USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot -14:sc= 1.52 USER MOD Set 1.2: A 57 SER OG : rot -53:sc= 0.331 USER MOD Set 2.1: A 7 THR OG1 : rot 122:sc= 0.0769 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0806 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 157:sc= 1.13 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 140:sc= 0.964 USER MOD Single : A 1 MET CE :methyl -118:sc= -0.0743 (180deg=-0.209) USER MOD Single : A 1 MET N :NH3+ -170:sc= 2.15 (180deg=1.68) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 1.2 (180deg=0.745) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -93:sc= 0.113 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 1.27 (180deg=1.16) USER MOD Single : A 29 LYS NZ :NH3+ 146:sc= 1.26 (180deg=0.955) USER MOD Single : A 31 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.17) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 41 GLN : amide:sc= 0.928 K(o=0.93,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 170:sc=-0.00205 (180deg=-0.113) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.24 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0268 X(o=-0.027,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.255 -7.104 -5.231 1.00 9.67 N ATOM 2 CA MET A 1 11.263 -7.014 -3.749 1.00 10.38 C ATOM 3 C MET A 1 9.903 -7.462 -3.236 1.00 9.62 C ATOM 4 O MET A 1 8.855 -7.306 -3.834 1.00 9.62 O ATOM 5 CB MET A 1 11.505 -5.545 -3.360 1.00 13.77 C ATOM 6 CG MET A 1 11.593 -5.269 -1.807 1.00 16.29 C ATOM 7 SD MET A 1 12.317 -3.709 -1.357 1.00 17.17 S ATOM 8 CE MET A 1 10.784 -2.811 -1.771 1.00 16.11 C ATOM 0 H1 MET A 1 12.220 -6.967 -5.592 1.00 9.67 H new ATOM 0 H2 MET A 1 10.907 -8.040 -5.520 1.00 9.67 H new ATOM 0 H3 MET A 1 10.632 -6.368 -5.620 1.00 9.67 H new ATOM 0 HA MET A 1 12.043 -7.644 -3.320 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.432 -5.210 -3.826 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.701 -4.938 -3.776 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.588 -5.320 -1.387 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.173 -6.068 -1.344 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.982 -2.107 -2.579 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.020 -3.521 -2.087 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.433 -2.267 -0.894 1.00 16.11 H new ATOM 20 N GLN A 2 9.934 -8.074 -2.013 1.00 9.27 N ATOM 21 CA GLN A 2 8.721 -8.583 -1.413 1.00 9.07 C ATOM 22 C GLN A 2 8.285 -7.754 -0.232 1.00 8.72 C ATOM 23 O GLN A 2 9.124 -7.396 0.620 1.00 8.22 O ATOM 24 CB GLN A 2 8.970 -10.059 -0.971 1.00 14.46 C ATOM 25 CG GLN A 2 7.812 -10.719 -0.303 1.00 17.01 C ATOM 26 CD GLN A 2 7.990 -12.231 -0.020 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.121 -12.699 1.091 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.865 -13.040 -1.099 1.00 19.49 N ATOM 0 H GLN A 2 10.778 -8.211 -1.457 1.00 9.27 H new ATOM 0 HA GLN A 2 7.919 -8.534 -2.150 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.246 -10.644 -1.848 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.823 -10.081 -0.292 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.618 -10.209 0.641 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.928 -10.584 -0.926 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.755 -12.636 -2.029 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.881 -14.053 -0.981 1.00 19.49 H new ATOM 37 N ILE A 3 6.927 -7.528 -0.156 1.00 5.87 N ATOM 38 CA ILE A 3 6.284 -6.791 0.947 1.00 5.07 C ATOM 39 C ILE A 3 4.974 -7.493 1.337 1.00 4.01 C ATOM 40 O ILE A 3 4.476 -8.332 0.600 1.00 4.61 O ATOM 41 CB ILE A 3 6.004 -5.301 0.720 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.113 -5.059 -0.454 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.419 -4.622 0.612 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.841 -3.507 -0.734 1.00 10.83 C ATOM 0 H ILE A 3 6.269 -7.857 -0.863 1.00 5.87 H new ATOM 0 HA ILE A 3 7.027 -6.810 1.744 1.00 5.07 H new ATOM 0 HB ILE A 3 5.439 -4.861 1.542 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.562 -5.508 -1.340 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.161 -5.563 -0.289 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.297 -3.551 0.449 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.973 -4.787 1.536 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.968 -5.056 -0.223 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.187 -3.403 -1.600 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.364 -3.058 0.137 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.787 -3.002 -0.931 1.00 10.83 H new ATOM 56 N PHE A 4 4.453 -7.154 2.480 1.00 4.55 N ATOM 57 CA PHE A 4 3.243 -7.703 3.044 1.00 4.68 C ATOM 58 C PHE A 4 2.210 -6.662 3.501 1.00 5.30 C ATOM 59 O PHE A 4 2.619 -5.661 3.975 1.00 5.58 O ATOM 60 CB PHE A 4 3.554 -8.531 4.299 1.00 4.83 C ATOM 61 CG PHE A 4 4.586 -9.606 4.058 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.284 -10.661 3.210 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.784 -9.567 4.828 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.247 -11.630 3.019 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.795 -10.535 4.524 1.00 10.61 C ATOM 66 CZ PHE A 4 6.521 -11.524 3.632 1.00 8.90 C ATOM 0 H PHE A 4 4.880 -6.449 3.081 1.00 4.55 H new ATOM 0 HA PHE A 4 2.826 -8.290 2.225 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.908 -7.866 5.087 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.635 -8.992 4.660 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.326 -10.722 2.715 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.924 -8.836 5.610 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.027 -12.482 2.393 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.764 -10.480 4.998 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.289 -12.243 3.386 1.00 8.90 H new ATOM 76 N VAL A 5 0.926 -6.928 3.312 1.00 4.44 N ATOM 77 CA VAL A 5 -0.194 -6.037 3.476 1.00 3.87 C ATOM 78 C VAL A 5 -1.252 -6.714 4.396 1.00 4.93 C ATOM 79 O VAL A 5 -1.829 -7.727 4.076 1.00 6.84 O ATOM 80 CB VAL A 5 -0.750 -5.477 2.177 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.741 -4.307 2.424 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.393 -5.057 1.284 1.00 9.13 C ATOM 0 H VAL A 5 0.624 -7.856 3.014 1.00 4.44 H new ATOM 0 HA VAL A 5 0.159 -5.134 3.974 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.322 -6.260 1.679 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.113 -3.938 1.468 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.577 -4.660 3.027 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.229 -3.501 2.950 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.003 -4.655 0.351 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.985 -4.292 1.787 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.023 -5.920 1.069 1.00 9.13 H new ATOM 92 N LYS A 6 -1.488 -6.075 5.571 1.00 6.04 N ATOM 93 CA LYS A 6 -2.395 -6.594 6.482 1.00 6.12 C ATOM 94 C LYS A 6 -3.651 -5.757 6.249 1.00 6.57 C ATOM 95 O LYS A 6 -3.754 -4.575 6.400 1.00 5.76 O ATOM 96 CB LYS A 6 -1.959 -6.220 7.945 1.00 7.45 C ATOM 97 CG LYS A 6 -0.579 -6.713 8.292 1.00 11.12 C ATOM 98 CD LYS A 6 -0.546 -8.241 8.366 1.00 14.54 C ATOM 99 CE LYS A 6 0.720 -8.852 9.030 1.00 18.84 C ATOM 100 NZ LYS A 6 0.590 -10.277 9.263 1.00 20.55 N ATOM 0 H LYS A 6 -1.037 -5.206 5.858 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.497 -7.673 6.369 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.992 -5.137 8.062 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.677 -6.639 8.650 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.134 -6.366 7.544 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.268 -6.292 9.248 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.423 -8.580 8.917 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.632 -8.638 7.355 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.585 -8.668 8.393 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.909 -8.348 9.978 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.535 -10.706 9.330 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.074 -10.438 10.151 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.068 -10.711 8.475 1.00 20.55 H new ATOM 114 N THR A 7 -4.692 -6.386 5.803 1.00 7.41 N ATOM 115 CA THR A 7 -5.984 -5.760 5.720 1.00 7.48 C ATOM 116 C THR A 7 -6.492 -5.307 7.110 1.00 8.75 C ATOM 117 O THR A 7 -6.071 -5.759 8.163 1.00 8.58 O ATOM 118 CB THR A 7 -6.991 -6.625 4.946 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.465 -7.741 5.695 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.235 -7.069 3.670 1.00 9.17 C ATOM 0 H THR A 7 -4.675 -7.354 5.483 1.00 7.41 H new ATOM 0 HA THR A 7 -5.874 -4.847 5.135 1.00 7.48 H new ATOM 0 HB THR A 7 -7.895 -6.060 4.718 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.441 -7.693 5.771 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.887 -7.694 3.059 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.937 -6.190 3.099 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.348 -7.637 3.952 1.00 9.17 H new ATOM 128 N LEU A 8 -7.590 -4.487 7.185 1.00 9.84 N ATOM 129 CA LEU A 8 -8.342 -4.220 8.435 1.00 14.15 C ATOM 130 C LEU A 8 -8.969 -5.465 9.031 1.00 17.37 C ATOM 131 O LEU A 8 -9.242 -5.507 10.230 1.00 17.01 O ATOM 132 CB LEU A 8 -9.479 -3.172 8.186 1.00 16.63 C ATOM 133 CG LEU A 8 -9.003 -1.747 7.650 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.279 -0.866 7.541 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.948 -1.048 8.429 1.00 18.59 C ATOM 0 H LEU A 8 -7.969 -3.998 6.374 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.607 -3.834 9.142 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.184 -3.592 7.469 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.023 -3.025 9.119 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.508 -1.921 6.695 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.007 0.125 7.177 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.982 -1.328 6.847 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.744 -0.777 8.523 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.719 -0.093 7.956 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.301 -0.874 9.445 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.049 -1.664 8.458 1.00 18.59 H new ATOM 147 N THR A 9 -9.213 -6.531 8.218 1.00 18.33 N ATOM 148 CA THR A 9 -9.659 -7.785 8.632 1.00 19.24 C ATOM 149 C THR A 9 -8.619 -8.799 8.749 1.00 19.48 C ATOM 150 O THR A 9 -8.877 -9.920 9.050 1.00 23.14 O ATOM 151 CB THR A 9 -10.784 -8.332 7.754 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.560 -8.140 6.387 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.972 -7.447 8.106 1.00 19.70 C ATOM 0 H THR A 9 -9.079 -6.479 7.208 1.00 18.33 H new ATOM 0 HA THR A 9 -10.036 -7.590 9.636 1.00 19.24 H new ATOM 0 HB THR A 9 -10.899 -9.402 7.925 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.310 -8.511 5.877 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.841 -7.757 7.526 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.193 -7.541 9.169 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.733 -6.409 7.875 1.00 19.70 H new ATOM 161 N GLY A 10 -7.292 -8.472 8.628 1.00 19.43 N ATOM 162 CA GLY A 10 -6.188 -9.322 9.127 1.00 18.74 C ATOM 163 C GLY A 10 -5.776 -10.444 8.226 1.00 17.62 C ATOM 164 O GLY A 10 -4.855 -11.189 8.504 1.00 19.74 O ATOM 0 H GLY A 10 -6.972 -7.612 8.182 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.320 -8.689 9.309 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.483 -9.742 10.089 1.00 18.74 H new ATOM 168 N LYS A 11 -6.328 -10.482 7.015 1.00 13.56 N ATOM 169 CA LYS A 11 -5.690 -11.092 5.919 1.00 11.91 C ATOM 170 C LYS A 11 -4.246 -10.561 5.716 1.00 10.18 C ATOM 171 O LYS A 11 -4.069 -9.374 5.653 1.00 9.10 O ATOM 172 CB LYS A 11 -6.481 -10.761 4.611 1.00 13.43 C ATOM 173 CG LYS A 11 -6.031 -11.567 3.395 1.00 16.69 C ATOM 174 CD LYS A 11 -7.026 -11.359 2.219 1.00 17.92 C ATOM 175 CE LYS A 11 -7.029 -12.510 1.138 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.190 -12.427 0.279 1.00 21.93 N ATOM 0 H LYS A 11 -7.239 -10.079 6.796 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.659 -12.162 6.123 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.542 -10.944 4.783 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.372 -9.699 4.391 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.030 -11.258 3.094 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.974 -12.625 3.651 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.032 -11.261 2.627 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.789 -10.417 1.725 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.123 -12.446 0.535 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.012 -13.479 1.637 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.003 -12.938 -0.608 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.008 -12.854 0.759 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.395 -11.430 0.067 1.00 21.93 H new ATOM 190 N THR A 12 -3.242 -11.459 5.561 1.00 9.63 N ATOM 191 CA THR A 12 -1.990 -11.006 5.101 1.00 9.85 C ATOM 192 C THR A 12 -1.829 -11.335 3.617 1.00 11.66 C ATOM 193 O THR A 12 -1.915 -12.471 3.179 1.00 12.33 O ATOM 194 CB THR A 12 -0.702 -11.543 5.766 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.864 -11.596 7.202 1.00 10.91 O ATOM 196 CG2 THR A 12 0.488 -10.693 5.456 1.00 9.63 C ATOM 0 H THR A 12 -3.309 -12.459 5.751 1.00 9.63 H new ATOM 0 HA THR A 12 -2.050 -9.948 5.357 1.00 9.85 H new ATOM 0 HB THR A 12 -0.533 -12.541 5.362 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.453 -12.416 7.548 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.369 -11.109 5.944 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.648 -10.670 4.378 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.316 -9.680 5.819 1.00 9.63 H new ATOM 204 N ILE A 13 -1.773 -10.368 2.731 1.00 10.42 N ATOM 205 CA ILE A 13 -1.508 -10.551 1.313 1.00 11.84 C ATOM 206 C ILE A 13 -0.055 -10.300 1.043 1.00 10.55 C ATOM 207 O ILE A 13 0.587 -9.610 1.776 1.00 11.92 O ATOM 208 CB ILE A 13 -2.337 -9.803 0.276 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.271 -8.205 0.348 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.801 -10.026 0.620 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.043 -7.564 -0.815 1.00 16.46 C ATOM 0 H ILE A 13 -1.916 -9.390 2.984 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.828 -11.582 1.162 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.958 -10.165 -0.680 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.687 -7.864 1.296 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.231 -7.880 0.321 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.428 -9.504 -0.103 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -4.023 -11.093 0.590 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.002 -9.641 1.620 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.980 -6.478 -0.739 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.610 -7.887 -1.761 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.088 -7.871 -0.771 1.00 16.46 H new ATOM 223 N THR A 14 0.447 -10.926 0.004 1.00 9.39 N ATOM 224 CA THR A 14 1.879 -10.904 -0.306 1.00 9.63 C ATOM 225 C THR A 14 2.049 -10.264 -1.625 1.00 11.20 C ATOM 226 O THR A 14 1.402 -10.662 -2.563 1.00 11.63 O ATOM 227 CB THR A 14 2.604 -12.270 -0.457 1.00 10.38 C ATOM 228 OG1 THR A 14 2.536 -13.043 0.745 1.00 16.30 O ATOM 229 CG2 THR A 14 4.132 -12.151 -0.721 1.00 11.66 C ATOM 0 H THR A 14 -0.114 -11.466 -0.655 1.00 9.39 H new ATOM 0 HA THR A 14 2.315 -10.396 0.554 1.00 9.63 H new ATOM 0 HB THR A 14 2.089 -12.727 -1.302 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.001 -13.896 0.612 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.564 -13.147 -0.814 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.300 -11.595 -1.643 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.605 -11.627 0.109 1.00 11.66 H new ATOM 237 N LEU A 15 2.953 -9.247 -1.788 1.00 8.29 N ATOM 238 CA LEU A 15 3.139 -8.510 -3.034 1.00 9.03 C ATOM 239 C LEU A 15 4.596 -8.656 -3.565 1.00 8.59 C ATOM 240 O LEU A 15 5.526 -8.692 -2.748 1.00 7.79 O ATOM 241 CB LEU A 15 2.804 -7.039 -2.893 1.00 11.08 C ATOM 242 CG LEU A 15 1.373 -6.669 -2.321 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.374 -5.190 -2.174 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.197 -7.241 -3.144 1.00 15.27 C ATOM 0 H LEU A 15 3.567 -8.931 -1.038 1.00 8.29 H new ATOM 0 HA LEU A 15 2.445 -8.950 -3.750 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.554 -6.583 -2.246 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.905 -6.575 -3.874 1.00 11.08 H new ATOM 0 HG LEU A 15 1.200 -7.145 -1.356 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.411 -4.863 -1.781 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.166 -4.893 -1.487 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.545 -4.728 -3.146 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.746 -6.943 -2.687 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.244 -6.856 -4.163 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.262 -8.329 -3.164 1.00 15.27 H new ATOM 256 N GLU A 16 4.846 -8.638 -4.899 1.00 11.04 N ATOM 257 CA GLU A 16 6.114 -8.470 -5.541 1.00 11.50 C ATOM 258 C GLU A 16 6.152 -7.018 -6.238 1.00 10.13 C ATOM 259 O GLU A 16 5.396 -6.650 -7.141 1.00 9.83 O ATOM 260 CB GLU A 16 6.461 -9.584 -6.593 1.00 17.22 C ATOM 261 CG GLU A 16 8.036 -9.598 -6.938 1.00 23.33 C ATOM 262 CD GLU A 16 8.873 -10.159 -5.793 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.418 -11.201 -5.228 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.003 -9.656 -5.527 1.00 28.86 O ATOM 0 H GLU A 16 4.092 -8.751 -5.577 1.00 11.04 H new ATOM 0 HA GLU A 16 6.875 -8.559 -4.766 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.163 -10.558 -6.205 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.889 -9.416 -7.505 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.204 -10.195 -7.835 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.366 -8.584 -7.163 1.00 23.33 H new ATOM 271 N VAL A 17 7.021 -6.150 -5.742 1.00 8.99 N ATOM 272 CA VAL A 17 7.148 -4.731 -5.983 1.00 8.85 C ATOM 273 C VAL A 17 8.689 -4.466 -6.242 1.00 8.04 C ATOM 274 O VAL A 17 9.566 -5.337 -6.057 1.00 8.99 O ATOM 275 CB VAL A 17 6.828 -3.890 -4.770 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.294 -3.691 -4.822 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.316 -4.471 -3.442 1.00 10.54 C ATOM 0 H VAL A 17 7.734 -6.467 -5.085 1.00 8.99 H new ATOM 0 HA VAL A 17 6.470 -4.471 -6.796 1.00 8.85 H new ATOM 0 HB VAL A 17 7.367 -2.943 -4.807 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.976 -3.087 -3.972 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.024 -3.184 -5.748 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.800 -4.662 -4.783 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.042 -3.800 -2.628 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.855 -5.445 -3.280 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.400 -4.583 -3.470 1.00 10.54 H new ATOM 287 N GLU A 18 8.999 -3.226 -6.633 1.00 7.29 N ATOM 288 CA GLU A 18 10.338 -2.662 -6.889 1.00 7.08 C ATOM 289 C GLU A 18 10.495 -1.375 -6.058 1.00 6.45 C ATOM 290 O GLU A 18 9.474 -0.655 -5.963 1.00 5.28 O ATOM 291 CB GLU A 18 10.585 -2.214 -8.375 1.00 10.28 C ATOM 292 CG GLU A 18 10.279 -3.221 -9.460 1.00 12.65 C ATOM 293 CD GLU A 18 11.023 -4.503 -9.317 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.248 -4.580 -9.039 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.334 -5.541 -9.492 1.00 18.17 O ATOM 0 H GLU A 18 8.268 -2.533 -6.792 1.00 7.29 H new ATOM 0 HA GLU A 18 11.038 -3.459 -6.638 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.987 -1.323 -8.563 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.631 -1.922 -8.470 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.209 -3.430 -9.457 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.515 -2.781 -10.429 1.00 12.65 H new ATOM 302 N PRO A 19 11.631 -0.976 -5.466 1.00 7.24 N ATOM 303 CA PRO A 19 11.658 0.190 -4.557 1.00 7.07 C ATOM 304 C PRO A 19 11.395 1.494 -5.198 1.00 6.65 C ATOM 305 O PRO A 19 11.018 2.491 -4.571 1.00 6.37 O ATOM 306 CB PRO A 19 13.100 0.058 -4.005 1.00 7.61 C ATOM 307 CG PRO A 19 13.902 -0.546 -5.221 1.00 8.16 C ATOM 308 CD PRO A 19 12.923 -1.640 -5.692 1.00 7.49 C ATOM 0 HA PRO A 19 10.865 0.180 -3.809 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.503 1.023 -3.698 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.139 -0.596 -3.134 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.099 0.195 -5.996 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.866 -0.955 -4.919 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.073 -1.905 -6.739 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.021 -2.558 -5.113 1.00 7.49 H new ATOM 316 N SER A 20 11.561 1.518 -6.513 1.00 6.80 N ATOM 317 CA SER A 20 11.201 2.582 -7.440 1.00 6.28 C ATOM 318 C SER A 20 9.812 2.713 -7.977 1.00 8.45 C ATOM 319 O SER A 20 9.536 3.707 -8.594 1.00 7.26 O ATOM 320 CB SER A 20 11.995 2.323 -8.736 1.00 8.57 C ATOM 321 OG SER A 20 12.133 0.953 -9.051 1.00 11.13 O ATOM 0 H SER A 20 11.986 0.728 -6.999 1.00 6.80 H new ATOM 0 HA SER A 20 11.383 3.465 -6.827 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.498 2.829 -9.564 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.986 2.767 -8.640 1.00 8.57 H new ATOM 0 HG SER A 20 12.974 0.615 -8.679 1.00 11.13 H new ATOM 327 N ASP A 21 8.900 1.816 -7.661 1.00 7.50 N ATOM 328 CA ASP A 21 7.447 1.902 -7.857 1.00 7.70 C ATOM 329 C ASP A 21 6.894 2.975 -6.852 1.00 7.08 C ATOM 330 O ASP A 21 7.404 3.215 -5.732 1.00 8.11 O ATOM 331 CB ASP A 21 6.844 0.560 -7.445 1.00 11.00 C ATOM 332 CG ASP A 21 7.170 -0.515 -8.486 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.675 -0.246 -9.588 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.800 -1.686 -8.191 1.00 14.36 O ATOM 0 H ASP A 21 9.166 0.933 -7.225 1.00 7.50 H new ATOM 0 HA ASP A 21 7.207 2.153 -8.890 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.234 0.263 -6.472 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.763 0.657 -7.339 1.00 11.00 H new ATOM 339 N THR A 22 5.867 3.703 -7.309 1.00 5.37 N ATOM 340 CA THR A 22 5.124 4.629 -6.491 1.00 6.01 C ATOM 341 C THR A 22 4.201 4.009 -5.530 1.00 8.01 C ATOM 342 O THR A 22 3.871 2.817 -5.581 1.00 8.11 O ATOM 343 CB THR A 22 4.278 5.700 -7.266 1.00 8.92 C ATOM 344 OG1 THR A 22 3.372 5.067 -8.112 1.00 10.22 O ATOM 345 CG2 THR A 22 5.038 6.639 -8.176 1.00 9.65 C ATOM 0 H THR A 22 5.536 3.654 -8.273 1.00 5.37 H new ATOM 0 HA THR A 22 5.952 5.114 -5.974 1.00 6.01 H new ATOM 0 HB THR A 22 3.837 6.283 -6.458 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.846 5.741 -8.591 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.341 7.329 -8.652 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.765 7.203 -7.592 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.557 6.063 -8.942 1.00 9.65 H new ATOM 353 N ILE A 23 3.770 4.765 -4.494 1.00 8.32 N ATOM 354 CA ILE A 23 2.758 4.301 -3.504 1.00 9.92 C ATOM 355 C ILE A 23 1.495 3.880 -4.224 1.00 10.01 C ATOM 356 O ILE A 23 0.979 2.805 -3.977 1.00 8.71 O ATOM 357 CB ILE A 23 2.476 5.322 -2.382 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.840 5.727 -1.710 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.529 4.908 -1.274 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.690 4.502 -1.135 1.00 12.30 C ATOM 0 H ILE A 23 4.109 5.710 -4.317 1.00 8.32 H new ATOM 0 HA ILE A 23 3.178 3.436 -2.990 1.00 9.92 H new ATOM 0 HB ILE A 23 1.967 6.135 -2.899 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.446 6.260 -2.442 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.636 6.424 -0.897 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.427 5.724 -0.559 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.553 4.673 -1.698 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.925 4.028 -0.767 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.613 4.876 -0.691 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.108 3.980 -0.376 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.930 3.814 -1.945 1.00 12.30 H new ATOM 372 N GLU A 24 1.056 4.617 -5.270 1.00 9.54 N ATOM 373 CA GLU A 24 -0.150 4.250 -5.962 1.00 11.81 C ATOM 374 C GLU A 24 -0.008 3.096 -6.971 1.00 11.14 C ATOM 375 O GLU A 24 -0.949 2.428 -7.363 1.00 10.62 O ATOM 376 CB GLU A 24 -0.841 5.467 -6.653 1.00 19.24 C ATOM 377 CG GLU A 24 0.044 6.095 -7.751 1.00 27.76 C ATOM 378 CD GLU A 24 -0.448 7.297 -8.546 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.109 8.206 -7.922 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.146 7.356 -9.784 1.00 34.80 O ATOM 0 H GLU A 24 1.524 5.449 -5.630 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.786 3.878 -5.158 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -1.786 5.146 -7.090 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -1.077 6.222 -5.903 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.984 6.383 -7.281 1.00 27.76 H new ATOM 0 HG3 GLU A 24 0.275 5.307 -8.468 1.00 27.76 H new ATOM 387 N ASN A 25 1.252 2.739 -7.368 1.00 9.43 N ATOM 388 CA ASN A 25 1.511 1.573 -8.195 1.00 10.96 C ATOM 389 C ASN A 25 1.202 0.330 -7.434 1.00 9.68 C ATOM 390 O ASN A 25 0.599 -0.635 -7.926 1.00 9.33 O ATOM 391 CB ASN A 25 2.927 1.704 -8.723 1.00 16.78 C ATOM 392 CG ASN A 25 3.147 0.676 -9.841 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.468 -0.467 -9.425 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.918 1.060 -11.094 1.00 24.70 N ATOM 0 H ASN A 25 2.091 3.261 -7.114 1.00 9.43 H new ATOM 0 HA ASN A 25 0.859 1.508 -9.066 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.095 2.712 -9.102 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.644 1.543 -7.918 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.997 0.387 -11.856 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.663 2.027 -11.292 1.00 24.70 H new ATOM 401 N VAL A 26 1.574 0.326 -6.153 1.00 6.52 N ATOM 402 CA VAL A 26 1.135 -0.735 -5.254 1.00 5.53 C ATOM 403 C VAL A 26 -0.292 -0.877 -4.938 1.00 4.42 C ATOM 404 O VAL A 26 -0.808 -1.949 -4.929 1.00 3.40 O ATOM 405 CB VAL A 26 1.901 -0.538 -3.891 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.658 -1.802 -2.999 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.403 -0.309 -4.219 1.00 8.12 C ATOM 0 H VAL A 26 2.168 1.034 -5.723 1.00 6.52 H new ATOM 0 HA VAL A 26 1.357 -1.645 -5.812 1.00 5.53 H new ATOM 0 HB VAL A 26 1.543 0.327 -3.333 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.181 -1.684 -2.050 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.590 -1.916 -2.813 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.033 -2.687 -3.512 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.960 -0.169 -3.293 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.795 -1.175 -4.751 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.508 0.578 -4.843 1.00 8.12 H new ATOM 417 N LYS A 27 -0.957 0.279 -4.814 1.00 2.64 N ATOM 418 CA LYS A 27 -2.451 0.319 -4.732 1.00 4.14 C ATOM 419 C LYS A 27 -3.159 -0.425 -5.879 1.00 5.58 C ATOM 420 O LYS A 27 -4.093 -1.156 -5.698 1.00 4.11 O ATOM 421 CB LYS A 27 -3.020 1.749 -4.541 1.00 3.97 C ATOM 422 CG LYS A 27 -2.345 2.525 -3.373 1.00 7.45 C ATOM 423 CD LYS A 27 -3.172 3.722 -2.978 1.00 9.02 C ATOM 424 CE LYS A 27 -2.408 4.714 -2.093 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.377 5.795 -1.786 1.00 15.47 N ATOM 0 H LYS A 27 -0.507 1.193 -4.767 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.681 -0.235 -3.822 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.890 2.311 -5.466 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.092 1.685 -4.355 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.220 1.864 -2.515 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.348 2.849 -3.673 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.512 4.234 -3.878 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.062 3.383 -2.449 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.053 4.234 -1.181 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.532 5.107 -2.609 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.044 6.336 -0.962 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.461 6.429 -2.606 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.306 5.379 -1.574 1.00 15.47 H new ATOM 439 N ALA A 28 -2.635 -0.185 -7.069 1.00 6.61 N ATOM 440 CA ALA A 28 -3.088 -0.729 -8.318 1.00 7.74 C ATOM 441 C ALA A 28 -2.833 -2.240 -8.303 1.00 9.17 C ATOM 442 O ALA A 28 -3.692 -3.016 -8.841 1.00 11.45 O ATOM 443 CB ALA A 28 -2.312 -0.022 -9.393 1.00 7.68 C ATOM 0 H ALA A 28 -1.833 0.434 -7.185 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.154 -0.583 -8.493 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.617 -0.398 -10.369 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.508 1.049 -9.339 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.246 -0.203 -9.251 1.00 7.68 H new ATOM 449 N LYS A 29 -1.682 -2.641 -7.733 1.00 8.96 N ATOM 450 CA LYS A 29 -1.289 -4.029 -7.676 1.00 7.90 C ATOM 451 C LYS A 29 -2.269 -4.727 -6.658 1.00 6.92 C ATOM 452 O LYS A 29 -2.682 -5.817 -6.866 1.00 6.87 O ATOM 453 CB LYS A 29 0.206 -4.173 -7.091 1.00 10.28 C ATOM 454 CG LYS A 29 0.776 -5.605 -7.186 1.00 14.94 C ATOM 455 CD LYS A 29 2.313 -5.577 -7.357 1.00 19.69 C ATOM 456 CE LYS A 29 2.611 -5.345 -8.842 1.00 22.63 C ATOM 457 NZ LYS A 29 4.083 -5.148 -8.998 1.00 24.98 N ATOM 0 H LYS A 29 -1.012 -2.002 -7.305 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.323 -4.470 -8.672 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.865 -3.493 -7.631 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.210 -3.859 -6.047 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.516 -6.164 -6.287 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.322 -6.126 -8.029 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.751 -4.784 -6.750 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.753 -6.516 -7.021 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.277 -6.197 -9.434 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.070 -4.472 -9.206 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.392 -5.548 -9.907 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.302 -4.132 -8.974 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.582 -5.627 -8.221 1.00 24.98 H new ATOM 471 N ILE A 30 -2.668 -4.031 -5.579 1.00 4.57 N ATOM 472 CA ILE A 30 -3.634 -4.489 -4.661 1.00 5.58 C ATOM 473 C ILE A 30 -5.064 -4.602 -5.251 1.00 7.26 C ATOM 474 O ILE A 30 -5.799 -5.539 -4.902 1.00 9.46 O ATOM 475 CB ILE A 30 -3.628 -3.665 -3.407 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.221 -3.913 -2.736 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.802 -4.077 -2.458 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.996 -3.004 -1.524 1.00 2.00 C ATOM 0 H ILE A 30 -2.294 -3.111 -5.347 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.338 -5.508 -4.412 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.778 -2.607 -3.621 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.145 -4.955 -2.427 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.434 -3.741 -3.470 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.774 -3.464 -1.557 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.753 -3.927 -2.969 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.698 -5.127 -2.186 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.016 -3.208 -1.093 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.045 -1.961 -1.837 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.767 -3.195 -0.778 1.00 2.00 H new ATOM 490 N GLN A 31 -5.461 -3.677 -6.175 1.00 7.06 N ATOM 491 CA GLN A 31 -6.656 -3.830 -7.014 1.00 8.67 C ATOM 492 C GLN A 31 -6.627 -5.130 -7.828 1.00 10.90 C ATOM 493 O GLN A 31 -7.581 -5.899 -7.948 1.00 9.63 O ATOM 494 CB GLN A 31 -6.837 -2.648 -7.984 1.00 9.12 C ATOM 495 CG GLN A 31 -8.232 -2.618 -8.649 1.00 10.76 C ATOM 496 CD GLN A 31 -8.440 -1.412 -9.537 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.456 -0.748 -9.568 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.472 -1.211 -10.485 1.00 14.76 N ATOM 0 H GLN A 31 -4.951 -2.810 -6.347 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.497 -3.859 -6.321 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.678 -1.715 -7.444 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.073 -2.701 -8.759 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.366 -3.524 -9.240 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.998 -2.627 -7.873 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.616 -1.765 -10.465 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.607 -0.507 -11.211 1.00 14.76 H new ATOM 507 N ASP A 32 -5.472 -5.440 -8.542 1.00 10.93 N ATOM 508 CA ASP A 32 -5.360 -6.642 -9.329 1.00 14.01 C ATOM 509 C ASP A 32 -5.396 -7.873 -8.452 1.00 14.04 C ATOM 510 O ASP A 32 -6.110 -8.795 -8.841 1.00 13.39 O ATOM 511 CB ASP A 32 -4.097 -6.607 -10.196 1.00 18.01 C ATOM 512 CG ASP A 32 -4.343 -5.914 -11.490 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.444 -5.441 -11.762 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.392 -5.729 -12.249 1.00 26.29 O ATOM 0 H ASP A 32 -4.640 -4.850 -8.558 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.220 -6.693 -9.996 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.298 -6.099 -9.656 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.757 -7.625 -10.386 1.00 18.01 H new ATOM 519 N LYS A 33 -4.758 -7.886 -7.275 1.00 14.22 N ATOM 520 CA LYS A 33 -4.920 -8.980 -6.343 1.00 14.00 C ATOM 521 C LYS A 33 -6.246 -9.125 -5.679 1.00 12.37 C ATOM 522 O LYS A 33 -6.819 -10.213 -5.773 1.00 12.17 O ATOM 523 CB LYS A 33 -3.852 -8.800 -5.145 1.00 18.62 C ATOM 524 CG LYS A 33 -2.313 -8.909 -5.474 1.00 24.00 C ATOM 525 CD LYS A 33 -1.839 -10.311 -5.820 1.00 27.61 C ATOM 526 CE LYS A 33 -0.387 -10.392 -6.148 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.033 -11.755 -6.511 1.00 30.06 N ATOM 0 H LYS A 33 -4.129 -7.148 -6.957 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.786 -9.864 -6.966 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.024 -7.823 -4.694 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.080 -9.547 -4.385 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.085 -8.246 -6.309 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.745 -8.549 -4.616 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.050 -10.973 -4.980 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.415 -10.680 -6.669 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.154 -9.716 -6.970 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.206 -10.069 -5.292 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.981 -11.802 -6.738 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.239 -12.391 -5.714 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.587 -12.048 -7.341 1.00 30.06 H new ATOM 541 N GLU A 34 -6.825 -8.107 -4.960 1.00 10.11 N ATOM 542 CA GLU A 34 -8.031 -8.196 -4.100 1.00 10.07 C ATOM 543 C GLU A 34 -9.280 -7.545 -4.669 1.00 9.32 C ATOM 544 O GLU A 34 -10.377 -7.901 -4.330 1.00 11.61 O ATOM 545 CB GLU A 34 -7.698 -7.627 -2.653 1.00 14.77 C ATOM 546 CG GLU A 34 -6.629 -8.528 -1.929 1.00 18.75 C ATOM 547 CD GLU A 34 -7.139 -9.874 -1.494 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.042 -9.886 -0.604 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.593 -10.911 -2.016 1.00 25.19 O ATOM 0 H GLU A 34 -6.437 -7.164 -4.973 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.281 -9.255 -4.045 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.324 -6.607 -2.736 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.609 -7.585 -2.056 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.782 -8.674 -2.599 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.256 -7.995 -1.054 1.00 18.75 H new ATOM 556 N GLY A 35 -9.197 -6.580 -5.589 1.00 7.22 N ATOM 557 CA GLY A 35 -10.366 -5.888 -6.162 1.00 6.29 C ATOM 558 C GLY A 35 -10.669 -4.557 -5.504 1.00 6.93 C ATOM 559 O GLY A 35 -11.633 -3.969 -5.904 1.00 7.41 O ATOM 0 H GLY A 35 -8.308 -6.250 -5.964 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.196 -5.727 -7.226 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.239 -6.534 -6.073 1.00 6.29 H new ATOM 563 N ILE A 36 -9.844 -4.126 -4.607 1.00 5.86 N ATOM 564 CA ILE A 36 -10.081 -2.881 -3.944 1.00 6.07 C ATOM 565 C ILE A 36 -9.606 -1.771 -4.883 1.00 6.36 C ATOM 566 O ILE A 36 -8.374 -1.720 -5.128 1.00 6.18 O ATOM 567 CB ILE A 36 -9.295 -2.710 -2.673 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.596 -3.966 -1.702 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.518 -1.369 -1.915 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.375 -4.307 -0.880 1.00 9.49 C ATOM 0 H ILE A 36 -8.999 -4.616 -4.315 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.142 -2.848 -3.697 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.247 -2.674 -2.972 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.431 -3.731 -1.042 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.893 -4.830 -2.297 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -8.903 -1.353 -1.015 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.239 -0.536 -2.560 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.568 -1.278 -1.638 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.598 -5.155 -0.233 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.550 -4.564 -1.544 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.096 -3.448 -0.270 1.00 9.49 H new ATOM 582 N PRO A 37 -10.401 -0.775 -5.388 1.00 8.65 N ATOM 583 CA PRO A 37 -9.887 0.312 -6.161 1.00 9.18 C ATOM 584 C PRO A 37 -8.720 1.161 -5.472 1.00 9.85 C ATOM 585 O PRO A 37 -8.762 1.348 -4.232 1.00 8.51 O ATOM 586 CB PRO A 37 -11.070 1.145 -6.513 1.00 11.42 C ATOM 587 CG PRO A 37 -12.366 0.294 -6.345 1.00 9.27 C ATOM 588 CD PRO A 37 -11.879 -0.687 -5.237 1.00 8.33 C ATOM 0 HA PRO A 37 -9.379 -0.083 -7.041 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.113 2.025 -5.872 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.986 1.502 -7.539 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.222 0.891 -6.031 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.654 -0.219 -7.263 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.149 -0.322 -4.246 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.342 -1.667 -5.352 1.00 8.33 H new ATOM 596 N PRO A 38 -7.745 1.763 -6.219 1.00 8.71 N ATOM 597 CA PRO A 38 -6.729 2.707 -5.759 1.00 9.08 C ATOM 598 C PRO A 38 -7.331 4.006 -5.272 1.00 9.28 C ATOM 599 O PRO A 38 -6.592 4.793 -4.690 1.00 6.50 O ATOM 600 CB PRO A 38 -5.756 2.819 -6.918 1.00 10.31 C ATOM 601 CG PRO A 38 -6.499 2.332 -8.216 1.00 10.81 C ATOM 602 CD PRO A 38 -7.587 1.413 -7.613 1.00 12.00 C ATOM 0 HA PRO A 38 -6.197 2.370 -4.869 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.417 3.848 -7.035 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.870 2.211 -6.734 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.927 3.160 -8.780 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.835 1.794 -8.893 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.529 1.537 -8.146 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.300 0.366 -7.713 1.00 12.00 H new ATOM 610 N ASP A 39 -8.649 4.174 -5.393 1.00 11.20 N ATOM 611 CA ASP A 39 -9.281 5.425 -5.015 1.00 14.96 C ATOM 612 C ASP A 39 -9.927 5.201 -3.646 1.00 13.99 C ATOM 613 O ASP A 39 -10.439 6.132 -2.983 1.00 13.75 O ATOM 614 CB ASP A 39 -10.515 5.694 -5.992 1.00 24.16 C ATOM 615 CG ASP A 39 -9.996 5.715 -7.412 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.073 6.474 -7.768 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.583 4.985 -8.221 1.00 34.22 O ATOM 0 H ASP A 39 -9.289 3.463 -5.747 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.550 6.233 -5.037 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.270 4.916 -5.874 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.994 6.642 -5.748 1.00 24.16 H new ATOM 622 N GLN A 40 -9.948 3.987 -3.073 1.00 11.60 N ATOM 623 CA GLN A 40 -10.523 3.646 -1.752 1.00 10.76 C ATOM 624 C GLN A 40 -9.351 3.174 -0.840 1.00 8.01 C ATOM 625 O GLN A 40 -9.634 2.642 0.223 1.00 8.96 O ATOM 626 CB GLN A 40 -11.525 2.471 -1.814 1.00 11.14 C ATOM 627 CG GLN A 40 -12.749 2.906 -2.735 1.00 14.85 C ATOM 628 CD GLN A 40 -13.833 1.861 -2.571 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.690 0.748 -2.061 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.007 2.202 -3.170 1.00 18.16 N ATOM 0 H GLN A 40 -9.546 3.173 -3.538 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.045 4.529 -1.384 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.042 1.581 -2.219 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.874 2.217 -0.813 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.117 3.890 -2.444 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.439 2.977 -3.778 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.116 3.125 -3.589 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.777 1.534 -3.199 1.00 18.16 H new ATOM 639 N GLN A 41 -8.069 3.334 -1.205 1.00 6.52 N ATOM 640 CA GLN A 41 -6.977 2.728 -0.531 1.00 3.87 C ATOM 641 C GLN A 41 -6.074 3.811 0.074 1.00 4.79 C ATOM 642 O GLN A 41 -5.408 4.537 -0.653 1.00 6.34 O ATOM 643 CB GLN A 41 -6.049 1.900 -1.441 1.00 4.20 C ATOM 644 CG GLN A 41 -6.630 0.485 -1.687 1.00 3.20 C ATOM 645 CD GLN A 41 -5.653 -0.419 -2.446 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.488 -0.577 -2.018 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.089 -0.927 -3.642 1.00 7.13 N ATOM 0 H GLN A 41 -7.787 3.908 -2.000 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.440 2.073 0.207 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.916 2.413 -2.394 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.063 1.818 -0.983 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.879 0.025 -0.731 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.558 0.569 -2.252 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.050 -0.768 -3.943 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.452 -1.464 -4.231 1.00 7.13 H new ATOM 656 N ARG A 42 -5.905 3.736 1.352 1.00 5.73 N ATOM 657 CA ARG A 42 -4.788 4.358 2.084 1.00 6.97 C ATOM 658 C ARG A 42 -3.853 3.303 2.608 1.00 7.15 C ATOM 659 O ARG A 42 -4.312 2.247 3.045 1.00 7.33 O ATOM 660 CB ARG A 42 -5.276 5.192 3.232 1.00 13.23 C ATOM 661 CG ARG A 42 -4.227 5.948 4.059 1.00 21.27 C ATOM 662 CD ARG A 42 -4.938 6.719 5.145 1.00 26.14 C ATOM 663 NE ARG A 42 -5.649 7.847 4.582 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.470 8.619 5.228 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.937 8.310 6.410 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.822 9.825 4.658 1.00 36.39 N ATOM 0 H ARG A 42 -6.548 3.229 1.960 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.262 5.005 1.382 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.984 5.922 2.840 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.831 4.541 3.908 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -3.513 5.249 4.496 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -3.660 6.627 3.422 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -5.637 6.064 5.666 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.216 7.068 5.884 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.492 8.053 3.595 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.658 7.436 6.856 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.580 8.943 6.886 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.439 10.091 3.751 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.465 10.450 5.144 1.00 36.39 H new ATOM 680 N LEU A 43 -2.505 3.546 2.485 1.00 4.65 N ATOM 681 CA LEU A 43 -1.488 2.610 3.010 1.00 3.51 C ATOM 682 C LEU A 43 -0.745 3.289 4.146 1.00 5.56 C ATOM 683 O LEU A 43 -0.399 4.468 3.990 1.00 4.19 O ATOM 684 CB LEU A 43 -0.457 2.244 1.884 1.00 3.74 C ATOM 685 CG LEU A 43 -1.171 1.647 0.628 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.293 1.356 -0.572 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.024 0.396 0.986 1.00 6.41 C ATOM 0 H LEU A 43 -2.118 4.373 2.032 1.00 4.65 H new ATOM 0 HA LEU A 43 -1.980 1.701 3.357 1.00 3.51 H new ATOM 0 HB2 LEU A 43 0.102 3.135 1.597 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.265 1.525 2.270 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.819 2.463 0.307 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.902 0.946 -1.378 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.181 2.278 -0.908 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.475 0.634 -0.294 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.503 0.012 0.085 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.380 -0.374 1.411 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.787 0.672 1.713 1.00 6.41 H new ATOM 699 N ILE A 44 -0.564 2.572 5.242 1.00 4.58 N ATOM 700 CA ILE A 44 0.051 2.986 6.452 1.00 5.55 C ATOM 701 C ILE A 44 1.383 2.231 6.719 1.00 5.46 C ATOM 702 O ILE A 44 1.414 1.022 6.631 1.00 6.04 O ATOM 703 CB ILE A 44 -0.749 2.722 7.773 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.124 3.463 7.483 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.097 3.271 9.047 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.253 4.992 7.623 1.00 13.90 C ATOM 0 H ILE A 44 -0.878 1.603 5.292 1.00 4.58 H new ATOM 0 HA ILE A 44 0.149 4.056 6.268 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.825 1.655 7.982 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.412 3.212 6.462 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.870 3.019 8.143 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.725 3.038 9.907 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.884 2.814 9.180 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.015 4.352 8.962 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.271 5.295 7.380 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.022 5.284 8.647 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.557 5.480 6.941 1.00 13.90 H new ATOM 718 N PHE A 45 2.432 3.001 7.127 1.00 6.75 N ATOM 719 CA PHE A 45 3.666 2.471 7.692 1.00 4.70 C ATOM 720 C PHE A 45 4.233 3.598 8.467 1.00 6.34 C ATOM 721 O PHE A 45 4.223 4.808 8.091 1.00 5.45 O ATOM 722 CB PHE A 45 4.526 1.887 6.475 1.00 5.51 C ATOM 723 CG PHE A 45 5.980 1.653 6.615 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.373 0.829 7.687 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.942 2.275 5.832 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.740 0.705 7.973 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.351 2.016 6.005 1.00 6.64 C ATOM 728 CZ PHE A 45 8.734 1.230 7.117 1.00 6.84 C ATOM 0 H PHE A 45 2.424 4.019 7.063 1.00 6.75 H new ATOM 0 HA PHE A 45 3.585 1.631 8.382 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.075 0.936 6.192 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.391 2.566 5.633 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.637 0.303 8.277 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.627 2.973 5.071 1.00 5.87 H new ATOM 0 HE1 PHE A 45 8.042 0.193 8.875 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.083 2.406 5.314 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.778 1.033 7.310 1.00 6.84 H new ATOM 738 N ALA A 46 4.729 3.285 9.674 1.00 6.53 N ATOM 739 CA ALA A 46 5.314 4.267 10.588 1.00 7.15 C ATOM 740 C ALA A 46 4.385 5.448 10.985 1.00 9.00 C ATOM 741 O ALA A 46 4.714 6.569 11.214 1.00 11.15 O ATOM 742 CB ALA A 46 6.696 4.691 10.033 1.00 8.99 C ATOM 0 H ALA A 46 4.733 2.334 10.042 1.00 6.53 H new ATOM 0 HA ALA A 46 5.454 3.785 11.555 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.148 5.424 10.702 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.343 3.817 9.962 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.571 5.131 9.044 1.00 8.99 H new ATOM 748 N GLY A 47 3.104 5.121 11.140 1.00 9.35 N ATOM 749 CA GLY A 47 2.050 6.053 11.457 1.00 11.68 C ATOM 750 C GLY A 47 1.659 6.945 10.344 1.00 11.14 C ATOM 751 O GLY A 47 0.693 7.688 10.448 1.00 13.93 O ATOM 0 H GLY A 47 2.770 4.162 11.043 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.173 5.492 11.781 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.367 6.665 12.301 1.00 11.68 H new ATOM 755 N LYS A 48 2.304 6.872 9.177 1.00 10.47 N ATOM 756 CA LYS A 48 2.092 7.776 8.118 1.00 8.82 C ATOM 757 C LYS A 48 1.141 7.241 7.004 1.00 7.68 C ATOM 758 O LYS A 48 1.044 6.017 6.764 1.00 6.47 O ATOM 759 CB LYS A 48 3.408 8.047 7.338 1.00 9.74 C ATOM 760 CG LYS A 48 4.608 8.441 8.218 1.00 14.14 C ATOM 761 CD LYS A 48 5.704 9.056 7.364 1.00 16.32 C ATOM 762 CE LYS A 48 7.104 9.253 8.050 1.00 20.04 C ATOM 763 NZ LYS A 48 7.644 7.965 8.514 1.00 23.92 N ATOM 0 H LYS A 48 2.998 6.154 8.969 1.00 10.47 H new ATOM 0 HA LYS A 48 1.674 8.649 8.619 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.669 7.153 6.771 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.228 8.843 6.615 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.291 9.151 8.982 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.991 7.563 8.738 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.842 8.429 6.483 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.357 10.028 7.013 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.798 9.711 7.345 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.008 9.937 8.893 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.634 8.089 8.808 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.083 7.624 9.321 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.597 7.270 7.741 1.00 23.92 H new ATOM 777 N GLN A 49 0.368 8.163 6.424 1.00 8.89 N ATOM 778 CA GLN A 49 -0.625 7.885 5.455 1.00 7.18 C ATOM 779 C GLN A 49 -0.074 7.757 4.035 1.00 8.23 C ATOM 780 O GLN A 49 -0.917 7.514 3.125 1.00 9.70 O ATOM 781 CB GLN A 49 -1.796 8.881 5.630 1.00 11.67 C ATOM 782 CG GLN A 49 -1.347 10.361 5.702 1.00 15.82 C ATOM 783 CD GLN A 49 -2.487 11.334 5.479 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.404 12.249 4.634 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.591 11.147 6.265 1.00 20.67 N ATOM 0 H GLN A 49 0.442 9.156 6.645 1.00 8.89 H new ATOM 0 HA GLN A 49 -1.028 6.887 5.628 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.491 8.761 4.799 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.341 8.631 6.540 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -0.898 10.552 6.677 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -0.574 10.538 4.955 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.612 10.384 6.942 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.393 11.770 6.174 1.00 20.67 H new ATOM 794 N LEU A 50 1.248 7.986 3.873 1.00 6.51 N ATOM 795 CA LEU A 50 1.992 7.826 2.617 1.00 7.41 C ATOM 796 C LEU A 50 1.450 8.503 1.320 1.00 8.27 C ATOM 797 O LEU A 50 0.426 8.126 0.722 1.00 8.34 O ATOM 798 CB LEU A 50 2.175 6.322 2.362 1.00 7.13 C ATOM 799 CG LEU A 50 2.665 5.493 3.617 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.573 3.981 3.448 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.129 5.861 4.015 1.00 9.11 C ATOM 0 H LEU A 50 1.841 8.298 4.643 1.00 6.51 H new ATOM 0 HA LEU A 50 2.917 8.375 2.796 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.227 5.908 2.018 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.893 6.189 1.553 1.00 7.13 H new ATOM 0 HG LEU A 50 1.972 5.776 4.409 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.929 3.491 4.354 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.536 3.698 3.265 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.188 3.671 2.603 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.430 5.271 4.881 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.797 5.648 3.181 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.183 6.921 4.262 1.00 9.11 H new ATOM 813 N GLU A 51 2.221 9.477 0.858 1.00 9.43 N ATOM 814 CA GLU A 51 1.850 10.235 -0.332 1.00 11.90 C ATOM 815 C GLU A 51 1.898 9.461 -1.654 1.00 11.49 C ATOM 816 O GLU A 51 2.916 8.787 -1.865 1.00 9.88 O ATOM 817 CB GLU A 51 2.649 11.535 -0.510 1.00 16.56 C ATOM 818 CG GLU A 51 2.273 12.519 0.564 1.00 26.06 C ATOM 819 CD GLU A 51 3.197 13.705 0.560 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.905 14.647 -0.136 1.00 33.44 O ATOM 821 OE2 GLU A 51 4.246 13.716 1.255 1.00 32.13 O ATOM 0 H GLU A 51 3.103 9.761 1.285 1.00 9.43 H new ATOM 0 HA GLU A 51 0.806 10.466 -0.121 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.717 11.324 -0.464 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.450 11.963 -1.493 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.247 12.853 0.412 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.308 12.030 1.538 1.00 26.06 H new ATOM 828 N ASP A 52 0.858 9.583 -2.524 1.00 12.71 N ATOM 829 CA ASP A 52 0.659 8.674 -3.645 1.00 16.56 C ATOM 830 C ASP A 52 1.740 8.745 -4.753 1.00 15.83 C ATOM 831 O ASP A 52 2.153 7.731 -5.319 1.00 17.21 O ATOM 832 CB ASP A 52 -0.768 8.700 -4.275 1.00 21.05 C ATOM 833 CG ASP A 52 -1.364 10.059 -4.361 1.00 25.12 C ATOM 834 OD1 ASP A 52 -0.843 10.875 -5.116 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.395 10.367 -3.720 1.00 28.37 O ATOM 0 H ASP A 52 0.150 10.314 -2.454 1.00 12.71 H new ATOM 0 HA ASP A 52 0.772 7.708 -3.153 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.720 8.271 -5.276 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.426 8.062 -3.686 1.00 21.05 H new ATOM 840 N GLY A 53 2.206 10.001 -5.072 1.00 15.00 N ATOM 841 CA GLY A 53 3.230 10.220 -6.104 1.00 11.77 C ATOM 842 C GLY A 53 4.659 9.987 -5.608 1.00 11.10 C ATOM 843 O GLY A 53 5.622 10.248 -6.352 1.00 11.25 O ATOM 0 H GLY A 53 1.879 10.856 -4.622 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.034 9.556 -6.946 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.146 11.241 -6.477 1.00 11.77 H new ATOM 847 N ARG A 54 4.885 9.584 -4.330 1.00 8.53 N ATOM 848 CA ARG A 54 6.251 9.238 -3.832 1.00 9.05 C ATOM 849 C ARG A 54 6.552 7.791 -4.002 1.00 8.96 C ATOM 850 O ARG A 54 5.736 6.997 -4.391 1.00 11.60 O ATOM 851 CB ARG A 54 6.509 9.599 -2.413 1.00 7.97 C ATOM 852 CG ARG A 54 6.222 11.096 -2.042 1.00 9.62 C ATOM 853 CD ARG A 54 6.793 11.398 -0.600 1.00 12.20 C ATOM 854 NE ARG A 54 6.354 12.797 -0.317 1.00 18.23 N ATOM 855 CZ ARG A 54 7.231 13.830 -0.379 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.402 13.728 -0.943 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.794 14.956 0.134 1.00 23.38 N ATOM 0 H ARG A 54 4.150 9.490 -3.629 1.00 8.53 H new ATOM 0 HA ARG A 54 6.909 9.847 -4.452 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.898 8.960 -1.775 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.551 9.377 -2.182 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.684 11.759 -2.774 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.150 11.290 -2.068 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.399 10.700 0.139 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.879 11.309 -0.575 1.00 12.20 H new ATOM 0 HE ARG A 54 5.380 12.979 -0.073 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.691 12.844 -1.361 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.029 14.532 -0.966 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.859 15.003 0.538 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.390 15.784 0.129 1.00 23.38 H new ATOM 871 N THR A 55 7.816 7.307 -3.756 1.00 9.05 N ATOM 872 CA THR A 55 8.294 5.939 -4.021 1.00 9.03 C ATOM 873 C THR A 55 8.642 5.302 -2.682 1.00 8.15 C ATOM 874 O THR A 55 8.811 5.910 -1.634 1.00 5.91 O ATOM 875 CB THR A 55 9.514 5.880 -4.998 1.00 11.15 C ATOM 876 OG1 THR A 55 10.663 6.586 -4.483 1.00 11.95 O ATOM 877 CG2 THR A 55 9.134 6.578 -6.314 1.00 11.71 C ATOM 0 H THR A 55 8.543 7.897 -3.352 1.00 9.05 H new ATOM 0 HA THR A 55 7.499 5.390 -4.526 1.00 9.03 H new ATOM 0 HB THR A 55 9.762 4.827 -5.133 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.389 7.154 -3.733 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.979 6.542 -7.002 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.280 6.070 -6.762 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.874 7.617 -6.113 1.00 11.71 H new ATOM 885 N LEU A 56 8.730 3.947 -2.747 1.00 6.91 N ATOM 886 CA LEU A 56 9.087 3.137 -1.595 1.00 8.29 C ATOM 887 C LEU A 56 10.405 3.445 -0.972 1.00 8.05 C ATOM 888 O LEU A 56 10.593 3.301 0.231 1.00 10.17 O ATOM 889 CB LEU A 56 9.027 1.704 -2.046 1.00 6.60 C ATOM 890 CG LEU A 56 7.606 1.050 -2.075 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.712 1.526 -3.194 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.888 -0.447 -2.153 1.00 8.64 C ATOM 0 H LEU A 56 8.554 3.410 -3.596 1.00 6.91 H new ATOM 0 HA LEU A 56 8.379 3.360 -0.797 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.454 1.641 -3.047 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.664 1.111 -1.390 1.00 6.60 H new ATOM 0 HG LEU A 56 7.034 1.333 -1.191 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.750 1.018 -3.132 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.560 2.602 -3.106 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.179 1.303 -4.153 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.946 -0.994 -2.178 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.457 -0.663 -3.057 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.463 -0.755 -1.280 1.00 8.64 H new ATOM 904 N SER A 57 11.414 3.798 -1.743 1.00 8.92 N ATOM 905 CA SER A 57 12.727 4.270 -1.219 1.00 9.00 C ATOM 906 C SER A 57 12.682 5.484 -0.333 1.00 9.44 C ATOM 907 O SER A 57 13.405 5.567 0.643 1.00 10.91 O ATOM 908 CB SER A 57 13.584 4.650 -2.427 1.00 10.32 C ATOM 909 OG SER A 57 13.143 5.780 -3.179 1.00 13.59 O ATOM 0 H SER A 57 11.368 3.773 -2.762 1.00 8.92 H new ATOM 0 HA SER A 57 13.114 3.454 -0.609 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.599 4.844 -2.080 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.634 3.791 -3.096 1.00 10.32 H new ATOM 0 HG SER A 57 12.204 5.659 -3.431 1.00 13.59 H new ATOM 915 N ASP A 58 11.763 6.476 -0.629 1.00 9.11 N ATOM 916 CA ASP A 58 11.470 7.754 0.065 1.00 7.91 C ATOM 917 C ASP A 58 11.034 7.540 1.495 1.00 9.12 C ATOM 918 O ASP A 58 11.378 8.251 2.414 1.00 8.61 O ATOM 919 CB ASP A 58 10.313 8.567 -0.655 1.00 8.41 C ATOM 920 CG ASP A 58 10.743 9.178 -1.919 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.498 10.125 -1.888 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.327 8.673 -3.002 1.00 11.70 O ATOM 0 H ASP A 58 11.159 6.371 -1.444 1.00 9.11 H new ATOM 0 HA ASP A 58 12.405 8.313 0.036 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.473 7.900 -0.848 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.953 9.347 0.016 1.00 8.41 H new ATOM 927 N TYR A 59 10.197 6.481 1.663 1.00 7.97 N ATOM 928 CA TYR A 59 9.612 6.111 2.937 1.00 8.45 C ATOM 929 C TYR A 59 10.308 5.075 3.665 1.00 10.98 C ATOM 930 O TYR A 59 10.159 4.776 4.848 1.00 12.95 O ATOM 931 CB TYR A 59 8.169 5.555 2.706 1.00 7.94 C ATOM 932 CG TYR A 59 7.199 6.680 2.560 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.104 7.615 3.592 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.576 7.015 1.280 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.374 8.814 3.400 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.840 8.178 1.179 1.00 6.52 C ATOM 937 CZ TYR A 59 5.679 9.057 2.243 1.00 6.76 C ATOM 938 OH TYR A 59 4.950 10.284 2.170 1.00 7.63 O ATOM 0 H TYR A 59 9.920 5.868 0.897 1.00 7.97 H new ATOM 0 HA TYR A 59 9.654 7.029 3.524 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.151 4.931 1.812 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.878 4.921 3.543 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.588 7.424 4.539 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.690 6.362 0.427 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.365 9.556 4.185 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.371 8.414 0.236 1.00 6.52 H new ATOM 0 HH TYR A 59 5.400 10.965 2.712 1.00 7.63 H new ATOM 948 N ASN A 60 11.355 4.511 2.989 1.00 12.38 N ATOM 949 CA ASN A 60 12.203 3.384 3.414 1.00 13.94 C ATOM 950 C ASN A 60 11.457 2.105 3.579 1.00 14.16 C ATOM 951 O ASN A 60 11.672 1.346 4.518 1.00 14.26 O ATOM 952 CB ASN A 60 12.967 3.647 4.741 1.00 19.23 C ATOM 953 CG ASN A 60 13.813 4.882 4.568 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.655 5.859 5.301 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.830 4.791 3.742 1.00 24.09 N ATOM 0 H ASN A 60 11.636 4.865 2.075 1.00 12.38 H new ATOM 0 HA ASN A 60 12.913 3.292 2.592 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.264 3.781 5.563 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.593 2.791 4.994 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.517 5.543 3.695 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.932 3.968 3.148 1.00 24.09 H new ATOM 962 N ILE A 61 10.530 1.782 2.607 1.00 11.08 N ATOM 963 CA ILE A 61 9.793 0.505 2.554 1.00 11.78 C ATOM 964 C ILE A 61 10.805 -0.475 1.996 1.00 13.74 C ATOM 965 O ILE A 61 11.102 -0.464 0.804 1.00 14.60 O ATOM 966 CB ILE A 61 8.496 0.610 1.804 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.548 1.649 2.524 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.838 -0.814 1.824 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.321 2.145 1.652 1.00 11.42 C ATOM 0 H ILE A 61 10.288 2.417 1.846 1.00 11.08 H new ATOM 0 HA ILE A 61 9.437 0.167 3.527 1.00 11.78 H new ATOM 0 HB ILE A 61 8.661 0.948 0.781 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.166 1.197 3.439 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.140 2.516 2.819 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.889 -0.784 1.288 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.504 -1.530 1.342 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.662 -1.119 2.856 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.728 2.855 2.229 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.689 2.630 0.748 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.701 1.292 1.378 1.00 11.42 H new ATOM 981 N GLN A 62 11.273 -1.451 2.832 1.00 13.97 N ATOM 982 CA GLN A 62 12.284 -2.452 2.487 1.00 15.52 C ATOM 983 C GLN A 62 11.702 -3.878 2.393 1.00 13.94 C ATOM 984 O GLN A 62 10.501 -3.996 2.667 1.00 12.15 O ATOM 985 CB GLN A 62 13.340 -2.351 3.588 1.00 19.53 C ATOM 986 CG GLN A 62 14.059 -1.071 3.643 1.00 26.38 C ATOM 987 CD GLN A 62 15.286 -1.181 4.516 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.316 -0.659 4.083 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.241 -1.819 5.691 1.00 32.71 N ATOM 0 H GLN A 62 10.935 -1.550 3.789 1.00 13.97 H new ATOM 0 HA GLN A 62 12.701 -2.259 1.498 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.857 -2.521 4.550 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.066 -3.152 3.449 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.349 -0.769 2.637 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.399 -0.295 4.031 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.367 -2.237 6.011 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.080 -1.888 6.267 1.00 32.71 H new ATOM 998 N LYS A 63 12.489 -4.863 1.946 1.00 11.73 N ATOM 999 CA LYS A 63 12.108 -6.255 1.816 1.00 11.97 C ATOM 1000 C LYS A 63 11.562 -6.861 3.042 1.00 10.41 C ATOM 1001 O LYS A 63 12.033 -6.653 4.170 1.00 9.59 O ATOM 1002 CB LYS A 63 13.352 -6.988 1.290 1.00 13.73 C ATOM 1003 CG LYS A 63 14.579 -7.076 2.252 1.00 16.98 C ATOM 1004 CD LYS A 63 15.692 -7.701 1.470 1.00 20.19 C ATOM 1005 CE LYS A 63 16.983 -8.077 2.300 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.635 -6.941 2.857 1.00 25.97 N ATOM 0 H LYS A 63 13.451 -4.693 1.654 1.00 11.73 H new ATOM 0 HA LYS A 63 11.270 -6.341 1.124 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.059 -8.003 1.020 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.674 -6.494 0.373 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.864 -6.086 2.608 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.340 -7.674 3.131 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.313 -8.605 0.992 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.981 -7.016 0.673 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.706 -8.760 3.103 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.681 -8.610 1.654 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.474 -7.249 3.390 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.927 -6.299 2.093 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.982 -6.445 3.496 1.00 25.97 H new ATOM 1020 N GLU A 64 10.436 -7.552 2.885 1.00 10.04 N ATOM 1021 CA GLU A 64 9.590 -8.145 3.907 1.00 10.94 C ATOM 1022 C GLU A 64 8.982 -7.128 4.870 1.00 9.74 C ATOM 1023 O GLU A 64 8.302 -7.594 5.805 1.00 9.42 O ATOM 1024 CB GLU A 64 10.345 -9.299 4.618 1.00 18.31 C ATOM 1025 CG GLU A 64 10.627 -10.512 3.710 1.00 24.16 C ATOM 1026 CD GLU A 64 11.087 -11.637 4.473 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.287 -12.156 5.297 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.255 -12.087 4.380 1.00 31.72 O ATOM 0 H GLU A 64 10.062 -7.725 1.952 1.00 10.04 H new ATOM 0 HA GLU A 64 8.721 -8.573 3.407 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.291 -8.918 5.004 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.760 -9.628 5.477 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.720 -10.783 3.169 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.376 -10.245 2.964 1.00 24.16 H new ATOM 1035 N SER A 65 9.064 -5.817 4.683 1.00 6.85 N ATOM 1036 CA SER A 65 8.302 -4.895 5.392 1.00 6.90 C ATOM 1037 C SER A 65 6.792 -5.036 5.234 1.00 4.72 C ATOM 1038 O SER A 65 6.324 -5.463 4.165 1.00 3.91 O ATOM 1039 CB SER A 65 8.710 -3.403 4.984 1.00 7.28 C ATOM 1040 OG SER A 65 8.133 -2.423 5.900 1.00 10.56 O ATOM 0 H SER A 65 9.694 -5.390 4.004 1.00 6.85 H new ATOM 0 HA SER A 65 8.527 -5.108 6.437 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.796 -3.308 4.984 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.372 -3.197 3.968 1.00 7.28 H new ATOM 0 HG SER A 65 8.401 -1.521 5.626 1.00 10.56 H new ATOM 1046 N THR A 66 6.009 -4.642 6.317 1.00 4.48 N ATOM 1047 CA THR A 66 4.624 -4.827 6.477 1.00 3.80 C ATOM 1048 C THR A 66 3.955 -3.497 6.370 1.00 4.60 C ATOM 1049 O THR A 66 4.172 -2.530 7.142 1.00 5.33 O ATOM 1050 CB THR A 66 4.176 -5.458 7.766 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.820 -6.737 8.011 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.675 -5.728 7.691 1.00 3.40 C ATOM 0 H THR A 66 6.421 -4.161 7.117 1.00 4.48 H new ATOM 0 HA THR A 66 4.345 -5.531 5.693 1.00 3.80 H new ATOM 0 HB THR A 66 4.438 -4.766 8.567 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.499 -7.108 8.860 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.341 -6.186 8.622 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.144 -4.789 7.537 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.468 -6.402 6.860 1.00 3.40 H new ATOM 1060 N LEU A 67 2.946 -3.380 5.450 1.00 4.17 N ATOM 1061 CA LEU A 67 2.009 -2.303 5.326 1.00 3.85 C ATOM 1062 C LEU A 67 0.705 -2.684 6.011 1.00 3.80 C ATOM 1063 O LEU A 67 0.186 -3.852 6.052 1.00 5.54 O ATOM 1064 CB LEU A 67 1.621 -2.054 3.877 1.00 7.18 C ATOM 1065 CG LEU A 67 2.694 -1.466 2.911 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.155 -1.288 1.481 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.347 -0.122 3.386 1.00 11.66 C ATOM 0 H LEU A 67 2.788 -4.102 4.747 1.00 4.17 H new ATOM 0 HA LEU A 67 2.488 -1.426 5.761 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.280 -3.001 3.458 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.766 -1.378 3.874 1.00 7.18 H new ATOM 0 HG LEU A 67 3.481 -2.220 2.920 1.00 9.67 H new ATOM 0 HD11 LEU A 67 2.939 -0.876 0.845 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.840 -2.255 1.088 1.00 8.12 H new ATOM 0 HD13 LEU A 67 1.304 -0.607 1.495 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.079 0.207 2.649 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.575 0.639 3.495 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.842 -0.277 4.345 1.00 11.66 H new ATOM 1079 N HIS A 68 0.031 -1.659 6.439 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.336 -1.788 6.794 1.00 4.17 C ATOM 1081 C HIS A 68 -2.257 -1.191 5.780 1.00 5.32 C ATOM 1082 O HIS A 68 -2.111 -0.016 5.365 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.602 -1.142 8.196 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.317 -2.027 9.335 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.149 -2.971 9.910 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.156 -2.095 9.994 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.479 -3.569 10.860 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.255 -3.051 11.012 1.00 16.30 N ATOM 0 H HIS A 68 0.416 -0.721 6.549 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.546 -2.857 6.834 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.994 -0.242 8.289 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.645 -0.829 8.247 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.721 -1.505 9.775 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.868 -4.385 11.452 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.446 -3.297 11.711 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.238 -1.982 5.275 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.314 -1.509 4.405 1.00 3.97 C ATOM 1098 C LEU A 69 -5.387 -0.771 5.217 1.00 5.07 C ATOM 1099 O LEU A 69 -5.888 -1.221 6.247 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.015 -2.635 3.483 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.033 -2.365 1.946 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.276 -3.754 1.351 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.132 -1.319 1.526 1.00 9.96 C ATOM 0 H LEU A 69 -3.293 -2.981 5.472 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.816 -0.832 3.711 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.506 -3.583 3.657 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -6.044 -2.759 3.820 1.00 6.08 H new ATOM 0 HG LEU A 69 -4.110 -1.911 1.586 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.308 -3.684 0.264 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.469 -4.423 1.648 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -6.225 -4.146 1.717 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.099 -1.170 0.447 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.116 -1.691 1.811 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.943 -0.371 2.029 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.730 0.421 4.774 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.902 1.166 5.315 1.00 6.26 C ATOM 1117 C VAL A 70 -7.797 1.441 4.086 1.00 9.22 C ATOM 1118 O VAL A 70 -7.478 2.228 3.167 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.619 2.503 6.023 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.862 3.144 6.611 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.565 2.068 7.148 1.00 8.54 C ATOM 0 H VAL A 70 -5.226 0.916 4.038 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.342 0.551 6.100 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.248 3.273 5.347 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.593 4.083 7.095 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.582 3.339 5.816 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.306 2.471 7.345 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.276 2.941 7.733 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.019 1.325 7.804 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.682 1.641 6.673 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.029 0.793 4.112 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.172 1.092 3.335 1.00 16.06 C ATOM 1133 C LEU A 71 -10.758 2.447 3.640 1.00 18.09 C ATOM 1134 O LEU A 71 -11.464 2.659 4.592 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.248 0.014 3.562 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.820 -1.343 3.257 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.804 -2.361 3.773 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.544 -1.562 1.810 1.00 19.57 C ATOM 0 H LEU A 71 -9.195 0.005 4.739 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.849 1.107 2.294 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.570 0.054 4.603 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.118 0.253 2.950 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.873 -1.480 3.779 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.453 -3.363 3.528 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.895 -2.263 4.855 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.777 -2.194 3.310 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.229 -2.594 1.652 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.448 -1.366 1.233 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.752 -0.887 1.484 1.00 19.57 H new