USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=18 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= -0.0113 X(o=-0.97,f=-1.4) USER MOD Set 1.2: A 50 GLN : amide:sc= -0.954 X(o=-0.97,f=-1.4) USER MOD Set 2.1: A 33 THR OG1 : rot 144:sc= 1.44 USER MOD Set 2.2: A 55 HIS : no HD1:sc= 1.05 K(o=2.5,f=-5.5!) USER MOD Set 3.1: A 23 LYS NZ :NH3+ -170:sc= 1.03 (180deg=0.955) USER MOD Set 3.2: A 26 THR OG1 : rot -170:sc= 0.0156 USER MOD Set 4.1: A 18 HIS : no HE2:sc= -0.125 K(o=1.1,f=-1) USER MOD Set 4.2: A 20 SER OG : rot -54:sc= 1.25 USER MOD Set 5.1: A 1 GLY N :NH3+ -164:sc= 0.817 (180deg=0) USER MOD Set 5.2: A 3 THR OG1 : rot 60:sc= 0.906 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 27 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 29 GLN : amide:sc= 0.839 K(o=0.84,f=-0.0059) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00668 USER MOD Single : A 35 HIS : no HE2:sc= 1.03 K(o=1,f=-3.6!) USER MOD Single : A 37 SER OG : rot -72:sc= 1.22 USER MOD Single : A 41 GLN : amide:sc= 2.08 K(o=2.1,f=-4.9!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 1.09 K(o=1.1,f=-0.015) USER MOD Single : A 51 GLN : amide:sc= -1.03 K(o=-1,f=-2.5) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00325 USER MOD Single : A 57 GLN : amide:sc= 1.11 K(o=1.1,f=-0.0088) USER MOD Single : A 61 THR OG1 : rot -63:sc= 0.721 USER MOD Single : A 64 LYS NZ :NH3+ -138:sc= 0.335 (180deg=-0.301) USER MOD Single : A 68 ASN : amide:sc= 0.0503 K(o=0.05,f=-4.8!) USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0248) USER MOD Single : A 71 HIS : no HE2:sc= 0.963 K(o=0.96,f=-3.7!) USER MOD Single : A 73 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.6!) USER MOD Single : A 79 SER OG : rot 64:sc= 0.468 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.271 -27.090 -8.121 1.00 10.00 N ATOM 2 CA GLY A 1 19.046 -26.423 -7.711 1.00 10.00 C ATOM 3 C GLY A 1 18.269 -25.992 -8.949 1.00 10.00 C ATOM 4 O GLY A 1 17.149 -26.439 -9.181 1.00 10.00 O ATOM 0 H1 GLY A 1 20.665 -27.618 -7.316 1.00 10.00 H new ATOM 0 H2 GLY A 1 20.064 -27.749 -8.899 1.00 10.00 H new ATOM 0 H3 GLY A 1 20.961 -26.381 -8.442 1.00 10.00 H new ATOM 0 HA2 GLY A 1 18.440 -27.093 -7.102 1.00 10.00 H new ATOM 0 HA3 GLY A 1 19.280 -25.555 -7.094 1.00 10.00 H new ATOM 8 N VAL A 2 18.902 -25.163 -9.781 1.00 10.00 N ATOM 9 CA VAL A 2 18.346 -24.746 -11.066 1.00 10.00 C ATOM 10 C VAL A 2 18.321 -25.932 -12.042 1.00 10.00 C ATOM 11 O VAL A 2 17.654 -25.888 -13.073 1.00 10.00 O ATOM 12 CB VAL A 2 19.138 -23.555 -11.637 1.00 10.00 C ATOM 13 CG1 VAL A 2 19.043 -22.342 -10.703 1.00 10.00 C ATOM 14 CG2 VAL A 2 20.613 -23.888 -11.903 1.00 10.00 C ATOM 0 H VAL A 2 19.818 -24.761 -9.580 1.00 10.00 H new ATOM 0 HA VAL A 2 17.318 -24.414 -10.918 1.00 10.00 H new ATOM 0 HB VAL A 2 18.680 -23.318 -12.597 1.00 10.00 H new ATOM 0 HG11 VAL A 2 19.610 -21.512 -11.126 1.00 10.00 H new ATOM 0 HG12 VAL A 2 17.999 -22.049 -10.592 1.00 10.00 H new ATOM 0 HG13 VAL A 2 19.453 -22.601 -9.727 1.00 10.00 H new ATOM 0 HG21 VAL A 2 21.118 -23.009 -12.304 1.00 10.00 H new ATOM 0 HG22 VAL A 2 21.092 -24.188 -10.971 1.00 10.00 H new ATOM 0 HG23 VAL A 2 20.678 -24.704 -12.623 1.00 10.00 H new ATOM 24 N THR A 3 19.053 -26.998 -11.708 1.00 10.00 N ATOM 25 CA THR A 3 19.185 -28.240 -12.438 1.00 10.00 C ATOM 26 C THR A 3 17.860 -29.011 -12.422 1.00 10.00 C ATOM 27 O THR A 3 17.755 -30.042 -11.758 1.00 10.00 O ATOM 28 CB THR A 3 20.297 -29.025 -11.725 1.00 10.00 C ATOM 29 OG1 THR A 3 20.034 -28.993 -10.330 1.00 10.00 O ATOM 30 CG2 THR A 3 21.671 -28.391 -11.969 1.00 10.00 C ATOM 0 H THR A 3 19.608 -27.005 -10.852 1.00 10.00 H new ATOM 0 HA THR A 3 19.433 -28.074 -13.486 1.00 10.00 H new ATOM 0 HB THR A 3 20.310 -30.044 -12.112 1.00 10.00 H new ATOM 0 HG1 THR A 3 19.164 -29.407 -10.152 1.00 10.00 H new ATOM 0 HG21 THR A 3 22.436 -28.970 -11.451 1.00 10.00 H new ATOM 0 HG22 THR A 3 21.883 -28.383 -13.038 1.00 10.00 H new ATOM 0 HG23 THR A 3 21.672 -27.369 -11.591 1.00 10.00 H new ATOM 38 N LYS A 4 16.858 -28.504 -13.139 1.00 10.00 N ATOM 39 CA LYS A 4 15.531 -29.082 -13.268 1.00 10.00 C ATOM 40 C LYS A 4 14.850 -28.421 -14.469 1.00 10.00 C ATOM 41 O LYS A 4 15.494 -27.697 -15.227 1.00 10.00 O ATOM 42 CB LYS A 4 14.733 -28.898 -11.964 1.00 10.00 C ATOM 43 CG LYS A 4 14.643 -27.426 -11.530 1.00 10.00 C ATOM 44 CD LYS A 4 13.633 -27.214 -10.395 1.00 10.00 C ATOM 45 CE LYS A 4 13.985 -28.020 -9.140 1.00 10.00 C ATOM 46 NZ LYS A 4 13.125 -27.644 -8.005 1.00 10.00 N ATOM 0 H LYS A 4 16.959 -27.638 -13.669 1.00 10.00 H new ATOM 0 HA LYS A 4 15.588 -30.157 -13.439 1.00 10.00 H new ATOM 0 HB2 LYS A 4 13.727 -29.296 -12.099 1.00 10.00 H new ATOM 0 HB3 LYS A 4 15.202 -29.479 -11.170 1.00 10.00 H new ATOM 0 HG2 LYS A 4 15.626 -27.084 -11.207 1.00 10.00 H new ATOM 0 HG3 LYS A 4 14.358 -26.814 -12.386 1.00 10.00 H new ATOM 0 HD2 LYS A 4 13.591 -26.154 -10.143 1.00 10.00 H new ATOM 0 HD3 LYS A 4 12.639 -27.499 -10.739 1.00 10.00 H new ATOM 0 HE2 LYS A 4 13.875 -29.085 -9.346 1.00 10.00 H new ATOM 0 HE3 LYS A 4 15.030 -27.853 -8.879 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 13.387 -28.206 -7.170 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 13.250 -26.633 -7.795 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 12.130 -27.827 -8.248 1.00 10.00 H new ATOM 60 N GLU A 5 13.544 -28.647 -14.628 1.00 10.00 N ATOM 61 CA GLU A 5 12.763 -28.045 -15.693 1.00 10.00 C ATOM 62 C GLU A 5 12.831 -26.521 -15.563 1.00 10.00 C ATOM 63 O GLU A 5 12.732 -25.993 -14.454 1.00 10.00 O ATOM 64 CB GLU A 5 11.307 -28.529 -15.606 1.00 10.00 C ATOM 65 CG GLU A 5 11.181 -30.056 -15.482 1.00 10.00 C ATOM 66 CD GLU A 5 11.947 -30.790 -16.578 1.00 10.00 C ATOM 67 OE1 GLU A 5 11.569 -30.603 -17.755 1.00 10.00 O ATOM 68 OE2 GLU A 5 12.904 -31.509 -16.219 1.00 10.00 O ATOM 0 H GLU A 5 13.003 -29.257 -14.015 1.00 10.00 H new ATOM 0 HA GLU A 5 13.167 -28.339 -16.662 1.00 10.00 H new ATOM 0 HB2 GLU A 5 10.826 -28.061 -14.747 1.00 10.00 H new ATOM 0 HB3 GLU A 5 10.767 -28.198 -16.493 1.00 10.00 H new ATOM 0 HG2 GLU A 5 11.554 -30.371 -14.507 1.00 10.00 H new ATOM 0 HG3 GLU A 5 10.129 -30.337 -15.527 1.00 10.00 H new ATOM 75 N ILE A 6 12.985 -25.809 -16.684 1.00 10.00 N ATOM 76 CA ILE A 6 13.085 -24.352 -16.713 1.00 10.00 C ATOM 77 C ILE A 6 11.722 -23.675 -16.511 1.00 10.00 C ATOM 78 O ILE A 6 11.280 -22.856 -17.313 1.00 10.00 O ATOM 79 CB ILE A 6 13.829 -23.884 -17.979 1.00 10.00 C ATOM 80 CG1 ILE A 6 13.212 -24.451 -19.273 1.00 10.00 C ATOM 81 CG2 ILE A 6 15.306 -24.279 -17.848 1.00 10.00 C ATOM 82 CD1 ILE A 6 13.705 -23.710 -20.520 1.00 10.00 C ATOM 0 H ILE A 6 13.044 -26.237 -17.608 1.00 10.00 H new ATOM 0 HA ILE A 6 13.686 -24.031 -15.862 1.00 10.00 H new ATOM 0 HB ILE A 6 13.736 -22.801 -18.058 1.00 10.00 H new ATOM 0 HG12 ILE A 6 13.460 -25.509 -19.359 1.00 10.00 H new ATOM 0 HG13 ILE A 6 12.126 -24.382 -19.217 1.00 10.00 H new ATOM 0 HG21 ILE A 6 15.849 -23.956 -18.736 1.00 10.00 H new ATOM 0 HG22 ILE A 6 15.734 -23.801 -16.967 1.00 10.00 H new ATOM 0 HG23 ILE A 6 15.386 -25.361 -17.748 1.00 10.00 H new ATOM 0 HD11 ILE A 6 13.244 -24.144 -21.407 1.00 10.00 H new ATOM 0 HD12 ILE A 6 13.434 -22.657 -20.448 1.00 10.00 H new ATOM 0 HD13 ILE A 6 14.789 -23.801 -20.593 1.00 10.00 H new ATOM 94 N ARG A 7 11.072 -24.007 -15.396 1.00 10.00 N ATOM 95 CA ARG A 7 9.801 -23.462 -14.952 1.00 10.00 C ATOM 96 C ARG A 7 9.730 -23.702 -13.441 1.00 10.00 C ATOM 97 O ARG A 7 8.715 -24.145 -12.910 1.00 10.00 O ATOM 98 CB ARG A 7 8.650 -24.128 -15.729 1.00 10.00 C ATOM 99 CG ARG A 7 7.316 -23.374 -15.629 1.00 10.00 C ATOM 100 CD ARG A 7 7.325 -22.074 -16.443 1.00 10.00 C ATOM 101 NE ARG A 7 6.003 -21.435 -16.424 1.00 10.00 N ATOM 102 CZ ARG A 7 5.699 -20.305 -17.079 1.00 10.00 C ATOM 103 NH1 ARG A 7 6.624 -19.683 -17.818 1.00 10.00 N ATOM 104 NH2 ARG A 7 4.463 -19.803 -16.988 1.00 10.00 N ATOM 0 H ARG A 7 11.443 -24.701 -14.747 1.00 10.00 H new ATOM 0 HA ARG A 7 9.711 -22.393 -15.147 1.00 10.00 H new ATOM 0 HB2 ARG A 7 8.932 -24.210 -16.779 1.00 10.00 H new ATOM 0 HB3 ARG A 7 8.512 -25.143 -15.356 1.00 10.00 H new ATOM 0 HG2 ARG A 7 6.510 -24.017 -15.982 1.00 10.00 H new ATOM 0 HG3 ARG A 7 7.107 -23.145 -14.584 1.00 10.00 H new ATOM 0 HD2 ARG A 7 8.070 -21.390 -16.036 1.00 10.00 H new ATOM 0 HD3 ARG A 7 7.616 -22.286 -17.472 1.00 10.00 H new ATOM 0 HE ARG A 7 5.267 -21.880 -15.876 1.00 10.00 H new ATOM 0 HH11 ARG A 7 7.566 -20.068 -17.886 1.00 10.00 H new ATOM 0 HH12 ARG A 7 6.387 -18.824 -18.314 1.00 10.00 H new ATOM 0 HH21 ARG A 7 3.759 -20.279 -16.423 1.00 10.00 H new ATOM 0 HH22 ARG A 7 4.224 -18.944 -17.483 1.00 10.00 H new ATOM 118 N ILE A 8 10.851 -23.452 -12.756 1.00 10.00 N ATOM 119 CA ILE A 8 10.992 -23.676 -11.324 1.00 10.00 C ATOM 120 C ILE A 8 9.867 -22.975 -10.535 1.00 10.00 C ATOM 121 O ILE A 8 9.792 -21.743 -10.555 1.00 10.00 O ATOM 122 CB ILE A 8 12.410 -23.279 -10.847 1.00 10.00 C ATOM 123 CG1 ILE A 8 12.522 -23.446 -9.319 1.00 10.00 C ATOM 124 CG2 ILE A 8 12.865 -21.896 -11.345 1.00 10.00 C ATOM 125 CD1 ILE A 8 13.959 -23.327 -8.799 1.00 10.00 C ATOM 0 H ILE A 8 11.695 -23.083 -13.193 1.00 10.00 H new ATOM 0 HA ILE A 8 10.881 -24.741 -11.122 1.00 10.00 H new ATOM 0 HB ILE A 8 13.116 -23.968 -11.311 1.00 10.00 H new ATOM 0 HG12 ILE A 8 11.903 -22.692 -8.832 1.00 10.00 H new ATOM 0 HG13 ILE A 8 12.120 -24.419 -9.037 1.00 10.00 H new ATOM 0 HG21 ILE A 8 13.867 -21.686 -10.971 1.00 10.00 H new ATOM 0 HG22 ILE A 8 12.875 -21.887 -12.435 1.00 10.00 H new ATOM 0 HG23 ILE A 8 12.176 -21.134 -10.982 1.00 10.00 H new ATOM 0 HD11 ILE A 8 13.966 -23.454 -7.716 1.00 10.00 H new ATOM 0 HD12 ILE A 8 14.577 -24.098 -9.259 1.00 10.00 H new ATOM 0 HD13 ILE A 8 14.357 -22.344 -9.051 1.00 10.00 H new ATOM 137 N PRO A 9 8.995 -23.722 -9.826 1.00 10.00 N ATOM 138 CA PRO A 9 7.926 -23.146 -9.022 1.00 10.00 C ATOM 139 C PRO A 9 8.564 -22.531 -7.776 1.00 10.00 C ATOM 140 O PRO A 9 8.556 -23.110 -6.691 1.00 10.00 O ATOM 141 CB PRO A 9 6.986 -24.309 -8.700 1.00 10.00 C ATOM 142 CG PRO A 9 7.925 -25.513 -8.662 1.00 10.00 C ATOM 143 CD PRO A 9 8.974 -25.176 -9.722 1.00 10.00 C ATOM 0 HA PRO A 9 7.363 -22.356 -9.518 1.00 10.00 H new ATOM 0 HB2 PRO A 9 6.477 -24.164 -7.747 1.00 10.00 H new ATOM 0 HB3 PRO A 9 6.213 -24.425 -9.460 1.00 10.00 H new ATOM 0 HG2 PRO A 9 8.375 -25.641 -7.678 1.00 10.00 H new ATOM 0 HG3 PRO A 9 7.400 -26.439 -8.896 1.00 10.00 H new ATOM 0 HD2 PRO A 9 9.953 -25.560 -9.436 1.00 10.00 H new ATOM 0 HD3 PRO A 9 8.720 -25.631 -10.679 1.00 10.00 H new ATOM 151 N THR A 10 9.174 -21.365 -7.963 1.00 10.00 N ATOM 152 CA THR A 10 9.951 -20.664 -6.959 1.00 10.00 C ATOM 153 C THR A 10 9.044 -20.008 -5.910 1.00 10.00 C ATOM 154 O THR A 10 9.002 -18.784 -5.781 1.00 10.00 O ATOM 155 CB THR A 10 10.902 -19.677 -7.661 1.00 10.00 C ATOM 156 OG1 THR A 10 11.436 -20.224 -8.851 1.00 10.00 O ATOM 157 CG2 THR A 10 12.113 -19.397 -6.772 1.00 10.00 C ATOM 0 H THR A 10 9.136 -20.868 -8.853 1.00 10.00 H new ATOM 0 HA THR A 10 10.565 -21.369 -6.399 1.00 10.00 H new ATOM 0 HB THR A 10 10.316 -18.782 -7.869 1.00 10.00 H new ATOM 0 HG1 THR A 10 12.034 -19.571 -9.272 1.00 10.00 H new ATOM 0 HG21 THR A 10 12.781 -18.698 -7.276 1.00 10.00 H new ATOM 0 HG22 THR A 10 11.780 -18.964 -5.829 1.00 10.00 H new ATOM 0 HG23 THR A 10 12.644 -20.329 -6.576 1.00 10.00 H new ATOM 165 N LEU A 11 8.315 -20.838 -5.162 1.00 10.00 N ATOM 166 CA LEU A 11 7.417 -20.409 -4.105 1.00 10.00 C ATOM 167 C LEU A 11 8.190 -20.270 -2.796 1.00 10.00 C ATOM 168 O LEU A 11 9.100 -21.047 -2.517 1.00 10.00 O ATOM 169 CB LEU A 11 6.255 -21.398 -3.951 1.00 10.00 C ATOM 170 CG LEU A 11 5.404 -21.548 -5.223 1.00 10.00 C ATOM 171 CD1 LEU A 11 4.251 -22.517 -4.944 1.00 10.00 C ATOM 172 CD2 LEU A 11 4.838 -20.201 -5.691 1.00 10.00 C ATOM 0 H LEU A 11 8.338 -21.851 -5.283 1.00 10.00 H new ATOM 0 HA LEU A 11 6.997 -19.438 -4.368 1.00 10.00 H new ATOM 0 HB2 LEU A 11 6.653 -22.374 -3.673 1.00 10.00 H new ATOM 0 HB3 LEU A 11 5.615 -21.070 -3.132 1.00 10.00 H new ATOM 0 HG LEU A 11 6.044 -21.934 -6.016 1.00 10.00 H new ATOM 0 HD11 LEU A 11 3.643 -22.628 -5.842 1.00 10.00 H new ATOM 0 HD12 LEU A 11 4.654 -23.488 -4.656 1.00 10.00 H new ATOM 0 HD13 LEU A 11 3.634 -22.125 -4.135 1.00 10.00 H new ATOM 0 HD21 LEU A 11 4.243 -20.350 -6.592 1.00 10.00 H new ATOM 0 HD22 LEU A 11 4.210 -19.778 -4.907 1.00 10.00 H new ATOM 0 HD23 LEU A 11 5.659 -19.517 -5.907 1.00 10.00 H new ATOM 184 N GLU A 12 7.815 -19.267 -2.004 1.00 10.00 N ATOM 185 CA GLU A 12 8.392 -18.929 -0.720 1.00 10.00 C ATOM 186 C GLU A 12 7.267 -18.962 0.310 1.00 10.00 C ATOM 187 O GLU A 12 6.194 -18.399 0.077 1.00 10.00 O ATOM 188 CB GLU A 12 9.009 -17.526 -0.792 1.00 10.00 C ATOM 189 CG GLU A 12 10.005 -17.399 -1.951 1.00 10.00 C ATOM 190 CD GLU A 12 10.646 -16.016 -1.989 1.00 10.00 C ATOM 191 OE1 GLU A 12 9.882 -15.036 -2.112 1.00 10.00 O ATOM 192 OE2 GLU A 12 11.893 -15.965 -1.907 1.00 10.00 O ATOM 0 H GLU A 12 7.056 -18.637 -2.263 1.00 10.00 H new ATOM 0 HA GLU A 12 9.176 -19.634 -0.443 1.00 10.00 H new ATOM 0 HB2 GLU A 12 8.217 -16.787 -0.911 1.00 10.00 H new ATOM 0 HB3 GLU A 12 9.515 -17.303 0.148 1.00 10.00 H new ATOM 0 HG2 GLU A 12 10.781 -18.158 -1.850 1.00 10.00 H new ATOM 0 HG3 GLU A 12 9.493 -17.590 -2.894 1.00 10.00 H new ATOM 199 N GLU A 13 7.516 -19.618 1.443 1.00 10.00 N ATOM 200 CA GLU A 13 6.563 -19.711 2.533 1.00 10.00 C ATOM 201 C GLU A 13 6.461 -18.339 3.198 1.00 10.00 C ATOM 202 O GLU A 13 7.485 -17.757 3.558 1.00 10.00 O ATOM 203 CB GLU A 13 7.059 -20.763 3.537 1.00 10.00 C ATOM 204 CG GLU A 13 6.004 -21.033 4.613 1.00 10.00 C ATOM 205 CD GLU A 13 6.525 -21.940 5.724 1.00 10.00 C ATOM 206 OE1 GLU A 13 6.965 -23.059 5.384 1.00 10.00 O ATOM 207 OE2 GLU A 13 6.470 -21.493 6.890 1.00 10.00 O ATOM 0 H GLU A 13 8.395 -20.102 1.625 1.00 10.00 H new ATOM 0 HA GLU A 13 5.580 -20.010 2.170 1.00 10.00 H new ATOM 0 HB2 GLU A 13 7.294 -21.689 3.013 1.00 10.00 H new ATOM 0 HB3 GLU A 13 7.981 -20.418 4.005 1.00 10.00 H new ATOM 0 HG2 GLU A 13 5.678 -20.086 5.044 1.00 10.00 H new ATOM 0 HG3 GLU A 13 5.129 -21.492 4.153 1.00 10.00 H new ATOM 214 N CYS A 14 5.247 -17.817 3.397 1.00 10.00 N ATOM 215 CA CYS A 14 5.100 -16.542 4.075 1.00 10.00 C ATOM 216 C CYS A 14 5.327 -16.760 5.576 1.00 10.00 C ATOM 217 O CYS A 14 4.385 -17.016 6.333 1.00 10.00 O ATOM 218 CB CYS A 14 3.727 -15.933 3.806 1.00 10.00 C ATOM 219 SG CYS A 14 3.583 -14.225 4.400 1.00 10.00 S ATOM 0 H CYS A 14 4.373 -18.253 3.102 1.00 10.00 H new ATOM 0 HA CYS A 14 5.839 -15.836 3.694 1.00 10.00 H new ATOM 0 HB2 CYS A 14 3.528 -15.958 2.735 1.00 10.00 H new ATOM 0 HB3 CYS A 14 2.963 -16.545 4.286 1.00 10.00 H new ATOM 224 N ASP A 15 6.586 -16.664 6.004 1.00 10.00 N ATOM 225 CA ASP A 15 7.009 -16.817 7.395 1.00 10.00 C ATOM 226 C ASP A 15 6.132 -15.986 8.338 1.00 10.00 C ATOM 227 O ASP A 15 5.766 -16.449 9.415 1.00 10.00 O ATOM 228 CB ASP A 15 8.493 -16.450 7.545 1.00 10.00 C ATOM 229 CG ASP A 15 8.757 -14.954 7.377 1.00 10.00 C ATOM 230 OD1 ASP A 15 8.358 -14.421 6.318 1.00 10.00 O ATOM 231 OD2 ASP A 15 9.327 -14.366 8.320 1.00 10.00 O ATOM 0 H ASP A 15 7.363 -16.472 5.372 1.00 10.00 H new ATOM 0 HA ASP A 15 6.886 -17.863 7.677 1.00 10.00 H new ATOM 0 HB2 ASP A 15 8.843 -16.767 8.527 1.00 10.00 H new ATOM 0 HB3 ASP A 15 9.075 -17.001 6.806 1.00 10.00 H new ATOM 236 N VAL A 16 5.769 -14.773 7.909 1.00 10.00 N ATOM 237 CA VAL A 16 4.910 -13.846 8.639 1.00 10.00 C ATOM 238 C VAL A 16 3.619 -14.516 9.132 1.00 10.00 C ATOM 239 O VAL A 16 3.142 -14.177 10.212 1.00 10.00 O ATOM 240 CB VAL A 16 4.661 -12.606 7.755 1.00 10.00 C ATOM 241 CG1 VAL A 16 3.632 -11.649 8.357 1.00 10.00 C ATOM 242 CG2 VAL A 16 5.967 -11.832 7.528 1.00 10.00 C ATOM 0 H VAL A 16 6.078 -14.400 7.011 1.00 10.00 H new ATOM 0 HA VAL A 16 5.411 -13.521 9.551 1.00 10.00 H new ATOM 0 HB VAL A 16 4.270 -12.983 6.810 1.00 10.00 H new ATOM 0 HG11 VAL A 16 3.497 -10.795 7.693 1.00 10.00 H new ATOM 0 HG12 VAL A 16 2.681 -12.167 8.480 1.00 10.00 H new ATOM 0 HG13 VAL A 16 3.983 -11.301 9.328 1.00 10.00 H new ATOM 0 HG21 VAL A 16 5.770 -10.961 6.902 1.00 10.00 H new ATOM 0 HG22 VAL A 16 6.368 -11.506 8.488 1.00 10.00 H new ATOM 0 HG23 VAL A 16 6.692 -12.478 7.033 1.00 10.00 H new ATOM 252 N CYS A 17 3.071 -15.482 8.383 1.00 10.00 N ATOM 253 CA CYS A 17 1.890 -16.240 8.796 1.00 10.00 C ATOM 254 C CYS A 17 2.207 -17.734 8.871 1.00 10.00 C ATOM 255 O CYS A 17 1.325 -18.572 8.681 1.00 10.00 O ATOM 256 CB CYS A 17 0.733 -15.975 7.835 1.00 10.00 C ATOM 257 SG CYS A 17 1.049 -16.356 6.109 1.00 10.00 S ATOM 0 H CYS A 17 3.438 -15.758 7.472 1.00 10.00 H new ATOM 0 HA CYS A 17 1.593 -15.911 9.792 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -0.128 -16.556 8.164 1.00 10.00 H new ATOM 0 HB3 CYS A 17 0.456 -14.924 7.911 1.00 10.00 H new ATOM 262 N HIS A 18 3.476 -18.068 9.122 1.00 10.00 N ATOM 263 CA HIS A 18 3.989 -19.427 9.216 1.00 10.00 C ATOM 264 C HIS A 18 3.455 -20.309 8.081 1.00 10.00 C ATOM 265 O HIS A 18 3.066 -21.458 8.290 1.00 10.00 O ATOM 266 CB HIS A 18 3.759 -19.990 10.628 1.00 10.00 C ATOM 267 CG HIS A 18 2.314 -20.188 11.016 1.00 10.00 C ATOM 268 ND1 HIS A 18 1.477 -21.147 10.500 1.00 10.00 N ATOM 269 CD2 HIS A 18 1.598 -19.463 11.933 1.00 10.00 C ATOM 270 CE1 HIS A 18 0.284 -21.014 11.106 1.00 10.00 C ATOM 271 NE2 HIS A 18 0.306 -19.998 11.984 1.00 10.00 N ATOM 0 H HIS A 18 4.200 -17.365 9.271 1.00 10.00 H new ATOM 0 HA HIS A 18 5.069 -19.417 9.072 1.00 10.00 H new ATOM 0 HB2 HIS A 18 4.274 -20.947 10.708 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.223 -19.317 11.349 1.00 10.00 H new ATOM 0 HD1 HIS A 18 1.717 -21.835 9.786 1.00 10.00 H new ATOM 0 HD2 HIS A 18 1.965 -18.629 12.512 1.00 10.00 H new ATOM 0 HE1 HIS A 18 -0.575 -21.639 10.913 1.00 10.00 H new ATOM 279 N GLY A 19 3.417 -19.751 6.868 1.00 10.00 N ATOM 280 CA GLY A 19 2.968 -20.468 5.687 1.00 10.00 C ATOM 281 C GLY A 19 1.462 -20.718 5.585 1.00 10.00 C ATOM 282 O GLY A 19 1.033 -21.270 4.573 1.00 10.00 O ATOM 0 H GLY A 19 3.698 -18.788 6.684 1.00 10.00 H new ATOM 0 HA2 GLY A 19 3.284 -19.910 4.806 1.00 10.00 H new ATOM 0 HA3 GLY A 19 3.479 -21.430 5.655 1.00 10.00 H new ATOM 286 N SER A 20 0.652 -20.346 6.584 1.00 10.00 N ATOM 287 CA SER A 20 -0.784 -20.603 6.539 1.00 10.00 C ATOM 288 C SER A 20 -1.492 -19.552 5.693 1.00 10.00 C ATOM 289 O SER A 20 -1.971 -19.829 4.599 1.00 10.00 O ATOM 290 CB SER A 20 -1.378 -20.672 7.952 1.00 10.00 C ATOM 291 OG SER A 20 -1.238 -19.454 8.671 1.00 10.00 O ATOM 0 H SER A 20 0.969 -19.868 7.428 1.00 10.00 H new ATOM 0 HA SER A 20 -0.940 -21.574 6.070 1.00 10.00 H new ATOM 0 HB2 SER A 20 -2.435 -20.928 7.884 1.00 10.00 H new ATOM 0 HB3 SER A 20 -0.891 -21.474 8.507 1.00 10.00 H new ATOM 0 HG SER A 20 -0.295 -19.186 8.680 1.00 10.00 H new ATOM 297 N GLY A 21 -1.569 -18.342 6.238 1.00 10.00 N ATOM 298 CA GLY A 21 -2.235 -17.203 5.639 1.00 10.00 C ATOM 299 C GLY A 21 -2.889 -16.310 6.692 1.00 10.00 C ATOM 300 O GLY A 21 -3.315 -15.216 6.347 1.00 10.00 O ATOM 0 H GLY A 21 -1.152 -18.125 7.143 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -1.514 -16.621 5.066 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -2.993 -17.552 4.937 1.00 10.00 H new ATOM 304 N ALA A 22 -2.986 -16.725 7.962 1.00 10.00 N ATOM 305 CA ALA A 22 -3.573 -15.873 8.997 1.00 10.00 C ATOM 306 C ALA A 22 -2.503 -14.910 9.525 1.00 10.00 C ATOM 307 O ALA A 22 -1.362 -15.325 9.704 1.00 10.00 O ATOM 308 CB ALA A 22 -4.141 -16.736 10.121 1.00 10.00 C ATOM 0 H ALA A 22 -2.668 -17.636 8.292 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.391 -15.288 8.577 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -4.576 -16.095 10.888 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -4.911 -17.396 9.720 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -3.342 -17.335 10.559 1.00 10.00 H new ATOM 314 N LYS A 23 -2.835 -13.633 9.745 1.00 10.00 N ATOM 315 CA LYS A 23 -1.868 -12.636 10.208 1.00 10.00 C ATOM 316 C LYS A 23 -1.096 -13.113 11.461 1.00 10.00 C ATOM 317 O LYS A 23 -1.605 -13.945 12.212 1.00 10.00 O ATOM 318 CB LYS A 23 -2.540 -11.248 10.300 1.00 10.00 C ATOM 319 CG LYS A 23 -3.708 -11.103 11.283 1.00 10.00 C ATOM 320 CD LYS A 23 -3.335 -11.081 12.772 1.00 10.00 C ATOM 321 CE LYS A 23 -2.402 -9.932 13.164 1.00 10.00 C ATOM 322 NZ LYS A 23 -2.097 -9.983 14.603 1.00 10.00 N ATOM 0 H LYS A 23 -3.776 -13.265 9.608 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.074 -12.515 9.471 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.776 -10.519 10.572 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -2.898 -10.979 9.306 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -4.242 -10.182 11.049 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -4.403 -11.926 11.115 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -4.248 -11.012 13.364 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -2.858 -12.027 13.031 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -1.479 -9.993 12.588 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.868 -8.978 12.919 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -1.607 -9.110 14.885 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.982 -10.073 15.142 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -1.487 -10.802 14.800 1.00 10.00 H new ATOM 336 N PRO A 24 0.146 -12.638 11.680 1.00 10.00 N ATOM 337 CA PRO A 24 1.015 -13.087 12.763 1.00 10.00 C ATOM 338 C PRO A 24 0.330 -13.165 14.130 1.00 10.00 C ATOM 339 O PRO A 24 -0.489 -12.318 14.485 1.00 10.00 O ATOM 340 CB PRO A 24 2.225 -12.141 12.780 1.00 10.00 C ATOM 341 CG PRO A 24 1.826 -10.993 11.852 1.00 10.00 C ATOM 342 CD PRO A 24 0.863 -11.666 10.879 1.00 10.00 C ATOM 0 HA PRO A 24 1.316 -14.117 12.572 1.00 10.00 H new ATOM 0 HB2 PRO A 24 2.434 -11.782 13.788 1.00 10.00 H new ATOM 0 HB3 PRO A 24 3.126 -12.642 12.427 1.00 10.00 H new ATOM 0 HG2 PRO A 24 1.348 -10.179 12.397 1.00 10.00 H new ATOM 0 HG3 PRO A 24 2.689 -10.569 11.339 1.00 10.00 H new ATOM 0 HD2 PRO A 24 0.182 -10.942 10.432 1.00 10.00 H new ATOM 0 HD3 PRO A 24 1.399 -12.146 10.060 1.00 10.00 H new ATOM 350 N GLY A 25 0.677 -14.194 14.910 1.00 10.00 N ATOM 351 CA GLY A 25 0.136 -14.418 16.242 1.00 10.00 C ATOM 352 C GLY A 25 -1.270 -15.012 16.181 1.00 10.00 C ATOM 353 O GLY A 25 -1.520 -16.091 16.719 1.00 10.00 O ATOM 0 H GLY A 25 1.353 -14.902 14.623 1.00 10.00 H new ATOM 0 HA2 GLY A 25 0.793 -15.090 16.795 1.00 10.00 H new ATOM 0 HA3 GLY A 25 0.111 -13.476 16.789 1.00 10.00 H new ATOM 357 N THR A 26 -2.200 -14.311 15.531 1.00 10.00 N ATOM 358 CA THR A 26 -3.578 -14.753 15.405 1.00 10.00 C ATOM 359 C THR A 26 -3.661 -15.925 14.419 1.00 10.00 C ATOM 360 O THR A 26 -3.966 -15.755 13.243 1.00 10.00 O ATOM 361 CB THR A 26 -4.468 -13.557 15.032 1.00 10.00 C ATOM 362 OG1 THR A 26 -3.947 -12.375 15.615 1.00 10.00 O ATOM 363 CG2 THR A 26 -5.889 -13.758 15.560 1.00 10.00 C ATOM 0 H THR A 26 -2.012 -13.417 15.077 1.00 10.00 H new ATOM 0 HA THR A 26 -3.953 -15.132 16.356 1.00 10.00 H new ATOM 0 HB THR A 26 -4.487 -13.475 13.945 1.00 10.00 H new ATOM 0 HG1 THR A 26 -4.594 -11.646 15.511 1.00 10.00 H new ATOM 0 HG21 THR A 26 -6.504 -12.901 15.286 1.00 10.00 H new ATOM 0 HG22 THR A 26 -6.314 -14.663 15.126 1.00 10.00 H new ATOM 0 HG23 THR A 26 -5.864 -13.854 16.645 1.00 10.00 H new ATOM 371 N GLN A 27 -3.360 -17.126 14.917 1.00 10.00 N ATOM 372 CA GLN A 27 -3.311 -18.356 14.139 1.00 10.00 C ATOM 373 C GLN A 27 -4.635 -18.644 13.410 1.00 10.00 C ATOM 374 O GLN A 27 -5.692 -18.170 13.833 1.00 10.00 O ATOM 375 CB GLN A 27 -2.981 -19.511 15.101 1.00 10.00 C ATOM 376 CG GLN A 27 -3.976 -19.619 16.271 1.00 10.00 C ATOM 377 CD GLN A 27 -4.136 -21.061 16.742 1.00 10.00 C ATOM 378 OE1 GLN A 27 -3.644 -21.436 17.799 1.00 10.00 O ATOM 379 NE2 GLN A 27 -4.833 -21.883 15.961 1.00 10.00 N ATOM 0 H GLN A 27 -3.138 -17.269 15.902 1.00 10.00 H new ATOM 0 HA GLN A 27 -2.547 -18.251 13.369 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -2.977 -20.449 14.546 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -1.975 -19.371 15.498 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -3.632 -19.001 17.100 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -4.945 -19.227 15.962 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -5.230 -21.541 15.086 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -4.970 -22.855 16.237 1.00 10.00 H new ATOM 388 N PRO A 28 -4.604 -19.443 12.328 1.00 10.00 N ATOM 389 CA PRO A 28 -5.809 -19.833 11.615 1.00 10.00 C ATOM 390 C PRO A 28 -6.588 -20.852 12.452 1.00 10.00 C ATOM 391 O PRO A 28 -6.193 -21.169 13.576 1.00 10.00 O ATOM 392 CB PRO A 28 -5.303 -20.479 10.325 1.00 10.00 C ATOM 393 CG PRO A 28 -3.991 -21.122 10.768 1.00 10.00 C ATOM 394 CD PRO A 28 -3.435 -20.082 11.731 1.00 10.00 C ATOM 0 HA PRO A 28 -6.476 -18.994 11.417 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -6.006 -21.217 9.938 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -5.148 -19.743 9.536 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -4.153 -22.084 11.255 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -3.320 -21.299 9.928 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -2.809 -20.547 12.493 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -2.814 -19.355 11.208 1.00 10.00 H new ATOM 402 N GLN A 29 -7.674 -21.403 11.899 1.00 10.00 N ATOM 403 CA GLN A 29 -8.446 -22.460 12.567 1.00 10.00 C ATOM 404 C GLN A 29 -8.424 -23.715 11.690 1.00 10.00 C ATOM 405 O GLN A 29 -8.189 -23.608 10.494 1.00 10.00 O ATOM 406 CB GLN A 29 -9.874 -21.974 12.853 1.00 10.00 C ATOM 407 CG GLN A 29 -9.927 -20.720 13.740 1.00 10.00 C ATOM 408 CD GLN A 29 -9.539 -20.995 15.193 1.00 10.00 C ATOM 409 OE1 GLN A 29 -10.405 -21.155 16.045 1.00 10.00 O ATOM 410 NE2 GLN A 29 -8.247 -21.054 15.499 1.00 10.00 N ATOM 0 H GLN A 29 -8.041 -21.134 10.986 1.00 10.00 H new ATOM 0 HA GLN A 29 -7.999 -22.708 13.530 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -10.374 -21.762 11.908 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -10.432 -22.776 13.336 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -9.259 -19.963 13.329 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -10.934 -20.305 13.712 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -7.544 -20.918 14.773 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -7.958 -21.236 16.460 1.00 10.00 H new ATOM 419 N THR A 30 -8.626 -24.915 12.236 1.00 10.00 N ATOM 420 CA THR A 30 -8.596 -26.142 11.442 1.00 10.00 C ATOM 421 C THR A 30 -9.755 -26.161 10.440 1.00 10.00 C ATOM 422 O THR A 30 -10.891 -25.929 10.841 1.00 10.00 O ATOM 423 CB THR A 30 -8.716 -27.338 12.396 1.00 10.00 C ATOM 424 OG1 THR A 30 -7.898 -27.111 13.528 1.00 10.00 O ATOM 425 CG2 THR A 30 -8.313 -28.652 11.720 1.00 10.00 C ATOM 0 H THR A 30 -8.813 -25.062 13.228 1.00 10.00 H new ATOM 0 HA THR A 30 -7.661 -26.194 10.884 1.00 10.00 H new ATOM 0 HB THR A 30 -9.760 -27.431 12.695 1.00 10.00 H new ATOM 0 HG1 THR A 30 -7.972 -27.871 14.142 1.00 10.00 H new ATOM 0 HG21 THR A 30 -8.413 -29.472 12.431 1.00 10.00 H new ATOM 0 HG22 THR A 30 -8.961 -28.834 10.863 1.00 10.00 H new ATOM 0 HG23 THR A 30 -7.278 -28.586 11.385 1.00 10.00 H new ATOM 433 N CYS A 31 -9.508 -26.459 9.156 1.00 10.00 N ATOM 434 CA CYS A 31 -10.597 -26.555 8.189 1.00 10.00 C ATOM 435 C CYS A 31 -11.360 -27.867 8.410 1.00 10.00 C ATOM 436 O CYS A 31 -10.780 -28.932 8.193 1.00 10.00 O ATOM 437 CB CYS A 31 -10.060 -26.491 6.759 1.00 10.00 C ATOM 438 SG CYS A 31 -11.380 -26.473 5.519 1.00 10.00 S ATOM 0 H CYS A 31 -8.579 -26.634 8.773 1.00 10.00 H new ATOM 0 HA CYS A 31 -11.273 -25.712 8.334 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -9.447 -25.597 6.645 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -9.410 -27.348 6.580 1.00 10.00 H new ATOM 443 N PRO A 32 -12.640 -27.844 8.815 1.00 10.00 N ATOM 444 CA PRO A 32 -13.385 -29.067 9.052 1.00 10.00 C ATOM 445 C PRO A 32 -13.675 -29.783 7.733 1.00 10.00 C ATOM 446 O PRO A 32 -13.616 -31.009 7.677 1.00 10.00 O ATOM 447 CB PRO A 32 -14.655 -28.634 9.785 1.00 10.00 C ATOM 448 CG PRO A 32 -14.897 -27.217 9.268 1.00 10.00 C ATOM 449 CD PRO A 32 -13.478 -26.679 9.075 1.00 10.00 C ATOM 0 HA PRO A 32 -12.829 -29.788 9.652 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -15.494 -29.293 9.559 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -14.520 -28.649 10.866 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -15.460 -27.218 8.334 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -15.463 -26.618 9.981 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -13.437 -25.975 8.244 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -13.139 -26.144 9.962 1.00 10.00 H new ATOM 457 N THR A 33 -13.964 -29.022 6.670 1.00 10.00 N ATOM 458 CA THR A 33 -14.281 -29.509 5.333 1.00 10.00 C ATOM 459 C THR A 33 -13.320 -30.601 4.851 1.00 10.00 C ATOM 460 O THR A 33 -13.751 -31.553 4.205 1.00 10.00 O ATOM 461 CB THR A 33 -14.282 -28.304 4.380 1.00 10.00 C ATOM 462 OG1 THR A 33 -14.762 -27.159 5.066 1.00 10.00 O ATOM 463 CG2 THR A 33 -15.147 -28.553 3.142 1.00 10.00 C ATOM 0 H THR A 33 -13.982 -28.004 6.727 1.00 10.00 H new ATOM 0 HA THR A 33 -15.263 -29.981 5.354 1.00 10.00 H new ATOM 0 HB THR A 33 -13.257 -28.145 4.045 1.00 10.00 H new ATOM 0 HG1 THR A 33 -14.271 -26.367 4.764 1.00 10.00 H new ATOM 0 HG21 THR A 33 -15.119 -27.676 2.496 1.00 10.00 H new ATOM 0 HG22 THR A 33 -14.764 -29.416 2.598 1.00 10.00 H new ATOM 0 HG23 THR A 33 -16.175 -28.745 3.449 1.00 10.00 H new ATOM 471 N CYS A 34 -12.027 -30.462 5.166 1.00 10.00 N ATOM 472 CA CYS A 34 -10.995 -31.428 4.804 1.00 10.00 C ATOM 473 C CYS A 34 -10.318 -32.013 6.048 1.00 10.00 C ATOM 474 O CYS A 34 -9.201 -32.519 5.956 1.00 10.00 O ATOM 475 CB CYS A 34 -9.971 -30.758 3.884 1.00 10.00 C ATOM 476 SG CYS A 34 -9.153 -29.290 4.540 1.00 10.00 S ATOM 0 H CYS A 34 -11.668 -29.662 5.687 1.00 10.00 H new ATOM 0 HA CYS A 34 -11.461 -32.258 4.273 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -9.206 -31.492 3.630 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -10.472 -30.485 2.955 1.00 10.00 H new ATOM 481 N HIS A 35 -10.969 -31.934 7.211 1.00 10.00 N ATOM 482 CA HIS A 35 -10.452 -32.432 8.484 1.00 10.00 C ATOM 483 C HIS A 35 -8.989 -32.013 8.700 1.00 10.00 C ATOM 484 O HIS A 35 -8.156 -32.810 9.121 1.00 10.00 O ATOM 485 CB HIS A 35 -10.627 -33.957 8.574 1.00 10.00 C ATOM 486 CG HIS A 35 -12.035 -34.473 8.382 1.00 10.00 C ATOM 487 ND1 HIS A 35 -13.184 -33.729 8.221 1.00 10.00 N ATOM 488 CD2 HIS A 35 -12.394 -35.794 8.331 1.00 10.00 C ATOM 489 CE1 HIS A 35 -14.207 -34.588 8.072 1.00 10.00 C ATOM 490 NE2 HIS A 35 -13.777 -35.858 8.134 1.00 10.00 N ATOM 0 H HIS A 35 -11.893 -31.511 7.293 1.00 10.00 H new ATOM 0 HA HIS A 35 -11.032 -31.979 9.288 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -9.985 -34.422 7.825 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -10.270 -34.287 9.549 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -13.247 -32.711 8.216 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -11.726 -36.638 8.426 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -15.236 -34.296 7.923 1.00 10.00 H new ATOM 498 N GLY A 36 -8.678 -30.750 8.405 1.00 10.00 N ATOM 499 CA GLY A 36 -7.349 -30.187 8.578 1.00 10.00 C ATOM 500 C GLY A 36 -6.288 -30.665 7.579 1.00 10.00 C ATOM 501 O GLY A 36 -5.154 -30.204 7.669 1.00 10.00 O ATOM 0 H GLY A 36 -9.356 -30.084 8.034 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -7.423 -29.102 8.510 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -7.004 -30.420 9.585 1.00 10.00 H new ATOM 505 N SER A 37 -6.602 -31.565 6.637 1.00 10.00 N ATOM 506 CA SER A 37 -5.596 -32.060 5.699 1.00 10.00 C ATOM 507 C SER A 37 -5.186 -30.975 4.702 1.00 10.00 C ATOM 508 O SER A 37 -4.029 -30.574 4.622 1.00 10.00 O ATOM 509 CB SER A 37 -6.111 -33.306 4.960 1.00 10.00 C ATOM 510 OG SER A 37 -7.247 -33.014 4.161 1.00 10.00 O ATOM 0 H SER A 37 -7.534 -31.959 6.508 1.00 10.00 H new ATOM 0 HA SER A 37 -4.712 -32.338 6.273 1.00 10.00 H new ATOM 0 HB2 SER A 37 -5.318 -33.709 4.330 1.00 10.00 H new ATOM 0 HB3 SER A 37 -6.366 -34.079 5.685 1.00 10.00 H new ATOM 0 HG SER A 37 -8.025 -32.868 4.739 1.00 10.00 H new ATOM 516 N GLY A 38 -6.168 -30.554 3.907 1.00 10.00 N ATOM 517 CA GLY A 38 -6.049 -29.599 2.820 1.00 10.00 C ATOM 518 C GLY A 38 -6.658 -30.143 1.525 1.00 10.00 C ATOM 519 O GLY A 38 -6.525 -29.491 0.490 1.00 10.00 O ATOM 0 H GLY A 38 -7.123 -30.894 4.016 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -6.547 -28.669 3.095 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -4.998 -29.361 2.657 1.00 10.00 H new ATOM 523 N GLN A 39 -7.333 -31.304 1.550 1.00 10.00 N ATOM 524 CA GLN A 39 -7.946 -31.892 0.362 1.00 10.00 C ATOM 525 C GLN A 39 -9.367 -32.388 0.643 1.00 10.00 C ATOM 526 O GLN A 39 -9.662 -32.854 1.739 1.00 10.00 O ATOM 527 CB GLN A 39 -7.057 -33.011 -0.193 1.00 10.00 C ATOM 528 CG GLN A 39 -6.642 -34.051 0.862 1.00 10.00 C ATOM 529 CD GLN A 39 -6.104 -35.317 0.204 1.00 10.00 C ATOM 530 OE1 GLN A 39 -6.432 -36.430 0.608 1.00 10.00 O ATOM 531 NE2 GLN A 39 -5.281 -35.162 -0.828 1.00 10.00 N ATOM 0 H GLN A 39 -7.465 -31.856 2.397 1.00 10.00 H new ATOM 0 HA GLN A 39 -8.031 -31.114 -0.397 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -7.586 -33.517 -1.001 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -6.160 -32.569 -0.627 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -5.881 -33.626 1.516 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -7.498 -34.299 1.489 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -5.026 -34.225 -1.141 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -4.904 -35.980 -1.307 1.00 10.00 H new ATOM 540 N VAL A 40 -10.234 -32.300 -0.366 1.00 10.00 N ATOM 541 CA VAL A 40 -11.621 -32.741 -0.331 1.00 10.00 C ATOM 542 C VAL A 40 -11.766 -33.938 -1.258 1.00 10.00 C ATOM 543 O VAL A 40 -11.124 -33.961 -2.306 1.00 10.00 O ATOM 544 CB VAL A 40 -12.555 -31.621 -0.820 1.00 10.00 C ATOM 545 CG1 VAL A 40 -12.651 -30.513 0.226 1.00 10.00 C ATOM 546 CG2 VAL A 40 -12.121 -31.035 -2.175 1.00 10.00 C ATOM 0 H VAL A 40 -9.973 -31.901 -1.268 1.00 10.00 H new ATOM 0 HA VAL A 40 -11.890 -33.003 0.692 1.00 10.00 H new ATOM 0 HB VAL A 40 -13.537 -32.071 -0.966 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -13.316 -29.728 -0.135 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -13.046 -30.923 1.155 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -11.660 -30.095 0.406 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -12.816 -30.249 -2.471 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -11.118 -30.618 -2.086 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -12.121 -31.822 -2.929 1.00 10.00 H new ATOM 556 N GLN A 41 -12.631 -34.893 -0.906 1.00 10.00 N ATOM 557 CA GLN A 41 -12.931 -36.043 -1.742 1.00 10.00 C ATOM 558 C GLN A 41 -14.337 -35.863 -2.308 1.00 10.00 C ATOM 559 O GLN A 41 -15.318 -35.914 -1.565 1.00 10.00 O ATOM 560 CB GLN A 41 -12.785 -37.347 -0.953 1.00 10.00 C ATOM 561 CG GLN A 41 -12.838 -38.562 -1.896 1.00 10.00 C ATOM 562 CD GLN A 41 -12.732 -39.888 -1.150 1.00 10.00 C ATOM 563 OE1 GLN A 41 -12.938 -39.956 0.059 1.00 10.00 O ATOM 564 NE2 GLN A 41 -12.420 -40.963 -1.863 1.00 10.00 N ATOM 0 H GLN A 41 -13.143 -34.883 -0.024 1.00 10.00 H new ATOM 0 HA GLN A 41 -12.221 -36.109 -2.567 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -11.841 -37.344 -0.408 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -13.581 -37.421 -0.212 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -13.771 -38.540 -2.459 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -12.027 -38.491 -2.620 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -12.254 -40.879 -2.866 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -12.346 -41.873 -1.408 1.00 10.00 H new ATOM 573 N MET A 42 -14.446 -35.681 -3.623 1.00 10.00 N ATOM 574 CA MET A 42 -15.718 -35.572 -4.317 1.00 10.00 C ATOM 575 C MET A 42 -16.316 -36.978 -4.404 1.00 10.00 C ATOM 576 O MET A 42 -16.292 -37.615 -5.456 1.00 10.00 O ATOM 577 CB MET A 42 -15.489 -34.915 -5.688 1.00 10.00 C ATOM 578 CG MET A 42 -16.770 -34.738 -6.515 1.00 10.00 C ATOM 579 SD MET A 42 -18.196 -33.987 -5.685 1.00 10.00 S ATOM 580 CE MET A 42 -17.519 -32.369 -5.249 1.00 10.00 C ATOM 0 H MET A 42 -13.638 -35.605 -4.241 1.00 10.00 H new ATOM 0 HA MET A 42 -16.429 -34.937 -3.789 1.00 10.00 H new ATOM 0 HB2 MET A 42 -15.026 -33.939 -5.540 1.00 10.00 H new ATOM 0 HB3 MET A 42 -14.782 -35.520 -6.256 1.00 10.00 H new ATOM 0 HG2 MET A 42 -16.528 -34.130 -7.387 1.00 10.00 H new ATOM 0 HG3 MET A 42 -17.072 -35.718 -6.884 1.00 10.00 H new ATOM 0 HE1 MET A 42 -18.279 -31.785 -4.729 1.00 10.00 H new ATOM 0 HE2 MET A 42 -16.654 -32.500 -4.599 1.00 10.00 H new ATOM 0 HE3 MET A 42 -17.216 -31.845 -6.155 1.00 10.00 H new ATOM 590 N ARG A 43 -16.818 -37.476 -3.271 1.00 10.00 N ATOM 591 CA ARG A 43 -17.384 -38.810 -3.106 1.00 10.00 C ATOM 592 C ARG A 43 -18.735 -38.955 -3.822 1.00 10.00 C ATOM 593 O ARG A 43 -19.759 -39.240 -3.204 1.00 10.00 O ATOM 594 CB ARG A 43 -17.440 -39.141 -1.606 1.00 10.00 C ATOM 595 CG ARG A 43 -17.649 -40.639 -1.343 1.00 10.00 C ATOM 596 CD ARG A 43 -17.527 -40.955 0.152 1.00 10.00 C ATOM 597 NE ARG A 43 -16.159 -40.727 0.639 1.00 10.00 N ATOM 598 CZ ARG A 43 -15.776 -40.817 1.919 1.00 10.00 C ATOM 599 NH1 ARG A 43 -16.657 -41.151 2.868 1.00 10.00 N ATOM 600 NH2 ARG A 43 -14.502 -40.571 2.239 1.00 10.00 N ATOM 0 H ARG A 43 -16.840 -36.933 -2.408 1.00 10.00 H new ATOM 0 HA ARG A 43 -16.741 -39.546 -3.589 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -16.514 -38.818 -1.131 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -18.250 -38.577 -1.143 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -18.632 -40.942 -1.704 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -16.913 -41.217 -1.902 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -18.223 -40.333 0.715 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -17.810 -41.992 0.330 1.00 10.00 H new ATOM 0 HE ARG A 43 -15.448 -40.482 -0.050 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -17.628 -41.339 2.619 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -16.358 -41.218 3.841 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -13.833 -40.318 1.512 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -14.198 -40.636 3.211 1.00 10.00 H new ATOM 614 N GLN A 44 -18.738 -38.779 -5.145 1.00 10.00 N ATOM 615 CA GLN A 44 -19.911 -38.881 -6.005 1.00 10.00 C ATOM 616 C GLN A 44 -20.282 -40.351 -6.252 1.00 10.00 C ATOM 617 O GLN A 44 -20.364 -40.811 -7.391 1.00 10.00 O ATOM 618 CB GLN A 44 -19.668 -38.068 -7.288 1.00 10.00 C ATOM 619 CG GLN A 44 -18.507 -38.594 -8.146 1.00 10.00 C ATOM 620 CD GLN A 44 -17.924 -37.507 -9.042 1.00 10.00 C ATOM 621 OE1 GLN A 44 -18.654 -36.761 -9.685 1.00 10.00 O ATOM 622 NE2 GLN A 44 -16.600 -37.406 -9.097 1.00 10.00 N ATOM 0 H GLN A 44 -17.889 -38.553 -5.663 1.00 10.00 H new ATOM 0 HA GLN A 44 -20.783 -38.447 -5.515 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -20.579 -38.070 -7.886 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -19.467 -37.032 -7.017 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -17.725 -38.987 -7.497 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -18.857 -39.423 -8.761 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -16.017 -38.040 -8.551 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -16.167 -36.694 -9.685 1.00 10.00 H new ATOM 631 N GLY A 45 -20.509 -41.092 -5.166 1.00 10.00 N ATOM 632 CA GLY A 45 -20.887 -42.495 -5.191 1.00 10.00 C ATOM 633 C GLY A 45 -19.760 -43.405 -5.682 1.00 10.00 C ATOM 634 O GLY A 45 -19.197 -44.164 -4.899 1.00 10.00 O ATOM 0 H GLY A 45 -20.431 -40.716 -4.221 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -21.186 -42.804 -4.189 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -21.756 -42.621 -5.836 1.00 10.00 H new ATOM 638 N PHE A 46 -19.454 -43.344 -6.980 1.00 10.00 N ATOM 639 CA PHE A 46 -18.469 -44.202 -7.628 1.00 10.00 C ATOM 640 C PHE A 46 -17.119 -43.505 -7.788 1.00 10.00 C ATOM 641 O PHE A 46 -16.111 -43.947 -7.242 1.00 10.00 O ATOM 642 CB PHE A 46 -19.010 -44.673 -8.986 1.00 10.00 C ATOM 643 CG PHE A 46 -20.405 -45.264 -8.922 1.00 10.00 C ATOM 644 CD1 PHE A 46 -20.606 -46.528 -8.340 1.00 10.00 C ATOM 645 CD2 PHE A 46 -21.511 -44.520 -9.376 1.00 10.00 C ATOM 646 CE1 PHE A 46 -21.904 -47.055 -8.226 1.00 10.00 C ATOM 647 CE2 PHE A 46 -22.810 -45.046 -9.261 1.00 10.00 C ATOM 648 CZ PHE A 46 -23.007 -46.315 -8.688 1.00 10.00 C ATOM 0 H PHE A 46 -19.895 -42.683 -7.619 1.00 10.00 H new ATOM 0 HA PHE A 46 -18.300 -45.068 -6.989 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -19.015 -43.829 -9.676 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -18.329 -45.418 -9.398 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -19.761 -47.096 -7.980 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -21.361 -43.544 -9.813 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -22.054 -48.029 -7.783 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -23.657 -44.475 -9.613 1.00 10.00 H new ATOM 0 HZ PHE A 46 -24.004 -46.721 -8.603 1.00 10.00 H new ATOM 658 N PHE A 47 -17.086 -42.428 -8.575 1.00 10.00 N ATOM 659 CA PHE A 47 -15.864 -41.713 -8.924 1.00 10.00 C ATOM 660 C PHE A 47 -15.400 -40.823 -7.771 1.00 10.00 C ATOM 661 O PHE A 47 -15.323 -39.602 -7.913 1.00 10.00 O ATOM 662 CB PHE A 47 -16.104 -40.933 -10.228 1.00 10.00 C ATOM 663 CG PHE A 47 -16.896 -41.716 -11.262 1.00 10.00 C ATOM 664 CD1 PHE A 47 -16.379 -42.923 -11.767 1.00 10.00 C ATOM 665 CD2 PHE A 47 -18.224 -41.348 -11.559 1.00 10.00 C ATOM 666 CE1 PHE A 47 -17.188 -43.765 -12.551 1.00 10.00 C ATOM 667 CE2 PHE A 47 -19.030 -42.189 -12.344 1.00 10.00 C ATOM 668 CZ PHE A 47 -18.515 -43.401 -12.834 1.00 10.00 C ATOM 0 H PHE A 47 -17.924 -42.024 -8.993 1.00 10.00 H new ATOM 0 HA PHE A 47 -15.051 -42.418 -9.096 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -16.635 -40.009 -9.998 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -15.142 -40.650 -10.656 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -15.358 -43.204 -11.552 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -18.623 -40.418 -11.182 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -16.789 -44.692 -12.936 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -20.047 -41.904 -12.571 1.00 10.00 H new ATOM 0 HZ PHE A 47 -19.139 -44.052 -13.428 1.00 10.00 H new ATOM 678 N ALA A 48 -15.106 -41.434 -6.623 1.00 10.00 N ATOM 679 CA ALA A 48 -14.712 -40.753 -5.398 1.00 10.00 C ATOM 680 C ALA A 48 -13.288 -40.189 -5.455 1.00 10.00 C ATOM 681 O ALA A 48 -12.437 -40.546 -4.641 1.00 10.00 O ATOM 682 CB ALA A 48 -14.918 -41.704 -4.214 1.00 10.00 C ATOM 0 H ALA A 48 -15.138 -42.448 -6.521 1.00 10.00 H new ATOM 0 HA ALA A 48 -15.349 -39.878 -5.269 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -14.626 -41.204 -3.291 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -15.968 -41.990 -4.155 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -14.307 -42.596 -4.353 1.00 10.00 H new ATOM 688 N VAL A 49 -13.041 -39.284 -6.403 1.00 10.00 N ATOM 689 CA VAL A 49 -11.757 -38.614 -6.570 1.00 10.00 C ATOM 690 C VAL A 49 -11.632 -37.471 -5.572 1.00 10.00 C ATOM 691 O VAL A 49 -12.537 -37.249 -4.769 1.00 10.00 O ATOM 692 CB VAL A 49 -11.566 -38.152 -8.021 1.00 10.00 C ATOM 693 CG1 VAL A 49 -11.560 -39.394 -8.908 1.00 10.00 C ATOM 694 CG2 VAL A 49 -12.625 -37.139 -8.474 1.00 10.00 C ATOM 0 H VAL A 49 -13.741 -38.993 -7.086 1.00 10.00 H new ATOM 0 HA VAL A 49 -10.953 -39.320 -6.361 1.00 10.00 H new ATOM 0 HB VAL A 49 -10.618 -37.621 -8.102 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -11.426 -39.098 -9.948 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -10.743 -40.050 -8.609 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -12.507 -39.922 -8.801 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -12.435 -36.852 -9.508 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -13.615 -37.589 -8.399 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -12.579 -36.255 -7.838 1.00 10.00 H new ATOM 704 N GLN A 50 -10.507 -36.755 -5.605 1.00 10.00 N ATOM 705 CA GLN A 50 -10.247 -35.689 -4.659 1.00 10.00 C ATOM 706 C GLN A 50 -9.594 -34.485 -5.323 1.00 10.00 C ATOM 707 O GLN A 50 -9.008 -34.615 -6.397 1.00 10.00 O ATOM 708 CB GLN A 50 -9.413 -36.275 -3.513 1.00 10.00 C ATOM 709 CG GLN A 50 -7.923 -36.395 -3.862 1.00 10.00 C ATOM 710 CD GLN A 50 -7.083 -36.972 -2.725 1.00 10.00 C ATOM 711 OE1 GLN A 50 -5.857 -36.989 -2.799 1.00 10.00 O ATOM 712 NE2 GLN A 50 -7.720 -37.445 -1.657 1.00 10.00 N ATOM 0 H GLN A 50 -9.761 -36.902 -6.285 1.00 10.00 H new ATOM 0 HA GLN A 50 -11.183 -35.303 -4.255 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -9.525 -35.646 -2.630 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -9.801 -37.260 -3.254 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -7.813 -37.027 -4.743 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -7.538 -35.410 -4.126 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -8.739 -37.420 -1.618 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -7.189 -37.832 -0.877 1.00 10.00 H new ATOM 721 N GLN A 51 -9.687 -33.327 -4.665 1.00 10.00 N ATOM 722 CA GLN A 51 -9.113 -32.071 -5.122 1.00 10.00 C ATOM 723 C GLN A 51 -8.603 -31.294 -3.908 1.00 10.00 C ATOM 724 O GLN A 51 -8.955 -31.612 -2.771 1.00 10.00 O ATOM 725 CB GLN A 51 -10.157 -31.214 -5.862 1.00 10.00 C ATOM 726 CG GLN A 51 -11.059 -31.969 -6.854 1.00 10.00 C ATOM 727 CD GLN A 51 -12.221 -32.691 -6.169 1.00 10.00 C ATOM 728 OE1 GLN A 51 -12.361 -33.905 -6.268 1.00 10.00 O ATOM 729 NE2 GLN A 51 -13.072 -31.947 -5.469 1.00 10.00 N ATOM 0 H GLN A 51 -10.179 -33.241 -3.775 1.00 10.00 H new ATOM 0 HA GLN A 51 -8.300 -32.292 -5.813 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -10.791 -30.727 -5.121 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -9.635 -30.425 -6.403 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -11.456 -31.265 -7.586 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -10.459 -32.695 -7.403 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -12.933 -30.939 -5.403 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -13.864 -32.384 -4.998 1.00 10.00 H new ATOM 738 N THR A 52 -7.805 -30.254 -4.145 1.00 10.00 N ATOM 739 CA THR A 52 -7.325 -29.364 -3.101 1.00 10.00 C ATOM 740 C THR A 52 -8.527 -28.641 -2.485 1.00 10.00 C ATOM 741 O THR A 52 -9.444 -28.265 -3.210 1.00 10.00 O ATOM 742 CB THR A 52 -6.362 -28.363 -3.748 1.00 10.00 C ATOM 743 OG1 THR A 52 -5.457 -29.060 -4.581 1.00 10.00 O ATOM 744 CG2 THR A 52 -5.592 -27.562 -2.700 1.00 10.00 C ATOM 0 H THR A 52 -7.473 -30.007 -5.077 1.00 10.00 H new ATOM 0 HA THR A 52 -6.806 -29.911 -2.314 1.00 10.00 H new ATOM 0 HB THR A 52 -6.947 -27.657 -4.337 1.00 10.00 H new ATOM 0 HG1 THR A 52 -4.840 -28.423 -4.999 1.00 10.00 H new ATOM 0 HG21 THR A 52 -4.920 -26.863 -3.198 1.00 10.00 H new ATOM 0 HG22 THR A 52 -6.294 -27.008 -2.077 1.00 10.00 H new ATOM 0 HG23 THR A 52 -5.012 -28.242 -2.076 1.00 10.00 H new ATOM 752 N CYS A 53 -8.542 -28.435 -1.166 1.00 10.00 N ATOM 753 CA CYS A 53 -9.647 -27.757 -0.507 1.00 10.00 C ATOM 754 C CYS A 53 -9.561 -26.245 -0.774 1.00 10.00 C ATOM 755 O CYS A 53 -8.606 -25.613 -0.313 1.00 10.00 O ATOM 756 CB CYS A 53 -9.601 -28.045 0.993 1.00 10.00 C ATOM 757 SG CYS A 53 -11.056 -27.434 1.879 1.00 10.00 S ATOM 0 H CYS A 53 -7.796 -28.731 -0.537 1.00 10.00 H new ATOM 0 HA CYS A 53 -10.593 -28.125 -0.904 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -9.514 -29.120 1.148 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -8.707 -27.589 1.417 1.00 10.00 H new ATOM 762 N PRO A 54 -10.528 -25.639 -1.485 1.00 10.00 N ATOM 763 CA PRO A 54 -10.496 -24.215 -1.784 1.00 10.00 C ATOM 764 C PRO A 54 -10.722 -23.384 -0.522 1.00 10.00 C ATOM 765 O PRO A 54 -10.087 -22.344 -0.352 1.00 10.00 O ATOM 766 CB PRO A 54 -11.593 -23.988 -2.827 1.00 10.00 C ATOM 767 CG PRO A 54 -12.604 -25.095 -2.532 1.00 10.00 C ATOM 768 CD PRO A 54 -11.720 -26.252 -2.059 1.00 10.00 C ATOM 0 HA PRO A 54 -9.525 -23.902 -2.167 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -12.041 -22.999 -2.729 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -11.203 -24.062 -3.842 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -13.319 -24.795 -1.766 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -13.179 -25.363 -3.418 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -12.239 -26.863 -1.320 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -11.460 -26.909 -2.889 1.00 10.00 H new ATOM 776 N HIS A 55 -11.609 -23.853 0.365 1.00 10.00 N ATOM 777 CA HIS A 55 -11.982 -23.210 1.625 1.00 10.00 C ATOM 778 C HIS A 55 -10.764 -22.705 2.411 1.00 10.00 C ATOM 779 O HIS A 55 -10.847 -21.681 3.085 1.00 10.00 O ATOM 780 CB HIS A 55 -12.815 -24.209 2.446 1.00 10.00 C ATOM 781 CG HIS A 55 -13.531 -23.667 3.663 1.00 10.00 C ATOM 782 ND1 HIS A 55 -14.157 -24.440 4.618 1.00 10.00 N ATOM 783 CD2 HIS A 55 -13.796 -22.356 3.962 1.00 10.00 C ATOM 784 CE1 HIS A 55 -14.770 -23.610 5.477 1.00 10.00 C ATOM 785 NE2 HIS A 55 -14.577 -22.331 5.121 1.00 10.00 N ATOM 0 H HIS A 55 -12.107 -24.730 0.214 1.00 10.00 H new ATOM 0 HA HIS A 55 -12.575 -22.321 1.409 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -13.559 -24.654 1.785 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -12.156 -25.014 2.771 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -13.461 -21.495 3.402 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -15.340 -23.928 6.337 1.00 10.00 H new ATOM 0 HE2 HIS A 55 -14.930 -21.504 5.601 1.00 10.00 H new ATOM 793 N CYS A 56 -9.636 -23.417 2.317 1.00 10.00 N ATOM 794 CA CYS A 56 -8.389 -23.054 2.976 1.00 10.00 C ATOM 795 C CYS A 56 -7.219 -23.002 1.988 1.00 10.00 C ATOM 796 O CYS A 56 -6.072 -23.117 2.405 1.00 10.00 O ATOM 797 CB CYS A 56 -8.119 -24.044 4.112 1.00 10.00 C ATOM 798 SG CYS A 56 -8.209 -25.792 3.667 1.00 10.00 S ATOM 0 H CYS A 56 -9.569 -24.275 1.770 1.00 10.00 H new ATOM 0 HA CYS A 56 -8.487 -22.050 3.390 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -7.127 -23.842 4.517 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -8.835 -23.855 4.912 1.00 10.00 H new ATOM 803 N GLN A 57 -7.479 -22.837 0.686 1.00 10.00 N ATOM 804 CA GLN A 57 -6.450 -22.761 -0.355 1.00 10.00 C ATOM 805 C GLN A 57 -5.395 -23.872 -0.214 1.00 10.00 C ATOM 806 O GLN A 57 -4.200 -23.639 -0.403 1.00 10.00 O ATOM 807 CB GLN A 57 -5.800 -21.365 -0.339 1.00 10.00 C ATOM 808 CG GLN A 57 -6.801 -20.213 -0.513 1.00 10.00 C ATOM 809 CD GLN A 57 -7.401 -20.182 -1.916 1.00 10.00 C ATOM 810 OE1 GLN A 57 -6.805 -19.629 -2.833 1.00 10.00 O ATOM 811 NE2 GLN A 57 -8.580 -20.764 -2.108 1.00 10.00 N ATOM 0 H GLN A 57 -8.427 -22.751 0.321 1.00 10.00 H new ATOM 0 HA GLN A 57 -6.932 -22.918 -1.320 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -5.268 -21.233 0.603 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -5.057 -21.311 -1.134 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -7.601 -20.314 0.221 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -6.301 -19.265 -0.312 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -9.057 -21.218 -1.329 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -9.008 -20.757 -3.034 1.00 10.00 H new ATOM 820 N GLY A 58 -5.833 -25.091 0.119 1.00 10.00 N ATOM 821 CA GLY A 58 -4.949 -26.240 0.290 1.00 10.00 C ATOM 822 C GLY A 58 -4.067 -26.202 1.545 1.00 10.00 C ATOM 823 O GLY A 58 -3.259 -27.105 1.739 1.00 10.00 O ATOM 0 H GLY A 58 -6.818 -25.305 0.278 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -5.556 -27.145 0.319 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -4.305 -26.316 -0.586 1.00 10.00 H new ATOM 827 N ARG A 59 -4.209 -25.190 2.405 1.00 10.00 N ATOM 828 CA ARG A 59 -3.416 -25.035 3.623 1.00 10.00 C ATOM 829 C ARG A 59 -3.965 -25.868 4.788 1.00 10.00 C ATOM 830 O ARG A 59 -3.378 -25.873 5.869 1.00 10.00 O ATOM 831 CB ARG A 59 -3.439 -23.558 4.054 1.00 10.00 C ATOM 832 CG ARG A 59 -2.987 -22.549 2.991 1.00 10.00 C ATOM 833 CD ARG A 59 -1.465 -22.497 2.859 1.00 10.00 C ATOM 834 NE ARG A 59 -0.938 -23.618 2.080 1.00 10.00 N ATOM 835 CZ ARG A 59 0.367 -23.870 1.915 1.00 10.00 C ATOM 836 NH1 ARG A 59 1.290 -23.149 2.565 1.00 10.00 N ATOM 837 NH2 ARG A 59 0.741 -24.849 1.086 1.00 10.00 N ATOM 0 H ARG A 59 -4.891 -24.443 2.270 1.00 10.00 H new ATOM 0 HA ARG A 59 -2.407 -25.378 3.395 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -4.453 -23.304 4.362 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -2.802 -23.444 4.931 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -3.425 -22.815 2.029 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -3.362 -21.559 3.249 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -1.175 -21.559 2.385 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -1.016 -22.504 3.852 1.00 10.00 H new ATOM 0 HE ARG A 59 -1.606 -24.247 1.635 1.00 10.00 H new ATOM 0 HH11 ARG A 59 1.002 -22.399 3.193 1.00 10.00 H new ATOM 0 HH12 ARG A 59 2.281 -23.350 2.432 1.00 10.00 H new ATOM 0 HH21 ARG A 59 0.036 -25.393 0.589 1.00 10.00 H new ATOM 0 HH22 ARG A 59 1.731 -25.052 0.951 1.00 10.00 H new ATOM 851 N GLY A 60 -5.141 -26.486 4.629 1.00 10.00 N ATOM 852 CA GLY A 60 -5.818 -27.223 5.698 1.00 10.00 C ATOM 853 C GLY A 60 -6.326 -26.311 6.831 1.00 10.00 C ATOM 854 O GLY A 60 -7.005 -26.775 7.749 1.00 10.00 O ATOM 0 H GLY A 60 -5.652 -26.488 3.747 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -6.660 -27.772 5.276 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -5.132 -27.961 6.113 1.00 10.00 H new ATOM 858 N THR A 61 -5.989 -25.020 6.787 1.00 10.00 N ATOM 859 CA THR A 61 -6.257 -24.033 7.808 1.00 10.00 C ATOM 860 C THR A 61 -7.130 -22.885 7.288 1.00 10.00 C ATOM 861 O THR A 61 -6.804 -22.231 6.302 1.00 10.00 O ATOM 862 CB THR A 61 -4.899 -23.521 8.304 1.00 10.00 C ATOM 863 OG1 THR A 61 -3.910 -23.541 7.290 1.00 10.00 O ATOM 864 CG2 THR A 61 -4.400 -24.346 9.492 1.00 10.00 C ATOM 0 H THR A 61 -5.494 -24.624 5.988 1.00 10.00 H new ATOM 0 HA THR A 61 -6.823 -24.484 8.623 1.00 10.00 H new ATOM 0 HB THR A 61 -5.061 -22.487 8.610 1.00 10.00 H new ATOM 0 HG1 THR A 61 -3.757 -24.465 7.001 1.00 10.00 H new ATOM 0 HG21 THR A 61 -3.435 -23.961 9.823 1.00 10.00 H new ATOM 0 HG22 THR A 61 -5.118 -24.278 10.309 1.00 10.00 H new ATOM 0 HG23 THR A 61 -4.291 -25.388 9.191 1.00 10.00 H new ATOM 872 N LEU A 62 -8.224 -22.615 7.996 1.00 10.00 N ATOM 873 CA LEU A 62 -9.140 -21.519 7.752 1.00 10.00 C ATOM 874 C LEU A 62 -8.416 -20.231 8.108 1.00 10.00 C ATOM 875 O LEU A 62 -8.040 -20.020 9.271 1.00 10.00 O ATOM 876 CB LEU A 62 -10.396 -21.620 8.626 1.00 10.00 C ATOM 877 CG LEU A 62 -11.186 -22.916 8.450 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.398 -22.888 9.387 1.00 10.00 C ATOM 879 CD2 LEU A 62 -11.656 -23.103 7.004 1.00 10.00 C ATOM 0 H LEU A 62 -8.504 -23.187 8.793 1.00 10.00 H new ATOM 0 HA LEU A 62 -9.451 -21.546 6.708 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -10.104 -21.526 9.672 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -11.049 -20.777 8.400 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.533 -23.754 8.694 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -12.970 -23.809 9.270 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -12.058 -22.801 10.419 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -13.030 -22.035 9.140 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -12.214 -24.036 6.920 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -12.298 -22.269 6.719 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.791 -23.137 6.342 1.00 10.00 H new ATOM 891 N ILE A 63 -8.234 -19.395 7.087 1.00 10.00 N ATOM 892 CA ILE A 63 -7.566 -18.114 7.143 1.00 10.00 C ATOM 893 C ILE A 63 -8.454 -17.113 7.884 1.00 10.00 C ATOM 894 O ILE A 63 -9.086 -16.247 7.285 1.00 10.00 O ATOM 895 CB ILE A 63 -7.205 -17.681 5.711 1.00 10.00 C ATOM 896 CG1 ILE A 63 -6.432 -18.777 4.948 1.00 10.00 C ATOM 897 CG2 ILE A 63 -6.397 -16.380 5.739 1.00 10.00 C ATOM 898 CD1 ILE A 63 -5.213 -19.313 5.704 1.00 10.00 C ATOM 0 H ILE A 63 -8.571 -19.614 6.150 1.00 10.00 H new ATOM 0 HA ILE A 63 -6.633 -18.171 7.703 1.00 10.00 H new ATOM 0 HB ILE A 63 -8.140 -17.513 5.176 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -7.109 -19.605 4.735 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -6.106 -18.377 3.988 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -6.148 -16.084 4.720 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -6.988 -15.595 6.210 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -5.479 -16.534 6.307 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -4.721 -20.079 5.105 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -4.515 -18.498 5.894 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -5.534 -19.744 6.652 1.00 10.00 H new ATOM 910 N LYS A 64 -8.502 -17.271 9.208 1.00 10.00 N ATOM 911 CA LYS A 64 -9.270 -16.462 10.142 1.00 10.00 C ATOM 912 C LYS A 64 -9.192 -14.961 9.821 1.00 10.00 C ATOM 913 O LYS A 64 -10.207 -14.270 9.830 1.00 10.00 O ATOM 914 CB LYS A 64 -8.731 -16.765 11.548 1.00 10.00 C ATOM 915 CG LYS A 64 -9.485 -16.029 12.660 1.00 10.00 C ATOM 916 CD LYS A 64 -8.813 -16.340 14.003 1.00 10.00 C ATOM 917 CE LYS A 64 -9.462 -15.578 15.165 1.00 10.00 C ATOM 918 NZ LYS A 64 -9.402 -14.118 14.970 1.00 10.00 N ATOM 0 H LYS A 64 -7.976 -18.008 9.678 1.00 10.00 H new ATOM 0 HA LYS A 64 -10.327 -16.716 10.069 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -8.790 -17.838 11.728 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -7.677 -16.492 11.592 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -9.477 -14.955 12.474 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -10.529 -16.342 12.679 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -8.870 -17.411 14.196 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -7.756 -16.082 13.947 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -10.502 -15.888 15.266 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -8.960 -15.840 16.096 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -9.155 -13.658 15.869 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -8.680 -13.893 14.256 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -10.328 -13.773 14.647 1.00 10.00 H new ATOM 932 N ASP A 65 -7.979 -14.454 9.588 1.00 10.00 N ATOM 933 CA ASP A 65 -7.698 -13.043 9.336 1.00 10.00 C ATOM 934 C ASP A 65 -6.544 -12.928 8.326 1.00 10.00 C ATOM 935 O ASP A 65 -5.383 -12.998 8.726 1.00 10.00 O ATOM 936 CB ASP A 65 -7.416 -12.314 10.664 1.00 10.00 C ATOM 937 CG ASP A 65 -6.792 -13.192 11.749 1.00 10.00 C ATOM 938 OD1 ASP A 65 -5.817 -13.907 11.434 1.00 10.00 O ATOM 939 OD2 ASP A 65 -7.321 -13.148 12.881 1.00 10.00 O ATOM 0 H ASP A 65 -7.140 -15.034 9.569 1.00 10.00 H new ATOM 0 HA ASP A 65 -8.566 -12.553 8.894 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -6.751 -11.473 10.468 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -8.351 -11.900 11.042 1.00 10.00 H new ATOM 944 N PRO A 66 -6.846 -12.782 7.023 1.00 10.00 N ATOM 945 CA PRO A 66 -5.882 -12.723 5.930 1.00 10.00 C ATOM 946 C PRO A 66 -4.616 -11.884 6.145 1.00 10.00 C ATOM 947 O PRO A 66 -4.670 -10.676 6.374 1.00 10.00 O ATOM 948 CB PRO A 66 -6.670 -12.229 4.715 1.00 10.00 C ATOM 949 CG PRO A 66 -8.056 -12.818 4.961 1.00 10.00 C ATOM 950 CD PRO A 66 -8.198 -12.716 6.480 1.00 10.00 C ATOM 0 HA PRO A 66 -5.460 -13.721 5.815 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -6.695 -11.141 4.662 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -6.238 -12.584 3.779 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -8.833 -12.256 4.443 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -8.125 -13.850 4.616 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.686 -11.783 6.763 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.813 -13.528 6.868 1.00 10.00 H new ATOM 958 N CYS A 67 -3.465 -12.538 5.992 1.00 10.00 N ATOM 959 CA CYS A 67 -2.139 -11.956 6.030 1.00 10.00 C ATOM 960 C CYS A 67 -1.946 -11.189 4.722 1.00 10.00 C ATOM 961 O CYS A 67 -1.513 -11.761 3.716 1.00 10.00 O ATOM 962 CB CYS A 67 -1.104 -13.079 6.174 1.00 10.00 C ATOM 963 SG CYS A 67 0.636 -12.569 6.107 1.00 10.00 S ATOM 0 H CYS A 67 -3.440 -13.545 5.829 1.00 10.00 H new ATOM 0 HA CYS A 67 -2.016 -11.278 6.875 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -1.277 -13.586 7.123 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -1.278 -13.810 5.385 1.00 10.00 H new ATOM 968 N ASN A 68 -2.295 -9.900 4.749 1.00 10.00 N ATOM 969 CA ASN A 68 -2.206 -8.959 3.636 1.00 10.00 C ATOM 970 C ASN A 68 -0.966 -9.185 2.765 1.00 10.00 C ATOM 971 O ASN A 68 -1.092 -9.262 1.545 1.00 10.00 O ATOM 972 CB ASN A 68 -2.290 -7.509 4.141 1.00 10.00 C ATOM 973 CG ASN A 68 -1.094 -7.069 4.990 1.00 10.00 C ATOM 974 OD1 ASN A 68 -0.431 -7.884 5.626 1.00 10.00 O ATOM 975 ND2 ASN A 68 -0.801 -5.773 5.008 1.00 10.00 N ATOM 0 H ASN A 68 -2.666 -9.465 5.593 1.00 10.00 H new ATOM 0 HA ASN A 68 -3.064 -9.146 2.990 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -2.377 -6.842 3.283 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -3.201 -7.393 4.729 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -0.011 -5.436 5.558 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -1.366 -5.115 4.472 1.00 10.00 H new ATOM 982 N LYS A 69 0.211 -9.318 3.386 1.00 10.00 N ATOM 983 CA LYS A 69 1.496 -9.554 2.734 1.00 10.00 C ATOM 984 C LYS A 69 1.408 -10.602 1.618 1.00 10.00 C ATOM 985 O LYS A 69 1.991 -10.411 0.554 1.00 10.00 O ATOM 986 CB LYS A 69 2.532 -9.961 3.791 1.00 10.00 C ATOM 987 CG LYS A 69 3.942 -10.069 3.194 1.00 10.00 C ATOM 988 CD LYS A 69 4.954 -10.403 4.296 1.00 10.00 C ATOM 989 CE LYS A 69 6.350 -10.678 3.725 1.00 10.00 C ATOM 990 NZ LYS A 69 6.908 -9.501 3.036 1.00 10.00 N ATOM 0 H LYS A 69 0.293 -9.261 4.401 1.00 10.00 H new ATOM 0 HA LYS A 69 1.806 -8.626 2.254 1.00 10.00 H new ATOM 0 HB2 LYS A 69 2.534 -9.229 4.599 1.00 10.00 H new ATOM 0 HB3 LYS A 69 2.248 -10.918 4.229 1.00 10.00 H new ATOM 0 HG2 LYS A 69 3.962 -10.841 2.425 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.214 -9.130 2.711 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.007 -9.575 5.003 1.00 10.00 H new ATOM 0 HD3 LYS A 69 4.611 -11.275 4.852 1.00 10.00 H new ATOM 0 HE2 LYS A 69 7.019 -10.976 4.532 1.00 10.00 H new ATOM 0 HE3 LYS A 69 6.298 -11.515 3.028 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 7.878 -9.709 2.725 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 6.321 -9.272 2.209 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 6.919 -8.690 3.687 1.00 10.00 H new ATOM 1004 N CYS A 70 0.684 -11.700 1.857 1.00 10.00 N ATOM 1005 CA CYS A 70 0.495 -12.775 0.886 1.00 10.00 C ATOM 1006 C CYS A 70 -0.979 -12.914 0.511 1.00 10.00 C ATOM 1007 O CYS A 70 -1.383 -13.961 0.008 1.00 10.00 O ATOM 1008 CB CYS A 70 1.003 -14.090 1.485 1.00 10.00 C ATOM 1009 SG CYS A 70 0.149 -14.590 2.996 1.00 10.00 S ATOM 0 H CYS A 70 0.208 -11.866 2.743 1.00 10.00 H new ATOM 0 HA CYS A 70 1.057 -12.537 -0.017 1.00 10.00 H new ATOM 0 HB2 CYS A 70 0.897 -14.880 0.742 1.00 10.00 H new ATOM 0 HB3 CYS A 70 2.068 -13.993 1.697 1.00 10.00 H new ATOM 1014 N HIS A 71 -1.796 -11.898 0.799 1.00 10.00 N ATOM 1015 CA HIS A 71 -3.236 -11.907 0.576 1.00 10.00 C ATOM 1016 C HIS A 71 -3.863 -13.167 1.195 1.00 10.00 C ATOM 1017 O HIS A 71 -4.809 -13.733 0.653 1.00 10.00 O ATOM 1018 CB HIS A 71 -3.540 -11.788 -0.925 1.00 10.00 C ATOM 1019 CG HIS A 71 -2.940 -10.586 -1.618 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -2.174 -9.589 -1.051 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -3.054 -10.300 -2.953 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -1.835 -8.730 -2.026 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -2.349 -9.119 -3.203 1.00 10.00 N ATOM 0 H HIS A 71 -1.461 -11.024 1.205 1.00 10.00 H new ATOM 0 HA HIS A 71 -3.684 -11.045 1.070 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -3.181 -12.689 -1.423 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -4.622 -11.759 -1.058 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -1.912 -9.517 -0.068 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -3.594 -10.884 -3.684 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -1.231 -7.846 -1.882 1.00 10.00 H new ATOM 1031 N GLY A 72 -3.324 -13.620 2.333 1.00 10.00 N ATOM 1032 CA GLY A 72 -3.792 -14.816 3.012 1.00 10.00 C ATOM 1033 C GLY A 72 -3.596 -16.119 2.224 1.00 10.00 C ATOM 1034 O GLY A 72 -4.171 -17.136 2.598 1.00 10.00 O ATOM 0 H GLY A 72 -2.546 -13.158 2.805 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -3.272 -14.903 3.966 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -4.852 -14.699 3.236 1.00 10.00 H new ATOM 1038 N HIS A 73 -2.786 -16.122 1.160 1.00 10.00 N ATOM 1039 CA HIS A 73 -2.535 -17.316 0.357 1.00 10.00 C ATOM 1040 C HIS A 73 -1.597 -18.294 1.076 1.00 10.00 C ATOM 1041 O HIS A 73 -1.635 -19.494 0.824 1.00 10.00 O ATOM 1042 CB HIS A 73 -1.968 -16.902 -1.006 1.00 10.00 C ATOM 1043 CG HIS A 73 -1.817 -18.046 -1.978 1.00 10.00 C ATOM 1044 ND1 HIS A 73 -0.648 -18.436 -2.588 1.00 10.00 N ATOM 1045 CD2 HIS A 73 -2.814 -18.875 -2.424 1.00 10.00 C ATOM 1046 CE1 HIS A 73 -0.936 -19.485 -3.379 1.00 10.00 C ATOM 1047 NE2 HIS A 73 -2.243 -19.785 -3.318 1.00 10.00 N ATOM 0 H HIS A 73 -2.287 -15.294 0.834 1.00 10.00 H new ATOM 0 HA HIS A 73 -3.479 -17.840 0.206 1.00 10.00 H new ATOM 0 HB2 HIS A 73 -2.620 -16.148 -1.446 1.00 10.00 H new ATOM 0 HB3 HIS A 73 -0.995 -16.434 -0.857 1.00 10.00 H new ATOM 0 HD1 HIS A 73 0.270 -18.008 -2.463 1.00 10.00 H new ATOM 0 HD2 HIS A 73 -3.854 -18.832 -2.136 1.00 10.00 H new ATOM 0 HE1 HIS A 73 -0.213 -20.015 -3.982 1.00 10.00 H new ATOM 1055 N GLY A 74 -0.733 -17.780 1.954 1.00 10.00 N ATOM 1056 CA GLY A 74 0.209 -18.565 2.746 1.00 10.00 C ATOM 1057 C GLY A 74 1.595 -18.678 2.117 1.00 10.00 C ATOM 1058 O GLY A 74 2.598 -18.698 2.829 1.00 10.00 O ATOM 0 H GLY A 74 -0.670 -16.779 2.137 1.00 10.00 H new ATOM 0 HA2 GLY A 74 0.304 -18.114 3.734 1.00 10.00 H new ATOM 0 HA3 GLY A 74 -0.197 -19.566 2.890 1.00 10.00 H new ATOM 1062 N ARG A 75 1.667 -18.733 0.788 1.00 10.00 N ATOM 1063 CA ARG A 75 2.911 -18.838 0.042 1.00 10.00 C ATOM 1064 C ARG A 75 2.892 -17.815 -1.087 1.00 10.00 C ATOM 1065 O ARG A 75 1.827 -17.541 -1.641 1.00 10.00 O ATOM 1066 CB ARG A 75 3.162 -20.280 -0.434 1.00 10.00 C ATOM 1067 CG ARG A 75 2.141 -20.904 -1.404 1.00 10.00 C ATOM 1068 CD ARG A 75 0.760 -21.169 -0.785 1.00 10.00 C ATOM 1069 NE ARG A 75 0.026 -22.218 -1.509 1.00 10.00 N ATOM 1070 CZ ARG A 75 -1.235 -22.591 -1.236 1.00 10.00 C ATOM 1071 NH1 ARG A 75 -2.003 -21.915 -0.381 1.00 10.00 N ATOM 1072 NH2 ARG A 75 -1.763 -23.673 -1.813 1.00 10.00 N ATOM 0 H ARG A 75 0.841 -18.705 0.190 1.00 10.00 H new ATOM 0 HA ARG A 75 3.758 -18.606 0.688 1.00 10.00 H new ATOM 0 HB2 ARG A 75 4.140 -20.309 -0.913 1.00 10.00 H new ATOM 0 HB3 ARG A 75 3.220 -20.918 0.448 1.00 10.00 H new ATOM 0 HG2 ARG A 75 2.021 -20.242 -2.262 1.00 10.00 H new ATOM 0 HG3 ARG A 75 2.543 -21.844 -1.781 1.00 10.00 H new ATOM 0 HD2 ARG A 75 0.880 -21.464 0.258 1.00 10.00 H new ATOM 0 HD3 ARG A 75 0.177 -20.248 -0.791 1.00 10.00 H new ATOM 0 HE ARG A 75 0.508 -22.695 -2.271 1.00 10.00 H new ATOM 0 HH11 ARG A 75 -1.637 -21.087 0.089 1.00 10.00 H new ATOM 0 HH12 ARG A 75 -2.957 -22.226 -0.197 1.00 10.00 H new ATOM 0 HH21 ARG A 75 -1.208 -24.224 -2.467 1.00 10.00 H new ATOM 0 HH22 ARG A 75 -2.722 -23.948 -1.599 1.00 10.00 H new ATOM 1086 N VAL A 76 4.053 -17.232 -1.399 1.00 10.00 N ATOM 1087 CA VAL A 76 4.201 -16.191 -2.410 1.00 10.00 C ATOM 1088 C VAL A 76 5.297 -16.591 -3.393 1.00 10.00 C ATOM 1089 O VAL A 76 6.274 -17.219 -2.997 1.00 10.00 O ATOM 1090 CB VAL A 76 4.505 -14.840 -1.735 1.00 10.00 C ATOM 1091 CG1 VAL A 76 3.311 -14.394 -0.886 1.00 10.00 C ATOM 1092 CG2 VAL A 76 5.755 -14.864 -0.840 1.00 10.00 C ATOM 0 H VAL A 76 4.932 -17.478 -0.944 1.00 10.00 H new ATOM 0 HA VAL A 76 3.271 -16.078 -2.966 1.00 10.00 H new ATOM 0 HB VAL A 76 4.696 -14.140 -2.548 1.00 10.00 H new ATOM 0 HG11 VAL A 76 3.537 -13.438 -0.414 1.00 10.00 H new ATOM 0 HG12 VAL A 76 2.433 -14.286 -1.522 1.00 10.00 H new ATOM 0 HG13 VAL A 76 3.112 -15.141 -0.117 1.00 10.00 H new ATOM 0 HG21 VAL A 76 5.906 -13.879 -0.399 1.00 10.00 H new ATOM 0 HG22 VAL A 76 5.621 -15.600 -0.047 1.00 10.00 H new ATOM 0 HG23 VAL A 76 6.626 -15.131 -1.439 1.00 10.00 H new ATOM 1102 N GLU A 77 5.151 -16.239 -4.672 1.00 10.00 N ATOM 1103 CA GLU A 77 6.159 -16.551 -5.672 1.00 10.00 C ATOM 1104 C GLU A 77 7.286 -15.524 -5.579 1.00 10.00 C ATOM 1105 O GLU A 77 7.012 -14.331 -5.425 1.00 10.00 O ATOM 1106 CB GLU A 77 5.526 -16.589 -7.069 1.00 10.00 C ATOM 1107 CG GLU A 77 6.525 -17.103 -8.116 1.00 10.00 C ATOM 1108 CD GLU A 77 5.844 -17.339 -9.460 1.00 10.00 C ATOM 1109 OE1 GLU A 77 5.659 -16.339 -10.186 1.00 10.00 O ATOM 1110 OE2 GLU A 77 5.516 -18.515 -9.729 1.00 10.00 O ATOM 0 H GLU A 77 4.341 -15.737 -5.034 1.00 10.00 H new ATOM 0 HA GLU A 77 6.581 -17.539 -5.487 1.00 10.00 H new ATOM 0 HB2 GLU A 77 4.646 -17.232 -7.055 1.00 10.00 H new ATOM 0 HB3 GLU A 77 5.187 -15.591 -7.345 1.00 10.00 H new ATOM 0 HG2 GLU A 77 7.333 -16.381 -8.237 1.00 10.00 H new ATOM 0 HG3 GLU A 77 6.977 -18.031 -7.766 1.00 10.00 H new ATOM 1117 N ARG A 78 8.536 -15.988 -5.693 1.00 10.00 N ATOM 1118 CA ARG A 78 9.740 -15.166 -5.663 1.00 10.00 C ATOM 1119 C ARG A 78 9.784 -14.286 -6.918 1.00 10.00 C ATOM 1120 O ARG A 78 10.554 -14.510 -7.849 1.00 10.00 O ATOM 1121 CB ARG A 78 10.967 -16.080 -5.538 1.00 10.00 C ATOM 1122 CG ARG A 78 12.239 -15.274 -5.236 1.00 10.00 C ATOM 1123 CD ARG A 78 13.428 -16.204 -4.974 1.00 10.00 C ATOM 1124 NE ARG A 78 14.676 -15.444 -4.818 1.00 10.00 N ATOM 1125 CZ ARG A 78 15.074 -14.804 -3.708 1.00 10.00 C ATOM 1126 NH1 ARG A 78 14.323 -14.809 -2.601 1.00 10.00 N ATOM 1127 NH2 ARG A 78 16.241 -14.151 -3.714 1.00 10.00 N ATOM 0 H ARG A 78 8.738 -16.981 -5.813 1.00 10.00 H new ATOM 0 HA ARG A 78 9.737 -14.500 -4.800 1.00 10.00 H new ATOM 0 HB2 ARG A 78 10.800 -16.809 -4.745 1.00 10.00 H new ATOM 0 HB3 ARG A 78 11.101 -16.640 -6.463 1.00 10.00 H new ATOM 0 HG2 ARG A 78 12.465 -14.616 -6.075 1.00 10.00 H new ATOM 0 HG3 ARG A 78 12.073 -14.637 -4.367 1.00 10.00 H new ATOM 0 HD2 ARG A 78 13.242 -16.791 -4.074 1.00 10.00 H new ATOM 0 HD3 ARG A 78 13.530 -16.909 -5.799 1.00 10.00 H new ATOM 0 HE ARG A 78 15.296 -15.399 -5.627 1.00 10.00 H new ATOM 0 HH11 ARG A 78 13.432 -15.305 -2.592 1.00 10.00 H new ATOM 0 HH12 ARG A 78 14.642 -14.317 -1.766 1.00 10.00 H new ATOM 0 HH21 ARG A 78 16.817 -14.144 -4.556 1.00 10.00 H new ATOM 0 HH22 ARG A 78 16.555 -13.660 -2.877 1.00 10.00 H new ATOM 1141 N SER A 79 8.909 -13.287 -6.945 1.00 10.00 N ATOM 1142 CA SER A 79 8.707 -12.377 -8.052 1.00 10.00 C ATOM 1143 C SER A 79 9.937 -11.494 -8.254 1.00 10.00 C ATOM 1144 O SER A 79 9.903 -10.301 -7.956 1.00 10.00 O ATOM 1145 CB SER A 79 7.430 -11.575 -7.770 1.00 10.00 C ATOM 1146 OG SER A 79 6.350 -12.462 -7.514 1.00 10.00 O ATOM 0 H SER A 79 8.295 -13.085 -6.156 1.00 10.00 H new ATOM 0 HA SER A 79 8.578 -12.919 -8.989 1.00 10.00 H new ATOM 0 HB2 SER A 79 7.584 -10.918 -6.914 1.00 10.00 H new ATOM 0 HB3 SER A 79 7.195 -10.937 -8.622 1.00 10.00 H new ATOM 0 HG SER A 79 6.536 -12.979 -6.702 1.00 10.00 H new TER 1152 SER A 79 HETATM 1153 ZN ZN A 80 1.359 -14.414 4.929 1.00 10.00 ZN HETATM 1154 ZN ZN A 81 -9.966 -27.247 3.891 1.00 10.00 ZN