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 37 SER OG : rot -74:sc= 1.87 USER MOD Set 1.2: A 39 GLN : amide:sc= 1.01 K(o=2.9,f=1.5) USER MOD Set 2.1: A 33 THR OG1 : rot 148:sc= 1.27 USER MOD Set 2.2: A 55 HIS : no HD1:sc= 0.896 K(o=2.2,f=-5.3!) USER MOD Set 3.1: A 27 GLN : amide:sc= -0.138 K(o=1,f=0.067) USER MOD Set 3.2: A 29 GLN : amide:sc= 1.14 K(o=1,f=0.067) USER MOD Set 4.1: A 18 HIS : no HE2:sc= -0.218 K(o=1.4,f=-0.64) USER MOD Set 4.2: A 20 SER OG : rot -56:sc= 1.64 USER MOD Single : A 1 GLY N :NH3+ 165:sc= 1.19 (180deg=0.924) USER MOD Single : A 3 THR OG1 : rot 63:sc= 0.115 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -110:sc= 0.952 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0346 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0508 USER MOD Single : A 35 HIS : no HE2:sc= 1.53 K(o=1.5,f=-9.6!) USER MOD Single : A 41 GLN : amide:sc= 1.79 K(o=1.8,f=-5.7!) USER MOD Single : A 42 MET CE :methyl 163:sc=-0.00263 (180deg=-0.227) USER MOD Single : A 44 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.155 F(o=-0.92,f=-0.15) USER MOD Single : A 51 GLN : amide:sc= -0.48 K(o=-0.48,f=-3.7!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0333 USER MOD Single : A 57 GLN : amide:sc= 1.55 K(o=1.5,f=-9.4!) USER MOD Single : A 61 THR OG1 : rot -66:sc= 0.725 USER MOD Single : A 64 LYS NZ :NH3+ -130:sc=-0.00715 (180deg=-0.164) USER MOD Single : A 68 ASN : amide:sc= -0.0165 X(o=-0.017,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0276) USER MOD Single : A 71 HIS : no HE2:sc= 0.473 K(o=0.47,f=-2.8!) USER MOD Single : A 73 HIS : no HE2:sc= -0.637 X(o=-0.64,f=-1.1) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0438 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.191 -18.505 -18.093 1.00 10.00 N ATOM 2 CA GLY A 1 20.809 -18.736 -17.707 1.00 10.00 C ATOM 3 C GLY A 1 20.595 -20.160 -17.187 1.00 10.00 C ATOM 4 O GLY A 1 19.531 -20.742 -17.399 1.00 10.00 O ATOM 0 H1 GLY A 1 22.251 -17.640 -18.667 1.00 10.00 H new ATOM 0 H2 GLY A 1 22.776 -18.396 -17.240 1.00 10.00 H new ATOM 0 H3 GLY A 1 22.536 -19.313 -18.649 1.00 10.00 H new ATOM 0 HA2 GLY A 1 20.522 -18.021 -16.936 1.00 10.00 H new ATOM 0 HA3 GLY A 1 20.158 -18.560 -18.563 1.00 10.00 H new ATOM 8 N VAL A 2 21.603 -20.720 -16.512 1.00 10.00 N ATOM 9 CA VAL A 2 21.555 -22.083 -15.998 1.00 10.00 C ATOM 10 C VAL A 2 20.579 -22.219 -14.823 1.00 10.00 C ATOM 11 O VAL A 2 20.137 -21.221 -14.246 1.00 10.00 O ATOM 12 CB VAL A 2 22.970 -22.583 -15.650 1.00 10.00 C ATOM 13 CG1 VAL A 2 23.888 -22.528 -16.878 1.00 10.00 C ATOM 14 CG2 VAL A 2 23.608 -21.802 -14.495 1.00 10.00 C ATOM 0 H VAL A 2 22.477 -20.235 -16.308 1.00 10.00 H new ATOM 0 HA VAL A 2 21.166 -22.727 -16.787 1.00 10.00 H new ATOM 0 HB VAL A 2 22.856 -23.617 -15.325 1.00 10.00 H new ATOM 0 HG11 VAL A 2 24.881 -22.886 -16.606 1.00 10.00 H new ATOM 0 HG12 VAL A 2 23.478 -23.159 -17.667 1.00 10.00 H new ATOM 0 HG13 VAL A 2 23.958 -21.500 -17.234 1.00 10.00 H new ATOM 0 HG21 VAL A 2 24.603 -22.198 -14.294 1.00 10.00 H new ATOM 0 HG22 VAL A 2 23.684 -20.749 -14.766 1.00 10.00 H new ATOM 0 HG23 VAL A 2 22.990 -21.903 -13.603 1.00 10.00 H new ATOM 24 N THR A 3 20.262 -23.468 -14.459 1.00 10.00 N ATOM 25 CA THR A 3 19.355 -23.853 -13.384 1.00 10.00 C ATOM 26 C THR A 3 19.976 -23.557 -12.015 1.00 10.00 C ATOM 27 O THR A 3 20.281 -24.465 -11.245 1.00 10.00 O ATOM 28 CB THR A 3 19.038 -25.344 -13.556 1.00 10.00 C ATOM 29 OG1 THR A 3 20.257 -26.045 -13.692 1.00 10.00 O ATOM 30 CG2 THR A 3 18.192 -25.593 -14.808 1.00 10.00 C ATOM 0 H THR A 3 20.657 -24.278 -14.937 1.00 10.00 H new ATOM 0 HA THR A 3 18.433 -23.274 -13.434 1.00 10.00 H new ATOM 0 HB THR A 3 18.477 -25.684 -12.686 1.00 10.00 H new ATOM 0 HG1 THR A 3 20.786 -25.943 -12.874 1.00 10.00 H new ATOM 0 HG21 THR A 3 17.985 -26.659 -14.901 1.00 10.00 H new ATOM 0 HG22 THR A 3 17.252 -25.046 -14.727 1.00 10.00 H new ATOM 0 HG23 THR A 3 18.736 -25.251 -15.689 1.00 10.00 H new ATOM 38 N LYS A 4 20.151 -22.266 -11.753 1.00 10.00 N ATOM 39 CA LYS A 4 20.695 -21.611 -10.570 1.00 10.00 C ATOM 40 C LYS A 4 20.241 -20.150 -10.637 1.00 10.00 C ATOM 41 O LYS A 4 19.823 -19.566 -9.639 1.00 10.00 O ATOM 42 CB LYS A 4 22.231 -21.664 -10.530 1.00 10.00 C ATOM 43 CG LYS A 4 22.798 -23.085 -10.403 1.00 10.00 C ATOM 44 CD LYS A 4 24.272 -23.086 -9.972 1.00 10.00 C ATOM 45 CE LYS A 4 25.185 -22.449 -11.027 1.00 10.00 C ATOM 46 NZ LYS A 4 26.600 -22.526 -10.626 1.00 10.00 N ATOM 0 H LYS A 4 19.882 -21.571 -12.450 1.00 10.00 H new ATOM 0 HA LYS A 4 20.339 -22.119 -9.674 1.00 10.00 H new ATOM 0 HB2 LYS A 4 22.625 -21.205 -11.437 1.00 10.00 H new ATOM 0 HB3 LYS A 4 22.584 -21.065 -9.690 1.00 10.00 H new ATOM 0 HG2 LYS A 4 22.209 -23.646 -9.677 1.00 10.00 H new ATOM 0 HG3 LYS A 4 22.701 -23.600 -11.359 1.00 10.00 H new ATOM 0 HD2 LYS A 4 24.374 -22.545 -9.031 1.00 10.00 H new ATOM 0 HD3 LYS A 4 24.594 -24.111 -9.787 1.00 10.00 H new ATOM 0 HE2 LYS A 4 25.048 -22.954 -11.983 1.00 10.00 H new ATOM 0 HE3 LYS A 4 24.903 -21.407 -11.174 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 27.193 -22.087 -11.359 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 26.734 -22.023 -9.726 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 26.874 -23.522 -10.510 1.00 10.00 H new ATOM 60 N GLU A 5 20.297 -19.571 -11.841 1.00 10.00 N ATOM 61 CA GLU A 5 19.851 -18.221 -12.110 1.00 10.00 C ATOM 62 C GLU A 5 18.321 -18.209 -12.063 1.00 10.00 C ATOM 63 O GLU A 5 17.658 -18.275 -13.098 1.00 10.00 O ATOM 64 CB GLU A 5 20.396 -17.782 -13.477 1.00 10.00 C ATOM 65 CG GLU A 5 21.932 -17.747 -13.480 1.00 10.00 C ATOM 66 CD GLU A 5 22.477 -17.414 -14.863 1.00 10.00 C ATOM 67 OE1 GLU A 5 22.269 -16.261 -15.296 1.00 10.00 O ATOM 68 OE2 GLU A 5 23.077 -18.327 -15.476 1.00 10.00 O ATOM 0 H GLU A 5 20.663 -20.047 -12.666 1.00 10.00 H new ATOM 0 HA GLU A 5 20.222 -17.515 -11.367 1.00 10.00 H new ATOM 0 HB2 GLU A 5 20.044 -18.467 -14.248 1.00 10.00 H new ATOM 0 HB3 GLU A 5 20.007 -16.795 -13.726 1.00 10.00 H new ATOM 0 HG2 GLU A 5 22.282 -17.006 -12.761 1.00 10.00 H new ATOM 0 HG3 GLU A 5 22.320 -18.713 -13.157 1.00 10.00 H new ATOM 75 N ILE A 6 17.757 -18.163 -10.857 1.00 10.00 N ATOM 76 CA ILE A 6 16.318 -18.157 -10.614 1.00 10.00 C ATOM 77 C ILE A 6 15.692 -16.805 -10.988 1.00 10.00 C ATOM 78 O ILE A 6 15.119 -16.121 -10.147 1.00 10.00 O ATOM 79 CB ILE A 6 16.024 -18.574 -9.156 1.00 10.00 C ATOM 80 CG1 ILE A 6 16.861 -17.775 -8.136 1.00 10.00 C ATOM 81 CG2 ILE A 6 16.267 -20.081 -8.994 1.00 10.00 C ATOM 82 CD1 ILE A 6 16.270 -17.832 -6.725 1.00 10.00 C ATOM 0 H ILE A 6 18.306 -18.128 -9.998 1.00 10.00 H new ATOM 0 HA ILE A 6 15.846 -18.894 -11.263 1.00 10.00 H new ATOM 0 HB ILE A 6 14.978 -18.347 -8.948 1.00 10.00 H new ATOM 0 HG12 ILE A 6 17.878 -18.167 -8.117 1.00 10.00 H new ATOM 0 HG13 ILE A 6 16.926 -16.736 -8.458 1.00 10.00 H new ATOM 0 HG21 ILE A 6 16.059 -20.374 -7.965 1.00 10.00 H new ATOM 0 HG22 ILE A 6 15.609 -20.630 -9.668 1.00 10.00 H new ATOM 0 HG23 ILE A 6 17.305 -20.310 -9.234 1.00 10.00 H new ATOM 0 HD11 ILE A 6 16.896 -17.254 -6.045 1.00 10.00 H new ATOM 0 HD12 ILE A 6 15.263 -17.414 -6.735 1.00 10.00 H new ATOM 0 HD13 ILE A 6 16.230 -18.868 -6.389 1.00 10.00 H new ATOM 94 N ARG A 7 15.777 -16.427 -12.269 1.00 10.00 N ATOM 95 CA ARG A 7 15.211 -15.182 -12.789 1.00 10.00 C ATOM 96 C ARG A 7 13.719 -15.073 -12.490 1.00 10.00 C ATOM 97 O ARG A 7 13.202 -13.994 -12.200 1.00 10.00 O ATOM 98 CB ARG A 7 15.452 -15.090 -14.302 1.00 10.00 C ATOM 99 CG ARG A 7 16.918 -14.790 -14.649 1.00 10.00 C ATOM 100 CD ARG A 7 17.354 -15.594 -15.879 1.00 10.00 C ATOM 101 NE ARG A 7 17.478 -17.008 -15.517 1.00 10.00 N ATOM 102 CZ ARG A 7 17.679 -18.043 -16.337 1.00 10.00 C ATOM 103 NH1 ARG A 7 17.699 -17.883 -17.663 1.00 10.00 N ATOM 104 NH2 ARG A 7 17.879 -19.244 -15.790 1.00 10.00 N ATOM 0 H ARG A 7 16.247 -16.986 -12.981 1.00 10.00 H new ATOM 0 HA ARG A 7 15.711 -14.353 -12.288 1.00 10.00 H new ATOM 0 HB2 ARG A 7 15.156 -16.028 -14.771 1.00 10.00 H new ATOM 0 HB3 ARG A 7 14.816 -14.310 -14.721 1.00 10.00 H new ATOM 0 HG2 ARG A 7 17.042 -13.724 -14.841 1.00 10.00 H new ATOM 0 HG3 ARG A 7 17.556 -15.037 -13.801 1.00 10.00 H new ATOM 0 HD2 ARG A 7 16.626 -15.475 -16.682 1.00 10.00 H new ATOM 0 HD3 ARG A 7 18.306 -15.218 -16.254 1.00 10.00 H new ATOM 0 HE ARG A 7 17.402 -17.228 -14.524 1.00 10.00 H new ATOM 0 HH11 ARG A 7 17.559 -16.957 -18.067 1.00 10.00 H new ATOM 0 HH12 ARG A 7 17.854 -18.687 -18.271 1.00 10.00 H new ATOM 0 HH21 ARG A 7 17.875 -19.349 -14.775 1.00 10.00 H new ATOM 0 HH22 ARG A 7 18.036 -20.056 -16.387 1.00 10.00 H new ATOM 118 N ILE A 8 13.047 -16.217 -12.573 1.00 10.00 N ATOM 119 CA ILE A 8 11.621 -16.366 -12.328 1.00 10.00 C ATOM 120 C ILE A 8 11.244 -15.782 -10.956 1.00 10.00 C ATOM 121 O ILE A 8 12.002 -15.972 -10.002 1.00 10.00 O ATOM 122 CB ILE A 8 11.195 -17.841 -12.477 1.00 10.00 C ATOM 123 CG1 ILE A 8 11.934 -18.755 -11.484 1.00 10.00 C ATOM 124 CG2 ILE A 8 11.413 -18.298 -13.928 1.00 10.00 C ATOM 125 CD1 ILE A 8 11.499 -20.220 -11.580 1.00 10.00 C ATOM 0 H ILE A 8 13.499 -17.097 -12.822 1.00 10.00 H new ATOM 0 HA ILE A 8 11.071 -15.798 -13.079 1.00 10.00 H new ATOM 0 HB ILE A 8 10.134 -17.918 -12.238 1.00 10.00 H new ATOM 0 HG12 ILE A 8 13.007 -18.688 -11.666 1.00 10.00 H new ATOM 0 HG13 ILE A 8 11.760 -18.396 -10.470 1.00 10.00 H new ATOM 0 HG21 ILE A 8 11.111 -19.340 -14.030 1.00 10.00 H new ATOM 0 HG22 ILE A 8 10.815 -17.680 -14.598 1.00 10.00 H new ATOM 0 HG23 ILE A 8 12.467 -18.198 -14.186 1.00 10.00 H new ATOM 0 HD11 ILE A 8 12.056 -20.813 -10.855 1.00 10.00 H new ATOM 0 HD12 ILE A 8 10.432 -20.297 -11.369 1.00 10.00 H new ATOM 0 HD13 ILE A 8 11.698 -20.594 -12.584 1.00 10.00 H new ATOM 137 N PRO A 9 10.102 -15.075 -10.845 1.00 10.00 N ATOM 138 CA PRO A 9 9.646 -14.443 -9.612 1.00 10.00 C ATOM 139 C PRO A 9 9.354 -15.506 -8.552 1.00 10.00 C ATOM 140 O PRO A 9 8.233 -15.986 -8.400 1.00 10.00 O ATOM 141 CB PRO A 9 8.415 -13.617 -9.998 1.00 10.00 C ATOM 142 CG PRO A 9 7.878 -14.331 -11.235 1.00 10.00 C ATOM 143 CD PRO A 9 9.152 -14.822 -11.918 1.00 10.00 C ATOM 0 HA PRO A 9 10.399 -13.793 -9.166 1.00 10.00 H new ATOM 0 HB2 PRO A 9 7.678 -13.597 -9.195 1.00 10.00 H new ATOM 0 HB3 PRO A 9 8.679 -12.582 -10.215 1.00 10.00 H new ATOM 0 HG2 PRO A 9 7.216 -15.156 -10.971 1.00 10.00 H new ATOM 0 HG3 PRO A 9 7.308 -13.658 -11.876 1.00 10.00 H new ATOM 0 HD2 PRO A 9 8.963 -15.727 -12.495 1.00 10.00 H new ATOM 0 HD3 PRO A 9 9.536 -14.075 -12.613 1.00 10.00 H new ATOM 151 N THR A 10 10.412 -15.903 -7.855 1.00 10.00 N ATOM 152 CA THR A 10 10.445 -16.966 -6.877 1.00 10.00 C ATOM 153 C THR A 10 9.488 -16.704 -5.713 1.00 10.00 C ATOM 154 O THR A 10 9.456 -15.600 -5.173 1.00 10.00 O ATOM 155 CB THR A 10 11.903 -17.102 -6.407 1.00 10.00 C ATOM 156 OG1 THR A 10 12.801 -16.581 -7.380 1.00 10.00 O ATOM 157 CG2 THR A 10 12.255 -18.564 -6.122 1.00 10.00 C ATOM 0 H THR A 10 11.323 -15.459 -7.970 1.00 10.00 H new ATOM 0 HA THR A 10 10.103 -17.900 -7.322 1.00 10.00 H new ATOM 0 HB THR A 10 12.003 -16.528 -5.486 1.00 10.00 H new ATOM 0 HG1 THR A 10 13.301 -17.317 -7.791 1.00 10.00 H new ATOM 0 HG21 THR A 10 13.292 -18.631 -5.791 1.00 10.00 H new ATOM 0 HG22 THR A 10 11.600 -18.951 -5.342 1.00 10.00 H new ATOM 0 HG23 THR A 10 12.125 -19.153 -7.030 1.00 10.00 H new ATOM 165 N LEU A 11 8.723 -17.720 -5.305 1.00 10.00 N ATOM 166 CA LEU A 11 7.817 -17.613 -4.172 1.00 10.00 C ATOM 167 C LEU A 11 8.595 -17.974 -2.907 1.00 10.00 C ATOM 168 O LEU A 11 9.216 -19.034 -2.854 1.00 10.00 O ATOM 169 CB LEU A 11 6.606 -18.533 -4.360 1.00 10.00 C ATOM 170 CG LEU A 11 5.812 -18.258 -5.647 1.00 10.00 C ATOM 171 CD1 LEU A 11 4.530 -19.092 -5.628 1.00 10.00 C ATOM 172 CD2 LEU A 11 5.443 -16.779 -5.808 1.00 10.00 C ATOM 0 H LEU A 11 8.718 -18.636 -5.754 1.00 10.00 H new ATOM 0 HA LEU A 11 7.435 -16.595 -4.089 1.00 10.00 H new ATOM 0 HB2 LEU A 11 6.946 -19.569 -4.368 1.00 10.00 H new ATOM 0 HB3 LEU A 11 5.941 -18.423 -3.503 1.00 10.00 H new ATOM 0 HG LEU A 11 6.448 -18.530 -6.489 1.00 10.00 H new ATOM 0 HD11 LEU A 11 3.960 -18.903 -6.538 1.00 10.00 H new ATOM 0 HD12 LEU A 11 4.785 -20.150 -5.573 1.00 10.00 H new ATOM 0 HD13 LEU A 11 3.930 -18.817 -4.760 1.00 10.00 H new ATOM 0 HD21 LEU A 11 4.884 -16.642 -6.733 1.00 10.00 H new ATOM 0 HD22 LEU A 11 4.831 -16.463 -4.964 1.00 10.00 H new ATOM 0 HD23 LEU A 11 6.352 -16.179 -5.842 1.00 10.00 H new ATOM 184 N GLU A 12 8.578 -17.090 -1.907 1.00 10.00 N ATOM 185 CA GLU A 12 9.292 -17.255 -0.648 1.00 10.00 C ATOM 186 C GLU A 12 8.275 -17.428 0.481 1.00 10.00 C ATOM 187 O GLU A 12 7.395 -16.582 0.646 1.00 10.00 O ATOM 188 CB GLU A 12 10.187 -16.032 -0.412 1.00 10.00 C ATOM 189 CG GLU A 12 11.152 -15.792 -1.583 1.00 10.00 C ATOM 190 CD GLU A 12 12.043 -14.581 -1.326 1.00 10.00 C ATOM 191 OE1 GLU A 12 13.009 -14.744 -0.550 1.00 10.00 O ATOM 192 OE2 GLU A 12 11.738 -13.515 -1.903 1.00 10.00 O ATOM 0 H GLU A 12 8.052 -16.218 -1.956 1.00 10.00 H new ATOM 0 HA GLU A 12 9.927 -18.141 -0.679 1.00 10.00 H new ATOM 0 HB2 GLU A 12 9.564 -15.149 -0.268 1.00 10.00 H new ATOM 0 HB3 GLU A 12 10.758 -16.172 0.506 1.00 10.00 H new ATOM 0 HG2 GLU A 12 11.771 -16.676 -1.734 1.00 10.00 H new ATOM 0 HG3 GLU A 12 10.584 -15.640 -2.501 1.00 10.00 H new ATOM 199 N GLU A 13 8.389 -18.525 1.241 1.00 10.00 N ATOM 200 CA GLU A 13 7.493 -18.856 2.345 1.00 10.00 C ATOM 201 C GLU A 13 7.386 -17.683 3.321 1.00 10.00 C ATOM 202 O GLU A 13 8.397 -17.205 3.835 1.00 10.00 O ATOM 203 CB GLU A 13 8.005 -20.112 3.068 1.00 10.00 C ATOM 204 CG GLU A 13 6.973 -20.713 4.039 1.00 10.00 C ATOM 205 CD GLU A 13 5.973 -21.618 3.319 1.00 10.00 C ATOM 206 OE1 GLU A 13 5.143 -21.074 2.558 1.00 10.00 O ATOM 207 OE2 GLU A 13 6.054 -22.844 3.542 1.00 10.00 O ATOM 0 H GLU A 13 9.123 -19.218 1.099 1.00 10.00 H new ATOM 0 HA GLU A 13 6.499 -19.056 1.946 1.00 10.00 H new ATOM 0 HB2 GLU A 13 8.279 -20.864 2.328 1.00 10.00 H new ATOM 0 HB3 GLU A 13 8.911 -19.862 3.619 1.00 10.00 H new ATOM 0 HG2 GLU A 13 7.490 -21.284 4.810 1.00 10.00 H new ATOM 0 HG3 GLU A 13 6.437 -19.909 4.543 1.00 10.00 H new ATOM 214 N CYS A 14 6.164 -17.225 3.597 1.00 10.00 N ATOM 215 CA CYS A 14 5.959 -16.116 4.506 1.00 10.00 C ATOM 216 C CYS A 14 6.011 -16.617 5.950 1.00 10.00 C ATOM 217 O CYS A 14 4.987 -16.970 6.544 1.00 10.00 O ATOM 218 CB CYS A 14 4.645 -15.412 4.184 1.00 10.00 C ATOM 219 SG CYS A 14 4.446 -13.823 5.027 1.00 10.00 S ATOM 0 H CYS A 14 5.307 -17.610 3.200 1.00 10.00 H new ATOM 0 HA CYS A 14 6.756 -15.382 4.383 1.00 10.00 H new ATOM 0 HB2 CYS A 14 4.583 -15.253 3.108 1.00 10.00 H new ATOM 0 HB3 CYS A 14 3.816 -16.065 4.458 1.00 10.00 H new ATOM 224 N ASP A 15 7.219 -16.628 6.517 1.00 10.00 N ATOM 225 CA ASP A 15 7.480 -17.014 7.901 1.00 10.00 C ATOM 226 C ASP A 15 6.533 -16.286 8.863 1.00 10.00 C ATOM 227 O ASP A 15 6.048 -16.880 9.821 1.00 10.00 O ATOM 228 CB ASP A 15 8.950 -16.748 8.262 1.00 10.00 C ATOM 229 CG ASP A 15 9.277 -15.258 8.355 1.00 10.00 C ATOM 230 OD1 ASP A 15 9.025 -14.557 7.350 1.00 10.00 O ATOM 231 OD2 ASP A 15 9.749 -14.843 9.435 1.00 10.00 O ATOM 0 H ASP A 15 8.064 -16.361 6.011 1.00 10.00 H new ATOM 0 HA ASP A 15 7.292 -18.083 8.001 1.00 10.00 H new ATOM 0 HB2 ASP A 15 9.177 -17.225 9.215 1.00 10.00 H new ATOM 0 HB3 ASP A 15 9.593 -17.210 7.513 1.00 10.00 H new ATOM 236 N VAL A 16 6.243 -15.013 8.575 1.00 10.00 N ATOM 237 CA VAL A 16 5.332 -14.159 9.333 1.00 10.00 C ATOM 238 C VAL A 16 3.990 -14.859 9.602 1.00 10.00 C ATOM 239 O VAL A 16 3.432 -14.700 10.684 1.00 10.00 O ATOM 240 CB VAL A 16 5.179 -12.815 8.589 1.00 10.00 C ATOM 241 CG1 VAL A 16 4.208 -11.852 9.273 1.00 10.00 C ATOM 242 CG2 VAL A 16 6.532 -12.101 8.454 1.00 10.00 C ATOM 0 H VAL A 16 6.655 -14.533 7.775 1.00 10.00 H new ATOM 0 HA VAL A 16 5.748 -13.957 10.320 1.00 10.00 H new ATOM 0 HB VAL A 16 4.777 -13.076 7.610 1.00 10.00 H new ATOM 0 HG11 VAL A 16 4.147 -10.928 8.699 1.00 10.00 H new ATOM 0 HG12 VAL A 16 3.220 -12.310 9.329 1.00 10.00 H new ATOM 0 HG13 VAL A 16 4.563 -11.631 10.280 1.00 10.00 H new ATOM 0 HG21 VAL A 16 6.394 -11.157 7.926 1.00 10.00 H new ATOM 0 HG22 VAL A 16 6.941 -11.906 9.445 1.00 10.00 H new ATOM 0 HG23 VAL A 16 7.222 -12.732 7.895 1.00 10.00 H new ATOM 252 N CYS A 17 3.487 -15.658 8.652 1.00 10.00 N ATOM 253 CA CYS A 17 2.253 -16.426 8.825 1.00 10.00 C ATOM 254 C CYS A 17 2.532 -17.928 8.742 1.00 10.00 C ATOM 255 O CYS A 17 1.643 -18.707 8.399 1.00 10.00 O ATOM 256 CB CYS A 17 1.225 -16.000 7.784 1.00 10.00 C ATOM 257 SG CYS A 17 1.737 -16.166 6.072 1.00 10.00 S ATOM 0 H CYS A 17 3.927 -15.788 7.741 1.00 10.00 H new ATOM 0 HA CYS A 17 1.847 -16.221 9.815 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.320 -16.589 7.932 1.00 10.00 H new ATOM 0 HB3 CYS A 17 0.961 -14.958 7.966 1.00 10.00 H new ATOM 262 N HIS A 18 3.773 -18.336 9.025 1.00 10.00 N ATOM 263 CA HIS A 18 4.239 -19.715 9.000 1.00 10.00 C ATOM 264 C HIS A 18 3.775 -20.441 7.734 1.00 10.00 C ATOM 265 O HIS A 18 3.341 -21.593 7.779 1.00 10.00 O ATOM 266 CB HIS A 18 3.884 -20.426 10.317 1.00 10.00 C ATOM 267 CG HIS A 18 2.408 -20.620 10.569 1.00 10.00 C ATOM 268 ND1 HIS A 18 1.594 -21.491 9.887 1.00 10.00 N ATOM 269 CD2 HIS A 18 1.638 -19.977 11.502 1.00 10.00 C ATOM 270 CE1 HIS A 18 0.359 -21.386 10.410 1.00 10.00 C ATOM 271 NE2 HIS A 18 0.334 -20.472 11.394 1.00 10.00 N ATOM 0 H HIS A 18 4.508 -17.680 9.289 1.00 10.00 H new ATOM 0 HA HIS A 18 5.327 -19.729 8.941 1.00 10.00 H new ATOM 0 HB2 HIS A 18 4.368 -21.402 10.325 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.305 -19.854 11.144 1.00 10.00 H new ATOM 0 HD1 HIS A 18 1.875 -22.106 9.123 1.00 10.00 H new ATOM 0 HD2 HIS A 18 1.977 -19.223 12.197 1.00 10.00 H new ATOM 0 HE1 HIS A 18 -0.496 -21.959 10.083 1.00 10.00 H new ATOM 279 N GLY A 19 3.858 -19.751 6.593 1.00 10.00 N ATOM 280 CA GLY A 19 3.486 -20.318 5.308 1.00 10.00 C ATOM 281 C GLY A 19 1.983 -20.496 5.072 1.00 10.00 C ATOM 282 O GLY A 19 1.600 -20.907 3.977 1.00 10.00 O ATOM 0 H GLY A 19 4.185 -18.786 6.541 1.00 10.00 H new ATOM 0 HA2 GLY A 19 3.886 -19.680 4.520 1.00 10.00 H new ATOM 0 HA3 GLY A 19 3.969 -21.290 5.207 1.00 10.00 H new ATOM 286 N SER A 20 1.111 -20.207 6.047 1.00 10.00 N ATOM 287 CA SER A 20 -0.320 -20.403 5.846 1.00 10.00 C ATOM 288 C SER A 20 -0.894 -19.267 5.008 1.00 10.00 C ATOM 289 O SER A 20 -1.348 -19.457 3.884 1.00 10.00 O ATOM 290 CB SER A 20 -1.058 -20.516 7.189 1.00 10.00 C ATOM 291 OG SER A 20 -0.942 -19.347 7.992 1.00 10.00 O ATOM 0 H SER A 20 1.370 -19.844 6.964 1.00 10.00 H new ATOM 0 HA SER A 20 -0.465 -21.340 5.309 1.00 10.00 H new ATOM 0 HB2 SER A 20 -2.113 -20.717 7.001 1.00 10.00 H new ATOM 0 HB3 SER A 20 -0.665 -21.369 7.742 1.00 10.00 H new ATOM 0 HG SER A 20 0.005 -19.144 8.140 1.00 10.00 H new ATOM 297 N GLY A 21 -0.893 -18.089 5.623 1.00 10.00 N ATOM 298 CA GLY A 21 -1.459 -16.860 5.114 1.00 10.00 C ATOM 299 C GLY A 21 -2.230 -16.128 6.216 1.00 10.00 C ATOM 300 O GLY A 21 -2.729 -15.039 5.960 1.00 10.00 O ATOM 0 H GLY A 21 -0.471 -17.967 6.543 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -0.666 -16.219 4.730 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -2.125 -17.078 4.279 1.00 10.00 H new ATOM 304 N ALA A 22 -2.361 -16.687 7.427 1.00 10.00 N ATOM 305 CA ALA A 22 -3.097 -16.015 8.493 1.00 10.00 C ATOM 306 C ALA A 22 -2.198 -15.034 9.254 1.00 10.00 C ATOM 307 O ALA A 22 -1.032 -15.329 9.501 1.00 10.00 O ATOM 308 CB ALA A 22 -3.711 -17.042 9.437 1.00 10.00 C ATOM 0 H ALA A 22 -1.970 -17.593 7.686 1.00 10.00 H new ATOM 0 HA ALA A 22 -3.903 -15.436 8.042 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -4.257 -16.528 10.228 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -4.395 -17.684 8.881 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.921 -17.649 9.878 1.00 10.00 H new ATOM 314 N LYS A 23 -2.728 -13.864 9.617 1.00 10.00 N ATOM 315 CA LYS A 23 -2.001 -12.827 10.350 1.00 10.00 C ATOM 316 C LYS A 23 -1.260 -13.409 11.576 1.00 10.00 C ATOM 317 O LYS A 23 -1.825 -14.262 12.260 1.00 10.00 O ATOM 318 CB LYS A 23 -3.022 -11.762 10.782 1.00 10.00 C ATOM 319 CG LYS A 23 -2.434 -10.562 11.538 1.00 10.00 C ATOM 320 CD LYS A 23 -3.564 -9.703 12.115 1.00 10.00 C ATOM 321 CE LYS A 23 -2.997 -8.490 12.859 1.00 10.00 C ATOM 322 NZ LYS A 23 -4.076 -7.673 13.441 1.00 10.00 N ATOM 0 H LYS A 23 -3.692 -13.607 9.406 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.237 -12.388 9.708 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -3.538 -11.395 9.895 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.773 -12.237 11.414 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -1.784 -10.910 12.341 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.818 -9.964 10.866 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -4.220 -9.369 11.311 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.171 -10.301 12.794 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.324 -8.825 13.648 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.406 -7.883 12.173 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.664 -6.858 13.939 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -4.703 -7.335 12.683 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -4.624 -8.248 14.112 1.00 10.00 H new ATOM 336 N PRO A 24 -0.027 -12.949 11.881 1.00 10.00 N ATOM 337 CA PRO A 24 0.767 -13.369 13.035 1.00 10.00 C ATOM 338 C PRO A 24 -0.061 -13.640 14.293 1.00 10.00 C ATOM 339 O PRO A 24 -0.935 -12.841 14.641 1.00 10.00 O ATOM 340 CB PRO A 24 1.727 -12.210 13.295 1.00 10.00 C ATOM 341 CG PRO A 24 2.044 -11.756 11.879 1.00 10.00 C ATOM 342 CD PRO A 24 0.721 -11.946 11.134 1.00 10.00 C ATOM 0 HA PRO A 24 1.262 -14.314 12.814 1.00 10.00 H new ATOM 0 HB2 PRO A 24 1.265 -11.419 13.886 1.00 10.00 H new ATOM 0 HB3 PRO A 24 2.620 -12.529 13.833 1.00 10.00 H new ATOM 0 HG2 PRO A 24 2.371 -10.717 11.855 1.00 10.00 H new ATOM 0 HG3 PRO A 24 2.842 -12.352 11.436 1.00 10.00 H new ATOM 0 HD2 PRO A 24 0.167 -11.009 11.079 1.00 10.00 H new ATOM 0 HD3 PRO A 24 0.895 -12.274 10.109 1.00 10.00 H new ATOM 350 N GLY A 25 0.197 -14.767 14.968 1.00 10.00 N ATOM 351 CA GLY A 25 -0.498 -15.172 16.189 1.00 10.00 C ATOM 352 C GLY A 25 -1.913 -15.687 15.913 1.00 10.00 C ATOM 353 O GLY A 25 -2.326 -16.721 16.436 1.00 10.00 O ATOM 0 H GLY A 25 0.910 -15.434 14.672 1.00 10.00 H new ATOM 0 HA2 GLY A 25 0.078 -15.950 16.690 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -0.550 -14.324 16.872 1.00 10.00 H new ATOM 357 N THR A 26 -2.652 -14.958 15.081 1.00 10.00 N ATOM 358 CA THR A 26 -4.011 -15.215 14.652 1.00 10.00 C ATOM 359 C THR A 26 -4.001 -16.415 13.695 1.00 10.00 C ATOM 360 O THR A 26 -4.210 -16.279 12.493 1.00 10.00 O ATOM 361 CB THR A 26 -4.548 -13.916 14.014 1.00 10.00 C ATOM 362 OG1 THR A 26 -4.031 -12.771 14.679 1.00 10.00 O ATOM 363 CG2 THR A 26 -6.072 -13.852 14.101 1.00 10.00 C ATOM 0 H THR A 26 -2.280 -14.107 14.660 1.00 10.00 H new ATOM 0 HA THR A 26 -4.675 -15.479 15.475 1.00 10.00 H new ATOM 0 HB THR A 26 -4.230 -13.923 12.971 1.00 10.00 H new ATOM 0 HG1 THR A 26 -4.384 -11.960 14.256 1.00 10.00 H new ATOM 0 HG21 THR A 26 -6.424 -12.927 13.644 1.00 10.00 H new ATOM 0 HG22 THR A 26 -6.503 -14.704 13.574 1.00 10.00 H new ATOM 0 HG23 THR A 26 -6.378 -13.880 15.147 1.00 10.00 H new ATOM 371 N GLN A 27 -3.713 -17.597 14.243 1.00 10.00 N ATOM 372 CA GLN A 27 -3.540 -18.828 13.487 1.00 10.00 C ATOM 373 C GLN A 27 -4.769 -19.166 12.628 1.00 10.00 C ATOM 374 O GLN A 27 -5.896 -18.789 12.962 1.00 10.00 O ATOM 375 CB GLN A 27 -3.135 -19.969 14.444 1.00 10.00 C ATOM 376 CG GLN A 27 -3.946 -20.101 15.747 1.00 10.00 C ATOM 377 CD GLN A 27 -5.431 -20.380 15.539 1.00 10.00 C ATOM 378 OE1 GLN A 27 -6.289 -19.699 16.096 1.00 10.00 O ATOM 379 NE2 GLN A 27 -5.767 -21.379 14.732 1.00 10.00 N ATOM 0 H GLN A 27 -3.592 -17.722 15.248 1.00 10.00 H new ATOM 0 HA GLN A 27 -2.731 -18.688 12.770 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -3.209 -20.911 13.901 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -2.086 -19.835 14.708 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -3.518 -20.904 16.347 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -3.839 -19.181 16.322 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -5.042 -21.934 14.278 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -6.751 -21.592 14.566 1.00 10.00 H new ATOM 388 N PRO A 28 -4.573 -19.874 11.503 1.00 10.00 N ATOM 389 CA PRO A 28 -5.676 -20.232 10.639 1.00 10.00 C ATOM 390 C PRO A 28 -6.519 -21.295 11.334 1.00 10.00 C ATOM 391 O PRO A 28 -5.993 -22.134 12.065 1.00 10.00 O ATOM 392 CB PRO A 28 -5.049 -20.783 9.366 1.00 10.00 C ATOM 393 CG PRO A 28 -3.735 -21.383 9.870 1.00 10.00 C ATOM 394 CD PRO A 28 -3.323 -20.411 10.979 1.00 10.00 C ATOM 0 HA PRO A 28 -6.324 -19.385 10.413 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -5.683 -21.534 8.895 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -4.879 -20.000 8.627 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -3.872 -22.396 10.250 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -2.986 -21.437 9.080 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -2.756 -20.921 11.758 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -2.686 -19.617 10.590 1.00 10.00 H new ATOM 402 N GLN A 29 -7.829 -21.273 11.095 1.00 10.00 N ATOM 403 CA GLN A 29 -8.723 -22.224 11.735 1.00 10.00 C ATOM 404 C GLN A 29 -8.726 -23.541 10.960 1.00 10.00 C ATOM 405 O GLN A 29 -8.694 -23.541 9.732 1.00 10.00 O ATOM 406 CB GLN A 29 -10.125 -21.623 11.868 1.00 10.00 C ATOM 407 CG GLN A 29 -10.116 -20.248 12.554 1.00 10.00 C ATOM 408 CD GLN A 29 -9.493 -20.269 13.949 1.00 10.00 C ATOM 409 OE1 GLN A 29 -10.117 -20.738 14.894 1.00 10.00 O ATOM 410 NE2 GLN A 29 -8.267 -19.771 14.107 1.00 10.00 N ATOM 0 H GLN A 29 -8.288 -20.612 10.468 1.00 10.00 H new ATOM 0 HA GLN A 29 -8.369 -22.440 12.743 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -10.571 -21.528 10.878 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -10.756 -22.305 12.438 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -9.567 -19.543 11.930 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -11.139 -19.880 12.627 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -7.766 -19.386 13.306 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -7.830 -19.775 15.028 1.00 10.00 H new ATOM 419 N THR A 30 -8.752 -24.668 11.668 1.00 10.00 N ATOM 420 CA THR A 30 -8.773 -25.991 11.070 1.00 10.00 C ATOM 421 C THR A 30 -9.987 -26.122 10.148 1.00 10.00 C ATOM 422 O THR A 30 -11.109 -25.936 10.612 1.00 10.00 O ATOM 423 CB THR A 30 -8.877 -27.003 12.218 1.00 10.00 C ATOM 424 OG1 THR A 30 -8.024 -26.598 13.273 1.00 10.00 O ATOM 425 CG2 THR A 30 -8.495 -28.406 11.752 1.00 10.00 C ATOM 0 H THR A 30 -8.759 -24.683 12.688 1.00 10.00 H new ATOM 0 HA THR A 30 -7.875 -26.167 10.478 1.00 10.00 H new ATOM 0 HB THR A 30 -9.910 -27.033 12.564 1.00 10.00 H new ATOM 0 HG1 THR A 30 -8.088 -27.240 14.010 1.00 10.00 H new ATOM 0 HG21 THR A 30 -8.578 -29.102 12.587 1.00 10.00 H new ATOM 0 HG22 THR A 30 -9.165 -28.718 10.951 1.00 10.00 H new ATOM 0 HG23 THR A 30 -7.469 -28.401 11.385 1.00 10.00 H new ATOM 433 N CYS A 31 -9.801 -26.448 8.865 1.00 10.00 N ATOM 434 CA CYS A 31 -10.946 -26.616 7.982 1.00 10.00 C ATOM 435 C CYS A 31 -11.736 -27.855 8.420 1.00 10.00 C ATOM 436 O CYS A 31 -11.195 -28.956 8.337 1.00 10.00 O ATOM 437 CB CYS A 31 -10.483 -26.793 6.539 1.00 10.00 C ATOM 438 SG CYS A 31 -11.876 -26.908 5.390 1.00 10.00 S ATOM 0 H CYS A 31 -8.891 -26.596 8.429 1.00 10.00 H new ATOM 0 HA CYS A 31 -11.577 -25.729 8.041 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -9.848 -25.953 6.256 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -9.874 -27.693 6.462 1.00 10.00 H new ATOM 443 N PRO A 32 -12.995 -27.738 8.867 1.00 10.00 N ATOM 444 CA PRO A 32 -13.745 -28.899 9.312 1.00 10.00 C ATOM 445 C PRO A 32 -14.073 -29.818 8.133 1.00 10.00 C ATOM 446 O PRO A 32 -14.013 -31.040 8.265 1.00 10.00 O ATOM 447 CB PRO A 32 -14.987 -28.331 10.002 1.00 10.00 C ATOM 448 CG PRO A 32 -15.216 -26.996 9.292 1.00 10.00 C ATOM 449 CD PRO A 32 -13.793 -26.524 8.985 1.00 10.00 C ATOM 0 HA PRO A 32 -13.183 -29.528 10.002 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -15.845 -28.995 9.893 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -14.824 -28.194 11.071 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -15.806 -27.117 8.384 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -15.749 -26.287 9.926 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -13.763 -25.944 8.063 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -13.413 -25.881 9.779 1.00 10.00 H new ATOM 457 N THR A 33 -14.395 -29.226 6.978 1.00 10.00 N ATOM 458 CA THR A 33 -14.760 -29.894 5.738 1.00 10.00 C ATOM 459 C THR A 33 -13.820 -31.053 5.378 1.00 10.00 C ATOM 460 O THR A 33 -14.284 -32.099 4.933 1.00 10.00 O ATOM 461 CB THR A 33 -14.816 -28.829 4.631 1.00 10.00 C ATOM 462 OG1 THR A 33 -15.206 -27.581 5.187 1.00 10.00 O ATOM 463 CG2 THR A 33 -15.801 -29.208 3.524 1.00 10.00 C ATOM 0 H THR A 33 -14.407 -28.210 6.885 1.00 10.00 H new ATOM 0 HA THR A 33 -15.737 -30.363 5.859 1.00 10.00 H new ATOM 0 HB THR A 33 -13.820 -28.759 4.193 1.00 10.00 H new ATOM 0 HG1 THR A 33 -14.775 -26.853 4.692 1.00 10.00 H new ATOM 0 HG21 THR A 33 -15.810 -28.429 2.762 1.00 10.00 H new ATOM 0 HG22 THR A 33 -15.496 -30.153 3.073 1.00 10.00 H new ATOM 0 HG23 THR A 33 -16.800 -29.313 3.947 1.00 10.00 H new ATOM 471 N CYS A 34 -12.509 -30.876 5.588 1.00 10.00 N ATOM 472 CA CYS A 34 -11.501 -31.910 5.358 1.00 10.00 C ATOM 473 C CYS A 34 -10.729 -32.206 6.647 1.00 10.00 C ATOM 474 O CYS A 34 -9.576 -32.629 6.608 1.00 10.00 O ATOM 475 CB CYS A 34 -10.557 -31.507 4.223 1.00 10.00 C ATOM 476 SG CYS A 34 -9.763 -29.902 4.438 1.00 10.00 S ATOM 0 H CYS A 34 -12.117 -29.997 5.927 1.00 10.00 H new ATOM 0 HA CYS A 34 -12.009 -32.825 5.055 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -9.784 -32.269 4.123 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -11.118 -31.498 3.288 1.00 10.00 H new ATOM 481 N HIS A 35 -11.367 -31.994 7.798 1.00 10.00 N ATOM 482 CA HIS A 35 -10.825 -32.299 9.116 1.00 10.00 C ATOM 483 C HIS A 35 -9.369 -31.835 9.283 1.00 10.00 C ATOM 484 O HIS A 35 -8.541 -32.543 9.851 1.00 10.00 O ATOM 485 CB HIS A 35 -10.994 -33.806 9.385 1.00 10.00 C ATOM 486 CG HIS A 35 -12.301 -34.405 8.907 1.00 10.00 C ATOM 487 ND1 HIS A 35 -13.502 -33.745 8.729 1.00 10.00 N ATOM 488 CD2 HIS A 35 -12.455 -35.668 8.401 1.00 10.00 C ATOM 489 CE1 HIS A 35 -14.349 -34.597 8.129 1.00 10.00 C ATOM 490 NE2 HIS A 35 -13.758 -35.783 7.907 1.00 10.00 N ATOM 0 H HIS A 35 -12.304 -31.593 7.837 1.00 10.00 H new ATOM 0 HA HIS A 35 -11.385 -31.737 9.863 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -10.172 -34.338 8.906 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -10.904 -33.980 10.457 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -13.708 -32.784 9.004 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -11.701 -36.441 8.386 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -15.368 -34.361 7.861 1.00 10.00 H new ATOM 498 N GLY A 36 -9.056 -30.633 8.792 1.00 10.00 N ATOM 499 CA GLY A 36 -7.742 -30.020 8.909 1.00 10.00 C ATOM 500 C GLY A 36 -6.671 -30.531 7.946 1.00 10.00 C ATOM 501 O GLY A 36 -5.568 -29.993 7.963 1.00 10.00 O ATOM 0 H GLY A 36 -9.728 -30.051 8.292 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -7.851 -28.946 8.761 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -7.385 -30.167 9.928 1.00 10.00 H new ATOM 505 N SER A 37 -6.943 -31.550 7.123 1.00 10.00 N ATOM 506 CA SER A 37 -5.915 -32.097 6.239 1.00 10.00 C ATOM 507 C SER A 37 -5.747 -31.261 4.968 1.00 10.00 C ATOM 508 O SER A 37 -4.699 -30.653 4.763 1.00 10.00 O ATOM 509 CB SER A 37 -6.197 -33.570 5.937 1.00 10.00 C ATOM 510 OG SER A 37 -7.489 -33.722 5.390 1.00 10.00 O ATOM 0 H SER A 37 -7.853 -32.005 7.053 1.00 10.00 H new ATOM 0 HA SER A 37 -4.959 -32.045 6.759 1.00 10.00 H new ATOM 0 HB2 SER A 37 -5.453 -33.954 5.239 1.00 10.00 H new ATOM 0 HB3 SER A 37 -6.111 -34.158 6.851 1.00 10.00 H new ATOM 0 HG SER A 37 -8.159 -33.604 6.095 1.00 10.00 H new ATOM 516 N GLY A 38 -6.771 -31.233 4.110 1.00 10.00 N ATOM 517 CA GLY A 38 -6.734 -30.475 2.861 1.00 10.00 C ATOM 518 C GLY A 38 -7.555 -31.055 1.706 1.00 10.00 C ATOM 519 O GLY A 38 -7.662 -30.397 0.672 1.00 10.00 O ATOM 0 H GLY A 38 -7.646 -31.735 4.263 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.087 -29.463 3.061 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -5.696 -30.392 2.539 1.00 10.00 H new ATOM 523 N GLN A 39 -8.144 -32.250 1.835 1.00 10.00 N ATOM 524 CA GLN A 39 -8.905 -32.868 0.750 1.00 10.00 C ATOM 525 C GLN A 39 -10.260 -33.388 1.235 1.00 10.00 C ATOM 526 O GLN A 39 -10.345 -34.074 2.251 1.00 10.00 O ATOM 527 CB GLN A 39 -8.044 -33.908 0.003 1.00 10.00 C ATOM 528 CG GLN A 39 -7.793 -35.252 0.696 1.00 10.00 C ATOM 529 CD GLN A 39 -7.136 -35.116 2.061 1.00 10.00 C ATOM 530 OE1 GLN A 39 -5.917 -35.078 2.183 1.00 10.00 O ATOM 531 NE2 GLN A 39 -7.953 -35.023 3.099 1.00 10.00 N ATOM 0 H GLN A 39 -8.106 -32.809 2.687 1.00 10.00 H new ATOM 0 HA GLN A 39 -9.153 -32.107 0.010 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -8.518 -34.109 -0.958 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -7.076 -33.453 -0.208 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -8.742 -35.777 0.809 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -7.161 -35.869 0.057 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -8.963 -35.059 2.958 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -7.573 -34.916 4.039 1.00 10.00 H new ATOM 540 N VAL A 40 -11.324 -33.082 0.493 1.00 10.00 N ATOM 541 CA VAL A 40 -12.660 -33.577 0.784 1.00 10.00 C ATOM 542 C VAL A 40 -12.700 -35.028 0.341 1.00 10.00 C ATOM 543 O VAL A 40 -12.179 -35.333 -0.729 1.00 10.00 O ATOM 544 CB VAL A 40 -13.736 -32.786 0.020 1.00 10.00 C ATOM 545 CG1 VAL A 40 -14.019 -31.465 0.728 1.00 10.00 C ATOM 546 CG2 VAL A 40 -13.386 -32.531 -1.453 1.00 10.00 C ATOM 0 H VAL A 40 -11.278 -32.481 -0.330 1.00 10.00 H new ATOM 0 HA VAL A 40 -12.868 -33.468 1.848 1.00 10.00 H new ATOM 0 HB VAL A 40 -14.630 -33.410 0.018 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -14.782 -30.914 0.178 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -14.373 -31.663 1.740 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -13.105 -30.873 0.772 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -14.191 -31.969 -1.926 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -12.460 -31.959 -1.513 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -13.258 -33.484 -1.967 1.00 10.00 H new ATOM 556 N GLN A 41 -13.319 -35.905 1.135 1.00 10.00 N ATOM 557 CA GLN A 41 -13.460 -37.310 0.800 1.00 10.00 C ATOM 558 C GLN A 41 -14.944 -37.641 0.686 1.00 10.00 C ATOM 559 O GLN A 41 -15.681 -37.602 1.671 1.00 10.00 O ATOM 560 CB GLN A 41 -12.743 -38.180 1.826 1.00 10.00 C ATOM 561 CG GLN A 41 -12.710 -39.648 1.366 1.00 10.00 C ATOM 562 CD GLN A 41 -12.074 -40.558 2.408 1.00 10.00 C ATOM 563 OE1 GLN A 41 -12.057 -40.243 3.596 1.00 10.00 O ATOM 564 NE2 GLN A 41 -11.559 -41.703 1.973 1.00 10.00 N ATOM 0 H GLN A 41 -13.736 -35.652 2.031 1.00 10.00 H new ATOM 0 HA GLN A 41 -12.990 -37.519 -0.161 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -11.726 -37.816 1.971 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -13.248 -38.107 2.789 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -13.726 -39.986 1.161 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -12.154 -39.723 0.432 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -11.591 -41.932 0.979 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -11.132 -42.353 2.633 1.00 10.00 H new ATOM 573 N MET A 42 -15.376 -37.992 -0.520 1.00 10.00 N ATOM 574 CA MET A 42 -16.743 -38.382 -0.800 1.00 10.00 C ATOM 575 C MET A 42 -16.950 -39.815 -0.319 1.00 10.00 C ATOM 576 O MET A 42 -17.018 -40.744 -1.126 1.00 10.00 O ATOM 577 CB MET A 42 -17.024 -38.222 -2.296 1.00 10.00 C ATOM 578 CG MET A 42 -16.731 -36.784 -2.737 1.00 10.00 C ATOM 579 SD MET A 42 -17.723 -36.169 -4.115 1.00 10.00 S ATOM 580 CE MET A 42 -19.322 -36.030 -3.281 1.00 10.00 C ATOM 0 H MET A 42 -14.771 -38.012 -1.341 1.00 10.00 H new ATOM 0 HA MET A 42 -17.449 -37.743 -0.270 1.00 10.00 H new ATOM 0 HB2 MET A 42 -16.408 -38.918 -2.866 1.00 10.00 H new ATOM 0 HB3 MET A 42 -18.064 -38.470 -2.507 1.00 10.00 H new ATOM 0 HG2 MET A 42 -16.881 -36.124 -1.883 1.00 10.00 H new ATOM 0 HG3 MET A 42 -15.679 -36.715 -3.012 1.00 10.00 H new ATOM 0 HE1 MET A 42 -19.984 -35.393 -3.867 1.00 10.00 H new ATOM 0 HE2 MET A 42 -19.767 -37.020 -3.180 1.00 10.00 H new ATOM 0 HE3 MET A 42 -19.180 -35.593 -2.292 1.00 10.00 H new ATOM 590 N ARG A 43 -17.034 -39.984 1.004 1.00 10.00 N ATOM 591 CA ARG A 43 -17.207 -41.267 1.682 1.00 10.00 C ATOM 592 C ARG A 43 -18.593 -41.876 1.431 1.00 10.00 C ATOM 593 O ARG A 43 -19.367 -42.105 2.359 1.00 10.00 O ATOM 594 CB ARG A 43 -16.903 -41.131 3.184 1.00 10.00 C ATOM 595 CG ARG A 43 -15.407 -40.897 3.433 1.00 10.00 C ATOM 596 CD ARG A 43 -15.044 -41.074 4.911 1.00 10.00 C ATOM 597 NE ARG A 43 -15.467 -39.919 5.711 1.00 10.00 N ATOM 598 CZ ARG A 43 -14.701 -38.858 6.009 1.00 10.00 C ATOM 599 NH1 ARG A 43 -13.472 -38.715 5.496 1.00 10.00 N ATOM 600 NH2 ARG A 43 -15.182 -37.932 6.844 1.00 10.00 N ATOM 0 H ARG A 43 -16.981 -39.200 1.654 1.00 10.00 H new ATOM 0 HA ARG A 43 -16.487 -41.965 1.254 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -17.477 -40.302 3.599 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -17.223 -42.033 3.705 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -14.824 -41.593 2.829 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -15.137 -39.892 3.110 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -15.516 -41.978 5.297 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -13.967 -41.210 5.008 1.00 10.00 H new ATOM 0 HE ARG A 43 -16.422 -39.923 6.070 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -13.098 -39.422 4.863 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -12.910 -37.899 5.738 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -16.115 -38.039 7.242 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -14.616 -37.118 7.084 1.00 10.00 H new ATOM 614 N GLN A 44 -18.894 -42.190 0.171 1.00 10.00 N ATOM 615 CA GLN A 44 -20.139 -42.801 -0.271 1.00 10.00 C ATOM 616 C GLN A 44 -20.135 -44.305 0.029 1.00 10.00 C ATOM 617 O GLN A 44 -20.398 -45.129 -0.846 1.00 10.00 O ATOM 618 CB GLN A 44 -20.343 -42.469 -1.759 1.00 10.00 C ATOM 619 CG GLN A 44 -19.274 -43.084 -2.679 1.00 10.00 C ATOM 620 CD GLN A 44 -18.990 -42.192 -3.884 1.00 10.00 C ATOM 621 OE1 GLN A 44 -19.485 -42.440 -4.977 1.00 10.00 O ATOM 622 NE2 GLN A 44 -18.173 -41.159 -3.701 1.00 10.00 N ATOM 0 H GLN A 44 -18.247 -42.017 -0.599 1.00 10.00 H new ATOM 0 HA GLN A 44 -20.989 -42.396 0.278 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -21.326 -42.823 -2.070 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -20.340 -41.386 -1.885 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -18.354 -43.239 -2.116 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -19.607 -44.064 -3.021 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -17.777 -40.979 -2.778 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -17.942 -40.546 -4.483 1.00 10.00 H new ATOM 631 N GLY A 45 -19.832 -44.670 1.276 1.00 10.00 N ATOM 632 CA GLY A 45 -19.785 -46.047 1.740 1.00 10.00 C ATOM 633 C GLY A 45 -18.606 -46.840 1.168 1.00 10.00 C ATOM 634 O GLY A 45 -17.730 -47.260 1.917 1.00 10.00 O ATOM 0 H GLY A 45 -19.607 -43.994 2.006 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -19.725 -46.054 2.828 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -20.715 -46.546 1.469 1.00 10.00 H new ATOM 638 N PHE A 46 -18.604 -47.071 -0.149 1.00 10.00 N ATOM 639 CA PHE A 46 -17.613 -47.879 -0.852 1.00 10.00 C ATOM 640 C PHE A 46 -16.563 -47.017 -1.560 1.00 10.00 C ATOM 641 O PHE A 46 -15.403 -47.011 -1.151 1.00 10.00 O ATOM 642 CB PHE A 46 -18.313 -48.882 -1.789 1.00 10.00 C ATOM 643 CG PHE A 46 -19.480 -48.343 -2.602 1.00 10.00 C ATOM 644 CD1 PHE A 46 -20.742 -48.174 -1.998 1.00 10.00 C ATOM 645 CD2 PHE A 46 -19.330 -48.073 -3.974 1.00 10.00 C ATOM 646 CE1 PHE A 46 -21.807 -47.620 -2.727 1.00 10.00 C ATOM 647 CE2 PHE A 46 -20.404 -47.544 -4.711 1.00 10.00 C ATOM 648 CZ PHE A 46 -21.634 -47.293 -4.082 1.00 10.00 C ATOM 0 H PHE A 46 -19.316 -46.687 -0.771 1.00 10.00 H new ATOM 0 HA PHE A 46 -17.054 -48.460 -0.118 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -17.570 -49.281 -2.480 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -18.671 -49.718 -1.189 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -20.891 -48.472 -0.971 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -18.388 -48.272 -4.463 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -22.758 -47.446 -2.246 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -20.283 -47.330 -5.763 1.00 10.00 H new ATOM 0 HZ PHE A 46 -22.446 -46.849 -4.639 1.00 10.00 H new ATOM 658 N PHE A 47 -16.933 -46.300 -2.625 1.00 10.00 N ATOM 659 CA PHE A 47 -15.984 -45.482 -3.380 1.00 10.00 C ATOM 660 C PHE A 47 -15.619 -44.208 -2.614 1.00 10.00 C ATOM 661 O PHE A 47 -15.982 -43.110 -3.026 1.00 10.00 O ATOM 662 CB PHE A 47 -16.540 -45.140 -4.773 1.00 10.00 C ATOM 663 CG PHE A 47 -16.860 -46.300 -5.701 1.00 10.00 C ATOM 664 CD1 PHE A 47 -16.083 -47.477 -5.702 1.00 10.00 C ATOM 665 CD2 PHE A 47 -17.876 -46.142 -6.662 1.00 10.00 C ATOM 666 CE1 PHE A 47 -16.371 -48.512 -6.608 1.00 10.00 C ATOM 667 CE2 PHE A 47 -18.149 -47.169 -7.582 1.00 10.00 C ATOM 668 CZ PHE A 47 -17.408 -48.362 -7.543 1.00 10.00 C ATOM 0 H PHE A 47 -17.887 -46.271 -2.984 1.00 10.00 H new ATOM 0 HA PHE A 47 -15.073 -46.067 -3.511 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -17.450 -44.555 -4.638 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -15.818 -44.496 -5.275 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -15.265 -47.583 -5.005 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -18.449 -45.227 -6.693 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -15.794 -49.424 -6.585 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -18.928 -47.041 -8.319 1.00 10.00 H new ATOM 0 HZ PHE A 47 -17.636 -49.163 -8.231 1.00 10.00 H new ATOM 678 N ALA A 48 -14.893 -44.345 -1.504 1.00 10.00 N ATOM 679 CA ALA A 48 -14.473 -43.236 -0.658 1.00 10.00 C ATOM 680 C ALA A 48 -13.337 -42.421 -1.293 1.00 10.00 C ATOM 681 O ALA A 48 -12.259 -42.285 -0.710 1.00 10.00 O ATOM 682 CB ALA A 48 -14.091 -43.799 0.714 1.00 10.00 C ATOM 0 H ALA A 48 -14.575 -45.252 -1.163 1.00 10.00 H new ATOM 0 HA ALA A 48 -15.297 -42.532 -0.542 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.773 -42.985 1.365 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -14.953 -44.300 1.154 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -13.275 -44.513 0.600 1.00 10.00 H new ATOM 688 N VAL A 49 -13.589 -41.865 -2.480 1.00 10.00 N ATOM 689 CA VAL A 49 -12.639 -41.056 -3.234 1.00 10.00 C ATOM 690 C VAL A 49 -12.546 -39.654 -2.652 1.00 10.00 C ATOM 691 O VAL A 49 -13.339 -39.296 -1.782 1.00 10.00 O ATOM 692 CB VAL A 49 -12.995 -41.043 -4.726 1.00 10.00 C ATOM 693 CG1 VAL A 49 -12.889 -42.477 -5.239 1.00 10.00 C ATOM 694 CG2 VAL A 49 -14.381 -40.451 -5.016 1.00 10.00 C ATOM 0 H VAL A 49 -14.486 -41.970 -2.953 1.00 10.00 H new ATOM 0 HA VAL A 49 -11.651 -41.507 -3.147 1.00 10.00 H new ATOM 0 HB VAL A 49 -12.295 -40.389 -5.247 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -13.137 -42.503 -6.300 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -11.872 -42.841 -5.095 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -13.583 -43.112 -4.689 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -14.568 -40.472 -6.090 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -15.142 -41.039 -4.503 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -14.418 -39.421 -4.662 1.00 10.00 H new ATOM 704 N GLN A 50 -11.567 -38.865 -3.108 1.00 10.00 N ATOM 705 CA GLN A 50 -11.324 -37.550 -2.548 1.00 10.00 C ATOM 706 C GLN A 50 -10.820 -36.554 -3.587 1.00 10.00 C ATOM 707 O GLN A 50 -10.286 -36.960 -4.618 1.00 10.00 O ATOM 708 CB GLN A 50 -10.338 -37.735 -1.383 1.00 10.00 C ATOM 709 CG GLN A 50 -8.895 -37.929 -1.867 1.00 10.00 C ATOM 710 CD GLN A 50 -7.921 -38.376 -0.776 1.00 10.00 C ATOM 711 OE1 GLN A 50 -8.377 -38.561 0.461 1.00 10.00 O flip ATOM 712 NE2 GLN A 50 -6.737 -38.546 -1.044 1.00 10.00 N flip ATOM 0 H GLN A 50 -10.934 -39.123 -3.865 1.00 10.00 H new ATOM 0 HA GLN A 50 -12.257 -37.116 -2.189 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -10.385 -36.865 -0.728 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -10.639 -38.598 -0.789 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -8.889 -38.668 -2.668 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -8.538 -36.992 -2.295 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -6.404 -38.400 -1.997 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -6.085 -38.833 -0.314 1.00 10.00 H new ATOM 721 N GLN A 51 -10.968 -35.257 -3.293 1.00 10.00 N ATOM 722 CA GLN A 51 -10.516 -34.154 -4.136 1.00 10.00 C ATOM 723 C GLN A 51 -10.013 -33.026 -3.234 1.00 10.00 C ATOM 724 O GLN A 51 -10.399 -32.957 -2.070 1.00 10.00 O ATOM 725 CB GLN A 51 -11.651 -33.610 -5.023 1.00 10.00 C ATOM 726 CG GLN A 51 -12.502 -34.673 -5.733 1.00 10.00 C ATOM 727 CD GLN A 51 -13.622 -35.220 -4.849 1.00 10.00 C ATOM 728 OE1 GLN A 51 -13.662 -36.405 -4.535 1.00 10.00 O ATOM 729 NE2 GLN A 51 -14.549 -34.356 -4.442 1.00 10.00 N ATOM 0 H GLN A 51 -11.420 -34.941 -2.435 1.00 10.00 H new ATOM 0 HA GLN A 51 -9.724 -34.524 -4.788 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -12.308 -32.996 -4.407 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -11.217 -32.954 -5.777 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -12.935 -34.242 -6.636 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -11.860 -35.495 -6.049 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -14.490 -33.376 -4.719 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -15.319 -34.674 -3.853 1.00 10.00 H new ATOM 738 N THR A 52 -9.176 -32.128 -3.757 1.00 10.00 N ATOM 739 CA THR A 52 -8.677 -30.981 -3.014 1.00 10.00 C ATOM 740 C THR A 52 -9.843 -30.185 -2.425 1.00 10.00 C ATOM 741 O THR A 52 -10.819 -29.923 -3.125 1.00 10.00 O ATOM 742 CB THR A 52 -7.875 -30.102 -3.979 1.00 10.00 C ATOM 743 OG1 THR A 52 -6.993 -30.920 -4.721 1.00 10.00 O ATOM 744 CG2 THR A 52 -7.093 -29.024 -3.225 1.00 10.00 C ATOM 0 H THR A 52 -8.826 -32.181 -4.714 1.00 10.00 H new ATOM 0 HA THR A 52 -8.044 -31.314 -2.192 1.00 10.00 H new ATOM 0 HB THR A 52 -8.565 -29.596 -4.654 1.00 10.00 H new ATOM 0 HG1 THR A 52 -6.477 -30.365 -5.342 1.00 10.00 H new ATOM 0 HG21 THR A 52 -6.534 -28.416 -3.936 1.00 10.00 H new ATOM 0 HG22 THR A 52 -7.787 -28.390 -2.673 1.00 10.00 H new ATOM 0 HG23 THR A 52 -6.401 -29.497 -2.529 1.00 10.00 H new ATOM 752 N CYS A 53 -9.758 -29.789 -1.153 1.00 10.00 N ATOM 753 CA CYS A 53 -10.819 -29.027 -0.519 1.00 10.00 C ATOM 754 C CYS A 53 -10.766 -27.573 -1.008 1.00 10.00 C ATOM 755 O CYS A 53 -9.772 -26.893 -0.746 1.00 10.00 O ATOM 756 CB CYS A 53 -10.656 -29.091 0.998 1.00 10.00 C ATOM 757 SG CYS A 53 -12.009 -28.288 1.887 1.00 10.00 S ATOM 0 H CYS A 53 -8.962 -29.987 -0.547 1.00 10.00 H new ATOM 0 HA CYS A 53 -11.788 -29.450 -0.784 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -10.594 -30.134 1.308 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -9.714 -28.619 1.277 1.00 10.00 H new ATOM 762 N PRO A 54 -11.802 -27.067 -1.699 1.00 10.00 N ATOM 763 CA PRO A 54 -11.800 -25.705 -2.212 1.00 10.00 C ATOM 764 C PRO A 54 -11.898 -24.683 -1.078 1.00 10.00 C ATOM 765 O PRO A 54 -11.241 -23.648 -1.136 1.00 10.00 O ATOM 766 CB PRO A 54 -12.992 -25.627 -3.168 1.00 10.00 C ATOM 767 CG PRO A 54 -13.968 -26.667 -2.616 1.00 10.00 C ATOM 768 CD PRO A 54 -13.040 -27.747 -2.058 1.00 10.00 C ATOM 0 HA PRO A 54 -10.870 -25.466 -2.728 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -13.433 -24.630 -3.178 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -12.699 -25.857 -4.193 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -14.610 -26.247 -1.842 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -14.622 -27.060 -3.394 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -13.485 -28.232 -1.189 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -12.857 -28.525 -2.799 1.00 10.00 H new ATOM 776 N HIS A 55 -12.708 -24.976 -0.054 1.00 10.00 N ATOM 777 CA HIS A 55 -12.961 -24.129 1.112 1.00 10.00 C ATOM 778 C HIS A 55 -11.674 -23.526 1.692 1.00 10.00 C ATOM 779 O HIS A 55 -11.634 -22.340 2.019 1.00 10.00 O ATOM 780 CB HIS A 55 -13.721 -24.969 2.152 1.00 10.00 C ATOM 781 CG HIS A 55 -14.201 -24.256 3.393 1.00 10.00 C ATOM 782 ND1 HIS A 55 -14.620 -24.880 4.547 1.00 10.00 N ATOM 783 CD2 HIS A 55 -14.389 -22.908 3.564 1.00 10.00 C ATOM 784 CE1 HIS A 55 -15.031 -23.927 5.399 1.00 10.00 C ATOM 785 NE2 HIS A 55 -14.908 -22.710 4.846 1.00 10.00 N ATOM 0 H HIS A 55 -13.228 -25.852 -0.016 1.00 10.00 H new ATOM 0 HA HIS A 55 -13.565 -23.273 0.811 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -14.587 -25.413 1.661 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -13.074 -25.790 2.462 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -14.174 -22.138 2.838 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -15.409 -24.114 6.393 1.00 10.00 H new ATOM 0 HE2 HIS A 55 -15.146 -21.817 5.277 1.00 10.00 H new ATOM 793 N CYS A 56 -10.621 -24.342 1.799 1.00 10.00 N ATOM 794 CA CYS A 56 -9.314 -23.930 2.306 1.00 10.00 C ATOM 795 C CYS A 56 -8.230 -24.039 1.231 1.00 10.00 C ATOM 796 O CYS A 56 -7.051 -24.156 1.560 1.00 10.00 O ATOM 797 CB CYS A 56 -8.950 -24.793 3.513 1.00 10.00 C ATOM 798 SG CYS A 56 -8.940 -26.559 3.158 1.00 10.00 S ATOM 0 H CYS A 56 -10.657 -25.325 1.530 1.00 10.00 H new ATOM 0 HA CYS A 56 -9.373 -22.883 2.602 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -7.966 -24.498 3.877 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -9.659 -24.596 4.317 1.00 10.00 H new ATOM 803 N GLN A 57 -8.616 -24.010 -0.049 1.00 10.00 N ATOM 804 CA GLN A 57 -7.713 -24.057 -1.190 1.00 10.00 C ATOM 805 C GLN A 57 -6.618 -25.119 -1.005 1.00 10.00 C ATOM 806 O GLN A 57 -5.444 -24.871 -1.270 1.00 10.00 O ATOM 807 CB GLN A 57 -7.129 -22.655 -1.445 1.00 10.00 C ATOM 808 CG GLN A 57 -8.181 -21.541 -1.613 1.00 10.00 C ATOM 809 CD GLN A 57 -8.814 -21.090 -0.295 1.00 10.00 C ATOM 810 OE1 GLN A 57 -8.169 -20.444 0.526 1.00 10.00 O ATOM 811 NE2 GLN A 57 -10.077 -21.436 -0.069 1.00 10.00 N ATOM 0 H GLN A 57 -9.597 -23.951 -0.321 1.00 10.00 H new ATOM 0 HA GLN A 57 -8.277 -24.358 -2.073 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -6.472 -22.394 -0.616 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -6.511 -22.691 -2.342 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -7.714 -20.682 -2.094 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -8.967 -21.893 -2.282 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -10.591 -21.973 -0.767 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -10.532 -21.165 0.803 1.00 10.00 H new ATOM 820 N GLY A 58 -7.006 -26.310 -0.543 1.00 10.00 N ATOM 821 CA GLY A 58 -6.091 -27.425 -0.339 1.00 10.00 C ATOM 822 C GLY A 58 -5.131 -27.305 0.853 1.00 10.00 C ATOM 823 O GLY A 58 -4.411 -28.260 1.127 1.00 10.00 O ATOM 0 H GLY A 58 -7.973 -26.525 -0.299 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -6.680 -28.333 -0.214 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -5.498 -27.552 -1.245 1.00 10.00 H new ATOM 827 N ARG A 59 -5.091 -26.181 1.577 1.00 10.00 N ATOM 828 CA ARG A 59 -4.155 -26.002 2.689 1.00 10.00 C ATOM 829 C ARG A 59 -4.627 -26.655 3.995 1.00 10.00 C ATOM 830 O ARG A 59 -3.913 -26.609 4.996 1.00 10.00 O ATOM 831 CB ARG A 59 -3.980 -24.507 2.984 1.00 10.00 C ATOM 832 CG ARG A 59 -3.531 -23.633 1.806 1.00 10.00 C ATOM 833 CD ARG A 59 -3.346 -22.192 2.310 1.00 10.00 C ATOM 834 NE ARG A 59 -4.579 -21.720 2.958 1.00 10.00 N ATOM 835 CZ ARG A 59 -5.640 -21.225 2.310 1.00 10.00 C ATOM 836 NH1 ARG A 59 -5.512 -20.637 1.119 1.00 10.00 N ATOM 837 NH2 ARG A 59 -6.854 -21.331 2.851 1.00 10.00 N ATOM 0 H ARG A 59 -5.699 -25.379 1.411 1.00 10.00 H new ATOM 0 HA ARG A 59 -3.227 -26.478 2.372 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -4.927 -24.118 3.358 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -3.252 -24.399 3.788 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -2.598 -24.011 1.388 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -4.273 -23.663 1.008 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -2.516 -22.149 3.015 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -3.090 -21.537 1.477 1.00 10.00 H new ATOM 0 HE ARG A 59 -4.629 -21.774 3.975 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -4.592 -20.558 0.685 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -6.334 -20.266 0.642 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -6.971 -21.788 3.755 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -7.666 -20.955 2.361 1.00 10.00 H new ATOM 851 N GLY A 60 -5.866 -27.150 4.045 1.00 10.00 N ATOM 852 CA GLY A 60 -6.474 -27.688 5.265 1.00 10.00 C ATOM 853 C GLY A 60 -6.769 -26.607 6.324 1.00 10.00 C ATOM 854 O GLY A 60 -7.387 -26.895 7.351 1.00 10.00 O ATOM 0 H GLY A 60 -6.481 -27.189 3.232 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -7.402 -28.197 5.006 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -5.809 -28.437 5.695 1.00 10.00 H new ATOM 858 N THR A 61 -6.312 -25.372 6.096 1.00 10.00 N ATOM 859 CA THR A 61 -6.352 -24.250 7.012 1.00 10.00 C ATOM 860 C THR A 61 -7.135 -23.067 6.432 1.00 10.00 C ATOM 861 O THR A 61 -6.942 -22.676 5.280 1.00 10.00 O ATOM 862 CB THR A 61 -4.889 -23.885 7.310 1.00 10.00 C ATOM 863 OG1 THR A 61 -4.059 -24.093 6.183 1.00 10.00 O ATOM 864 CG2 THR A 61 -4.349 -24.727 8.470 1.00 10.00 C ATOM 0 H THR A 61 -5.878 -25.123 5.207 1.00 10.00 H new ATOM 0 HA THR A 61 -6.878 -24.514 7.929 1.00 10.00 H new ATOM 0 HB THR A 61 -4.875 -22.827 7.574 1.00 10.00 H new ATOM 0 HG1 THR A 61 -4.012 -25.051 5.984 1.00 10.00 H new ATOM 0 HG21 THR A 61 -3.312 -24.454 8.666 1.00 10.00 H new ATOM 0 HG22 THR A 61 -4.947 -24.543 9.362 1.00 10.00 H new ATOM 0 HG23 THR A 61 -4.403 -25.784 8.208 1.00 10.00 H new ATOM 872 N LEU A 62 -8.020 -22.493 7.250 1.00 10.00 N ATOM 873 CA LEU A 62 -8.852 -21.350 6.915 1.00 10.00 C ATOM 874 C LEU A 62 -8.159 -20.080 7.392 1.00 10.00 C ATOM 875 O LEU A 62 -7.905 -19.905 8.587 1.00 10.00 O ATOM 876 CB LEU A 62 -10.229 -21.471 7.574 1.00 10.00 C ATOM 877 CG LEU A 62 -11.045 -22.674 7.084 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.304 -22.785 7.951 1.00 10.00 C ATOM 879 CD2 LEU A 62 -11.453 -22.515 5.615 1.00 10.00 C ATOM 0 H LEU A 62 -8.178 -22.830 8.200 1.00 10.00 H new ATOM 0 HA LEU A 62 -8.994 -21.314 5.835 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -10.100 -21.547 8.654 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -10.794 -20.559 7.384 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.433 -23.572 7.165 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -12.900 -23.635 7.620 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -12.017 -22.927 8.993 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -12.892 -21.872 7.858 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -12.030 -23.385 5.301 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -12.060 -21.617 5.501 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.560 -22.429 4.996 1.00 10.00 H new ATOM 891 N ILE A 63 -7.868 -19.201 6.436 1.00 10.00 N ATOM 892 CA ILE A 63 -7.206 -17.924 6.630 1.00 10.00 C ATOM 893 C ILE A 63 -8.162 -16.977 7.358 1.00 10.00 C ATOM 894 O ILE A 63 -8.831 -16.158 6.733 1.00 10.00 O ATOM 895 CB ILE A 63 -6.742 -17.394 5.258 1.00 10.00 C ATOM 896 CG1 ILE A 63 -5.873 -18.428 4.513 1.00 10.00 C ATOM 897 CG2 ILE A 63 -5.998 -16.058 5.389 1.00 10.00 C ATOM 898 CD1 ILE A 63 -4.557 -18.771 5.211 1.00 10.00 C ATOM 0 H ILE A 63 -8.101 -19.374 5.458 1.00 10.00 H new ATOM 0 HA ILE A 63 -6.317 -18.018 7.254 1.00 10.00 H new ATOM 0 HB ILE A 63 -7.641 -17.221 4.666 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -6.450 -19.343 4.384 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -5.652 -18.047 3.516 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -5.687 -15.717 4.402 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -6.658 -15.316 5.838 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -5.120 -16.191 6.020 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -4.011 -19.505 4.618 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -3.955 -17.868 5.316 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -4.766 -19.185 6.198 1.00 10.00 H new ATOM 910 N LYS A 64 -8.234 -17.126 8.685 1.00 10.00 N ATOM 911 CA LYS A 64 -9.084 -16.347 9.578 1.00 10.00 C ATOM 912 C LYS A 64 -9.068 -14.859 9.205 1.00 10.00 C ATOM 913 O LYS A 64 -10.119 -14.238 9.065 1.00 10.00 O ATOM 914 CB LYS A 64 -8.617 -16.573 11.023 1.00 10.00 C ATOM 915 CG LYS A 64 -9.514 -15.853 12.038 1.00 10.00 C ATOM 916 CD LYS A 64 -9.205 -16.345 13.459 1.00 10.00 C ATOM 917 CE LYS A 64 -9.998 -15.576 14.523 1.00 10.00 C ATOM 918 NZ LYS A 64 -9.618 -14.153 14.578 1.00 10.00 N ATOM 0 H LYS A 64 -7.677 -17.822 9.182 1.00 10.00 H new ATOM 0 HA LYS A 64 -10.117 -16.679 9.479 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -8.611 -17.641 11.239 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -7.591 -16.220 11.132 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -9.356 -14.776 11.975 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -10.562 -16.035 11.802 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -9.437 -17.407 13.532 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -8.138 -16.238 13.655 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -11.064 -15.658 14.310 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -9.832 -16.033 15.499 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -9.418 -13.885 15.563 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -8.769 -13.998 13.998 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -10.398 -13.571 14.212 1.00 10.00 H new ATOM 932 N ASP A 65 -7.866 -14.301 9.043 1.00 10.00 N ATOM 933 CA ASP A 65 -7.628 -12.925 8.632 1.00 10.00 C ATOM 934 C ASP A 65 -6.310 -12.921 7.847 1.00 10.00 C ATOM 935 O ASP A 65 -5.328 -13.497 8.318 1.00 10.00 O ATOM 936 CB ASP A 65 -7.651 -11.962 9.827 1.00 10.00 C ATOM 937 CG ASP A 65 -6.562 -12.196 10.868 1.00 10.00 C ATOM 938 OD1 ASP A 65 -6.160 -13.364 11.059 1.00 10.00 O ATOM 939 OD2 ASP A 65 -6.174 -11.184 11.489 1.00 10.00 O ATOM 0 H ASP A 65 -7.002 -14.819 9.202 1.00 10.00 H new ATOM 0 HA ASP A 65 -8.426 -12.555 7.988 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -7.561 -10.942 9.453 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -8.622 -12.038 10.316 1.00 10.00 H new ATOM 944 N PRO A 66 -6.284 -12.350 6.631 1.00 10.00 N ATOM 945 CA PRO A 66 -5.142 -12.449 5.741 1.00 10.00 C ATOM 946 C PRO A 66 -3.908 -11.664 6.189 1.00 10.00 C ATOM 947 O PRO A 66 -3.979 -10.498 6.576 1.00 10.00 O ATOM 948 CB PRO A 66 -5.642 -11.967 4.375 1.00 10.00 C ATOM 949 CG PRO A 66 -6.765 -10.999 4.740 1.00 10.00 C ATOM 950 CD PRO A 66 -7.380 -11.658 5.973 1.00 10.00 C ATOM 0 HA PRO A 66 -4.789 -13.480 5.724 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -4.853 -11.474 3.808 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -6.005 -12.793 3.764 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -6.385 -10.001 4.960 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -7.489 -10.894 3.932 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -7.828 -10.915 6.633 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.171 -12.353 5.693 1.00 10.00 H new ATOM 958 N CYS A 67 -2.753 -12.315 6.066 1.00 10.00 N ATOM 959 CA CYS A 67 -1.440 -11.759 6.315 1.00 10.00 C ATOM 960 C CYS A 67 -1.126 -10.826 5.147 1.00 10.00 C ATOM 961 O CYS A 67 -0.598 -11.264 4.121 1.00 10.00 O ATOM 962 CB CYS A 67 -0.427 -12.907 6.403 1.00 10.00 C ATOM 963 SG CYS A 67 1.309 -12.418 6.580 1.00 10.00 S ATOM 0 H CYS A 67 -2.714 -13.292 5.775 1.00 10.00 H new ATOM 0 HA CYS A 67 -1.396 -11.203 7.252 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -0.695 -13.538 7.250 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -0.522 -13.520 5.506 1.00 10.00 H new ATOM 968 N ASN A 68 -1.490 -9.550 5.301 1.00 10.00 N ATOM 969 CA ASN A 68 -1.319 -8.489 4.312 1.00 10.00 C ATOM 970 C ASN A 68 0.015 -8.585 3.568 1.00 10.00 C ATOM 971 O ASN A 68 0.038 -8.478 2.345 1.00 10.00 O ATOM 972 CB ASN A 68 -1.457 -7.121 4.989 1.00 10.00 C ATOM 973 CG ASN A 68 -1.272 -5.992 3.978 1.00 10.00 C ATOM 974 OD1 ASN A 68 -2.213 -5.612 3.291 1.00 10.00 O ATOM 975 ND2 ASN A 68 -0.065 -5.443 3.877 1.00 10.00 N ATOM 0 H ASN A 68 -1.931 -9.216 6.158 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.103 -8.611 3.565 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -2.438 -7.039 5.456 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -0.717 -7.028 5.784 1.00 10.00 H new ATOM 0 HD21 ASN A 68 0.096 -4.685 3.214 1.00 10.00 H new ATOM 0 HD22 ASN A 68 0.699 -5.780 4.462 1.00 10.00 H new ATOM 982 N LYS A 69 1.111 -8.814 4.304 1.00 10.00 N ATOM 983 CA LYS A 69 2.461 -8.964 3.766 1.00 10.00 C ATOM 984 C LYS A 69 2.503 -9.837 2.504 1.00 10.00 C ATOM 985 O LYS A 69 3.252 -9.535 1.578 1.00 10.00 O ATOM 986 CB LYS A 69 3.381 -9.537 4.855 1.00 10.00 C ATOM 987 CG LYS A 69 4.835 -9.640 4.372 1.00 10.00 C ATOM 988 CD LYS A 69 5.741 -10.124 5.508 1.00 10.00 C ATOM 989 CE LYS A 69 7.151 -10.464 5.005 1.00 10.00 C ATOM 990 NZ LYS A 69 7.817 -9.299 4.397 1.00 10.00 N ATOM 0 H LYS A 69 1.077 -8.902 5.320 1.00 10.00 H new ATOM 0 HA LYS A 69 2.812 -7.977 3.466 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.336 -8.903 5.741 1.00 10.00 H new ATOM 0 HB3 LYS A 69 3.025 -10.524 5.151 1.00 10.00 H new ATOM 0 HG2 LYS A 69 4.897 -10.329 3.530 1.00 10.00 H new ATOM 0 HG3 LYS A 69 5.176 -8.668 4.015 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.805 -9.353 6.276 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.300 -11.004 5.976 1.00 10.00 H new ATOM 0 HE2 LYS A 69 7.753 -10.833 5.836 1.00 10.00 H new ATOM 0 HE3 LYS A 69 7.090 -11.269 4.273 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 8.805 -9.539 4.179 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 7.323 -9.035 3.521 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.793 -8.500 5.062 1.00 10.00 H new ATOM 1004 N CYS A 70 1.713 -10.915 2.473 1.00 10.00 N ATOM 1005 CA CYS A 70 1.639 -11.836 1.346 1.00 10.00 C ATOM 1006 C CYS A 70 0.199 -11.959 0.844 1.00 10.00 C ATOM 1007 O CYS A 70 -0.159 -12.989 0.278 1.00 10.00 O ATOM 1008 CB CYS A 70 2.163 -13.203 1.797 1.00 10.00 C ATOM 1009 SG CYS A 70 1.227 -13.958 3.150 1.00 10.00 S ATOM 0 H CYS A 70 1.099 -11.172 3.246 1.00 10.00 H new ATOM 0 HA CYS A 70 2.248 -11.458 0.525 1.00 10.00 H new ATOM 0 HB2 CYS A 70 2.154 -13.881 0.943 1.00 10.00 H new ATOM 0 HB3 CYS A 70 3.202 -13.095 2.107 1.00 10.00 H new ATOM 1014 N HIS A 71 -0.639 -10.944 1.081 1.00 10.00 N ATOM 1015 CA HIS A 71 -2.054 -10.945 0.723 1.00 10.00 C ATOM 1016 C HIS A 71 -2.733 -12.253 1.174 1.00 10.00 C ATOM 1017 O HIS A 71 -3.612 -12.788 0.500 1.00 10.00 O ATOM 1018 CB HIS A 71 -2.193 -10.656 -0.781 1.00 10.00 C ATOM 1019 CG HIS A 71 -3.572 -10.210 -1.205 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -4.724 -10.953 -1.104 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -3.905 -9.009 -1.773 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -5.733 -10.214 -1.595 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -5.283 -9.021 -2.016 1.00 10.00 N ATOM 0 H HIS A 71 -0.342 -10.082 1.537 1.00 10.00 H new ATOM 0 HA HIS A 71 -2.581 -10.151 1.252 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -1.474 -9.886 -1.059 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -1.928 -11.555 -1.337 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -4.799 -11.897 -0.724 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -3.226 -8.199 -1.994 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -6.763 -10.535 -1.644 1.00 10.00 H new ATOM 1031 N GLY A 72 -2.311 -12.788 2.324 1.00 10.00 N ATOM 1032 CA GLY A 72 -2.823 -14.032 2.872 1.00 10.00 C ATOM 1033 C GLY A 72 -2.641 -15.260 1.971 1.00 10.00 C ATOM 1034 O GLY A 72 -3.337 -16.253 2.162 1.00 10.00 O ATOM 0 H GLY A 72 -1.592 -12.356 2.904 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.329 -14.223 3.825 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.885 -13.909 3.083 1.00 10.00 H new ATOM 1038 N HIS A 73 -1.706 -15.227 1.015 1.00 10.00 N ATOM 1039 CA HIS A 73 -1.430 -16.357 0.136 1.00 10.00 C ATOM 1040 C HIS A 73 -0.644 -17.436 0.886 1.00 10.00 C ATOM 1041 O HIS A 73 -0.869 -18.630 0.683 1.00 10.00 O ATOM 1042 CB HIS A 73 -0.634 -15.858 -1.076 1.00 10.00 C ATOM 1043 CG HIS A 73 -0.223 -16.935 -2.048 1.00 10.00 C ATOM 1044 ND1 HIS A 73 -0.735 -18.212 -2.132 1.00 10.00 N ATOM 1045 CD2 HIS A 73 0.776 -16.829 -2.977 1.00 10.00 C ATOM 1046 CE1 HIS A 73 -0.066 -18.853 -3.105 1.00 10.00 C ATOM 1047 NE2 HIS A 73 0.876 -18.058 -3.636 1.00 10.00 N ATOM 0 H HIS A 73 -1.121 -14.412 0.833 1.00 10.00 H new ATOM 0 HA HIS A 73 -2.368 -16.798 -0.201 1.00 10.00 H new ATOM 0 HB2 HIS A 73 -1.233 -15.118 -1.607 1.00 10.00 H new ATOM 0 HB3 HIS A 73 0.261 -15.348 -0.720 1.00 10.00 H new ATOM 0 HD1 HIS A 73 -1.485 -18.600 -1.560 1.00 10.00 H new ATOM 0 HD2 HIS A 73 1.379 -15.953 -3.167 1.00 10.00 H new ATOM 0 HE1 HIS A 73 -0.260 -19.869 -3.417 1.00 10.00 H new ATOM 1055 N GLY A 74 0.312 -16.993 1.704 1.00 10.00 N ATOM 1056 CA GLY A 74 1.213 -17.832 2.485 1.00 10.00 C ATOM 1057 C GLY A 74 2.675 -17.649 2.069 1.00 10.00 C ATOM 1058 O GLY A 74 3.578 -18.065 2.788 1.00 10.00 O ATOM 0 H GLY A 74 0.484 -15.997 1.844 1.00 10.00 H new ATOM 0 HA2 GLY A 74 1.105 -17.593 3.543 1.00 10.00 H new ATOM 0 HA3 GLY A 74 0.930 -18.878 2.364 1.00 10.00 H new ATOM 1062 N ARG A 75 2.929 -17.013 0.923 1.00 10.00 N ATOM 1063 CA ARG A 75 4.269 -16.791 0.404 1.00 10.00 C ATOM 1064 C ARG A 75 4.311 -15.477 -0.361 1.00 10.00 C ATOM 1065 O ARG A 75 3.326 -15.112 -1.000 1.00 10.00 O ATOM 1066 CB ARG A 75 4.705 -17.980 -0.464 1.00 10.00 C ATOM 1067 CG ARG A 75 3.686 -18.359 -1.557 1.00 10.00 C ATOM 1068 CD ARG A 75 3.686 -19.870 -1.842 1.00 10.00 C ATOM 1069 NE ARG A 75 3.500 -20.658 -0.612 1.00 10.00 N ATOM 1070 CZ ARG A 75 2.449 -20.575 0.217 1.00 10.00 C ATOM 1071 NH1 ARG A 75 1.310 -20.014 -0.202 1.00 10.00 N ATOM 1072 NH2 ARG A 75 2.580 -21.032 1.465 1.00 10.00 N ATOM 0 H ARG A 75 2.194 -16.634 0.325 1.00 10.00 H new ATOM 0 HA ARG A 75 4.977 -16.718 1.230 1.00 10.00 H new ATOM 0 HB2 ARG A 75 5.659 -17.743 -0.936 1.00 10.00 H new ATOM 0 HB3 ARG A 75 4.873 -18.844 0.178 1.00 10.00 H new ATOM 0 HG2 ARG A 75 2.688 -18.048 -1.247 1.00 10.00 H new ATOM 0 HG3 ARG A 75 3.918 -17.817 -2.474 1.00 10.00 H new ATOM 0 HD2 ARG A 75 2.891 -20.107 -2.549 1.00 10.00 H new ATOM 0 HD3 ARG A 75 4.627 -20.151 -2.315 1.00 10.00 H new ATOM 0 HE ARG A 75 4.233 -21.324 -0.370 1.00 10.00 H new ATOM 0 HH11 ARG A 75 1.240 -19.649 -1.152 1.00 10.00 H new ATOM 0 HH12 ARG A 75 0.511 -19.951 0.428 1.00 10.00 H new ATOM 0 HH21 ARG A 75 3.466 -21.434 1.771 1.00 10.00 H new ATOM 0 HH22 ARG A 75 1.794 -20.979 2.113 1.00 10.00 H new ATOM 1086 N VAL A 76 5.447 -14.779 -0.289 1.00 10.00 N ATOM 1087 CA VAL A 76 5.657 -13.518 -0.985 1.00 10.00 C ATOM 1088 C VAL A 76 6.344 -13.819 -2.314 1.00 10.00 C ATOM 1089 O VAL A 76 7.248 -14.652 -2.371 1.00 10.00 O ATOM 1090 CB VAL A 76 6.456 -12.513 -0.130 1.00 10.00 C ATOM 1091 CG1 VAL A 76 5.692 -12.153 1.148 1.00 10.00 C ATOM 1092 CG2 VAL A 76 7.863 -12.989 0.250 1.00 10.00 C ATOM 0 H VAL A 76 6.251 -15.081 0.261 1.00 10.00 H new ATOM 0 HA VAL A 76 4.697 -13.038 -1.173 1.00 10.00 H new ATOM 0 HB VAL A 76 6.575 -11.636 -0.767 1.00 10.00 H new ATOM 0 HG11 VAL A 76 6.276 -11.443 1.733 1.00 10.00 H new ATOM 0 HG12 VAL A 76 4.734 -11.705 0.885 1.00 10.00 H new ATOM 0 HG13 VAL A 76 5.521 -13.055 1.736 1.00 10.00 H new ATOM 0 HG21 VAL A 76 8.356 -12.224 0.850 1.00 10.00 H new ATOM 0 HG22 VAL A 76 7.792 -13.912 0.826 1.00 10.00 H new ATOM 0 HG23 VAL A 76 8.443 -13.170 -0.655 1.00 10.00 H new ATOM 1102 N GLU A 77 5.913 -13.150 -3.383 1.00 10.00 N ATOM 1103 CA GLU A 77 6.488 -13.314 -4.704 1.00 10.00 C ATOM 1104 C GLU A 77 7.660 -12.346 -4.849 1.00 10.00 C ATOM 1105 O GLU A 77 7.472 -11.138 -4.691 1.00 10.00 O ATOM 1106 CB GLU A 77 5.408 -13.047 -5.761 1.00 10.00 C ATOM 1107 CG GLU A 77 5.956 -13.238 -7.179 1.00 10.00 C ATOM 1108 CD GLU A 77 4.883 -12.993 -8.233 1.00 10.00 C ATOM 1109 OE1 GLU A 77 3.967 -13.839 -8.320 1.00 10.00 O ATOM 1110 OE2 GLU A 77 4.998 -11.959 -8.927 1.00 10.00 O ATOM 0 H GLU A 77 5.149 -12.475 -3.349 1.00 10.00 H new ATOM 0 HA GLU A 77 6.855 -14.331 -4.844 1.00 10.00 H new ATOM 0 HB2 GLU A 77 4.566 -13.720 -5.601 1.00 10.00 H new ATOM 0 HB3 GLU A 77 5.030 -12.031 -5.649 1.00 10.00 H new ATOM 0 HG2 GLU A 77 6.790 -12.555 -7.342 1.00 10.00 H new ATOM 0 HG3 GLU A 77 6.347 -14.250 -7.285 1.00 10.00 H new ATOM 1117 N ARG A 78 8.847 -12.867 -5.179 1.00 10.00 N ATOM 1118 CA ARG A 78 10.061 -12.098 -5.421 1.00 10.00 C ATOM 1119 C ARG A 78 9.878 -11.299 -6.719 1.00 10.00 C ATOM 1120 O ARG A 78 10.425 -11.631 -7.766 1.00 10.00 O ATOM 1121 CB ARG A 78 11.259 -13.057 -5.485 1.00 10.00 C ATOM 1122 CG ARG A 78 12.596 -12.305 -5.481 1.00 10.00 C ATOM 1123 CD ARG A 78 13.762 -13.242 -5.830 1.00 10.00 C ATOM 1124 NE ARG A 78 13.622 -13.837 -7.168 1.00 10.00 N ATOM 1125 CZ ARG A 78 13.728 -13.177 -8.331 1.00 10.00 C ATOM 1126 NH1 ARG A 78 14.042 -11.878 -8.359 1.00 10.00 N ATOM 1127 NH2 ARG A 78 13.516 -13.830 -9.475 1.00 10.00 N ATOM 0 H ARG A 78 8.988 -13.871 -5.287 1.00 10.00 H new ATOM 0 HA ARG A 78 10.254 -11.391 -4.614 1.00 10.00 H new ATOM 0 HB2 ARG A 78 11.224 -13.739 -4.635 1.00 10.00 H new ATOM 0 HB3 ARG A 78 11.188 -13.666 -6.386 1.00 10.00 H new ATOM 0 HG2 ARG A 78 12.557 -11.486 -6.199 1.00 10.00 H new ATOM 0 HG3 ARG A 78 12.764 -11.862 -4.500 1.00 10.00 H new ATOM 0 HD2 ARG A 78 14.699 -12.687 -5.778 1.00 10.00 H new ATOM 0 HD3 ARG A 78 13.821 -14.037 -5.086 1.00 10.00 H new ATOM 0 HE ARG A 78 13.428 -14.837 -7.216 1.00 10.00 H new ATOM 0 HH11 ARG A 78 14.205 -11.374 -7.487 1.00 10.00 H new ATOM 0 HH12 ARG A 78 14.119 -11.391 -9.252 1.00 10.00 H new ATOM 0 HH21 ARG A 78 13.276 -14.821 -9.460 1.00 10.00 H new ATOM 0 HH22 ARG A 78 13.594 -13.338 -10.365 1.00 10.00 H new ATOM 1141 N SER A 79 9.057 -10.255 -6.641 1.00 10.00 N ATOM 1142 CA SER A 79 8.661 -9.383 -7.729 1.00 10.00 C ATOM 1143 C SER A 79 9.478 -8.097 -7.679 1.00 10.00 C ATOM 1144 O SER A 79 9.979 -7.634 -8.702 1.00 10.00 O ATOM 1145 CB SER A 79 7.161 -9.106 -7.574 1.00 10.00 C ATOM 1146 OG SER A 79 6.847 -8.859 -6.212 1.00 10.00 O ATOM 0 H SER A 79 8.626 -9.983 -5.757 1.00 10.00 H new ATOM 0 HA SER A 79 8.846 -9.846 -8.698 1.00 10.00 H new ATOM 0 HB2 SER A 79 6.878 -8.247 -8.182 1.00 10.00 H new ATOM 0 HB3 SER A 79 6.587 -9.958 -7.939 1.00 10.00 H new ATOM 0 HG SER A 79 5.887 -8.682 -6.125 1.00 10.00 H new TER 1152 SER A 79 HETATM 1153 ZN ZN A 80 2.176 -14.075 5.232 1.00 10.00 ZN HETATM 1154 ZN ZN A 81 -10.681 -27.928 3.722 1.00 10.00 ZN