USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 GLN : amide:sc= 2.08 K(o=4.5,f=-3.5!) USER MOD Set 1.2: A 41 GLN : amide:sc= 0.801 K(o=4.5,f=2.1) USER MOD Set 1.3: A 50 GLN : amide:sc= 1.62 K(o=4.5,f=-3.5) USER MOD Set 2.1: A 23 LYS NZ :NH3+ -146:sc= 0.837 (180deg=-0.0902) USER MOD Set 2.2: A 26 THR OG1 : rot 59:sc= 0.871 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -49:sc= 1.34 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 1.1 (180deg=1.1) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0912 USER MOD Single : A 18 HIS : no HE2:sc= 1.4 K(o=1.4,f=-9!) USER MOD Single : A 20 SER OG : rot -55:sc= 1.82 USER MOD Single : A 27 GLN : amide:sc= -0.0883 K(o=-0.088,f=-0.84) USER MOD Single : A 29 GLN : amide:sc= -0.989 K(o=-0.99,f=-6.3!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 33 THR OG1 : rot 97:sc= 0.411 USER MOD Single : A 35 HIS : no HE2:sc= 1.02 K(o=1,f=-3.5!) USER MOD Single : A 37 SER OG : rot -78:sc= 1.41 USER MOD Single : A 42 MET CE :methyl 164:sc= -0.235 (180deg=-0.789) USER MOD Single : A 44 GLN : amide:sc= 0.826 K(o=0.83,f=-0.19) USER MOD Single : A 51 GLN : amide:sc= -0.484 X(o=-0.48,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc=0.000175 USER MOD Single : A 55 HIS : no HE2:sc= 0.262 K(o=0.26,f=-2.8!) USER MOD Single : A 57 GLN : amide:sc= 0.871 K(o=0.87,f=-8.5!) USER MOD Single : A 61 THR OG1 : rot 41:sc= 0.408 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0.0702 K(o=0.07,f=-4.9!) USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0326) USER MOD Single : A 71 HIS : no HE2:sc= 0.563 K(o=0.56,f=-2.9!) USER MOD Single : A 73 HIS : no HE2:sc= 0.741 K(o=0.74,f=-2.8!) USER MOD Single : A 79 SER OG : rot 65:sc= 0.381 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.530 -27.152 -1.780 1.00 10.00 N ATOM 2 CA GLY A 1 8.511 -27.189 -0.327 1.00 10.00 C ATOM 3 C GLY A 1 7.690 -28.378 0.167 1.00 10.00 C ATOM 4 O GLY A 1 6.638 -28.198 0.777 1.00 10.00 O ATOM 0 H1 GLY A 1 9.092 -26.338 -2.099 1.00 10.00 H new ATOM 0 H2 GLY A 1 8.954 -28.029 -2.144 1.00 10.00 H new ATOM 0 H3 GLY A 1 7.558 -27.063 -2.138 1.00 10.00 H new ATOM 0 HA2 GLY A 1 9.530 -27.259 0.054 1.00 10.00 H new ATOM 0 HA3 GLY A 1 8.089 -26.262 0.061 1.00 10.00 H new ATOM 8 N VAL A 2 8.181 -29.591 -0.117 1.00 10.00 N ATOM 9 CA VAL A 2 7.582 -30.890 0.205 1.00 10.00 C ATOM 10 C VAL A 2 7.254 -31.072 1.698 1.00 10.00 C ATOM 11 O VAL A 2 7.900 -31.836 2.410 1.00 10.00 O ATOM 12 CB VAL A 2 8.457 -32.027 -0.363 1.00 10.00 C ATOM 13 CG1 VAL A 2 8.378 -32.045 -1.896 1.00 10.00 C ATOM 14 CG2 VAL A 2 9.935 -31.943 0.053 1.00 10.00 C ATOM 0 H VAL A 2 9.067 -29.697 -0.611 1.00 10.00 H new ATOM 0 HA VAL A 2 6.608 -30.929 -0.283 1.00 10.00 H new ATOM 0 HB VAL A 2 8.053 -32.946 0.061 1.00 10.00 H new ATOM 0 HG11 VAL A 2 9.000 -32.852 -2.283 1.00 10.00 H new ATOM 0 HG12 VAL A 2 7.345 -32.203 -2.205 1.00 10.00 H new ATOM 0 HG13 VAL A 2 8.733 -31.093 -2.290 1.00 10.00 H new ATOM 0 HG21 VAL A 2 10.484 -32.776 -0.385 1.00 10.00 H new ATOM 0 HG22 VAL A 2 10.359 -31.003 -0.300 1.00 10.00 H new ATOM 0 HG23 VAL A 2 10.010 -31.990 1.139 1.00 10.00 H new ATOM 24 N THR A 3 6.236 -30.352 2.165 1.00 10.00 N ATOM 25 CA THR A 3 5.751 -30.328 3.534 1.00 10.00 C ATOM 26 C THR A 3 4.230 -30.145 3.476 1.00 10.00 C ATOM 27 O THR A 3 3.471 -31.101 3.609 1.00 10.00 O ATOM 28 CB THR A 3 6.445 -29.171 4.282 1.00 10.00 C ATOM 29 OG1 THR A 3 6.340 -27.959 3.548 1.00 10.00 O ATOM 30 CG2 THR A 3 7.930 -29.449 4.538 1.00 10.00 C ATOM 0 H THR A 3 5.699 -29.734 1.557 1.00 10.00 H new ATOM 0 HA THR A 3 5.976 -31.250 4.070 1.00 10.00 H new ATOM 0 HB THR A 3 5.934 -29.081 5.240 1.00 10.00 H new ATOM 0 HG1 THR A 3 6.600 -28.117 2.616 1.00 10.00 H new ATOM 0 HG21 THR A 3 8.372 -28.605 5.067 1.00 10.00 H new ATOM 0 HG22 THR A 3 8.033 -30.350 5.143 1.00 10.00 H new ATOM 0 HG23 THR A 3 8.443 -29.590 3.587 1.00 10.00 H new ATOM 38 N LYS A 4 3.814 -28.900 3.245 1.00 10.00 N ATOM 39 CA LYS A 4 2.444 -28.433 3.089 1.00 10.00 C ATOM 40 C LYS A 4 2.478 -27.379 1.981 1.00 10.00 C ATOM 41 O LYS A 4 1.813 -27.513 0.955 1.00 10.00 O ATOM 42 CB LYS A 4 1.922 -27.842 4.410 1.00 10.00 C ATOM 43 CG LYS A 4 1.800 -28.870 5.548 1.00 10.00 C ATOM 44 CD LYS A 4 0.769 -29.985 5.299 1.00 10.00 C ATOM 45 CE LYS A 4 -0.669 -29.475 5.127 1.00 10.00 C ATOM 46 NZ LYS A 4 -1.117 -28.704 6.300 1.00 10.00 N ATOM 0 H LYS A 4 4.482 -28.134 3.156 1.00 10.00 H new ATOM 0 HA LYS A 4 1.768 -29.248 2.828 1.00 10.00 H new ATOM 0 HB2 LYS A 4 2.590 -27.041 4.727 1.00 10.00 H new ATOM 0 HB3 LYS A 4 0.945 -27.392 4.234 1.00 10.00 H new ATOM 0 HG2 LYS A 4 2.776 -29.326 5.713 1.00 10.00 H new ATOM 0 HG3 LYS A 4 1.534 -28.346 6.466 1.00 10.00 H new ATOM 0 HD2 LYS A 4 1.057 -30.540 4.406 1.00 10.00 H new ATOM 0 HD3 LYS A 4 0.798 -30.686 6.133 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -0.730 -28.850 4.236 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -1.339 -30.320 4.970 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -2.092 -28.376 6.148 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -1.083 -29.308 7.146 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -0.493 -27.883 6.435 1.00 10.00 H new ATOM 60 N GLU A 5 3.311 -26.351 2.170 1.00 10.00 N ATOM 61 CA GLU A 5 3.532 -25.306 1.183 1.00 10.00 C ATOM 62 C GLU A 5 4.409 -25.872 0.062 1.00 10.00 C ATOM 63 O GLU A 5 5.586 -25.531 -0.034 1.00 10.00 O ATOM 64 CB GLU A 5 4.186 -24.087 1.860 1.00 10.00 C ATOM 65 CG GLU A 5 3.290 -23.438 2.926 1.00 10.00 C ATOM 66 CD GLU A 5 2.043 -22.802 2.315 1.00 10.00 C ATOM 67 OE1 GLU A 5 2.153 -21.637 1.879 1.00 10.00 O ATOM 68 OE2 GLU A 5 1.012 -23.504 2.275 1.00 10.00 O ATOM 0 H GLU A 5 3.854 -26.226 3.024 1.00 10.00 H new ATOM 0 HA GLU A 5 2.588 -24.975 0.751 1.00 10.00 H new ATOM 0 HB2 GLU A 5 5.125 -24.395 2.321 1.00 10.00 H new ATOM 0 HB3 GLU A 5 4.432 -23.345 1.100 1.00 10.00 H new ATOM 0 HG2 GLU A 5 2.992 -24.190 3.656 1.00 10.00 H new ATOM 0 HG3 GLU A 5 3.858 -22.679 3.464 1.00 10.00 H new ATOM 75 N ILE A 6 3.833 -26.744 -0.773 1.00 10.00 N ATOM 76 CA ILE A 6 4.486 -27.406 -1.903 1.00 10.00 C ATOM 77 C ILE A 6 4.809 -26.415 -3.030 1.00 10.00 C ATOM 78 O ILE A 6 4.308 -26.511 -4.149 1.00 10.00 O ATOM 79 CB ILE A 6 3.634 -28.600 -2.384 1.00 10.00 C ATOM 80 CG1 ILE A 6 2.165 -28.218 -2.654 1.00 10.00 C ATOM 81 CG2 ILE A 6 3.715 -29.729 -1.350 1.00 10.00 C ATOM 82 CD1 ILE A 6 1.452 -29.252 -3.530 1.00 10.00 C ATOM 0 H ILE A 6 2.856 -27.018 -0.673 1.00 10.00 H new ATOM 0 HA ILE A 6 5.446 -27.801 -1.570 1.00 10.00 H new ATOM 0 HB ILE A 6 4.043 -28.935 -3.337 1.00 10.00 H new ATOM 0 HG12 ILE A 6 1.636 -28.121 -1.706 1.00 10.00 H new ATOM 0 HG13 ILE A 6 2.128 -27.244 -3.141 1.00 10.00 H new ATOM 0 HG21 ILE A 6 3.114 -30.574 -1.686 1.00 10.00 H new ATOM 0 HG22 ILE A 6 4.752 -30.044 -1.235 1.00 10.00 H new ATOM 0 HG23 ILE A 6 3.336 -29.373 -0.392 1.00 10.00 H new ATOM 0 HD11 ILE A 6 0.420 -28.941 -3.693 1.00 10.00 H new ATOM 0 HD12 ILE A 6 1.964 -29.331 -4.489 1.00 10.00 H new ATOM 0 HD13 ILE A 6 1.464 -30.221 -3.032 1.00 10.00 H new ATOM 94 N ARG A 7 5.671 -25.445 -2.733 1.00 10.00 N ATOM 95 CA ARG A 7 6.074 -24.385 -3.637 1.00 10.00 C ATOM 96 C ARG A 7 7.075 -24.879 -4.681 1.00 10.00 C ATOM 97 O ARG A 7 8.183 -24.352 -4.787 1.00 10.00 O ATOM 98 CB ARG A 7 6.666 -23.246 -2.808 1.00 10.00 C ATOM 99 CG ARG A 7 5.630 -22.606 -1.877 1.00 10.00 C ATOM 100 CD ARG A 7 6.289 -21.598 -0.935 1.00 10.00 C ATOM 101 NE ARG A 7 7.257 -22.239 -0.030 1.00 10.00 N ATOM 102 CZ ARG A 7 8.589 -22.305 -0.192 1.00 10.00 C ATOM 103 NH1 ARG A 7 9.188 -21.841 -1.296 1.00 10.00 N ATOM 104 NH2 ARG A 7 9.328 -22.857 0.775 1.00 10.00 N ATOM 0 H ARG A 7 6.121 -25.379 -1.820 1.00 10.00 H new ATOM 0 HA ARG A 7 5.202 -24.033 -4.188 1.00 10.00 H new ATOM 0 HB2 ARG A 7 7.499 -23.625 -2.216 1.00 10.00 H new ATOM 0 HB3 ARG A 7 7.070 -22.485 -3.476 1.00 10.00 H new ATOM 0 HG2 ARG A 7 4.862 -22.108 -2.469 1.00 10.00 H new ATOM 0 HG3 ARG A 7 5.131 -23.381 -1.295 1.00 10.00 H new ATOM 0 HD2 ARG A 7 6.794 -20.831 -1.521 1.00 10.00 H new ATOM 0 HD3 ARG A 7 5.521 -21.096 -0.347 1.00 10.00 H new ATOM 0 HE ARG A 7 6.877 -22.679 0.808 1.00 10.00 H new ATOM 0 HH11 ARG A 7 8.631 -21.424 -2.042 1.00 10.00 H new ATOM 0 HH12 ARG A 7 10.202 -21.905 -1.391 1.00 10.00 H new ATOM 0 HH21 ARG A 7 8.879 -23.219 1.617 1.00 10.00 H new ATOM 0 HH22 ARG A 7 10.341 -22.917 0.672 1.00 10.00 H new ATOM 118 N ILE A 8 6.678 -25.874 -5.478 1.00 10.00 N ATOM 119 CA ILE A 8 7.517 -26.340 -6.577 1.00 10.00 C ATOM 120 C ILE A 8 7.784 -25.204 -7.579 1.00 10.00 C ATOM 121 O ILE A 8 8.937 -24.948 -7.929 1.00 10.00 O ATOM 122 CB ILE A 8 7.065 -27.686 -7.191 1.00 10.00 C ATOM 123 CG1 ILE A 8 6.599 -28.710 -6.137 1.00 10.00 C ATOM 124 CG2 ILE A 8 8.201 -28.274 -8.044 1.00 10.00 C ATOM 125 CD1 ILE A 8 7.628 -29.021 -5.043 1.00 10.00 C ATOM 0 H ILE A 8 5.790 -26.366 -5.382 1.00 10.00 H new ATOM 0 HA ILE A 8 8.490 -26.604 -6.163 1.00 10.00 H new ATOM 0 HB ILE A 8 6.198 -27.476 -7.817 1.00 10.00 H new ATOM 0 HG12 ILE A 8 5.690 -28.337 -5.665 1.00 10.00 H new ATOM 0 HG13 ILE A 8 6.337 -29.639 -6.644 1.00 10.00 H new ATOM 0 HG21 ILE A 8 7.879 -29.222 -8.475 1.00 10.00 H new ATOM 0 HG22 ILE A 8 8.452 -27.578 -8.845 1.00 10.00 H new ATOM 0 HG23 ILE A 8 9.078 -28.439 -7.418 1.00 10.00 H new ATOM 0 HD11 ILE A 8 7.211 -29.750 -4.348 1.00 10.00 H new ATOM 0 HD12 ILE A 8 8.531 -29.428 -5.498 1.00 10.00 H new ATOM 0 HD13 ILE A 8 7.874 -28.106 -4.504 1.00 10.00 H new ATOM 137 N PRO A 9 6.734 -24.497 -8.018 1.00 10.00 N ATOM 138 CA PRO A 9 6.828 -23.349 -8.900 1.00 10.00 C ATOM 139 C PRO A 9 7.501 -22.186 -8.166 1.00 10.00 C ATOM 140 O PRO A 9 7.785 -22.277 -6.975 1.00 10.00 O ATOM 141 CB PRO A 9 5.380 -22.990 -9.271 1.00 10.00 C ATOM 142 CG PRO A 9 4.566 -24.218 -8.852 1.00 10.00 C ATOM 143 CD PRO A 9 5.360 -24.736 -7.661 1.00 10.00 C ATOM 0 HA PRO A 9 7.423 -23.561 -9.788 1.00 10.00 H new ATOM 0 HB2 PRO A 9 5.046 -22.094 -8.748 1.00 10.00 H new ATOM 0 HB3 PRO A 9 5.280 -22.792 -10.338 1.00 10.00 H new ATOM 0 HG2 PRO A 9 3.544 -23.955 -8.578 1.00 10.00 H new ATOM 0 HG3 PRO A 9 4.502 -24.956 -9.651 1.00 10.00 H new ATOM 0 HD2 PRO A 9 5.090 -24.211 -6.745 1.00 10.00 H new ATOM 0 HD3 PRO A 9 5.172 -25.796 -7.489 1.00 10.00 H new ATOM 151 N THR A 10 7.742 -21.095 -8.889 1.00 10.00 N ATOM 152 CA THR A 10 8.395 -19.861 -8.474 1.00 10.00 C ATOM 153 C THR A 10 7.694 -19.131 -7.311 1.00 10.00 C ATOM 154 O THR A 10 7.309 -17.975 -7.469 1.00 10.00 O ATOM 155 CB THR A 10 8.436 -18.994 -9.752 1.00 10.00 C ATOM 156 OG1 THR A 10 8.703 -19.832 -10.866 1.00 10.00 O ATOM 157 CG2 THR A 10 9.480 -17.878 -9.715 1.00 10.00 C ATOM 0 H THR A 10 7.459 -21.051 -9.868 1.00 10.00 H new ATOM 0 HA THR A 10 9.385 -20.073 -8.070 1.00 10.00 H new ATOM 0 HB THR A 10 7.463 -18.508 -9.829 1.00 10.00 H new ATOM 0 HG1 THR A 10 8.729 -19.291 -11.683 1.00 10.00 H new ATOM 0 HG21 THR A 10 9.445 -17.316 -10.648 1.00 10.00 H new ATOM 0 HG22 THR A 10 9.268 -17.209 -8.881 1.00 10.00 H new ATOM 0 HG23 THR A 10 10.472 -18.312 -9.590 1.00 10.00 H new ATOM 165 N LEU A 11 7.542 -19.754 -6.135 1.00 10.00 N ATOM 166 CA LEU A 11 6.876 -19.176 -4.967 1.00 10.00 C ATOM 167 C LEU A 11 7.710 -19.368 -3.688 1.00 10.00 C ATOM 168 O LEU A 11 8.357 -20.399 -3.515 1.00 10.00 O ATOM 169 CB LEU A 11 5.490 -19.820 -4.800 1.00 10.00 C ATOM 170 CG LEU A 11 4.544 -19.708 -6.012 1.00 10.00 C ATOM 171 CD1 LEU A 11 3.240 -20.441 -5.697 1.00 10.00 C ATOM 172 CD2 LEU A 11 4.159 -18.267 -6.367 1.00 10.00 C ATOM 0 H LEU A 11 7.889 -20.699 -5.968 1.00 10.00 H new ATOM 0 HA LEU A 11 6.767 -18.104 -5.129 1.00 10.00 H new ATOM 0 HB2 LEU A 11 5.627 -20.876 -4.567 1.00 10.00 H new ATOM 0 HB3 LEU A 11 5.001 -19.365 -3.939 1.00 10.00 H new ATOM 0 HG LEU A 11 5.087 -20.137 -6.854 1.00 10.00 H new ATOM 0 HD11 LEU A 11 2.565 -20.366 -6.550 1.00 10.00 H new ATOM 0 HD12 LEU A 11 3.453 -21.491 -5.493 1.00 10.00 H new ATOM 0 HD13 LEU A 11 2.771 -19.990 -4.823 1.00 10.00 H new ATOM 0 HD21 LEU A 11 3.492 -18.270 -7.229 1.00 10.00 H new ATOM 0 HD22 LEU A 11 3.653 -17.806 -5.519 1.00 10.00 H new ATOM 0 HD23 LEU A 11 5.058 -17.699 -6.606 1.00 10.00 H new ATOM 184 N GLU A 12 7.670 -18.405 -2.761 1.00 10.00 N ATOM 185 CA GLU A 12 8.350 -18.444 -1.468 1.00 10.00 C ATOM 186 C GLU A 12 7.327 -18.362 -0.340 1.00 10.00 C ATOM 187 O GLU A 12 6.312 -17.682 -0.471 1.00 10.00 O ATOM 188 CB GLU A 12 9.380 -17.316 -1.358 1.00 10.00 C ATOM 189 CG GLU A 12 10.595 -17.601 -2.248 1.00 10.00 C ATOM 190 CD GLU A 12 11.360 -18.847 -1.809 1.00 10.00 C ATOM 191 OE1 GLU A 12 11.992 -18.774 -0.733 1.00 10.00 O ATOM 192 OE2 GLU A 12 11.279 -19.856 -2.543 1.00 10.00 O ATOM 0 H GLU A 12 7.141 -17.544 -2.899 1.00 10.00 H new ATOM 0 HA GLU A 12 8.886 -19.389 -1.383 1.00 10.00 H new ATOM 0 HB2 GLU A 12 8.923 -16.370 -1.650 1.00 10.00 H new ATOM 0 HB3 GLU A 12 9.700 -17.209 -0.321 1.00 10.00 H new ATOM 0 HG2 GLU A 12 10.265 -17.725 -3.279 1.00 10.00 H new ATOM 0 HG3 GLU A 12 11.265 -16.741 -2.229 1.00 10.00 H new ATOM 199 N GLU A 13 7.587 -19.068 0.762 1.00 10.00 N ATOM 200 CA GLU A 13 6.697 -19.085 1.909 1.00 10.00 C ATOM 201 C GLU A 13 6.628 -17.690 2.532 1.00 10.00 C ATOM 202 O GLU A 13 7.652 -17.038 2.735 1.00 10.00 O ATOM 203 CB GLU A 13 7.185 -20.117 2.931 1.00 10.00 C ATOM 204 CG GLU A 13 6.154 -20.315 4.050 1.00 10.00 C ATOM 205 CD GLU A 13 6.601 -21.388 5.036 1.00 10.00 C ATOM 206 OE1 GLU A 13 6.628 -22.564 4.615 1.00 10.00 O ATOM 207 OE2 GLU A 13 6.908 -21.009 6.187 1.00 10.00 O ATOM 0 H GLU A 13 8.422 -19.642 0.878 1.00 10.00 H new ATOM 0 HA GLU A 13 5.695 -19.368 1.587 1.00 10.00 H new ATOM 0 HB2 GLU A 13 7.372 -21.068 2.432 1.00 10.00 H new ATOM 0 HB3 GLU A 13 8.133 -19.790 3.359 1.00 10.00 H new ATOM 0 HG2 GLU A 13 6.003 -19.374 4.578 1.00 10.00 H new ATOM 0 HG3 GLU A 13 5.194 -20.595 3.617 1.00 10.00 H new ATOM 214 N CYS A 14 5.420 -17.244 2.873 1.00 10.00 N ATOM 215 CA CYS A 14 5.221 -15.967 3.527 1.00 10.00 C ATOM 216 C CYS A 14 5.580 -16.129 5.006 1.00 10.00 C ATOM 217 O CYS A 14 4.722 -16.413 5.845 1.00 10.00 O ATOM 218 CB CYS A 14 3.784 -15.497 3.328 1.00 10.00 C ATOM 219 SG CYS A 14 3.475 -13.828 3.972 1.00 10.00 S ATOM 0 H CYS A 14 4.558 -17.762 2.701 1.00 10.00 H new ATOM 0 HA CYS A 14 5.864 -15.201 3.094 1.00 10.00 H new ATOM 0 HB2 CYS A 14 3.547 -15.517 2.264 1.00 10.00 H new ATOM 0 HB3 CYS A 14 3.109 -16.198 3.819 1.00 10.00 H new ATOM 224 N ASP A 15 6.866 -15.942 5.312 1.00 10.00 N ATOM 225 CA ASP A 15 7.441 -16.028 6.651 1.00 10.00 C ATOM 226 C ASP A 15 6.593 -15.263 7.671 1.00 10.00 C ATOM 227 O ASP A 15 6.399 -15.731 8.793 1.00 10.00 O ATOM 228 CB ASP A 15 8.891 -15.521 6.644 1.00 10.00 C ATOM 229 CG ASP A 15 8.994 -14.008 6.456 1.00 10.00 C ATOM 230 OD1 ASP A 15 8.412 -13.517 5.463 1.00 10.00 O ATOM 231 OD2 ASP A 15 9.628 -13.367 7.321 1.00 10.00 O ATOM 0 H ASP A 15 7.562 -15.717 4.601 1.00 10.00 H new ATOM 0 HA ASP A 15 7.445 -17.075 6.952 1.00 10.00 H new ATOM 0 HB2 ASP A 15 9.372 -15.798 7.582 1.00 10.00 H new ATOM 0 HB3 ASP A 15 9.440 -16.019 5.845 1.00 10.00 H new ATOM 236 N VAL A 16 6.063 -14.107 7.258 1.00 10.00 N ATOM 237 CA VAL A 16 5.190 -13.258 8.057 1.00 10.00 C ATOM 238 C VAL A 16 4.078 -14.081 8.720 1.00 10.00 C ATOM 239 O VAL A 16 3.812 -13.894 9.904 1.00 10.00 O ATOM 240 CB VAL A 16 4.611 -12.132 7.178 1.00 10.00 C ATOM 241 CG1 VAL A 16 3.651 -11.240 7.969 1.00 10.00 C ATOM 242 CG2 VAL A 16 5.713 -11.247 6.578 1.00 10.00 C ATOM 0 H VAL A 16 6.239 -13.729 6.327 1.00 10.00 H new ATOM 0 HA VAL A 16 5.774 -12.805 8.858 1.00 10.00 H new ATOM 0 HB VAL A 16 4.071 -12.628 6.372 1.00 10.00 H new ATOM 0 HG11 VAL A 16 3.262 -10.457 7.318 1.00 10.00 H new ATOM 0 HG12 VAL A 16 2.824 -11.841 8.348 1.00 10.00 H new ATOM 0 HG13 VAL A 16 4.182 -10.786 8.805 1.00 10.00 H new ATOM 0 HG21 VAL A 16 5.260 -10.467 5.966 1.00 10.00 H new ATOM 0 HG22 VAL A 16 6.290 -10.789 7.382 1.00 10.00 H new ATOM 0 HG23 VAL A 16 6.373 -11.856 5.960 1.00 10.00 H new ATOM 252 N CYS A 17 3.450 -15.004 7.980 1.00 10.00 N ATOM 253 CA CYS A 17 2.400 -15.867 8.514 1.00 10.00 C ATOM 254 C CYS A 17 2.895 -17.290 8.734 1.00 10.00 C ATOM 255 O CYS A 17 2.096 -18.203 8.934 1.00 10.00 O ATOM 256 CB CYS A 17 1.173 -15.845 7.606 1.00 10.00 C ATOM 257 SG CYS A 17 1.421 -16.291 5.883 1.00 10.00 S ATOM 0 H CYS A 17 3.659 -15.170 6.995 1.00 10.00 H new ATOM 0 HA CYS A 17 2.113 -15.474 9.489 1.00 10.00 H new ATOM 0 HB2 CYS A 17 0.429 -16.521 8.027 1.00 10.00 H new ATOM 0 HB3 CYS A 17 0.747 -14.842 7.638 1.00 10.00 H new ATOM 262 N HIS A 18 4.212 -17.493 8.703 1.00 10.00 N ATOM 263 CA HIS A 18 4.850 -18.771 8.961 1.00 10.00 C ATOM 264 C HIS A 18 4.258 -19.860 8.055 1.00 10.00 C ATOM 265 O HIS A 18 4.122 -21.013 8.456 1.00 10.00 O ATOM 266 CB HIS A 18 4.706 -19.093 10.461 1.00 10.00 C ATOM 267 CG HIS A 18 4.701 -17.896 11.397 1.00 10.00 C ATOM 268 ND1 HIS A 18 5.389 -16.711 11.229 1.00 10.00 N ATOM 269 CD2 HIS A 18 3.844 -17.717 12.453 1.00 10.00 C ATOM 270 CE1 HIS A 18 4.959 -15.853 12.170 1.00 10.00 C ATOM 271 NE2 HIS A 18 4.016 -16.418 12.943 1.00 10.00 N ATOM 0 H HIS A 18 4.877 -16.749 8.491 1.00 10.00 H new ATOM 0 HA HIS A 18 5.913 -18.727 8.723 1.00 10.00 H new ATOM 0 HB2 HIS A 18 3.779 -19.648 10.607 1.00 10.00 H new ATOM 0 HB3 HIS A 18 5.523 -19.754 10.751 1.00 10.00 H new ATOM 0 HD1 HIS A 18 6.096 -16.521 10.519 1.00 10.00 H new ATOM 0 HD2 HIS A 18 3.155 -18.453 12.840 1.00 10.00 H new ATOM 0 HE1 HIS A 18 5.323 -14.843 12.289 1.00 10.00 H new ATOM 279 N GLY A 19 3.862 -19.480 6.834 1.00 10.00 N ATOM 280 CA GLY A 19 3.243 -20.388 5.879 1.00 10.00 C ATOM 281 C GLY A 19 1.843 -20.876 6.268 1.00 10.00 C ATOM 282 O GLY A 19 1.279 -21.691 5.544 1.00 10.00 O ATOM 0 H GLY A 19 3.966 -18.527 6.485 1.00 10.00 H new ATOM 0 HA2 GLY A 19 3.182 -19.889 4.912 1.00 10.00 H new ATOM 0 HA3 GLY A 19 3.892 -21.255 5.751 1.00 10.00 H new ATOM 286 N SER A 20 1.260 -20.399 7.376 1.00 10.00 N ATOM 287 CA SER A 20 -0.068 -20.832 7.817 1.00 10.00 C ATOM 288 C SER A 20 -1.187 -20.062 7.120 1.00 10.00 C ATOM 289 O SER A 20 -2.330 -20.517 7.082 1.00 10.00 O ATOM 290 CB SER A 20 -0.218 -20.630 9.327 1.00 10.00 C ATOM 291 OG SER A 20 -0.308 -19.250 9.645 1.00 10.00 O ATOM 0 H SER A 20 1.694 -19.707 7.987 1.00 10.00 H new ATOM 0 HA SER A 20 -0.154 -21.887 7.558 1.00 10.00 H new ATOM 0 HB2 SER A 20 -1.109 -21.148 9.681 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.634 -21.072 9.844 1.00 10.00 H new ATOM 0 HG SER A 20 0.465 -18.777 9.271 1.00 10.00 H new ATOM 297 N GLY A 21 -0.863 -18.852 6.658 1.00 10.00 N ATOM 298 CA GLY A 21 -1.819 -17.927 6.081 1.00 10.00 C ATOM 299 C GLY A 21 -2.371 -16.973 7.148 1.00 10.00 C ATOM 300 O GLY A 21 -3.039 -16.002 6.793 1.00 10.00 O ATOM 0 H GLY A 21 0.090 -18.489 6.679 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -1.342 -17.353 5.286 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -2.639 -18.482 5.625 1.00 10.00 H new ATOM 304 N ALA A 22 -2.097 -17.217 8.440 1.00 10.00 N ATOM 305 CA ALA A 22 -2.575 -16.381 9.536 1.00 10.00 C ATOM 306 C ALA A 22 -1.508 -15.385 9.978 1.00 10.00 C ATOM 307 O ALA A 22 -0.336 -15.737 10.060 1.00 10.00 O ATOM 308 CB ALA A 22 -2.988 -17.268 10.714 1.00 10.00 C ATOM 0 H ALA A 22 -1.532 -18.008 8.748 1.00 10.00 H new ATOM 0 HA ALA A 22 -3.437 -15.813 9.186 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -3.345 -16.643 11.532 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.784 -17.943 10.399 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.130 -17.850 11.050 1.00 10.00 H new ATOM 314 N LYS A 23 -1.912 -14.143 10.265 1.00 10.00 N ATOM 315 CA LYS A 23 -1.006 -13.089 10.710 1.00 10.00 C ATOM 316 C LYS A 23 -0.119 -13.561 11.888 1.00 10.00 C ATOM 317 O LYS A 23 -0.504 -14.493 12.601 1.00 10.00 O ATOM 318 CB LYS A 23 -1.820 -11.817 11.011 1.00 10.00 C ATOM 319 CG LYS A 23 -2.950 -12.057 12.020 1.00 10.00 C ATOM 320 CD LYS A 23 -3.421 -10.773 12.720 1.00 10.00 C ATOM 321 CE LYS A 23 -2.339 -10.042 13.532 1.00 10.00 C ATOM 322 NZ LYS A 23 -1.523 -10.964 14.344 1.00 10.00 N ATOM 0 H LYS A 23 -2.884 -13.843 10.193 1.00 10.00 H new ATOM 0 HA LYS A 23 -0.302 -12.844 9.915 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.152 -11.047 11.397 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -2.244 -11.435 10.082 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -3.796 -12.514 11.506 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.611 -12.770 12.772 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -3.813 -10.089 11.967 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.247 -11.022 13.386 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -1.690 -9.490 12.852 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.813 -9.309 14.186 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -1.250 -10.496 15.231 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.075 -11.818 14.559 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -0.668 -11.229 13.815 1.00 10.00 H new ATOM 336 N PRO A 24 1.066 -12.950 12.091 1.00 10.00 N ATOM 337 CA PRO A 24 2.044 -13.325 13.103 1.00 10.00 C ATOM 338 C PRO A 24 1.491 -13.979 14.370 1.00 10.00 C ATOM 339 O PRO A 24 0.655 -13.399 15.065 1.00 10.00 O ATOM 340 CB PRO A 24 2.827 -12.047 13.390 1.00 10.00 C ATOM 341 CG PRO A 24 2.935 -11.445 11.990 1.00 10.00 C ATOM 342 CD PRO A 24 1.605 -11.829 11.328 1.00 10.00 C ATOM 0 HA PRO A 24 2.670 -14.129 12.716 1.00 10.00 H new ATOM 0 HB2 PRO A 24 2.301 -11.389 14.082 1.00 10.00 H new ATOM 0 HB3 PRO A 24 3.805 -12.252 13.826 1.00 10.00 H new ATOM 0 HG2 PRO A 24 3.066 -10.364 12.028 1.00 10.00 H new ATOM 0 HG3 PRO A 24 3.787 -11.851 11.444 1.00 10.00 H new ATOM 0 HD2 PRO A 24 0.912 -10.988 11.334 1.00 10.00 H new ATOM 0 HD3 PRO A 24 1.758 -12.108 10.285 1.00 10.00 H new ATOM 350 N GLY A 25 1.969 -15.200 14.647 1.00 10.00 N ATOM 351 CA GLY A 25 1.631 -16.013 15.809 1.00 10.00 C ATOM 352 C GLY A 25 0.136 -16.181 16.100 1.00 10.00 C ATOM 353 O GLY A 25 -0.215 -16.589 17.205 1.00 10.00 O ATOM 0 H GLY A 25 2.636 -15.665 14.031 1.00 10.00 H new ATOM 0 HA2 GLY A 25 2.068 -17.002 15.675 1.00 10.00 H new ATOM 0 HA3 GLY A 25 2.104 -15.572 16.686 1.00 10.00 H new ATOM 357 N THR A 26 -0.750 -15.887 15.146 1.00 10.00 N ATOM 358 CA THR A 26 -2.184 -15.994 15.355 1.00 10.00 C ATOM 359 C THR A 26 -2.641 -17.375 14.897 1.00 10.00 C ATOM 360 O THR A 26 -2.471 -17.743 13.737 1.00 10.00 O ATOM 361 CB THR A 26 -2.869 -14.844 14.614 1.00 10.00 C ATOM 362 OG1 THR A 26 -2.265 -13.631 15.038 1.00 10.00 O ATOM 363 CG2 THR A 26 -4.369 -14.768 14.910 1.00 10.00 C ATOM 0 H THR A 26 -0.489 -15.570 14.212 1.00 10.00 H new ATOM 0 HA THR A 26 -2.455 -15.903 16.407 1.00 10.00 H new ATOM 0 HB THR A 26 -2.752 -15.011 13.543 1.00 10.00 H new ATOM 0 HG1 THR A 26 -1.305 -13.657 14.841 1.00 10.00 H new ATOM 0 HG21 THR A 26 -4.807 -13.935 14.360 1.00 10.00 H new ATOM 0 HG22 THR A 26 -4.848 -15.698 14.603 1.00 10.00 H new ATOM 0 HG23 THR A 26 -4.522 -14.617 15.979 1.00 10.00 H new ATOM 371 N GLN A 27 -3.205 -18.153 15.820 1.00 10.00 N ATOM 372 CA GLN A 27 -3.661 -19.503 15.540 1.00 10.00 C ATOM 373 C GLN A 27 -4.724 -19.509 14.423 1.00 10.00 C ATOM 374 O GLN A 27 -5.696 -18.752 14.529 1.00 10.00 O ATOM 375 CB GLN A 27 -4.156 -20.172 16.835 1.00 10.00 C ATOM 376 CG GLN A 27 -5.497 -19.686 17.413 1.00 10.00 C ATOM 377 CD GLN A 27 -5.514 -18.219 17.832 1.00 10.00 C ATOM 378 OE1 GLN A 27 -5.243 -17.890 18.981 1.00 10.00 O ATOM 379 NE2 GLN A 27 -5.819 -17.320 16.903 1.00 10.00 N ATOM 0 H GLN A 27 -3.357 -17.858 16.785 1.00 10.00 H new ATOM 0 HA GLN A 27 -2.824 -20.093 15.168 1.00 10.00 H new ATOM 0 HB2 GLN A 27 -4.236 -21.243 16.652 1.00 10.00 H new ATOM 0 HB3 GLN A 27 -3.390 -20.036 17.599 1.00 10.00 H new ATOM 0 HG2 GLN A 27 -6.278 -19.847 16.670 1.00 10.00 H new ATOM 0 HG3 GLN A 27 -5.749 -20.300 18.278 1.00 10.00 H new ATOM 0 HE21 GLN A 27 -6.041 -17.622 15.954 1.00 10.00 H new ATOM 0 HE22 GLN A 27 -5.832 -16.328 17.138 1.00 10.00 H new ATOM 388 N PRO A 28 -4.578 -20.324 13.360 1.00 10.00 N ATOM 389 CA PRO A 28 -5.576 -20.419 12.303 1.00 10.00 C ATOM 390 C PRO A 28 -6.871 -21.073 12.805 1.00 10.00 C ATOM 391 O PRO A 28 -7.018 -21.386 13.987 1.00 10.00 O ATOM 392 CB PRO A 28 -4.945 -21.273 11.199 1.00 10.00 C ATOM 393 CG PRO A 28 -3.459 -21.306 11.534 1.00 10.00 C ATOM 394 CD PRO A 28 -3.461 -21.205 13.055 1.00 10.00 C ATOM 0 HA PRO A 28 -5.850 -19.427 11.944 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -5.370 -22.277 11.184 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -5.119 -20.839 10.215 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -2.986 -22.225 11.189 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -2.921 -20.478 11.073 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -3.589 -22.184 13.518 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -2.521 -20.797 13.427 1.00 10.00 H new ATOM 402 N GLN A 29 -7.819 -21.282 11.890 1.00 10.00 N ATOM 403 CA GLN A 29 -9.108 -21.909 12.130 1.00 10.00 C ATOM 404 C GLN A 29 -9.207 -23.118 11.196 1.00 10.00 C ATOM 405 O GLN A 29 -9.109 -22.962 9.981 1.00 10.00 O ATOM 406 CB GLN A 29 -10.241 -20.909 11.836 1.00 10.00 C ATOM 407 CG GLN A 29 -10.441 -19.838 12.920 1.00 10.00 C ATOM 408 CD GLN A 29 -9.387 -18.731 12.911 1.00 10.00 C ATOM 409 OE1 GLN A 29 -9.489 -17.773 12.148 1.00 10.00 O ATOM 410 NE2 GLN A 29 -8.376 -18.844 13.763 1.00 10.00 N ATOM 0 H GLN A 29 -7.697 -21.003 10.916 1.00 10.00 H new ATOM 0 HA GLN A 29 -9.201 -22.222 13.170 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -10.035 -20.414 10.887 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -11.173 -21.461 11.712 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -11.425 -19.388 12.792 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -10.436 -20.321 13.897 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -8.320 -19.652 14.384 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -7.655 -18.123 13.797 1.00 10.00 H new ATOM 419 N THR A 30 -9.375 -24.322 11.740 1.00 10.00 N ATOM 420 CA THR A 30 -9.480 -25.563 10.986 1.00 10.00 C ATOM 421 C THR A 30 -10.491 -25.439 9.841 1.00 10.00 C ATOM 422 O THR A 30 -11.647 -25.107 10.095 1.00 10.00 O ATOM 423 CB THR A 30 -9.939 -26.647 11.973 1.00 10.00 C ATOM 424 OG1 THR A 30 -9.296 -26.432 13.219 1.00 10.00 O ATOM 425 CG2 THR A 30 -9.605 -28.044 11.454 1.00 10.00 C ATOM 0 H THR A 30 -9.443 -24.462 12.748 1.00 10.00 H new ATOM 0 HA THR A 30 -8.518 -25.810 10.537 1.00 10.00 H new ATOM 0 HB THR A 30 -11.021 -26.583 12.089 1.00 10.00 H new ATOM 0 HG1 THR A 30 -9.583 -27.118 13.858 1.00 10.00 H new ATOM 0 HG21 THR A 30 -9.942 -28.790 12.174 1.00 10.00 H new ATOM 0 HG22 THR A 30 -10.107 -28.207 10.500 1.00 10.00 H new ATOM 0 HG23 THR A 30 -8.527 -28.133 11.317 1.00 10.00 H new ATOM 433 N CYS A 31 -10.096 -25.722 8.593 1.00 10.00 N ATOM 434 CA CYS A 31 -11.038 -25.666 7.483 1.00 10.00 C ATOM 435 C CYS A 31 -12.056 -26.801 7.648 1.00 10.00 C ATOM 436 O CYS A 31 -11.656 -27.965 7.610 1.00 10.00 O ATOM 437 CB CYS A 31 -10.312 -25.821 6.146 1.00 10.00 C ATOM 438 SG CYS A 31 -11.422 -25.654 4.720 1.00 10.00 S ATOM 0 H CYS A 31 -9.145 -25.987 8.335 1.00 10.00 H new ATOM 0 HA CYS A 31 -11.541 -24.699 7.488 1.00 10.00 H new ATOM 0 HB2 CYS A 31 -9.524 -25.071 6.077 1.00 10.00 H new ATOM 0 HB3 CYS A 31 -9.828 -26.797 6.112 1.00 10.00 H new ATOM 443 N PRO A 32 -13.354 -26.516 7.821 1.00 10.00 N ATOM 444 CA PRO A 32 -14.340 -27.564 8.015 1.00 10.00 C ATOM 445 C PRO A 32 -14.543 -28.367 6.729 1.00 10.00 C ATOM 446 O PRO A 32 -14.688 -29.586 6.784 1.00 10.00 O ATOM 447 CB PRO A 32 -15.602 -26.842 8.486 1.00 10.00 C ATOM 448 CG PRO A 32 -15.488 -25.461 7.840 1.00 10.00 C ATOM 449 CD PRO A 32 -13.981 -25.202 7.852 1.00 10.00 C ATOM 0 HA PRO A 32 -14.031 -28.305 8.752 1.00 10.00 H new ATOM 0 HB2 PRO A 32 -16.505 -27.362 8.165 1.00 10.00 H new ATOM 0 HB3 PRO A 32 -15.643 -26.774 9.573 1.00 10.00 H new ATOM 0 HG2 PRO A 32 -15.891 -25.454 6.827 1.00 10.00 H new ATOM 0 HG3 PRO A 32 -16.033 -24.704 8.405 1.00 10.00 H new ATOM 0 HD2 PRO A 32 -13.680 -24.604 6.992 1.00 10.00 H new ATOM 0 HD3 PRO A 32 -13.686 -24.649 8.744 1.00 10.00 H new ATOM 457 N THR A 33 -14.532 -27.693 5.574 1.00 10.00 N ATOM 458 CA THR A 33 -14.727 -28.264 4.249 1.00 10.00 C ATOM 459 C THR A 33 -13.909 -29.540 4.014 1.00 10.00 C ATOM 460 O THR A 33 -14.408 -30.486 3.413 1.00 10.00 O ATOM 461 CB THR A 33 -14.388 -27.178 3.216 1.00 10.00 C ATOM 462 OG1 THR A 33 -14.704 -25.904 3.752 1.00 10.00 O ATOM 463 CG2 THR A 33 -15.146 -27.379 1.902 1.00 10.00 C ATOM 0 H THR A 33 -14.379 -26.685 5.543 1.00 10.00 H new ATOM 0 HA THR A 33 -15.767 -28.577 4.150 1.00 10.00 H new ATOM 0 HB THR A 33 -13.322 -27.247 2.999 1.00 10.00 H new ATOM 0 HG1 THR A 33 -13.895 -25.496 4.124 1.00 10.00 H new ATOM 0 HG21 THR A 33 -14.876 -26.589 1.202 1.00 10.00 H new ATOM 0 HG22 THR A 33 -14.884 -28.347 1.475 1.00 10.00 H new ATOM 0 HG23 THR A 33 -16.219 -27.344 2.092 1.00 10.00 H new ATOM 471 N CYS A 34 -12.659 -29.566 4.494 1.00 10.00 N ATOM 472 CA CYS A 34 -11.770 -30.720 4.385 1.00 10.00 C ATOM 473 C CYS A 34 -11.401 -31.267 5.768 1.00 10.00 C ATOM 474 O CYS A 34 -10.381 -31.939 5.912 1.00 10.00 O ATOM 475 CB CYS A 34 -10.520 -30.347 3.582 1.00 10.00 C ATOM 476 SG CYS A 34 -9.608 -28.892 4.141 1.00 10.00 S ATOM 0 H CYS A 34 -12.235 -28.773 4.975 1.00 10.00 H new ATOM 0 HA CYS A 34 -12.296 -31.513 3.854 1.00 10.00 H new ATOM 0 HB2 CYS A 34 -9.841 -31.200 3.592 1.00 10.00 H new ATOM 0 HB3 CYS A 34 -10.816 -30.187 2.545 1.00 10.00 H new ATOM 481 N HIS A 35 -12.212 -30.980 6.789 1.00 10.00 N ATOM 482 CA HIS A 35 -12.000 -31.431 8.162 1.00 10.00 C ATOM 483 C HIS A 35 -10.540 -31.236 8.605 1.00 10.00 C ATOM 484 O HIS A 35 -9.943 -32.113 9.222 1.00 10.00 O ATOM 485 CB HIS A 35 -12.449 -32.895 8.308 1.00 10.00 C ATOM 486 CG HIS A 35 -13.862 -33.198 7.864 1.00 10.00 C ATOM 487 ND1 HIS A 35 -14.834 -32.293 7.492 1.00 10.00 N ATOM 488 CD2 HIS A 35 -14.406 -34.450 7.745 1.00 10.00 C ATOM 489 CE1 HIS A 35 -15.931 -32.990 7.152 1.00 10.00 C ATOM 490 NE2 HIS A 35 -15.721 -34.309 7.292 1.00 10.00 N ATOM 0 H HIS A 35 -13.053 -30.414 6.679 1.00 10.00 H new ATOM 0 HA HIS A 35 -12.609 -30.817 8.825 1.00 10.00 H new ATOM 0 HB2 HIS A 35 -11.766 -33.523 7.736 1.00 10.00 H new ATOM 0 HB3 HIS A 35 -12.347 -33.184 9.354 1.00 10.00 H new ATOM 0 HD1 HIS A 35 -14.737 -31.278 7.478 1.00 10.00 H new ATOM 0 HD2 HIS A 35 -13.906 -35.382 7.963 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -16.857 -32.549 6.812 1.00 10.00 H new ATOM 498 N GLY A 36 -9.961 -30.078 8.281 1.00 10.00 N ATOM 499 CA GLY A 36 -8.597 -29.728 8.649 1.00 10.00 C ATOM 500 C GLY A 36 -7.487 -30.457 7.884 1.00 10.00 C ATOM 501 O GLY A 36 -6.321 -30.147 8.110 1.00 10.00 O ATOM 0 H GLY A 36 -10.437 -29.350 7.748 1.00 10.00 H new ATOM 0 HA2 GLY A 36 -8.467 -28.656 8.505 1.00 10.00 H new ATOM 0 HA3 GLY A 36 -8.467 -29.924 9.713 1.00 10.00 H new ATOM 505 N SER A 37 -7.795 -31.412 6.999 1.00 10.00 N ATOM 506 CA SER A 37 -6.750 -32.155 6.297 1.00 10.00 C ATOM 507 C SER A 37 -5.993 -31.265 5.308 1.00 10.00 C ATOM 508 O SER A 37 -4.771 -31.156 5.345 1.00 10.00 O ATOM 509 CB SER A 37 -7.357 -33.361 5.565 1.00 10.00 C ATOM 510 OG SER A 37 -8.279 -32.947 4.570 1.00 10.00 O ATOM 0 H SER A 37 -8.748 -31.684 6.756 1.00 10.00 H new ATOM 0 HA SER A 37 -6.037 -32.508 7.042 1.00 10.00 H new ATOM 0 HB2 SER A 37 -6.562 -33.949 5.106 1.00 10.00 H new ATOM 0 HB3 SER A 37 -7.859 -34.010 6.282 1.00 10.00 H new ATOM 0 HG SER A 37 -9.129 -32.703 4.993 1.00 10.00 H new ATOM 516 N GLY A 38 -6.761 -30.695 4.382 1.00 10.00 N ATOM 517 CA GLY A 38 -6.302 -29.899 3.257 1.00 10.00 C ATOM 518 C GLY A 38 -6.830 -30.466 1.937 1.00 10.00 C ATOM 519 O GLY A 38 -6.496 -29.931 0.880 1.00 10.00 O ATOM 0 H GLY A 38 -7.777 -30.784 4.402 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -6.637 -28.868 3.375 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -5.212 -29.880 3.240 1.00 10.00 H new ATOM 523 N GLN A 39 -7.660 -31.521 1.972 1.00 10.00 N ATOM 524 CA GLN A 39 -8.219 -32.139 0.777 1.00 10.00 C ATOM 525 C GLN A 39 -9.703 -32.449 0.975 1.00 10.00 C ATOM 526 O GLN A 39 -10.087 -33.048 1.979 1.00 10.00 O ATOM 527 CB GLN A 39 -7.388 -33.363 0.358 1.00 10.00 C ATOM 528 CG GLN A 39 -7.150 -34.411 1.460 1.00 10.00 C ATOM 529 CD GLN A 39 -7.966 -35.685 1.264 1.00 10.00 C ATOM 530 OE1 GLN A 39 -7.437 -36.689 0.801 1.00 10.00 O ATOM 531 NE2 GLN A 39 -9.247 -35.665 1.611 1.00 10.00 N ATOM 0 H GLN A 39 -7.959 -31.966 2.840 1.00 10.00 H new ATOM 0 HA GLN A 39 -8.162 -31.435 -0.053 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -7.887 -33.849 -0.480 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -6.420 -33.016 -0.005 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -6.091 -34.666 1.487 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -7.397 -33.974 2.427 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -9.658 -34.814 1.994 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -9.820 -36.501 1.495 1.00 10.00 H new ATOM 540 N VAL A 40 -10.528 -32.053 0.008 1.00 10.00 N ATOM 541 CA VAL A 40 -11.960 -32.300 -0.010 1.00 10.00 C ATOM 542 C VAL A 40 -12.210 -33.662 -0.652 1.00 10.00 C ATOM 543 O VAL A 40 -11.383 -34.131 -1.436 1.00 10.00 O ATOM 544 CB VAL A 40 -12.696 -31.211 -0.815 1.00 10.00 C ATOM 545 CG1 VAL A 40 -12.720 -29.880 -0.070 1.00 10.00 C ATOM 546 CG2 VAL A 40 -12.098 -30.985 -2.210 1.00 10.00 C ATOM 0 H VAL A 40 -10.203 -31.535 -0.809 1.00 10.00 H new ATOM 0 HA VAL A 40 -12.338 -32.283 1.012 1.00 10.00 H new ATOM 0 HB VAL A 40 -13.713 -31.585 -0.936 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -13.247 -29.137 -0.669 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -13.232 -30.006 0.884 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -11.698 -29.544 0.108 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -12.661 -30.207 -2.725 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -11.057 -30.677 -2.114 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -12.151 -31.911 -2.783 1.00 10.00 H new ATOM 556 N GLN A 41 -13.371 -34.254 -0.355 1.00 10.00 N ATOM 557 CA GLN A 41 -13.830 -35.506 -0.928 1.00 10.00 C ATOM 558 C GLN A 41 -15.194 -35.263 -1.570 1.00 10.00 C ATOM 559 O GLN A 41 -16.179 -35.010 -0.875 1.00 10.00 O ATOM 560 CB GLN A 41 -13.869 -36.607 0.135 1.00 10.00 C ATOM 561 CG GLN A 41 -14.165 -37.988 -0.477 1.00 10.00 C ATOM 562 CD GLN A 41 -14.159 -39.061 0.609 1.00 10.00 C ATOM 563 OE1 GLN A 41 -15.188 -39.659 0.901 1.00 10.00 O ATOM 564 NE2 GLN A 41 -13.015 -39.296 1.250 1.00 10.00 N ATOM 0 H GLN A 41 -14.032 -33.856 0.312 1.00 10.00 H new ATOM 0 HA GLN A 41 -13.138 -35.853 -1.696 1.00 10.00 H new ATOM 0 HB2 GLN A 41 -12.914 -36.640 0.659 1.00 10.00 H new ATOM 0 HB3 GLN A 41 -14.631 -36.368 0.877 1.00 10.00 H new ATOM 0 HG2 GLN A 41 -15.134 -37.972 -0.977 1.00 10.00 H new ATOM 0 HG3 GLN A 41 -13.419 -38.225 -1.236 1.00 10.00 H new ATOM 0 HE21 GLN A 41 -12.171 -38.786 0.990 1.00 10.00 H new ATOM 0 HE22 GLN A 41 -12.983 -39.986 2.001 1.00 10.00 H new ATOM 573 N MET A 42 -15.259 -35.354 -2.897 1.00 10.00 N ATOM 574 CA MET A 42 -16.483 -35.202 -3.662 1.00 10.00 C ATOM 575 C MET A 42 -17.283 -36.495 -3.501 1.00 10.00 C ATOM 576 O MET A 42 -17.340 -37.312 -4.415 1.00 10.00 O ATOM 577 CB MET A 42 -16.144 -34.923 -5.136 1.00 10.00 C ATOM 578 CG MET A 42 -15.356 -33.623 -5.366 1.00 10.00 C ATOM 579 SD MET A 42 -16.292 -32.135 -5.818 1.00 10.00 S ATOM 580 CE MET A 42 -17.318 -31.867 -4.359 1.00 10.00 C ATOM 0 H MET A 42 -14.441 -35.540 -3.478 1.00 10.00 H new ATOM 0 HA MET A 42 -17.075 -34.359 -3.305 1.00 10.00 H new ATOM 0 HB2 MET A 42 -15.566 -35.759 -5.529 1.00 10.00 H new ATOM 0 HB3 MET A 42 -17.071 -34.879 -5.708 1.00 10.00 H new ATOM 0 HG2 MET A 42 -14.798 -33.404 -4.456 1.00 10.00 H new ATOM 0 HG3 MET A 42 -14.624 -33.810 -6.152 1.00 10.00 H new ATOM 0 HE1 MET A 42 -17.720 -30.854 -4.378 1.00 10.00 H new ATOM 0 HE2 MET A 42 -18.139 -32.584 -4.355 1.00 10.00 H new ATOM 0 HE3 MET A 42 -16.715 -32.001 -3.461 1.00 10.00 H new ATOM 590 N ARG A 43 -17.867 -36.695 -2.314 1.00 10.00 N ATOM 591 CA ARG A 43 -18.629 -37.883 -1.945 1.00 10.00 C ATOM 592 C ARG A 43 -19.951 -37.978 -2.719 1.00 10.00 C ATOM 593 O ARG A 43 -21.035 -37.934 -2.139 1.00 10.00 O ATOM 594 CB ARG A 43 -18.808 -37.914 -0.419 1.00 10.00 C ATOM 595 CG ARG A 43 -19.278 -39.290 0.076 1.00 10.00 C ATOM 596 CD ARG A 43 -19.346 -39.319 1.604 1.00 10.00 C ATOM 597 NE ARG A 43 -19.848 -40.616 2.076 1.00 10.00 N ATOM 598 CZ ARG A 43 -20.020 -40.942 3.365 1.00 10.00 C ATOM 599 NH1 ARG A 43 -19.722 -40.065 4.329 1.00 10.00 N ATOM 600 NH2 ARG A 43 -20.493 -42.153 3.680 1.00 10.00 N ATOM 0 H ARG A 43 -17.818 -36.008 -1.562 1.00 10.00 H new ATOM 0 HA ARG A 43 -18.074 -38.776 -2.232 1.00 10.00 H new ATOM 0 HB2 ARG A 43 -17.864 -37.658 0.062 1.00 10.00 H new ATOM 0 HB3 ARG A 43 -19.532 -37.155 -0.123 1.00 10.00 H new ATOM 0 HG2 ARG A 43 -20.259 -39.517 -0.341 1.00 10.00 H new ATOM 0 HG3 ARG A 43 -18.595 -40.062 -0.278 1.00 10.00 H new ATOM 0 HD2 ARG A 43 -18.356 -39.133 2.021 1.00 10.00 H new ATOM 0 HD3 ARG A 43 -19.997 -38.520 1.959 1.00 10.00 H new ATOM 0 HE ARG A 43 -20.082 -41.318 1.374 1.00 10.00 H new ATOM 0 HH11 ARG A 43 -19.362 -39.142 4.085 1.00 10.00 H new ATOM 0 HH12 ARG A 43 -19.855 -40.319 5.308 1.00 10.00 H new ATOM 0 HH21 ARG A 43 -20.720 -42.820 2.942 1.00 10.00 H new ATOM 0 HH22 ARG A 43 -20.627 -42.410 4.658 1.00 10.00 H new ATOM 614 N GLN A 44 -19.873 -38.134 -4.043 1.00 10.00 N ATOM 615 CA GLN A 44 -21.023 -38.251 -4.927 1.00 10.00 C ATOM 616 C GLN A 44 -21.615 -39.665 -4.852 1.00 10.00 C ATOM 617 O GLN A 44 -21.693 -40.381 -5.853 1.00 10.00 O ATOM 618 CB GLN A 44 -20.621 -37.838 -6.350 1.00 10.00 C ATOM 619 CG GLN A 44 -19.448 -38.659 -6.916 1.00 10.00 C ATOM 620 CD GLN A 44 -19.743 -39.164 -8.324 1.00 10.00 C ATOM 621 OE1 GLN A 44 -19.058 -38.822 -9.280 1.00 10.00 O ATOM 622 NE2 GLN A 44 -20.762 -40.007 -8.457 1.00 10.00 N ATOM 0 H GLN A 44 -18.982 -38.183 -4.537 1.00 10.00 H new ATOM 0 HA GLN A 44 -21.813 -37.573 -4.606 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -21.482 -37.947 -7.009 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -20.350 -36.782 -6.351 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -18.547 -38.045 -6.930 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -19.246 -39.506 -6.260 1.00 10.00 H new ATOM 0 HE21 GLN A 44 -21.314 -40.273 -7.641 1.00 10.00 H new ATOM 0 HE22 GLN A 44 -20.992 -40.388 -9.375 1.00 10.00 H new ATOM 631 N GLY A 45 -22.030 -40.072 -3.652 1.00 10.00 N ATOM 632 CA GLY A 45 -22.629 -41.368 -3.391 1.00 10.00 C ATOM 633 C GLY A 45 -21.623 -42.518 -3.465 1.00 10.00 C ATOM 634 O GLY A 45 -21.367 -43.165 -2.453 1.00 10.00 O ATOM 0 H GLY A 45 -21.954 -39.490 -2.818 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -23.088 -41.357 -2.402 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -23.428 -41.545 -4.111 1.00 10.00 H new ATOM 638 N PHE A 46 -21.081 -42.787 -4.658 1.00 10.00 N ATOM 639 CA PHE A 46 -20.166 -43.898 -4.904 1.00 10.00 C ATOM 640 C PHE A 46 -18.730 -43.435 -5.169 1.00 10.00 C ATOM 641 O PHE A 46 -17.835 -43.730 -4.378 1.00 10.00 O ATOM 642 CB PHE A 46 -20.713 -44.769 -6.044 1.00 10.00 C ATOM 643 CG PHE A 46 -19.929 -46.048 -6.259 1.00 10.00 C ATOM 644 CD1 PHE A 46 -20.110 -47.138 -5.387 1.00 10.00 C ATOM 645 CD2 PHE A 46 -18.977 -46.132 -7.292 1.00 10.00 C ATOM 646 CE1 PHE A 46 -19.352 -48.310 -5.556 1.00 10.00 C ATOM 647 CE2 PHE A 46 -18.220 -47.303 -7.460 1.00 10.00 C ATOM 648 CZ PHE A 46 -18.408 -48.395 -6.594 1.00 10.00 C ATOM 0 H PHE A 46 -21.271 -42.228 -5.490 1.00 10.00 H new ATOM 0 HA PHE A 46 -20.111 -44.500 -3.997 1.00 10.00 H new ATOM 0 HB2 PHE A 46 -21.752 -45.021 -5.831 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -20.708 -44.190 -6.967 1.00 10.00 H new ATOM 0 HD1 PHE A 46 -20.832 -47.074 -4.587 1.00 10.00 H new ATOM 0 HD2 PHE A 46 -18.828 -45.294 -7.957 1.00 10.00 H new ATOM 0 HE1 PHE A 46 -19.495 -49.146 -4.887 1.00 10.00 H new ATOM 0 HE2 PHE A 46 -17.492 -47.365 -8.256 1.00 10.00 H new ATOM 0 HZ PHE A 46 -17.828 -49.297 -6.726 1.00 10.00 H new ATOM 658 N PHE A 47 -18.488 -42.728 -6.280 1.00 10.00 N ATOM 659 CA PHE A 47 -17.147 -42.285 -6.660 1.00 10.00 C ATOM 660 C PHE A 47 -16.673 -41.127 -5.779 1.00 10.00 C ATOM 661 O PHE A 47 -16.539 -39.998 -6.245 1.00 10.00 O ATOM 662 CB PHE A 47 -17.110 -41.909 -8.148 1.00 10.00 C ATOM 663 CG PHE A 47 -17.525 -43.027 -9.086 1.00 10.00 C ATOM 664 CD1 PHE A 47 -16.634 -44.082 -9.358 1.00 10.00 C ATOM 665 CD2 PHE A 47 -18.795 -43.011 -9.693 1.00 10.00 C ATOM 666 CE1 PHE A 47 -17.009 -45.114 -10.234 1.00 10.00 C ATOM 667 CE2 PHE A 47 -19.176 -44.051 -10.558 1.00 10.00 C ATOM 668 CZ PHE A 47 -18.283 -45.103 -10.829 1.00 10.00 C ATOM 0 H PHE A 47 -19.216 -42.449 -6.937 1.00 10.00 H new ATOM 0 HA PHE A 47 -16.456 -43.113 -6.502 1.00 10.00 H new ATOM 0 HB2 PHE A 47 -17.765 -41.053 -8.311 1.00 10.00 H new ATOM 0 HB3 PHE A 47 -16.100 -41.591 -8.405 1.00 10.00 H new ATOM 0 HD1 PHE A 47 -15.660 -44.098 -8.892 1.00 10.00 H new ATOM 0 HD2 PHE A 47 -19.478 -42.198 -9.494 1.00 10.00 H new ATOM 0 HE1 PHE A 47 -16.319 -45.916 -10.451 1.00 10.00 H new ATOM 0 HE2 PHE A 47 -20.155 -44.042 -11.015 1.00 10.00 H new ATOM 0 HZ PHE A 47 -18.576 -45.902 -11.494 1.00 10.00 H new ATOM 678 N ALA A 48 -16.423 -41.410 -4.500 1.00 10.00 N ATOM 679 CA ALA A 48 -15.996 -40.438 -3.508 1.00 10.00 C ATOM 680 C ALA A 48 -14.530 -40.031 -3.694 1.00 10.00 C ATOM 681 O ALA A 48 -13.689 -40.285 -2.835 1.00 10.00 O ATOM 682 CB ALA A 48 -16.275 -41.010 -2.116 1.00 10.00 C ATOM 0 H ALA A 48 -16.517 -42.352 -4.120 1.00 10.00 H new ATOM 0 HA ALA A 48 -16.565 -39.517 -3.633 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -15.960 -40.293 -1.358 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -17.342 -41.205 -2.010 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -15.722 -41.940 -1.987 1.00 10.00 H new ATOM 688 N VAL A 49 -14.225 -39.398 -4.827 1.00 10.00 N ATOM 689 CA VAL A 49 -12.873 -38.964 -5.158 1.00 10.00 C ATOM 690 C VAL A 49 -12.467 -37.731 -4.363 1.00 10.00 C ATOM 691 O VAL A 49 -13.319 -37.030 -3.820 1.00 10.00 O ATOM 692 CB VAL A 49 -12.705 -38.776 -6.668 1.00 10.00 C ATOM 693 CG1 VAL A 49 -12.850 -40.159 -7.296 1.00 10.00 C ATOM 694 CG2 VAL A 49 -13.698 -37.776 -7.277 1.00 10.00 C ATOM 0 H VAL A 49 -14.915 -39.172 -5.543 1.00 10.00 H new ATOM 0 HA VAL A 49 -12.186 -39.757 -4.862 1.00 10.00 H new ATOM 0 HB VAL A 49 -11.726 -38.342 -6.873 1.00 10.00 H new ATOM 0 HG11 VAL A 49 -12.738 -40.081 -8.377 1.00 10.00 H new ATOM 0 HG12 VAL A 49 -12.081 -40.822 -6.898 1.00 10.00 H new ATOM 0 HG13 VAL A 49 -13.835 -40.564 -7.061 1.00 10.00 H new ATOM 0 HG21 VAL A 49 -13.520 -37.694 -8.349 1.00 10.00 H new ATOM 0 HG22 VAL A 49 -14.717 -38.123 -7.104 1.00 10.00 H new ATOM 0 HG23 VAL A 49 -13.563 -36.800 -6.811 1.00 10.00 H new ATOM 704 N GLN A 50 -11.156 -37.493 -4.273 1.00 10.00 N ATOM 705 CA GLN A 50 -10.578 -36.433 -3.466 1.00 10.00 C ATOM 706 C GLN A 50 -9.815 -35.406 -4.294 1.00 10.00 C ATOM 707 O GLN A 50 -9.318 -35.724 -5.372 1.00 10.00 O ATOM 708 CB GLN A 50 -9.707 -37.081 -2.385 1.00 10.00 C ATOM 709 CG GLN A 50 -10.613 -37.915 -1.471 1.00 10.00 C ATOM 710 CD GLN A 50 -9.924 -38.411 -0.213 1.00 10.00 C ATOM 711 OE1 GLN A 50 -10.408 -38.156 0.889 1.00 10.00 O ATOM 712 NE2 GLN A 50 -8.819 -39.135 -0.354 1.00 10.00 N ATOM 0 H GLN A 50 -10.459 -38.046 -4.771 1.00 10.00 H new ATOM 0 HA GLN A 50 -11.379 -35.862 -2.997 1.00 10.00 H new ATOM 0 HB2 GLN A 50 -8.944 -37.712 -2.840 1.00 10.00 H new ATOM 0 HB3 GLN A 50 -9.186 -36.316 -1.808 1.00 10.00 H new ATOM 0 HG2 GLN A 50 -11.478 -37.316 -1.188 1.00 10.00 H new ATOM 0 HG3 GLN A 50 -10.988 -38.772 -2.031 1.00 10.00 H new ATOM 0 HE21 GLN A 50 -8.449 -39.325 -1.285 1.00 10.00 H new ATOM 0 HE22 GLN A 50 -8.341 -39.501 0.469 1.00 10.00 H new ATOM 721 N GLN A 51 -9.747 -34.168 -3.790 1.00 10.00 N ATOM 722 CA GLN A 51 -9.079 -33.047 -4.445 1.00 10.00 C ATOM 723 C GLN A 51 -8.491 -32.135 -3.369 1.00 10.00 C ATOM 724 O GLN A 51 -9.024 -32.089 -2.263 1.00 10.00 O ATOM 725 CB GLN A 51 -10.090 -32.206 -5.246 1.00 10.00 C ATOM 726 CG GLN A 51 -11.124 -32.987 -6.073 1.00 10.00 C ATOM 727 CD GLN A 51 -12.245 -32.068 -6.551 1.00 10.00 C ATOM 728 OE1 GLN A 51 -12.459 -31.895 -7.745 1.00 10.00 O ATOM 729 NE2 GLN A 51 -12.976 -31.478 -5.608 1.00 10.00 N ATOM 0 H GLN A 51 -10.166 -33.917 -2.895 1.00 10.00 H new ATOM 0 HA GLN A 51 -8.311 -33.442 -5.111 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -10.626 -31.561 -4.550 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -9.534 -31.555 -5.921 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -10.636 -33.448 -6.931 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -11.542 -33.795 -5.472 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -12.769 -31.645 -4.623 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -13.743 -30.859 -5.870 1.00 10.00 H new ATOM 738 N THR A 52 -7.448 -31.366 -3.685 1.00 10.00 N ATOM 739 CA THR A 52 -6.912 -30.378 -2.757 1.00 10.00 C ATOM 740 C THR A 52 -8.010 -29.360 -2.442 1.00 10.00 C ATOM 741 O THR A 52 -8.736 -28.954 -3.347 1.00 10.00 O ATOM 742 CB THR A 52 -5.724 -29.670 -3.420 1.00 10.00 C ATOM 743 OG1 THR A 52 -4.818 -30.641 -3.901 1.00 10.00 O ATOM 744 CG2 THR A 52 -5.019 -28.726 -2.442 1.00 10.00 C ATOM 0 H THR A 52 -6.959 -31.411 -4.579 1.00 10.00 H new ATOM 0 HA THR A 52 -6.580 -30.857 -1.836 1.00 10.00 H new ATOM 0 HB THR A 52 -6.095 -29.066 -4.248 1.00 10.00 H new ATOM 0 HG1 THR A 52 -4.057 -30.195 -4.328 1.00 10.00 H new ATOM 0 HG21 THR A 52 -4.182 -28.241 -2.944 1.00 10.00 H new ATOM 0 HG22 THR A 52 -5.723 -27.969 -2.096 1.00 10.00 H new ATOM 0 HG23 THR A 52 -4.650 -29.295 -1.589 1.00 10.00 H new ATOM 752 N CYS A 53 -8.138 -28.926 -1.186 1.00 10.00 N ATOM 753 CA CYS A 53 -9.140 -27.936 -0.828 1.00 10.00 C ATOM 754 C CYS A 53 -8.674 -26.559 -1.315 1.00 10.00 C ATOM 755 O CYS A 53 -7.645 -26.071 -0.836 1.00 10.00 O ATOM 756 CB CYS A 53 -9.361 -27.922 0.684 1.00 10.00 C ATOM 757 SG CYS A 53 -10.758 -26.876 1.184 1.00 10.00 S ATOM 0 H CYS A 53 -7.561 -29.246 -0.408 1.00 10.00 H new ATOM 0 HA CYS A 53 -10.088 -28.189 -1.303 1.00 10.00 H new ATOM 0 HB2 CYS A 53 -9.534 -28.941 1.030 1.00 10.00 H new ATOM 0 HB3 CYS A 53 -8.455 -27.568 1.175 1.00 10.00 H new ATOM 762 N PRO A 54 -9.398 -25.911 -2.244 1.00 10.00 N ATOM 763 CA PRO A 54 -9.002 -24.613 -2.757 1.00 10.00 C ATOM 764 C PRO A 54 -9.204 -23.526 -1.703 1.00 10.00 C ATOM 765 O PRO A 54 -8.391 -22.612 -1.608 1.00 10.00 O ATOM 766 CB PRO A 54 -9.876 -24.380 -3.993 1.00 10.00 C ATOM 767 CG PRO A 54 -11.150 -25.165 -3.683 1.00 10.00 C ATOM 768 CD PRO A 54 -10.634 -26.357 -2.876 1.00 10.00 C ATOM 0 HA PRO A 54 -7.943 -24.579 -3.014 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -10.084 -23.321 -4.143 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -9.392 -24.742 -4.900 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -11.862 -24.569 -3.112 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -11.659 -25.484 -4.593 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -11.364 -26.667 -2.129 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -10.454 -27.216 -3.522 1.00 10.00 H new ATOM 776 N HIS A 55 -10.284 -23.620 -0.916 1.00 10.00 N ATOM 777 CA HIS A 55 -10.668 -22.642 0.098 1.00 10.00 C ATOM 778 C HIS A 55 -9.519 -22.258 1.039 1.00 10.00 C ATOM 779 O HIS A 55 -9.397 -21.085 1.398 1.00 10.00 O ATOM 780 CB HIS A 55 -11.885 -23.161 0.876 1.00 10.00 C ATOM 781 CG HIS A 55 -12.584 -22.107 1.702 1.00 10.00 C ATOM 782 ND1 HIS A 55 -12.136 -20.827 1.949 1.00 10.00 N ATOM 783 CD2 HIS A 55 -13.780 -22.258 2.351 1.00 10.00 C ATOM 784 CE1 HIS A 55 -13.049 -20.223 2.728 1.00 10.00 C ATOM 785 NE2 HIS A 55 -14.067 -21.055 3.002 1.00 10.00 N ATOM 0 H HIS A 55 -10.932 -24.406 -0.973 1.00 10.00 H new ATOM 0 HA HIS A 55 -10.934 -21.721 -0.420 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -12.599 -23.587 0.171 1.00 10.00 H new ATOM 0 HB3 HIS A 55 -11.565 -23.969 1.533 1.00 10.00 H new ATOM 0 HD1 HIS A 55 -11.270 -20.414 1.604 1.00 10.00 H new ATOM 0 HD2 HIS A 55 -14.392 -23.148 2.359 1.00 10.00 H new ATOM 0 HE1 HIS A 55 -12.974 -19.207 3.085 1.00 10.00 H new ATOM 793 N CYS A 56 -8.689 -23.234 1.422 1.00 10.00 N ATOM 794 CA CYS A 56 -7.521 -23.039 2.279 1.00 10.00 C ATOM 795 C CYS A 56 -6.226 -23.361 1.524 1.00 10.00 C ATOM 796 O CYS A 56 -5.219 -23.674 2.153 1.00 10.00 O ATOM 797 CB CYS A 56 -7.650 -23.878 3.553 1.00 10.00 C ATOM 798 SG CYS A 56 -7.993 -25.630 3.296 1.00 10.00 S ATOM 0 H CYS A 56 -8.817 -24.205 1.136 1.00 10.00 H new ATOM 0 HA CYS A 56 -7.475 -21.989 2.569 1.00 10.00 H new ATOM 0 HB2 CYS A 56 -6.725 -23.786 4.123 1.00 10.00 H new ATOM 0 HB3 CYS A 56 -8.446 -23.456 4.166 1.00 10.00 H new ATOM 803 N GLN A 57 -6.246 -23.292 0.188 1.00 10.00 N ATOM 804 CA GLN A 57 -5.101 -23.510 -0.688 1.00 10.00 C ATOM 805 C GLN A 57 -4.238 -24.693 -0.223 1.00 10.00 C ATOM 806 O GLN A 57 -3.016 -24.579 -0.112 1.00 10.00 O ATOM 807 CB GLN A 57 -4.290 -22.208 -0.831 1.00 10.00 C ATOM 808 CG GLN A 57 -5.108 -20.984 -1.281 1.00 10.00 C ATOM 809 CD GLN A 57 -5.994 -20.404 -0.177 1.00 10.00 C ATOM 810 OE1 GLN A 57 -5.502 -19.881 0.817 1.00 10.00 O ATOM 811 NE2 GLN A 57 -7.308 -20.514 -0.314 1.00 10.00 N ATOM 0 H GLN A 57 -7.098 -23.073 -0.328 1.00 10.00 H new ATOM 0 HA GLN A 57 -5.470 -23.784 -1.676 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -3.821 -21.982 0.126 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -3.486 -22.374 -1.548 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -4.426 -20.210 -1.633 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -5.734 -21.266 -2.128 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -7.699 -20.952 -1.148 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -7.928 -20.160 0.415 1.00 10.00 H new ATOM 820 N GLY A 58 -4.891 -25.829 0.049 1.00 10.00 N ATOM 821 CA GLY A 58 -4.245 -27.065 0.472 1.00 10.00 C ATOM 822 C GLY A 58 -3.648 -27.075 1.885 1.00 10.00 C ATOM 823 O GLY A 58 -3.158 -28.117 2.314 1.00 10.00 O ATOM 0 H GLY A 58 -5.905 -25.910 -0.022 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -4.974 -27.872 0.404 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -3.449 -27.294 -0.237 1.00 10.00 H new ATOM 827 N ARG A 59 -3.672 -25.966 2.633 1.00 10.00 N ATOM 828 CA ARG A 59 -3.088 -25.928 3.974 1.00 10.00 C ATOM 829 C ARG A 59 -3.941 -26.674 5.000 1.00 10.00 C ATOM 830 O ARG A 59 -3.429 -27.180 5.992 1.00 10.00 O ATOM 831 CB ARG A 59 -2.934 -24.480 4.441 1.00 10.00 C ATOM 832 CG ARG A 59 -2.033 -23.656 3.518 1.00 10.00 C ATOM 833 CD ARG A 59 -1.707 -22.311 4.178 1.00 10.00 C ATOM 834 NE ARG A 59 -2.924 -21.605 4.603 1.00 10.00 N ATOM 835 CZ ARG A 59 -3.848 -21.098 3.777 1.00 10.00 C ATOM 836 NH1 ARG A 59 -3.573 -20.921 2.486 1.00 10.00 N ATOM 837 NH2 ARG A 59 -5.054 -20.757 4.234 1.00 10.00 N ATOM 0 H ARG A 59 -4.089 -25.086 2.331 1.00 10.00 H new ATOM 0 HA ARG A 59 -2.117 -26.419 3.906 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -3.917 -24.013 4.494 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -2.521 -24.470 5.450 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -1.113 -24.202 3.310 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -2.529 -23.492 2.562 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -1.062 -22.476 5.041 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -1.150 -21.688 3.478 1.00 10.00 H new ATOM 0 HE ARG A 59 -3.077 -21.492 5.605 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -2.654 -21.172 2.121 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -4.281 -20.534 1.862 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -5.279 -20.882 5.221 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -5.751 -20.372 3.596 1.00 10.00 H new ATOM 851 N GLY A 60 -5.259 -26.676 4.794 1.00 10.00 N ATOM 852 CA GLY A 60 -6.219 -27.254 5.729 1.00 10.00 C ATOM 853 C GLY A 60 -6.669 -26.232 6.778 1.00 10.00 C ATOM 854 O GLY A 60 -7.571 -26.511 7.567 1.00 10.00 O ATOM 0 H GLY A 60 -5.692 -26.271 3.964 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -7.087 -27.620 5.181 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -5.771 -28.114 6.227 1.00 10.00 H new ATOM 858 N THR A 61 -6.052 -25.047 6.798 1.00 10.00 N ATOM 859 CA THR A 61 -6.313 -23.997 7.762 1.00 10.00 C ATOM 860 C THR A 61 -6.870 -22.746 7.093 1.00 10.00 C ATOM 861 O THR A 61 -6.191 -22.134 6.269 1.00 10.00 O ATOM 862 CB THR A 61 -4.983 -23.636 8.422 1.00 10.00 C ATOM 863 OG1 THR A 61 -3.991 -23.471 7.426 1.00 10.00 O ATOM 864 CG2 THR A 61 -4.528 -24.713 9.408 1.00 10.00 C ATOM 0 H THR A 61 -5.336 -24.793 6.118 1.00 10.00 H new ATOM 0 HA THR A 61 -7.048 -24.354 8.483 1.00 10.00 H new ATOM 0 HB THR A 61 -5.127 -22.708 8.975 1.00 10.00 H new ATOM 0 HG1 THR A 61 -4.373 -22.993 6.660 1.00 10.00 H new ATOM 0 HG21 THR A 61 -3.579 -24.419 9.856 1.00 10.00 H new ATOM 0 HG22 THR A 61 -5.278 -24.830 10.191 1.00 10.00 H new ATOM 0 HG23 THR A 61 -4.403 -25.659 8.881 1.00 10.00 H new ATOM 872 N LEU A 62 -8.047 -22.315 7.535 1.00 10.00 N ATOM 873 CA LEU A 62 -8.634 -21.038 7.174 1.00 10.00 C ATOM 874 C LEU A 62 -8.179 -20.036 8.223 1.00 10.00 C ATOM 875 O LEU A 62 -7.605 -20.405 9.247 1.00 10.00 O ATOM 876 CB LEU A 62 -10.169 -21.097 7.213 1.00 10.00 C ATOM 877 CG LEU A 62 -10.814 -21.931 6.108 1.00 10.00 C ATOM 878 CD1 LEU A 62 -12.334 -21.850 6.293 1.00 10.00 C ATOM 879 CD2 LEU A 62 -10.454 -21.403 4.718 1.00 10.00 C ATOM 0 H LEU A 62 -8.630 -22.861 8.170 1.00 10.00 H new ATOM 0 HA LEU A 62 -8.325 -20.766 6.165 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -10.477 -21.500 8.178 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -10.558 -20.080 7.153 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.452 -22.957 6.178 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -12.827 -22.437 5.518 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -12.603 -22.245 7.273 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -12.655 -20.811 6.220 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -10.931 -22.022 3.959 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.801 -20.375 4.618 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -9.373 -21.435 4.585 1.00 10.00 H new ATOM 891 N ILE A 63 -8.468 -18.762 7.980 1.00 10.00 N ATOM 892 CA ILE A 63 -8.172 -17.693 8.902 1.00 10.00 C ATOM 893 C ILE A 63 -9.281 -16.670 8.710 1.00 10.00 C ATOM 894 O ILE A 63 -9.516 -16.251 7.579 1.00 10.00 O ATOM 895 CB ILE A 63 -6.804 -17.047 8.627 1.00 10.00 C ATOM 896 CG1 ILE A 63 -5.686 -17.993 8.155 1.00 10.00 C ATOM 897 CG2 ILE A 63 -6.376 -16.372 9.936 1.00 10.00 C ATOM 898 CD1 ILE A 63 -5.676 -18.250 6.642 1.00 10.00 C ATOM 0 H ILE A 63 -8.921 -18.448 7.122 1.00 10.00 H new ATOM 0 HA ILE A 63 -8.124 -18.073 9.922 1.00 10.00 H new ATOM 0 HB ILE A 63 -6.938 -16.361 7.790 1.00 10.00 H new ATOM 0 HG12 ILE A 63 -4.723 -17.574 8.447 1.00 10.00 H new ATOM 0 HG13 ILE A 63 -5.789 -18.946 8.673 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -5.406 -15.894 9.799 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -7.114 -15.620 10.216 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -6.303 -17.121 10.725 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -4.858 -18.926 6.393 1.00 10.00 H new ATOM 0 HD12 ILE A 63 -6.623 -18.700 6.343 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -5.540 -17.306 6.114 1.00 10.00 H new ATOM 910 N LYS A 64 -9.963 -16.268 9.782 1.00 10.00 N ATOM 911 CA LYS A 64 -10.990 -15.243 9.667 1.00 10.00 C ATOM 912 C LYS A 64 -10.306 -13.912 9.312 1.00 10.00 C ATOM 913 O LYS A 64 -10.824 -13.126 8.523 1.00 10.00 O ATOM 914 CB LYS A 64 -11.770 -15.132 10.982 1.00 10.00 C ATOM 915 CG LYS A 64 -12.573 -16.412 11.257 1.00 10.00 C ATOM 916 CD LYS A 64 -13.428 -16.305 12.528 1.00 10.00 C ATOM 917 CE LYS A 64 -12.574 -16.152 13.794 1.00 10.00 C ATOM 918 NZ LYS A 64 -13.403 -16.230 15.009 1.00 10.00 N ATOM 0 H LYS A 64 -9.824 -16.632 10.725 1.00 10.00 H new ATOM 0 HA LYS A 64 -11.702 -15.502 8.883 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -11.079 -14.949 11.804 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -12.445 -14.278 10.937 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -13.219 -16.623 10.405 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -11.888 -17.254 11.353 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -14.100 -15.451 12.440 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -14.052 -17.194 12.619 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -11.813 -16.932 13.819 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -12.050 -15.197 13.769 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -12.799 -16.123 15.849 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -14.113 -15.470 14.994 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -13.883 -17.152 15.043 1.00 10.00 H new ATOM 932 N ASP A 65 -9.124 -13.687 9.899 1.00 10.00 N ATOM 933 CA ASP A 65 -8.238 -12.543 9.711 1.00 10.00 C ATOM 934 C ASP A 65 -6.984 -13.005 8.942 1.00 10.00 C ATOM 935 O ASP A 65 -5.932 -13.208 9.548 1.00 10.00 O ATOM 936 CB ASP A 65 -7.891 -11.945 11.089 1.00 10.00 C ATOM 937 CG ASP A 65 -7.213 -12.917 12.058 1.00 10.00 C ATOM 938 OD1 ASP A 65 -7.726 -14.049 12.202 1.00 10.00 O ATOM 939 OD2 ASP A 65 -6.205 -12.498 12.665 1.00 10.00 O ATOM 0 H ASP A 65 -8.737 -14.353 10.567 1.00 10.00 H new ATOM 0 HA ASP A 65 -8.722 -11.763 9.123 1.00 10.00 H new ATOM 0 HB2 ASP A 65 -7.237 -11.085 10.942 1.00 10.00 H new ATOM 0 HB3 ASP A 65 -8.807 -11.574 11.550 1.00 10.00 H new ATOM 944 N PRO A 66 -7.070 -13.211 7.617 1.00 10.00 N ATOM 945 CA PRO A 66 -5.963 -13.729 6.823 1.00 10.00 C ATOM 946 C PRO A 66 -4.804 -12.742 6.670 1.00 10.00 C ATOM 947 O PRO A 66 -4.971 -11.527 6.763 1.00 10.00 O ATOM 948 CB PRO A 66 -6.570 -14.060 5.456 1.00 10.00 C ATOM 949 CG PRO A 66 -7.732 -13.078 5.342 1.00 10.00 C ATOM 950 CD PRO A 66 -8.243 -13.013 6.779 1.00 10.00 C ATOM 0 HA PRO A 66 -5.523 -14.595 7.317 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -5.848 -13.924 4.651 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -6.911 -15.094 5.407 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -7.406 -12.102 4.981 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -8.499 -13.433 4.653 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.715 -12.052 6.985 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -8.992 -13.782 6.964 1.00 10.00 H new ATOM 958 N CYS A 67 -3.616 -13.288 6.390 1.00 10.00 N ATOM 959 CA CYS A 67 -2.409 -12.521 6.141 1.00 10.00 C ATOM 960 C CYS A 67 -2.534 -11.804 4.796 1.00 10.00 C ATOM 961 O CYS A 67 -2.094 -12.317 3.763 1.00 10.00 O ATOM 962 CB CYS A 67 -1.196 -13.454 6.165 1.00 10.00 C ATOM 963 SG CYS A 67 0.404 -12.652 5.858 1.00 10.00 S ATOM 0 H CYS A 67 -3.473 -14.296 6.331 1.00 10.00 H new ATOM 0 HA CYS A 67 -2.273 -11.769 6.919 1.00 10.00 H new ATOM 0 HB2 CYS A 67 -1.156 -13.947 7.136 1.00 10.00 H new ATOM 0 HB3 CYS A 67 -1.343 -14.234 5.417 1.00 10.00 H new ATOM 968 N ASN A 68 -3.152 -10.620 4.826 1.00 10.00 N ATOM 969 CA ASN A 68 -3.377 -9.732 3.689 1.00 10.00 C ATOM 970 C ASN A 68 -2.203 -9.728 2.703 1.00 10.00 C ATOM 971 O ASN A 68 -2.424 -9.873 1.504 1.00 10.00 O ATOM 972 CB ASN A 68 -3.720 -8.311 4.168 1.00 10.00 C ATOM 973 CG ASN A 68 -2.566 -7.593 4.873 1.00 10.00 C ATOM 974 OD1 ASN A 68 -1.692 -8.221 5.464 1.00 10.00 O ATOM 975 ND2 ASN A 68 -2.546 -6.266 4.815 1.00 10.00 N ATOM 0 H ASN A 68 -3.528 -10.237 5.693 1.00 10.00 H new ATOM 0 HA ASN A 68 -4.233 -10.123 3.140 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -4.034 -7.716 3.310 1.00 10.00 H new ATOM 0 HB3 ASN A 68 -4.570 -8.364 4.848 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -1.793 -5.747 5.267 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -3.283 -5.766 4.318 1.00 10.00 H new ATOM 982 N LYS A 69 -0.971 -9.597 3.210 1.00 10.00 N ATOM 983 CA LYS A 69 0.276 -9.602 2.447 1.00 10.00 C ATOM 984 C LYS A 69 0.281 -10.656 1.333 1.00 10.00 C ATOM 985 O LYS A 69 0.794 -10.398 0.248 1.00 10.00 O ATOM 986 CB LYS A 69 1.457 -9.820 3.402 1.00 10.00 C ATOM 987 CG LYS A 69 2.804 -9.702 2.672 1.00 10.00 C ATOM 988 CD LYS A 69 3.962 -9.862 3.662 1.00 10.00 C ATOM 989 CE LYS A 69 5.314 -9.951 2.942 1.00 10.00 C ATOM 990 NZ LYS A 69 5.608 -8.732 2.167 1.00 10.00 N ATOM 0 H LYS A 69 -0.813 -9.479 4.211 1.00 10.00 H new ATOM 0 HA LYS A 69 0.370 -8.633 1.957 1.00 10.00 H new ATOM 0 HB2 LYS A 69 1.414 -9.087 4.208 1.00 10.00 H new ATOM 0 HB3 LYS A 69 1.377 -10.805 3.862 1.00 10.00 H new ATOM 0 HG2 LYS A 69 2.872 -10.464 1.896 1.00 10.00 H new ATOM 0 HG3 LYS A 69 2.872 -8.734 2.175 1.00 10.00 H new ATOM 0 HD2 LYS A 69 3.971 -9.018 4.351 1.00 10.00 H new ATOM 0 HD3 LYS A 69 3.808 -10.760 4.260 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.105 -10.115 3.674 1.00 10.00 H new ATOM 0 HE3 LYS A 69 5.314 -10.813 2.275 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 6.552 -8.813 1.738 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 4.896 -8.617 1.418 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 5.584 -7.905 2.798 1.00 10.00 H new ATOM 1004 N CYS A 70 -0.271 -11.842 1.610 1.00 10.00 N ATOM 1005 CA CYS A 70 -0.331 -12.949 0.665 1.00 10.00 C ATOM 1006 C CYS A 70 -1.762 -13.468 0.522 1.00 10.00 C ATOM 1007 O CYS A 70 -1.956 -14.641 0.207 1.00 10.00 O ATOM 1008 CB CYS A 70 0.585 -14.062 1.180 1.00 10.00 C ATOM 1009 SG CYS A 70 0.084 -14.765 2.770 1.00 10.00 S ATOM 0 H CYS A 70 -0.694 -12.058 2.513 1.00 10.00 H new ATOM 0 HA CYS A 70 -0.004 -12.611 -0.318 1.00 10.00 H new ATOM 0 HB2 CYS A 70 0.620 -14.860 0.438 1.00 10.00 H new ATOM 0 HB3 CYS A 70 1.597 -13.669 1.273 1.00 10.00 H new ATOM 1014 N HIS A 71 -2.768 -12.629 0.793 1.00 10.00 N ATOM 1015 CA HIS A 71 -4.175 -13.018 0.764 1.00 10.00 C ATOM 1016 C HIS A 71 -4.387 -14.313 1.573 1.00 10.00 C ATOM 1017 O HIS A 71 -5.180 -15.181 1.205 1.00 10.00 O ATOM 1018 CB HIS A 71 -4.630 -13.128 -0.701 1.00 10.00 C ATOM 1019 CG HIS A 71 -6.128 -13.110 -0.898 1.00 10.00 C ATOM 1020 ND1 HIS A 71 -7.033 -13.959 -0.306 1.00 10.00 N ATOM 1021 CD2 HIS A 71 -6.832 -12.258 -1.707 1.00 10.00 C ATOM 1022 CE1 HIS A 71 -8.258 -13.624 -0.745 1.00 10.00 C ATOM 1023 NE2 HIS A 71 -8.186 -12.592 -1.601 1.00 10.00 N ATOM 0 H HIS A 71 -2.622 -11.650 1.041 1.00 10.00 H new ATOM 0 HA HIS A 71 -4.797 -12.261 1.242 1.00 10.00 H new ATOM 0 HB2 HIS A 71 -4.193 -12.305 -1.266 1.00 10.00 H new ATOM 0 HB3 HIS A 71 -4.232 -14.051 -1.123 1.00 10.00 H new ATOM 0 HD1 HIS A 71 -6.814 -14.709 0.349 1.00 10.00 H new ATOM 0 HD2 HIS A 71 -6.416 -11.470 -2.317 1.00 10.00 H new ATOM 0 HE1 HIS A 71 -9.173 -14.116 -0.450 1.00 10.00 H new ATOM 1031 N GLY A 72 -3.644 -14.464 2.673 1.00 10.00 N ATOM 1032 CA GLY A 72 -3.682 -15.643 3.524 1.00 10.00 C ATOM 1033 C GLY A 72 -3.407 -16.964 2.798 1.00 10.00 C ATOM 1034 O GLY A 72 -3.790 -18.008 3.309 1.00 10.00 O ATOM 0 H GLY A 72 -2.989 -13.753 2.998 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -2.949 -15.523 4.322 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -4.662 -15.701 3.998 1.00 10.00 H new ATOM 1038 N HIS A 73 -2.744 -16.949 1.634 1.00 10.00 N ATOM 1039 CA HIS A 73 -2.423 -18.170 0.897 1.00 10.00 C ATOM 1040 C HIS A 73 -1.281 -18.938 1.565 1.00 10.00 C ATOM 1041 O HIS A 73 -1.177 -20.159 1.428 1.00 10.00 O ATOM 1042 CB HIS A 73 -2.080 -17.836 -0.557 1.00 10.00 C ATOM 1043 CG HIS A 73 -3.274 -17.398 -1.369 1.00 10.00 C ATOM 1044 ND1 HIS A 73 -4.448 -16.859 -0.888 1.00 10.00 N ATOM 1045 CD2 HIS A 73 -3.425 -17.571 -2.718 1.00 10.00 C ATOM 1046 CE1 HIS A 73 -5.282 -16.711 -1.931 1.00 10.00 C ATOM 1047 NE2 HIS A 73 -4.706 -17.135 -3.067 1.00 10.00 N ATOM 0 H HIS A 73 -2.419 -16.094 1.182 1.00 10.00 H new ATOM 0 HA HIS A 73 -3.302 -18.815 0.908 1.00 10.00 H new ATOM 0 HB2 HIS A 73 -1.329 -17.046 -0.573 1.00 10.00 H new ATOM 0 HB3 HIS A 73 -1.632 -18.711 -1.027 1.00 10.00 H new ATOM 0 HD1 HIS A 73 -4.647 -16.617 0.083 1.00 10.00 H new ATOM 0 HD2 HIS A 73 -2.685 -17.973 -3.394 1.00 10.00 H new ATOM 0 HE1 HIS A 73 -6.281 -16.306 -1.864 1.00 10.00 H new ATOM 1055 N GLY A 74 -0.417 -18.209 2.272 1.00 10.00 N ATOM 1056 CA GLY A 74 0.743 -18.745 2.965 1.00 10.00 C ATOM 1057 C GLY A 74 2.021 -18.602 2.137 1.00 10.00 C ATOM 1058 O GLY A 74 3.111 -18.845 2.650 1.00 10.00 O ATOM 0 H GLY A 74 -0.513 -17.199 2.378 1.00 10.00 H new ATOM 0 HA2 GLY A 74 0.868 -18.228 3.917 1.00 10.00 H new ATOM 0 HA3 GLY A 74 0.575 -19.797 3.193 1.00 10.00 H new ATOM 1062 N ARG A 75 1.907 -18.197 0.868 1.00 10.00 N ATOM 1063 CA ARG A 75 3.032 -18.073 -0.046 1.00 10.00 C ATOM 1064 C ARG A 75 2.908 -16.814 -0.905 1.00 10.00 C ATOM 1065 O ARG A 75 1.800 -16.346 -1.159 1.00 10.00 O ATOM 1066 CB ARG A 75 3.091 -19.350 -0.898 1.00 10.00 C ATOM 1067 CG ARG A 75 1.900 -19.468 -1.866 1.00 10.00 C ATOM 1068 CD ARG A 75 1.439 -20.918 -2.054 1.00 10.00 C ATOM 1069 NE ARG A 75 0.627 -21.360 -0.909 1.00 10.00 N ATOM 1070 CZ ARG A 75 -0.194 -22.421 -0.899 1.00 10.00 C ATOM 1071 NH1 ARG A 75 -0.179 -23.310 -1.897 1.00 10.00 N ATOM 1072 NH2 ARG A 75 -1.045 -22.578 0.116 1.00 10.00 N ATOM 0 H ARG A 75 1.013 -17.944 0.447 1.00 10.00 H new ATOM 0 HA ARG A 75 3.963 -17.967 0.511 1.00 10.00 H new ATOM 0 HB2 ARG A 75 4.020 -19.360 -1.467 1.00 10.00 H new ATOM 0 HB3 ARG A 75 3.109 -20.220 -0.242 1.00 10.00 H new ATOM 0 HG2 ARG A 75 1.069 -18.872 -1.489 1.00 10.00 H new ATOM 0 HG3 ARG A 75 2.179 -19.050 -2.833 1.00 10.00 H new ATOM 0 HD2 ARG A 75 0.858 -21.004 -2.972 1.00 10.00 H new ATOM 0 HD3 ARG A 75 2.306 -21.569 -2.164 1.00 10.00 H new ATOM 0 HE ARG A 75 0.694 -20.813 -0.050 1.00 10.00 H new ATOM 0 HH11 ARG A 75 0.463 -23.187 -2.680 1.00 10.00 H new ATOM 0 HH12 ARG A 75 -0.809 -24.112 -1.875 1.00 10.00 H new ATOM 0 HH21 ARG A 75 -1.067 -21.895 0.874 1.00 10.00 H new ATOM 0 HH22 ARG A 75 -1.674 -23.381 0.135 1.00 10.00 H new ATOM 1086 N VAL A 76 4.048 -16.293 -1.361 1.00 10.00 N ATOM 1087 CA VAL A 76 4.196 -15.144 -2.245 1.00 10.00 C ATOM 1088 C VAL A 76 5.077 -15.592 -3.414 1.00 10.00 C ATOM 1089 O VAL A 76 5.598 -16.704 -3.394 1.00 10.00 O ATOM 1090 CB VAL A 76 4.810 -13.948 -1.492 1.00 10.00 C ATOM 1091 CG1 VAL A 76 3.840 -13.420 -0.432 1.00 10.00 C ATOM 1092 CG2 VAL A 76 6.153 -14.288 -0.828 1.00 10.00 C ATOM 0 H VAL A 76 4.951 -16.692 -1.103 1.00 10.00 H new ATOM 0 HA VAL A 76 3.228 -14.805 -2.613 1.00 10.00 H new ATOM 0 HB VAL A 76 4.996 -13.179 -2.242 1.00 10.00 H new ATOM 0 HG11 VAL A 76 4.293 -12.576 0.088 1.00 10.00 H new ATOM 0 HG12 VAL A 76 2.917 -13.097 -0.913 1.00 10.00 H new ATOM 0 HG13 VAL A 76 3.618 -14.211 0.285 1.00 10.00 H new ATOM 0 HG21 VAL A 76 6.537 -13.408 -0.313 1.00 10.00 H new ATOM 0 HG22 VAL A 76 6.010 -15.095 -0.110 1.00 10.00 H new ATOM 0 HG23 VAL A 76 6.866 -14.603 -1.590 1.00 10.00 H new ATOM 1102 N GLU A 77 5.261 -14.754 -4.435 1.00 10.00 N ATOM 1103 CA GLU A 77 6.080 -15.120 -5.585 1.00 10.00 C ATOM 1104 C GLU A 77 7.576 -15.005 -5.267 1.00 10.00 C ATOM 1105 O GLU A 77 8.004 -14.051 -4.612 1.00 10.00 O ATOM 1106 CB GLU A 77 5.635 -14.315 -6.809 1.00 10.00 C ATOM 1107 CG GLU A 77 6.443 -14.647 -8.070 1.00 10.00 C ATOM 1108 CD GLU A 77 5.912 -13.890 -9.282 1.00 10.00 C ATOM 1109 OE1 GLU A 77 4.835 -14.292 -9.774 1.00 10.00 O ATOM 1110 OE2 GLU A 77 6.588 -12.921 -9.691 1.00 10.00 O ATOM 0 H GLU A 77 4.854 -13.820 -4.487 1.00 10.00 H new ATOM 0 HA GLU A 77 5.928 -16.172 -5.828 1.00 10.00 H new ATOM 0 HB2 GLU A 77 4.579 -14.507 -6.999 1.00 10.00 H new ATOM 0 HB3 GLU A 77 5.731 -13.251 -6.592 1.00 10.00 H new ATOM 0 HG2 GLU A 77 7.491 -14.393 -7.910 1.00 10.00 H new ATOM 0 HG3 GLU A 77 6.400 -15.719 -8.261 1.00 10.00 H new ATOM 1117 N ARG A 78 8.363 -15.972 -5.759 1.00 10.00 N ATOM 1118 CA ARG A 78 9.817 -16.077 -5.624 1.00 10.00 C ATOM 1119 C ARG A 78 10.455 -14.992 -6.494 1.00 10.00 C ATOM 1120 O ARG A 78 11.082 -15.254 -7.518 1.00 10.00 O ATOM 1121 CB ARG A 78 10.239 -17.507 -6.011 1.00 10.00 C ATOM 1122 CG ARG A 78 11.712 -17.883 -5.802 1.00 10.00 C ATOM 1123 CD ARG A 78 11.941 -19.349 -6.214 1.00 10.00 C ATOM 1124 NE ARG A 78 11.137 -20.277 -5.401 1.00 10.00 N ATOM 1125 CZ ARG A 78 10.643 -21.467 -5.782 1.00 10.00 C ATOM 1126 NH1 ARG A 78 10.951 -22.012 -6.963 1.00 10.00 N ATOM 1127 NH2 ARG A 78 9.808 -22.108 -4.960 1.00 10.00 N ATOM 0 H ARG A 78 7.974 -16.748 -6.294 1.00 10.00 H new ATOM 0 HA ARG A 78 10.156 -15.912 -4.601 1.00 10.00 H new ATOM 0 HB2 ARG A 78 9.627 -18.206 -5.440 1.00 10.00 H new ATOM 0 HB3 ARG A 78 9.998 -17.658 -7.063 1.00 10.00 H new ATOM 0 HG2 ARG A 78 12.351 -17.226 -6.392 1.00 10.00 H new ATOM 0 HG3 ARG A 78 11.988 -17.742 -4.757 1.00 10.00 H new ATOM 0 HD2 ARG A 78 11.688 -19.475 -7.267 1.00 10.00 H new ATOM 0 HD3 ARG A 78 12.998 -19.595 -6.109 1.00 10.00 H new ATOM 0 HE ARG A 78 10.933 -19.985 -4.445 1.00 10.00 H new ATOM 0 HH11 ARG A 78 11.577 -21.523 -7.603 1.00 10.00 H new ATOM 0 HH12 ARG A 78 10.560 -22.917 -7.224 1.00 10.00 H new ATOM 0 HH21 ARG A 78 9.557 -21.693 -4.063 1.00 10.00 H new ATOM 0 HH22 ARG A 78 9.421 -23.013 -5.230 1.00 10.00 H new ATOM 1141 N SER A 79 10.244 -13.748 -6.077 1.00 10.00 N ATOM 1142 CA SER A 79 10.663 -12.542 -6.757 1.00 10.00 C ATOM 1143 C SER A 79 12.188 -12.467 -6.834 1.00 10.00 C ATOM 1144 O SER A 79 12.812 -11.712 -6.091 1.00 10.00 O ATOM 1145 CB SER A 79 10.039 -11.352 -6.018 1.00 10.00 C ATOM 1146 OG SER A 79 8.635 -11.536 -5.899 1.00 10.00 O ATOM 0 H SER A 79 9.749 -13.551 -5.208 1.00 10.00 H new ATOM 0 HA SER A 79 10.318 -12.532 -7.791 1.00 10.00 H new ATOM 0 HB2 SER A 79 10.486 -11.253 -5.029 1.00 10.00 H new ATOM 0 HB3 SER A 79 10.249 -10.428 -6.557 1.00 10.00 H new ATOM 0 HG SER A 79 8.454 -12.310 -5.325 1.00 10.00 H new TER 1152 SER A 79 HETATM 1153 ZN ZN A 80 1.346 -14.365 4.638 1.00 10.00 ZN HETATM 1154 ZN ZN A 81 -9.974 -26.774 3.337 1.00 10.00 ZN