74 5.563 5.550 -12.210 1.00 0.00 H new ATOM 0 HA GLN A 74 6.216 4.163 -14.791 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.250 3.716 -12.569 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.645 3.446 -14.192 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.244 2.228 -13.128 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.706 1.389 -13.120 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.947 -0.173 -14.619 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.980 0.220 -16.341 1.00 0.00 H new ATOM 1146 N LEU A 75 3.516 6.013 -14.344 1.00 0.00 N ATOM 1147 CA LEU A 75 2.664 7.021 -15.038 1.00 0.00 C ATOM 1148 C LEU A 75 3.466 8.305 -15.253 1.00 0.00 C ATOM 1149 O LEU A 75 3.266 9.021 -16.214 1.00 0.00 O ATOM 1150 CB LEU A 75 1.434 7.325 -14.178 1.00 0.00 C ATOM 1151 CG LEU A 75 0.730 6.018 -13.814 1.00 0.00 C ATOM 1152 CD1 LEU A 75 0.938 5.722 -12.328 1.00 0.00 C ATOM 1153 CD2 LEU A 75 -0.768 6.149 -14.099 1.00 0.00 C ATOM 0 H LEU A 75 3.147 5.669 -13.458 1.00 0.00 H new ATOM 0 HA LEU A 75 2.345 6.627 -16.003 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.732 7.854 -13.273 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.751 7.979 -14.720 1.00 0.00 H new ATOM 0 HG LEU A 75 1.146 5.205 -14.409 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.436 4.790 -12.069 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.004 5.629 -12.121 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.522 6.535 -11.733 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.271 5.217 -13.840 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.182 6.963 -13.503 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.920 6.361 -15.157 1.00 0.00 H new