USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 0 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 53 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= -0.0437 USER MOD Single : A 1 MET CE :methyl 150:sc= -0.268 (180deg=-1.41!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 170:sc= -0.252 USER MOD Single : A 8 THR OG1 : rot 167:sc= 0.884 USER MOD Single : A 11 GLN : amide:sc= -2.77! C(o=-2.8!,f=-8.6!) USER MOD Single : A 14 GLN : amide:sc= -0.0784 X(o=-0.078,f=0) USER MOD Single : A 15 SER OG : rot -112:sc= 0.168! USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0445 F(o=-0.84,f=-0.044) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.117 K(o=-0.12,f=-0.97) USER MOD Single : A 51 ASN : amide:sc= -7.31! C(o=-7.3!,f=-14!) USER MOD Single : A 57 ASN : amide:sc= -2.31! C(o=-2.3!,f=-8.9!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.8 X(o=-0.8,f=-1) USER MOD Single : A 76 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0893) USER MOD Single : A 78 ASN : amide:sc= -1.16 X(o=-1.2,f=-0.75) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.036) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 CYS SG : rot 180:sc= -0.0441 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.652 19.838 -17.715 1.00 0.00 N ATOM 2 CA MET A 1 22.686 18.820 -17.876 1.00 0.00 C ATOM 3 C MET A 1 22.131 17.589 -18.554 1.00 0.00 C ATOM 4 O MET A 1 22.197 17.435 -19.781 1.00 0.00 O ATOM 5 CB MET A 1 23.296 18.464 -16.493 1.00 0.00 C ATOM 6 CG MET A 1 24.258 17.256 -16.472 1.00 0.00 C ATOM 7 SD MET A 1 24.781 16.922 -14.782 1.00 0.00 S ATOM 8 CE MET A 1 23.194 16.409 -14.110 1.00 0.00 C ATOM 0 H1 MET A 1 22.057 20.674 -17.247 1.00 0.00 H new ATOM 0 H2 MET A 1 21.283 20.109 -18.649 1.00 0.00 H new ATOM 0 H3 MET A 1 20.878 19.458 -17.134 1.00 0.00 H new ATOM 0 HA MET A 1 23.474 19.220 -18.514 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.831 19.337 -16.118 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.480 18.267 -15.797 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.764 16.379 -16.890 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.127 17.460 -17.098 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.354 15.689 -13.307 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.667 17.279 -13.718 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.598 15.948 -14.897 1.00 0.00 H new ATOM 9 N LYS A 2 21.513 16.577 -17.670 1.00 0.00 N ATOM 10 CA LYS A 2 20.870 15.377 -18.198 1.00 0.00 C ATOM 11 C LYS A 2 19.368 15.463 -18.060 1.00 0.00 C ATOM 12 O LYS A 2 18.623 15.528 -19.047 1.00 0.00 O ATOM 13 CB LYS A 2 21.425 14.127 -17.462 1.00 0.00 C ATOM 14 CG LYS A 2 22.622 13.465 -18.188 1.00 0.00 C ATOM 15 CD LYS A 2 22.244 12.584 -19.382 1.00 0.00 C ATOM 16 CE LYS A 2 23.421 11.659 -19.721 1.00 0.00 C ATOM 17 NZ LYS A 2 23.214 10.347 -19.082 1.00 0.00 N ATOM 0 H LYS A 2 21.495 16.648 -16.653 1.00 0.00 H new ATOM 0 HA LYS A 2 21.095 15.292 -19.261 1.00 0.00 H new ATOM 0 HB2 LYS A 2 21.733 14.414 -16.457 1.00 0.00 H new ATOM 0 HB3 LYS A 2 20.626 13.394 -17.353 1.00 0.00 H new ATOM 0 HG2 LYS A 2 23.298 14.248 -18.532 1.00 0.00 H new ATOM 0 HG3 LYS A 2 23.175 12.860 -17.469 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.358 11.994 -19.147 1.00 0.00 H new ATOM 0 HD3 LYS A 2 21.995 13.205 -20.242 1.00 0.00 H new ATOM 0 HE2 LYS A 2 23.505 11.540 -20.801 1.00 0.00 H new ATOM 0 HE3 LYS A 2 24.356 12.100 -19.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 24.011 9.720 -19.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 23.154 10.469 -18.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 22.330 9.926 -19.432 1.00 0.00 H new ATOM 18 N LYS A 3 18.839 15.494 -16.678 1.00 0.00 N ATOM 19 CA LYS A 3 17.411 15.614 -16.400 1.00 0.00 C ATOM 20 C LYS A 3 17.143 16.739 -15.428 1.00 0.00 C ATOM 21 O LYS A 3 17.834 16.905 -14.414 1.00 0.00 O ATOM 22 CB LYS A 3 16.876 14.264 -15.848 1.00 0.00 C ATOM 23 CG LYS A 3 17.005 14.131 -14.310 1.00 0.00 C ATOM 24 CD LYS A 3 18.434 13.933 -13.798 1.00 0.00 C ATOM 25 CE LYS A 3 19.008 12.638 -14.388 1.00 0.00 C ATOM 26 NZ LYS A 3 20.254 12.288 -13.683 1.00 0.00 N ATOM 0 H LYS A 3 19.425 15.435 -15.845 1.00 0.00 H new ATOM 0 HA LYS A 3 16.888 15.851 -17.326 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.828 14.156 -16.127 1.00 0.00 H new ATOM 0 HB3 LYS A 3 17.418 13.446 -16.322 1.00 0.00 H new ATOM 0 HG2 LYS A 3 16.589 15.026 -13.846 1.00 0.00 H new ATOM 0 HG3 LYS A 3 16.396 13.289 -13.980 1.00 0.00 H new ATOM 0 HD2 LYS A 3 19.055 14.782 -14.082 1.00 0.00 H new ATOM 0 HD3 LYS A 3 18.439 13.884 -12.709 1.00 0.00 H new ATOM 0 HE2 LYS A 3 18.283 11.829 -14.292 1.00 0.00 H new ATOM 0 HE3 LYS A 3 19.203 12.766 -15.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 20.644 11.410 -14.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 20.945 13.057 -13.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 20.054 12.149 -12.672 1.00 0.00 H new ATOM 27 N ALA A 4 15.993 17.616 -15.743 1.00 0.00 N ATOM 28 CA ALA A 4 15.636 18.753 -14.899 1.00 0.00 C ATOM 29 C ALA A 4 15.329 18.305 -13.490 1.00 0.00 C ATOM 30 O ALA A 4 16.210 18.235 -12.622 1.00 0.00 O ATOM 31 CB ALA A 4 14.455 19.481 -15.564 1.00 0.00 C ATOM 0 H ALA A 4 15.386 17.488 -16.553 1.00 0.00 H new ATOM 0 HA ALA A 4 16.472 19.446 -14.810 1.00 0.00 H new ATOM 0 HB1 ALA A 4 14.166 20.337 -14.955 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.751 19.825 -16.555 1.00 0.00 H new ATOM 0 HB3 ALA A 4 13.611 18.798 -15.654 1.00 0.00 H new ATOM 32 N THR A 5 13.917 17.973 -13.200 1.00 0.00 N ATOM 33 CA THR A 5 13.507 17.372 -11.934 1.00 0.00 C ATOM 34 C THR A 5 13.058 15.944 -12.135 1.00 0.00 C ATOM 35 O THR A 5 13.235 15.350 -13.208 1.00 0.00 O ATOM 36 CB THR A 5 12.375 18.220 -11.263 1.00 0.00 C ATOM 37 OG1 THR A 5 11.252 18.326 -12.129 1.00 0.00 O ATOM 38 CG2 THR A 5 12.731 19.681 -10.912 1.00 0.00 C ATOM 0 H THR A 5 13.151 18.139 -13.852 1.00 0.00 H new ATOM 0 HA THR A 5 14.369 17.363 -11.268 1.00 0.00 H new ATOM 0 HB THR A 5 12.188 17.674 -10.339 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.553 18.857 -11.694 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.869 20.165 -10.454 1.00 0.00 H new ATOM 0 HG22 THR A 5 13.568 19.694 -10.214 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.008 20.216 -11.820 1.00 0.00 H new ATOM 39 N CYS A 6 12.430 15.282 -10.971 1.00 0.00 N ATOM 40 CA CYS A 6 11.851 13.945 -11.062 1.00 0.00 C ATOM 41 C CYS A 6 11.087 13.774 -12.354 1.00 0.00 C ATOM 42 O CYS A 6 10.570 14.738 -12.937 1.00 0.00 O ATOM 43 CB CYS A 6 10.969 13.703 -9.821 1.00 0.00 C ATOM 44 SG CYS A 6 11.987 13.331 -8.375 1.00 0.00 S ATOM 0 H CYS A 6 12.361 15.707 -10.046 1.00 0.00 H new ATOM 0 HA CYS A 6 12.642 13.195 -11.076 1.00 0.00 H new ATOM 0 HB2 CYS A 6 10.359 14.585 -9.625 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.284 12.877 -10.011 1.00 0.00 H new ATOM 0 HG CYS A 6 11.245 13.343 -7.307 1.00 0.00 H new ATOM 45 N LEU A 7 10.957 12.392 -12.863 1.00 0.00 N ATOM 46 CA LEU A 7 10.393 12.103 -14.178 1.00 0.00 C ATOM 47 C LEU A 7 8.890 12.246 -14.175 1.00 0.00 C ATOM 48 O LEU A 7 8.332 13.258 -14.626 1.00 0.00 O ATOM 49 CB LEU A 7 10.815 10.685 -14.658 1.00 0.00 C ATOM 50 CG LEU A 7 11.097 10.482 -16.172 1.00 0.00 C ATOM 51 CD1 LEU A 7 9.781 10.251 -16.927 1.00 0.00 C ATOM 52 CD2 LEU A 7 11.854 11.664 -16.799 1.00 0.00 C ATOM 0 H LEU A 7 11.247 11.565 -12.340 1.00 0.00 H new ATOM 0 HA LEU A 7 10.792 12.835 -14.880 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.713 10.400 -14.110 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.030 9.987 -14.368 1.00 0.00 H new ATOM 0 HG LEU A 7 11.737 9.604 -16.260 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.990 10.110 -17.987 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.287 9.363 -16.533 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.130 11.116 -16.797 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.023 11.467 -17.858 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.264 12.574 -16.689 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.812 11.790 -16.296 1.00 0.00 H new ATOM 53 N THR A 8 8.117 11.117 -13.612 1.00 0.00 N ATOM 54 CA THR A 8 6.661 11.058 -13.706 1.00 0.00 C ATOM 55 C THR A 8 6.059 10.301 -12.546 1.00 0.00 C ATOM 56 O THR A 8 6.706 9.464 -11.903 1.00 0.00 O ATOM 57 CB THR A 8 6.225 10.416 -15.068 1.00 0.00 C ATOM 58 OG1 THR A 8 7.078 9.328 -15.400 1.00 0.00 O ATOM 59 CG2 THR A 8 6.274 11.338 -16.305 1.00 0.00 C ATOM 0 H THR A 8 8.540 10.323 -13.132 1.00 0.00 H new ATOM 0 HA THR A 8 6.285 12.080 -13.663 1.00 0.00 H new ATOM 0 HB THR A 8 5.188 10.140 -14.879 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.675 8.806 -16.125 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.951 10.783 -17.186 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.612 12.190 -16.150 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.294 11.693 -16.454 1.00 0.00 H new ATOM 60 N ASP A 9 4.662 10.648 -12.197 1.00 0.00 N ATOM 61 CA ASP A 9 3.900 9.882 -11.216 1.00 0.00 C ATOM 62 C ASP A 9 3.943 8.405 -11.537 1.00 0.00 C ATOM 63 O ASP A 9 3.681 7.546 -10.685 1.00 0.00 O ATOM 64 CB ASP A 9 2.444 10.409 -11.126 1.00 0.00 C ATOM 65 CG ASP A 9 1.424 9.784 -12.089 1.00 0.00 C ATOM 66 OD1 ASP A 9 0.845 8.733 -11.856 1.00 0.00 O ATOM 67 OD2 ASP A 9 1.258 10.513 -13.233 1.00 0.00 O ATOM 0 H ASP A 9 4.151 11.428 -12.610 1.00 0.00 H new ATOM 0 HA ASP A 9 4.360 10.015 -10.237 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.089 10.255 -10.107 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.460 11.485 -11.299 1.00 0.00 H new ATOM 68 N ASP A 10 4.277 8.045 -12.933 1.00 0.00 N ATOM 69 CA ASP A 10 4.282 6.659 -13.391 1.00 0.00 C ATOM 70 C ASP A 10 5.486 5.916 -12.862 1.00 0.00 C ATOM 71 O ASP A 10 5.389 4.759 -12.422 1.00 0.00 O ATOM 72 CB ASP A 10 4.185 6.596 -14.937 1.00 0.00 C ATOM 73 CG ASP A 10 5.502 6.692 -15.721 1.00 0.00 C ATOM 74 OD1 ASP A 10 6.473 5.989 -15.483 1.00 0.00 O ATOM 75 OD2 ASP A 10 5.456 7.624 -16.720 1.00 0.00 O ATOM 0 H ASP A 10 4.521 8.726 -13.652 1.00 0.00 H new ATOM 0 HA ASP A 10 3.402 6.157 -12.990 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.696 5.660 -15.208 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.533 7.404 -15.269 1.00 0.00 H new ATOM 76 N GLN A 11 6.776 6.641 -12.855 1.00 0.00 N ATOM 77 CA GLN A 11 7.977 6.064 -12.253 1.00 0.00 C ATOM 78 C GLN A 11 7.768 5.822 -10.775 1.00 0.00 C ATOM 79 O GLN A 11 8.030 4.740 -10.234 1.00 0.00 O ATOM 80 CB GLN A 11 9.162 7.022 -12.496 1.00 0.00 C ATOM 81 CG GLN A 11 10.210 7.138 -11.339 1.00 0.00 C ATOM 82 CD GLN A 11 11.705 7.115 -11.680 1.00 0.00 C ATOM 83 OE1 GLN A 11 12.548 6.946 -10.813 1.00 0.00 O ATOM 84 NE2 GLN A 11 12.097 7.284 -12.917 1.00 0.00 N ATOM 0 H GLN A 11 6.911 7.568 -13.259 1.00 0.00 H new ATOM 0 HA GLN A 11 8.193 5.100 -12.713 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.683 6.700 -13.398 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.762 8.016 -12.696 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.009 8.067 -10.806 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.020 6.323 -10.641 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.408 7.427 -13.655 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.092 7.273 -13.143 1.00 0.00 H new ATOM 85 N ARG A 12 7.193 6.953 -10.014 1.00 0.00 N ATOM 86 CA ARG A 12 6.764 6.857 -8.626 1.00 0.00 C ATOM 87 C ARG A 12 6.032 5.569 -8.331 1.00 0.00 C ATOM 88 O ARG A 12 6.495 4.627 -7.654 1.00 0.00 O ATOM 89 CB ARG A 12 5.817 8.071 -8.338 1.00 0.00 C ATOM 90 CG ARG A 12 6.495 9.323 -7.732 1.00 0.00 C ATOM 91 CD ARG A 12 8.016 9.345 -7.935 1.00 0.00 C ATOM 92 NE ARG A 12 8.493 10.732 -7.700 1.00 0.00 N ATOM 93 CZ ARG A 12 8.371 11.742 -8.550 1.00 0.00 C ATOM 94 NH1 ARG A 12 7.816 11.651 -9.723 1.00 0.00 N ATOM 95 NH2 ARG A 12 8.833 12.885 -8.185 1.00 0.00 N ATOM 0 H ARG A 12 7.059 7.881 -10.417 1.00 0.00 H new ATOM 0 HA ARG A 12 7.647 6.870 -7.988 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.332 8.359 -9.271 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.031 7.742 -7.659 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.062 10.216 -8.182 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.277 9.366 -6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.502 8.654 -7.247 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.270 9.021 -8.944 1.00 0.00 H new ATOM 0 HE ARG A 12 8.953 10.923 -6.810 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.439 10.758 -10.041 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.757 12.473 -10.325 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.273 12.989 -7.271 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.759 13.688 -8.810 1.00 0.00 H new ATOM 96 N TRP A 13 4.651 5.496 -8.884 1.00 0.00 N ATOM 97 CA TRP A 13 3.747 4.421 -8.504 1.00 0.00 C ATOM 98 C TRP A 13 4.210 3.099 -9.064 1.00 0.00 C ATOM 99 O TRP A 13 3.875 2.023 -8.539 1.00 0.00 O ATOM 100 CB TRP A 13 2.301 4.742 -9.000 1.00 0.00 C ATOM 101 CG TRP A 13 1.454 3.455 -8.999 1.00 0.00 C ATOM 102 CD1 TRP A 13 1.153 2.668 -10.127 1.00 0.00 C ATOM 103 CD2 TRP A 13 0.946 2.786 -7.908 1.00 0.00 C ATOM 104 NE1 TRP A 13 0.452 1.501 -9.762 1.00 0.00 N ATOM 105 CE2 TRP A 13 0.343 1.594 -8.381 1.00 0.00 C ATOM 106 CE3 TRP A 13 0.978 3.086 -6.521 1.00 0.00 C ATOM 107 CZ2 TRP A 13 -0.237 0.693 -7.460 1.00 0.00 C ATOM 108 CZ3 TRP A 13 0.383 2.187 -5.636 1.00 0.00 C ATOM 109 CH2 TRP A 13 -0.218 1.008 -6.098 1.00 0.00 C ATOM 0 H TRP A 13 4.260 6.170 -9.542 1.00 0.00 H new ATOM 0 HA TRP A 13 3.744 4.343 -7.417 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.843 5.491 -8.354 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.336 5.165 -10.004 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.424 2.925 -11.140 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.105 0.760 -10.371 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.451 3.987 -6.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.689 -0.226 -7.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.385 2.403 -4.578 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.674 0.332 -5.390 1.00 0.00 H new ATOM 110 N GLN A 14 5.044 3.134 -10.289 1.00 0.00 N ATOM 111 CA GLN A 14 5.698 1.927 -10.793 1.00 0.00 C ATOM 112 C GLN A 14 6.592 1.349 -9.712 1.00 0.00 C ATOM 113 O GLN A 14 6.686 0.130 -9.519 1.00 0.00 O ATOM 114 CB GLN A 14 6.513 2.258 -12.058 1.00 0.00 C ATOM 115 CG GLN A 14 7.469 1.132 -12.579 1.00 0.00 C ATOM 116 CD GLN A 14 8.195 1.316 -13.917 1.00 0.00 C ATOM 117 OE1 GLN A 14 9.267 0.773 -14.134 1.00 0.00 O ATOM 118 NE2 GLN A 14 7.662 2.058 -14.855 1.00 0.00 N ATOM 0 H GLN A 14 5.213 3.973 -10.844 1.00 0.00 H new ATOM 0 HA GLN A 14 4.944 1.186 -11.058 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.817 2.513 -12.857 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.109 3.148 -11.858 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.229 0.970 -11.815 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.885 0.214 -12.648 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.767 2.520 -14.693 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.142 2.174 -15.748 1.00 0.00 H new ATOM 119 N SER A 15 7.368 2.342 -8.931 1.00 0.00 N ATOM 120 CA SER A 15 8.124 1.958 -7.743 1.00 0.00 C ATOM 121 C SER A 15 7.254 1.140 -6.812 1.00 0.00 C ATOM 122 O SER A 15 7.724 0.194 -6.162 1.00 0.00 O ATOM 123 CB SER A 15 8.743 3.183 -7.028 1.00 0.00 C ATOM 124 OG SER A 15 9.170 2.893 -5.692 1.00 0.00 O ATOM 0 H SER A 15 7.424 3.333 -9.165 1.00 0.00 H new ATOM 0 HA SER A 15 8.961 1.336 -8.061 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.594 3.542 -7.606 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.011 3.990 -7.003 1.00 0.00 H new ATOM 0 HG SER A 15 8.600 3.372 -5.055 1.00 0.00 H new ATOM 125 N VAL A 16 5.826 1.556 -6.692 1.00 0.00 N ATOM 126 CA VAL A 16 4.883 0.718 -5.954 1.00 0.00 C ATOM 127 C VAL A 16 4.651 -0.628 -6.593 1.00 0.00 C ATOM 128 O VAL A 16 4.824 -1.701 -5.955 1.00 0.00 O ATOM 129 CB VAL A 16 3.525 1.449 -5.634 1.00 0.00 C ATOM 130 CG1 VAL A 16 2.785 0.967 -4.343 1.00 0.00 C ATOM 131 CG2 VAL A 16 3.659 2.979 -5.456 1.00 0.00 C ATOM 0 H VAL A 16 5.431 2.406 -7.094 1.00 0.00 H new ATOM 0 HA VAL A 16 5.371 0.527 -4.998 1.00 0.00 H new ATOM 0 HB VAL A 16 2.951 1.187 -6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.864 1.536 -4.218 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.548 -0.093 -4.434 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.427 1.122 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.680 3.407 -5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.339 3.191 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.052 3.419 -6.373 1.00 0.00 H new ATOM 132 N LEU A 17 4.162 -0.670 -7.986 1.00 0.00 N ATOM 133 CA LEU A 17 3.740 -1.927 -8.637 1.00 0.00 C ATOM 134 C LEU A 17 4.740 -3.015 -8.341 1.00 0.00 C ATOM 135 O LEU A 17 4.421 -4.147 -7.955 1.00 0.00 O ATOM 136 CB LEU A 17 3.595 -1.724 -10.172 1.00 0.00 C ATOM 137 CG LEU A 17 2.322 -0.985 -10.676 1.00 0.00 C ATOM 138 CD1 LEU A 17 2.129 -1.225 -12.178 1.00 0.00 C ATOM 139 CD2 LEU A 17 1.056 -1.414 -9.916 1.00 0.00 C ATOM 0 H LEU A 17 4.084 0.154 -8.582 1.00 0.00 H new ATOM 0 HA LEU A 17 2.769 -2.222 -8.240 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.467 -1.172 -10.523 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.626 -2.705 -10.647 1.00 0.00 H new ATOM 0 HG LEU A 17 2.475 0.078 -10.488 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.235 -0.703 -12.518 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.997 -0.850 -12.721 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.018 -2.293 -12.364 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.196 -0.870 -10.305 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.898 -2.484 -10.048 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.176 -1.193 -8.855 1.00 0.00 H new ATOM 140 N ALA A 18 6.163 -2.614 -8.511 1.00 0.00 N ATOM 141 CA ALA A 18 7.270 -3.539 -8.312 1.00 0.00 C ATOM 142 C ALA A 18 7.253 -4.157 -6.934 1.00 0.00 C ATOM 143 O ALA A 18 6.573 -5.162 -6.680 1.00 0.00 O ATOM 144 CB ALA A 18 8.576 -2.773 -8.599 1.00 0.00 C ATOM 0 H ALA A 18 6.453 -1.673 -8.776 1.00 0.00 H new ATOM 0 HA ALA A 18 7.181 -4.381 -8.998 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.427 -3.439 -8.459 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.566 -2.409 -9.626 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.660 -1.928 -7.915 1.00 0.00 H new ATOM 145 N ARG A 19 8.106 -3.513 -5.912 1.00 0.00 N ATOM 146 CA ARG A 19 8.337 -4.117 -4.604 1.00 0.00 C ATOM 147 C ARG A 19 9.252 -3.256 -3.765 1.00 0.00 C ATOM 148 O ARG A 19 8.833 -2.440 -2.935 1.00 0.00 O ATOM 149 CB ARG A 19 8.938 -5.537 -4.814 1.00 0.00 C ATOM 150 CG ARG A 19 9.499 -6.219 -3.538 1.00 0.00 C ATOM 151 CD ARG A 19 10.379 -7.434 -3.861 1.00 0.00 C ATOM 152 NE ARG A 19 9.670 -8.277 -4.856 1.00 0.00 N ATOM 153 CZ ARG A 19 10.237 -9.175 -5.651 1.00 0.00 C ATOM 154 NH1 ARG A 19 11.510 -9.441 -5.665 1.00 0.00 N ATOM 155 NH2 ARG A 19 9.473 -9.821 -6.457 1.00 0.00 N ATOM 0 H ARG A 19 8.581 -2.621 -6.051 1.00 0.00 H new ATOM 0 HA ARG A 19 7.393 -4.198 -4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.167 -6.180 -5.240 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.739 -5.469 -5.551 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.080 -5.494 -2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.670 -6.533 -2.903 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.342 -7.110 -4.256 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.582 -8.006 -2.956 1.00 0.00 H new ATOM 0 HE ARG A 19 8.660 -8.155 -4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.142 -8.945 -5.036 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.877 -10.146 -6.305 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.470 -9.635 -6.469 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.869 -10.520 -7.085 1.00 0.00 H new ATOM 156 N ASP A 20 10.705 -3.475 -3.976 1.00 0.00 N ATOM 157 CA ASP A 20 11.735 -2.658 -3.344 1.00 0.00 C ATOM 158 C ASP A 20 11.763 -1.269 -3.934 1.00 0.00 C ATOM 159 O ASP A 20 11.488 -1.057 -5.123 1.00 0.00 O ATOM 160 CB ASP A 20 13.114 -3.363 -3.465 1.00 0.00 C ATOM 161 CG ASP A 20 14.315 -2.704 -2.774 1.00 0.00 C ATOM 162 OD1 ASP A 20 14.830 -1.656 -3.486 1.00 0.00 O ATOM 163 OD2 ASP A 20 14.770 -3.098 -1.709 1.00 0.00 O ATOM 0 H ASP A 20 11.077 -4.211 -4.576 1.00 0.00 H new ATOM 0 HA ASP A 20 11.500 -2.548 -2.285 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.011 -4.373 -3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.349 -3.461 -4.525 1.00 0.00 H new ATOM 164 N PRO A 21 12.164 -0.183 -3.016 1.00 0.00 N ATOM 165 CA PRO A 21 12.295 1.308 -3.361 1.00 0.00 C ATOM 166 C PRO A 21 13.094 1.579 -4.620 1.00 0.00 C ATOM 167 O PRO A 21 14.340 1.488 -4.606 1.00 0.00 O ATOM 168 CB PRO A 21 12.997 1.981 -2.191 1.00 0.00 C ATOM 169 CG PRO A 21 13.555 0.814 -1.364 1.00 0.00 C ATOM 170 CD PRO A 21 12.529 -0.308 -1.584 1.00 0.00 C ATOM 0 HA PRO A 21 11.293 1.696 -3.542 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.793 2.644 -2.532 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.305 2.588 -1.607 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.548 0.521 -1.704 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.643 1.076 -0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.955 -1.287 -1.364 1.00 0.00 H new ATOM 0 HD3 PRO A 21 11.659 -0.186 -0.938 1.00 0.00 H new ATOM 171 N ASN A 22 12.376 1.953 -5.857 1.00 0.00 N ATOM 172 CA ASN A 22 13.051 2.049 -7.147 1.00 0.00 C ATOM 173 C ASN A 22 13.619 3.437 -7.345 1.00 0.00 C ATOM 174 O ASN A 22 14.821 3.642 -7.557 1.00 0.00 O ATOM 175 CB ASN A 22 12.045 1.711 -8.286 1.00 0.00 C ATOM 176 CG ASN A 22 12.283 2.381 -9.643 1.00 0.00 C ATOM 177 OD1 ASN A 22 11.832 3.591 -9.833 1.00 0.00 O flip ATOM 178 ND2 ASN A 22 12.884 1.825 -10.551 1.00 0.00 N flip ATOM 0 H ASN A 22 11.379 2.165 -5.890 1.00 0.00 H new ATOM 0 HA ASN A 22 13.875 1.336 -7.171 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.052 0.631 -8.435 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.045 1.980 -7.946 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.244 0.879 -10.421 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.026 2.307 -11.439 1.00 0.00 H new ATOM 179 N ALA A 23 12.640 4.543 -7.229 1.00 0.00 N ATOM 180 CA ALA A 23 13.033 5.947 -7.225 1.00 0.00 C ATOM 181 C ALA A 23 13.274 6.436 -5.815 1.00 0.00 C ATOM 182 O ALA A 23 14.403 6.455 -5.307 1.00 0.00 O ATOM 183 CB ALA A 23 11.925 6.742 -7.943 1.00 0.00 C ATOM 0 H ALA A 23 11.634 4.396 -7.145 1.00 0.00 H new ATOM 0 HA ALA A 23 13.976 6.088 -7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.188 7.800 -7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.821 6.379 -8.966 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.981 6.610 -7.414 1.00 0.00 H new ATOM 184 N ASP A 24 12.075 6.899 -5.081 1.00 0.00 N ATOM 185 CA ASP A 24 12.156 7.562 -3.783 1.00 0.00 C ATOM 186 C ASP A 24 12.188 6.551 -2.662 1.00 0.00 C ATOM 187 O ASP A 24 11.151 6.054 -2.197 1.00 0.00 O ATOM 188 CB ASP A 24 10.989 8.569 -3.619 1.00 0.00 C ATOM 189 CG ASP A 24 11.141 9.918 -4.342 1.00 0.00 C ATOM 190 OD1 ASP A 24 12.195 10.292 -4.835 1.00 0.00 O ATOM 191 OD2 ASP A 24 9.975 10.629 -4.390 1.00 0.00 O ATOM 0 H ASP A 24 11.123 6.786 -5.430 1.00 0.00 H new ATOM 0 HA ASP A 24 13.089 8.124 -3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.075 8.093 -3.974 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.854 8.765 -2.555 1.00 0.00 H new ATOM 192 N GLY A 25 13.518 6.210 -2.112 1.00 0.00 N ATOM 193 CA GLY A 25 13.703 5.125 -1.155 1.00 0.00 C ATOM 194 C GLY A 25 12.785 5.235 0.038 1.00 0.00 C ATOM 195 O GLY A 25 12.546 4.240 0.753 1.00 0.00 O ATOM 0 H GLY A 25 14.377 6.701 -2.360 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.529 4.172 -1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.738 5.121 -0.812 1.00 0.00 H new ATOM 196 N GLU A 26 12.147 6.541 0.315 1.00 0.00 N ATOM 197 CA GLU A 26 11.402 6.789 1.544 1.00 0.00 C ATOM 198 C GLU A 26 9.985 7.250 1.309 1.00 0.00 C ATOM 199 O GLU A 26 9.251 7.529 2.286 1.00 0.00 O ATOM 200 CB GLU A 26 12.195 7.837 2.384 1.00 0.00 C ATOM 201 CG GLU A 26 11.700 8.122 3.839 1.00 0.00 C ATOM 202 CD GLU A 26 12.742 8.459 4.909 1.00 0.00 C ATOM 203 OE1 GLU A 26 13.196 9.585 5.066 1.00 0.00 O ATOM 204 OE2 GLU A 26 13.114 7.391 5.668 1.00 0.00 O ATOM 0 H GLU A 26 12.185 7.338 -0.321 1.00 0.00 H new ATOM 0 HA GLU A 26 11.309 5.845 2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.232 7.507 2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.190 8.780 1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.992 8.949 3.793 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.146 7.247 4.179 1.00 0.00 H new ATOM 205 N PHE A 27 9.469 7.329 -0.074 1.00 0.00 N ATOM 206 CA PHE A 27 8.157 7.922 -0.367 1.00 0.00 C ATOM 207 C PHE A 27 7.051 7.026 0.129 1.00 0.00 C ATOM 208 O PHE A 27 7.202 5.795 0.241 1.00 0.00 O ATOM 209 CB PHE A 27 8.012 8.231 -1.881 1.00 0.00 C ATOM 210 CG PHE A 27 7.661 7.091 -2.857 1.00 0.00 C ATOM 211 CD1 PHE A 27 8.671 6.269 -3.361 1.00 0.00 C ATOM 212 CD2 PHE A 27 6.338 6.887 -3.267 1.00 0.00 C ATOM 213 CE1 PHE A 27 8.365 5.252 -4.259 1.00 0.00 C ATOM 214 CE2 PHE A 27 6.032 5.869 -4.164 1.00 0.00 C ATOM 215 CZ PHE A 27 7.044 5.053 -4.662 1.00 0.00 C ATOM 0 H PHE A 27 9.973 6.988 -0.893 1.00 0.00 H new ATOM 0 HA PHE A 27 8.079 8.871 0.164 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.245 8.999 -1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.951 8.671 -2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.694 6.424 -3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.552 7.522 -2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.149 4.617 -4.644 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.010 5.712 -4.474 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.806 4.265 -5.361 1.00 0.00 H new ATOM 216 N VAL A 28 5.781 7.672 0.517 1.00 0.00 N ATOM 217 CA VAL A 28 4.676 6.986 1.209 1.00 0.00 C ATOM 218 C VAL A 28 3.415 7.096 0.390 1.00 0.00 C ATOM 219 O VAL A 28 3.245 8.070 -0.380 1.00 0.00 O ATOM 220 CB VAL A 28 4.509 7.658 2.630 1.00 0.00 C ATOM 221 CG1 VAL A 28 5.742 7.561 3.576 1.00 0.00 C ATOM 222 CG2 VAL A 28 4.180 9.171 2.567 1.00 0.00 C ATOM 0 H VAL A 28 5.585 8.655 0.326 1.00 0.00 H new ATOM 0 HA VAL A 28 4.888 5.924 1.335 1.00 0.00 H new ATOM 0 HB VAL A 28 3.684 7.069 3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.515 8.055 4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.977 6.513 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.598 8.047 3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.080 9.564 3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.984 9.697 2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.245 9.318 2.026 1.00 0.00 H new ATOM 223 N PHE A 29 2.383 6.045 0.511 1.00 0.00 N ATOM 224 CA PHE A 29 1.221 5.992 -0.377 1.00 0.00 C ATOM 225 C PHE A 29 -0.038 5.732 0.415 1.00 0.00 C ATOM 226 O PHE A 29 -0.089 4.848 1.283 1.00 0.00 O ATOM 227 CB PHE A 29 1.401 4.847 -1.418 1.00 0.00 C ATOM 228 CG PHE A 29 0.737 3.503 -1.077 1.00 0.00 C ATOM 229 CD1 PHE A 29 -0.593 3.253 -1.420 1.00 0.00 C ATOM 230 CD2 PHE A 29 1.486 2.503 -0.446 1.00 0.00 C ATOM 231 CE1 PHE A 29 -1.170 2.019 -1.131 1.00 0.00 C ATOM 232 CE2 PHE A 29 0.908 1.274 -0.151 1.00 0.00 C ATOM 233 CZ PHE A 29 -0.420 1.030 -0.496 1.00 0.00 C ATOM 0 H PHE A 29 2.411 5.301 1.208 1.00 0.00 H new ATOM 0 HA PHE A 29 1.138 6.952 -0.887 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.007 5.190 -2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.469 4.675 -1.556 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.176 4.018 -1.911 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.518 2.687 -0.187 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.199 1.828 -1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.487 0.509 0.345 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.869 0.074 -0.271 1.00 0.00 H new ATOM 234 N ALA A 30 -1.199 6.597 0.114 1.00 0.00 N ATOM 235 CA ALA A 30 -2.418 6.561 0.917 1.00 0.00 C ATOM 236 C ALA A 30 -3.604 6.161 0.071 1.00 0.00 C ATOM 237 O ALA A 30 -4.207 6.982 -0.635 1.00 0.00 O ATOM 238 CB ALA A 30 -2.589 7.941 1.574 1.00 0.00 C ATOM 0 H ALA A 30 -1.225 7.263 -0.658 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.348 5.807 1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.494 7.945 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.726 8.153 2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.668 8.705 0.801 1.00 0.00 H new ATOM 239 N VAL A 31 -4.025 4.747 0.162 1.00 0.00 N ATOM 240 CA VAL A 31 -5.244 4.264 -0.485 1.00 0.00 C ATOM 241 C VAL A 31 -6.418 4.362 0.459 1.00 0.00 C ATOM 242 O VAL A 31 -6.532 3.604 1.436 1.00 0.00 O ATOM 243 CB VAL A 31 -5.032 2.784 -0.992 1.00 0.00 C ATOM 244 CG1 VAL A 31 -4.207 1.844 -0.068 1.00 0.00 C ATOM 245 CG2 VAL A 31 -6.350 2.018 -1.266 1.00 0.00 C ATOM 0 H VAL A 31 -3.506 4.031 0.670 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.464 4.891 -1.349 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.470 2.984 -1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.132 0.858 -0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.208 2.256 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.702 1.758 0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.120 1.010 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.936 1.963 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.923 2.541 -2.032 1.00 0.00 H new ATOM 246 N ARG A 32 -7.447 5.378 0.142 1.00 0.00 N ATOM 247 CA ARG A 32 -8.523 5.692 1.077 1.00 0.00 C ATOM 248 C ARG A 32 -9.672 4.716 1.001 1.00 0.00 C ATOM 249 O ARG A 32 -10.795 5.018 1.457 1.00 0.00 O ATOM 250 CB ARG A 32 -9.005 7.146 0.810 1.00 0.00 C ATOM 251 CG ARG A 32 -9.757 7.816 1.990 1.00 0.00 C ATOM 252 CD ARG A 32 -8.806 8.334 3.076 1.00 0.00 C ATOM 253 NE ARG A 32 -9.373 9.587 3.636 1.00 0.00 N ATOM 254 CZ ARG A 32 -10.155 9.668 4.704 1.00 0.00 C ATOM 255 NH1 ARG A 32 -10.539 8.647 5.411 1.00 0.00 N ATOM 256 NH2 ARG A 32 -10.555 10.837 5.059 1.00 0.00 N ATOM 0 H ARG A 32 -7.473 5.912 -0.727 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.131 5.606 2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.140 7.758 0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.659 7.141 -0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.356 8.644 1.611 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.449 7.098 2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.685 7.588 3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.817 8.519 2.657 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.142 10.459 3.159 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.237 7.707 5.155 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.142 8.786 6.222 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.270 11.658 4.525 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.158 10.944 5.875 1.00 0.00 H new ATOM 257 N THR A 33 -9.429 3.396 0.382 1.00 0.00 N ATOM 258 CA THR A 33 -10.464 2.364 0.331 1.00 0.00 C ATOM 259 C THR A 33 -10.251 1.337 1.418 1.00 0.00 C ATOM 260 O THR A 33 -11.200 0.752 1.960 1.00 0.00 O ATOM 261 CB THR A 33 -10.501 1.683 -1.077 1.00 0.00 C ATOM 262 OG1 THR A 33 -11.825 1.273 -1.399 1.00 0.00 O ATOM 263 CG2 THR A 33 -9.651 0.404 -1.242 1.00 0.00 C ATOM 0 H THR A 33 -8.542 3.122 -0.042 1.00 0.00 H new ATOM 0 HA THR A 33 -11.428 2.843 0.501 1.00 0.00 H new ATOM 0 HB THR A 33 -10.094 2.460 -1.724 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.831 0.851 -2.283 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.758 0.025 -2.258 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.604 0.636 -1.049 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.991 -0.353 -0.535 1.00 0.00 H new ATOM 264 N THR A 34 -8.846 1.046 1.775 1.00 0.00 N ATOM 265 CA THR A 34 -8.487 0.210 2.915 1.00 0.00 C ATOM 266 C THR A 34 -8.157 1.051 4.127 1.00 0.00 C ATOM 267 O THR A 34 -7.918 0.522 5.226 1.00 0.00 O ATOM 268 CB THR A 34 -7.288 -0.731 2.555 1.00 0.00 C ATOM 269 OG1 THR A 34 -7.708 -1.756 1.664 1.00 0.00 O ATOM 270 CG2 THR A 34 -6.633 -1.486 3.732 1.00 0.00 C ATOM 0 H THR A 34 -8.046 1.406 1.255 1.00 0.00 H new ATOM 0 HA THR A 34 -9.350 -0.409 3.160 1.00 0.00 H new ATOM 0 HB THR A 34 -6.560 -0.035 2.138 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.947 -2.334 1.448 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.817 -2.104 3.358 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.243 -0.768 4.453 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.376 -2.120 4.216 1.00 0.00 H new ATOM 271 N GLY A 35 -8.166 2.521 3.963 1.00 0.00 N ATOM 272 CA GLY A 35 -7.864 3.419 5.076 1.00 0.00 C ATOM 273 C GLY A 35 -6.482 3.152 5.622 1.00 0.00 C ATOM 274 O GLY A 35 -6.252 3.160 6.841 1.00 0.00 O ATOM 0 H GLY A 35 -8.378 2.995 3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.934 4.454 4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.603 3.287 5.866 1.00 0.00 H new ATOM 275 N ILE A 36 -5.403 2.918 4.632 1.00 0.00 N ATOM 276 CA ILE A 36 -4.011 2.763 5.037 1.00 0.00 C ATOM 277 C ILE A 36 -3.080 3.661 4.260 1.00 0.00 C ATOM 278 O ILE A 36 -3.132 3.763 3.024 1.00 0.00 O ATOM 279 CB ILE A 36 -3.536 1.252 5.005 1.00 0.00 C ATOM 280 CG1 ILE A 36 -3.114 0.677 3.617 1.00 0.00 C ATOM 281 CG2 ILE A 36 -4.595 0.282 5.625 1.00 0.00 C ATOM 282 CD1 ILE A 36 -1.824 -0.173 3.601 1.00 0.00 C ATOM 0 H ILE A 36 -5.558 2.851 3.626 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.962 3.086 6.077 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.631 1.297 5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.932 0.067 3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.986 1.509 2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.222 -0.741 5.579 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.775 0.556 6.664 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.527 0.354 5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.629 -0.519 2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.985 0.432 3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.946 -1.032 4.260 1.00 0.00 H new ATOM 283 N PHE A 37 -2.129 4.459 5.063 1.00 0.00 N ATOM 284 CA PHE A 37 -1.019 5.212 4.451 1.00 0.00 C ATOM 285 C PHE A 37 0.273 4.502 4.778 1.00 0.00 C ATOM 286 O PHE A 37 0.690 4.480 5.967 1.00 0.00 O ATOM 287 CB PHE A 37 -1.000 6.679 4.965 1.00 0.00 C ATOM 288 CG PHE A 37 -0.091 7.053 6.146 1.00 0.00 C ATOM 289 CD1 PHE A 37 1.231 7.454 5.938 1.00 0.00 C ATOM 290 CD2 PHE A 37 -0.594 6.989 7.450 1.00 0.00 C ATOM 291 CE1 PHE A 37 2.037 7.794 7.021 1.00 0.00 C ATOM 292 CE2 PHE A 37 0.208 7.340 8.530 1.00 0.00 C ATOM 293 CZ PHE A 37 1.525 7.740 8.316 1.00 0.00 C ATOM 0 H PHE A 37 -2.177 4.540 6.079 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.148 5.254 3.369 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.724 7.316 4.125 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.021 6.942 5.242 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.629 7.500 4.935 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.610 6.665 7.618 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.060 8.100 6.857 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.190 7.303 9.533 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.150 8.009 9.155 1.00 0.00 H new ATOM 294 N CYS A 38 1.013 3.790 3.717 1.00 0.00 N ATOM 295 CA CYS A 38 2.144 2.904 4.030 1.00 0.00 C ATOM 296 C CYS A 38 3.255 3.078 3.028 1.00 0.00 C ATOM 297 O CYS A 38 3.057 3.637 1.933 1.00 0.00 O ATOM 298 CB CYS A 38 1.592 1.470 4.116 1.00 0.00 C ATOM 299 SG CYS A 38 2.484 0.284 3.096 1.00 0.00 S ATOM 0 H CYS A 38 0.796 3.863 2.723 1.00 0.00 H new ATOM 0 HA CYS A 38 2.599 3.153 4.989 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.626 1.140 5.154 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.544 1.476 3.817 1.00 0.00 H new ATOM 300 N ARG A 39 4.584 2.551 3.408 1.00 0.00 N ATOM 301 CA ARG A 39 5.705 2.578 2.452 1.00 0.00 C ATOM 302 C ARG A 39 5.504 1.500 1.413 1.00 0.00 C ATOM 303 O ARG A 39 5.098 0.367 1.706 1.00 0.00 O ATOM 304 CB ARG A 39 7.036 2.464 3.233 1.00 0.00 C ATOM 305 CG ARG A 39 8.180 1.694 2.522 1.00 0.00 C ATOM 306 CD ARG A 39 9.514 1.808 3.274 1.00 0.00 C ATOM 307 NE ARG A 39 10.587 1.235 2.424 1.00 0.00 N ATOM 308 CZ ARG A 39 11.005 -0.024 2.456 1.00 0.00 C ATOM 309 NH1 ARG A 39 10.519 -0.939 3.241 1.00 0.00 N ATOM 310 NH2 ARG A 39 11.955 -0.354 1.654 1.00 0.00 N ATOM 0 H ARG A 39 4.807 2.150 4.319 1.00 0.00 H new ATOM 0 HA ARG A 39 5.744 3.521 1.907 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.388 3.470 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.834 1.975 4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.906 0.643 2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.301 2.081 1.510 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.730 2.851 3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.459 1.276 4.224 1.00 0.00 H new ATOM 0 HE ARG A 39 11.041 1.861 1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.765 -0.708 3.888 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.891 -1.888 3.210 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.357 0.342 1.026 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.306 -1.312 1.646 1.00 0.00 H new ATOM 311 N PRO A 40 5.872 1.842 0.026 1.00 0.00 N ATOM 312 CA PRO A 40 5.742 1.008 -1.248 1.00 0.00 C ATOM 313 C PRO A 40 5.418 -0.460 -1.276 1.00 0.00 C ATOM 314 O PRO A 40 4.636 -0.892 -2.184 1.00 0.00 O ATOM 315 CB PRO A 40 7.072 1.272 -1.980 1.00 0.00 C ATOM 316 CG PRO A 40 7.236 2.776 -1.714 1.00 0.00 C ATOM 317 CD PRO A 40 6.474 3.130 -0.436 1.00 0.00 C ATOM 0 HA PRO A 40 4.801 1.341 -1.685 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.895 0.685 -1.572 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.014 1.042 -3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.291 3.029 -1.608 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.853 3.353 -2.555 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.141 3.547 0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.705 3.878 -0.630 1.00 0.00 H new ATOM 318 N SER A 41 5.942 -1.403 -0.267 1.00 0.00 N ATOM 319 CA SER A 41 5.808 -2.851 -0.405 1.00 0.00 C ATOM 320 C SER A 41 4.690 -3.521 0.350 1.00 0.00 C ATOM 321 O SER A 41 4.879 -4.624 0.921 1.00 0.00 O ATOM 322 CB SER A 41 7.179 -3.531 -0.114 1.00 0.00 C ATOM 323 OG SER A 41 7.350 -4.760 -0.825 1.00 0.00 O ATOM 0 H SER A 41 6.426 -1.109 0.582 1.00 0.00 H new ATOM 0 HA SER A 41 5.504 -2.997 -1.442 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.983 -2.846 -0.383 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.266 -3.720 0.956 1.00 0.00 H new ATOM 0 HG SER A 41 8.225 -5.144 -0.609 1.00 0.00 H new ATOM 324 N CYS A 42 3.341 -2.883 0.357 1.00 0.00 N ATOM 325 CA CYS A 42 2.187 -3.582 0.919 1.00 0.00 C ATOM 326 C CYS A 42 1.783 -4.720 -0.017 1.00 0.00 C ATOM 327 O CYS A 42 1.188 -4.508 -1.081 1.00 0.00 O ATOM 328 CB CYS A 42 1.004 -2.692 1.311 1.00 0.00 C ATOM 329 SG CYS A 42 0.752 -2.687 3.125 1.00 0.00 S ATOM 0 H CYS A 42 3.140 -1.954 -0.014 1.00 0.00 H new ATOM 0 HA CYS A 42 2.507 -3.989 1.878 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.180 -1.674 0.963 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.099 -3.046 0.816 1.00 0.00 H new ATOM 330 N ARG A 43 2.176 -6.086 0.398 1.00 0.00 N ATOM 331 CA ARG A 43 2.039 -7.260 -0.457 1.00 0.00 C ATOM 332 C ARG A 43 0.634 -7.814 -0.455 1.00 0.00 C ATOM 333 O ARG A 43 0.030 -8.049 -1.514 1.00 0.00 O ATOM 334 CB ARG A 43 3.062 -8.337 0.014 1.00 0.00 C ATOM 335 CG ARG A 43 4.216 -7.805 0.904 1.00 0.00 C ATOM 336 CD ARG A 43 4.534 -8.738 2.080 1.00 0.00 C ATOM 337 NE ARG A 43 4.724 -10.111 1.548 1.00 0.00 N ATOM 338 CZ ARG A 43 4.553 -11.234 2.233 1.00 0.00 C ATOM 339 NH1 ARG A 43 4.196 -11.284 3.482 1.00 0.00 N ATOM 340 NH2 ARG A 43 4.755 -12.343 1.614 1.00 0.00 N ATOM 0 H ARG A 43 2.571 -6.295 1.315 1.00 0.00 H new ATOM 0 HA ARG A 43 2.247 -6.967 -1.486 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.525 -9.109 0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.493 -8.815 -0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.111 -7.677 0.294 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.949 -6.821 1.288 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.433 -8.404 2.598 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.723 -8.722 2.808 1.00 0.00 H new ATOM 0 HE ARG A 43 5.010 -10.198 0.573 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.028 -10.421 3.999 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.084 -12.186 3.945 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.036 -12.336 0.633 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.635 -13.230 2.104 1.00 0.00 H new ATOM 341 N ALA A 44 0.034 -8.097 0.866 1.00 0.00 N ATOM 342 CA ALA A 44 -1.361 -8.497 1.021 1.00 0.00 C ATOM 343 C ALA A 44 -2.239 -7.721 0.058 1.00 0.00 C ATOM 344 O ALA A 44 -2.001 -6.548 -0.251 1.00 0.00 O ATOM 345 CB ALA A 44 -1.760 -8.289 2.490 1.00 0.00 C ATOM 0 H ALA A 44 0.548 -8.032 1.745 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.495 -9.550 0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.801 -8.582 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.122 -8.899 3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.640 -7.238 2.754 1.00 0.00 H new ATOM 346 N ARG A 45 -3.371 -8.496 -0.509 1.00 0.00 N ATOM 347 CA ARG A 45 -4.223 -7.983 -1.575 1.00 0.00 C ATOM 348 C ARG A 45 -4.512 -6.511 -1.371 1.00 0.00 C ATOM 349 O ARG A 45 -5.412 -6.114 -0.620 1.00 0.00 O ATOM 350 CB ARG A 45 -5.538 -8.808 -1.619 1.00 0.00 C ATOM 351 CG ARG A 45 -5.458 -10.140 -2.412 1.00 0.00 C ATOM 352 CD ARG A 45 -6.442 -10.187 -3.588 1.00 0.00 C ATOM 353 NE ARG A 45 -7.748 -9.647 -3.131 1.00 0.00 N ATOM 354 CZ ARG A 45 -8.816 -9.465 -3.896 1.00 0.00 C ATOM 355 NH1 ARG A 45 -8.862 -9.734 -5.168 1.00 0.00 N ATOM 356 NH2 ARG A 45 -9.873 -8.990 -3.338 1.00 0.00 N ATOM 0 H ARG A 45 -3.625 -9.432 -0.192 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.707 -8.085 -2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.842 -9.031 -0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.321 -8.190 -2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.443 -10.275 -2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.663 -10.972 -1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.061 -9.601 -4.424 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.559 -11.211 -3.944 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.830 -9.395 -2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.040 -10.111 -5.640 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.720 -9.568 -5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.868 -8.768 -2.342 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.716 -8.835 -3.891 1.00 0.00 H new ATOM 357 N HIS A 46 -3.633 -5.577 -2.113 1.00 0.00 N ATOM 358 CA HIS A 46 -3.666 -4.134 -1.895 1.00 0.00 C ATOM 359 C HIS A 46 -4.538 -3.454 -2.924 1.00 0.00 C ATOM 360 O HIS A 46 -4.505 -3.774 -4.120 1.00 0.00 O ATOM 361 CB HIS A 46 -2.213 -3.645 -2.011 1.00 0.00 C ATOM 362 CG HIS A 46 -1.753 -3.532 -3.435 1.00 0.00 C ATOM 363 ND1 HIS A 46 -1.586 -4.590 -4.325 1.00 0.00 N ATOM 364 CD2 HIS A 46 -1.436 -2.316 -4.026 1.00 0.00 C ATOM 365 CE1 HIS A 46 -1.168 -3.913 -5.411 1.00 0.00 C ATOM 366 NE2 HIS A 46 -1.054 -2.560 -5.319 1.00 0.00 N ATOM 0 H HIS A 46 -2.956 -5.876 -2.815 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.087 -3.896 -0.918 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.121 -2.674 -1.525 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.558 -4.333 -1.475 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.482 -1.348 -3.550 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.930 -4.429 -6.329 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.758 -1.895 -6.033 1.00 0.00 H new ATOM 367 N ALA A 47 -5.460 -2.414 -2.415 1.00 0.00 N ATOM 368 CA ALA A 47 -6.273 -1.603 -3.316 1.00 0.00 C ATOM 369 C ALA A 47 -5.431 -1.034 -4.434 1.00 0.00 C ATOM 370 O ALA A 47 -4.195 -1.118 -4.431 1.00 0.00 O ATOM 371 CB ALA A 47 -6.974 -0.522 -2.477 1.00 0.00 C ATOM 0 H ALA A 47 -5.586 -2.200 -1.426 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.035 -2.210 -3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.590 0.100 -3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.604 -0.997 -1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.225 0.098 -1.984 1.00 0.00 H new ATOM 372 N LEU A 48 -6.164 -0.335 -5.512 1.00 0.00 N ATOM 373 CA LEU A 48 -5.504 0.107 -6.735 1.00 0.00 C ATOM 374 C LEU A 48 -4.820 1.443 -6.552 1.00 0.00 C ATOM 375 O LEU A 48 -4.748 2.014 -5.456 1.00 0.00 O ATOM 376 CB LEU A 48 -6.521 0.167 -7.912 1.00 0.00 C ATOM 377 CG LEU A 48 -8.017 -0.120 -7.612 1.00 0.00 C ATOM 378 CD1 LEU A 48 -8.629 1.036 -6.808 1.00 0.00 C ATOM 379 CD2 LEU A 48 -8.844 -0.353 -8.888 1.00 0.00 C ATOM 0 H LEU A 48 -7.160 -0.120 -5.473 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.732 -0.624 -6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.456 1.160 -8.356 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.193 -0.543 -8.671 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.049 -1.040 -7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.678 0.822 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.092 1.148 -5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.552 1.959 -7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.882 -0.549 -8.618 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.795 0.533 -9.521 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.442 -1.209 -9.431 1.00 0.00 H new ATOM 380 N ARG A 49 -4.269 2.053 -7.784 1.00 0.00 N ATOM 381 CA ARG A 49 -3.732 3.412 -7.840 1.00 0.00 C ATOM 382 C ARG A 49 -4.824 4.407 -8.152 1.00 0.00 C ATOM 383 O ARG A 49 -4.576 5.555 -8.550 1.00 0.00 O ATOM 384 CB ARG A 49 -2.615 3.440 -8.922 1.00 0.00 C ATOM 385 CG ARG A 49 -1.796 4.747 -9.071 1.00 0.00 C ATOM 386 CD ARG A 49 -1.543 5.111 -10.542 1.00 0.00 C ATOM 387 NE ARG A 49 -1.256 3.860 -11.289 1.00 0.00 N ATOM 388 CZ ARG A 49 -1.144 3.756 -12.607 1.00 0.00 C ATOM 389 NH1 ARG A 49 -1.275 4.749 -13.435 1.00 0.00 N ATOM 390 NH2 ARG A 49 -0.889 2.592 -13.091 1.00 0.00 N ATOM 0 H ARG A 49 -4.229 1.562 -8.677 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.315 3.694 -6.873 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.919 2.629 -8.708 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.074 3.219 -9.885 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.327 5.564 -8.583 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.841 4.636 -8.557 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.413 5.614 -10.964 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.705 5.803 -10.623 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.135 3.008 -10.742 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.478 5.684 -13.082 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.175 4.593 -14.438 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.781 1.793 -12.467 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.795 2.468 -14.099 1.00 0.00 H new ATOM 391 N GLU A 50 -6.215 3.952 -7.923 1.00 0.00 N ATOM 392 CA GLU A 50 -7.378 4.719 -8.351 1.00 0.00 C ATOM 393 C GLU A 50 -7.824 5.737 -7.331 1.00 0.00 C ATOM 394 O GLU A 50 -8.476 6.747 -7.689 1.00 0.00 O ATOM 395 CB GLU A 50 -8.528 3.720 -8.679 1.00 0.00 C ATOM 396 CG GLU A 50 -9.692 3.596 -7.642 1.00 0.00 C ATOM 397 CD GLU A 50 -10.959 4.424 -7.868 1.00 0.00 C ATOM 398 OE1 GLU A 50 -11.727 3.980 -8.901 1.00 0.00 O ATOM 399 OE2 GLU A 50 -11.251 5.394 -7.181 1.00 0.00 O ATOM 0 H GLU A 50 -6.448 3.077 -7.453 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.103 5.293 -9.236 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.960 4.007 -9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.088 2.732 -8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.985 2.547 -7.595 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.293 3.860 -6.662 1.00 0.00 H new ATOM 400 N ASN A 51 -7.461 5.533 -5.920 1.00 0.00 N ATOM 401 CA ASN A 51 -7.956 6.433 -4.847 1.00 0.00 C ATOM 402 C ASN A 51 -6.792 6.703 -3.917 1.00 0.00 C ATOM 403 O ASN A 51 -6.887 6.993 -2.719 1.00 0.00 O ATOM 404 CB ASN A 51 -9.109 5.709 -4.111 1.00 0.00 C ATOM 405 CG ASN A 51 -8.847 5.110 -2.723 1.00 0.00 C ATOM 406 OD1 ASN A 51 -9.484 5.439 -1.734 1.00 0.00 O ATOM 407 ND2 ASN A 51 -7.919 4.199 -2.604 1.00 0.00 N ATOM 0 H ASN A 51 -6.859 4.778 -5.591 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.333 7.379 -5.235 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.932 6.417 -4.014 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.456 4.903 -4.757 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.735 3.774 -1.695 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.378 3.913 -3.420 1.00 0.00 H new ATOM 408 N VAL A 52 -5.452 6.548 -4.569 1.00 0.00 N ATOM 409 CA VAL A 52 -4.211 6.451 -3.809 1.00 0.00 C ATOM 410 C VAL A 52 -3.506 7.781 -3.770 1.00 0.00 C ATOM 411 O VAL A 52 -3.546 8.534 -4.779 1.00 0.00 O ATOM 412 CB VAL A 52 -3.296 5.317 -4.437 1.00 0.00 C ATOM 413 CG1 VAL A 52 -2.127 5.785 -5.342 1.00 0.00 C ATOM 414 CG2 VAL A 52 -2.658 4.386 -3.377 1.00 0.00 C ATOM 0 H VAL A 52 -5.322 6.501 -5.580 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.436 6.179 -2.778 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.030 4.800 -5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.580 4.916 -5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.524 6.346 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.455 6.422 -4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.046 3.634 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.035 4.974 -2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.444 3.893 -2.805 1.00 0.00 H new ATOM 415 N SER A 53 -2.808 8.211 -2.542 1.00 0.00 N ATOM 416 CA SER A 53 -2.168 9.524 -2.435 1.00 0.00 C ATOM 417 C SER A 53 -0.735 9.409 -1.978 1.00 0.00 C ATOM 418 O SER A 53 -0.429 8.856 -0.913 1.00 0.00 O ATOM 419 CB SER A 53 -2.995 10.473 -1.534 1.00 0.00 C ATOM 420 OG SER A 53 -2.422 11.781 -1.429 1.00 0.00 O ATOM 0 H SER A 53 -2.727 7.635 -1.704 1.00 0.00 H new ATOM 0 HA SER A 53 -2.142 9.965 -3.431 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.006 10.556 -1.933 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.080 10.038 -0.538 1.00 0.00 H new ATOM 0 HG SER A 53 -2.984 12.339 -0.851 1.00 0.00 H new ATOM 421 N PHE A 54 0.288 10.033 -2.850 1.00 0.00 N ATOM 422 CA PHE A 54 1.716 9.838 -2.616 1.00 0.00 C ATOM 423 C PHE A 54 2.356 11.032 -1.947 1.00 0.00 C ATOM 424 O PHE A 54 1.941 12.187 -2.113 1.00 0.00 O ATOM 425 CB PHE A 54 2.446 9.567 -3.966 1.00 0.00 C ATOM 426 CG PHE A 54 1.873 8.447 -4.847 1.00 0.00 C ATOM 427 CD1 PHE A 54 1.234 7.352 -4.252 1.00 0.00 C ATOM 428 CD2 PHE A 54 1.990 8.505 -6.238 1.00 0.00 C ATOM 429 CE1 PHE A 54 0.715 6.329 -5.040 1.00 0.00 C ATOM 430 CE2 PHE A 54 1.473 7.480 -7.026 1.00 0.00 C ATOM 431 CZ PHE A 54 0.837 6.393 -6.427 1.00 0.00 C ATOM 0 H PHE A 54 0.069 10.625 -3.651 1.00 0.00 H new ATOM 0 HA PHE A 54 1.814 8.981 -1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.444 10.490 -4.545 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.487 9.330 -3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.144 7.301 -3.177 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.482 9.346 -6.703 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.219 5.488 -4.578 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.565 7.527 -8.101 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.438 5.598 -7.040 1.00 0.00 H new ATOM 432 N TYR A 55 3.511 10.739 -1.072 1.00 0.00 N ATOM 433 CA TYR A 55 4.281 11.779 -0.380 1.00 0.00 C ATOM 434 C TYR A 55 5.743 11.407 -0.327 1.00 0.00 C ATOM 435 O TYR A 55 6.104 10.227 -0.568 1.00 0.00 O ATOM 436 CB TYR A 55 3.760 11.915 1.081 1.00 0.00 C ATOM 437 CG TYR A 55 2.274 11.569 1.299 1.00 0.00 C ATOM 438 CD1 TYR A 55 1.819 10.286 1.597 1.00 0.00 C ATOM 439 CD2 TYR A 55 1.339 12.620 1.192 1.00 0.00 C ATOM 440 CE1 TYR A 55 0.462 10.045 1.792 1.00 0.00 C ATOM 441 CE2 TYR A 55 -0.016 12.376 1.386 1.00 0.00 C ATOM 442 CZ TYR A 55 -0.453 11.089 1.688 1.00 0.00 C ATOM 443 OH TYR A 55 -1.785 10.851 1.886 1.00 0.00 O ATOM 0 H TYR A 55 3.848 9.793 -0.892 1.00 0.00 H new ATOM 0 HA TYR A 55 4.163 12.717 -0.922 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.361 11.271 1.722 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.927 12.940 1.412 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.525 9.472 1.677 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.677 13.619 0.958 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.119 9.048 2.024 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.728 13.183 1.303 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.286 11.686 1.778 1.00 0.00 H new ATOM 444 N ALA A 56 6.769 12.434 -0.031 1.00 0.00 N ATOM 445 CA ALA A 56 8.179 12.094 0.186 1.00 0.00 C ATOM 446 C ALA A 56 8.403 11.417 1.516 1.00 0.00 C ATOM 447 O ALA A 56 9.200 10.467 1.630 1.00 0.00 O ATOM 448 CB ALA A 56 9.006 13.378 0.020 1.00 0.00 C ATOM 0 H ALA A 56 6.565 13.431 0.040 1.00 0.00 H new ATOM 0 HA ALA A 56 8.504 11.362 -0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.061 13.154 0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.864 13.775 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.680 14.118 0.751 1.00 0.00 H new ATOM 449 N ASN A 57 7.670 11.951 2.684 1.00 0.00 N ATOM 450 CA ASN A 57 7.793 11.349 4.010 1.00 0.00 C ATOM 451 C ASN A 57 6.436 11.126 4.634 1.00 0.00 C ATOM 452 O ASN A 57 5.455 11.816 4.326 1.00 0.00 O ATOM 453 CB ASN A 57 8.681 12.252 4.914 1.00 0.00 C ATOM 454 CG ASN A 57 8.877 11.803 6.366 1.00 0.00 C ATOM 455 OD1 ASN A 57 8.429 12.434 7.312 1.00 0.00 O ATOM 456 ND2 ASN A 57 9.545 10.706 6.599 1.00 0.00 N ATOM 0 H ASN A 57 7.045 12.756 2.644 1.00 0.00 H new ATOM 0 HA ASN A 57 8.269 10.374 3.910 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.664 12.335 4.449 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.248 13.252 4.924 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.686 10.389 7.558 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.926 10.166 5.822 1.00 0.00 H new ATOM 457 N ALA A 58 6.336 10.012 5.603 1.00 0.00 N ATOM 458 CA ALA A 58 5.087 9.671 6.271 1.00 0.00 C ATOM 459 C ALA A 58 4.647 10.735 7.249 1.00 0.00 C ATOM 460 O ALA A 58 3.501 10.716 7.739 1.00 0.00 O ATOM 461 CB ALA A 58 5.270 8.294 6.938 1.00 0.00 C ATOM 0 H ALA A 58 7.123 9.418 5.863 1.00 0.00 H new ATOM 0 HA ALA A 58 4.281 9.618 5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.349 8.011 7.447 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.507 7.550 6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.084 8.345 7.661 1.00 0.00 H new ATOM 462 N SER A 59 5.628 11.772 7.633 1.00 0.00 N ATOM 463 CA SER A 59 5.276 12.865 8.539 1.00 0.00 C ATOM 464 C SER A 59 4.156 13.698 7.960 1.00 0.00 C ATOM 465 O SER A 59 3.362 14.318 8.680 1.00 0.00 O ATOM 466 CB SER A 59 6.514 13.729 8.882 1.00 0.00 C ATOM 467 OG SER A 59 6.169 15.026 9.382 1.00 0.00 O ATOM 0 H SER A 59 6.592 11.795 7.300 1.00 0.00 H new ATOM 0 HA SER A 59 4.918 12.432 9.473 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.119 13.209 9.624 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.130 13.841 7.990 1.00 0.00 H new ATOM 0 HG SER A 59 6.987 15.527 9.583 1.00 0.00 H new ATOM 468 N GLU A 60 4.072 13.736 6.483 1.00 0.00 N ATOM 469 CA GLU A 60 2.968 14.385 5.783 1.00 0.00 C ATOM 470 C GLU A 60 1.680 13.612 5.936 1.00 0.00 C ATOM 471 O GLU A 60 0.692 14.102 6.507 1.00 0.00 O ATOM 472 CB GLU A 60 3.355 14.544 4.285 1.00 0.00 C ATOM 473 CG GLU A 60 2.200 14.445 3.234 1.00 0.00 C ATOM 474 CD GLU A 60 1.693 15.732 2.579 1.00 0.00 C ATOM 475 OE1 GLU A 60 0.882 16.476 3.115 1.00 0.00 O ATOM 476 OE2 GLU A 60 2.227 15.969 1.349 1.00 0.00 O ATOM 0 H GLU A 60 4.769 13.318 5.866 1.00 0.00 H new ATOM 0 HA GLU A 60 2.793 15.367 6.222 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.841 15.512 4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.097 13.782 4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.532 13.778 2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.351 13.964 3.720 1.00 0.00 H new ATOM 477 N ALA A 61 1.633 12.258 5.337 1.00 0.00 N ATOM 478 CA ALA A 61 0.443 11.420 5.424 1.00 0.00 C ATOM 479 C ALA A 61 -0.071 11.290 6.839 1.00 0.00 C ATOM 480 O ALA A 61 -1.260 10.983 7.059 1.00 0.00 O ATOM 481 CB ALA A 61 0.778 10.063 4.782 1.00 0.00 C ATOM 0 H ALA A 61 2.412 11.831 4.835 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.379 11.886 4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.095 9.412 4.832 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.060 10.213 3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.606 9.601 5.319 1.00 0.00 H new ATOM 482 N LEU A 62 0.885 11.493 7.947 1.00 0.00 N ATOM 483 CA LEU A 62 0.441 11.557 9.341 1.00 0.00 C ATOM 484 C LEU A 62 -0.187 12.900 9.632 1.00 0.00 C ATOM 485 O LEU A 62 -1.263 12.999 10.238 1.00 0.00 O ATOM 486 CB LEU A 62 1.619 11.260 10.310 1.00 0.00 C ATOM 487 CG LEU A 62 1.292 10.611 11.682 1.00 0.00 C ATOM 488 CD1 LEU A 62 0.076 11.300 12.316 1.00 0.00 C ATOM 489 CD2 LEU A 62 1.035 9.099 11.578 1.00 0.00 C ATOM 0 H LEU A 62 1.891 11.599 7.819 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.316 10.790 9.500 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.321 10.607 9.791 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.139 12.199 10.501 1.00 0.00 H new ATOM 0 HG LEU A 62 2.170 10.748 12.313 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.144 10.837 13.278 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.293 12.358 12.464 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.786 11.196 11.657 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.812 8.699 12.567 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.190 8.918 10.914 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.921 8.606 11.179 1.00 0.00 H new ATOM 490 N ALA A 63 0.576 14.087 9.192 1.00 0.00 N ATOM 491 CA ALA A 63 0.012 15.435 9.238 1.00 0.00 C ATOM 492 C ALA A 63 -1.346 15.470 8.578 1.00 0.00 C ATOM 493 O ALA A 63 -2.190 16.329 8.865 1.00 0.00 O ATOM 494 CB ALA A 63 1.019 16.393 8.580 1.00 0.00 C ATOM 0 H ALA A 63 1.530 14.045 8.833 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.151 15.752 10.268 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.622 17.408 8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.962 16.361 9.126 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.187 16.090 7.546 1.00 0.00 H new ATOM 495 N ALA A 64 -1.626 14.397 7.597 1.00 0.00 N ATOM 496 CA ALA A 64 -2.951 14.211 7.013 1.00 0.00 C ATOM 497 C ALA A 64 -3.900 13.654 8.057 1.00 0.00 C ATOM 498 O ALA A 64 -5.049 14.087 8.212 1.00 0.00 O ATOM 499 CB ALA A 64 -2.803 13.289 5.793 1.00 0.00 C ATOM 0 H ALA A 64 -0.927 13.730 7.271 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.377 15.158 6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.780 13.132 5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.132 13.750 5.068 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.392 12.330 6.109 1.00 0.00 H new ATOM 500 N GLY A 65 -3.333 12.577 8.904 1.00 0.00 N ATOM 501 CA GLY A 65 -4.073 11.993 10.019 1.00 0.00 C ATOM 502 C GLY A 65 -4.538 10.594 9.651 1.00 0.00 C ATOM 503 O GLY A 65 -5.643 10.152 9.988 1.00 0.00 O ATOM 0 H GLY A 65 -2.404 12.179 8.766 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.441 11.955 10.906 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.931 12.618 10.265 1.00 0.00 H new ATOM 504 N PHE A 66 -3.589 9.814 8.827 1.00 0.00 N ATOM 505 CA PHE A 66 -3.936 8.528 8.231 1.00 0.00 C ATOM 506 C PHE A 66 -3.273 7.377 8.945 1.00 0.00 C ATOM 507 O PHE A 66 -2.655 7.564 10.019 1.00 0.00 O ATOM 508 CB PHE A 66 -3.511 8.528 6.727 1.00 0.00 C ATOM 509 CG PHE A 66 -4.314 7.592 5.811 1.00 0.00 C ATOM 510 CD1 PHE A 66 -5.564 7.126 6.247 1.00 0.00 C ATOM 511 CD2 PHE A 66 -3.817 7.180 4.574 1.00 0.00 C ATOM 512 CE1 PHE A 66 -6.306 6.262 5.449 1.00 0.00 C ATOM 513 CE2 PHE A 66 -4.562 6.314 3.776 1.00 0.00 C ATOM 514 CZ PHE A 66 -5.802 5.856 4.215 1.00 0.00 C ATOM 0 H PHE A 66 -2.638 10.121 8.623 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.014 8.394 8.322 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.597 9.545 6.343 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.458 8.252 6.665 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.951 7.439 7.205 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.854 7.533 4.235 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.269 5.907 5.784 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.178 5.998 2.817 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.376 5.183 3.596 1.00 0.00 H new ATOM 515 N ARG A 67 -3.391 6.022 8.363 1.00 0.00 N ATOM 516 CA ARG A 67 -2.926 4.838 9.087 1.00 0.00 C ATOM 517 C ARG A 67 -1.532 4.424 8.680 1.00 0.00 C ATOM 518 O ARG A 67 -1.310 3.796 7.637 1.00 0.00 O ATOM 519 CB ARG A 67 -3.947 3.683 8.914 1.00 0.00 C ATOM 520 CG ARG A 67 -4.200 2.840 10.194 1.00 0.00 C ATOM 521 CD ARG A 67 -2.966 2.039 10.627 1.00 0.00 C ATOM 522 NE ARG A 67 -3.359 0.614 10.770 1.00 0.00 N ATOM 523 CZ ARG A 67 -3.494 -0.037 11.917 1.00 0.00 C ATOM 524 NH1 ARG A 67 -3.296 0.492 13.088 1.00 0.00 N ATOM 525 NH2 ARG A 67 -3.845 -1.273 11.861 1.00 0.00 N ATOM 0 H ARG A 67 -3.792 5.827 7.446 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.862 5.091 10.145 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.896 4.103 8.579 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.594 3.021 8.123 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.502 3.501 11.006 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.029 2.155 10.015 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.170 2.141 9.890 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.577 2.422 11.571 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.540 0.092 9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.018 1.470 13.165 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.419 -0.071 13.929 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.008 -1.716 10.957 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.960 -1.810 12.721 1.00 0.00 H new ATOM 526 N PRO A 68 -0.449 4.790 9.618 1.00 0.00 N ATOM 527 CA PRO A 68 1.046 4.514 9.465 1.00 0.00 C ATOM 528 C PRO A 68 1.439 3.055 9.432 1.00 0.00 C ATOM 529 O PRO A 68 1.573 2.402 10.488 1.00 0.00 O ATOM 530 CB PRO A 68 1.755 5.164 10.652 1.00 0.00 C ATOM 531 CG PRO A 68 0.737 6.218 11.114 1.00 0.00 C ATOM 532 CD PRO A 68 -0.613 5.519 10.908 1.00 0.00 C ATOM 0 HA PRO A 68 1.334 4.921 8.496 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.975 4.441 11.438 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.703 5.616 10.360 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.891 6.496 12.157 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.810 7.133 10.526 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -0.838 4.836 11.727 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.431 6.238 10.859 1.00 0.00 H new ATOM 533 N CYS A 69 1.614 2.402 8.112 1.00 0.00 N ATOM 534 CA CYS A 69 2.184 1.071 7.987 1.00 0.00 C ATOM 535 C CYS A 69 3.648 1.085 7.606 1.00 0.00 C ATOM 536 O CYS A 69 4.075 1.525 6.529 1.00 0.00 O ATOM 537 CB CYS A 69 1.352 0.205 7.012 1.00 0.00 C ATOM 538 SG CYS A 69 2.397 -1.085 6.327 1.00 0.00 S ATOM 0 H CYS A 69 1.352 2.833 7.225 1.00 0.00 H new ATOM 0 HA CYS A 69 2.137 0.617 8.977 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.503 -0.237 7.534 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.947 0.824 6.212 1.00 0.00 H new ATOM 539 N LYS A 70 4.581 0.550 8.638 1.00 0.00 N ATOM 540 CA LYS A 70 5.994 0.291 8.411 1.00 0.00 C ATOM 541 C LYS A 70 6.307 -1.174 8.666 1.00 0.00 C ATOM 542 O LYS A 70 7.421 -1.567 9.034 1.00 0.00 O ATOM 543 CB LYS A 70 6.857 1.203 9.322 1.00 0.00 C ATOM 544 CG LYS A 70 6.670 2.714 9.037 1.00 0.00 C ATOM 545 CD LYS A 70 6.980 3.635 10.221 1.00 0.00 C ATOM 546 CE LYS A 70 8.470 3.525 10.570 1.00 0.00 C ATOM 547 NZ LYS A 70 8.616 3.222 12.005 1.00 0.00 N ATOM 0 H LYS A 70 4.281 0.328 9.587 1.00 0.00 H new ATOM 0 HA LYS A 70 6.233 0.517 7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.607 1.004 10.364 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.908 0.944 9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.310 2.993 8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.641 2.885 8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.728 4.666 9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.371 3.358 11.082 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.938 2.743 9.972 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.981 4.458 10.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.626 3.147 12.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.183 3.983 12.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.142 2.321 12.220 1.00 0.00 H new ATOM 548 N ARG A 71 5.171 -2.106 8.481 1.00 0.00 N ATOM 549 CA ARG A 71 5.229 -3.525 8.824 1.00 0.00 C ATOM 550 C ARG A 71 4.164 -4.296 8.070 1.00 0.00 C ATOM 551 O ARG A 71 3.568 -5.251 8.578 1.00 0.00 O ATOM 552 CB ARG A 71 5.085 -3.691 10.359 1.00 0.00 C ATOM 553 CG ARG A 71 6.385 -4.114 11.097 1.00 0.00 C ATOM 554 CD ARG A 71 6.832 -3.081 12.140 1.00 0.00 C ATOM 555 NE ARG A 71 8.077 -3.574 12.782 1.00 0.00 N ATOM 556 CZ ARG A 71 8.168 -4.635 13.572 1.00 0.00 C ATOM 557 NH1 ARG A 71 7.167 -5.400 13.892 1.00 0.00 N ATOM 558 NH2 ARG A 71 9.327 -4.920 14.051 1.00 0.00 N ATOM 0 H ARG A 71 4.270 -1.815 8.100 1.00 0.00 H new ATOM 0 HA ARG A 71 6.194 -3.936 8.526 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.736 -2.748 10.780 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.313 -4.434 10.558 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.224 -5.074 11.587 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.182 -4.258 10.368 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.006 -2.115 11.667 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.052 -2.934 12.887 1.00 0.00 H new ATOM 0 HE ARG A 71 8.934 -3.052 12.600 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.235 -5.199 13.529 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.313 -6.201 14.506 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.132 -4.338 13.819 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.441 -5.728 14.663 1.00 0.00 H new ATOM 559 N CYS A 72 3.956 -3.911 6.652 1.00 0.00 N ATOM 560 CA CYS A 72 2.877 -4.350 5.744 1.00 0.00 C ATOM 561 C CYS A 72 1.883 -5.163 6.535 1.00 0.00 C ATOM 562 O CYS A 72 1.430 -6.292 6.345 1.00 0.00 O ATOM 563 CB CYS A 72 3.547 -4.850 4.456 1.00 0.00 C ATOM 564 SG CYS A 72 4.260 -3.340 3.637 1.00 0.00 S ATOM 0 H CYS A 72 4.598 -3.270 6.186 1.00 0.00 H new ATOM 0 HA CYS A 72 2.201 -3.594 5.344 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.326 -5.579 4.678 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.825 -5.343 3.806 1.00 0.00 H new ATOM 565 N GLN A 73 1.389 -4.350 7.722 1.00 0.00 N ATOM 566 CA GLN A 73 0.284 -4.706 8.608 1.00 0.00 C ATOM 567 C GLN A 73 -0.911 -5.278 7.906 1.00 0.00 C ATOM 568 O GLN A 73 -1.763 -4.556 7.365 1.00 0.00 O ATOM 569 CB GLN A 73 -0.133 -3.394 9.369 1.00 0.00 C ATOM 570 CG GLN A 73 -0.895 -3.593 10.718 1.00 0.00 C ATOM 571 CD GLN A 73 -1.030 -2.401 11.678 1.00 0.00 C ATOM 572 OE1 GLN A 73 -0.725 -1.273 11.325 1.00 0.00 O ATOM 573 NE2 GLN A 73 -1.453 -2.590 12.901 1.00 0.00 N ATOM 0 H GLN A 73 1.823 -3.464 7.981 1.00 0.00 H new ATOM 0 HA GLN A 73 0.630 -5.494 9.277 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.767 -2.811 9.566 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.760 -2.798 8.706 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.901 -3.940 10.480 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.400 -4.398 11.260 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.712 -3.526 13.212 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.524 -1.801 13.544 1.00 0.00 H new ATOM 574 N PRO A 74 -1.040 -6.751 7.917 1.00 0.00 N ATOM 575 CA PRO A 74 -2.175 -7.574 7.301 1.00 0.00 C ATOM 576 C PRO A 74 -3.519 -7.367 7.992 1.00 0.00 C ATOM 577 O PRO A 74 -3.585 -6.785 9.082 1.00 0.00 O ATOM 578 CB PRO A 74 -1.801 -9.041 7.439 1.00 0.00 C ATOM 579 CG PRO A 74 -0.290 -9.004 7.708 1.00 0.00 C ATOM 580 CD PRO A 74 -0.101 -7.721 8.530 1.00 0.00 C ATOM 0 HA PRO A 74 -2.291 -7.255 6.265 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.342 -9.518 8.256 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.033 -9.601 6.533 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.041 -9.885 8.258 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.282 -8.974 6.780 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.330 -7.886 9.583 1.00 0.00 H new ATOM 0 HD3 PRO A 74 0.928 -7.365 8.480 1.00 0.00 H new ATOM 581 N ASP A 75 -4.705 -7.930 7.313 1.00 0.00 N ATOM 582 CA ASP A 75 -6.022 -7.949 7.940 1.00 0.00 C ATOM 583 C ASP A 75 -7.104 -8.300 6.945 1.00 0.00 C ATOM 584 O ASP A 75 -7.646 -7.437 6.241 1.00 0.00 O ATOM 585 CB ASP A 75 -6.314 -6.600 8.649 1.00 0.00 C ATOM 586 CG ASP A 75 -7.514 -6.570 9.606 1.00 0.00 C ATOM 587 OD1 ASP A 75 -8.629 -7.160 9.079 1.00 0.00 O ATOM 588 OD2 ASP A 75 -7.468 -6.062 10.718 1.00 0.00 O ATOM 0 H ASP A 75 -4.682 -8.336 6.377 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.020 -8.731 8.699 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.425 -6.310 9.209 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.470 -5.840 7.883 1.00 0.00 H new ATOM 589 N LYS A 76 -7.504 -9.722 6.888 1.00 0.00 N ATOM 590 CA LYS A 76 -8.650 -10.177 6.106 1.00 0.00 C ATOM 591 C LYS A 76 -9.636 -10.917 6.985 1.00 0.00 C ATOM 592 O LYS A 76 -9.325 -11.968 7.560 1.00 0.00 O ATOM 593 CB LYS A 76 -8.163 -11.077 4.938 1.00 0.00 C ATOM 594 CG LYS A 76 -8.249 -10.388 3.553 1.00 0.00 C ATOM 595 CD LYS A 76 -9.564 -9.653 3.278 1.00 0.00 C ATOM 596 CE LYS A 76 -9.989 -9.903 1.825 1.00 0.00 C ATOM 597 NZ LYS A 76 -8.996 -9.305 0.914 1.00 0.00 N ATOM 0 H LYS A 76 -7.014 -10.467 7.383 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.162 -9.310 5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.131 -11.374 5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.759 -11.989 4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.427 -9.677 3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.102 -11.141 2.779 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.339 -10.002 3.961 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.441 -8.584 3.454 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.072 -10.974 1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.973 -9.470 1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.376 -9.292 -0.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.788 -8.332 1.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.122 -9.868 0.935 1.00 0.00 H new ATOM 598 N ALA A 77 -10.991 -10.337 7.078 1.00 0.00 N ATOM 599 CA ALA A 77 -12.028 -10.788 7.997 1.00 0.00 C ATOM 600 C ALA A 77 -11.616 -11.927 8.893 1.00 0.00 C ATOM 601 O ALA A 77 -11.992 -13.091 8.690 1.00 0.00 O ATOM 602 CB ALA A 77 -13.274 -11.128 7.148 1.00 0.00 C ATOM 0 H ALA A 77 -11.294 -9.562 6.488 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.244 -9.985 8.702 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -14.077 -11.471 7.801 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.600 -10.239 6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.025 -11.914 6.435 1.00 0.00 H new ATOM 603 N ASN A 78 -10.719 -11.585 10.021 1.00 0.00 N ATOM 604 CA ASN A 78 -10.107 -12.612 10.860 1.00 0.00 C ATOM 605 C ASN A 78 -9.387 -13.636 10.014 1.00 0.00 C ATOM 606 O ASN A 78 -9.919 -14.702 9.681 1.00 0.00 O ATOM 607 CB ASN A 78 -11.199 -13.290 11.737 1.00 0.00 C ATOM 608 CG ASN A 78 -10.854 -13.534 13.210 1.00 0.00 C ATOM 609 OD1 ASN A 78 -9.704 -13.684 13.596 1.00 0.00 O ATOM 610 ND2 ASN A 78 -11.823 -13.572 14.084 1.00 0.00 N ATOM 0 H ASN A 78 -10.474 -10.630 10.282 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.371 -12.143 11.512 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.097 -12.674 11.697 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.450 -14.249 11.284 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.614 -13.725 15.071 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.789 -13.449 13.780 1.00 0.00 H new ATOM 611 N PRO A 79 -7.999 -13.298 9.633 1.00 0.00 N ATOM 612 CA PRO A 79 -7.061 -14.145 8.775 1.00 0.00 C ATOM 613 C PRO A 79 -6.779 -15.532 9.313 1.00 0.00 C ATOM 614 O PRO A 79 -6.868 -16.535 8.590 1.00 0.00 O ATOM 615 CB PRO A 79 -5.745 -13.391 8.660 1.00 0.00 C ATOM 616 CG PRO A 79 -5.773 -12.470 9.889 1.00 0.00 C ATOM 617 CD PRO A 79 -7.251 -12.073 10.008 1.00 0.00 C ATOM 0 HA PRO A 79 -7.559 -14.298 7.817 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -4.889 -14.066 8.679 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.683 -12.824 7.731 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -5.423 -12.984 10.784 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -5.133 -11.598 9.752 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -7.495 -11.754 11.021 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -7.493 -11.242 9.345 1.00 0.00 H new ATOM 618 N ARG A 80 -6.430 -15.633 10.746 1.00 0.00 N ATOM 619 CA ARG A 80 -6.211 -16.922 11.398 1.00 0.00 C ATOM 620 C ARG A 80 -7.465 -17.764 11.365 1.00 0.00 C ATOM 621 O ARG A 80 -7.509 -18.844 10.760 1.00 0.00 O ATOM 622 CB ARG A 80 -5.727 -16.677 12.853 1.00 0.00 C ATOM 623 CG ARG A 80 -4.230 -17.001 13.106 1.00 0.00 C ATOM 624 CD ARG A 80 -3.689 -16.339 14.380 1.00 0.00 C ATOM 625 NE ARG A 80 -2.228 -16.593 14.455 1.00 0.00 N ATOM 626 CZ ARG A 80 -1.481 -16.476 15.544 1.00 0.00 C ATOM 627 NH1 ARG A 80 -1.933 -16.115 16.708 1.00 0.00 N ATOM 628 NH2 ARG A 80 -0.227 -16.740 15.435 1.00 0.00 N ATOM 0 H ARG A 80 -6.321 -14.827 11.362 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.443 -17.477 10.859 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.906 -15.633 13.109 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -6.334 -17.280 13.529 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.104 -18.081 13.181 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.641 -16.670 12.251 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -3.887 -15.267 14.364 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -4.190 -16.743 15.260 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.760 -16.882 13.596 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.923 -15.900 16.826 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.298 -16.047 17.503 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.157 -17.027 14.535 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.383 -16.662 16.249 1.00 0.00 H new ATOM 629 N GLN A 81 -8.622 -17.245 12.127 1.00 0.00 N ATOM 630 CA GLN A 81 -9.878 -17.982 12.233 1.00 0.00 C ATOM 631 C GLN A 81 -10.328 -18.493 10.885 1.00 0.00 C ATOM 632 O GLN A 81 -10.073 -19.644 10.504 1.00 0.00 O ATOM 633 CB GLN A 81 -10.945 -17.053 12.854 1.00 0.00 C ATOM 634 CG GLN A 81 -10.880 -16.869 14.407 1.00 0.00 C ATOM 635 CD GLN A 81 -11.605 -17.875 15.309 1.00 0.00 C ATOM 636 OE1 GLN A 81 -11.136 -18.981 15.527 1.00 0.00 O ATOM 637 NE2 GLN A 81 -12.748 -17.554 15.860 1.00 0.00 N ATOM 0 H GLN A 81 -8.619 -16.353 12.621 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.732 -18.853 12.872 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.858 -16.071 12.389 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.930 -17.442 12.596 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.828 -16.869 14.694 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.273 -15.879 14.637 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.156 -16.635 15.690 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.231 -18.223 16.460 1.00 0.00 H new ATOM 638 N HIS A 82 -11.124 -17.557 10.061 1.00 0.00 N ATOM 639 CA HIS A 82 -11.764 -17.971 8.816 1.00 0.00 C ATOM 640 C HIS A 82 -10.776 -17.973 7.673 1.00 0.00 C ATOM 641 O HIS A 82 -9.561 -17.822 7.861 1.00 0.00 O ATOM 642 CB HIS A 82 -12.889 -16.957 8.548 1.00 0.00 C ATOM 643 CG HIS A 82 -14.077 -17.176 9.438 1.00 0.00 C ATOM 644 ND1 HIS A 82 -15.274 -16.465 9.389 1.00 0.00 N ATOM 645 CD2 HIS A 82 -14.101 -18.142 10.435 1.00 0.00 C ATOM 646 CE1 HIS A 82 -15.943 -17.071 10.388 1.00 0.00 C ATOM 647 NE2 HIS A 82 -15.320 -18.078 11.058 1.00 0.00 N ATOM 0 H HIS A 82 -11.276 -16.578 10.304 1.00 0.00 H new ATOM 0 HA HIS A 82 -12.153 -18.986 8.900 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -12.508 -15.947 8.697 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -13.200 -17.030 7.506 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -13.300 -18.824 10.677 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -16.945 -16.766 10.650 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -15.672 -18.644 11.830 1.00 0.00 H new ATOM 648 N ARG A 83 -11.338 -18.185 6.322 1.00 0.00 N ATOM 649 CA ARG A 83 -10.493 -18.250 5.133 1.00 0.00 C ATOM 650 C ARG A 83 -11.330 -18.363 3.880 1.00 0.00 C ATOM 651 O ARG A 83 -11.842 -17.369 3.346 1.00 0.00 O ATOM 652 CB ARG A 83 -9.516 -19.449 5.273 1.00 0.00 C ATOM 653 CG ARG A 83 -8.621 -19.712 4.033 1.00 0.00 C ATOM 654 CD ARG A 83 -7.179 -20.068 4.414 1.00 0.00 C ATOM 655 NE ARG A 83 -6.299 -19.751 3.260 1.00 0.00 N ATOM 656 CZ ARG A 83 -4.996 -19.990 3.197 1.00 0.00 C ATOM 657 NH1 ARG A 83 -4.305 -20.545 4.148 1.00 0.00 N ATOM 658 NH2 ARG A 83 -4.381 -19.646 2.121 1.00 0.00 N ATOM 0 H ARG A 83 -12.334 -18.298 6.134 1.00 0.00 H new ATOM 0 HA ARG A 83 -9.915 -17.330 5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.873 -19.276 6.136 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.095 -20.348 5.482 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.049 -20.524 3.446 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.617 -18.827 3.397 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.869 -19.504 5.294 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.104 -21.125 4.670 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.733 -19.313 2.448 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.764 -20.828 5.014 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.304 -20.698 4.028 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.896 -19.207 1.357 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.379 -19.812 2.031 1.00 0.00 H new ATOM 659 N LEU A 84 -11.530 -19.727 3.345 1.00 0.00 N ATOM 660 CA LEU A 84 -12.184 -19.967 2.062 1.00 0.00 C ATOM 661 C LEU A 84 -11.576 -19.112 0.975 1.00 0.00 C ATOM 662 O LEU A 84 -12.004 -17.978 0.721 1.00 0.00 O ATOM 663 CB LEU A 84 -13.715 -19.716 2.173 1.00 0.00 C ATOM 664 CG LEU A 84 -14.648 -20.946 2.335 1.00 0.00 C ATOM 665 CD1 LEU A 84 -15.027 -21.506 0.957 1.00 0.00 C ATOM 666 CD2 LEU A 84 -14.021 -22.059 3.192 1.00 0.00 C ATOM 0 H LEU A 84 -11.230 -20.574 3.827 1.00 0.00 H new ATOM 0 HA LEU A 84 -12.027 -21.011 1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -13.884 -19.055 3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -14.030 -19.174 1.281 1.00 0.00 H new ATOM 0 HG LEU A 84 -15.540 -20.599 2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -15.682 -22.369 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -15.545 -20.738 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -14.124 -21.810 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -14.718 -22.893 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -13.097 -22.401 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -13.803 -21.673 4.188 1.00 0.00 H new ATOM 667 N ASP A 85 -10.466 -19.718 0.208 1.00 0.00 N ATOM 668 CA ASP A 85 -9.752 -18.984 -0.832 1.00 0.00 C ATOM 669 C ASP A 85 -10.603 -18.834 -2.071 1.00 0.00 C ATOM 670 O ASP A 85 -10.579 -17.803 -2.758 1.00 0.00 O ATOM 671 CB ASP A 85 -8.396 -19.671 -1.142 1.00 0.00 C ATOM 672 CG ASP A 85 -7.347 -18.825 -1.877 1.00 0.00 C ATOM 673 OD1 ASP A 85 -7.683 -18.578 -3.179 1.00 0.00 O ATOM 674 OD2 ASP A 85 -6.329 -18.412 -1.341 1.00 0.00 O ATOM 0 H ASP A 85 -10.132 -20.671 0.352 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.540 -17.979 -0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.962 -20.008 -0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.594 -20.561 -1.739 1.00 0.00 H new ATOM 675 N LYS A 86 -11.437 -19.999 -2.438 1.00 0.00 N ATOM 676 CA LYS A 86 -12.381 -19.955 -3.550 1.00 0.00 C ATOM 677 C LYS A 86 -13.797 -20.168 -3.067 1.00 0.00 C ATOM 678 O LYS A 86 -14.096 -20.083 -1.868 1.00 0.00 O ATOM 679 CB LYS A 86 -11.988 -21.024 -4.606 1.00 0.00 C ATOM 680 CG LYS A 86 -10.466 -21.084 -4.885 1.00 0.00 C ATOM 681 CD LYS A 86 -10.076 -21.802 -6.181 1.00 0.00 C ATOM 682 CE LYS A 86 -10.875 -21.208 -7.348 1.00 0.00 C ATOM 683 NZ LYS A 86 -10.082 -21.309 -8.586 1.00 0.00 N ATOM 0 H LYS A 86 -11.409 -20.893 -1.948 1.00 0.00 H new ATOM 0 HA LYS A 86 -12.338 -18.968 -4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.326 -22.002 -4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.512 -20.813 -5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.077 -20.066 -4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.977 -21.584 -4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.007 -21.693 -6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.277 -22.870 -6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.820 -21.739 -7.464 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.118 -20.165 -7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.622 -20.907 -9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.192 -20.784 -8.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.871 -22.308 -8.783 1.00 0.00 H new ATOM 684 N ILE A 87 -14.804 -20.476 -4.104 1.00 0.00 N ATOM 685 CA ILE A 87 -16.209 -20.700 -3.777 1.00 0.00 C ATOM 686 C ILE A 87 -16.699 -22.005 -4.360 1.00 0.00 C ATOM 687 O ILE A 87 -17.876 -22.161 -4.711 1.00 0.00 O ATOM 688 CB ILE A 87 -17.110 -19.479 -4.230 1.00 0.00 C ATOM 689 CG1 ILE A 87 -17.299 -19.346 -5.775 1.00 0.00 C ATOM 690 CG2 ILE A 87 -16.592 -18.112 -3.686 1.00 0.00 C ATOM 691 CD1 ILE A 87 -16.068 -18.855 -6.564 1.00 0.00 C ATOM 0 H ILE A 87 -14.589 -20.551 -5.098 1.00 0.00 H new ATOM 0 HA ILE A 87 -16.293 -20.774 -2.693 1.00 0.00 H new ATOM 0 HB ILE A 87 -18.079 -19.716 -3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -17.596 -20.317 -6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -18.124 -18.659 -5.963 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -17.248 -17.312 -4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -16.584 -18.134 -2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -15.581 -17.934 -4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -16.314 -18.801 -7.625 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -15.778 -17.867 -6.208 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -15.241 -19.550 -6.418 1.00 0.00 H new ATOM 692 N THR A 88 -15.699 -23.089 -4.471 1.00 0.00 N ATOM 693 CA THR A 88 -16.056 -24.426 -4.936 1.00 0.00 C ATOM 694 C THR A 88 -15.932 -25.438 -3.821 1.00 0.00 C ATOM 695 O THR A 88 -15.040 -26.297 -3.816 1.00 0.00 O ATOM 696 CB THR A 88 -15.168 -24.839 -6.158 1.00 0.00 C ATOM 697 OG1 THR A 88 -15.316 -23.906 -7.220 1.00 0.00 O ATOM 698 CG2 THR A 88 -15.481 -26.208 -6.800 1.00 0.00 C ATOM 0 H THR A 88 -14.713 -22.977 -4.235 1.00 0.00 H new ATOM 0 HA THR A 88 -17.097 -24.405 -5.258 1.00 0.00 H new ATOM 0 HB THR A 88 -14.170 -24.877 -5.721 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.753 -24.178 -7.975 1.00 0.00 H new ATOM 0 HG21 THR A 88 -14.802 -26.382 -7.634 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.353 -26.996 -6.058 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.509 -26.214 -7.162 1.00 0.00 H new ATOM 699 N HIS A 89 -16.919 -25.329 -2.725 1.00 0.00 N ATOM 700 CA HIS A 89 -16.970 -26.293 -1.629 1.00 0.00 C ATOM 701 C HIS A 89 -18.389 -26.736 -1.363 1.00 0.00 C ATOM 702 O HIS A 89 -19.250 -25.949 -0.946 1.00 0.00 O ATOM 703 CB HIS A 89 -16.391 -25.579 -0.397 1.00 0.00 C ATOM 704 CG HIS A 89 -16.797 -26.239 0.888 1.00 0.00 C ATOM 705 ND1 HIS A 89 -16.390 -27.498 1.322 1.00 0.00 N ATOM 706 CD2 HIS A 89 -17.651 -25.638 1.803 1.00 0.00 C ATOM 707 CE1 HIS A 89 -17.046 -27.560 2.496 1.00 0.00 C ATOM 708 NE2 HIS A 89 -17.816 -26.498 2.857 1.00 0.00 N ATOM 0 H HIS A 89 -17.617 -24.587 -2.663 1.00 0.00 H new ATOM 0 HA HIS A 89 -16.400 -27.189 -1.874 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -15.303 -25.563 -0.467 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -16.725 -24.541 -0.391 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -18.106 -24.664 1.702 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -16.963 -28.428 3.133 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -18.376 -26.373 3.701 1.00 0.00 H new ATOM 709 N ALA A 90 -18.694 -28.158 -1.632 1.00 0.00 N ATOM 710 CA ALA A 90 -20.026 -28.717 -1.420 1.00 0.00 C ATOM 711 C ALA A 90 -19.941 -30.121 -0.869 1.00 0.00 C ATOM 712 O ALA A 90 -20.667 -30.502 0.059 1.00 0.00 O ATOM 713 CB ALA A 90 -20.780 -28.647 -2.759 1.00 0.00 C ATOM 0 H ALA A 90 -18.008 -28.830 -1.977 1.00 0.00 H new ATOM 0 HA ALA A 90 -20.575 -28.142 -0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -21.782 -29.058 -2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -20.852 -27.609 -3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -20.242 -29.225 -3.510 1.00 0.00 H new ATOM 714 N CYS A 91 -18.929 -31.007 -1.485 1.00 0.00 N ATOM 715 CA CYS A 91 -18.705 -32.370 -1.014 1.00 0.00 C ATOM 716 C CYS A 91 -17.256 -32.582 -0.642 1.00 0.00 C ATOM 717 O CYS A 91 -16.466 -31.635 -0.533 1.00 0.00 O ATOM 718 CB CYS A 91 -19.182 -33.351 -2.103 1.00 0.00 C ATOM 719 SG CYS A 91 -20.602 -32.677 -2.994 1.00 0.00 S ATOM 0 H CYS A 91 -18.332 -30.730 -2.264 1.00 0.00 H new ATOM 0 HA CYS A 91 -19.280 -32.552 -0.106 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -18.369 -33.550 -2.802 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -19.451 -34.304 -1.648 1.00 0.00 H new ATOM 0 HG CYS A 91 -20.982 -33.521 -3.906 1.00 0.00 H new ATOM 720 N ARG A 92 -16.841 -33.980 -0.393 1.00 0.00 N ATOM 721 CA ARG A 92 -15.514 -34.314 0.117 1.00 0.00 C ATOM 722 C ARG A 92 -15.221 -33.566 1.395 1.00 0.00 C ATOM 723 O ARG A 92 -15.805 -33.819 2.446 1.00 0.00 O ATOM 724 CB ARG A 92 -14.460 -33.999 -0.979 1.00 0.00 C ATOM 725 CG ARG A 92 -13.042 -34.568 -0.705 1.00 0.00 C ATOM 726 CD ARG A 92 -12.340 -35.038 -1.986 1.00 0.00 C ATOM 727 NE ARG A 92 -12.623 -36.485 -2.170 1.00 0.00 N ATOM 728 CZ ARG A 92 -12.003 -37.476 -1.544 1.00 0.00 C ATOM 729 NH1 ARG A 92 -11.051 -37.313 -0.673 1.00 0.00 N ATOM 730 NH2 ARG A 92 -12.373 -38.676 -1.821 1.00 0.00 N ATOM 731 OXT ARG A 92 -14.234 -32.535 1.306 1.00 0.00 O ATOM 0 H ARG A 92 -17.442 -34.788 -0.558 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.473 -35.377 0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -14.817 -34.395 -1.930 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.386 -32.917 -1.091 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.434 -33.803 -0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.117 -35.403 -0.009 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.697 -34.469 -2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.266 -34.867 -1.915 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.356 -36.737 -2.833 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.736 -36.373 -0.432 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.620 -38.125 -0.231 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.117 -38.836 -2.500 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.922 -39.467 -1.362 1.00 0.00 H new TER 732 ARG A 92 HETATM 733 ZN ZN A 93 2.604 -1.699 4.192 1.00 0.00 ZN