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 41 GLN : amide:sc= 0.94 K(o=2,f=-1.1) USER MOD Set 1.2: A 50 GLN : amide:sc= 1.1 K(o=2,f=-0.44) USER MOD Set 2.1: A 33 THR OG1 : rot 99:sc= 0.248 USER MOD Set 2.2: A 55 HIS : no HE2:sc= 0.412 K(o=0.66,f=-2.8!) USER MOD Single : A 1 GLY N :NH3+ 179:sc= 0 (180deg=-0.000373) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.048 USER MOD Single : A 4 LYS NZ :NH3+ -178:sc= 0.679 (180deg=0.677) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0844 USER MOD Single : A 18 HIS : no HE2:sc= 1.24 K(o=1.2,f=-8!) USER MOD Single : A 20 SER OG : rot -65:sc= 1.38 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.317 K(o=0.32,f=-0.42) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 35 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4!) USER MOD Single : A 37 SER OG : rot 85:sc= 0.971 USER MOD Single : A 39 GLN : amide:sc= 0.437 K(o=0.44,f=-0.87) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0607 K(o=-0.061,f=-6.1!) USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 57 GLN : amide:sc= 1.21 K(o=1.2,f=-8.4!) USER MOD Single : A 61 THR OG1 : rot 39:sc= 0.149 USER MOD Single : A 64 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0399) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HE2:sc= 1.01 K(o=1,f=-3.5!) USER MOD Single : A 73 HIS : no HE2:sc= 0.683 K(o=0.68,f=-3.1!) USER MOD Single : A 79 SER OG : rot -55:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.667 -8.978 -4.555 1.00 10.00 N ATOM 2 CA GLY A 1 20.307 -8.592 -4.887 1.00 10.00 C ATOM 3 C GLY A 1 19.686 -9.594 -5.856 1.00 10.00 C ATOM 4 O GLY A 1 19.156 -9.219 -6.901 1.00 10.00 O ATOM 0 H1 GLY A 1 22.079 -8.276 -3.908 1.00 10.00 H new ATOM 0 H2 GLY A 1 21.661 -9.911 -4.095 1.00 10.00 H new ATOM 0 H3 GLY A 1 22.237 -9.025 -5.424 1.00 10.00 H new ATOM 0 HA2 GLY A 1 19.707 -8.536 -3.979 1.00 10.00 H new ATOM 0 HA3 GLY A 1 20.304 -7.597 -5.332 1.00 10.00 H new ATOM 8 N VAL A 2 19.758 -10.880 -5.495 1.00 10.00 N ATOM 9 CA VAL A 2 19.220 -11.996 -6.270 1.00 10.00 C ATOM 10 C VAL A 2 17.762 -11.742 -6.676 1.00 10.00 C ATOM 11 O VAL A 2 17.328 -12.125 -7.761 1.00 10.00 O ATOM 12 CB VAL A 2 19.395 -13.298 -5.467 1.00 10.00 C ATOM 13 CG1 VAL A 2 18.538 -13.343 -4.194 1.00 10.00 C ATOM 14 CG2 VAL A 2 19.122 -14.529 -6.338 1.00 10.00 C ATOM 0 H VAL A 2 20.206 -11.178 -4.629 1.00 10.00 H new ATOM 0 HA VAL A 2 19.775 -12.095 -7.203 1.00 10.00 H new ATOM 0 HB VAL A 2 20.437 -13.314 -5.147 1.00 10.00 H new ATOM 0 HG11 VAL A 2 18.708 -14.286 -3.674 1.00 10.00 H new ATOM 0 HG12 VAL A 2 18.812 -12.514 -3.541 1.00 10.00 H new ATOM 0 HG13 VAL A 2 17.485 -13.261 -4.461 1.00 10.00 H new ATOM 0 HG21 VAL A 2 19.254 -15.432 -5.743 1.00 10.00 H new ATOM 0 HG22 VAL A 2 18.100 -14.489 -6.715 1.00 10.00 H new ATOM 0 HG23 VAL A 2 19.818 -14.543 -7.177 1.00 10.00 H new ATOM 24 N THR A 3 17.022 -11.046 -5.815 1.00 10.00 N ATOM 25 CA THR A 3 15.647 -10.623 -5.995 1.00 10.00 C ATOM 26 C THR A 3 15.431 -9.923 -7.342 1.00 10.00 C ATOM 27 O THR A 3 14.361 -10.044 -7.932 1.00 10.00 O ATOM 28 CB THR A 3 15.326 -9.698 -4.813 1.00 10.00 C ATOM 29 OG1 THR A 3 16.457 -8.885 -4.540 1.00 10.00 O ATOM 30 CG2 THR A 3 15.043 -10.534 -3.561 1.00 10.00 C ATOM 0 H THR A 3 17.398 -10.746 -4.916 1.00 10.00 H new ATOM 0 HA THR A 3 14.977 -11.482 -6.013 1.00 10.00 H new ATOM 0 HB THR A 3 14.458 -9.089 -5.066 1.00 10.00 H new ATOM 0 HG1 THR A 3 16.258 -8.290 -3.787 1.00 10.00 H new ATOM 0 HG21 THR A 3 14.816 -9.872 -2.725 1.00 10.00 H new ATOM 0 HG22 THR A 3 14.192 -11.190 -3.746 1.00 10.00 H new ATOM 0 HG23 THR A 3 15.919 -11.136 -3.320 1.00 10.00 H new ATOM 38 N LYS A 4 16.437 -9.202 -7.849 1.00 10.00 N ATOM 39 CA LYS A 4 16.332 -8.528 -9.135 1.00 10.00 C ATOM 40 C LYS A 4 16.218 -9.535 -10.285 1.00 10.00 C ATOM 41 O LYS A 4 15.613 -9.230 -11.312 1.00 10.00 O ATOM 42 CB LYS A 4 17.549 -7.626 -9.363 1.00 10.00 C ATOM 43 CG LYS A 4 17.688 -6.539 -8.289 1.00 10.00 C ATOM 44 CD LYS A 4 18.738 -5.488 -8.682 1.00 10.00 C ATOM 45 CE LYS A 4 20.097 -6.086 -9.072 1.00 10.00 C ATOM 46 NZ LYS A 4 20.645 -6.955 -8.016 1.00 10.00 N ATOM 0 H LYS A 4 17.334 -9.074 -7.381 1.00 10.00 H new ATOM 0 HA LYS A 4 15.427 -7.921 -9.117 1.00 10.00 H new ATOM 0 HB2 LYS A 4 18.452 -8.237 -9.375 1.00 10.00 H new ATOM 0 HB3 LYS A 4 17.469 -7.155 -10.343 1.00 10.00 H new ATOM 0 HG2 LYS A 4 16.725 -6.052 -8.136 1.00 10.00 H new ATOM 0 HG3 LYS A 4 17.968 -6.997 -7.340 1.00 10.00 H new ATOM 0 HD2 LYS A 4 18.356 -4.901 -9.518 1.00 10.00 H new ATOM 0 HD3 LYS A 4 18.880 -4.800 -7.848 1.00 10.00 H new ATOM 0 HE2 LYS A 4 19.989 -6.659 -9.993 1.00 10.00 H new ATOM 0 HE3 LYS A 4 20.801 -5.280 -9.279 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 21.578 -7.310 -8.308 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 20.741 -6.412 -7.134 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 20.003 -7.758 -7.859 1.00 10.00 H new ATOM 60 N GLU A 5 16.790 -10.734 -10.134 1.00 10.00 N ATOM 61 CA GLU A 5 16.795 -11.757 -11.169 1.00 10.00 C ATOM 62 C GLU A 5 15.447 -12.482 -11.246 1.00 10.00 C ATOM 63 O GLU A 5 15.377 -13.710 -11.176 1.00 10.00 O ATOM 64 CB GLU A 5 17.976 -12.717 -10.951 1.00 10.00 C ATOM 65 CG GLU A 5 19.305 -11.986 -10.689 1.00 10.00 C ATOM 66 CD GLU A 5 19.602 -10.903 -11.722 1.00 10.00 C ATOM 67 OE1 GLU A 5 19.674 -11.263 -12.917 1.00 10.00 O ATOM 68 OE2 GLU A 5 19.745 -9.735 -11.300 1.00 10.00 O ATOM 0 H GLU A 5 17.266 -11.018 -9.278 1.00 10.00 H new ATOM 0 HA GLU A 5 16.934 -11.280 -12.139 1.00 10.00 H new ATOM 0 HB2 GLU A 5 17.755 -13.371 -10.107 1.00 10.00 H new ATOM 0 HB3 GLU A 5 18.085 -13.355 -11.828 1.00 10.00 H new ATOM 0 HG2 GLU A 5 19.277 -11.536 -9.697 1.00 10.00 H new ATOM 0 HG3 GLU A 5 20.118 -12.712 -10.687 1.00 10.00 H new ATOM 75 N ILE A 6 14.370 -11.718 -11.441 1.00 10.00 N ATOM 76 CA ILE A 6 13.012 -12.240 -11.567 1.00 10.00 C ATOM 77 C ILE A 6 12.861 -13.180 -12.763 1.00 10.00 C ATOM 78 O ILE A 6 11.932 -13.978 -12.819 1.00 10.00 O ATOM 79 CB ILE A 6 11.987 -11.095 -11.581 1.00 10.00 C ATOM 80 CG1 ILE A 6 12.134 -10.196 -12.823 1.00 10.00 C ATOM 81 CG2 ILE A 6 12.136 -10.290 -10.286 1.00 10.00 C ATOM 82 CD1 ILE A 6 11.067 -9.099 -12.871 1.00 10.00 C ATOM 0 H ILE A 6 14.420 -10.702 -11.517 1.00 10.00 H new ATOM 0 HA ILE A 6 12.807 -12.849 -10.686 1.00 10.00 H new ATOM 0 HB ILE A 6 10.985 -11.520 -11.637 1.00 10.00 H new ATOM 0 HG12 ILE A 6 13.123 -9.739 -12.824 1.00 10.00 H new ATOM 0 HG13 ILE A 6 12.065 -10.808 -13.723 1.00 10.00 H new ATOM 0 HG21 ILE A 6 11.415 -9.473 -10.281 1.00 10.00 H new ATOM 0 HG22 ILE A 6 11.954 -10.940 -9.430 1.00 10.00 H new ATOM 0 HG23 ILE A 6 13.145 -9.883 -10.224 1.00 10.00 H new ATOM 0 HD11 ILE A 6 11.211 -8.490 -13.764 1.00 10.00 H new ATOM 0 HD12 ILE A 6 10.077 -9.555 -12.898 1.00 10.00 H new ATOM 0 HD13 ILE A 6 11.152 -8.469 -11.985 1.00 10.00 H new ATOM 94 N ARG A 7 13.815 -13.105 -13.693 1.00 10.00 N ATOM 95 CA ARG A 7 13.915 -13.971 -14.858 1.00 10.00 C ATOM 96 C ARG A 7 13.961 -15.441 -14.439 1.00 10.00 C ATOM 97 O ARG A 7 13.496 -16.320 -15.158 1.00 10.00 O ATOM 98 CB ARG A 7 15.181 -13.619 -15.647 1.00 10.00 C ATOM 99 CG ARG A 7 15.219 -12.154 -16.108 1.00 10.00 C ATOM 100 CD ARG A 7 16.538 -11.821 -16.817 1.00 10.00 C ATOM 101 NE ARG A 7 17.696 -12.005 -15.924 1.00 10.00 N ATOM 102 CZ ARG A 7 18.511 -13.072 -15.884 1.00 10.00 C ATOM 103 NH1 ARG A 7 18.325 -14.117 -16.697 1.00 10.00 N ATOM 104 NH2 ARG A 7 19.517 -13.092 -15.005 1.00 10.00 N ATOM 0 H ARG A 7 14.563 -12.413 -13.649 1.00 10.00 H new ATOM 0 HA ARG A 7 13.035 -13.819 -15.483 1.00 10.00 H new ATOM 0 HB2 ARG A 7 16.055 -13.821 -15.028 1.00 10.00 H new ATOM 0 HB3 ARG A 7 15.251 -14.269 -16.519 1.00 10.00 H new ATOM 0 HG2 ARG A 7 14.384 -11.962 -16.782 1.00 10.00 H new ATOM 0 HG3 ARG A 7 15.092 -11.497 -15.247 1.00 10.00 H new ATOM 0 HD2 ARG A 7 16.650 -12.457 -17.695 1.00 10.00 H new ATOM 0 HD3 ARG A 7 16.511 -10.791 -17.171 1.00 10.00 H new ATOM 0 HE ARG A 7 17.899 -11.247 -15.272 1.00 10.00 H new ATOM 0 HH11 ARG A 7 17.553 -14.114 -17.363 1.00 10.00 H new ATOM 0 HH12 ARG A 7 18.955 -14.918 -16.651 1.00 10.00 H new ATOM 0 HH21 ARG A 7 19.659 -12.303 -14.374 1.00 10.00 H new ATOM 0 HH22 ARG A 7 20.143 -13.896 -14.965 1.00 10.00 H new ATOM 118 N ILE A 8 14.519 -15.676 -13.256 1.00 10.00 N ATOM 119 CA ILE A 8 14.640 -16.972 -12.612 1.00 10.00 C ATOM 120 C ILE A 8 13.997 -16.815 -11.230 1.00 10.00 C ATOM 121 O ILE A 8 14.691 -16.508 -10.266 1.00 10.00 O ATOM 122 CB ILE A 8 16.114 -17.436 -12.607 1.00 10.00 C ATOM 123 CG1 ILE A 8 16.252 -18.765 -11.840 1.00 10.00 C ATOM 124 CG2 ILE A 8 17.118 -16.379 -12.111 1.00 10.00 C ATOM 125 CD1 ILE A 8 17.597 -19.456 -12.087 1.00 10.00 C ATOM 0 H ILE A 8 14.919 -14.925 -12.694 1.00 10.00 H new ATOM 0 HA ILE A 8 14.122 -17.771 -13.143 1.00 10.00 H new ATOM 0 HB ILE A 8 16.385 -17.595 -13.651 1.00 10.00 H new ATOM 0 HG12 ILE A 8 16.136 -18.577 -10.773 1.00 10.00 H new ATOM 0 HG13 ILE A 8 15.445 -19.435 -12.135 1.00 10.00 H new ATOM 0 HG21 ILE A 8 18.126 -16.792 -12.142 1.00 10.00 H new ATOM 0 HG22 ILE A 8 17.067 -15.499 -12.752 1.00 10.00 H new ATOM 0 HG23 ILE A 8 16.873 -16.097 -11.087 1.00 10.00 H new ATOM 0 HD11 ILE A 8 17.637 -20.387 -11.521 1.00 10.00 H new ATOM 0 HD12 ILE A 8 17.705 -19.672 -13.150 1.00 10.00 H new ATOM 0 HD13 ILE A 8 18.407 -18.801 -11.766 1.00 10.00 H new ATOM 137 N PRO A 9 12.669 -16.969 -11.113 1.00 10.00 N ATOM 138 CA PRO A 9 11.970 -16.760 -9.856 1.00 10.00 C ATOM 139 C PRO A 9 12.169 -17.921 -8.884 1.00 10.00 C ATOM 140 O PRO A 9 12.824 -18.920 -9.181 1.00 10.00 O ATOM 141 CB PRO A 9 10.493 -16.634 -10.234 1.00 10.00 C ATOM 142 CG PRO A 9 10.383 -17.503 -11.485 1.00 10.00 C ATOM 143 CD PRO A 9 11.734 -17.312 -12.174 1.00 10.00 C ATOM 0 HA PRO A 9 12.351 -15.876 -9.344 1.00 10.00 H new ATOM 0 HB2 PRO A 9 9.841 -16.990 -9.437 1.00 10.00 H new ATOM 0 HB3 PRO A 9 10.215 -15.600 -10.435 1.00 10.00 H new ATOM 0 HG2 PRO A 9 10.206 -18.548 -11.233 1.00 10.00 H new ATOM 0 HG3 PRO A 9 9.559 -17.185 -12.123 1.00 10.00 H new ATOM 0 HD2 PRO A 9 12.043 -18.221 -12.690 1.00 10.00 H new ATOM 0 HD3 PRO A 9 11.684 -16.522 -12.923 1.00 10.00 H new ATOM 151 N THR A 10 11.563 -17.785 -7.705 1.00 10.00 N ATOM 152 CA THR A 10 11.516 -18.779 -6.649 1.00 10.00 C ATOM 153 C THR A 10 10.390 -18.332 -5.717 1.00 10.00 C ATOM 154 O THR A 10 10.032 -17.154 -5.753 1.00 10.00 O ATOM 155 CB THR A 10 12.856 -18.883 -5.894 1.00 10.00 C ATOM 156 OG1 THR A 10 13.963 -18.570 -6.711 1.00 10.00 O ATOM 157 CG2 THR A 10 13.048 -20.315 -5.403 1.00 10.00 C ATOM 0 H THR A 10 11.067 -16.930 -7.454 1.00 10.00 H new ATOM 0 HA THR A 10 11.336 -19.774 -7.056 1.00 10.00 H new ATOM 0 HB THR A 10 12.811 -18.169 -5.072 1.00 10.00 H new ATOM 0 HG1 THR A 10 14.788 -18.648 -6.188 1.00 10.00 H new ATOM 0 HG21 THR A 10 13.995 -20.393 -4.868 1.00 10.00 H new ATOM 0 HG22 THR A 10 12.230 -20.583 -4.734 1.00 10.00 H new ATOM 0 HG23 THR A 10 13.056 -20.994 -6.256 1.00 10.00 H new ATOM 165 N LEU A 11 9.849 -19.231 -4.893 1.00 10.00 N ATOM 166 CA LEU A 11 8.817 -18.910 -3.915 1.00 10.00 C ATOM 167 C LEU A 11 9.442 -18.998 -2.525 1.00 10.00 C ATOM 168 O LEU A 11 10.308 -19.842 -2.296 1.00 10.00 O ATOM 169 CB LEU A 11 7.622 -19.864 -4.042 1.00 10.00 C ATOM 170 CG LEU A 11 6.923 -19.813 -5.412 1.00 10.00 C ATOM 171 CD1 LEU A 11 5.707 -20.743 -5.388 1.00 10.00 C ATOM 172 CD2 LEU A 11 6.454 -18.399 -5.778 1.00 10.00 C ATOM 0 H LEU A 11 10.121 -20.214 -4.889 1.00 10.00 H new ATOM 0 HA LEU A 11 8.438 -17.903 -4.090 1.00 10.00 H new ATOM 0 HB2 LEU A 11 7.962 -20.883 -3.857 1.00 10.00 H new ATOM 0 HB3 LEU A 11 6.895 -19.625 -3.266 1.00 10.00 H new ATOM 0 HG LEU A 11 7.648 -20.129 -6.162 1.00 10.00 H new ATOM 0 HD11 LEU A 11 5.206 -20.712 -6.356 1.00 10.00 H new ATOM 0 HD12 LEU A 11 6.033 -21.762 -5.180 1.00 10.00 H new ATOM 0 HD13 LEU A 11 5.015 -20.417 -4.611 1.00 10.00 H new ATOM 0 HD21 LEU A 11 5.968 -18.418 -6.753 1.00 10.00 H new ATOM 0 HD22 LEU A 11 5.748 -18.044 -5.027 1.00 10.00 H new ATOM 0 HD23 LEU A 11 7.313 -17.729 -5.814 1.00 10.00 H new ATOM 184 N GLU A 12 9.015 -18.123 -1.615 1.00 10.00 N ATOM 185 CA GLU A 12 9.485 -18.028 -0.245 1.00 10.00 C ATOM 186 C GLU A 12 8.263 -17.972 0.668 1.00 10.00 C ATOM 187 O GLU A 12 7.277 -17.307 0.342 1.00 10.00 O ATOM 188 CB GLU A 12 10.329 -16.758 -0.079 1.00 10.00 C ATOM 189 CG GLU A 12 11.533 -16.745 -1.031 1.00 10.00 C ATOM 190 CD GLU A 12 12.397 -15.509 -0.811 1.00 10.00 C ATOM 191 OE1 GLU A 12 11.905 -14.408 -1.141 1.00 10.00 O ATOM 192 OE2 GLU A 12 13.535 -15.684 -0.324 1.00 10.00 O ATOM 0 H GLU A 12 8.297 -17.431 -1.830 1.00 10.00 H new ATOM 0 HA GLU A 12 10.103 -18.889 0.011 1.00 10.00 H new ATOM 0 HB2 GLU A 12 9.708 -15.882 -0.266 1.00 10.00 H new ATOM 0 HB3 GLU A 12 10.679 -16.686 0.951 1.00 10.00 H new ATOM 0 HG2 GLU A 12 12.132 -17.643 -0.876 1.00 10.00 H new ATOM 0 HG3 GLU A 12 11.184 -16.769 -2.063 1.00 10.00 H new ATOM 199 N GLU A 13 8.322 -18.660 1.809 1.00 10.00 N ATOM 200 CA GLU A 13 7.240 -18.668 2.776 1.00 10.00 C ATOM 201 C GLU A 13 7.190 -17.314 3.483 1.00 10.00 C ATOM 202 O GLU A 13 8.231 -16.745 3.812 1.00 10.00 O ATOM 203 CB GLU A 13 7.397 -19.854 3.746 1.00 10.00 C ATOM 204 CG GLU A 13 8.385 -19.651 4.911 1.00 10.00 C ATOM 205 CD GLU A 13 9.820 -19.354 4.479 1.00 10.00 C ATOM 206 OE1 GLU A 13 10.214 -19.855 3.402 1.00 10.00 O ATOM 207 OE2 GLU A 13 10.503 -18.639 5.243 1.00 10.00 O ATOM 0 H GLU A 13 9.125 -19.226 2.083 1.00 10.00 H new ATOM 0 HA GLU A 13 6.282 -18.811 2.275 1.00 10.00 H new ATOM 0 HB2 GLU A 13 6.418 -20.088 4.164 1.00 10.00 H new ATOM 0 HB3 GLU A 13 7.716 -20.725 3.174 1.00 10.00 H new ATOM 0 HG2 GLU A 13 8.029 -18.830 5.534 1.00 10.00 H new ATOM 0 HG3 GLU A 13 8.384 -20.547 5.532 1.00 10.00 H new ATOM 214 N CYS A 14 5.992 -16.787 3.740 1.00 10.00 N ATOM 215 CA CYS A 14 5.869 -15.523 4.440 1.00 10.00 C ATOM 216 C CYS A 14 6.086 -15.784 5.933 1.00 10.00 C ATOM 217 O CYS A 14 5.151 -16.133 6.657 1.00 10.00 O ATOM 218 CB CYS A 14 4.507 -14.897 4.158 1.00 10.00 C ATOM 219 SG CYS A 14 4.258 -13.283 4.944 1.00 10.00 S ATOM 0 H CYS A 14 5.106 -17.216 3.474 1.00 10.00 H new ATOM 0 HA CYS A 14 6.619 -14.812 4.094 1.00 10.00 H new ATOM 0 HB2 CYS A 14 4.386 -14.787 3.080 1.00 10.00 H new ATOM 0 HB3 CYS A 14 3.728 -15.579 4.498 1.00 10.00 H new ATOM 224 N ASP A 15 7.329 -15.615 6.389 1.00 10.00 N ATOM 225 CA ASP A 15 7.756 -15.803 7.773 1.00 10.00 C ATOM 226 C ASP A 15 6.825 -15.083 8.754 1.00 10.00 C ATOM 227 O ASP A 15 6.526 -15.604 9.829 1.00 10.00 O ATOM 228 CB ASP A 15 9.208 -15.335 7.946 1.00 10.00 C ATOM 229 CG ASP A 15 9.352 -13.816 7.858 1.00 10.00 C ATOM 230 OD1 ASP A 15 8.945 -13.265 6.812 1.00 10.00 O ATOM 231 OD2 ASP A 15 9.837 -13.230 8.850 1.00 10.00 O ATOM 0 H ASP A 15 8.095 -15.332 5.778 1.00 10.00 H new ATOM 0 HA ASP A 15 7.702 -16.867 8.002 1.00 10.00 H new ATOM 0 HB2 ASP A 15 9.583 -15.676 8.911 1.00 10.00 H new ATOM 0 HB3 ASP A 15 9.829 -15.800 7.180 1.00 10.00 H new ATOM 236 N VAL A 16 6.345 -13.900 8.362 1.00 10.00 N ATOM 237 CA VAL A 16 5.419 -13.092 9.142 1.00 10.00 C ATOM 238 C VAL A 16 4.187 -13.912 9.551 1.00 10.00 C ATOM 239 O VAL A 16 3.766 -13.826 10.699 1.00 10.00 O ATOM 240 CB VAL A 16 5.068 -11.811 8.364 1.00 10.00 C ATOM 241 CG1 VAL A 16 4.051 -10.954 9.117 1.00 10.00 C ATOM 242 CG2 VAL A 16 6.324 -10.965 8.117 1.00 10.00 C ATOM 0 H VAL A 16 6.599 -13.472 7.472 1.00 10.00 H new ATOM 0 HA VAL A 16 5.893 -12.783 10.074 1.00 10.00 H new ATOM 0 HB VAL A 16 4.636 -12.128 7.415 1.00 10.00 H new ATOM 0 HG11 VAL A 16 3.829 -10.059 8.536 1.00 10.00 H new ATOM 0 HG12 VAL A 16 3.135 -11.525 9.269 1.00 10.00 H new ATOM 0 HG13 VAL A 16 4.463 -10.666 10.084 1.00 10.00 H new ATOM 0 HG21 VAL A 16 6.053 -10.064 7.566 1.00 10.00 H new ATOM 0 HG22 VAL A 16 6.768 -10.686 9.072 1.00 10.00 H new ATOM 0 HG23 VAL A 16 7.044 -11.543 7.537 1.00 10.00 H new ATOM 252 N CYS A 17 3.648 -14.748 8.655 1.00 10.00 N ATOM 253 CA CYS A 17 2.545 -15.653 8.984 1.00 10.00 C ATOM 254 C CYS A 17 3.041 -17.091 9.096 1.00 10.00 C ATOM 255 O CYS A 17 2.264 -18.039 9.001 1.00 10.00 O ATOM 256 CB CYS A 17 1.410 -15.536 7.977 1.00 10.00 C ATOM 257 SG CYS A 17 1.807 -15.783 6.251 1.00 10.00 S ATOM 0 H CYS A 17 3.964 -14.815 7.687 1.00 10.00 H new ATOM 0 HA CYS A 17 2.148 -15.357 9.955 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.641 -16.258 8.252 1.00 10.00 H new ATOM 0 HB3 CYS A 17 0.968 -14.545 8.082 1.00 10.00 H new ATOM 262 N HIS A 18 4.344 -17.257 9.305 1.00 10.00 N ATOM 263 CA HIS A 18 4.991 -18.534 9.522 1.00 10.00 C ATOM 264 C HIS A 18 4.668 -19.492 8.373 1.00 10.00 C ATOM 265 O HIS A 18 4.510 -20.694 8.569 1.00 10.00 O ATOM 266 CB HIS A 18 4.585 -19.052 10.913 1.00 10.00 C ATOM 267 CG HIS A 18 4.419 -17.964 11.961 1.00 10.00 C ATOM 268 ND1 HIS A 18 5.120 -16.776 12.026 1.00 10.00 N ATOM 269 CD2 HIS A 18 3.364 -17.857 12.831 1.00 10.00 C ATOM 270 CE1 HIS A 18 4.506 -15.988 12.925 1.00 10.00 C ATOM 271 NE2 HIS A 18 3.425 -16.600 13.442 1.00 10.00 N ATOM 0 H HIS A 18 4.996 -16.473 9.327 1.00 10.00 H new ATOM 0 HA HIS A 18 6.077 -18.439 9.518 1.00 10.00 H new ATOM 0 HB2 HIS A 18 3.647 -19.601 10.824 1.00 10.00 H new ATOM 0 HB3 HIS A 18 5.338 -19.761 11.258 1.00 10.00 H new ATOM 0 HD1 HIS A 18 5.954 -16.539 11.488 1.00 10.00 H new ATOM 0 HD2 HIS A 18 2.615 -18.613 13.013 1.00 10.00 H new ATOM 0 HE1 HIS A 18 4.836 -14.996 13.196 1.00 10.00 H new ATOM 279 N GLY A 19 4.558 -18.940 7.161 1.00 10.00 N ATOM 280 CA GLY A 19 4.258 -19.698 5.962 1.00 10.00 C ATOM 281 C GLY A 19 2.816 -20.207 5.866 1.00 10.00 C ATOM 282 O GLY A 19 2.531 -20.977 4.950 1.00 10.00 O ATOM 0 H GLY A 19 4.678 -17.941 6.992 1.00 10.00 H new ATOM 0 HA2 GLY A 19 4.466 -19.074 5.093 1.00 10.00 H new ATOM 0 HA3 GLY A 19 4.934 -20.552 5.911 1.00 10.00 H new ATOM 286 N SER A 20 1.904 -19.809 6.766 1.00 10.00 N ATOM 287 CA SER A 20 0.520 -20.274 6.710 1.00 10.00 C ATOM 288 C SER A 20 -0.300 -19.395 5.764 1.00 10.00 C ATOM 289 O SER A 20 -0.650 -19.811 4.660 1.00 10.00 O ATOM 290 CB SER A 20 -0.098 -20.347 8.116 1.00 10.00 C ATOM 291 OG SER A 20 -0.219 -19.076 8.736 1.00 10.00 O ATOM 0 H SER A 20 2.104 -19.170 7.535 1.00 10.00 H new ATOM 0 HA SER A 20 0.509 -21.288 6.309 1.00 10.00 H new ATOM 0 HB2 SER A 20 -1.083 -20.808 8.050 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.515 -20.994 8.743 1.00 10.00 H new ATOM 0 HG SER A 20 0.673 -18.707 8.903 1.00 10.00 H new ATOM 297 N GLY A 21 -0.609 -18.183 6.232 1.00 10.00 N ATOM 298 CA GLY A 21 -1.400 -17.177 5.542 1.00 10.00 C ATOM 299 C GLY A 21 -2.163 -16.271 6.515 1.00 10.00 C ATOM 300 O GLY A 21 -2.551 -15.170 6.132 1.00 10.00 O ATOM 0 H GLY A 21 -0.295 -17.867 7.150 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -0.746 -16.568 4.919 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -2.108 -17.669 4.875 1.00 10.00 H new ATOM 304 N ALA A 22 -2.380 -16.692 7.767 1.00 10.00 N ATOM 305 CA ALA A 22 -3.092 -15.868 8.746 1.00 10.00 C ATOM 306 C ALA A 22 -2.120 -14.947 9.481 1.00 10.00 C ATOM 307 O ALA A 22 -0.938 -15.259 9.570 1.00 10.00 O ATOM 308 CB ALA A 22 -3.847 -16.752 9.735 1.00 10.00 C ATOM 0 H ALA A 22 -2.073 -17.597 8.124 1.00 10.00 H new ATOM 0 HA ALA A 22 -3.815 -15.248 8.216 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -4.371 -16.125 10.456 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -4.568 -17.367 9.196 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -3.141 -17.396 10.259 1.00 10.00 H new ATOM 314 N LYS A 23 -2.590 -13.807 9.995 1.00 10.00 N ATOM 315 CA LYS A 23 -1.728 -12.854 10.695 1.00 10.00 C ATOM 316 C LYS A 23 -0.854 -13.532 11.778 1.00 10.00 C ATOM 317 O LYS A 23 -1.284 -14.527 12.363 1.00 10.00 O ATOM 318 CB LYS A 23 -2.573 -11.696 11.252 1.00 10.00 C ATOM 319 CG LYS A 23 -3.513 -12.166 12.366 1.00 10.00 C ATOM 320 CD LYS A 23 -4.498 -11.079 12.811 1.00 10.00 C ATOM 321 CE LYS A 23 -3.794 -9.927 13.538 1.00 10.00 C ATOM 322 NZ LYS A 23 -4.766 -8.961 14.076 1.00 10.00 N ATOM 0 H LYS A 23 -3.568 -13.522 9.938 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.021 -12.440 9.976 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.915 -10.917 11.636 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.157 -11.251 10.446 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -4.071 -13.036 12.021 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.921 -12.486 13.223 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -5.025 -10.689 11.940 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -5.249 -11.517 13.468 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.185 -10.325 14.350 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.117 -9.420 12.851 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -4.260 -8.193 14.562 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -5.330 -8.565 13.297 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -5.396 -9.441 14.750 1.00 10.00 H new ATOM 336 N PRO A 24 0.364 -13.017 12.043 1.00 10.00 N ATOM 337 CA PRO A 24 1.326 -13.578 12.987 1.00 10.00 C ATOM 338 C PRO A 24 0.713 -14.110 14.284 1.00 10.00 C ATOM 339 O PRO A 24 -0.140 -13.456 14.888 1.00 10.00 O ATOM 340 CB PRO A 24 2.365 -12.483 13.268 1.00 10.00 C ATOM 341 CG PRO A 24 1.898 -11.268 12.465 1.00 10.00 C ATOM 342 CD PRO A 24 0.952 -11.847 11.419 1.00 10.00 C ATOM 0 HA PRO A 24 1.777 -14.461 12.535 1.00 10.00 H new ATOM 0 HB2 PRO A 24 2.417 -12.254 14.332 1.00 10.00 H new ATOM 0 HB3 PRO A 24 3.362 -12.798 12.960 1.00 10.00 H new ATOM 0 HG2 PRO A 24 1.391 -10.542 13.101 1.00 10.00 H new ATOM 0 HG3 PRO A 24 2.738 -10.752 11.999 1.00 10.00 H new ATOM 0 HD2 PRO A 24 0.186 -11.124 11.138 1.00 10.00 H new ATOM 0 HD3 PRO A 24 1.488 -12.114 10.508 1.00 10.00 H new ATOM 350 N GLY A 25 1.159 -15.295 14.717 1.00 10.00 N ATOM 351 CA GLY A 25 0.703 -15.946 15.938 1.00 10.00 C ATOM 352 C GLY A 25 -0.705 -16.530 15.804 1.00 10.00 C ATOM 353 O GLY A 25 -0.928 -17.707 16.086 1.00 10.00 O ATOM 0 H GLY A 25 1.862 -15.835 14.213 1.00 10.00 H new ATOM 0 HA2 GLY A 25 1.399 -16.742 16.202 1.00 10.00 H new ATOM 0 HA3 GLY A 25 0.717 -15.226 16.756 1.00 10.00 H new ATOM 357 N THR A 26 -1.662 -15.709 15.374 1.00 10.00 N ATOM 358 CA THR A 26 -3.050 -16.101 15.207 1.00 10.00 C ATOM 359 C THR A 26 -3.176 -16.990 13.970 1.00 10.00 C ATOM 360 O THR A 26 -3.566 -16.543 12.894 1.00 10.00 O ATOM 361 CB THR A 26 -3.946 -14.853 15.148 1.00 10.00 C ATOM 362 OG1 THR A 26 -3.528 -13.895 16.104 1.00 10.00 O ATOM 363 CG2 THR A 26 -5.397 -15.226 15.464 1.00 10.00 C ATOM 0 H THR A 26 -1.485 -14.735 15.129 1.00 10.00 H new ATOM 0 HA THR A 26 -3.390 -16.685 16.062 1.00 10.00 H new ATOM 0 HB THR A 26 -3.870 -14.439 14.143 1.00 10.00 H new ATOM 0 HG1 THR A 26 -4.108 -13.106 16.052 1.00 10.00 H new ATOM 0 HG21 THR A 26 -6.020 -14.333 15.419 1.00 10.00 H new ATOM 0 HG22 THR A 26 -5.753 -15.954 14.735 1.00 10.00 H new ATOM 0 HG23 THR A 26 -5.452 -15.657 16.464 1.00 10.00 H new ATOM 371 N GLN A 27 -2.824 -18.265 14.136 1.00 10.00 N ATOM 372 CA GLN A 27 -2.842 -19.256 13.073 1.00 10.00 C ATOM 373 C GLN A 27 -4.242 -19.376 12.441 1.00 10.00 C ATOM 374 O GLN A 27 -5.230 -19.039 13.098 1.00 10.00 O ATOM 375 CB GLN A 27 -2.346 -20.602 13.634 1.00 10.00 C ATOM 376 CG GLN A 27 -3.363 -21.387 14.487 1.00 10.00 C ATOM 377 CD GLN A 27 -3.766 -20.703 15.792 1.00 10.00 C ATOM 378 OE1 GLN A 27 -3.211 -20.995 16.846 1.00 10.00 O ATOM 379 NE2 GLN A 27 -4.734 -19.794 15.748 1.00 10.00 N ATOM 0 H GLN A 27 -2.513 -18.640 15.032 1.00 10.00 H new ATOM 0 HA GLN A 27 -2.172 -18.941 12.273 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -2.038 -21.231 12.799 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -1.458 -20.417 14.239 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -4.259 -21.559 13.891 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -2.942 -22.365 14.720 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -5.181 -19.568 14.860 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -5.030 -19.323 16.603 1.00 10.00 H new ATOM 388 N PRO A 28 -4.346 -19.852 11.187 1.00 10.00 N ATOM 389 CA PRO A 28 -5.624 -19.996 10.501 1.00 10.00 C ATOM 390 C PRO A 28 -6.611 -20.894 11.247 1.00 10.00 C ATOM 391 O PRO A 28 -6.228 -21.635 12.150 1.00 10.00 O ATOM 392 CB PRO A 28 -5.293 -20.649 9.162 1.00 10.00 C ATOM 393 CG PRO A 28 -3.826 -20.317 8.914 1.00 10.00 C ATOM 394 CD PRO A 28 -3.252 -20.288 10.328 1.00 10.00 C ATOM 0 HA PRO A 28 -6.101 -19.020 10.415 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -5.453 -21.727 9.198 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -5.926 -20.259 8.365 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -3.339 -21.069 8.293 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -3.706 -19.359 8.407 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -2.890 -21.272 10.624 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -2.406 -19.604 10.393 1.00 10.00 H new ATOM 402 N GLN A 29 -7.874 -20.885 10.813 1.00 10.00 N ATOM 403 CA GLN A 29 -8.884 -21.758 11.394 1.00 10.00 C ATOM 404 C GLN A 29 -8.892 -23.069 10.606 1.00 10.00 C ATOM 405 O GLN A 29 -9.077 -23.053 9.391 1.00 10.00 O ATOM 406 CB GLN A 29 -10.252 -21.065 11.375 1.00 10.00 C ATOM 407 CG GLN A 29 -10.261 -19.841 12.302 1.00 10.00 C ATOM 408 CD GLN A 29 -11.638 -19.184 12.375 1.00 10.00 C ATOM 409 OE1 GLN A 29 -12.441 -19.286 11.454 1.00 10.00 O ATOM 410 NE2 GLN A 29 -11.928 -18.494 13.474 1.00 10.00 N ATOM 0 H GLN A 29 -8.216 -20.283 10.064 1.00 10.00 H new ATOM 0 HA GLN A 29 -8.655 -21.977 12.437 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -10.494 -20.757 10.358 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -11.024 -21.768 11.687 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -9.950 -20.142 13.302 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -9.531 -19.113 11.947 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -11.244 -18.423 14.227 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -12.835 -18.036 13.564 1.00 10.00 H new ATOM 419 N THR A 30 -8.662 -24.204 11.268 1.00 10.00 N ATOM 420 CA THR A 30 -8.641 -25.517 10.644 1.00 10.00 C ATOM 421 C THR A 30 -9.922 -25.740 9.838 1.00 10.00 C ATOM 422 O THR A 30 -11.011 -25.636 10.397 1.00 10.00 O ATOM 423 CB THR A 30 -8.545 -26.563 11.764 1.00 10.00 C ATOM 424 OG1 THR A 30 -7.681 -26.074 12.776 1.00 10.00 O ATOM 425 CG2 THR A 30 -8.015 -27.897 11.233 1.00 10.00 C ATOM 0 H THR A 30 -8.482 -24.231 12.272 1.00 10.00 H new ATOM 0 HA THR A 30 -7.792 -25.599 9.965 1.00 10.00 H new ATOM 0 HB THR A 30 -9.542 -26.736 12.169 1.00 10.00 H new ATOM 0 HG1 THR A 30 -7.615 -26.735 13.497 1.00 10.00 H new ATOM 0 HG21 THR A 30 -7.958 -28.617 12.049 1.00 10.00 H new ATOM 0 HG22 THR A 30 -8.687 -28.275 10.462 1.00 10.00 H new ATOM 0 HG23 THR A 30 -7.022 -27.751 10.809 1.00 10.00 H new ATOM 433 N CYS A 31 -9.821 -26.062 8.543 1.00 10.00 N ATOM 434 CA CYS A 31 -11.014 -26.315 7.751 1.00 10.00 C ATOM 435 C CYS A 31 -11.688 -27.590 8.270 1.00 10.00 C ATOM 436 O CYS A 31 -11.072 -28.656 8.218 1.00 10.00 O ATOM 437 CB CYS A 31 -10.654 -26.480 6.279 1.00 10.00 C ATOM 438 SG CYS A 31 -12.113 -26.705 5.234 1.00 10.00 S ATOM 0 H CYS A 31 -8.941 -26.151 8.036 1.00 10.00 H new ATOM 0 HA CYS A 31 -11.695 -25.469 7.842 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -10.101 -25.603 5.942 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -9.992 -27.338 6.164 1.00 10.00 H new ATOM 443 N PRO A 32 -12.933 -27.523 8.766 1.00 10.00 N ATOM 444 CA PRO A 32 -13.591 -28.687 9.323 1.00 10.00 C ATOM 445 C PRO A 32 -13.933 -29.710 8.239 1.00 10.00 C ATOM 446 O PRO A 32 -13.808 -30.906 8.478 1.00 10.00 O ATOM 447 CB PRO A 32 -14.814 -28.142 10.060 1.00 10.00 C ATOM 448 CG PRO A 32 -15.163 -26.874 9.281 1.00 10.00 C ATOM 449 CD PRO A 32 -13.790 -26.349 8.859 1.00 10.00 C ATOM 0 HA PRO A 32 -12.950 -29.239 10.010 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -15.637 -28.856 10.054 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -14.589 -27.923 11.104 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -15.796 -27.089 8.420 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -15.699 -26.154 9.899 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -13.846 -25.828 7.903 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -13.402 -25.637 9.587 1.00 10.00 H new ATOM 457 N THR A 33 -14.340 -29.261 7.048 1.00 10.00 N ATOM 458 CA THR A 33 -14.722 -30.103 5.921 1.00 10.00 C ATOM 459 C THR A 33 -13.726 -31.243 5.653 1.00 10.00 C ATOM 460 O THR A 33 -14.131 -32.392 5.497 1.00 10.00 O ATOM 461 CB THR A 33 -14.891 -29.193 4.699 1.00 10.00 C ATOM 462 OG1 THR A 33 -15.397 -27.938 5.119 1.00 10.00 O ATOM 463 CG2 THR A 33 -15.828 -29.799 3.653 1.00 10.00 C ATOM 0 H THR A 33 -14.414 -28.265 6.839 1.00 10.00 H new ATOM 0 HA THR A 33 -15.660 -30.607 6.154 1.00 10.00 H new ATOM 0 HB THR A 33 -13.913 -29.075 4.233 1.00 10.00 H new ATOM 0 HG1 THR A 33 -14.660 -27.295 5.190 1.00 10.00 H new ATOM 0 HG21 THR A 33 -15.917 -29.119 2.806 1.00 10.00 H new ATOM 0 HG22 THR A 33 -15.424 -30.752 3.312 1.00 10.00 H new ATOM 0 HG23 THR A 33 -16.812 -29.959 4.095 1.00 10.00 H new ATOM 471 N CYS A 34 -12.427 -30.925 5.618 1.00 10.00 N ATOM 472 CA CYS A 34 -11.354 -31.904 5.422 1.00 10.00 C ATOM 473 C CYS A 34 -10.686 -32.265 6.752 1.00 10.00 C ATOM 474 O CYS A 34 -9.670 -32.953 6.753 1.00 10.00 O ATOM 475 CB CYS A 34 -10.319 -31.387 4.408 1.00 10.00 C ATOM 476 SG CYS A 34 -9.842 -29.654 4.550 1.00 10.00 S ATOM 0 H CYS A 34 -12.088 -29.969 5.726 1.00 10.00 H new ATOM 0 HA CYS A 34 -11.800 -32.812 5.016 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -9.420 -31.996 4.499 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -10.714 -31.550 3.405 1.00 10.00 H new ATOM 481 N HIS A 35 -11.206 -31.788 7.887 1.00 10.00 N ATOM 482 CA HIS A 35 -10.596 -31.993 9.198 1.00 10.00 C ATOM 483 C HIS A 35 -9.139 -31.507 9.145 1.00 10.00 C ATOM 484 O HIS A 35 -8.237 -32.149 9.673 1.00 10.00 O ATOM 485 CB HIS A 35 -10.681 -33.469 9.633 1.00 10.00 C ATOM 486 CG HIS A 35 -12.032 -34.135 9.501 1.00 10.00 C ATOM 487 ND1 HIS A 35 -13.240 -33.527 9.247 1.00 10.00 N ATOM 488 CD2 HIS A 35 -12.263 -35.483 9.580 1.00 10.00 C ATOM 489 CE1 HIS A 35 -14.174 -34.490 9.168 1.00 10.00 C ATOM 490 NE2 HIS A 35 -13.628 -35.700 9.369 1.00 10.00 N ATOM 0 H HIS A 35 -12.069 -31.245 7.919 1.00 10.00 H new ATOM 0 HA HIS A 35 -11.142 -31.417 9.945 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -9.961 -34.039 9.046 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -10.368 -33.536 10.675 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -13.398 -32.525 9.138 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -11.521 -36.244 9.772 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -15.221 -34.315 8.970 1.00 10.00 H new ATOM 498 N GLY A 36 -8.900 -30.386 8.454 1.00 10.00 N ATOM 499 CA GLY A 36 -7.569 -29.831 8.248 1.00 10.00 C ATOM 500 C GLY A 36 -6.731 -30.590 7.207 1.00 10.00 C ATOM 501 O GLY A 36 -5.672 -30.108 6.820 1.00 10.00 O ATOM 0 H GLY A 36 -9.640 -29.836 8.019 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -7.664 -28.791 7.935 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -7.036 -29.830 9.199 1.00 10.00 H new ATOM 505 N SER A 37 -7.176 -31.760 6.738 1.00 10.00 N ATOM 506 CA SER A 37 -6.434 -32.624 5.823 1.00 10.00 C ATOM 507 C SER A 37 -6.319 -32.117 4.378 1.00 10.00 C ATOM 508 O SER A 37 -5.816 -32.848 3.525 1.00 10.00 O ATOM 509 CB SER A 37 -7.032 -34.036 5.843 1.00 10.00 C ATOM 510 OG SER A 37 -7.414 -34.413 7.151 1.00 10.00 O ATOM 0 H SER A 37 -8.088 -32.140 6.993 1.00 10.00 H new ATOM 0 HA SER A 37 -5.411 -32.625 6.198 1.00 10.00 H new ATOM 0 HB2 SER A 37 -7.899 -34.076 5.183 1.00 10.00 H new ATOM 0 HB3 SER A 37 -6.303 -34.748 5.455 1.00 10.00 H new ATOM 0 HG SER A 37 -8.311 -34.068 7.342 1.00 10.00 H new ATOM 516 N GLY A 38 -6.799 -30.908 4.068 1.00 10.00 N ATOM 517 CA GLY A 38 -6.675 -30.291 2.747 1.00 10.00 C ATOM 518 C GLY A 38 -7.582 -30.865 1.655 1.00 10.00 C ATOM 519 O GLY A 38 -7.965 -30.146 0.731 1.00 10.00 O ATOM 0 H GLY A 38 -7.293 -30.322 4.741 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -6.884 -29.226 2.844 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -5.640 -30.384 2.419 1.00 10.00 H new ATOM 523 N GLN A 39 -7.943 -32.144 1.744 1.00 10.00 N ATOM 524 CA GLN A 39 -8.786 -32.822 0.776 1.00 10.00 C ATOM 525 C GLN A 39 -9.932 -33.519 1.496 1.00 10.00 C ATOM 526 O GLN A 39 -9.826 -33.869 2.670 1.00 10.00 O ATOM 527 CB GLN A 39 -7.962 -33.763 -0.123 1.00 10.00 C ATOM 528 CG GLN A 39 -6.876 -34.588 0.581 1.00 10.00 C ATOM 529 CD GLN A 39 -7.434 -35.492 1.671 1.00 10.00 C ATOM 530 OE1 GLN A 39 -8.309 -36.314 1.421 1.00 10.00 O ATOM 531 NE2 GLN A 39 -6.956 -35.327 2.899 1.00 10.00 N ATOM 0 H GLN A 39 -7.647 -32.747 2.512 1.00 10.00 H new ATOM 0 HA GLN A 39 -9.227 -32.090 0.100 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -8.647 -34.450 -0.620 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -7.488 -33.166 -0.902 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -6.353 -35.197 -0.157 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -6.139 -33.913 1.017 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -6.228 -34.634 3.074 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -7.317 -35.893 3.667 1.00 10.00 H new ATOM 540 N VAL A 40 -11.022 -33.709 0.762 1.00 10.00 N ATOM 541 CA VAL A 40 -12.223 -34.394 1.191 1.00 10.00 C ATOM 542 C VAL A 40 -12.167 -35.780 0.562 1.00 10.00 C ATOM 543 O VAL A 40 -11.653 -35.919 -0.549 1.00 10.00 O ATOM 544 CB VAL A 40 -13.470 -33.637 0.704 1.00 10.00 C ATOM 545 CG1 VAL A 40 -13.750 -32.405 1.561 1.00 10.00 C ATOM 546 CG2 VAL A 40 -13.343 -33.202 -0.762 1.00 10.00 C ATOM 0 H VAL A 40 -11.090 -33.370 -0.197 1.00 10.00 H new ATOM 0 HA VAL A 40 -12.282 -34.453 2.278 1.00 10.00 H new ATOM 0 HB VAL A 40 -14.301 -34.337 0.795 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -14.638 -31.896 1.187 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -13.915 -32.710 2.594 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -12.897 -31.728 1.515 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -14.246 -32.671 -1.064 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -12.481 -32.544 -0.873 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -13.212 -34.081 -1.392 1.00 10.00 H new ATOM 556 N GLN A 41 -12.706 -36.789 1.248 1.00 10.00 N ATOM 557 CA GLN A 41 -12.751 -38.153 0.755 1.00 10.00 C ATOM 558 C GLN A 41 -14.210 -38.529 0.508 1.00 10.00 C ATOM 559 O GLN A 41 -14.979 -38.686 1.453 1.00 10.00 O ATOM 560 CB GLN A 41 -12.030 -39.076 1.735 1.00 10.00 C ATOM 561 CG GLN A 41 -11.881 -40.481 1.142 1.00 10.00 C ATOM 562 CD GLN A 41 -10.836 -41.289 1.900 1.00 10.00 C ATOM 563 OE1 GLN A 41 -9.731 -41.496 1.409 1.00 10.00 O ATOM 564 NE2 GLN A 41 -11.168 -41.744 3.104 1.00 10.00 N ATOM 0 H GLN A 41 -13.126 -36.674 2.170 1.00 10.00 H new ATOM 0 HA GLN A 41 -12.227 -38.257 -0.195 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -11.047 -38.669 1.971 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -12.586 -39.127 2.671 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -12.840 -40.997 1.177 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -11.597 -40.408 0.092 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -12.096 -41.554 3.483 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -10.495 -42.283 3.649 1.00 10.00 H new ATOM 573 N MET A 42 -14.579 -38.654 -0.766 1.00 10.00 N ATOM 574 CA MET A 42 -15.917 -38.985 -1.227 1.00 10.00 C ATOM 575 C MET A 42 -15.960 -40.452 -1.640 1.00 10.00 C ATOM 576 O MET A 42 -15.034 -40.936 -2.287 1.00 10.00 O ATOM 577 CB MET A 42 -16.238 -38.081 -2.425 1.00 10.00 C ATOM 578 CG MET A 42 -17.586 -38.388 -3.096 1.00 10.00 C ATOM 579 SD MET A 42 -19.035 -38.514 -2.015 1.00 10.00 S ATOM 580 CE MET A 42 -19.028 -36.880 -1.245 1.00 10.00 C ATOM 0 H MET A 42 -13.922 -38.521 -1.534 1.00 10.00 H new ATOM 0 HA MET A 42 -16.652 -38.829 -0.437 1.00 10.00 H new ATOM 0 HB2 MET A 42 -16.237 -37.042 -2.094 1.00 10.00 H new ATOM 0 HB3 MET A 42 -15.444 -38.181 -3.165 1.00 10.00 H new ATOM 0 HG2 MET A 42 -17.781 -37.611 -3.835 1.00 10.00 H new ATOM 0 HG3 MET A 42 -17.487 -39.327 -3.640 1.00 10.00 H new ATOM 0 HE1 MET A 42 -19.864 -36.802 -0.550 1.00 10.00 H new ATOM 0 HE2 MET A 42 -18.092 -36.736 -0.705 1.00 10.00 H new ATOM 0 HE3 MET A 42 -19.124 -36.115 -2.015 1.00 10.00 H new ATOM 590 N ARG A 43 -17.045 -41.155 -1.313 1.00 10.00 N ATOM 591 CA ARG A 43 -17.232 -42.531 -1.742 1.00 10.00 C ATOM 592 C ARG A 43 -17.974 -42.474 -3.079 1.00 10.00 C ATOM 593 O ARG A 43 -19.154 -42.129 -3.107 1.00 10.00 O ATOM 594 CB ARG A 43 -17.943 -43.352 -0.659 1.00 10.00 C ATOM 595 CG ARG A 43 -17.532 -44.828 -0.764 1.00 10.00 C ATOM 596 CD ARG A 43 -18.190 -45.673 0.333 1.00 10.00 C ATOM 597 NE ARG A 43 -19.650 -45.683 0.191 1.00 10.00 N ATOM 598 CZ ARG A 43 -20.311 -46.356 -0.760 1.00 10.00 C ATOM 599 NH1 ARG A 43 -19.678 -47.218 -1.560 1.00 10.00 N ATOM 600 NH2 ARG A 43 -21.620 -46.152 -0.934 1.00 10.00 N ATOM 0 H ARG A 43 -17.810 -40.786 -0.748 1.00 10.00 H new ATOM 0 HA ARG A 43 -16.285 -43.050 -1.889 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -17.689 -42.965 0.328 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -19.023 -43.258 -0.770 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -17.814 -45.217 -1.743 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -16.448 -44.911 -0.688 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -17.810 -46.694 0.286 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -17.920 -45.277 1.312 1.00 10.00 H new ATOM 0 HE ARG A 43 -20.198 -45.142 0.860 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -18.676 -47.372 -1.452 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -20.197 -47.722 -2.279 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -22.115 -45.484 -0.343 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -22.124 -46.664 -1.658 1.00 10.00 H new ATOM 614 N GLN A 44 -17.294 -42.774 -4.191 1.00 10.00 N ATOM 615 CA GLN A 44 -17.880 -42.687 -5.529 1.00 10.00 C ATOM 616 C GLN A 44 -18.814 -43.866 -5.810 1.00 10.00 C ATOM 617 O GLN A 44 -18.604 -44.638 -6.741 1.00 10.00 O ATOM 618 CB GLN A 44 -16.800 -42.443 -6.607 1.00 10.00 C ATOM 619 CG GLN A 44 -15.581 -43.385 -6.661 1.00 10.00 C ATOM 620 CD GLN A 44 -15.858 -44.757 -7.271 1.00 10.00 C ATOM 621 OE1 GLN A 44 -15.866 -45.769 -6.576 1.00 10.00 O ATOM 622 NE2 GLN A 44 -16.061 -44.813 -8.584 1.00 10.00 N ATOM 0 H GLN A 44 -16.322 -43.084 -4.187 1.00 10.00 H new ATOM 0 HA GLN A 44 -18.521 -41.806 -5.572 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -17.290 -42.481 -7.580 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -16.427 -41.427 -6.477 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -14.791 -42.901 -7.235 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -15.201 -43.523 -5.649 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -16.049 -43.957 -9.139 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -16.228 -45.712 -9.036 1.00 10.00 H new ATOM 631 N GLY A 45 -19.853 -44.039 -4.992 1.00 10.00 N ATOM 632 CA GLY A 45 -20.804 -45.133 -5.138 1.00 10.00 C ATOM 633 C GLY A 45 -20.232 -46.451 -4.613 1.00 10.00 C ATOM 634 O GLY A 45 -20.935 -47.185 -3.919 1.00 10.00 O ATOM 0 H GLY A 45 -20.056 -43.420 -4.207 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -21.721 -44.893 -4.599 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -21.072 -45.245 -6.189 1.00 10.00 H new ATOM 638 N PHE A 46 -18.971 -46.754 -4.943 1.00 10.00 N ATOM 639 CA PHE A 46 -18.278 -47.970 -4.550 1.00 10.00 C ATOM 640 C PHE A 46 -17.111 -47.675 -3.602 1.00 10.00 C ATOM 641 O PHE A 46 -17.183 -47.990 -2.414 1.00 10.00 O ATOM 642 CB PHE A 46 -17.812 -48.719 -5.808 1.00 10.00 C ATOM 643 CG PHE A 46 -18.931 -49.016 -6.788 1.00 10.00 C ATOM 644 CD1 PHE A 46 -19.719 -50.170 -6.630 1.00 10.00 C ATOM 645 CD2 PHE A 46 -19.238 -48.091 -7.805 1.00 10.00 C ATOM 646 CE1 PHE A 46 -20.799 -50.409 -7.499 1.00 10.00 C ATOM 647 CE2 PHE A 46 -20.321 -48.328 -8.668 1.00 10.00 C ATOM 648 CZ PHE A 46 -21.099 -49.489 -8.519 1.00 10.00 C ATOM 0 H PHE A 46 -18.393 -46.134 -5.510 1.00 10.00 H new ATOM 0 HA PHE A 46 -18.969 -48.606 -3.997 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -17.048 -48.127 -6.311 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -17.343 -49.657 -5.510 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -19.495 -50.873 -5.841 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -18.640 -47.199 -7.921 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -21.398 -51.300 -7.383 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -20.556 -47.617 -9.447 1.00 10.00 H new ATOM 0 HZ PHE A 46 -21.927 -49.674 -9.188 1.00 10.00 H new ATOM 658 N PHE A 47 -16.028 -47.101 -4.131 1.00 10.00 N ATOM 659 CA PHE A 47 -14.773 -46.879 -3.423 1.00 10.00 C ATOM 660 C PHE A 47 -14.593 -45.432 -2.973 1.00 10.00 C ATOM 661 O PHE A 47 -15.257 -44.524 -3.470 1.00 10.00 O ATOM 662 CB PHE A 47 -13.624 -47.299 -4.351 1.00 10.00 C ATOM 663 CG PHE A 47 -13.871 -48.617 -5.065 1.00 10.00 C ATOM 664 CD1 PHE A 47 -13.995 -49.804 -4.319 1.00 10.00 C ATOM 665 CD2 PHE A 47 -14.146 -48.631 -6.447 1.00 10.00 C ATOM 666 CE1 PHE A 47 -14.393 -50.996 -4.949 1.00 10.00 C ATOM 667 CE2 PHE A 47 -14.547 -49.823 -7.076 1.00 10.00 C ATOM 668 CZ PHE A 47 -14.672 -51.006 -6.326 1.00 10.00 C ATOM 0 H PHE A 47 -16.004 -46.769 -5.095 1.00 10.00 H new ATOM 0 HA PHE A 47 -14.779 -47.478 -2.512 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -13.463 -46.517 -5.094 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -12.707 -47.378 -3.767 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -13.784 -49.799 -3.260 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -14.049 -47.724 -7.025 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -14.484 -51.905 -4.374 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -14.759 -49.830 -8.135 1.00 10.00 H new ATOM 0 HZ PHE A 47 -14.982 -51.921 -6.808 1.00 10.00 H new ATOM 678 N ALA A 48 -13.665 -45.226 -2.035 1.00 10.00 N ATOM 679 CA ALA A 48 -13.311 -43.925 -1.489 1.00 10.00 C ATOM 680 C ALA A 48 -12.261 -43.256 -2.376 1.00 10.00 C ATOM 681 O ALA A 48 -11.243 -43.875 -2.676 1.00 10.00 O ATOM 682 CB ALA A 48 -12.771 -44.121 -0.070 1.00 10.00 C ATOM 0 H ALA A 48 -13.125 -45.988 -1.625 1.00 10.00 H new ATOM 0 HA ALA A 48 -14.189 -43.280 -1.457 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -12.501 -43.154 0.353 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -13.537 -44.587 0.550 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -11.890 -44.762 -0.101 1.00 10.00 H new ATOM 688 N VAL A 49 -12.491 -42.004 -2.784 1.00 10.00 N ATOM 689 CA VAL A 49 -11.575 -41.216 -3.591 1.00 10.00 C ATOM 690 C VAL A 49 -11.480 -39.820 -2.992 1.00 10.00 C ATOM 691 O VAL A 49 -12.435 -39.332 -2.388 1.00 10.00 O ATOM 692 CB VAL A 49 -12.026 -41.167 -5.054 1.00 10.00 C ATOM 693 CG1 VAL A 49 -11.705 -42.509 -5.713 1.00 10.00 C ATOM 694 CG2 VAL A 49 -13.508 -40.806 -5.219 1.00 10.00 C ATOM 0 H VAL A 49 -13.348 -41.502 -2.551 1.00 10.00 H new ATOM 0 HA VAL A 49 -10.589 -41.681 -3.584 1.00 10.00 H new ATOM 0 HB VAL A 49 -11.477 -40.366 -5.549 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -12.021 -42.487 -6.756 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -10.631 -42.691 -5.663 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -12.233 -43.307 -5.190 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -13.762 -40.788 -6.279 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -14.122 -41.549 -4.711 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -13.694 -39.824 -4.785 1.00 10.00 H new ATOM 704 N GLN A 50 -10.312 -39.197 -3.136 1.00 10.00 N ATOM 705 CA GLN A 50 -10.023 -37.896 -2.566 1.00 10.00 C ATOM 706 C GLN A 50 -10.134 -36.787 -3.604 1.00 10.00 C ATOM 707 O GLN A 50 -9.814 -36.992 -4.773 1.00 10.00 O ATOM 708 CB GLN A 50 -8.650 -37.941 -1.900 1.00 10.00 C ATOM 709 CG GLN A 50 -8.775 -38.768 -0.616 1.00 10.00 C ATOM 710 CD GLN A 50 -7.436 -38.998 0.073 1.00 10.00 C ATOM 711 OE1 GLN A 50 -6.475 -38.261 -0.130 1.00 10.00 O ATOM 712 NE2 GLN A 50 -7.353 -40.051 0.880 1.00 10.00 N ATOM 0 H GLN A 50 -9.532 -39.593 -3.661 1.00 10.00 H new ATOM 0 HA GLN A 50 -10.769 -37.660 -1.807 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -7.915 -38.387 -2.571 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -8.303 -36.933 -1.672 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -9.450 -38.260 0.073 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -9.226 -39.731 -0.853 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -8.169 -40.645 1.029 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -6.474 -40.265 1.350 1.00 10.00 H new ATOM 721 N GLN A 51 -10.598 -35.616 -3.160 1.00 10.00 N ATOM 722 CA GLN A 51 -10.770 -34.429 -3.980 1.00 10.00 C ATOM 723 C GLN A 51 -10.264 -33.246 -3.159 1.00 10.00 C ATOM 724 O GLN A 51 -10.471 -33.215 -1.947 1.00 10.00 O ATOM 725 CB GLN A 51 -12.254 -34.208 -4.323 1.00 10.00 C ATOM 726 CG GLN A 51 -13.066 -35.479 -4.622 1.00 10.00 C ATOM 727 CD GLN A 51 -14.561 -35.176 -4.611 1.00 10.00 C ATOM 728 OE1 GLN A 51 -15.097 -34.848 -3.437 1.00 10.00 O flip ATOM 729 NE2 GLN A 51 -15.230 -35.235 -5.637 1.00 10.00 N flip ATOM 0 H GLN A 51 -10.871 -35.470 -2.188 1.00 10.00 H new ATOM 0 HA GLN A 51 -10.222 -34.537 -4.916 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -12.726 -33.685 -3.491 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -12.313 -33.549 -5.189 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -12.778 -35.881 -5.593 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -12.839 -36.245 -3.880 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -14.788 -35.490 -6.520 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -16.229 -35.029 -5.607 1.00 10.00 H new ATOM 738 N THR A 52 -9.609 -32.273 -3.788 1.00 10.00 N ATOM 739 CA THR A 52 -9.127 -31.088 -3.101 1.00 10.00 C ATOM 740 C THR A 52 -10.293 -30.367 -2.419 1.00 10.00 C ATOM 741 O THR A 52 -11.336 -30.185 -3.044 1.00 10.00 O ATOM 742 CB THR A 52 -8.482 -30.170 -4.141 1.00 10.00 C ATOM 743 OG1 THR A 52 -7.610 -30.933 -4.952 1.00 10.00 O ATOM 744 CG2 THR A 52 -7.712 -29.056 -3.436 1.00 10.00 C ATOM 0 H THR A 52 -9.400 -32.288 -4.786 1.00 10.00 H new ATOM 0 HA THR A 52 -8.401 -31.363 -2.336 1.00 10.00 H new ATOM 0 HB THR A 52 -9.252 -29.719 -4.767 1.00 10.00 H new ATOM 0 HG1 THR A 52 -7.194 -30.352 -5.622 1.00 10.00 H new ATOM 0 HG21 THR A 52 -7.254 -28.404 -4.179 1.00 10.00 H new ATOM 0 HG22 THR A 52 -8.396 -28.476 -2.817 1.00 10.00 H new ATOM 0 HG23 THR A 52 -6.935 -29.492 -2.808 1.00 10.00 H new ATOM 752 N CYS A 53 -10.137 -29.930 -1.165 1.00 10.00 N ATOM 753 CA CYS A 53 -11.205 -29.208 -0.492 1.00 10.00 C ATOM 754 C CYS A 53 -11.256 -27.773 -1.038 1.00 10.00 C ATOM 755 O CYS A 53 -10.277 -27.040 -0.884 1.00 10.00 O ATOM 756 CB CYS A 53 -10.962 -29.204 1.013 1.00 10.00 C ATOM 757 SG CYS A 53 -12.316 -28.444 1.938 1.00 10.00 S ATOM 0 H CYS A 53 -9.293 -30.064 -0.608 1.00 10.00 H new ATOM 0 HA CYS A 53 -12.161 -29.697 -0.680 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -10.823 -30.229 1.357 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -10.037 -28.668 1.226 1.00 10.00 H new ATOM 762 N PRO A 54 -12.359 -27.340 -1.671 1.00 10.00 N ATOM 763 CA PRO A 54 -12.448 -26.011 -2.253 1.00 10.00 C ATOM 764 C PRO A 54 -12.516 -24.919 -1.184 1.00 10.00 C ATOM 765 O PRO A 54 -11.935 -23.851 -1.365 1.00 10.00 O ATOM 766 CB PRO A 54 -13.702 -26.036 -3.131 1.00 10.00 C ATOM 767 CG PRO A 54 -14.595 -27.073 -2.452 1.00 10.00 C ATOM 768 CD PRO A 54 -13.589 -28.088 -1.906 1.00 10.00 C ATOM 0 HA PRO A 54 -11.559 -25.771 -2.836 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -14.182 -25.058 -3.172 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -13.467 -26.319 -4.157 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -15.194 -26.631 -1.656 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -15.289 -27.531 -3.157 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -13.953 -28.542 -0.984 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -13.425 -28.897 -2.617 1.00 10.00 H new ATOM 776 N HIS A 55 -13.225 -25.177 -0.078 1.00 10.00 N ATOM 777 CA HIS A 55 -13.438 -24.231 1.016 1.00 10.00 C ATOM 778 C HIS A 55 -12.143 -23.560 1.494 1.00 10.00 C ATOM 779 O HIS A 55 -12.150 -22.368 1.807 1.00 10.00 O ATOM 780 CB HIS A 55 -14.157 -24.947 2.168 1.00 10.00 C ATOM 781 CG HIS A 55 -14.675 -24.034 3.254 1.00 10.00 C ATOM 782 ND1 HIS A 55 -14.418 -22.686 3.390 1.00 10.00 N ATOM 783 CD2 HIS A 55 -15.494 -24.401 4.288 1.00 10.00 C ATOM 784 CE1 HIS A 55 -15.068 -22.257 4.485 1.00 10.00 C ATOM 785 NE2 HIS A 55 -15.736 -23.266 5.068 1.00 10.00 N ATOM 0 H HIS A 55 -13.678 -26.077 0.082 1.00 10.00 H new ATOM 0 HA HIS A 55 -14.062 -23.420 0.640 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -14.993 -25.514 1.759 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -13.471 -25.667 2.614 1.00 10.00 H new ATOM 0 HD1 HIS A 55 -13.839 -22.118 2.772 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -15.884 -25.392 4.469 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -15.055 -21.240 4.847 1.00 10.00 H new ATOM 793 N CYS A 56 -11.049 -24.324 1.546 1.00 10.00 N ATOM 794 CA CYS A 56 -9.724 -23.859 1.952 1.00 10.00 C ATOM 795 C CYS A 56 -8.729 -23.944 0.793 1.00 10.00 C ATOM 796 O CYS A 56 -7.523 -23.990 1.025 1.00 10.00 O ATOM 797 CB CYS A 56 -9.236 -24.699 3.130 1.00 10.00 C ATOM 798 SG CYS A 56 -9.263 -26.476 2.815 1.00 10.00 S ATOM 0 H CYS A 56 -11.063 -25.313 1.299 1.00 10.00 H new ATOM 0 HA CYS A 56 -9.796 -22.813 2.251 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -8.219 -24.399 3.382 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -9.856 -24.484 4.000 1.00 10.00 H new ATOM 803 N GLN A 57 -9.226 -23.976 -0.448 1.00 10.00 N ATOM 804 CA GLN A 57 -8.428 -24.025 -1.664 1.00 10.00 C ATOM 805 C GLN A 57 -7.275 -25.031 -1.536 1.00 10.00 C ATOM 806 O GLN A 57 -6.137 -24.738 -1.894 1.00 10.00 O ATOM 807 CB GLN A 57 -7.938 -22.610 -2.022 1.00 10.00 C ATOM 808 CG GLN A 57 -9.057 -21.556 -2.144 1.00 10.00 C ATOM 809 CD GLN A 57 -9.626 -21.106 -0.797 1.00 10.00 C ATOM 810 OE1 GLN A 57 -8.964 -20.410 -0.032 1.00 10.00 O ATOM 811 NE2 GLN A 57 -10.849 -21.514 -0.478 1.00 10.00 N ATOM 0 H GLN A 57 -10.229 -23.968 -0.633 1.00 10.00 H new ATOM 0 HA GLN A 57 -9.051 -24.381 -2.485 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -7.229 -22.282 -1.262 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -7.395 -22.656 -2.966 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -8.669 -20.686 -2.673 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -9.865 -21.965 -2.752 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -11.380 -22.092 -1.130 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -11.257 -21.250 0.419 1.00 10.00 H new ATOM 820 N GLY A 58 -7.571 -26.223 -1.012 1.00 10.00 N ATOM 821 CA GLY A 58 -6.596 -27.289 -0.841 1.00 10.00 C ATOM 822 C GLY A 58 -5.579 -27.094 0.289 1.00 10.00 C ATOM 823 O GLY A 58 -4.855 -28.038 0.596 1.00 10.00 O ATOM 0 H GLY A 58 -8.507 -26.472 -0.693 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -7.133 -28.221 -0.663 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -6.051 -27.409 -1.777 1.00 10.00 H new ATOM 827 N ARG A 59 -5.491 -25.918 0.924 1.00 10.00 N ATOM 828 CA ARG A 59 -4.504 -25.694 1.977 1.00 10.00 C ATOM 829 C ARG A 59 -4.806 -26.545 3.211 1.00 10.00 C ATOM 830 O ARG A 59 -3.910 -27.117 3.824 1.00 10.00 O ATOM 831 CB ARG A 59 -4.493 -24.221 2.403 1.00 10.00 C ATOM 832 CG ARG A 59 -4.108 -23.234 1.294 1.00 10.00 C ATOM 833 CD ARG A 59 -4.025 -21.817 1.882 1.00 10.00 C ATOM 834 NE ARG A 59 -5.303 -21.428 2.497 1.00 10.00 N ATOM 835 CZ ARG A 59 -6.387 -21.008 1.835 1.00 10.00 C ATOM 836 NH1 ARG A 59 -6.312 -20.612 0.563 1.00 10.00 N ATOM 837 NH2 ARG A 59 -7.569 -20.999 2.454 1.00 10.00 N ATOM 0 H ARG A 59 -6.088 -25.115 0.726 1.00 10.00 H new ATOM 0 HA ARG A 59 -3.533 -25.975 1.569 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -5.483 -23.958 2.777 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -3.797 -24.103 3.233 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -3.150 -23.516 0.857 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -4.845 -23.265 0.492 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -3.230 -21.774 2.627 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -3.764 -21.108 1.097 1.00 10.00 H new ATOM 0 HE ARG A 59 -5.368 -21.483 3.513 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -5.416 -20.626 0.077 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -7.151 -20.295 0.077 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -7.640 -21.310 3.423 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -8.402 -20.681 1.958 1.00 10.00 H new ATOM 851 N GLY A 60 -6.081 -26.553 3.603 1.00 10.00 N ATOM 852 CA GLY A 60 -6.579 -27.200 4.815 1.00 10.00 C ATOM 853 C GLY A 60 -6.908 -26.155 5.885 1.00 10.00 C ATOM 854 O GLY A 60 -7.564 -26.460 6.879 1.00 10.00 O ATOM 0 H GLY A 60 -6.818 -26.094 3.068 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -7.470 -27.784 4.583 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -5.832 -27.896 5.196 1.00 10.00 H new ATOM 858 N THR A 61 -6.439 -24.922 5.688 1.00 10.00 N ATOM 859 CA THR A 61 -6.561 -23.810 6.605 1.00 10.00 C ATOM 860 C THR A 61 -7.442 -22.701 6.034 1.00 10.00 C ATOM 861 O THR A 61 -7.216 -22.244 4.911 1.00 10.00 O ATOM 862 CB THR A 61 -5.144 -23.266 6.802 1.00 10.00 C ATOM 863 OG1 THR A 61 -4.485 -23.210 5.553 1.00 10.00 O ATOM 864 CG2 THR A 61 -4.343 -24.153 7.760 1.00 10.00 C ATOM 0 H THR A 61 -5.939 -24.669 4.836 1.00 10.00 H new ATOM 0 HA THR A 61 -7.020 -24.141 7.536 1.00 10.00 H new ATOM 0 HB THR A 61 -5.215 -22.268 7.234 1.00 10.00 H new ATOM 0 HG1 THR A 61 -5.115 -22.912 4.864 1.00 10.00 H new ATOM 0 HG21 THR A 61 -3.340 -23.744 7.882 1.00 10.00 H new ATOM 0 HG22 THR A 61 -4.842 -24.186 8.729 1.00 10.00 H new ATOM 0 HG23 THR A 61 -4.276 -25.162 7.352 1.00 10.00 H new ATOM 872 N LEU A 62 -8.396 -22.227 6.834 1.00 10.00 N ATOM 873 CA LEU A 62 -9.256 -21.104 6.511 1.00 10.00 C ATOM 874 C LEU A 62 -8.577 -19.847 7.039 1.00 10.00 C ATOM 875 O LEU A 62 -8.421 -19.661 8.253 1.00 10.00 O ATOM 876 CB LEU A 62 -10.649 -21.267 7.130 1.00 10.00 C ATOM 877 CG LEU A 62 -11.396 -22.515 6.643 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.726 -22.611 7.395 1.00 10.00 C ATOM 879 CD2 LEU A 62 -11.668 -22.453 5.137 1.00 10.00 C ATOM 0 H LEU A 62 -8.593 -22.630 7.750 1.00 10.00 H new ATOM 0 HA LEU A 62 -9.400 -21.043 5.432 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -10.552 -21.312 8.215 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -11.245 -20.384 6.900 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.777 -23.391 6.836 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -13.270 -23.494 7.060 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -12.534 -22.687 8.465 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -13.322 -21.720 7.196 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -12.199 -23.353 4.826 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -12.277 -21.577 4.913 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.722 -22.385 4.599 1.00 10.00 H new ATOM 891 N ILE A 63 -8.166 -18.990 6.105 1.00 10.00 N ATOM 892 CA ILE A 63 -7.499 -17.732 6.376 1.00 10.00 C ATOM 893 C ILE A 63 -8.555 -16.726 6.848 1.00 10.00 C ATOM 894 O ILE A 63 -8.911 -15.791 6.136 1.00 10.00 O ATOM 895 CB ILE A 63 -6.749 -17.272 5.111 1.00 10.00 C ATOM 896 CG1 ILE A 63 -5.843 -18.356 4.499 1.00 10.00 C ATOM 897 CG2 ILE A 63 -5.924 -16.020 5.420 1.00 10.00 C ATOM 898 CD1 ILE A 63 -4.720 -18.826 5.424 1.00 10.00 C ATOM 0 H ILE A 63 -8.296 -19.165 5.109 1.00 10.00 H new ATOM 0 HA ILE A 63 -6.753 -17.830 7.165 1.00 10.00 H new ATOM 0 HB ILE A 63 -7.513 -17.052 4.365 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -6.456 -19.214 4.224 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -5.404 -17.970 3.579 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -5.397 -15.701 4.521 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -6.586 -15.222 5.755 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -5.201 -16.245 6.204 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -4.128 -19.589 4.919 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -4.081 -17.981 5.679 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -5.149 -19.244 6.335 1.00 10.00 H new ATOM 910 N LYS A 64 -9.082 -16.942 8.052 1.00 10.00 N ATOM 911 CA LYS A 64 -10.110 -16.088 8.627 1.00 10.00 C ATOM 912 C LYS A 64 -9.606 -14.641 8.750 1.00 10.00 C ATOM 913 O LYS A 64 -10.330 -13.691 8.460 1.00 10.00 O ATOM 914 CB LYS A 64 -10.511 -16.661 9.996 1.00 10.00 C ATOM 915 CG LYS A 64 -11.602 -15.854 10.716 1.00 10.00 C ATOM 916 CD LYS A 64 -12.924 -15.853 9.937 1.00 10.00 C ATOM 917 CE LYS A 64 -14.052 -15.194 10.740 1.00 10.00 C ATOM 918 NZ LYS A 64 -13.778 -13.770 11.005 1.00 10.00 N ATOM 0 H LYS A 64 -8.805 -17.717 8.655 1.00 10.00 H new ATOM 0 HA LYS A 64 -10.984 -16.067 7.977 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -10.860 -17.685 9.862 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -9.627 -16.706 10.632 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -11.767 -16.272 11.709 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -11.262 -14.828 10.855 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -12.791 -15.323 8.994 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -13.203 -16.878 9.691 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -14.990 -15.288 10.193 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -14.181 -15.721 11.685 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -14.593 -13.344 11.490 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -12.934 -13.685 11.606 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -13.613 -13.275 10.105 1.00 10.00 H new ATOM 932 N ASP A 65 -8.367 -14.496 9.224 1.00 10.00 N ATOM 933 CA ASP A 65 -7.668 -13.247 9.504 1.00 10.00 C ATOM 934 C ASP A 65 -6.383 -13.179 8.659 1.00 10.00 C ATOM 935 O ASP A 65 -5.313 -13.543 9.149 1.00 10.00 O ATOM 936 CB ASP A 65 -7.395 -13.159 11.016 1.00 10.00 C ATOM 937 CG ASP A 65 -6.683 -14.363 11.645 1.00 10.00 C ATOM 938 OD1 ASP A 65 -6.733 -15.469 11.061 1.00 10.00 O ATOM 939 OD2 ASP A 65 -6.130 -14.153 12.744 1.00 10.00 O ATOM 0 H ASP A 65 -7.787 -15.308 9.436 1.00 10.00 H new ATOM 0 HA ASP A 65 -8.276 -12.385 9.228 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -6.795 -12.269 11.205 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -8.346 -13.017 11.529 1.00 10.00 H new ATOM 944 N PRO A 66 -6.476 -12.755 7.386 1.00 10.00 N ATOM 945 CA PRO A 66 -5.367 -12.774 6.441 1.00 10.00 C ATOM 946 C PRO A 66 -4.171 -11.882 6.771 1.00 10.00 C ATOM 947 O PRO A 66 -4.308 -10.724 7.166 1.00 10.00 O ATOM 948 CB PRO A 66 -5.964 -12.385 5.081 1.00 10.00 C ATOM 949 CG PRO A 66 -7.217 -11.599 5.451 1.00 10.00 C ATOM 950 CD PRO A 66 -7.690 -12.300 6.722 1.00 10.00 C ATOM 0 HA PRO A 66 -4.935 -13.774 6.466 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -5.270 -11.781 4.496 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -6.204 -13.264 4.482 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -6.997 -10.546 5.627 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -7.968 -11.640 4.662 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.255 -11.620 7.359 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.347 -13.137 6.488 1.00 10.00 H new ATOM 958 N CYS A 67 -2.979 -12.426 6.515 1.00 10.00 N ATOM 959 CA CYS A 67 -1.715 -11.724 6.611 1.00 10.00 C ATOM 960 C CYS A 67 -1.627 -10.784 5.408 1.00 10.00 C ATOM 961 O CYS A 67 -1.152 -11.173 4.336 1.00 10.00 O ATOM 962 CB CYS A 67 -0.578 -12.748 6.595 1.00 10.00 C ATOM 963 SG CYS A 67 1.103 -12.064 6.647 1.00 10.00 S ATOM 0 H CYS A 67 -2.873 -13.399 6.227 1.00 10.00 H new ATOM 0 HA CYS A 67 -1.638 -11.148 7.533 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -0.704 -13.416 7.447 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -0.675 -13.356 5.696 1.00 10.00 H new ATOM 968 N ASN A 68 -2.124 -9.558 5.585 1.00 10.00 N ATOM 969 CA ASN A 68 -2.166 -8.513 4.566 1.00 10.00 C ATOM 970 C ASN A 68 -0.881 -8.436 3.738 1.00 10.00 C ATOM 971 O ASN A 68 -0.955 -8.317 2.517 1.00 10.00 O ATOM 972 CB ASN A 68 -2.459 -7.160 5.221 1.00 10.00 C ATOM 973 CG ASN A 68 -2.427 -6.039 4.185 1.00 10.00 C ATOM 974 OD1 ASN A 68 -1.447 -5.309 4.089 1.00 10.00 O ATOM 975 ND2 ASN A 68 -3.489 -5.897 3.398 1.00 10.00 N ATOM 0 H ASN A 68 -2.522 -9.257 6.475 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.968 -8.771 3.874 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -3.436 -7.188 5.703 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -1.724 -6.962 6.001 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -3.504 -5.164 2.689 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -4.289 -6.521 3.503 1.00 10.00 H new ATOM 982 N LYS A 69 0.283 -8.526 4.396 1.00 10.00 N ATOM 983 CA LYS A 69 1.595 -8.480 3.754 1.00 10.00 C ATOM 984 C LYS A 69 1.669 -9.381 2.516 1.00 10.00 C ATOM 985 O LYS A 69 2.194 -8.965 1.488 1.00 10.00 O ATOM 986 CB LYS A 69 2.689 -8.851 4.767 1.00 10.00 C ATOM 987 CG LYS A 69 4.086 -8.602 4.177 1.00 10.00 C ATOM 988 CD LYS A 69 5.182 -8.986 5.174 1.00 10.00 C ATOM 989 CE LYS A 69 6.563 -8.740 4.554 1.00 10.00 C ATOM 990 NZ LYS A 69 7.649 -9.118 5.474 1.00 10.00 N ATOM 0 H LYS A 69 0.335 -8.635 5.409 1.00 10.00 H new ATOM 0 HA LYS A 69 1.758 -7.459 3.409 1.00 10.00 H new ATOM 0 HB2 LYS A 69 2.563 -8.263 5.676 1.00 10.00 H new ATOM 0 HB3 LYS A 69 2.590 -9.899 5.049 1.00 10.00 H new ATOM 0 HG2 LYS A 69 4.205 -9.180 3.260 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.188 -7.551 3.907 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.075 -8.402 6.088 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.081 -10.035 5.453 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.654 -9.311 3.630 1.00 10.00 H new ATOM 0 HE3 LYS A 69 6.661 -7.687 4.289 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 8.567 -8.938 5.020 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 7.577 -8.555 6.346 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.571 -10.129 5.707 1.00 10.00 H new ATOM 1004 N CYS A 70 1.137 -10.605 2.611 1.00 10.00 N ATOM 1005 CA CYS A 70 1.117 -11.559 1.505 1.00 10.00 C ATOM 1006 C CYS A 70 -0.319 -11.797 1.039 1.00 10.00 C ATOM 1007 O CYS A 70 -0.626 -12.852 0.489 1.00 10.00 O ATOM 1008 CB CYS A 70 1.777 -12.869 1.946 1.00 10.00 C ATOM 1009 SG CYS A 70 0.933 -13.713 3.304 1.00 10.00 S ATOM 0 H CYS A 70 0.706 -10.960 3.465 1.00 10.00 H new ATOM 0 HA CYS A 70 1.679 -11.153 0.664 1.00 10.00 H new ATOM 0 HB2 CYS A 70 1.826 -13.543 1.090 1.00 10.00 H new ATOM 0 HB3 CYS A 70 2.804 -12.661 2.247 1.00 10.00 H new ATOM 1014 N HIS A 71 -1.205 -10.830 1.284 1.00 10.00 N ATOM 1015 CA HIS A 71 -2.617 -10.882 0.937 1.00 10.00 C ATOM 1016 C HIS A 71 -3.235 -12.225 1.344 1.00 10.00 C ATOM 1017 O HIS A 71 -3.984 -12.832 0.579 1.00 10.00 O ATOM 1018 CB HIS A 71 -2.791 -10.579 -0.559 1.00 10.00 C ATOM 1019 CG HIS A 71 -2.249 -9.240 -1.006 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -1.701 -8.255 -0.212 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -2.210 -8.792 -2.300 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -1.339 -7.240 -1.016 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -1.632 -7.519 -2.295 1.00 10.00 N ATOM 0 H HIS A 71 -0.944 -9.959 1.747 1.00 10.00 H new ATOM 0 HA HIS A 71 -3.157 -10.118 1.496 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -2.298 -11.364 -1.133 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -3.852 -10.624 -0.803 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -1.590 -8.290 0.801 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -2.563 -9.327 -3.169 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -0.876 -6.325 -0.678 1.00 10.00 H new ATOM 1031 N GLY A 72 -2.903 -12.713 2.542 1.00 10.00 N ATOM 1032 CA GLY A 72 -3.427 -13.966 3.054 1.00 10.00 C ATOM 1033 C GLY A 72 -3.017 -15.216 2.272 1.00 10.00 C ATOM 1034 O GLY A 72 -3.529 -16.292 2.567 1.00 10.00 O ATOM 0 H GLY A 72 -2.261 -12.243 3.180 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -3.101 -14.081 4.088 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -4.515 -13.907 3.067 1.00 10.00 H new ATOM 1038 N HIS A 73 -2.112 -15.115 1.292 1.00 10.00 N ATOM 1039 CA HIS A 73 -1.692 -16.272 0.509 1.00 10.00 C ATOM 1040 C HIS A 73 -0.897 -17.214 1.408 1.00 10.00 C ATOM 1041 O HIS A 73 -1.274 -18.370 1.597 1.00 10.00 O ATOM 1042 CB HIS A 73 -0.872 -15.831 -0.712 1.00 10.00 C ATOM 1043 CG HIS A 73 -1.648 -15.037 -1.738 1.00 10.00 C ATOM 1044 ND1 HIS A 73 -2.741 -14.227 -1.513 1.00 10.00 N ATOM 1045 CD2 HIS A 73 -1.364 -14.975 -3.077 1.00 10.00 C ATOM 1046 CE1 HIS A 73 -3.105 -13.699 -2.692 1.00 10.00 C ATOM 1047 NE2 HIS A 73 -2.297 -14.125 -3.677 1.00 10.00 N ATOM 0 H HIS A 73 -1.659 -14.241 1.026 1.00 10.00 H new ATOM 0 HA HIS A 73 -2.568 -16.800 0.131 1.00 10.00 H new ATOM 0 HB2 HIS A 73 -0.029 -15.231 -0.369 1.00 10.00 H new ATOM 0 HB3 HIS A 73 -0.458 -16.717 -1.194 1.00 10.00 H new ATOM 0 HD1 HIS A 73 -3.191 -14.059 -0.613 1.00 10.00 H new ATOM 0 HD2 HIS A 73 -0.560 -15.492 -3.580 1.00 10.00 H new ATOM 0 HE1 HIS A 73 -3.936 -13.023 -2.830 1.00 10.00 H new ATOM 1055 N GLY A 74 0.202 -16.697 1.963 1.00 10.00 N ATOM 1056 CA GLY A 74 1.080 -17.401 2.891 1.00 10.00 C ATOM 1057 C GLY A 74 2.508 -17.575 2.385 1.00 10.00 C ATOM 1058 O GLY A 74 3.417 -17.846 3.169 1.00 10.00 O ATOM 0 H GLY A 74 0.512 -15.745 1.770 1.00 10.00 H new ATOM 0 HA2 GLY A 74 1.104 -16.857 3.835 1.00 10.00 H new ATOM 0 HA3 GLY A 74 0.657 -18.384 3.100 1.00 10.00 H new ATOM 1062 N ARG A 75 2.724 -17.381 1.087 1.00 10.00 N ATOM 1063 CA ARG A 75 4.023 -17.463 0.446 1.00 10.00 C ATOM 1064 C ARG A 75 4.034 -16.424 -0.666 1.00 10.00 C ATOM 1065 O ARG A 75 2.967 -16.051 -1.156 1.00 10.00 O ATOM 1066 CB ARG A 75 4.309 -18.897 -0.023 1.00 10.00 C ATOM 1067 CG ARG A 75 3.201 -19.509 -0.898 1.00 10.00 C ATOM 1068 CD ARG A 75 2.927 -20.972 -0.514 1.00 10.00 C ATOM 1069 NE ARG A 75 2.487 -21.117 0.888 1.00 10.00 N ATOM 1070 CZ ARG A 75 1.300 -20.734 1.383 1.00 10.00 C ATOM 1071 NH1 ARG A 75 0.363 -20.238 0.571 1.00 10.00 N ATOM 1072 NH2 ARG A 75 1.057 -20.826 2.695 1.00 10.00 N ATOM 0 H ARG A 75 1.972 -17.155 0.436 1.00 10.00 H new ATOM 0 HA ARG A 75 4.837 -17.237 1.135 1.00 10.00 H new ATOM 0 HB2 ARG A 75 5.244 -18.904 -0.583 1.00 10.00 H new ATOM 0 HB3 ARG A 75 4.457 -19.530 0.852 1.00 10.00 H new ATOM 0 HG2 ARG A 75 2.287 -18.926 -0.791 1.00 10.00 H new ATOM 0 HG3 ARG A 75 3.492 -19.455 -1.947 1.00 10.00 H new ATOM 0 HD2 ARG A 75 2.163 -21.380 -1.175 1.00 10.00 H new ATOM 0 HD3 ARG A 75 3.831 -21.560 -0.670 1.00 10.00 H new ATOM 0 HE ARG A 75 3.144 -21.547 1.539 1.00 10.00 H new ATOM 0 HH11 ARG A 75 0.549 -20.150 -0.428 1.00 10.00 H new ATOM 0 HH12 ARG A 75 -0.538 -19.948 0.950 1.00 10.00 H new ATOM 0 HH21 ARG A 75 1.775 -21.188 3.322 1.00 10.00 H new ATOM 0 HH22 ARG A 75 0.154 -20.534 3.068 1.00 10.00 H new ATOM 1086 N VAL A 76 5.220 -15.927 -1.018 1.00 10.00 N ATOM 1087 CA VAL A 76 5.405 -14.871 -2.002 1.00 10.00 C ATOM 1088 C VAL A 76 6.572 -15.227 -2.919 1.00 10.00 C ATOM 1089 O VAL A 76 7.400 -16.067 -2.577 1.00 10.00 O ATOM 1090 CB VAL A 76 5.646 -13.526 -1.287 1.00 10.00 C ATOM 1091 CG1 VAL A 76 4.408 -13.093 -0.492 1.00 10.00 C ATOM 1092 CG2 VAL A 76 6.859 -13.567 -0.345 1.00 10.00 C ATOM 0 H VAL A 76 6.096 -16.258 -0.615 1.00 10.00 H new ATOM 0 HA VAL A 76 4.507 -14.773 -2.612 1.00 10.00 H new ATOM 0 HB VAL A 76 5.851 -12.800 -2.074 1.00 10.00 H new ATOM 0 HG11 VAL A 76 4.607 -12.142 0.002 1.00 10.00 H new ATOM 0 HG12 VAL A 76 3.562 -12.980 -1.170 1.00 10.00 H new ATOM 0 HG13 VAL A 76 4.174 -13.849 0.258 1.00 10.00 H new ATOM 0 HG21 VAL A 76 6.982 -12.595 0.132 1.00 10.00 H new ATOM 0 HG22 VAL A 76 6.701 -14.328 0.419 1.00 10.00 H new ATOM 0 HG23 VAL A 76 7.756 -13.807 -0.916 1.00 10.00 H new ATOM 1102 N GLU A 77 6.642 -14.581 -4.083 1.00 10.00 N ATOM 1103 CA GLU A 77 7.722 -14.787 -5.032 1.00 10.00 C ATOM 1104 C GLU A 77 8.954 -14.005 -4.572 1.00 10.00 C ATOM 1105 O GLU A 77 8.830 -12.933 -3.983 1.00 10.00 O ATOM 1106 CB GLU A 77 7.257 -14.326 -6.423 1.00 10.00 C ATOM 1107 CG GLU A 77 8.302 -14.560 -7.526 1.00 10.00 C ATOM 1108 CD GLU A 77 7.902 -13.870 -8.825 1.00 10.00 C ATOM 1109 OE1 GLU A 77 8.099 -12.635 -8.884 1.00 10.00 O ATOM 1110 OE2 GLU A 77 7.413 -14.585 -9.726 1.00 10.00 O ATOM 0 H GLU A 77 5.947 -13.900 -4.390 1.00 10.00 H new ATOM 0 HA GLU A 77 7.989 -15.842 -5.087 1.00 10.00 H new ATOM 0 HB2 GLU A 77 6.340 -14.854 -6.684 1.00 10.00 H new ATOM 0 HB3 GLU A 77 7.014 -13.264 -6.383 1.00 10.00 H new ATOM 0 HG2 GLU A 77 9.271 -14.186 -7.197 1.00 10.00 H new ATOM 0 HG3 GLU A 77 8.416 -15.630 -7.700 1.00 10.00 H new ATOM 1117 N ARG A 78 10.145 -14.512 -4.898 1.00 10.00 N ATOM 1118 CA ARG A 78 11.427 -13.864 -4.649 1.00 10.00 C ATOM 1119 C ARG A 78 11.611 -12.736 -5.680 1.00 10.00 C ATOM 1120 O ARG A 78 12.610 -12.680 -6.392 1.00 10.00 O ATOM 1121 CB ARG A 78 12.529 -14.931 -4.772 1.00 10.00 C ATOM 1122 CG ARG A 78 13.864 -14.483 -4.161 1.00 10.00 C ATOM 1123 CD ARG A 78 15.047 -15.182 -4.840 1.00 10.00 C ATOM 1124 NE ARG A 78 15.404 -14.496 -6.092 1.00 10.00 N ATOM 1125 CZ ARG A 78 15.240 -14.947 -7.346 1.00 10.00 C ATOM 1126 NH1 ARG A 78 14.742 -16.158 -7.601 1.00 10.00 N ATOM 1127 NH2 ARG A 78 15.598 -14.169 -8.373 1.00 10.00 N ATOM 0 H ARG A 78 10.243 -15.417 -5.359 1.00 10.00 H new ATOM 0 HA ARG A 78 11.474 -13.425 -3.652 1.00 10.00 H new ATOM 0 HB2 ARG A 78 12.199 -15.846 -4.280 1.00 10.00 H new ATOM 0 HB3 ARG A 78 12.679 -15.171 -5.824 1.00 10.00 H new ATOM 0 HG2 ARG A 78 13.969 -13.403 -4.263 1.00 10.00 H new ATOM 0 HG3 ARG A 78 13.871 -14.705 -3.094 1.00 10.00 H new ATOM 0 HD2 ARG A 78 15.905 -15.193 -4.168 1.00 10.00 H new ATOM 0 HD3 ARG A 78 14.792 -16.221 -5.048 1.00 10.00 H new ATOM 0 HE ARG A 78 15.824 -13.572 -5.996 1.00 10.00 H new ATOM 0 HH11 ARG A 78 14.473 -16.771 -6.832 1.00 10.00 H new ATOM 0 HH12 ARG A 78 14.630 -16.471 -8.565 1.00 10.00 H new ATOM 0 HH21 ARG A 78 15.991 -13.244 -8.199 1.00 10.00 H new ATOM 0 HH22 ARG A 78 15.478 -14.501 -9.330 1.00 10.00 H new ATOM 1141 N SER A 79 10.629 -11.840 -5.797 1.00 10.00 N ATOM 1142 CA SER A 79 10.641 -10.767 -6.775 1.00 10.00 C ATOM 1143 C SER A 79 11.851 -9.857 -6.577 1.00 10.00 C ATOM 1144 O SER A 79 11.955 -9.178 -5.555 1.00 10.00 O ATOM 1145 CB SER A 79 9.321 -9.999 -6.677 1.00 10.00 C ATOM 1146 OG SER A 79 8.242 -10.915 -6.726 1.00 10.00 O ATOM 0 H SER A 79 9.798 -11.845 -5.206 1.00 10.00 H new ATOM 0 HA SER A 79 10.732 -11.182 -7.779 1.00 10.00 H new ATOM 0 HB2 SER A 79 9.287 -9.429 -5.749 1.00 10.00 H new ATOM 0 HB3 SER A 79 9.242 -9.282 -7.495 1.00 10.00 H new ATOM 0 HG SER A 79 8.312 -11.459 -7.538 1.00 10.00 H new TER 1152 SER A 79 HETATM 1153 ZN ZN A 80 2.031 -13.699 5.314 1.00 10.00 ZN HETATM 1154 ZN ZN A 81 -10.908 -27.833 3.643 1.00 10.00 ZN