USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 487 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 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 48 ASN : amide:sc= -0.31 K(o=-0.31,f=-4!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -123:sc= 0.622 (180deg=0) USER MOD Set 2.2: A 26 HIS : no HD1:sc= -3.45! C(o=-2.8!,f=-5.4!) USER MOD Single : A 1 GLY N :NH3+ -164:sc= 1.32 (180deg=1.23) USER MOD Single : A 5 SER OG : rot 1:sc= 0.412 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -120:sc= -0.783 (180deg=-1.69) USER MOD Single : A 21 GLN : amide:sc= -0.922 K(o=-0.92,f=0) USER MOD Single : A 22 THR OG1 : rot 111:sc= 1.97 USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= 0.0258 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -164:sc= -0.0593 (180deg=-0.335) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc=-0.00966 K(o=-0.0097,f=-1.1) USER MOD Single : A 55 GLN : amide:sc= -1.66! C(o=-1.7!,f=-6.7!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc=-0.00154 (180deg=-0.0818) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.112 -20.292 -11.493 1.00 0.00 N ATOM 2 CA GLY A 1 13.009 -20.693 -10.089 1.00 0.00 C ATOM 3 C GLY A 1 11.918 -19.924 -9.395 1.00 0.00 C ATOM 4 O GLY A 1 11.742 -18.738 -9.662 1.00 0.00 O ATOM 0 H1 GLY A 1 13.664 -21.001 -12.017 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.160 -20.221 -11.905 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.586 -19.369 -11.556 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.805 -21.762 -10.025 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.960 -20.520 -9.585 1.00 0.00 H new ATOM 10 N PRO A 2 11.155 -20.572 -8.511 1.00 0.00 N ATOM 11 CA PRO A 2 10.018 -19.943 -7.824 1.00 0.00 C ATOM 12 C PRO A 2 10.409 -18.757 -6.934 1.00 0.00 C ATOM 13 O PRO A 2 9.614 -17.825 -6.750 1.00 0.00 O ATOM 14 CB PRO A 2 9.444 -21.086 -6.972 1.00 0.00 C ATOM 15 CG PRO A 2 10.576 -22.035 -6.812 1.00 0.00 C ATOM 16 CD PRO A 2 11.323 -21.979 -8.105 1.00 0.00 C ATOM 0 HA PRO A 2 9.316 -19.516 -8.540 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.091 -20.723 -6.007 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.595 -21.560 -7.464 1.00 0.00 H new ATOM 0 HG2 PRO A 2 11.214 -21.749 -5.976 1.00 0.00 H new ATOM 0 HG3 PRO A 2 10.218 -23.044 -6.608 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.373 -22.242 -7.978 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.909 -22.666 -8.843 1.00 0.00 H new ATOM 24 N LEU A 3 11.618 -18.772 -6.389 1.00 0.00 N ATOM 25 CA LEU A 3 11.999 -17.732 -5.460 1.00 0.00 C ATOM 26 C LEU A 3 13.242 -16.968 -5.891 1.00 0.00 C ATOM 27 O LEU A 3 14.344 -17.520 -5.920 1.00 0.00 O ATOM 28 CB LEU A 3 12.187 -18.306 -4.054 1.00 0.00 C ATOM 29 CG LEU A 3 12.681 -17.317 -2.994 1.00 0.00 C ATOM 30 CD1 LEU A 3 11.687 -16.187 -2.795 1.00 0.00 C ATOM 31 CD2 LEU A 3 12.940 -18.027 -1.688 1.00 0.00 C ATOM 0 H LEU A 3 12.332 -19.477 -6.572 1.00 0.00 H new ATOM 0 HA LEU A 3 11.179 -17.014 -5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.236 -18.722 -3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.895 -19.133 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 3 13.617 -16.885 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.064 -15.500 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.552 -15.652 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.731 -16.597 -2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.290 -17.309 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.018 -18.491 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.699 -18.795 -1.836 1.00 0.00 H new ATOM 43 N GLY A 4 13.044 -15.693 -6.221 1.00 0.00 N ATOM 44 CA GLY A 4 14.143 -14.762 -6.443 1.00 0.00 C ATOM 45 C GLY A 4 15.055 -15.130 -7.592 1.00 0.00 C ATOM 46 O GLY A 4 16.216 -14.720 -7.620 1.00 0.00 O ATOM 0 H GLY A 4 12.119 -15.280 -6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.730 -13.770 -6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.737 -14.697 -5.531 1.00 0.00 H new ATOM 50 N SER A 5 14.551 -15.897 -8.527 1.00 0.00 N ATOM 51 CA SER A 5 15.335 -16.312 -9.668 1.00 0.00 C ATOM 52 C SER A 5 14.441 -16.624 -10.845 1.00 0.00 C ATOM 53 O SER A 5 14.040 -17.768 -11.054 1.00 0.00 O ATOM 54 CB SER A 5 16.205 -17.530 -9.330 1.00 0.00 C ATOM 55 OG SER A 5 17.169 -17.220 -8.332 1.00 0.00 O ATOM 0 H SER A 5 13.594 -16.250 -8.521 1.00 0.00 H new ATOM 0 HA SER A 5 15.993 -15.485 -9.935 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.571 -18.347 -8.984 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.711 -17.878 -10.230 1.00 0.00 H new ATOM 0 HG SER A 5 17.069 -16.284 -8.060 1.00 0.00 H new ATOM 61 N LYS A 6 14.113 -15.618 -11.603 1.00 0.00 N ATOM 62 CA LYS A 6 13.285 -15.810 -12.755 1.00 0.00 C ATOM 63 C LYS A 6 14.101 -15.829 -14.038 1.00 0.00 C ATOM 64 O LYS A 6 14.061 -14.919 -14.861 1.00 0.00 O ATOM 65 CB LYS A 6 12.085 -14.853 -12.775 1.00 0.00 C ATOM 66 CG LYS A 6 12.429 -13.374 -12.758 1.00 0.00 C ATOM 67 CD LYS A 6 11.173 -12.516 -12.704 1.00 0.00 C ATOM 68 CE LYS A 6 10.440 -12.708 -11.377 1.00 0.00 C ATOM 69 NZ LYS A 6 9.271 -11.815 -11.243 1.00 0.00 N ATOM 0 H LYS A 6 14.408 -14.655 -11.442 1.00 0.00 H new ATOM 0 HA LYS A 6 12.841 -16.803 -12.686 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.492 -15.060 -13.666 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.454 -15.071 -11.914 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.059 -13.155 -11.896 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.006 -13.122 -13.648 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.439 -11.466 -12.829 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.512 -12.778 -13.530 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.113 -13.744 -11.293 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.130 -12.524 -10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.371 -11.238 -10.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.214 -11.191 -12.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.404 -12.386 -11.178 1.00 0.00 H new ATOM 83 N TYR A 7 14.877 -16.893 -14.162 1.00 0.00 N ATOM 84 CA TYR A 7 15.661 -17.176 -15.348 1.00 0.00 C ATOM 85 C TYR A 7 14.934 -18.257 -16.123 1.00 0.00 C ATOM 86 O TYR A 7 15.472 -18.887 -17.039 1.00 0.00 O ATOM 87 CB TYR A 7 17.070 -17.639 -14.959 1.00 0.00 C ATOM 88 CG TYR A 7 17.871 -16.603 -14.206 1.00 0.00 C ATOM 89 CD1 TYR A 7 18.641 -15.672 -14.883 1.00 0.00 C ATOM 90 CD2 TYR A 7 17.858 -16.557 -12.817 1.00 0.00 C ATOM 91 CE1 TYR A 7 19.374 -14.723 -14.200 1.00 0.00 C ATOM 92 CE2 TYR A 7 18.587 -15.611 -12.125 1.00 0.00 C ATOM 93 CZ TYR A 7 19.347 -14.698 -12.824 1.00 0.00 C ATOM 94 OH TYR A 7 20.074 -13.751 -12.144 1.00 0.00 O ATOM 0 H TYR A 7 14.980 -17.594 -13.428 1.00 0.00 H new ATOM 0 HA TYR A 7 15.772 -16.281 -15.960 1.00 0.00 H new ATOM 0 HB2 TYR A 7 16.990 -18.537 -14.347 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.613 -17.917 -15.863 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.668 -15.689 -15.963 1.00 0.00 H new ATOM 0 HD2 TYR A 7 17.266 -17.275 -12.269 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.967 -14.002 -14.743 1.00 0.00 H new ATOM 0 HE2 TYR A 7 18.562 -15.586 -11.046 1.00 0.00 H new ATOM 0 HH TYR A 7 19.945 -13.870 -11.180 1.00 0.00 H new ATOM 104 N GLU A 8 13.710 -18.471 -15.700 1.00 0.00 N ATOM 105 CA GLU A 8 12.781 -19.369 -16.312 1.00 0.00 C ATOM 106 C GLU A 8 11.605 -18.534 -16.789 1.00 0.00 C ATOM 107 O GLU A 8 10.996 -17.830 -15.982 1.00 0.00 O ATOM 108 CB GLU A 8 12.306 -20.369 -15.250 1.00 0.00 C ATOM 109 CG GLU A 8 11.371 -21.453 -15.751 1.00 0.00 C ATOM 110 CD GLU A 8 10.937 -22.382 -14.637 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.978 -22.061 -13.914 1.00 0.00 O ATOM 112 OE2 GLU A 8 11.567 -23.437 -14.457 1.00 0.00 O ATOM 0 H GLU A 8 13.325 -17.998 -14.882 1.00 0.00 H new ATOM 0 HA GLU A 8 13.229 -19.912 -17.144 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.181 -20.844 -14.805 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.804 -19.818 -14.455 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.492 -20.994 -16.204 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.868 -22.029 -16.532 1.00 0.00 H new ATOM 119 N CYS A 9 11.309 -18.585 -18.078 1.00 0.00 N ATOM 120 CA CYS A 9 10.195 -17.843 -18.648 1.00 0.00 C ATOM 121 C CYS A 9 8.890 -18.319 -18.023 1.00 0.00 C ATOM 122 O CYS A 9 8.479 -19.456 -18.241 1.00 0.00 O ATOM 123 CB CYS A 9 10.172 -18.060 -20.163 1.00 0.00 C ATOM 124 SG CYS A 9 8.781 -17.290 -21.071 1.00 0.00 S ATOM 0 H CYS A 9 11.831 -19.139 -18.756 1.00 0.00 H new ATOM 0 HA CYS A 9 10.312 -16.779 -18.441 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.105 -17.678 -20.578 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.154 -19.133 -20.355 1.00 0.00 H new ATOM 129 N PRO A 10 8.218 -17.456 -17.232 1.00 0.00 N ATOM 130 CA PRO A 10 7.016 -17.844 -16.479 1.00 0.00 C ATOM 131 C PRO A 10 5.869 -18.280 -17.382 1.00 0.00 C ATOM 132 O PRO A 10 4.961 -18.980 -16.947 1.00 0.00 O ATOM 133 CB PRO A 10 6.622 -16.554 -15.748 1.00 0.00 C ATOM 134 CG PRO A 10 7.864 -15.735 -15.718 1.00 0.00 C ATOM 135 CD PRO A 10 8.589 -16.052 -16.989 1.00 0.00 C ATOM 0 HA PRO A 10 7.216 -18.694 -15.827 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.819 -16.034 -16.270 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.264 -16.765 -14.740 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.631 -14.672 -15.655 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.473 -15.980 -14.848 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.275 -15.403 -17.807 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.667 -15.931 -16.881 1.00 0.00 H new ATOM 143 N ILE A 11 5.914 -17.860 -18.631 1.00 0.00 N ATOM 144 CA ILE A 11 4.891 -18.213 -19.590 1.00 0.00 C ATOM 145 C ILE A 11 4.895 -19.719 -19.900 1.00 0.00 C ATOM 146 O ILE A 11 3.847 -20.361 -19.944 1.00 0.00 O ATOM 147 CB ILE A 11 5.000 -17.363 -20.877 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.684 -15.902 -20.531 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.043 -17.875 -21.957 1.00 0.00 C ATOM 150 CD1 ILE A 11 4.947 -14.923 -21.650 1.00 0.00 C ATOM 0 H ILE A 11 6.656 -17.269 -19.006 1.00 0.00 H new ATOM 0 HA ILE A 11 3.928 -17.984 -19.133 1.00 0.00 H new ATOM 0 HB ILE A 11 6.013 -17.439 -21.273 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.636 -15.829 -20.240 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.276 -15.611 -19.664 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.140 -17.259 -22.851 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.288 -18.909 -22.200 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.018 -17.822 -21.590 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.696 -13.915 -21.318 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.000 -14.962 -21.928 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.334 -15.184 -22.513 1.00 0.00 H new ATOM 162 N CYS A 12 6.083 -20.281 -20.098 1.00 0.00 N ATOM 163 CA CYS A 12 6.202 -21.688 -20.449 1.00 0.00 C ATOM 164 C CYS A 12 6.707 -22.537 -19.278 1.00 0.00 C ATOM 165 O CYS A 12 6.515 -23.763 -19.255 1.00 0.00 O ATOM 166 CB CYS A 12 7.106 -21.845 -21.677 1.00 0.00 C ATOM 167 SG CYS A 12 8.655 -20.878 -21.611 1.00 0.00 S ATOM 0 H CYS A 12 6.971 -19.785 -20.022 1.00 0.00 H new ATOM 0 HA CYS A 12 5.206 -22.057 -20.692 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.356 -22.899 -21.795 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.546 -21.549 -22.564 1.00 0.00 H new ATOM 172 N LEU A 13 7.327 -21.869 -18.302 1.00 0.00 N ATOM 173 CA LEU A 13 7.960 -22.504 -17.133 1.00 0.00 C ATOM 174 C LEU A 13 8.960 -23.584 -17.537 1.00 0.00 C ATOM 175 O LEU A 13 9.208 -24.532 -16.791 1.00 0.00 O ATOM 176 CB LEU A 13 6.915 -23.072 -16.158 1.00 0.00 C ATOM 177 CG LEU A 13 5.973 -22.061 -15.499 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.966 -22.776 -14.617 1.00 0.00 C ATOM 179 CD2 LEU A 13 6.757 -21.049 -14.677 1.00 0.00 C ATOM 0 H LEU A 13 7.407 -20.852 -18.298 1.00 0.00 H new ATOM 0 HA LEU A 13 8.512 -21.718 -16.617 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.310 -23.802 -16.695 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.441 -23.611 -15.370 1.00 0.00 H new ATOM 0 HG LEU A 13 5.440 -21.529 -16.287 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.303 -22.045 -14.155 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.379 -23.467 -15.222 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.492 -23.331 -13.840 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.067 -20.341 -14.218 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.316 -21.568 -13.898 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.450 -20.513 -15.325 1.00 0.00 H new ATOM 191 N MET A 14 9.549 -23.428 -18.707 1.00 0.00 N ATOM 192 CA MET A 14 10.588 -24.336 -19.145 1.00 0.00 C ATOM 193 C MET A 14 11.944 -23.742 -18.808 1.00 0.00 C ATOM 194 O MET A 14 12.671 -24.256 -17.960 1.00 0.00 O ATOM 195 CB MET A 14 10.499 -24.594 -20.652 1.00 0.00 C ATOM 196 CG MET A 14 9.228 -25.294 -21.100 1.00 0.00 C ATOM 197 SD MET A 14 9.244 -25.708 -22.860 1.00 0.00 S ATOM 198 CE MET A 14 9.282 -24.076 -23.611 1.00 0.00 C ATOM 0 H MET A 14 9.326 -22.684 -19.368 1.00 0.00 H new ATOM 0 HA MET A 14 10.457 -25.288 -18.630 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.577 -23.641 -21.176 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.356 -25.196 -20.955 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.095 -26.206 -20.518 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.372 -24.654 -20.889 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.402 -23.945 -24.241 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.285 -23.316 -22.830 1.00 0.00 H new ATOM 0 HE3 MET A 14 10.182 -23.976 -24.218 1.00 0.00 H new ATOM 208 N ALA A 15 12.241 -22.630 -19.459 1.00 0.00 N ATOM 209 CA ALA A 15 13.488 -21.904 -19.310 1.00 0.00 C ATOM 210 C ALA A 15 13.399 -20.668 -20.182 1.00 0.00 C ATOM 211 O ALA A 15 12.330 -20.370 -20.706 1.00 0.00 O ATOM 212 CB ALA A 15 14.666 -22.768 -19.752 1.00 0.00 C ATOM 0 H ALA A 15 11.602 -22.196 -20.125 1.00 0.00 H new ATOM 0 HA ALA A 15 13.646 -21.633 -18.266 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.593 -22.207 -19.633 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.706 -23.669 -19.140 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.541 -23.045 -20.799 1.00 0.00 H new ATOM 218 N LEU A 16 14.493 -19.950 -20.332 1.00 0.00 N ATOM 219 CA LEU A 16 14.528 -18.823 -21.246 1.00 0.00 C ATOM 220 C LEU A 16 15.141 -19.274 -22.550 1.00 0.00 C ATOM 221 O LEU A 16 16.344 -19.549 -22.606 1.00 0.00 O ATOM 222 CB LEU A 16 15.387 -17.687 -20.677 1.00 0.00 C ATOM 223 CG LEU A 16 14.941 -17.062 -19.365 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.935 -16.005 -18.920 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.561 -16.456 -19.506 1.00 0.00 C ATOM 0 H LEU A 16 15.367 -20.124 -19.836 1.00 0.00 H new ATOM 0 HA LEU A 16 13.510 -18.462 -21.394 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.400 -18.066 -20.542 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.439 -16.897 -21.426 1.00 0.00 H new ATOM 0 HG LEU A 16 14.899 -17.845 -18.608 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.603 -15.566 -17.979 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.915 -16.462 -18.781 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.003 -15.226 -19.680 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.259 -16.014 -18.557 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.579 -15.685 -20.276 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.850 -17.233 -19.787 1.00 0.00 H new ATOM 237 N ARG A 17 14.334 -19.376 -23.593 1.00 0.00 N ATOM 238 CA ARG A 17 14.867 -19.785 -24.875 1.00 0.00 C ATOM 239 C ARG A 17 15.742 -18.692 -25.470 1.00 0.00 C ATOM 240 O ARG A 17 16.837 -18.957 -25.958 1.00 0.00 O ATOM 241 CB ARG A 17 13.753 -20.186 -25.854 1.00 0.00 C ATOM 242 CG ARG A 17 14.273 -20.664 -27.209 1.00 0.00 C ATOM 243 CD ARG A 17 15.107 -21.929 -27.055 1.00 0.00 C ATOM 244 NE ARG A 17 15.687 -22.386 -28.320 1.00 0.00 N ATOM 245 CZ ARG A 17 16.669 -23.294 -28.411 1.00 0.00 C ATOM 246 NH1 ARG A 17 17.157 -23.855 -27.310 1.00 0.00 N ATOM 247 NH2 ARG A 17 17.156 -23.639 -29.598 1.00 0.00 N ATOM 0 H ARG A 17 13.332 -19.186 -23.577 1.00 0.00 H new ATOM 0 HA ARG A 17 15.485 -20.667 -24.705 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.153 -20.977 -25.405 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.092 -19.333 -26.008 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.434 -20.856 -27.878 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.875 -19.880 -27.669 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.908 -21.745 -26.339 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.484 -22.721 -26.640 1.00 0.00 H new ATOM 0 HE ARG A 17 15.321 -21.989 -29.185 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.784 -23.595 -26.397 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.904 -24.546 -27.378 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.783 -23.212 -30.446 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.903 -24.330 -29.661 1.00 0.00 H new ATOM 261 N GLU A 18 15.264 -17.460 -25.406 1.00 0.00 N ATOM 262 CA GLU A 18 15.999 -16.356 -26.003 1.00 0.00 C ATOM 263 C GLU A 18 16.537 -15.415 -24.935 1.00 0.00 C ATOM 264 O GLU A 18 17.425 -14.616 -25.197 1.00 0.00 O ATOM 265 CB GLU A 18 15.096 -15.596 -26.956 1.00 0.00 C ATOM 266 CG GLU A 18 14.532 -16.467 -28.065 1.00 0.00 C ATOM 267 CD GLU A 18 15.605 -17.066 -28.929 1.00 0.00 C ATOM 268 OE1 GLU A 18 16.325 -16.308 -29.604 1.00 0.00 O ATOM 269 OE2 GLU A 18 15.732 -18.301 -28.959 1.00 0.00 O ATOM 0 H GLU A 18 14.386 -17.201 -24.955 1.00 0.00 H new ATOM 0 HA GLU A 18 16.847 -16.765 -26.552 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.273 -15.156 -26.394 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.656 -14.772 -27.398 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.935 -17.266 -27.626 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.861 -15.872 -28.685 1.00 0.00 H new ATOM 276 N ALA A 19 15.988 -15.537 -23.728 1.00 0.00 N ATOM 277 CA ALA A 19 16.413 -14.756 -22.557 1.00 0.00 C ATOM 278 C ALA A 19 16.392 -13.236 -22.789 1.00 0.00 C ATOM 279 O ALA A 19 17.421 -12.627 -23.098 1.00 0.00 O ATOM 280 CB ALA A 19 17.783 -15.214 -22.068 1.00 0.00 C ATOM 0 H ALA A 19 15.227 -16.186 -23.528 1.00 0.00 H new ATOM 0 HA ALA A 19 15.674 -14.951 -21.780 1.00 0.00 H new ATOM 0 HB1 ALA A 19 18.077 -14.622 -21.201 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.737 -16.267 -21.790 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.516 -15.081 -22.863 1.00 0.00 H new ATOM 286 N VAL A 20 15.225 -12.629 -22.655 1.00 0.00 N ATOM 287 CA VAL A 20 15.111 -11.183 -22.767 1.00 0.00 C ATOM 288 C VAL A 20 14.563 -10.575 -21.474 1.00 0.00 C ATOM 289 O VAL A 20 13.448 -10.891 -21.042 1.00 0.00 O ATOM 290 CB VAL A 20 14.267 -10.727 -24.003 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.960 -11.121 -25.297 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.855 -11.300 -23.973 1.00 0.00 C ATOM 0 H VAL A 20 14.346 -13.112 -22.469 1.00 0.00 H new ATOM 0 HA VAL A 20 16.121 -10.807 -22.930 1.00 0.00 H new ATOM 0 HB VAL A 20 14.186 -9.641 -23.954 1.00 0.00 H new ATOM 0 HG11 VAL A 20 14.358 -10.796 -26.146 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.940 -10.646 -25.344 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.079 -12.204 -25.331 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.305 -10.958 -24.849 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.904 -12.389 -23.978 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.345 -10.964 -23.070 1.00 0.00 H new ATOM 302 N GLN A 21 15.373 -9.752 -20.832 1.00 0.00 N ATOM 303 CA GLN A 21 14.956 -9.048 -19.633 1.00 0.00 C ATOM 304 C GLN A 21 14.143 -7.810 -20.002 1.00 0.00 C ATOM 305 O GLN A 21 14.594 -6.968 -20.778 1.00 0.00 O ATOM 306 CB GLN A 21 16.170 -8.670 -18.768 1.00 0.00 C ATOM 307 CG GLN A 21 15.816 -7.911 -17.491 1.00 0.00 C ATOM 308 CD GLN A 21 17.030 -7.543 -16.647 1.00 0.00 C ATOM 309 OE1 GLN A 21 16.935 -7.429 -15.424 1.00 0.00 O ATOM 310 NE2 GLN A 21 18.170 -7.356 -17.279 1.00 0.00 N ATOM 0 H GLN A 21 16.330 -9.554 -21.124 1.00 0.00 H new ATOM 0 HA GLN A 21 14.323 -9.713 -19.045 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.708 -9.579 -18.500 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.850 -8.061 -19.363 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.278 -7.001 -17.756 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.138 -8.519 -16.892 1.00 0.00 H new ATOM 0 HE21 GLN A 21 18.214 -7.458 -18.293 1.00 0.00 H new ATOM 0 HE22 GLN A 21 19.009 -7.109 -16.755 1.00 0.00 H new ATOM 319 N THR A 22 12.959 -7.709 -19.459 1.00 0.00 N ATOM 320 CA THR A 22 12.104 -6.572 -19.692 1.00 0.00 C ATOM 321 C THR A 22 12.610 -5.381 -18.882 1.00 0.00 C ATOM 322 O THR A 22 13.311 -5.567 -17.884 1.00 0.00 O ATOM 323 CB THR A 22 10.650 -6.899 -19.276 1.00 0.00 C ATOM 324 OG1 THR A 22 10.602 -7.208 -17.873 1.00 0.00 O ATOM 325 CG2 THR A 22 10.124 -8.089 -20.062 1.00 0.00 C ATOM 0 H THR A 22 12.558 -8.414 -18.841 1.00 0.00 H new ATOM 0 HA THR A 22 12.121 -6.329 -20.754 1.00 0.00 H new ATOM 0 HB THR A 22 10.029 -6.028 -19.487 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.134 -6.491 -17.396 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.100 -8.304 -19.755 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.143 -7.859 -21.127 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.751 -8.959 -19.868 1.00 0.00 H new ATOM 333 N PRO A 23 12.273 -4.142 -19.283 1.00 0.00 N ATOM 334 CA PRO A 23 12.673 -2.938 -18.540 1.00 0.00 C ATOM 335 C PRO A 23 12.092 -2.909 -17.120 1.00 0.00 C ATOM 336 O PRO A 23 12.640 -2.254 -16.226 1.00 0.00 O ATOM 337 CB PRO A 23 12.119 -1.788 -19.390 1.00 0.00 C ATOM 338 CG PRO A 23 11.039 -2.410 -20.200 1.00 0.00 C ATOM 339 CD PRO A 23 11.510 -3.797 -20.500 1.00 0.00 C ATOM 0 HA PRO A 23 13.752 -2.885 -18.397 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.733 -0.983 -18.765 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.892 -1.356 -20.025 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.097 -2.426 -19.652 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.864 -1.848 -21.118 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.678 -4.482 -20.666 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.133 -3.830 -21.394 1.00 0.00 H new ATOM 347 N CYS A 24 10.985 -3.630 -16.918 1.00 0.00 N ATOM 348 CA CYS A 24 10.383 -3.734 -15.604 1.00 0.00 C ATOM 349 C CYS A 24 11.146 -4.724 -14.708 1.00 0.00 C ATOM 350 O CYS A 24 11.041 -4.672 -13.490 1.00 0.00 O ATOM 351 CB CYS A 24 8.885 -4.075 -15.700 1.00 0.00 C ATOM 352 SG CYS A 24 8.472 -5.495 -16.771 1.00 0.00 S ATOM 0 H CYS A 24 10.496 -4.145 -17.650 1.00 0.00 H new ATOM 0 HA CYS A 24 10.459 -2.756 -15.128 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.511 -4.278 -14.696 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.353 -3.198 -16.067 1.00 0.00 H new ATOM 357 N GLY A 25 11.912 -5.620 -15.324 1.00 0.00 N ATOM 358 CA GLY A 25 12.756 -6.512 -14.547 1.00 0.00 C ATOM 359 C GLY A 25 12.263 -7.946 -14.493 1.00 0.00 C ATOM 360 O GLY A 25 12.263 -8.567 -13.435 1.00 0.00 O ATOM 0 H GLY A 25 11.964 -5.744 -16.335 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.761 -6.501 -14.968 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.832 -6.127 -13.530 1.00 0.00 H new ATOM 364 N HIS A 26 11.830 -8.475 -15.621 1.00 0.00 N ATOM 365 CA HIS A 26 11.431 -9.880 -15.703 1.00 0.00 C ATOM 366 C HIS A 26 12.115 -10.488 -16.898 1.00 0.00 C ATOM 367 O HIS A 26 12.427 -9.779 -17.845 1.00 0.00 O ATOM 368 CB HIS A 26 9.930 -10.038 -15.910 1.00 0.00 C ATOM 369 CG HIS A 26 9.073 -9.350 -14.919 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.809 -9.832 -13.655 1.00 0.00 N ATOM 371 CD2 HIS A 26 8.395 -8.205 -15.034 1.00 0.00 C ATOM 372 CE1 HIS A 26 7.994 -8.991 -13.038 1.00 0.00 C ATOM 373 NE2 HIS A 26 7.732 -7.995 -13.868 1.00 0.00 N ATOM 0 H HIS A 26 11.743 -7.959 -16.497 1.00 0.00 H new ATOM 0 HA HIS A 26 11.708 -10.365 -14.767 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.677 -9.666 -16.903 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.689 -11.101 -15.897 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.377 -7.561 -15.901 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.611 -9.099 -12.034 1.00 0.00 H new ATOM 0 HE2 HIS A 26 7.129 -7.198 -13.665 1.00 0.00 H new ATOM 380 N ARG A 27 12.361 -11.771 -16.872 1.00 0.00 N ATOM 381 CA ARG A 27 12.979 -12.403 -18.011 1.00 0.00 C ATOM 382 C ARG A 27 12.009 -13.364 -18.679 1.00 0.00 C ATOM 383 O ARG A 27 11.346 -14.160 -18.009 1.00 0.00 O ATOM 384 CB ARG A 27 14.267 -13.098 -17.594 1.00 0.00 C ATOM 385 CG ARG A 27 15.284 -12.129 -17.023 1.00 0.00 C ATOM 386 CD ARG A 27 16.577 -12.806 -16.629 1.00 0.00 C ATOM 387 NE ARG A 27 17.495 -11.854 -15.999 1.00 0.00 N ATOM 388 CZ ARG A 27 18.822 -11.868 -16.118 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.415 -12.735 -16.923 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.552 -10.990 -15.451 1.00 0.00 N ATOM 0 H ARG A 27 12.148 -12.391 -16.091 1.00 0.00 H new ATOM 0 HA ARG A 27 13.238 -11.639 -18.744 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.041 -13.863 -16.851 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.698 -13.608 -18.456 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.494 -11.353 -17.760 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.858 -11.633 -16.151 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.368 -13.625 -15.941 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.047 -13.242 -17.511 1.00 0.00 H new ATOM 0 HE ARG A 27 17.085 -11.120 -15.422 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.856 -13.399 -17.458 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.431 -12.739 -17.008 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.099 -10.304 -14.847 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.568 -10.999 -15.540 1.00 0.00 H new ATOM 404 N PHE A 28 11.920 -13.268 -19.992 1.00 0.00 N ATOM 405 CA PHE A 28 11.025 -14.095 -20.796 1.00 0.00 C ATOM 406 C PHE A 28 11.732 -14.554 -22.060 1.00 0.00 C ATOM 407 O PHE A 28 12.822 -14.069 -22.385 1.00 0.00 O ATOM 408 CB PHE A 28 9.759 -13.323 -21.201 1.00 0.00 C ATOM 409 CG PHE A 28 8.833 -12.936 -20.081 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.837 -13.803 -19.660 1.00 0.00 C ATOM 411 CD2 PHE A 28 8.947 -11.705 -19.457 1.00 0.00 C ATOM 412 CE1 PHE A 28 6.974 -13.448 -18.642 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.081 -11.346 -18.443 1.00 0.00 C ATOM 414 CZ PHE A 28 7.096 -12.217 -18.035 1.00 0.00 C ATOM 0 H PHE A 28 12.471 -12.608 -20.541 1.00 0.00 H new ATOM 0 HA PHE A 28 10.740 -14.953 -20.187 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.063 -12.416 -21.724 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.200 -13.930 -21.914 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.735 -14.768 -20.134 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.721 -11.019 -19.767 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.204 -14.135 -18.322 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.177 -10.380 -17.969 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.420 -11.936 -17.241 1.00 0.00 H new ATOM 424 N CYS A 29 11.138 -15.508 -22.756 1.00 0.00 N ATOM 425 CA CYS A 29 11.609 -15.871 -24.073 1.00 0.00 C ATOM 426 C CYS A 29 11.103 -14.821 -25.065 1.00 0.00 C ATOM 427 O CYS A 29 10.043 -14.230 -24.853 1.00 0.00 O ATOM 428 CB CYS A 29 11.086 -17.243 -24.474 1.00 0.00 C ATOM 429 SG CYS A 29 11.399 -18.570 -23.273 1.00 0.00 S ATOM 0 H CYS A 29 10.332 -16.041 -22.429 1.00 0.00 H new ATOM 0 HA CYS A 29 12.698 -15.910 -24.073 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.011 -17.170 -24.640 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.537 -17.522 -25.426 1.00 0.00 H new ATOM 434 N LYS A 30 11.840 -14.619 -26.152 1.00 0.00 N ATOM 435 CA LYS A 30 11.575 -13.515 -27.082 1.00 0.00 C ATOM 436 C LYS A 30 10.260 -13.706 -27.847 1.00 0.00 C ATOM 437 O LYS A 30 9.752 -12.773 -28.451 1.00 0.00 O ATOM 438 CB LYS A 30 12.732 -13.344 -28.076 1.00 0.00 C ATOM 439 CG LYS A 30 12.576 -12.158 -29.015 1.00 0.00 C ATOM 440 CD LYS A 30 13.725 -12.049 -29.995 1.00 0.00 C ATOM 441 CE LYS A 30 13.539 -10.845 -30.899 1.00 0.00 C ATOM 442 NZ LYS A 30 14.632 -10.709 -31.886 1.00 0.00 N ATOM 0 H LYS A 30 12.631 -15.206 -26.416 1.00 0.00 H new ATOM 0 HA LYS A 30 11.485 -12.613 -26.477 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.662 -13.232 -27.518 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.824 -14.254 -28.670 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.640 -12.253 -29.565 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.511 -11.240 -28.431 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.666 -11.962 -29.453 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.786 -12.956 -30.596 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.587 -10.931 -31.424 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.487 -9.942 -30.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.279 -10.212 -32.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.414 -10.167 -31.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.973 -11.653 -32.159 1.00 0.00 H new ATOM 456 N ALA A 31 9.694 -14.881 -27.806 1.00 0.00 N ATOM 457 CA ALA A 31 8.466 -15.095 -28.542 1.00 0.00 C ATOM 458 C ALA A 31 7.313 -15.352 -27.602 1.00 0.00 C ATOM 459 O ALA A 31 6.167 -15.028 -27.921 1.00 0.00 O ATOM 460 CB ALA A 31 8.614 -16.221 -29.549 1.00 0.00 C ATOM 0 H ALA A 31 10.045 -15.687 -27.289 1.00 0.00 H new ATOM 0 HA ALA A 31 8.249 -14.184 -29.100 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.674 -16.356 -30.085 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.404 -15.973 -30.258 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.870 -17.144 -29.028 1.00 0.00 H new ATOM 466 N CYS A 32 7.612 -15.885 -26.423 1.00 0.00 N ATOM 467 CA CYS A 32 6.594 -16.074 -25.420 1.00 0.00 C ATOM 468 C CYS A 32 6.057 -14.719 -24.972 1.00 0.00 C ATOM 469 O CYS A 32 4.843 -14.516 -24.904 1.00 0.00 O ATOM 470 CB CYS A 32 7.167 -16.829 -24.211 1.00 0.00 C ATOM 471 SG CYS A 32 7.958 -18.427 -24.598 1.00 0.00 S ATOM 0 H CYS A 32 8.546 -16.189 -26.148 1.00 0.00 H new ATOM 0 HA CYS A 32 5.783 -16.663 -25.849 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.899 -16.190 -23.717 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.362 -17.003 -23.497 1.00 0.00 H new ATOM 476 N ILE A 33 6.966 -13.786 -24.694 1.00 0.00 N ATOM 477 CA ILE A 33 6.565 -12.472 -24.220 1.00 0.00 C ATOM 478 C ILE A 33 5.865 -11.651 -25.308 1.00 0.00 C ATOM 479 O ILE A 33 4.850 -11.016 -25.049 1.00 0.00 O ATOM 480 CB ILE A 33 7.741 -11.674 -23.583 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.231 -10.403 -22.899 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.824 -11.339 -24.602 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.269 -10.666 -21.760 1.00 0.00 C ATOM 0 H ILE A 33 7.973 -13.917 -24.789 1.00 0.00 H new ATOM 0 HA ILE A 33 5.839 -12.654 -23.427 1.00 0.00 H new ATOM 0 HB ILE A 33 8.193 -12.317 -22.828 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.083 -9.839 -22.520 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.738 -9.775 -23.641 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.624 -10.782 -24.113 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.227 -12.261 -25.021 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.397 -10.734 -25.401 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.952 -9.718 -21.325 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.398 -11.202 -22.136 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.764 -11.267 -20.997 1.00 0.00 H new ATOM 495 N ILE A 34 6.379 -11.709 -26.534 1.00 0.00 N ATOM 496 CA ILE A 34 5.811 -10.934 -27.630 1.00 0.00 C ATOM 497 C ILE A 34 4.384 -11.360 -27.943 1.00 0.00 C ATOM 498 O ILE A 34 3.497 -10.519 -28.087 1.00 0.00 O ATOM 499 CB ILE A 34 6.709 -10.907 -28.898 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.980 -10.093 -28.607 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.965 -10.342 -30.103 1.00 0.00 C ATOM 502 CD1 ILE A 34 9.002 -10.107 -29.724 1.00 0.00 C ATOM 0 H ILE A 34 7.183 -12.281 -26.791 1.00 0.00 H new ATOM 0 HA ILE A 34 5.772 -9.903 -27.280 1.00 0.00 H new ATOM 0 HB ILE A 34 6.986 -11.931 -29.147 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.697 -9.060 -28.403 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.445 -10.480 -27.701 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.626 -10.339 -30.970 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.092 -10.960 -30.314 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.645 -9.323 -29.888 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.866 -9.508 -29.434 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.319 -11.132 -29.915 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.558 -9.690 -30.628 1.00 0.00 H new ATOM 514 N LYS A 35 4.139 -12.657 -27.958 1.00 0.00 N ATOM 515 CA LYS A 35 2.814 -13.160 -28.291 1.00 0.00 C ATOM 516 C LYS A 35 1.880 -13.048 -27.093 1.00 0.00 C ATOM 517 O LYS A 35 0.702 -13.389 -27.174 1.00 0.00 O ATOM 518 CB LYS A 35 2.884 -14.605 -28.785 1.00 0.00 C ATOM 519 CG LYS A 35 3.693 -14.793 -30.065 1.00 0.00 C ATOM 520 CD LYS A 35 3.060 -14.078 -31.262 1.00 0.00 C ATOM 521 CE LYS A 35 1.745 -14.728 -31.686 1.00 0.00 C ATOM 522 NZ LYS A 35 1.915 -16.156 -32.050 1.00 0.00 N ATOM 0 H LYS A 35 4.830 -13.377 -27.746 1.00 0.00 H new ATOM 0 HA LYS A 35 2.414 -12.546 -29.098 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.319 -15.224 -28.000 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.870 -14.969 -28.953 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.704 -14.415 -29.912 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.780 -15.857 -30.284 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.883 -13.033 -31.008 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.756 -14.088 -32.100 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.023 -14.646 -30.874 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.331 -14.185 -32.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.081 -16.481 -32.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.764 -16.265 -32.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.019 -16.725 -31.185 1.00 0.00 H new ATOM 536 N SER A 36 2.400 -12.547 -25.993 1.00 0.00 N ATOM 537 CA SER A 36 1.598 -12.330 -24.820 1.00 0.00 C ATOM 538 C SER A 36 1.309 -10.833 -24.650 1.00 0.00 C ATOM 539 O SER A 36 0.333 -10.457 -23.999 1.00 0.00 O ATOM 540 CB SER A 36 2.321 -12.884 -23.579 1.00 0.00 C ATOM 541 OG SER A 36 1.499 -12.820 -22.419 1.00 0.00 O ATOM 0 H SER A 36 3.380 -12.283 -25.892 1.00 0.00 H new ATOM 0 HA SER A 36 0.650 -12.855 -24.934 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.615 -13.918 -23.760 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.237 -12.318 -23.408 1.00 0.00 H new ATOM 0 HG SER A 36 1.989 -13.181 -21.651 1.00 0.00 H new ATOM 547 N ILE A 37 2.137 -9.978 -25.254 1.00 0.00 N ATOM 548 CA ILE A 37 1.942 -8.538 -25.104 1.00 0.00 C ATOM 549 C ILE A 37 1.346 -7.876 -26.343 1.00 0.00 C ATOM 550 O ILE A 37 0.906 -6.729 -26.281 1.00 0.00 O ATOM 551 CB ILE A 37 3.230 -7.789 -24.702 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.330 -7.968 -25.757 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.696 -8.232 -23.326 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.564 -7.128 -25.512 1.00 0.00 C ATOM 0 H ILE A 37 2.929 -10.249 -25.837 1.00 0.00 H new ATOM 0 HA ILE A 37 1.223 -8.455 -24.289 1.00 0.00 H new ATOM 0 HB ILE A 37 3.005 -6.724 -24.652 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.619 -9.018 -25.790 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.923 -7.719 -26.737 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.605 -7.694 -23.059 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.919 -8.018 -22.592 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.899 -9.303 -23.338 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.293 -7.313 -26.301 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.291 -6.073 -25.510 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.999 -7.393 -24.548 1.00 0.00 H new ATOM 566 N ARG A 38 1.334 -8.573 -27.468 1.00 0.00 N ATOM 567 CA ARG A 38 0.692 -8.012 -28.652 1.00 0.00 C ATOM 568 C ARG A 38 -0.612 -8.725 -28.971 1.00 0.00 C ATOM 569 O ARG A 38 -1.308 -8.368 -29.920 1.00 0.00 O ATOM 570 CB ARG A 38 1.627 -7.986 -29.871 1.00 0.00 C ATOM 571 CG ARG A 38 2.012 -9.344 -30.423 1.00 0.00 C ATOM 572 CD ARG A 38 2.933 -9.197 -31.619 1.00 0.00 C ATOM 573 NE ARG A 38 2.264 -8.571 -32.764 1.00 0.00 N ATOM 574 CZ ARG A 38 2.809 -7.623 -33.538 1.00 0.00 C ATOM 575 NH1 ARG A 38 3.952 -7.040 -33.186 1.00 0.00 N ATOM 576 NH2 ARG A 38 2.177 -7.217 -34.632 1.00 0.00 N ATOM 0 H ARG A 38 1.746 -9.498 -27.589 1.00 0.00 H new ATOM 0 HA ARG A 38 0.456 -6.975 -28.414 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.147 -7.413 -30.664 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.537 -7.452 -29.598 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.506 -9.930 -29.648 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.115 -9.891 -30.714 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.799 -8.599 -31.336 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.305 -10.179 -31.911 1.00 0.00 H new ATOM 0 HE ARG A 38 1.317 -8.879 -32.987 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.419 -7.314 -32.322 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.361 -6.319 -33.780 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.277 -7.627 -34.883 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.591 -6.495 -35.222 1.00 0.00 H new ATOM 590 N ASP A 39 -0.941 -9.735 -28.178 1.00 0.00 N ATOM 591 CA ASP A 39 -2.172 -10.486 -28.402 1.00 0.00 C ATOM 592 C ASP A 39 -3.083 -10.464 -27.185 1.00 0.00 C ATOM 593 O ASP A 39 -4.214 -10.003 -27.271 1.00 0.00 O ATOM 594 CB ASP A 39 -1.868 -11.928 -28.806 1.00 0.00 C ATOM 595 CG ASP A 39 -3.124 -12.768 -28.952 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.842 -12.620 -29.968 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.395 -13.594 -28.065 1.00 0.00 O ATOM 0 H ASP A 39 -0.383 -10.051 -27.385 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.698 -9.994 -29.220 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.322 -11.930 -29.749 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.216 -12.381 -28.059 1.00 0.00 H new ATOM 602 N ALA A 40 -2.572 -10.927 -26.053 1.00 0.00 N ATOM 603 CA ALA A 40 -3.357 -10.987 -24.824 1.00 0.00 C ATOM 604 C ALA A 40 -3.645 -9.588 -24.303 1.00 0.00 C ATOM 605 O ALA A 40 -4.795 -9.145 -24.264 1.00 0.00 O ATOM 606 CB ALA A 40 -2.638 -11.824 -23.772 1.00 0.00 C ATOM 0 H ALA A 40 -1.615 -11.268 -25.958 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.311 -11.466 -25.046 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.237 -11.858 -22.862 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.493 -12.836 -24.149 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.669 -11.377 -23.551 1.00 0.00 H new ATOM 612 N GLY A 41 -2.598 -8.904 -23.920 1.00 0.00 N ATOM 613 CA GLY A 41 -2.710 -7.547 -23.476 1.00 0.00 C ATOM 614 C GLY A 41 -1.391 -6.863 -23.639 1.00 0.00 C ATOM 615 O GLY A 41 -0.374 -7.532 -23.712 1.00 0.00 O ATOM 0 H GLY A 41 -1.648 -9.275 -23.909 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.476 -7.026 -24.051 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.021 -7.519 -22.432 1.00 0.00 H new ATOM 619 N HIS A 42 -1.391 -5.547 -23.688 1.00 0.00 N ATOM 620 CA HIS A 42 -0.157 -4.796 -23.919 1.00 0.00 C ATOM 621 C HIS A 42 0.657 -4.679 -22.640 1.00 0.00 C ATOM 622 O HIS A 42 1.801 -4.218 -22.647 1.00 0.00 O ATOM 623 CB HIS A 42 -0.448 -3.413 -24.522 1.00 0.00 C ATOM 624 CG HIS A 42 -0.974 -3.464 -25.932 1.00 0.00 C ATOM 625 ND1 HIS A 42 -2.315 -3.461 -26.237 1.00 0.00 N ATOM 626 CD2 HIS A 42 -0.327 -3.519 -27.122 1.00 0.00 C ATOM 627 CE1 HIS A 42 -2.470 -3.516 -27.543 1.00 0.00 C ATOM 628 NE2 HIS A 42 -1.282 -3.553 -28.105 1.00 0.00 N ATOM 0 H HIS A 42 -2.224 -4.970 -23.572 1.00 0.00 H new ATOM 0 HA HIS A 42 0.438 -5.351 -24.645 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -1.173 -2.897 -23.892 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.467 -2.820 -24.506 1.00 0.00 H new ATOM 0 HD2 HIS A 42 0.743 -3.533 -27.269 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.415 -3.529 -28.066 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -1.101 -3.599 -29.108 1.00 0.00 H new ATOM 637 N LYS A 43 0.053 -5.091 -21.547 1.00 0.00 N ATOM 638 CA LYS A 43 0.711 -5.115 -20.263 1.00 0.00 C ATOM 639 C LYS A 43 1.583 -6.359 -20.115 1.00 0.00 C ATOM 640 O LYS A 43 1.299 -7.411 -20.697 1.00 0.00 O ATOM 641 CB LYS A 43 -0.326 -5.092 -19.133 1.00 0.00 C ATOM 642 CG LYS A 43 -1.205 -6.340 -19.088 1.00 0.00 C ATOM 643 CD LYS A 43 -2.147 -6.348 -17.894 1.00 0.00 C ATOM 644 CE LYS A 43 -3.178 -5.240 -17.968 1.00 0.00 C ATOM 645 NZ LYS A 43 -4.121 -5.301 -16.833 1.00 0.00 N ATOM 0 H LYS A 43 -0.912 -5.420 -21.526 1.00 0.00 H new ATOM 0 HA LYS A 43 1.344 -4.230 -20.200 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.190 -4.986 -18.179 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.961 -4.214 -19.251 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.788 -6.403 -20.007 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.571 -7.226 -19.052 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.655 -7.311 -17.841 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.568 -6.242 -16.977 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.675 -4.273 -17.973 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.729 -5.317 -18.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.813 -4.529 -16.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.618 -6.214 -16.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.597 -5.203 -15.940 1.00 0.00 H new ATOM 659 N CYS A 44 2.646 -6.210 -19.360 1.00 0.00 N ATOM 660 CA CYS A 44 3.454 -7.308 -18.912 1.00 0.00 C ATOM 661 C CYS A 44 2.542 -8.238 -18.117 1.00 0.00 C ATOM 662 O CYS A 44 1.878 -7.800 -17.167 1.00 0.00 O ATOM 663 CB CYS A 44 4.588 -6.744 -18.027 1.00 0.00 C ATOM 664 SG CYS A 44 5.766 -7.951 -17.315 1.00 0.00 S ATOM 0 H CYS A 44 2.976 -5.301 -19.036 1.00 0.00 H new ATOM 0 HA CYS A 44 3.905 -7.858 -19.738 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.155 -6.027 -18.620 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.133 -6.190 -17.206 1.00 0.00 H new ATOM 669 N PRO A 45 2.501 -9.524 -18.482 1.00 0.00 N ATOM 670 CA PRO A 45 1.489 -10.468 -17.981 1.00 0.00 C ATOM 671 C PRO A 45 1.540 -10.670 -16.465 1.00 0.00 C ATOM 672 O PRO A 45 0.552 -11.075 -15.844 1.00 0.00 O ATOM 673 CB PRO A 45 1.832 -11.776 -18.715 1.00 0.00 C ATOM 674 CG PRO A 45 3.258 -11.631 -19.107 1.00 0.00 C ATOM 675 CD PRO A 45 3.442 -10.174 -19.411 1.00 0.00 C ATOM 0 HA PRO A 45 0.479 -10.103 -18.166 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.686 -12.642 -18.069 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.195 -11.918 -19.588 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.921 -11.951 -18.303 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.491 -12.246 -19.976 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.469 -9.851 -19.238 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.207 -9.945 -20.450 1.00 0.00 H new ATOM 683 N VAL A 46 2.679 -10.379 -15.876 1.00 0.00 N ATOM 684 CA VAL A 46 2.876 -10.644 -14.472 1.00 0.00 C ATOM 685 C VAL A 46 2.655 -9.417 -13.559 1.00 0.00 C ATOM 686 O VAL A 46 1.945 -9.517 -12.556 1.00 0.00 O ATOM 687 CB VAL A 46 4.243 -11.312 -14.200 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.279 -12.696 -14.827 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.375 -10.474 -14.758 1.00 0.00 C ATOM 0 H VAL A 46 3.480 -9.960 -16.348 1.00 0.00 H new ATOM 0 HA VAL A 46 2.091 -11.352 -14.204 1.00 0.00 H new ATOM 0 HB VAL A 46 4.371 -11.396 -13.121 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.246 -13.159 -14.630 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.488 -13.311 -14.398 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.129 -12.612 -15.903 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.326 -10.965 -14.554 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.248 -10.362 -15.835 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.366 -9.491 -14.287 1.00 0.00 H new ATOM 699 N ASP A 47 3.243 -8.269 -13.893 1.00 0.00 N ATOM 700 CA ASP A 47 3.160 -7.093 -13.001 1.00 0.00 C ATOM 701 C ASP A 47 2.268 -5.988 -13.551 1.00 0.00 C ATOM 702 O ASP A 47 2.175 -4.916 -12.964 1.00 0.00 O ATOM 703 CB ASP A 47 4.554 -6.528 -12.688 1.00 0.00 C ATOM 704 CG ASP A 47 5.297 -6.044 -13.917 1.00 0.00 C ATOM 705 OD1 ASP A 47 4.814 -6.221 -15.036 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.407 -5.516 -13.797 1.00 0.00 O ATOM 0 H ASP A 47 3.772 -8.120 -14.752 1.00 0.00 H new ATOM 0 HA ASP A 47 2.703 -7.454 -12.080 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.453 -5.702 -11.984 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.147 -7.297 -12.193 1.00 0.00 H new ATOM 711 N ASN A 48 1.605 -6.263 -14.662 1.00 0.00 N ATOM 712 CA ASN A 48 0.638 -5.336 -15.282 1.00 0.00 C ATOM 713 C ASN A 48 1.254 -3.979 -15.651 1.00 0.00 C ATOM 714 O ASN A 48 0.569 -2.952 -15.635 1.00 0.00 O ATOM 715 CB ASN A 48 -0.596 -5.121 -14.387 1.00 0.00 C ATOM 716 CG ASN A 48 -1.282 -6.411 -13.990 1.00 0.00 C ATOM 717 OD1 ASN A 48 -2.046 -6.992 -14.764 1.00 0.00 O ATOM 718 ND2 ASN A 48 -1.036 -6.857 -12.779 1.00 0.00 N ATOM 0 H ASN A 48 1.715 -7.139 -15.172 1.00 0.00 H new ATOM 0 HA ASN A 48 0.328 -5.818 -16.209 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.294 -4.587 -13.486 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.309 -4.485 -14.911 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.484 -7.712 -12.450 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.397 -6.348 -12.168 1.00 0.00 H new ATOM 725 N GLU A 49 2.515 -3.974 -16.018 1.00 0.00 N ATOM 726 CA GLU A 49 3.151 -2.761 -16.528 1.00 0.00 C ATOM 727 C GLU A 49 3.139 -2.810 -18.044 1.00 0.00 C ATOM 728 O GLU A 49 3.402 -3.849 -18.610 1.00 0.00 O ATOM 729 CB GLU A 49 4.596 -2.657 -16.026 1.00 0.00 C ATOM 730 CG GLU A 49 4.734 -2.399 -14.534 1.00 0.00 C ATOM 731 CD GLU A 49 4.169 -1.056 -14.124 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.550 -0.033 -14.727 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.335 -1.009 -13.200 1.00 0.00 O ATOM 0 H GLU A 49 3.127 -4.789 -15.977 1.00 0.00 H new ATOM 0 HA GLU A 49 2.603 -1.888 -16.173 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.119 -3.582 -16.271 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.097 -1.855 -16.567 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.223 -3.188 -13.983 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.787 -2.447 -14.256 1.00 0.00 H new ATOM 740 N ILE A 50 2.831 -1.708 -18.704 1.00 0.00 N ATOM 741 CA ILE A 50 2.754 -1.728 -20.163 1.00 0.00 C ATOM 742 C ILE A 50 4.123 -1.992 -20.767 1.00 0.00 C ATOM 743 O ILE A 50 5.078 -1.229 -20.560 1.00 0.00 O ATOM 744 CB ILE A 50 2.145 -0.427 -20.747 1.00 0.00 C ATOM 745 CG1 ILE A 50 0.696 -0.244 -20.259 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.200 -0.435 -22.275 1.00 0.00 C ATOM 747 CD1 ILE A 50 -0.258 -1.344 -20.692 1.00 0.00 C ATOM 0 H ILE A 50 2.634 -0.806 -18.271 1.00 0.00 H new ATOM 0 HA ILE A 50 2.081 -2.542 -20.432 1.00 0.00 H new ATOM 0 HB ILE A 50 2.740 0.415 -20.392 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.697 -0.189 -19.170 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.320 0.711 -20.626 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.767 0.488 -22.660 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.237 -0.513 -22.601 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.635 -1.286 -22.655 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.255 -1.134 -20.304 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.293 -1.387 -21.781 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.089 -2.301 -20.302 1.00 0.00 H new ATOM 759 N LEU A 51 4.208 -3.060 -21.527 1.00 0.00 N ATOM 760 CA LEU A 51 5.465 -3.523 -22.033 1.00 0.00 C ATOM 761 C LEU A 51 5.563 -3.301 -23.524 1.00 0.00 C ATOM 762 O LEU A 51 4.657 -3.655 -24.283 1.00 0.00 O ATOM 763 CB LEU A 51 5.678 -4.992 -21.669 1.00 0.00 C ATOM 764 CG LEU A 51 7.018 -5.602 -22.079 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.167 -4.844 -21.438 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.072 -7.060 -21.673 1.00 0.00 C ATOM 0 H LEU A 51 3.407 -3.625 -21.807 1.00 0.00 H new ATOM 0 HA LEU A 51 6.261 -2.943 -21.566 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.570 -5.096 -20.589 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.881 -5.577 -22.127 1.00 0.00 H new ATOM 0 HG LEU A 51 7.113 -5.529 -23.162 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.113 -5.293 -21.741 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.140 -3.803 -21.759 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.074 -4.892 -20.353 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.031 -7.485 -21.970 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.958 -7.141 -20.592 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.266 -7.605 -22.165 1.00 0.00 H new ATOM 778 N LEU A 52 6.661 -2.709 -23.928 1.00 0.00 N ATOM 779 CA LEU A 52 6.897 -2.349 -25.302 1.00 0.00 C ATOM 780 C LEU A 52 7.788 -3.381 -25.974 1.00 0.00 C ATOM 781 O LEU A 52 8.801 -3.807 -25.409 1.00 0.00 O ATOM 782 CB LEU A 52 7.567 -0.975 -25.354 1.00 0.00 C ATOM 783 CG LEU A 52 6.775 0.187 -24.745 1.00 0.00 C ATOM 784 CD1 LEU A 52 7.586 1.464 -24.788 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.451 0.372 -25.467 1.00 0.00 C ATOM 0 H LEU A 52 7.426 -2.461 -23.301 1.00 0.00 H new ATOM 0 HA LEU A 52 5.945 -2.315 -25.831 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.526 -1.042 -24.841 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.779 -0.736 -26.396 1.00 0.00 H new ATOM 0 HG LEU A 52 6.565 -0.053 -23.703 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.007 2.278 -24.351 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.507 1.329 -24.221 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.829 1.706 -25.823 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.905 1.202 -25.019 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.637 0.587 -26.519 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.860 -0.540 -25.382 1.00 0.00 H new ATOM 797 N GLU A 53 7.414 -3.761 -27.179 1.00 0.00 N ATOM 798 CA GLU A 53 8.142 -4.747 -27.966 1.00 0.00 C ATOM 799 C GLU A 53 9.525 -4.215 -28.339 1.00 0.00 C ATOM 800 O GLU A 53 10.505 -4.955 -28.356 1.00 0.00 O ATOM 801 CB GLU A 53 7.356 -5.076 -29.236 1.00 0.00 C ATOM 802 CG GLU A 53 6.043 -5.806 -28.987 1.00 0.00 C ATOM 803 CD GLU A 53 5.253 -6.011 -30.255 1.00 0.00 C ATOM 804 OE1 GLU A 53 4.445 -5.120 -30.603 1.00 0.00 O ATOM 805 OE2 GLU A 53 5.429 -7.050 -30.918 1.00 0.00 O ATOM 0 H GLU A 53 6.587 -3.392 -27.648 1.00 0.00 H new ATOM 0 HA GLU A 53 8.263 -5.651 -27.370 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.148 -4.149 -29.771 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.980 -5.687 -29.888 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.249 -6.774 -28.529 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.443 -5.238 -28.276 1.00 0.00 H new ATOM 812 N ASN A 54 9.589 -2.919 -28.615 1.00 0.00 N ATOM 813 CA ASN A 54 10.824 -2.264 -29.044 1.00 0.00 C ATOM 814 C ASN A 54 11.897 -2.316 -27.967 1.00 0.00 C ATOM 815 O ASN A 54 13.087 -2.364 -28.270 1.00 0.00 O ATOM 816 CB ASN A 54 10.569 -0.804 -29.431 1.00 0.00 C ATOM 817 CG ASN A 54 9.768 -0.648 -30.707 1.00 0.00 C ATOM 818 OD1 ASN A 54 9.748 -1.533 -31.558 1.00 0.00 O ATOM 819 ND2 ASN A 54 9.116 0.484 -30.853 1.00 0.00 N ATOM 0 H ASN A 54 8.789 -2.290 -28.549 1.00 0.00 H new ATOM 0 HA ASN A 54 11.180 -2.813 -29.916 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.041 -0.308 -28.617 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.526 -0.295 -29.547 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.568 0.652 -31.697 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.158 1.195 -30.122 1.00 0.00 H new ATOM 826 N GLN A 55 11.476 -2.294 -26.712 1.00 0.00 N ATOM 827 CA GLN A 55 12.412 -2.347 -25.594 1.00 0.00 C ATOM 828 C GLN A 55 13.036 -3.727 -25.455 1.00 0.00 C ATOM 829 O GLN A 55 14.129 -3.873 -24.914 1.00 0.00 O ATOM 830 CB GLN A 55 11.742 -1.935 -24.280 1.00 0.00 C ATOM 831 CG GLN A 55 11.274 -0.482 -24.219 1.00 0.00 C ATOM 832 CD GLN A 55 12.410 0.536 -24.325 1.00 0.00 C ATOM 833 OE1 GLN A 55 13.438 0.293 -24.955 1.00 0.00 O ATOM 834 NE2 GLN A 55 12.236 1.671 -23.693 1.00 0.00 N ATOM 0 H GLN A 55 10.494 -2.240 -26.440 1.00 0.00 H new ATOM 0 HA GLN A 55 13.206 -1.632 -25.811 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.884 -2.584 -24.109 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.442 -2.110 -23.463 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.563 -0.305 -25.026 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.740 -0.321 -23.282 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.371 1.841 -23.179 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.965 2.384 -23.715 1.00 0.00 H new ATOM 843 N LEU A 56 12.335 -4.731 -25.941 1.00 0.00 N ATOM 844 CA LEU A 56 12.774 -6.100 -25.791 1.00 0.00 C ATOM 845 C LEU A 56 13.901 -6.420 -26.767 1.00 0.00 C ATOM 846 O LEU A 56 13.795 -6.130 -27.961 1.00 0.00 O ATOM 847 CB LEU A 56 11.599 -7.049 -26.021 1.00 0.00 C ATOM 848 CG LEU A 56 10.383 -6.833 -25.115 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.272 -7.798 -25.474 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.767 -6.973 -23.647 1.00 0.00 C ATOM 0 H LEU A 56 11.455 -4.622 -26.445 1.00 0.00 H new ATOM 0 HA LEU A 56 13.152 -6.232 -24.777 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.277 -6.955 -27.058 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.951 -8.072 -25.888 1.00 0.00 H new ATOM 0 HG LEU A 56 10.018 -5.818 -25.272 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.417 -7.629 -24.819 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.973 -7.639 -26.510 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.626 -8.822 -25.352 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.887 -6.815 -23.024 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.164 -7.972 -23.468 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.526 -6.232 -23.397 1.00 0.00 H new ATOM 862 N PHE A 57 14.966 -7.017 -26.230 1.00 0.00 N ATOM 863 CA PHE A 57 16.128 -7.480 -26.991 1.00 0.00 C ATOM 864 C PHE A 57 16.905 -6.327 -27.644 1.00 0.00 C ATOM 865 O PHE A 57 16.431 -5.703 -28.602 1.00 0.00 O ATOM 866 CB PHE A 57 15.728 -8.542 -28.037 1.00 0.00 C ATOM 867 CG PHE A 57 16.891 -9.132 -28.784 1.00 0.00 C ATOM 868 CD1 PHE A 57 17.699 -10.084 -28.183 1.00 0.00 C ATOM 869 CD2 PHE A 57 17.181 -8.733 -30.078 1.00 0.00 C ATOM 870 CE1 PHE A 57 18.774 -10.628 -28.860 1.00 0.00 C ATOM 871 CE2 PHE A 57 18.255 -9.272 -30.758 1.00 0.00 C ATOM 872 CZ PHE A 57 19.052 -10.222 -30.148 1.00 0.00 C ATOM 0 H PHE A 57 15.047 -7.197 -25.229 1.00 0.00 H new ATOM 0 HA PHE A 57 16.802 -7.947 -26.273 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.186 -9.344 -27.536 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.040 -8.091 -28.753 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.486 -10.405 -27.174 1.00 0.00 H new ATOM 0 HD2 PHE A 57 16.560 -7.992 -30.560 1.00 0.00 H new ATOM 0 HE1 PHE A 57 19.395 -11.370 -28.381 1.00 0.00 H new ATOM 0 HE2 PHE A 57 18.472 -8.951 -31.766 1.00 0.00 H new ATOM 0 HZ PHE A 57 19.891 -10.646 -30.679 1.00 0.00 H new ATOM 882 N PRO A 58 18.110 -6.020 -27.127 1.00 0.00 N ATOM 883 CA PRO A 58 19.005 -5.028 -27.741 1.00 0.00 C ATOM 884 C PRO A 58 19.370 -5.464 -29.150 1.00 0.00 C ATOM 885 O PRO A 58 19.521 -6.666 -29.401 1.00 0.00 O ATOM 886 CB PRO A 58 20.245 -5.063 -26.839 1.00 0.00 C ATOM 887 CG PRO A 58 19.747 -5.608 -25.547 1.00 0.00 C ATOM 888 CD PRO A 58 18.698 -6.610 -25.915 1.00 0.00 C ATOM 0 HA PRO A 58 18.561 -4.036 -27.820 1.00 0.00 H new ATOM 0 HB2 PRO A 58 21.026 -5.694 -27.262 1.00 0.00 H new ATOM 0 HB3 PRO A 58 20.673 -4.068 -26.712 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.553 -6.074 -24.980 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.333 -4.818 -24.921 1.00 0.00 H new ATOM 0 HD2 PRO A 58 19.126 -7.594 -26.108 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.959 -6.734 -25.124 1.00 0.00 H new ATOM 896 N ASP A 59 19.521 -4.509 -30.064 1.00 0.00 N ATOM 897 CA ASP A 59 19.708 -4.850 -31.476 1.00 0.00 C ATOM 898 C ASP A 59 20.947 -5.704 -31.702 1.00 0.00 C ATOM 899 O ASP A 59 22.049 -5.377 -31.251 1.00 0.00 O ATOM 900 CB ASP A 59 19.711 -3.616 -32.406 1.00 0.00 C ATOM 901 CG ASP A 59 20.952 -2.746 -32.295 1.00 0.00 C ATOM 902 OD1 ASP A 59 21.935 -2.987 -33.038 1.00 0.00 O ATOM 903 OD2 ASP A 59 20.952 -1.804 -31.474 1.00 0.00 O ATOM 0 H ASP A 59 19.518 -3.510 -29.860 1.00 0.00 H new ATOM 0 HA ASP A 59 18.836 -5.445 -31.747 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.611 -3.954 -33.437 1.00 0.00 H new ATOM 0 HB3 ASP A 59 18.835 -3.007 -32.184 1.00 0.00 H new ATOM 908 N ASN A 60 20.723 -6.817 -32.364 1.00 0.00 N ATOM 909 CA ASN A 60 21.748 -7.776 -32.727 1.00 0.00 C ATOM 910 C ASN A 60 21.132 -8.766 -33.690 1.00 0.00 C ATOM 911 O ASN A 60 20.103 -9.372 -33.380 1.00 0.00 O ATOM 912 CB ASN A 60 22.263 -8.520 -31.490 1.00 0.00 C ATOM 913 CG ASN A 60 23.380 -9.489 -31.819 1.00 0.00 C ATOM 914 OD1 ASN A 60 23.136 -10.653 -32.152 1.00 0.00 O ATOM 915 ND2 ASN A 60 24.610 -9.029 -31.714 1.00 0.00 N ATOM 0 H ASN A 60 19.791 -7.091 -32.676 1.00 0.00 H new ATOM 0 HA ASN A 60 22.591 -7.257 -33.183 1.00 0.00 H new ATOM 0 HB2 ASN A 60 22.619 -7.796 -30.757 1.00 0.00 H new ATOM 0 HB3 ASN A 60 21.439 -9.064 -31.028 1.00 0.00 H new ATOM 0 HD21 ASN A 60 25.402 -9.641 -31.911 1.00 0.00 H new ATOM 0 HD22 ASN A 60 24.770 -8.061 -31.436 1.00 0.00 H new ATOM 922 N PHE A 61 21.716 -8.928 -34.849 1.00 0.00 N ATOM 923 CA PHE A 61 21.138 -9.799 -35.847 1.00 0.00 C ATOM 924 C PHE A 61 22.191 -10.464 -36.715 1.00 0.00 C ATOM 925 O PHE A 61 23.299 -9.945 -36.882 1.00 0.00 O ATOM 926 CB PHE A 61 20.099 -9.042 -36.698 1.00 0.00 C ATOM 927 CG PHE A 61 20.626 -7.826 -37.418 1.00 0.00 C ATOM 928 CD1 PHE A 61 20.601 -6.579 -36.807 1.00 0.00 C ATOM 929 CD2 PHE A 61 21.134 -7.925 -38.697 1.00 0.00 C ATOM 930 CE1 PHE A 61 21.071 -5.460 -37.461 1.00 0.00 C ATOM 931 CE2 PHE A 61 21.609 -6.807 -39.354 1.00 0.00 C ATOM 932 CZ PHE A 61 21.575 -5.575 -38.736 1.00 0.00 C ATOM 0 H PHE A 61 22.586 -8.473 -35.127 1.00 0.00 H new ATOM 0 HA PHE A 61 20.625 -10.601 -35.317 1.00 0.00 H new ATOM 0 HB2 PHE A 61 19.685 -9.730 -37.435 1.00 0.00 H new ATOM 0 HB3 PHE A 61 19.277 -8.735 -36.051 1.00 0.00 H new ATOM 0 HD1 PHE A 61 20.208 -6.485 -35.806 1.00 0.00 H new ATOM 0 HD2 PHE A 61 21.160 -8.886 -39.189 1.00 0.00 H new ATOM 0 HE1 PHE A 61 21.044 -4.496 -36.974 1.00 0.00 H new ATOM 0 HE2 PHE A 61 22.008 -6.898 -40.354 1.00 0.00 H new ATOM 0 HZ PHE A 61 21.944 -4.701 -39.252 1.00 0.00 H new ATOM 942 N ALA A 62 21.833 -11.608 -37.253 1.00 0.00 N ATOM 943 CA ALA A 62 22.699 -12.369 -38.113 1.00 0.00 C ATOM 944 C ALA A 62 22.362 -12.084 -39.563 1.00 0.00 C ATOM 945 O ALA A 62 21.362 -12.583 -40.097 1.00 0.00 O ATOM 946 CB ALA A 62 22.571 -13.853 -37.812 1.00 0.00 C ATOM 0 H ALA A 62 20.921 -12.038 -37.101 1.00 0.00 H new ATOM 0 HA ALA A 62 23.732 -12.074 -37.930 1.00 0.00 H new ATOM 0 HB1 ALA A 62 23.232 -14.416 -38.471 1.00 0.00 H new ATOM 0 HB2 ALA A 62 22.848 -14.039 -36.774 1.00 0.00 H new ATOM 0 HB3 ALA A 62 21.541 -14.170 -37.975 1.00 0.00 H new ATOM 952 N LYS A 63 23.162 -11.254 -40.177 1.00 0.00 N ATOM 953 CA LYS A 63 22.981 -10.881 -41.559 1.00 0.00 C ATOM 954 C LYS A 63 24.343 -10.669 -42.191 1.00 0.00 C ATOM 955 O LYS A 63 24.822 -11.577 -42.894 1.00 0.00 O ATOM 956 CB LYS A 63 22.131 -9.605 -41.660 1.00 0.00 C ATOM 957 CG LYS A 63 21.869 -9.114 -43.077 1.00 0.00 C ATOM 958 CD LYS A 63 21.045 -10.114 -43.873 1.00 0.00 C ATOM 959 CE LYS A 63 20.667 -9.560 -45.238 1.00 0.00 C ATOM 960 NZ LYS A 63 21.859 -9.286 -46.080 1.00 0.00 N ATOM 961 OXT LYS A 63 24.966 -9.619 -41.928 1.00 0.00 O ATOM 0 H LYS A 63 23.966 -10.812 -39.730 1.00 0.00 H new ATOM 0 HA LYS A 63 22.456 -11.675 -42.089 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.173 -9.785 -41.172 1.00 0.00 H new ATOM 0 HB3 LYS A 63 22.628 -8.811 -41.103 1.00 0.00 H new ATOM 0 HG2 LYS A 63 21.346 -8.158 -43.041 1.00 0.00 H new ATOM 0 HG3 LYS A 63 22.818 -8.939 -43.583 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.611 -11.037 -43.997 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.141 -10.367 -43.318 1.00 0.00 H new ATOM 0 HE2 LYS A 63 20.018 -10.270 -45.750 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.095 -8.641 -45.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 21.554 -9.023 -47.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 22.405 -8.505 -45.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 22.454 -10.138 -46.127 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.106 -19.015 -22.780 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.609 -6.286 -15.726 1.00 0.00 ZN