USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 562 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 39 GLN : amide:sc= 2.82 K(o=5.6,f=-3.1) USER MOD Set 1.2: A 41 GLN : amide:sc= 1.75 K(o=5.6,f=-6.2!) USER MOD Set 1.3: A 50 GLN : amide:sc= 1.03 K(o=5.6,f=0.023!) USER MOD Set 2.1: A 29 GLN : amide:sc= 0.693 K(o=1.8,f=-4.2) USER MOD Set 2.2: A 64 LYS NZ :NH3+ 165:sc= 1.07 (180deg=-0.14) USER MOD Set 3.1: A 1 GLY N :NH3+ 168:sc= -2.36 (180deg=-2.71!) USER MOD Set 3.2: A 52 THR OG1 : rot 180:sc= 0.00291 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0608 USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0506) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0467 USER MOD Single : A 18 HIS : no HE2:sc= 0.991 K(o=0.99,f=-3.9!) USER MOD Single : A 20 SER OG : rot -72:sc= 1.73 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 69:sc= 0.645 USER MOD Single : A 27 GLN : amide:sc= -0.697! X(o=-0.7!,f=-0.4) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 33 THR OG1 : rot 97:sc= 0.492 USER MOD Single : A 35 HIS : no HE2:sc= 1.99 K(o=2,f=-8!) USER MOD Single : A 37 SER OG : rot 87:sc= 0.927 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 1.28 K(o=1.3,f=-0.52) USER MOD Single : A 51 GLN : amide:sc= -0.0205 X(o=-0.021,f=0) USER MOD Single : A 55 HIS : no HE2:sc= 0.266 K(o=0.27,f=-2.5!) USER MOD Single : A 57 GLN : amide:sc= 0.549 K(o=0.55,f=-4.9!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0266) USER MOD Single : A 71 HIS : no HE2:sc= 1.02 K(o=1,f=-3.6!) USER MOD Single : A 73 HIS : no HE2:sc= 0.712 K(o=0.71,f=-3.3!) USER MOD Single : A 79 SER OG : rot 64:sc= 0.419 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.922 -32.830 -6.851 1.00 10.00 N ATOM 2 CA GLY A 1 -7.903 -33.797 -7.217 1.00 10.00 C ATOM 3 C GLY A 1 -7.499 -33.607 -8.678 1.00 10.00 C ATOM 4 O GLY A 1 -7.514 -34.553 -9.462 1.00 10.00 O ATOM 0 H1 GLY A 1 -9.334 -33.091 -5.933 1.00 10.00 H new ATOM 0 H2 GLY A 1 -8.495 -31.884 -6.783 1.00 10.00 H new ATOM 0 H3 GLY A 1 -9.668 -32.821 -7.575 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -7.032 -33.680 -6.573 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -8.279 -34.809 -7.064 1.00 10.00 H new ATOM 8 N VAL A 2 -7.145 -32.371 -9.032 1.00 10.00 N ATOM 9 CA VAL A 2 -6.717 -31.967 -10.363 1.00 10.00 C ATOM 10 C VAL A 2 -5.580 -30.956 -10.206 1.00 10.00 C ATOM 11 O VAL A 2 -5.267 -30.542 -9.088 1.00 10.00 O ATOM 12 CB VAL A 2 -7.899 -31.390 -11.169 1.00 10.00 C ATOM 13 CG1 VAL A 2 -8.977 -32.451 -11.425 1.00 10.00 C ATOM 14 CG2 VAL A 2 -8.536 -30.173 -10.486 1.00 10.00 C ATOM 0 H VAL A 2 -7.150 -31.596 -8.369 1.00 10.00 H new ATOM 0 HA VAL A 2 -6.357 -32.828 -10.926 1.00 10.00 H new ATOM 0 HB VAL A 2 -7.481 -31.066 -12.122 1.00 10.00 H new ATOM 0 HG11 VAL A 2 -9.794 -32.009 -11.995 1.00 10.00 H new ATOM 0 HG12 VAL A 2 -8.547 -33.278 -11.989 1.00 10.00 H new ATOM 0 HG13 VAL A 2 -9.357 -32.820 -10.473 1.00 10.00 H new ATOM 0 HG21 VAL A 2 -9.363 -29.806 -11.094 1.00 10.00 H new ATOM 0 HG22 VAL A 2 -8.909 -30.461 -9.503 1.00 10.00 H new ATOM 0 HG23 VAL A 2 -7.790 -29.386 -10.375 1.00 10.00 H new ATOM 24 N THR A 3 -4.964 -30.538 -11.314 1.00 10.00 N ATOM 25 CA THR A 3 -3.856 -29.596 -11.329 1.00 10.00 C ATOM 26 C THR A 3 -4.334 -28.164 -11.057 1.00 10.00 C ATOM 27 O THR A 3 -4.163 -27.283 -11.897 1.00 10.00 O ATOM 28 CB THR A 3 -3.159 -29.723 -12.690 1.00 10.00 C ATOM 29 OG1 THR A 3 -4.138 -29.625 -13.705 1.00 10.00 O ATOM 30 CG2 THR A 3 -2.451 -31.074 -12.830 1.00 10.00 C ATOM 0 H THR A 3 -5.233 -30.856 -12.245 1.00 10.00 H new ATOM 0 HA THR A 3 -3.150 -29.828 -10.532 1.00 10.00 H new ATOM 0 HB THR A 3 -2.416 -28.930 -12.774 1.00 10.00 H new ATOM 0 HG1 THR A 3 -3.708 -29.703 -14.582 1.00 10.00 H new ATOM 0 HG21 THR A 3 -1.967 -31.132 -13.805 1.00 10.00 H new ATOM 0 HG22 THR A 3 -1.700 -31.174 -12.046 1.00 10.00 H new ATOM 0 HG23 THR A 3 -3.181 -31.878 -12.739 1.00 10.00 H new ATOM 38 N LYS A 4 -4.924 -27.934 -9.882 1.00 10.00 N ATOM 39 CA LYS A 4 -5.392 -26.630 -9.432 1.00 10.00 C ATOM 40 C LYS A 4 -4.286 -25.992 -8.591 1.00 10.00 C ATOM 41 O LYS A 4 -3.962 -24.814 -8.756 1.00 10.00 O ATOM 42 CB LYS A 4 -6.711 -26.803 -8.662 1.00 10.00 C ATOM 43 CG LYS A 4 -7.366 -25.473 -8.252 1.00 10.00 C ATOM 44 CD LYS A 4 -6.934 -25.018 -6.850 1.00 10.00 C ATOM 45 CE LYS A 4 -7.646 -23.730 -6.419 1.00 10.00 C ATOM 46 NZ LYS A 4 -7.283 -22.587 -7.274 1.00 10.00 N ATOM 0 H LYS A 4 -5.092 -28.674 -9.201 1.00 10.00 H new ATOM 0 HA LYS A 4 -5.602 -25.964 -10.269 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -7.410 -27.367 -9.279 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -6.524 -27.397 -7.767 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -7.105 -24.703 -8.978 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -8.450 -25.581 -8.278 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -7.148 -25.808 -6.131 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -5.856 -24.858 -6.837 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -8.725 -23.882 -6.456 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -7.391 -23.504 -5.384 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -7.690 -21.715 -6.880 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -6.248 -22.498 -7.314 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -7.654 -22.739 -8.233 1.00 10.00 H new ATOM 60 N GLU A 5 -3.678 -26.780 -7.697 1.00 10.00 N ATOM 61 CA GLU A 5 -2.598 -26.325 -6.835 1.00 10.00 C ATOM 62 C GLU A 5 -1.266 -26.260 -7.591 1.00 10.00 C ATOM 63 O GLU A 5 -0.255 -26.775 -7.116 1.00 10.00 O ATOM 64 CB GLU A 5 -2.496 -27.217 -5.586 1.00 10.00 C ATOM 65 CG GLU A 5 -3.801 -27.316 -4.781 1.00 10.00 C ATOM 66 CD GLU A 5 -4.331 -25.970 -4.291 1.00 10.00 C ATOM 67 OE1 GLU A 5 -3.505 -25.057 -4.076 1.00 10.00 O ATOM 68 OE2 GLU A 5 -5.570 -25.877 -4.147 1.00 10.00 O ATOM 0 H GLU A 5 -3.929 -27.758 -7.556 1.00 10.00 H new ATOM 0 HA GLU A 5 -2.828 -25.311 -6.509 1.00 10.00 H new ATOM 0 HB2 GLU A 5 -2.192 -28.218 -5.891 1.00 10.00 H new ATOM 0 HB3 GLU A 5 -1.710 -26.829 -4.938 1.00 10.00 H new ATOM 0 HG2 GLU A 5 -4.562 -27.792 -5.399 1.00 10.00 H new ATOM 0 HG3 GLU A 5 -3.637 -27.966 -3.921 1.00 10.00 H new ATOM 75 N ILE A 6 -1.242 -25.601 -8.753 1.00 10.00 N ATOM 76 CA ILE A 6 -0.030 -25.432 -9.546 1.00 10.00 C ATOM 77 C ILE A 6 0.834 -24.322 -8.945 1.00 10.00 C ATOM 78 O ILE A 6 1.128 -23.312 -9.584 1.00 10.00 O ATOM 79 CB ILE A 6 -0.349 -25.232 -11.042 1.00 10.00 C ATOM 80 CG1 ILE A 6 -1.430 -24.165 -11.298 1.00 10.00 C ATOM 81 CG2 ILE A 6 -0.753 -26.587 -11.632 1.00 10.00 C ATOM 82 CD1 ILE A 6 -1.518 -23.759 -12.771 1.00 10.00 C ATOM 0 H ILE A 6 -2.068 -25.170 -9.168 1.00 10.00 H new ATOM 0 HA ILE A 6 0.557 -26.349 -9.505 1.00 10.00 H new ATOM 0 HB ILE A 6 0.546 -24.853 -11.536 1.00 10.00 H new ATOM 0 HG12 ILE A 6 -2.397 -24.547 -10.972 1.00 10.00 H new ATOM 0 HG13 ILE A 6 -1.216 -23.283 -10.694 1.00 10.00 H new ATOM 0 HG21 ILE A 6 -0.983 -26.469 -12.691 1.00 10.00 H new ATOM 0 HG22 ILE A 6 0.069 -27.294 -11.516 1.00 10.00 H new ATOM 0 HG23 ILE A 6 -1.632 -26.964 -11.109 1.00 10.00 H new ATOM 0 HD11 ILE A 6 -2.295 -23.005 -12.895 1.00 10.00 H new ATOM 0 HD12 ILE A 6 -0.561 -23.350 -13.093 1.00 10.00 H new ATOM 0 HD13 ILE A 6 -1.761 -24.633 -13.375 1.00 10.00 H new ATOM 94 N ARG A 7 1.272 -24.525 -7.704 1.00 10.00 N ATOM 95 CA ARG A 7 2.144 -23.593 -7.014 1.00 10.00 C ATOM 96 C ARG A 7 3.571 -23.820 -7.511 1.00 10.00 C ATOM 97 O ARG A 7 4.405 -24.370 -6.794 1.00 10.00 O ATOM 98 CB ARG A 7 2.001 -23.745 -5.493 1.00 10.00 C ATOM 99 CG ARG A 7 0.590 -23.444 -4.957 1.00 10.00 C ATOM 100 CD ARG A 7 0.052 -22.061 -5.364 1.00 10.00 C ATOM 101 NE ARG A 7 -0.610 -22.099 -6.679 1.00 10.00 N ATOM 102 CZ ARG A 7 -1.847 -22.563 -6.908 1.00 10.00 C ATOM 103 NH1 ARG A 7 -2.644 -22.902 -5.891 1.00 10.00 N ATOM 104 NH2 ARG A 7 -2.275 -22.705 -8.165 1.00 10.00 N ATOM 0 H ARG A 7 1.027 -25.347 -7.151 1.00 10.00 H new ATOM 0 HA ARG A 7 1.866 -22.562 -7.234 1.00 10.00 H new ATOM 0 HB2 ARG A 7 2.274 -24.763 -5.214 1.00 10.00 H new ATOM 0 HB3 ARG A 7 2.712 -23.079 -5.004 1.00 10.00 H new ATOM 0 HG2 ARG A 7 -0.096 -24.211 -5.317 1.00 10.00 H new ATOM 0 HG3 ARG A 7 0.603 -23.513 -3.869 1.00 10.00 H new ATOM 0 HD2 ARG A 7 -0.654 -21.709 -4.611 1.00 10.00 H new ATOM 0 HD3 ARG A 7 0.873 -21.345 -5.391 1.00 10.00 H new ATOM 0 HE ARG A 7 -0.086 -21.744 -7.479 1.00 10.00 H new ATOM 0 HH11 ARG A 7 -2.313 -22.809 -4.931 1.00 10.00 H new ATOM 0 HH12 ARG A 7 -3.584 -23.254 -6.075 1.00 10.00 H new ATOM 0 HH21 ARG A 7 -1.662 -22.461 -8.943 1.00 10.00 H new ATOM 0 HH22 ARG A 7 -3.215 -23.057 -8.347 1.00 10.00 H new ATOM 118 N ILE A 8 3.822 -23.404 -8.758 1.00 10.00 N ATOM 119 CA ILE A 8 5.119 -23.476 -9.432 1.00 10.00 C ATOM 120 C ILE A 8 6.216 -23.052 -8.437 1.00 10.00 C ATOM 121 O ILE A 8 6.015 -22.066 -7.724 1.00 10.00 O ATOM 122 CB ILE A 8 5.087 -22.567 -10.682 1.00 10.00 C ATOM 123 CG1 ILE A 8 4.110 -23.146 -11.726 1.00 10.00 C ATOM 124 CG2 ILE A 8 6.473 -22.377 -11.323 1.00 10.00 C ATOM 125 CD1 ILE A 8 3.879 -22.216 -12.921 1.00 10.00 C ATOM 0 H ILE A 8 3.097 -22.992 -9.346 1.00 10.00 H new ATOM 0 HA ILE A 8 5.336 -24.491 -9.763 1.00 10.00 H new ATOM 0 HB ILE A 8 4.750 -21.585 -10.349 1.00 10.00 H new ATOM 0 HG12 ILE A 8 4.497 -24.099 -12.086 1.00 10.00 H new ATOM 0 HG13 ILE A 8 3.154 -23.351 -11.244 1.00 10.00 H new ATOM 0 HG21 ILE A 8 6.385 -21.730 -12.195 1.00 10.00 H new ATOM 0 HG22 ILE A 8 7.149 -21.921 -10.600 1.00 10.00 H new ATOM 0 HG23 ILE A 8 6.868 -23.346 -11.629 1.00 10.00 H new ATOM 0 HD11 ILE A 8 3.182 -22.684 -13.617 1.00 10.00 H new ATOM 0 HD12 ILE A 8 3.463 -21.271 -12.572 1.00 10.00 H new ATOM 0 HD13 ILE A 8 4.827 -22.031 -13.426 1.00 10.00 H new ATOM 137 N PRO A 9 7.350 -23.772 -8.348 1.00 10.00 N ATOM 138 CA PRO A 9 8.411 -23.501 -7.383 1.00 10.00 C ATOM 139 C PRO A 9 9.193 -22.209 -7.665 1.00 10.00 C ATOM 140 O PRO A 9 10.410 -22.212 -7.855 1.00 10.00 O ATOM 141 CB PRO A 9 9.290 -24.757 -7.393 1.00 10.00 C ATOM 142 CG PRO A 9 9.143 -25.258 -8.827 1.00 10.00 C ATOM 143 CD PRO A 9 7.675 -24.958 -9.126 1.00 10.00 C ATOM 0 HA PRO A 9 7.997 -23.310 -6.393 1.00 10.00 H new ATOM 0 HB2 PRO A 9 10.327 -24.527 -7.149 1.00 10.00 H new ATOM 0 HB3 PRO A 9 8.948 -25.496 -6.669 1.00 10.00 H new ATOM 0 HG2 PRO A 9 9.812 -24.736 -9.511 1.00 10.00 H new ATOM 0 HG3 PRO A 9 9.366 -26.322 -8.911 1.00 10.00 H new ATOM 0 HD2 PRO A 9 7.520 -24.783 -10.191 1.00 10.00 H new ATOM 0 HD3 PRO A 9 7.039 -25.797 -8.845 1.00 10.00 H new ATOM 151 N THR A 10 8.513 -21.067 -7.629 1.00 10.00 N ATOM 152 CA THR A 10 9.111 -19.747 -7.753 1.00 10.00 C ATOM 153 C THR A 10 8.325 -18.864 -6.788 1.00 10.00 C ATOM 154 O THR A 10 7.799 -17.814 -7.147 1.00 10.00 O ATOM 155 CB THR A 10 9.059 -19.305 -9.222 1.00 10.00 C ATOM 156 OG1 THR A 10 9.583 -20.347 -10.025 1.00 10.00 O ATOM 157 CG2 THR A 10 9.896 -18.048 -9.474 1.00 10.00 C ATOM 0 H THR A 10 7.501 -21.037 -7.509 1.00 10.00 H new ATOM 0 HA THR A 10 10.168 -19.702 -7.489 1.00 10.00 H new ATOM 0 HB THR A 10 8.021 -19.083 -9.468 1.00 10.00 H new ATOM 0 HG1 THR A 10 9.555 -20.079 -10.967 1.00 10.00 H new ATOM 0 HG21 THR A 10 9.830 -17.772 -10.526 1.00 10.00 H new ATOM 0 HG22 THR A 10 9.519 -17.230 -8.860 1.00 10.00 H new ATOM 0 HG23 THR A 10 10.936 -18.246 -9.216 1.00 10.00 H new ATOM 165 N LEU A 11 8.278 -19.311 -5.530 1.00 10.00 N ATOM 166 CA LEU A 11 7.555 -18.692 -4.436 1.00 10.00 C ATOM 167 C LEU A 11 8.409 -18.813 -3.173 1.00 10.00 C ATOM 168 O LEU A 11 9.257 -19.703 -3.078 1.00 10.00 O ATOM 169 CB LEU A 11 6.205 -19.404 -4.228 1.00 10.00 C ATOM 170 CG LEU A 11 5.269 -19.459 -5.454 1.00 10.00 C ATOM 171 CD1 LEU A 11 4.071 -20.362 -5.155 1.00 10.00 C ATOM 172 CD2 LEU A 11 4.715 -18.091 -5.865 1.00 10.00 C ATOM 0 H LEU A 11 8.770 -20.157 -5.242 1.00 10.00 H new ATOM 0 HA LEU A 11 7.359 -17.643 -4.660 1.00 10.00 H new ATOM 0 HB2 LEU A 11 6.403 -20.425 -3.901 1.00 10.00 H new ATOM 0 HB3 LEU A 11 5.676 -18.906 -3.415 1.00 10.00 H new ATOM 0 HG LEU A 11 5.879 -19.842 -6.272 1.00 10.00 H new ATOM 0 HD11 LEU A 11 3.415 -20.396 -6.025 1.00 10.00 H new ATOM 0 HD12 LEU A 11 4.422 -21.368 -4.926 1.00 10.00 H new ATOM 0 HD13 LEU A 11 3.521 -19.966 -4.301 1.00 10.00 H new ATOM 0 HD21 LEU A 11 4.066 -18.207 -6.733 1.00 10.00 H new ATOM 0 HD22 LEU A 11 4.144 -17.667 -5.039 1.00 10.00 H new ATOM 0 HD23 LEU A 11 5.540 -17.425 -6.116 1.00 10.00 H new ATOM 184 N GLU A 12 8.190 -17.911 -2.217 1.00 10.00 N ATOM 185 CA GLU A 12 8.892 -17.822 -0.951 1.00 10.00 C ATOM 186 C GLU A 12 7.854 -17.672 0.159 1.00 10.00 C ATOM 187 O GLU A 12 7.025 -16.763 0.111 1.00 10.00 O ATOM 188 CB GLU A 12 9.813 -16.595 -0.972 1.00 10.00 C ATOM 189 CG GLU A 12 10.842 -16.662 -2.109 1.00 10.00 C ATOM 190 CD GLU A 12 11.743 -15.432 -2.119 1.00 10.00 C ATOM 191 OE1 GLU A 12 11.191 -14.324 -2.290 1.00 10.00 O ATOM 192 OE2 GLU A 12 12.969 -15.626 -1.974 1.00 10.00 O ATOM 0 H GLU A 12 7.479 -17.187 -2.317 1.00 10.00 H new ATOM 0 HA GLU A 12 9.493 -18.715 -0.781 1.00 10.00 H new ATOM 0 HB2 GLU A 12 9.211 -15.693 -1.082 1.00 10.00 H new ATOM 0 HB3 GLU A 12 10.333 -16.517 -0.017 1.00 10.00 H new ATOM 0 HG2 GLU A 12 11.451 -17.559 -1.998 1.00 10.00 H new ATOM 0 HG3 GLU A 12 10.325 -16.744 -3.065 1.00 10.00 H new ATOM 199 N GLU A 13 7.894 -18.564 1.150 1.00 10.00 N ATOM 200 CA GLU A 13 6.988 -18.535 2.287 1.00 10.00 C ATOM 201 C GLU A 13 7.185 -17.244 3.080 1.00 10.00 C ATOM 202 O GLU A 13 8.312 -16.844 3.365 1.00 10.00 O ATOM 203 CB GLU A 13 7.228 -19.764 3.176 1.00 10.00 C ATOM 204 CG GLU A 13 6.399 -20.970 2.718 1.00 10.00 C ATOM 205 CD GLU A 13 6.599 -21.329 1.248 1.00 10.00 C ATOM 206 OE1 GLU A 13 7.776 -21.465 0.847 1.00 10.00 O ATOM 207 OE2 GLU A 13 5.565 -21.445 0.553 1.00 10.00 O ATOM 0 H GLU A 13 8.564 -19.332 1.181 1.00 10.00 H new ATOM 0 HA GLU A 13 5.959 -18.563 1.929 1.00 10.00 H new ATOM 0 HB2 GLU A 13 8.287 -20.023 3.159 1.00 10.00 H new ATOM 0 HB3 GLU A 13 6.976 -19.521 4.208 1.00 10.00 H new ATOM 0 HG2 GLU A 13 6.658 -21.832 3.332 1.00 10.00 H new ATOM 0 HG3 GLU A 13 5.343 -20.761 2.892 1.00 10.00 H new ATOM 214 N CYS A 14 6.078 -16.603 3.457 1.00 10.00 N ATOM 215 CA CYS A 14 6.101 -15.387 4.245 1.00 10.00 C ATOM 216 C CYS A 14 6.570 -15.728 5.657 1.00 10.00 C ATOM 217 O CYS A 14 5.865 -16.427 6.389 1.00 10.00 O ATOM 218 CB CYS A 14 4.686 -14.828 4.313 1.00 10.00 C ATOM 219 SG CYS A 14 4.476 -13.299 5.262 1.00 10.00 S ATOM 0 H CYS A 14 5.139 -16.921 3.219 1.00 10.00 H new ATOM 0 HA CYS A 14 6.772 -14.655 3.797 1.00 10.00 H new ATOM 0 HB2 CYS A 14 4.338 -14.650 3.295 1.00 10.00 H new ATOM 0 HB3 CYS A 14 4.037 -15.590 4.743 1.00 10.00 H new ATOM 224 N ASP A 15 7.735 -15.218 6.053 1.00 10.00 N ATOM 225 CA ASP A 15 8.290 -15.434 7.381 1.00 10.00 C ATOM 226 C ASP A 15 7.293 -15.017 8.468 1.00 10.00 C ATOM 227 O ASP A 15 7.126 -15.727 9.452 1.00 10.00 O ATOM 228 CB ASP A 15 9.626 -14.689 7.531 1.00 10.00 C ATOM 229 CG ASP A 15 9.464 -13.170 7.523 1.00 10.00 C ATOM 230 OD1 ASP A 15 8.926 -12.665 6.512 1.00 10.00 O ATOM 231 OD2 ASP A 15 9.848 -12.547 8.535 1.00 10.00 O ATOM 0 H ASP A 15 8.323 -14.639 5.453 1.00 10.00 H new ATOM 0 HA ASP A 15 8.481 -16.500 7.505 1.00 10.00 H new ATOM 0 HB2 ASP A 15 10.103 -14.993 8.462 1.00 10.00 H new ATOM 0 HB3 ASP A 15 10.293 -14.982 6.720 1.00 10.00 H new ATOM 236 N VAL A 16 6.627 -13.874 8.280 1.00 10.00 N ATOM 237 CA VAL A 16 5.675 -13.310 9.231 1.00 10.00 C ATOM 238 C VAL A 16 4.572 -14.306 9.617 1.00 10.00 C ATOM 239 O VAL A 16 4.327 -14.498 10.805 1.00 10.00 O ATOM 240 CB VAL A 16 5.139 -11.970 8.693 1.00 10.00 C ATOM 241 CG1 VAL A 16 4.191 -11.305 9.690 1.00 10.00 C ATOM 242 CG2 VAL A 16 6.290 -10.992 8.413 1.00 10.00 C ATOM 0 H VAL A 16 6.740 -13.305 7.441 1.00 10.00 H new ATOM 0 HA VAL A 16 6.192 -13.103 10.168 1.00 10.00 H new ATOM 0 HB VAL A 16 4.603 -12.197 7.772 1.00 10.00 H new ATOM 0 HG11 VAL A 16 3.832 -10.362 9.277 1.00 10.00 H new ATOM 0 HG12 VAL A 16 3.344 -11.963 9.881 1.00 10.00 H new ATOM 0 HG13 VAL A 16 4.720 -11.115 10.624 1.00 10.00 H new ATOM 0 HG21 VAL A 16 5.886 -10.053 8.034 1.00 10.00 H new ATOM 0 HG22 VAL A 16 6.840 -10.804 9.335 1.00 10.00 H new ATOM 0 HG23 VAL A 16 6.962 -11.424 7.671 1.00 10.00 H new ATOM 252 N CYS A 17 3.919 -14.951 8.640 1.00 10.00 N ATOM 253 CA CYS A 17 2.882 -15.944 8.924 1.00 10.00 C ATOM 254 C CYS A 17 3.435 -17.371 8.916 1.00 10.00 C ATOM 255 O CYS A 17 2.686 -18.327 9.111 1.00 10.00 O ATOM 256 CB CYS A 17 1.690 -15.790 7.987 1.00 10.00 C ATOM 257 SG CYS A 17 1.998 -15.944 6.230 1.00 10.00 S ATOM 0 H CYS A 17 4.093 -14.800 7.646 1.00 10.00 H new ATOM 0 HA CYS A 17 2.524 -15.754 9.936 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.945 -16.535 8.265 1.00 10.00 H new ATOM 0 HB3 CYS A 17 1.245 -14.811 8.166 1.00 10.00 H new ATOM 262 N HIS A 18 4.733 -17.530 8.654 1.00 10.00 N ATOM 263 CA HIS A 18 5.429 -18.801 8.667 1.00 10.00 C ATOM 264 C HIS A 18 4.910 -19.676 7.529 1.00 10.00 C ATOM 265 O HIS A 18 4.710 -20.877 7.684 1.00 10.00 O ATOM 266 CB HIS A 18 5.290 -19.480 10.039 1.00 10.00 C ATOM 267 CG HIS A 18 5.339 -18.579 11.254 1.00 10.00 C ATOM 268 ND1 HIS A 18 6.000 -17.377 11.369 1.00 10.00 N ATOM 269 CD2 HIS A 18 4.630 -18.765 12.412 1.00 10.00 C ATOM 270 CE1 HIS A 18 5.692 -16.853 12.567 1.00 10.00 C ATOM 271 NE2 HIS A 18 4.865 -17.666 13.244 1.00 10.00 N ATOM 0 H HIS A 18 5.342 -16.746 8.420 1.00 10.00 H new ATOM 0 HA HIS A 18 6.495 -18.640 8.505 1.00 10.00 H new ATOM 0 HB2 HIS A 18 4.344 -20.022 10.056 1.00 10.00 H new ATOM 0 HB3 HIS A 18 6.084 -20.221 10.133 1.00 10.00 H new ATOM 0 HD1 HIS A 18 6.614 -16.959 10.670 1.00 10.00 H new ATOM 0 HD2 HIS A 18 4.000 -19.612 12.642 1.00 10.00 H new ATOM 0 HE1 HIS A 18 6.059 -15.907 12.935 1.00 10.00 H new ATOM 279 N GLY A 19 4.681 -19.058 6.370 1.00 10.00 N ATOM 280 CA GLY A 19 4.207 -19.770 5.197 1.00 10.00 C ATOM 281 C GLY A 19 2.733 -20.179 5.236 1.00 10.00 C ATOM 282 O GLY A 19 2.252 -20.734 4.247 1.00 10.00 O ATOM 0 H GLY A 19 4.819 -18.058 6.225 1.00 10.00 H new ATOM 0 HA2 GLY A 19 4.371 -19.143 4.320 1.00 10.00 H new ATOM 0 HA3 GLY A 19 4.813 -20.666 5.066 1.00 10.00 H new ATOM 286 N SER A 20 1.997 -19.938 6.332 1.00 10.00 N ATOM 287 CA SER A 20 0.599 -20.353 6.388 1.00 10.00 C ATOM 288 C SER A 20 -0.268 -19.413 5.554 1.00 10.00 C ATOM 289 O SER A 20 -0.835 -19.799 4.537 1.00 10.00 O ATOM 290 CB SER A 20 0.085 -20.412 7.837 1.00 10.00 C ATOM 291 OG SER A 20 0.176 -19.154 8.489 1.00 10.00 O ATOM 0 H SER A 20 2.342 -19.469 7.170 1.00 10.00 H new ATOM 0 HA SER A 20 0.534 -21.358 5.971 1.00 10.00 H new ATOM 0 HB2 SER A 20 -0.952 -20.747 7.840 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.660 -21.151 8.395 1.00 10.00 H new ATOM 0 HG SER A 20 1.115 -18.954 8.685 1.00 10.00 H new ATOM 297 N GLY A 21 -0.388 -18.189 6.060 1.00 10.00 N ATOM 298 CA GLY A 21 -1.237 -17.106 5.594 1.00 10.00 C ATOM 299 C GLY A 21 -1.950 -16.466 6.790 1.00 10.00 C ATOM 300 O GLY A 21 -2.592 -15.430 6.630 1.00 10.00 O ATOM 0 H GLY A 21 0.155 -17.909 6.877 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -0.639 -16.360 5.071 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -1.969 -17.484 4.880 1.00 10.00 H new ATOM 304 N ALA A 22 -1.844 -17.065 7.983 1.00 10.00 N ATOM 305 CA ALA A 22 -2.471 -16.564 9.193 1.00 10.00 C ATOM 306 C ALA A 22 -1.693 -15.371 9.752 1.00 10.00 C ATOM 307 O ALA A 22 -0.470 -15.415 9.836 1.00 10.00 O ATOM 308 CB ALA A 22 -2.526 -17.700 10.213 1.00 10.00 C ATOM 0 H ALA A 22 -1.311 -17.923 8.127 1.00 10.00 H new ATOM 0 HA ALA A 22 -3.481 -16.219 8.970 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.994 -17.343 11.130 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.108 -18.527 9.806 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -1.514 -18.042 10.432 1.00 10.00 H new ATOM 314 N LYS A 23 -2.396 -14.303 10.127 1.00 10.00 N ATOM 315 CA LYS A 23 -1.836 -13.087 10.703 1.00 10.00 C ATOM 316 C LYS A 23 -0.790 -13.428 11.786 1.00 10.00 C ATOM 317 O LYS A 23 -0.975 -14.391 12.532 1.00 10.00 O ATOM 318 CB LYS A 23 -3.016 -12.259 11.246 1.00 10.00 C ATOM 319 CG LYS A 23 -2.656 -10.973 12.003 1.00 10.00 C ATOM 320 CD LYS A 23 -3.901 -10.423 12.707 1.00 10.00 C ATOM 321 CE LYS A 23 -3.550 -9.162 13.502 1.00 10.00 C ATOM 322 NZ LYS A 23 -4.724 -8.637 14.220 1.00 10.00 N ATOM 0 H LYS A 23 -3.411 -14.262 10.033 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.300 -12.500 9.957 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -3.661 -11.993 10.408 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.602 -12.894 11.911 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -1.873 -11.177 12.734 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.260 -10.230 11.310 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -4.672 -10.194 11.971 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.313 -11.179 13.375 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.757 -9.388 14.214 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.164 -8.399 12.826 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -4.454 -7.783 14.749 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -5.471 -8.399 13.537 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -5.077 -9.357 14.882 1.00 10.00 H new ATOM 336 N PRO A 24 0.310 -12.661 11.893 1.00 10.00 N ATOM 337 CA PRO A 24 1.350 -12.912 12.881 1.00 10.00 C ATOM 338 C PRO A 24 0.752 -13.035 14.284 1.00 10.00 C ATOM 339 O PRO A 24 -0.202 -12.335 14.627 1.00 10.00 O ATOM 340 CB PRO A 24 2.343 -11.750 12.778 1.00 10.00 C ATOM 341 CG PRO A 24 1.592 -10.680 11.984 1.00 10.00 C ATOM 342 CD PRO A 24 0.645 -11.490 11.101 1.00 10.00 C ATOM 0 HA PRO A 24 1.858 -13.857 12.691 1.00 10.00 H new ATOM 0 HB2 PRO A 24 2.631 -11.385 13.764 1.00 10.00 H new ATOM 0 HB3 PRO A 24 3.259 -12.053 12.270 1.00 10.00 H new ATOM 0 HG2 PRO A 24 1.047 -10.002 12.640 1.00 10.00 H new ATOM 0 HG3 PRO A 24 2.272 -10.070 11.389 1.00 10.00 H new ATOM 0 HD2 PRO A 24 -0.246 -10.916 10.846 1.00 10.00 H new ATOM 0 HD3 PRO A 24 1.122 -11.771 10.162 1.00 10.00 H new ATOM 350 N GLY A 25 1.297 -13.959 15.082 1.00 10.00 N ATOM 351 CA GLY A 25 0.836 -14.228 16.438 1.00 10.00 C ATOM 352 C GLY A 25 -0.650 -14.597 16.507 1.00 10.00 C ATOM 353 O GLY A 25 -1.256 -14.475 17.567 1.00 10.00 O ATOM 0 H GLY A 25 2.081 -14.546 14.796 1.00 10.00 H new ATOM 0 HA2 GLY A 25 1.426 -15.041 16.861 1.00 10.00 H new ATOM 0 HA3 GLY A 25 1.015 -13.349 17.057 1.00 10.00 H new ATOM 357 N THR A 26 -1.231 -15.049 15.391 1.00 10.00 N ATOM 358 CA THR A 26 -2.626 -15.437 15.279 1.00 10.00 C ATOM 359 C THR A 26 -2.656 -16.774 14.530 1.00 10.00 C ATOM 360 O THR A 26 -1.673 -17.144 13.891 1.00 10.00 O ATOM 361 CB THR A 26 -3.396 -14.316 14.561 1.00 10.00 C ATOM 362 OG1 THR A 26 -2.955 -13.035 14.979 1.00 10.00 O ATOM 363 CG2 THR A 26 -4.905 -14.391 14.818 1.00 10.00 C ATOM 0 H THR A 26 -0.719 -15.155 14.515 1.00 10.00 H new ATOM 0 HA THR A 26 -3.111 -15.573 16.246 1.00 10.00 H new ATOM 0 HB THR A 26 -3.198 -14.460 13.499 1.00 10.00 H new ATOM 0 HG1 THR A 26 -2.043 -12.881 14.655 1.00 10.00 H new ATOM 0 HG21 THR A 26 -5.405 -13.579 14.290 1.00 10.00 H new ATOM 0 HG22 THR A 26 -5.288 -15.347 14.460 1.00 10.00 H new ATOM 0 HG23 THR A 26 -5.097 -14.301 15.887 1.00 10.00 H new ATOM 371 N GLN A 27 -3.758 -17.519 14.649 1.00 10.00 N ATOM 372 CA GLN A 27 -3.913 -18.852 14.075 1.00 10.00 C ATOM 373 C GLN A 27 -5.108 -18.924 13.113 1.00 10.00 C ATOM 374 O GLN A 27 -6.105 -18.235 13.342 1.00 10.00 O ATOM 375 CB GLN A 27 -4.031 -19.876 15.221 1.00 10.00 C ATOM 376 CG GLN A 27 -5.385 -19.939 15.950 1.00 10.00 C ATOM 377 CD GLN A 27 -5.764 -18.668 16.706 1.00 10.00 C ATOM 378 OE1 GLN A 27 -5.461 -18.524 17.883 1.00 10.00 O ATOM 379 NE2 GLN A 27 -6.429 -17.728 16.040 1.00 10.00 N ATOM 0 H GLN A 27 -4.583 -17.203 15.158 1.00 10.00 H new ATOM 0 HA GLN A 27 -3.034 -19.089 13.476 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -3.814 -20.865 14.818 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -3.258 -19.655 15.957 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -6.165 -20.157 15.220 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -5.365 -20.771 16.654 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -6.670 -17.872 15.059 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -6.698 -16.864 16.510 1.00 10.00 H new ATOM 388 N PRO A 28 -5.042 -19.770 12.070 1.00 10.00 N ATOM 389 CA PRO A 28 -6.148 -19.988 11.152 1.00 10.00 C ATOM 390 C PRO A 28 -7.148 -20.940 11.817 1.00 10.00 C ATOM 391 O PRO A 28 -6.922 -21.376 12.945 1.00 10.00 O ATOM 392 CB PRO A 28 -5.504 -20.622 9.920 1.00 10.00 C ATOM 393 CG PRO A 28 -4.384 -21.466 10.526 1.00 10.00 C ATOM 394 CD PRO A 28 -3.925 -20.641 11.730 1.00 10.00 C ATOM 0 HA PRO A 28 -6.690 -19.081 10.887 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -6.213 -21.232 9.360 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -5.118 -19.870 9.232 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -4.742 -22.451 10.827 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -3.573 -21.625 9.816 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -3.664 -21.287 12.569 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -3.036 -20.059 11.488 1.00 10.00 H new ATOM 402 N GLN A 29 -8.239 -21.288 11.125 1.00 10.00 N ATOM 403 CA GLN A 29 -9.225 -22.223 11.667 1.00 10.00 C ATOM 404 C GLN A 29 -9.293 -23.474 10.793 1.00 10.00 C ATOM 405 O GLN A 29 -9.405 -23.365 9.577 1.00 10.00 O ATOM 406 CB GLN A 29 -10.590 -21.541 11.803 1.00 10.00 C ATOM 407 CG GLN A 29 -10.520 -20.426 12.858 1.00 10.00 C ATOM 408 CD GLN A 29 -11.889 -19.831 13.174 1.00 10.00 C ATOM 409 OE1 GLN A 29 -12.873 -20.101 12.493 1.00 10.00 O ATOM 410 NE2 GLN A 29 -11.966 -18.998 14.207 1.00 10.00 N ATOM 0 H GLN A 29 -8.459 -20.937 10.193 1.00 10.00 H new ATOM 0 HA GLN A 29 -8.919 -22.533 12.666 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -10.895 -21.125 10.843 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -11.345 -22.274 12.087 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -10.081 -20.824 13.773 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -9.858 -19.636 12.503 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -11.133 -18.790 14.758 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -12.858 -18.567 14.449 1.00 10.00 H new ATOM 419 N THR A 30 -9.203 -24.661 11.396 1.00 10.00 N ATOM 420 CA THR A 30 -9.253 -25.943 10.713 1.00 10.00 C ATOM 421 C THR A 30 -10.444 -26.003 9.754 1.00 10.00 C ATOM 422 O THR A 30 -11.577 -25.816 10.192 1.00 10.00 O ATOM 423 CB THR A 30 -9.393 -27.022 11.796 1.00 10.00 C ATOM 424 OG1 THR A 30 -8.582 -26.666 12.902 1.00 10.00 O ATOM 425 CG2 THR A 30 -8.977 -28.395 11.270 1.00 10.00 C ATOM 0 H THR A 30 -9.090 -24.753 12.406 1.00 10.00 H new ATOM 0 HA THR A 30 -8.351 -26.094 10.120 1.00 10.00 H new ATOM 0 HB THR A 30 -10.439 -27.084 12.097 1.00 10.00 H new ATOM 0 HG1 THR A 30 -8.665 -27.348 13.601 1.00 10.00 H new ATOM 0 HG21 THR A 30 -9.088 -29.137 12.061 1.00 10.00 H new ATOM 0 HG22 THR A 30 -9.610 -28.668 10.425 1.00 10.00 H new ATOM 0 HG23 THR A 30 -7.936 -28.361 10.948 1.00 10.00 H new ATOM 433 N CYS A 31 -10.217 -26.270 8.463 1.00 10.00 N ATOM 434 CA CYS A 31 -11.317 -26.360 7.513 1.00 10.00 C ATOM 435 C CYS A 31 -12.192 -27.568 7.874 1.00 10.00 C ATOM 436 O CYS A 31 -11.706 -28.699 7.800 1.00 10.00 O ATOM 437 CB CYS A 31 -10.776 -26.498 6.090 1.00 10.00 C ATOM 438 SG CYS A 31 -12.085 -26.478 4.838 1.00 10.00 S ATOM 0 H CYS A 31 -9.292 -26.425 8.062 1.00 10.00 H new ATOM 0 HA CYS A 31 -11.917 -25.452 7.561 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -10.077 -25.686 5.891 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -10.215 -27.429 6.008 1.00 10.00 H new ATOM 443 N PRO A 32 -13.464 -27.379 8.260 1.00 10.00 N ATOM 444 CA PRO A 32 -14.310 -28.487 8.663 1.00 10.00 C ATOM 445 C PRO A 32 -14.667 -29.369 7.468 1.00 10.00 C ATOM 446 O PRO A 32 -14.742 -30.587 7.611 1.00 10.00 O ATOM 447 CB PRO A 32 -15.528 -27.843 9.327 1.00 10.00 C ATOM 448 CG PRO A 32 -15.647 -26.496 8.615 1.00 10.00 C ATOM 449 CD PRO A 32 -14.188 -26.119 8.355 1.00 10.00 C ATOM 0 HA PRO A 32 -13.813 -29.162 9.359 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -16.425 -28.448 9.195 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -15.382 -27.719 10.400 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -16.215 -26.577 7.688 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -16.152 -25.755 9.234 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -14.091 -25.542 7.435 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -13.794 -25.501 9.162 1.00 10.00 H new ATOM 457 N THR A 33 -14.859 -28.770 6.289 1.00 10.00 N ATOM 458 CA THR A 33 -15.209 -29.437 5.042 1.00 10.00 C ATOM 459 C THR A 33 -14.351 -30.679 4.765 1.00 10.00 C ATOM 460 O THR A 33 -14.860 -31.680 4.271 1.00 10.00 O ATOM 461 CB THR A 33 -15.089 -28.403 3.911 1.00 10.00 C ATOM 462 OG1 THR A 33 -15.389 -27.113 4.418 1.00 10.00 O ATOM 463 CG2 THR A 33 -16.028 -28.718 2.744 1.00 10.00 C ATOM 0 H THR A 33 -14.769 -27.760 6.178 1.00 10.00 H new ATOM 0 HA THR A 33 -16.230 -29.811 5.112 1.00 10.00 H new ATOM 0 HB THR A 33 -14.066 -28.438 3.536 1.00 10.00 H new ATOM 0 HG1 THR A 33 -14.556 -26.650 4.648 1.00 10.00 H new ATOM 0 HG21 THR A 33 -15.910 -27.962 1.968 1.00 10.00 H new ATOM 0 HG22 THR A 33 -15.784 -29.699 2.335 1.00 10.00 H new ATOM 0 HG23 THR A 33 -17.059 -28.718 3.097 1.00 10.00 H new ATOM 471 N CYS A 34 -13.055 -30.612 5.092 1.00 10.00 N ATOM 472 CA CYS A 34 -12.113 -31.717 4.931 1.00 10.00 C ATOM 473 C CYS A 34 -11.545 -32.167 6.282 1.00 10.00 C ATOM 474 O CYS A 34 -10.534 -32.865 6.325 1.00 10.00 O ATOM 475 CB CYS A 34 -10.998 -31.307 3.962 1.00 10.00 C ATOM 476 SG CYS A 34 -10.239 -29.690 4.236 1.00 10.00 S ATOM 0 H CYS A 34 -12.628 -29.772 5.482 1.00 10.00 H new ATOM 0 HA CYS A 34 -12.643 -32.572 4.510 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -10.214 -32.063 4.006 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -11.403 -31.326 2.950 1.00 10.00 H new ATOM 481 N HIS A 35 -12.174 -31.765 7.391 1.00 10.00 N ATOM 482 CA HIS A 35 -11.735 -32.087 8.745 1.00 10.00 C ATOM 483 C HIS A 35 -10.239 -31.772 8.912 1.00 10.00 C ATOM 484 O HIS A 35 -9.495 -32.547 9.506 1.00 10.00 O ATOM 485 CB HIS A 35 -12.048 -33.558 9.076 1.00 10.00 C ATOM 486 CG HIS A 35 -13.472 -34.010 8.841 1.00 10.00 C ATOM 487 ND1 HIS A 35 -14.559 -33.224 8.525 1.00 10.00 N ATOM 488 CD2 HIS A 35 -13.911 -35.308 8.885 1.00 10.00 C ATOM 489 CE1 HIS A 35 -15.621 -34.033 8.378 1.00 10.00 C ATOM 490 NE2 HIS A 35 -15.278 -35.316 8.586 1.00 10.00 N ATOM 0 H HIS A 35 -13.020 -31.195 7.368 1.00 10.00 H new ATOM 0 HA HIS A 35 -12.284 -31.466 9.453 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -11.386 -34.190 8.484 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -11.802 -33.733 10.123 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -14.557 -32.209 8.421 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -13.307 -36.174 9.111 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -16.616 -33.698 8.127 1.00 10.00 H new ATOM 498 N GLY A 36 -9.784 -30.644 8.355 1.00 10.00 N ATOM 499 CA GLY A 36 -8.388 -30.227 8.401 1.00 10.00 C ATOM 500 C GLY A 36 -7.460 -31.002 7.456 1.00 10.00 C ATOM 501 O GLY A 36 -6.322 -30.589 7.252 1.00 10.00 O ATOM 0 H GLY A 36 -10.387 -29.991 7.855 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -8.331 -29.166 8.157 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -8.022 -30.339 9.422 1.00 10.00 H new ATOM 505 N SER A 37 -7.915 -32.113 6.868 1.00 10.00 N ATOM 506 CA SER A 37 -7.112 -32.978 6.008 1.00 10.00 C ATOM 507 C SER A 37 -6.691 -32.334 4.682 1.00 10.00 C ATOM 508 O SER A 37 -5.887 -32.907 3.955 1.00 10.00 O ATOM 509 CB SER A 37 -7.886 -34.274 5.728 1.00 10.00 C ATOM 510 OG SER A 37 -8.583 -34.710 6.878 1.00 10.00 O ATOM 0 H SER A 37 -8.874 -32.440 6.982 1.00 10.00 H new ATOM 0 HA SER A 37 -6.188 -33.177 6.551 1.00 10.00 H new ATOM 0 HB2 SER A 37 -8.590 -34.111 4.912 1.00 10.00 H new ATOM 0 HB3 SER A 37 -7.194 -35.051 5.402 1.00 10.00 H new ATOM 0 HG SER A 37 -9.460 -34.275 6.913 1.00 10.00 H new ATOM 516 N GLY A 38 -7.270 -31.184 4.323 1.00 10.00 N ATOM 517 CA GLY A 38 -6.979 -30.495 3.068 1.00 10.00 C ATOM 518 C GLY A 38 -7.597 -31.177 1.842 1.00 10.00 C ATOM 519 O GLY A 38 -7.495 -30.656 0.732 1.00 10.00 O ATOM 0 H GLY A 38 -7.959 -30.704 4.902 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.348 -29.471 3.130 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -5.899 -30.437 2.936 1.00 10.00 H new ATOM 523 N GLN A 39 -8.267 -32.318 2.020 1.00 10.00 N ATOM 524 CA GLN A 39 -8.891 -33.080 0.955 1.00 10.00 C ATOM 525 C GLN A 39 -10.320 -33.422 1.356 1.00 10.00 C ATOM 526 O GLN A 39 -10.538 -34.017 2.413 1.00 10.00 O ATOM 527 CB GLN A 39 -8.044 -34.316 0.601 1.00 10.00 C ATOM 528 CG GLN A 39 -7.543 -35.176 1.780 1.00 10.00 C ATOM 529 CD GLN A 39 -8.235 -36.532 1.926 1.00 10.00 C ATOM 530 OE1 GLN A 39 -7.674 -37.563 1.564 1.00 10.00 O ATOM 531 NE2 GLN A 39 -9.451 -36.560 2.452 1.00 10.00 N ATOM 0 H GLN A 39 -8.389 -32.743 2.939 1.00 10.00 H new ATOM 0 HA GLN A 39 -8.941 -32.484 0.044 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -8.632 -34.954 -0.059 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -7.177 -33.982 0.031 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -6.472 -35.342 1.661 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -7.678 -34.614 2.704 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -9.899 -35.692 2.746 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -9.938 -37.449 2.563 1.00 10.00 H new ATOM 540 N VAL A 40 -11.285 -33.066 0.507 1.00 10.00 N ATOM 541 CA VAL A 40 -12.684 -33.409 0.706 1.00 10.00 C ATOM 542 C VAL A 40 -12.803 -34.867 0.306 1.00 10.00 C ATOM 543 O VAL A 40 -12.306 -35.231 -0.756 1.00 10.00 O ATOM 544 CB VAL A 40 -13.624 -32.558 -0.164 1.00 10.00 C ATOM 545 CG1 VAL A 40 -13.871 -31.195 0.472 1.00 10.00 C ATOM 546 CG2 VAL A 40 -13.124 -32.369 -1.601 1.00 10.00 C ATOM 0 H VAL A 40 -11.111 -32.528 -0.342 1.00 10.00 H new ATOM 0 HA VAL A 40 -12.975 -33.225 1.740 1.00 10.00 H new ATOM 0 HB VAL A 40 -14.558 -33.117 -0.219 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -14.539 -30.613 -0.163 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -14.328 -31.328 1.453 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -12.923 -30.668 0.582 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -13.836 -31.759 -2.157 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -12.154 -31.872 -1.586 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -13.026 -33.342 -2.083 1.00 10.00 H new ATOM 556 N GLN A 41 -13.432 -35.694 1.138 1.00 10.00 N ATOM 557 CA GLN A 41 -13.572 -37.113 0.865 1.00 10.00 C ATOM 558 C GLN A 41 -15.044 -37.433 0.642 1.00 10.00 C ATOM 559 O GLN A 41 -15.858 -37.357 1.561 1.00 10.00 O ATOM 560 CB GLN A 41 -12.879 -37.901 1.976 1.00 10.00 C ATOM 561 CG GLN A 41 -12.509 -39.330 1.541 1.00 10.00 C ATOM 562 CD GLN A 41 -11.239 -39.851 2.215 1.00 10.00 C ATOM 563 OE1 GLN A 41 -10.586 -39.146 2.979 1.00 10.00 O ATOM 564 NE2 GLN A 41 -10.857 -41.083 1.906 1.00 10.00 N ATOM 0 H GLN A 41 -13.856 -35.396 2.016 1.00 10.00 H new ATOM 0 HA GLN A 41 -13.073 -37.414 -0.056 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -11.976 -37.373 2.283 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -13.533 -37.947 2.847 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -13.337 -40.000 1.772 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -12.374 -39.351 0.460 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -11.419 -41.646 1.268 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -10.001 -41.467 2.306 1.00 10.00 H new ATOM 573 N MET A 42 -15.377 -37.779 -0.600 1.00 10.00 N ATOM 574 CA MET A 42 -16.717 -38.118 -1.038 1.00 10.00 C ATOM 575 C MET A 42 -17.057 -39.512 -0.507 1.00 10.00 C ATOM 576 O MET A 42 -17.071 -40.489 -1.253 1.00 10.00 O ATOM 577 CB MET A 42 -16.791 -38.031 -2.572 1.00 10.00 C ATOM 578 CG MET A 42 -16.271 -36.694 -3.127 1.00 10.00 C ATOM 579 SD MET A 42 -16.947 -35.175 -2.402 1.00 10.00 S ATOM 580 CE MET A 42 -18.688 -35.333 -2.859 1.00 10.00 C ATOM 0 H MET A 42 -14.690 -37.831 -1.352 1.00 10.00 H new ATOM 0 HA MET A 42 -17.454 -37.418 -0.645 1.00 10.00 H new ATOM 0 HB2 MET A 42 -16.212 -38.847 -3.004 1.00 10.00 H new ATOM 0 HB3 MET A 42 -17.825 -38.171 -2.888 1.00 10.00 H new ATOM 0 HG2 MET A 42 -15.188 -36.675 -3.002 1.00 10.00 H new ATOM 0 HG3 MET A 42 -16.469 -36.674 -4.199 1.00 10.00 H new ATOM 0 HE1 MET A 42 -19.242 -34.472 -2.484 1.00 10.00 H new ATOM 0 HE2 MET A 42 -18.777 -35.377 -3.944 1.00 10.00 H new ATOM 0 HE3 MET A 42 -19.097 -36.245 -2.424 1.00 10.00 H new ATOM 590 N ARG A 43 -17.289 -39.599 0.805 1.00 10.00 N ATOM 591 CA ARG A 43 -17.575 -40.817 1.558 1.00 10.00 C ATOM 592 C ARG A 43 -18.918 -41.452 1.170 1.00 10.00 C ATOM 593 O ARG A 43 -19.807 -41.603 2.004 1.00 10.00 O ATOM 594 CB ARG A 43 -17.495 -40.491 3.060 1.00 10.00 C ATOM 595 CG ARG A 43 -16.049 -40.176 3.475 1.00 10.00 C ATOM 596 CD ARG A 43 -15.941 -38.985 4.430 1.00 10.00 C ATOM 597 NE ARG A 43 -16.622 -39.217 5.709 1.00 10.00 N ATOM 598 CZ ARG A 43 -16.544 -38.369 6.747 1.00 10.00 C ATOM 599 NH1 ARG A 43 -15.853 -37.229 6.632 1.00 10.00 N ATOM 600 NH2 ARG A 43 -17.155 -38.664 7.898 1.00 10.00 N ATOM 0 H ARG A 43 -17.281 -38.772 1.402 1.00 10.00 H new ATOM 0 HA ARG A 43 -16.828 -41.571 1.311 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -18.137 -39.639 3.286 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -17.869 -41.335 3.640 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -15.615 -41.055 3.951 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -15.458 -39.972 2.582 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -14.889 -38.770 4.618 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -16.366 -38.102 3.952 1.00 10.00 H new ATOM 0 HE ARG A 43 -17.182 -40.063 5.815 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -15.384 -37.003 5.755 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -15.795 -36.586 7.422 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -17.681 -39.533 7.988 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -17.096 -38.020 8.687 1.00 10.00 H new ATOM 614 N GLN A 44 -19.059 -41.877 -0.088 1.00 10.00 N ATOM 615 CA GLN A 44 -20.251 -42.531 -0.613 1.00 10.00 C ATOM 616 C GLN A 44 -20.293 -44.001 -0.174 1.00 10.00 C ATOM 617 O GLN A 44 -20.450 -44.901 -0.999 1.00 10.00 O ATOM 618 CB GLN A 44 -20.282 -42.374 -2.143 1.00 10.00 C ATOM 619 CG GLN A 44 -18.992 -42.872 -2.823 1.00 10.00 C ATOM 620 CD GLN A 44 -19.265 -43.809 -3.992 1.00 10.00 C ATOM 621 OE1 GLN A 44 -18.976 -43.497 -5.142 1.00 10.00 O ATOM 622 NE2 GLN A 44 -19.815 -44.982 -3.701 1.00 10.00 N ATOM 0 H GLN A 44 -18.323 -41.771 -0.786 1.00 10.00 H new ATOM 0 HA GLN A 44 -21.146 -42.058 -0.208 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -21.133 -42.925 -2.543 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -20.436 -41.324 -2.392 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -18.419 -42.015 -3.177 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -18.374 -43.387 -2.087 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -20.044 -45.212 -2.734 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -20.009 -45.653 -4.444 1.00 10.00 H new ATOM 631 N GLY A 45 -20.149 -44.252 1.128 1.00 10.00 N ATOM 632 CA GLY A 45 -20.168 -45.583 1.712 1.00 10.00 C ATOM 633 C GLY A 45 -18.945 -46.426 1.338 1.00 10.00 C ATOM 634 O GLY A 45 -18.142 -46.760 2.204 1.00 10.00 O ATOM 0 H GLY A 45 -20.013 -43.513 1.818 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -20.222 -45.495 2.797 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -21.071 -46.101 1.389 1.00 10.00 H new ATOM 638 N PHE A 46 -18.823 -46.793 0.058 1.00 10.00 N ATOM 639 CA PHE A 46 -17.774 -47.661 -0.461 1.00 10.00 C ATOM 640 C PHE A 46 -16.623 -46.878 -1.101 1.00 10.00 C ATOM 641 O PHE A 46 -15.536 -46.823 -0.528 1.00 10.00 O ATOM 642 CB PHE A 46 -18.371 -48.741 -1.381 1.00 10.00 C ATOM 643 CG PHE A 46 -19.366 -48.285 -2.438 1.00 10.00 C ATOM 644 CD1 PHE A 46 -20.699 -48.007 -2.075 1.00 10.00 C ATOM 645 CD2 PHE A 46 -19.019 -48.337 -3.802 1.00 10.00 C ATOM 646 CE1 PHE A 46 -21.658 -47.718 -3.061 1.00 10.00 C ATOM 647 CE2 PHE A 46 -19.989 -48.091 -4.789 1.00 10.00 C ATOM 648 CZ PHE A 46 -21.306 -47.771 -4.421 1.00 10.00 C ATOM 0 H PHE A 46 -19.474 -46.482 -0.663 1.00 10.00 H new ATOM 0 HA PHE A 46 -17.318 -48.179 0.382 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -17.548 -49.245 -1.888 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -18.862 -49.485 -0.754 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -20.985 -48.016 -1.034 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -18.004 -48.567 -4.091 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -22.665 -47.455 -2.774 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -19.721 -48.148 -5.834 1.00 10.00 H new ATOM 0 HZ PHE A 46 -22.046 -47.566 -5.180 1.00 10.00 H new ATOM 658 N PHE A 47 -16.817 -46.283 -2.284 1.00 10.00 N ATOM 659 CA PHE A 47 -15.731 -45.569 -2.957 1.00 10.00 C ATOM 660 C PHE A 47 -15.503 -44.199 -2.320 1.00 10.00 C ATOM 661 O PHE A 47 -15.785 -43.169 -2.928 1.00 10.00 O ATOM 662 CB PHE A 47 -15.984 -45.446 -4.468 1.00 10.00 C ATOM 663 CG PHE A 47 -16.227 -46.736 -5.231 1.00 10.00 C ATOM 664 CD1 PHE A 47 -15.469 -47.894 -4.961 1.00 10.00 C ATOM 665 CD2 PHE A 47 -17.125 -46.733 -6.316 1.00 10.00 C ATOM 666 CE1 PHE A 47 -15.648 -49.052 -5.737 1.00 10.00 C ATOM 667 CE2 PHE A 47 -17.280 -47.882 -7.111 1.00 10.00 C ATOM 668 CZ PHE A 47 -16.555 -49.048 -6.811 1.00 10.00 C ATOM 0 H PHE A 47 -17.704 -46.282 -2.788 1.00 10.00 H new ATOM 0 HA PHE A 47 -14.821 -46.156 -2.829 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -16.847 -44.797 -4.616 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -15.127 -44.943 -4.916 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -14.749 -47.891 -4.156 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -17.697 -45.844 -6.538 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -15.088 -49.946 -5.508 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -17.957 -47.869 -7.953 1.00 10.00 H new ATOM 0 HZ PHE A 47 -16.694 -49.939 -7.405 1.00 10.00 H new ATOM 678 N ALA A 48 -14.982 -44.185 -1.093 1.00 10.00 N ATOM 679 CA ALA A 48 -14.698 -42.968 -0.348 1.00 10.00 C ATOM 680 C ALA A 48 -13.448 -42.258 -0.884 1.00 10.00 C ATOM 681 O ALA A 48 -12.489 -42.053 -0.142 1.00 10.00 O ATOM 682 CB ALA A 48 -14.570 -43.314 1.140 1.00 10.00 C ATOM 0 H ALA A 48 -14.743 -45.036 -0.584 1.00 10.00 H new ATOM 0 HA ALA A 48 -15.522 -42.266 -0.476 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -14.357 -42.408 1.707 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -15.503 -43.752 1.493 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -13.758 -44.028 1.279 1.00 10.00 H new ATOM 688 N VAL A 49 -13.459 -41.867 -2.161 1.00 10.00 N ATOM 689 CA VAL A 49 -12.354 -41.145 -2.784 1.00 10.00 C ATOM 690 C VAL A 49 -12.446 -39.658 -2.460 1.00 10.00 C ATOM 691 O VAL A 49 -13.478 -39.176 -1.991 1.00 10.00 O ATOM 692 CB VAL A 49 -12.275 -41.394 -4.300 1.00 10.00 C ATOM 693 CG1 VAL A 49 -11.630 -42.758 -4.538 1.00 10.00 C ATOM 694 CG2 VAL A 49 -13.628 -41.284 -5.014 1.00 10.00 C ATOM 0 H VAL A 49 -14.240 -42.045 -2.792 1.00 10.00 H new ATOM 0 HA VAL A 49 -11.425 -41.531 -2.364 1.00 10.00 H new ATOM 0 HB VAL A 49 -11.663 -40.604 -4.736 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -11.567 -42.949 -5.609 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -10.628 -42.767 -4.108 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -12.234 -43.533 -4.066 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -13.494 -41.472 -6.079 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -14.319 -42.019 -4.600 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -14.035 -40.283 -4.871 1.00 10.00 H new ATOM 704 N GLN A 50 -11.340 -38.941 -2.671 1.00 10.00 N ATOM 705 CA GLN A 50 -11.220 -37.539 -2.320 1.00 10.00 C ATOM 706 C GLN A 50 -10.806 -36.632 -3.472 1.00 10.00 C ATOM 707 O GLN A 50 -10.406 -37.096 -4.538 1.00 10.00 O ATOM 708 CB GLN A 50 -10.227 -37.422 -1.152 1.00 10.00 C ATOM 709 CG GLN A 50 -8.809 -37.855 -1.543 1.00 10.00 C ATOM 710 CD GLN A 50 -8.610 -39.353 -1.344 1.00 10.00 C ATOM 711 OE1 GLN A 50 -8.867 -40.141 -2.251 1.00 10.00 O ATOM 712 NE2 GLN A 50 -8.174 -39.756 -0.156 1.00 10.00 N ATOM 0 H GLN A 50 -10.498 -39.329 -3.095 1.00 10.00 H new ATOM 0 HA GLN A 50 -12.212 -37.188 -2.037 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -10.205 -36.391 -0.800 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -10.575 -38.035 -0.321 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -8.623 -37.597 -2.586 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -8.082 -37.307 -0.944 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -7.971 -39.071 0.572 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -8.042 -40.750 0.028 1.00 10.00 H new ATOM 721 N GLN A 51 -10.872 -35.324 -3.208 1.00 10.00 N ATOM 722 CA GLN A 51 -10.453 -34.248 -4.094 1.00 10.00 C ATOM 723 C GLN A 51 -9.797 -33.197 -3.196 1.00 10.00 C ATOM 724 O GLN A 51 -10.139 -33.112 -2.015 1.00 10.00 O ATOM 725 CB GLN A 51 -11.662 -33.621 -4.809 1.00 10.00 C ATOM 726 CG GLN A 51 -12.598 -34.615 -5.512 1.00 10.00 C ATOM 727 CD GLN A 51 -13.968 -33.987 -5.744 1.00 10.00 C ATOM 728 OE1 GLN A 51 -14.348 -33.691 -6.871 1.00 10.00 O ATOM 729 NE2 GLN A 51 -14.718 -33.777 -4.665 1.00 10.00 N ATOM 0 H GLN A 51 -11.239 -34.975 -2.323 1.00 10.00 H new ATOM 0 HA GLN A 51 -9.775 -34.621 -4.862 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -12.242 -33.056 -4.079 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -11.296 -32.907 -5.547 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -12.165 -34.919 -6.465 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -12.702 -35.516 -4.907 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -14.368 -34.036 -3.743 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -15.642 -33.357 -4.760 1.00 10.00 H new ATOM 738 N THR A 52 -8.883 -32.382 -3.720 1.00 10.00 N ATOM 739 CA THR A 52 -8.271 -31.314 -2.944 1.00 10.00 C ATOM 740 C THR A 52 -9.366 -30.332 -2.519 1.00 10.00 C ATOM 741 O THR A 52 -10.184 -29.946 -3.350 1.00 10.00 O ATOM 742 CB THR A 52 -7.229 -30.607 -3.814 1.00 10.00 C ATOM 743 OG1 THR A 52 -6.404 -31.571 -4.440 1.00 10.00 O ATOM 744 CG2 THR A 52 -6.371 -29.658 -2.974 1.00 10.00 C ATOM 0 H THR A 52 -8.552 -32.444 -4.683 1.00 10.00 H new ATOM 0 HA THR A 52 -7.781 -31.712 -2.056 1.00 10.00 H new ATOM 0 HB THR A 52 -7.748 -30.020 -4.571 1.00 10.00 H new ATOM 0 HG1 THR A 52 -5.738 -31.118 -4.998 1.00 10.00 H new ATOM 0 HG21 THR A 52 -5.638 -29.167 -3.614 1.00 10.00 H new ATOM 0 HG22 THR A 52 -7.009 -28.906 -2.510 1.00 10.00 H new ATOM 0 HG23 THR A 52 -5.854 -30.224 -2.199 1.00 10.00 H new ATOM 752 N CYS A 53 -9.400 -29.914 -1.251 1.00 10.00 N ATOM 753 CA CYS A 53 -10.418 -28.976 -0.800 1.00 10.00 C ATOM 754 C CYS A 53 -10.122 -27.581 -1.369 1.00 10.00 C ATOM 755 O CYS A 53 -9.084 -27.012 -1.029 1.00 10.00 O ATOM 756 CB CYS A 53 -10.453 -28.926 0.726 1.00 10.00 C ATOM 757 SG CYS A 53 -11.787 -27.872 1.356 1.00 10.00 S ATOM 0 H CYS A 53 -8.741 -30.209 -0.530 1.00 10.00 H new ATOM 0 HA CYS A 53 -11.392 -29.309 -1.157 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -10.577 -29.936 1.117 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -9.497 -28.556 1.096 1.00 10.00 H new ATOM 762 N PRO A 54 -11.001 -27.005 -2.208 1.00 10.00 N ATOM 763 CA PRO A 54 -10.768 -25.695 -2.793 1.00 10.00 C ATOM 764 C PRO A 54 -10.923 -24.585 -1.750 1.00 10.00 C ATOM 765 O PRO A 54 -10.184 -23.603 -1.790 1.00 10.00 O ATOM 766 CB PRO A 54 -11.794 -25.569 -3.921 1.00 10.00 C ATOM 767 CG PRO A 54 -12.964 -26.425 -3.436 1.00 10.00 C ATOM 768 CD PRO A 54 -12.270 -27.554 -2.671 1.00 10.00 C ATOM 0 HA PRO A 54 -9.751 -25.593 -3.171 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -12.093 -24.533 -4.078 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -11.396 -25.933 -4.868 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -13.640 -25.859 -2.795 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -13.557 -26.806 -4.267 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -12.880 -27.889 -1.832 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -12.109 -28.420 -3.314 1.00 10.00 H new ATOM 776 N HIS A 55 -11.872 -24.738 -0.818 1.00 10.00 N ATOM 777 CA HIS A 55 -12.174 -23.760 0.225 1.00 10.00 C ATOM 778 C HIS A 55 -10.918 -23.272 0.954 1.00 10.00 C ATOM 779 O HIS A 55 -10.812 -22.082 1.259 1.00 10.00 O ATOM 780 CB HIS A 55 -13.196 -24.350 1.208 1.00 10.00 C ATOM 781 CG HIS A 55 -13.807 -23.338 2.147 1.00 10.00 C ATOM 782 ND1 HIS A 55 -13.397 -22.034 2.332 1.00 10.00 N ATOM 783 CD2 HIS A 55 -14.893 -23.546 2.955 1.00 10.00 C ATOM 784 CE1 HIS A 55 -14.229 -21.471 3.224 1.00 10.00 C ATOM 785 NE2 HIS A 55 -15.152 -22.354 3.638 1.00 10.00 N ATOM 0 H HIS A 55 -12.464 -25.567 -0.771 1.00 10.00 H new ATOM 0 HA HIS A 55 -12.605 -22.882 -0.256 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -13.993 -24.831 0.641 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -12.710 -25.128 1.797 1.00 10.00 H new ATOM 0 HD1 HIS A 55 -12.606 -21.580 1.875 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -15.450 -24.467 3.048 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -14.164 -20.447 3.562 1.00 10.00 H new ATOM 793 N CYS A 56 -9.981 -24.187 1.217 1.00 10.00 N ATOM 794 CA CYS A 56 -8.703 -23.893 1.854 1.00 10.00 C ATOM 795 C CYS A 56 -7.539 -24.219 0.914 1.00 10.00 C ATOM 796 O CYS A 56 -6.420 -24.386 1.380 1.00 10.00 O ATOM 797 CB CYS A 56 -8.589 -24.656 3.179 1.00 10.00 C ATOM 798 SG CYS A 56 -8.784 -26.449 3.072 1.00 10.00 S ATOM 0 H CYS A 56 -10.097 -25.174 0.986 1.00 10.00 H new ATOM 0 HA CYS A 56 -8.654 -22.826 2.072 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -7.615 -24.441 3.618 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -9.341 -24.268 3.866 1.00 10.00 H new ATOM 803 N GLN A 57 -7.778 -24.307 -0.400 1.00 10.00 N ATOM 804 CA GLN A 57 -6.774 -24.576 -1.428 1.00 10.00 C ATOM 805 C GLN A 57 -5.798 -25.686 -1.009 1.00 10.00 C ATOM 806 O GLN A 57 -4.586 -25.546 -1.151 1.00 10.00 O ATOM 807 CB GLN A 57 -6.021 -23.284 -1.798 1.00 10.00 C ATOM 808 CG GLN A 57 -6.920 -22.077 -2.103 1.00 10.00 C ATOM 809 CD GLN A 57 -7.471 -21.427 -0.836 1.00 10.00 C ATOM 810 OE1 GLN A 57 -6.718 -20.874 -0.038 1.00 10.00 O ATOM 811 NE2 GLN A 57 -8.782 -21.520 -0.628 1.00 10.00 N ATOM 0 H GLN A 57 -8.714 -24.188 -0.788 1.00 10.00 H new ATOM 0 HA GLN A 57 -7.300 -24.937 -2.312 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -5.353 -23.023 -0.978 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -5.395 -23.482 -2.668 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -6.353 -21.339 -2.670 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -7.749 -22.395 -2.735 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -9.375 -21.987 -1.314 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -9.194 -21.124 0.217 1.00 10.00 H new ATOM 820 N GLY A 58 -6.313 -26.790 -0.464 1.00 10.00 N ATOM 821 CA GLY A 58 -5.480 -27.902 -0.014 1.00 10.00 C ATOM 822 C GLY A 58 -4.665 -27.636 1.263 1.00 10.00 C ATOM 823 O GLY A 58 -4.085 -28.568 1.811 1.00 10.00 O ATOM 0 H GLY A 58 -7.313 -26.936 -0.324 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -6.119 -28.768 0.156 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -4.792 -28.167 -0.816 1.00 10.00 H new ATOM 827 N ARG A 59 -4.616 -26.397 1.760 1.00 10.00 N ATOM 828 CA ARG A 59 -3.853 -25.994 2.940 1.00 10.00 C ATOM 829 C ARG A 59 -4.494 -26.484 4.245 1.00 10.00 C ATOM 830 O ARG A 59 -3.915 -26.314 5.318 1.00 10.00 O ATOM 831 CB ARG A 59 -3.708 -24.457 2.959 1.00 10.00 C ATOM 832 CG ARG A 59 -3.073 -23.893 1.672 1.00 10.00 C ATOM 833 CD ARG A 59 -3.634 -22.514 1.302 1.00 10.00 C ATOM 834 NE ARG A 59 -3.154 -21.458 2.196 1.00 10.00 N ATOM 835 CZ ARG A 59 -3.544 -20.178 2.124 1.00 10.00 C ATOM 836 NH1 ARG A 59 -4.571 -19.794 1.355 1.00 10.00 N ATOM 837 NH2 ARG A 59 -2.886 -19.262 2.835 1.00 10.00 N ATOM 0 H ARG A 59 -5.125 -25.622 1.336 1.00 10.00 H new ATOM 0 HA ARG A 59 -2.870 -26.460 2.875 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -4.691 -24.007 3.099 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -3.099 -24.166 3.815 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -1.993 -23.820 1.804 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -3.248 -24.586 0.849 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -3.353 -22.274 0.277 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -4.723 -22.547 1.335 1.00 10.00 H new ATOM 0 HE ARG A 59 -2.481 -21.713 2.919 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -5.080 -20.484 0.803 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -4.844 -18.812 1.322 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -2.099 -19.540 3.422 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -3.169 -18.283 2.792 1.00 10.00 H new ATOM 851 N GLY A 60 -5.710 -27.042 4.189 1.00 10.00 N ATOM 852 CA GLY A 60 -6.439 -27.560 5.347 1.00 10.00 C ATOM 853 C GLY A 60 -6.890 -26.501 6.361 1.00 10.00 C ATOM 854 O GLY A 60 -7.695 -26.799 7.245 1.00 10.00 O ATOM 0 H GLY A 60 -6.224 -27.147 3.314 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -7.318 -28.098 4.992 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -5.807 -28.285 5.860 1.00 10.00 H new ATOM 858 N THR A 61 -6.372 -25.277 6.260 1.00 10.00 N ATOM 859 CA THR A 61 -6.590 -24.186 7.185 1.00 10.00 C ATOM 860 C THR A 61 -7.328 -23.034 6.505 1.00 10.00 C ATOM 861 O THR A 61 -6.969 -22.608 5.411 1.00 10.00 O ATOM 862 CB THR A 61 -5.206 -23.743 7.694 1.00 10.00 C ATOM 863 OG1 THR A 61 -4.206 -23.909 6.701 1.00 10.00 O ATOM 864 CG2 THR A 61 -4.812 -24.554 8.931 1.00 10.00 C ATOM 0 H THR A 61 -5.759 -25.015 5.488 1.00 10.00 H new ATOM 0 HA THR A 61 -7.216 -24.504 8.018 1.00 10.00 H new ATOM 0 HB THR A 61 -5.278 -22.685 7.946 1.00 10.00 H new ATOM 0 HG1 THR A 61 -3.341 -23.617 7.056 1.00 10.00 H new ATOM 0 HG21 THR A 61 -3.832 -24.231 9.281 1.00 10.00 H new ATOM 0 HG22 THR A 61 -5.548 -24.397 9.719 1.00 10.00 H new ATOM 0 HG23 THR A 61 -4.775 -25.613 8.675 1.00 10.00 H new ATOM 872 N LEU A 62 -8.352 -22.513 7.181 1.00 10.00 N ATOM 873 CA LEU A 62 -9.121 -21.365 6.746 1.00 10.00 C ATOM 874 C LEU A 62 -8.443 -20.132 7.319 1.00 10.00 C ATOM 875 O LEU A 62 -8.360 -19.958 8.542 1.00 10.00 O ATOM 876 CB LEU A 62 -10.576 -21.430 7.222 1.00 10.00 C ATOM 877 CG LEU A 62 -11.376 -22.566 6.575 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.772 -22.604 7.203 1.00 10.00 C ATOM 879 CD2 LEU A 62 -11.530 -22.359 5.065 1.00 10.00 C ATOM 0 H LEU A 62 -8.672 -22.895 8.071 1.00 10.00 H new ATOM 0 HA LEU A 62 -9.151 -21.339 5.657 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -10.591 -21.555 8.305 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -11.065 -20.481 7.004 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.839 -23.499 6.743 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -13.352 -23.409 6.751 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -12.684 -22.778 8.275 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -13.275 -21.653 7.030 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -12.103 -23.184 4.641 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -12.052 -21.421 4.878 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.545 -22.325 4.600 1.00 10.00 H new ATOM 891 N ILE A 63 -7.962 -19.289 6.410 1.00 10.00 N ATOM 892 CA ILE A 63 -7.277 -18.046 6.692 1.00 10.00 C ATOM 893 C ILE A 63 -8.319 -17.002 7.109 1.00 10.00 C ATOM 894 O ILE A 63 -8.553 -16.016 6.416 1.00 10.00 O ATOM 895 CB ILE A 63 -6.471 -17.644 5.440 1.00 10.00 C ATOM 896 CG1 ILE A 63 -5.534 -18.759 4.939 1.00 10.00 C ATOM 897 CG2 ILE A 63 -5.662 -16.368 5.686 1.00 10.00 C ATOM 898 CD1 ILE A 63 -4.420 -19.119 5.926 1.00 10.00 C ATOM 0 H ILE A 63 -8.047 -19.469 5.410 1.00 10.00 H new ATOM 0 HA ILE A 63 -6.570 -18.139 7.516 1.00 10.00 H new ATOM 0 HB ILE A 63 -7.211 -17.462 4.660 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -6.125 -19.651 4.731 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -5.085 -18.447 3.996 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -5.105 -16.111 4.785 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -6.338 -15.552 5.940 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -4.966 -16.531 6.509 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -3.802 -19.911 5.504 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -3.804 -18.240 6.116 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -4.860 -19.463 6.862 1.00 10.00 H new ATOM 910 N LYS A 64 -8.959 -17.222 8.259 1.00 10.00 N ATOM 911 CA LYS A 64 -9.943 -16.281 8.783 1.00 10.00 C ATOM 912 C LYS A 64 -9.266 -14.934 9.078 1.00 10.00 C ATOM 913 O LYS A 64 -9.870 -13.874 8.941 1.00 10.00 O ATOM 914 CB LYS A 64 -10.581 -16.839 10.061 1.00 10.00 C ATOM 915 CG LYS A 64 -11.332 -18.162 9.865 1.00 10.00 C ATOM 916 CD LYS A 64 -12.462 -18.053 8.833 1.00 10.00 C ATOM 917 CE LYS A 64 -13.379 -19.282 8.875 1.00 10.00 C ATOM 918 NZ LYS A 64 -14.205 -19.324 10.096 1.00 10.00 N ATOM 0 H LYS A 64 -8.811 -18.045 8.843 1.00 10.00 H new ATOM 0 HA LYS A 64 -10.725 -16.133 8.038 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -9.801 -16.984 10.809 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -11.273 -16.098 10.462 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -10.628 -18.931 9.547 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -11.747 -18.485 10.820 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -13.047 -17.154 9.026 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -12.036 -17.949 7.835 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -14.029 -19.278 8.000 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -12.773 -20.186 8.818 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -14.975 -20.012 9.971 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -13.615 -19.608 10.904 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -14.608 -18.382 10.275 1.00 10.00 H new ATOM 932 N ASP A 65 -8.001 -15.005 9.505 1.00 10.00 N ATOM 933 CA ASP A 65 -7.117 -13.913 9.880 1.00 10.00 C ATOM 934 C ASP A 65 -6.032 -13.730 8.802 1.00 10.00 C ATOM 935 O ASP A 65 -4.917 -14.212 8.979 1.00 10.00 O ATOM 936 CB ASP A 65 -6.506 -14.265 11.252 1.00 10.00 C ATOM 937 CG ASP A 65 -5.698 -15.571 11.266 1.00 10.00 C ATOM 938 OD1 ASP A 65 -6.172 -16.564 10.669 1.00 10.00 O ATOM 939 OD2 ASP A 65 -4.605 -15.552 11.867 1.00 10.00 O ATOM 0 H ASP A 65 -7.537 -15.908 9.603 1.00 10.00 H new ATOM 0 HA ASP A 65 -7.657 -12.969 9.955 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -5.859 -13.447 11.569 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -7.308 -14.340 11.986 1.00 10.00 H new ATOM 944 N PRO A 66 -6.317 -13.066 7.671 1.00 10.00 N ATOM 945 CA PRO A 66 -5.361 -12.931 6.582 1.00 10.00 C ATOM 946 C PRO A 66 -4.127 -12.087 6.906 1.00 10.00 C ATOM 947 O PRO A 66 -4.231 -10.919 7.283 1.00 10.00 O ATOM 948 CB PRO A 66 -6.153 -12.340 5.411 1.00 10.00 C ATOM 949 CG PRO A 66 -7.275 -11.569 6.103 1.00 10.00 C ATOM 950 CD PRO A 66 -7.585 -12.451 7.311 1.00 10.00 C ATOM 0 HA PRO A 66 -4.936 -13.909 6.355 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -5.535 -11.686 4.796 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -6.544 -13.118 4.756 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -6.957 -10.570 6.401 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -8.143 -11.448 5.456 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -7.985 -11.862 8.136 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.333 -13.205 7.066 1.00 10.00 H new ATOM 958 N CYS A 67 -2.945 -12.671 6.690 1.00 10.00 N ATOM 959 CA CYS A 67 -1.669 -11.991 6.805 1.00 10.00 C ATOM 960 C CYS A 67 -1.578 -10.990 5.651 1.00 10.00 C ATOM 961 O CYS A 67 -1.076 -11.320 4.574 1.00 10.00 O ATOM 962 CB CYS A 67 -0.527 -13.012 6.730 1.00 10.00 C ATOM 963 SG CYS A 67 1.145 -12.302 6.774 1.00 10.00 S ATOM 0 H CYS A 67 -2.856 -13.652 6.425 1.00 10.00 H new ATOM 0 HA CYS A 67 -1.587 -11.471 7.760 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -0.630 -13.711 7.560 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -0.636 -13.589 5.812 1.00 10.00 H new ATOM 968 N ASN A 68 -2.107 -9.785 5.879 1.00 10.00 N ATOM 969 CA ASN A 68 -2.169 -8.677 4.931 1.00 10.00 C ATOM 970 C ASN A 68 -0.907 -8.557 4.075 1.00 10.00 C ATOM 971 O ASN A 68 -1.016 -8.391 2.862 1.00 10.00 O ATOM 972 CB ASN A 68 -2.432 -7.366 5.679 1.00 10.00 C ATOM 973 CG ASN A 68 -2.412 -6.181 4.717 1.00 10.00 C ATOM 974 OD1 ASN A 68 -1.430 -5.452 4.649 1.00 10.00 O ATOM 975 ND2 ASN A 68 -3.486 -5.985 3.958 1.00 10.00 N ATOM 0 H ASN A 68 -2.525 -9.547 6.778 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.992 -8.884 4.247 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -3.398 -7.416 6.182 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -1.677 -7.225 6.452 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -3.508 -5.210 3.296 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -4.288 -6.610 4.038 1.00 10.00 H new ATOM 982 N LYS A 69 0.272 -8.669 4.698 1.00 10.00 N ATOM 983 CA LYS A 69 1.573 -8.603 4.038 1.00 10.00 C ATOM 984 C LYS A 69 1.615 -9.430 2.747 1.00 10.00 C ATOM 985 O LYS A 69 2.168 -8.975 1.749 1.00 10.00 O ATOM 986 CB LYS A 69 2.664 -9.053 5.021 1.00 10.00 C ATOM 987 CG LYS A 69 4.071 -8.898 4.427 1.00 10.00 C ATOM 988 CD LYS A 69 5.130 -9.269 5.473 1.00 10.00 C ATOM 989 CE LYS A 69 6.539 -9.309 4.870 1.00 10.00 C ATOM 990 NZ LYS A 69 6.949 -7.998 4.334 1.00 10.00 N ATOM 0 H LYS A 69 0.345 -8.812 5.705 1.00 10.00 H new ATOM 0 HA LYS A 69 1.753 -7.569 3.743 1.00 10.00 H new ATOM 0 HB2 LYS A 69 2.591 -8.467 5.937 1.00 10.00 H new ATOM 0 HB3 LYS A 69 2.498 -10.095 5.295 1.00 10.00 H new ATOM 0 HG2 LYS A 69 4.176 -9.537 3.550 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.222 -7.871 4.094 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.104 -8.546 6.288 1.00 10.00 H new ATOM 0 HD3 LYS A 69 4.891 -10.242 5.902 1.00 10.00 H new ATOM 0 HE2 LYS A 69 7.250 -9.627 5.632 1.00 10.00 H new ATOM 0 HE3 LYS A 69 6.571 -10.052 4.073 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 7.937 -8.048 4.013 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 6.337 -7.744 3.532 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 6.863 -7.276 5.078 1.00 10.00 H new ATOM 1004 N CYS A 70 1.024 -10.630 2.762 1.00 10.00 N ATOM 1005 CA CYS A 70 0.940 -11.506 1.596 1.00 10.00 C ATOM 1006 C CYS A 70 -0.523 -11.818 1.282 1.00 10.00 C ATOM 1007 O CYS A 70 -0.827 -12.875 0.735 1.00 10.00 O ATOM 1008 CB CYS A 70 1.754 -12.782 1.840 1.00 10.00 C ATOM 1009 SG CYS A 70 1.312 -13.733 3.313 1.00 10.00 S ATOM 0 H CYS A 70 0.586 -11.022 3.596 1.00 10.00 H new ATOM 0 HA CYS A 70 1.365 -11.002 0.728 1.00 10.00 H new ATOM 0 HB2 CYS A 70 1.649 -13.429 0.969 1.00 10.00 H new ATOM 0 HB3 CYS A 70 2.807 -12.510 1.910 1.00 10.00 H new ATOM 1014 N HIS A 71 -1.430 -10.908 1.648 1.00 10.00 N ATOM 1015 CA HIS A 71 -2.873 -11.015 1.463 1.00 10.00 C ATOM 1016 C HIS A 71 -3.400 -12.398 1.872 1.00 10.00 C ATOM 1017 O HIS A 71 -4.294 -12.944 1.230 1.00 10.00 O ATOM 1018 CB HIS A 71 -3.244 -10.656 0.015 1.00 10.00 C ATOM 1019 CG HIS A 71 -2.793 -9.291 -0.453 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -2.176 -8.310 0.296 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -2.936 -8.802 -1.724 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -1.950 -7.262 -0.513 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -2.398 -7.512 -1.754 1.00 10.00 N ATOM 0 H HIS A 71 -1.161 -10.036 2.103 1.00 10.00 H new ATOM 0 HA HIS A 71 -3.361 -10.299 2.125 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -2.816 -11.408 -0.648 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -4.327 -10.717 -0.090 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -1.935 -8.370 1.285 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -3.386 -9.322 -2.557 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -1.473 -6.343 -0.207 1.00 10.00 H new ATOM 1031 N GLY A 72 -2.847 -12.980 2.941 1.00 10.00 N ATOM 1032 CA GLY A 72 -3.257 -14.289 3.421 1.00 10.00 C ATOM 1033 C GLY A 72 -2.952 -15.453 2.469 1.00 10.00 C ATOM 1034 O GLY A 72 -3.385 -16.572 2.730 1.00 10.00 O ATOM 0 H GLY A 72 -2.104 -12.551 3.492 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.765 -14.480 4.374 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -4.329 -14.269 3.615 1.00 10.00 H new ATOM 1038 N HIS A 73 -2.186 -15.236 1.394 1.00 10.00 N ATOM 1039 CA HIS A 73 -1.794 -16.299 0.470 1.00 10.00 C ATOM 1040 C HIS A 73 -0.785 -17.227 1.154 1.00 10.00 C ATOM 1041 O HIS A 73 -0.738 -18.425 0.889 1.00 10.00 O ATOM 1042 CB HIS A 73 -1.204 -15.674 -0.799 1.00 10.00 C ATOM 1043 CG HIS A 73 -0.790 -16.670 -1.853 1.00 10.00 C ATOM 1044 ND1 HIS A 73 0.414 -16.677 -2.519 1.00 10.00 N ATOM 1045 CD2 HIS A 73 -1.543 -17.703 -2.349 1.00 10.00 C ATOM 1046 CE1 HIS A 73 0.384 -17.694 -3.398 1.00 10.00 C ATOM 1047 NE2 HIS A 73 -0.785 -18.350 -3.329 1.00 10.00 N ATOM 0 H HIS A 73 -1.822 -14.317 1.143 1.00 10.00 H new ATOM 0 HA HIS A 73 -2.664 -16.893 0.189 1.00 10.00 H new ATOM 0 HB2 HIS A 73 -1.939 -14.994 -1.229 1.00 10.00 H new ATOM 0 HB3 HIS A 73 -0.337 -15.074 -0.524 1.00 10.00 H new ATOM 0 HD1 HIS A 73 1.188 -16.029 -2.373 1.00 10.00 H new ATOM 0 HD2 HIS A 73 -2.543 -17.969 -2.038 1.00 10.00 H new ATOM 0 HE1 HIS A 73 1.191 -17.949 -4.069 1.00 10.00 H new ATOM 1055 N GLY A 74 0.025 -16.645 2.042 1.00 10.00 N ATOM 1056 CA GLY A 74 1.029 -17.333 2.837 1.00 10.00 C ATOM 1057 C GLY A 74 2.423 -17.289 2.226 1.00 10.00 C ATOM 1058 O GLY A 74 3.406 -17.399 2.956 1.00 10.00 O ATOM 0 H GLY A 74 -0.007 -15.643 2.229 1.00 10.00 H new ATOM 0 HA2 GLY A 74 1.062 -16.887 3.831 1.00 10.00 H new ATOM 0 HA3 GLY A 74 0.730 -18.373 2.965 1.00 10.00 H new ATOM 1062 N ARG A 75 2.530 -17.103 0.911 1.00 10.00 N ATOM 1063 CA ARG A 75 3.806 -17.026 0.219 1.00 10.00 C ATOM 1064 C ARG A 75 3.761 -15.912 -0.822 1.00 10.00 C ATOM 1065 O ARG A 75 2.692 -15.600 -1.351 1.00 10.00 O ATOM 1066 CB ARG A 75 4.146 -18.396 -0.384 1.00 10.00 C ATOM 1067 CG ARG A 75 3.146 -18.848 -1.455 1.00 10.00 C ATOM 1068 CD ARG A 75 2.648 -20.280 -1.238 1.00 10.00 C ATOM 1069 NE ARG A 75 1.605 -20.307 -0.205 1.00 10.00 N ATOM 1070 CZ ARG A 75 1.735 -20.673 1.078 1.00 10.00 C ATOM 1071 NH1 ARG A 75 2.881 -21.140 1.582 1.00 10.00 N ATOM 1072 NH2 ARG A 75 0.686 -20.537 1.891 1.00 10.00 N ATOM 0 H ARG A 75 1.723 -17.001 0.295 1.00 10.00 H new ATOM 0 HA ARG A 75 4.605 -16.775 0.917 1.00 10.00 H new ATOM 0 HB2 ARG A 75 5.144 -18.356 -0.821 1.00 10.00 H new ATOM 0 HB3 ARG A 75 4.176 -19.139 0.413 1.00 10.00 H new ATOM 0 HG2 ARG A 75 2.294 -18.169 -1.459 1.00 10.00 H new ATOM 0 HG3 ARG A 75 3.615 -18.776 -2.436 1.00 10.00 H new ATOM 0 HD2 ARG A 75 2.254 -20.681 -2.172 1.00 10.00 H new ATOM 0 HD3 ARG A 75 3.479 -20.920 -0.942 1.00 10.00 H new ATOM 0 HE ARG A 75 0.673 -20.013 -0.498 1.00 10.00 H new ATOM 0 HH11 ARG A 75 3.702 -21.230 0.984 1.00 10.00 H new ATOM 0 HH12 ARG A 75 2.935 -21.407 2.565 1.00 10.00 H new ATOM 0 HH21 ARG A 75 -0.192 -20.161 1.532 1.00 10.00 H new ATOM 0 HH22 ARG A 75 0.762 -20.809 2.871 1.00 10.00 H new ATOM 1086 N VAL A 76 4.923 -15.326 -1.109 1.00 10.00 N ATOM 1087 CA VAL A 76 5.102 -14.263 -2.087 1.00 10.00 C ATOM 1088 C VAL A 76 5.904 -14.837 -3.254 1.00 10.00 C ATOM 1089 O VAL A 76 6.635 -15.808 -3.072 1.00 10.00 O ATOM 1090 CB VAL A 76 5.787 -13.048 -1.433 1.00 10.00 C ATOM 1091 CG1 VAL A 76 4.908 -12.479 -0.311 1.00 10.00 C ATOM 1092 CG2 VAL A 76 7.175 -13.365 -0.859 1.00 10.00 C ATOM 0 H VAL A 76 5.794 -15.591 -0.649 1.00 10.00 H new ATOM 0 HA VAL A 76 4.144 -13.904 -2.463 1.00 10.00 H new ATOM 0 HB VAL A 76 5.920 -12.317 -2.230 1.00 10.00 H new ATOM 0 HG11 VAL A 76 5.406 -11.621 0.141 1.00 10.00 H new ATOM 0 HG12 VAL A 76 3.949 -12.166 -0.723 1.00 10.00 H new ATOM 0 HG13 VAL A 76 4.745 -13.245 0.447 1.00 10.00 H new ATOM 0 HG21 VAL A 76 7.599 -12.465 -0.414 1.00 10.00 H new ATOM 0 HG22 VAL A 76 7.085 -14.139 -0.097 1.00 10.00 H new ATOM 0 HG23 VAL A 76 7.828 -13.717 -1.658 1.00 10.00 H new ATOM 1102 N GLU A 77 5.774 -14.276 -4.458 1.00 10.00 N ATOM 1103 CA GLU A 77 6.506 -14.785 -5.610 1.00 10.00 C ATOM 1104 C GLU A 77 8.001 -14.491 -5.459 1.00 10.00 C ATOM 1105 O GLU A 77 8.366 -13.427 -4.950 1.00 10.00 O ATOM 1106 CB GLU A 77 5.883 -14.239 -6.899 1.00 10.00 C ATOM 1107 CG GLU A 77 6.580 -14.745 -8.168 1.00 10.00 C ATOM 1108 CD GLU A 77 5.874 -14.243 -9.422 1.00 10.00 C ATOM 1109 OE1 GLU A 77 4.806 -14.812 -9.736 1.00 10.00 O ATOM 1110 OE2 GLU A 77 6.408 -13.296 -10.038 1.00 10.00 O ATOM 0 H GLU A 77 5.173 -13.476 -4.656 1.00 10.00 H new ATOM 0 HA GLU A 77 6.425 -15.870 -5.668 1.00 10.00 H new ATOM 0 HB2 GLU A 77 4.830 -14.520 -6.934 1.00 10.00 H new ATOM 0 HB3 GLU A 77 5.922 -13.150 -6.881 1.00 10.00 H new ATOM 0 HG2 GLU A 77 7.618 -14.412 -8.174 1.00 10.00 H new ATOM 0 HG3 GLU A 77 6.595 -15.835 -8.168 1.00 10.00 H new ATOM 1117 N ARG A 78 8.855 -15.429 -5.901 1.00 10.00 N ATOM 1118 CA ARG A 78 10.313 -15.327 -5.834 1.00 10.00 C ATOM 1119 C ARG A 78 10.796 -14.248 -6.809 1.00 10.00 C ATOM 1120 O ARG A 78 11.384 -14.524 -7.851 1.00 10.00 O ATOM 1121 CB ARG A 78 10.957 -16.702 -6.097 1.00 10.00 C ATOM 1122 CG ARG A 78 12.423 -16.750 -5.645 1.00 10.00 C ATOM 1123 CD ARG A 78 13.195 -17.986 -6.143 1.00 10.00 C ATOM 1124 NE ARG A 78 12.414 -19.236 -6.210 1.00 10.00 N ATOM 1125 CZ ARG A 78 11.797 -19.863 -5.199 1.00 10.00 C ATOM 1126 NH1 ARG A 78 11.788 -19.336 -3.974 1.00 10.00 N ATOM 1127 NH2 ARG A 78 11.162 -21.020 -5.417 1.00 10.00 N ATOM 0 H ARG A 78 8.537 -16.300 -6.325 1.00 10.00 H new ATOM 0 HA ARG A 78 10.622 -15.024 -4.833 1.00 10.00 H new ATOM 0 HB2 ARG A 78 10.391 -17.473 -5.573 1.00 10.00 H new ATOM 0 HB3 ARG A 78 10.899 -16.931 -7.161 1.00 10.00 H new ATOM 0 HG2 ARG A 78 12.930 -15.852 -5.998 1.00 10.00 H new ATOM 0 HG3 ARG A 78 12.457 -16.728 -4.556 1.00 10.00 H new ATOM 0 HD2 ARG A 78 13.590 -17.771 -7.136 1.00 10.00 H new ATOM 0 HD3 ARG A 78 14.051 -18.147 -5.488 1.00 10.00 H new ATOM 0 HE ARG A 78 12.335 -19.672 -7.129 1.00 10.00 H new ATOM 0 HH11 ARG A 78 12.254 -18.446 -3.798 1.00 10.00 H new ATOM 0 HH12 ARG A 78 11.315 -19.823 -3.213 1.00 10.00 H new ATOM 0 HH21 ARG A 78 11.147 -21.425 -6.353 1.00 10.00 H new ATOM 0 HH22 ARG A 78 10.693 -21.497 -4.647 1.00 10.00 H new ATOM 1141 N SER A 79 10.509 -13.000 -6.458 1.00 10.00 N ATOM 1142 CA SER A 79 10.786 -11.816 -7.242 1.00 10.00 C ATOM 1143 C SER A 79 12.292 -11.606 -7.387 1.00 10.00 C ATOM 1144 O SER A 79 12.848 -10.665 -6.823 1.00 10.00 O ATOM 1145 CB SER A 79 10.077 -10.636 -6.567 1.00 10.00 C ATOM 1146 OG SER A 79 8.700 -10.940 -6.386 1.00 10.00 O ATOM 0 H SER A 79 10.053 -12.782 -5.572 1.00 10.00 H new ATOM 0 HA SER A 79 10.406 -11.918 -8.258 1.00 10.00 H new ATOM 0 HB2 SER A 79 10.541 -10.424 -5.604 1.00 10.00 H new ATOM 0 HB3 SER A 79 10.184 -9.739 -7.177 1.00 10.00 H new ATOM 0 HG SER A 79 8.610 -11.695 -5.767 1.00 10.00 H new TER 1152 SER A 79 HETATM 1153 ZN ZN A 80 2.236 -13.807 5.414 1.00 10.00 ZN HETATM 1154 ZN ZN A 81 -10.734 -27.620 3.376 1.00 10.00 ZN