USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=13 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 22 THR OG1 : rot 117:sc= 2.16 USER MOD Set 1.2: A 26 HIS : no HE2:sc= -1.38 K(o=0.77,f=-1.5!) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.127 (180deg=0) USER MOD Single : A 5 SER OG : rot 44:sc= 0.708 USER MOD Single : A 6 LYS NZ :NH3+ -172:sc=-0.000173 (180deg=-0.0818) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 141:sc= -1.63 (180deg=-4.39!) USER MOD Single : A 21 GLN : amide:sc= 0.649 K(o=0.65,f=-3.1!) USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= 1.28 (180deg=1.18) USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= -0.0215 (180deg=-0.235) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -0.67 K(o=-0.67,f=-3.8!) USER MOD Single : A 43 LYS NZ :NH3+ 165:sc= -0.0197 (180deg=-0.218) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.2!) USER MOD Single : A 55 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.16) USER MOD Single : A 60 ASN : amide:sc= 0.145 K(o=0.15,f=-3.6!) USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= -0.0141 (180deg=-0.195) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.144 -28.483 -11.468 1.00 0.00 N ATOM 2 CA GLY A 1 15.430 -28.526 -12.191 1.00 0.00 C ATOM 3 C GLY A 1 16.586 -28.705 -11.237 1.00 0.00 C ATOM 4 O GLY A 1 16.365 -28.948 -10.055 1.00 0.00 O ATOM 0 H1 GLY A 1 13.510 -29.216 -11.844 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.309 -28.654 -10.456 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.706 -27.548 -11.594 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.419 -29.345 -12.911 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.562 -27.605 -12.758 1.00 0.00 H new ATOM 10 N PRO A 2 17.843 -28.606 -11.720 1.00 0.00 N ATOM 11 CA PRO A 2 19.038 -28.703 -10.855 1.00 0.00 C ATOM 12 C PRO A 2 18.986 -27.653 -9.746 1.00 0.00 C ATOM 13 O PRO A 2 19.320 -27.913 -8.586 1.00 0.00 O ATOM 14 CB PRO A 2 20.182 -28.374 -11.821 1.00 0.00 C ATOM 15 CG PRO A 2 19.654 -28.751 -13.156 1.00 0.00 C ATOM 16 CD PRO A 2 18.204 -28.384 -13.131 1.00 0.00 C ATOM 0 HA PRO A 2 19.134 -29.672 -10.365 1.00 0.00 H new ATOM 0 HB2 PRO A 2 20.445 -27.317 -11.781 1.00 0.00 H new ATOM 0 HB3 PRO A 2 21.083 -28.936 -11.576 1.00 0.00 H new ATOM 0 HG2 PRO A 2 20.179 -28.220 -13.950 1.00 0.00 H new ATOM 0 HG3 PRO A 2 19.786 -29.817 -13.343 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.042 -27.349 -13.433 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.616 -29.008 -13.803 1.00 0.00 H new ATOM 24 N LEU A 3 18.552 -26.478 -10.125 1.00 0.00 N ATOM 25 CA LEU A 3 18.360 -25.370 -9.231 1.00 0.00 C ATOM 26 C LEU A 3 17.143 -24.608 -9.692 1.00 0.00 C ATOM 27 O LEU A 3 16.940 -24.469 -10.909 1.00 0.00 O ATOM 28 CB LEU A 3 19.585 -24.444 -9.256 1.00 0.00 C ATOM 29 CG LEU A 3 19.473 -23.154 -8.436 1.00 0.00 C ATOM 30 CD1 LEU A 3 19.388 -23.454 -6.948 1.00 0.00 C ATOM 31 CD2 LEU A 3 20.637 -22.224 -8.738 1.00 0.00 C ATOM 0 H LEU A 3 18.316 -26.262 -11.094 1.00 0.00 H new ATOM 0 HA LEU A 3 18.226 -25.734 -8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 3 20.447 -25.006 -8.896 1.00 0.00 H new ATOM 0 HB3 LEU A 3 19.790 -24.175 -10.292 1.00 0.00 H new ATOM 0 HG LEU A 3 18.550 -22.651 -8.725 1.00 0.00 H new ATOM 0 HD11 LEU A 3 19.309 -22.520 -6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.510 -24.069 -6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 3 20.284 -23.989 -6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 3 20.539 -21.314 -8.146 1.00 0.00 H new ATOM 0 HD22 LEU A 3 21.574 -22.721 -8.487 1.00 0.00 H new ATOM 0 HD23 LEU A 3 20.634 -21.969 -9.798 1.00 0.00 H new ATOM 43 N GLY A 4 16.322 -24.153 -8.757 1.00 0.00 N ATOM 44 CA GLY A 4 15.225 -23.280 -9.122 1.00 0.00 C ATOM 45 C GLY A 4 15.770 -22.040 -9.798 1.00 0.00 C ATOM 46 O GLY A 4 16.366 -21.175 -9.144 1.00 0.00 O ATOM 0 H GLY A 4 16.394 -24.369 -7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.539 -23.800 -9.791 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.656 -23.003 -8.235 1.00 0.00 H new ATOM 50 N SER A 5 15.588 -21.964 -11.094 1.00 0.00 N ATOM 51 CA SER A 5 16.256 -20.972 -11.886 1.00 0.00 C ATOM 52 C SER A 5 15.400 -19.733 -12.060 1.00 0.00 C ATOM 53 O SER A 5 14.291 -19.800 -12.591 1.00 0.00 O ATOM 54 CB SER A 5 16.632 -21.573 -13.239 1.00 0.00 C ATOM 55 OG SER A 5 17.454 -22.725 -13.056 1.00 0.00 O ATOM 0 H SER A 5 14.976 -22.586 -11.622 1.00 0.00 H new ATOM 0 HA SER A 5 17.163 -20.662 -11.367 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.730 -21.844 -13.788 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.160 -20.832 -13.840 1.00 0.00 H new ATOM 0 HG SER A 5 17.091 -23.274 -12.330 1.00 0.00 H new ATOM 61 N LYS A 6 15.914 -18.611 -11.588 1.00 0.00 N ATOM 62 CA LYS A 6 15.246 -17.335 -11.738 1.00 0.00 C ATOM 63 C LYS A 6 15.224 -16.929 -13.207 1.00 0.00 C ATOM 64 O LYS A 6 14.280 -16.291 -13.681 1.00 0.00 O ATOM 65 CB LYS A 6 15.913 -16.252 -10.885 1.00 0.00 C ATOM 66 CG LYS A 6 15.174 -14.923 -10.916 1.00 0.00 C ATOM 67 CD LYS A 6 13.802 -15.050 -10.274 1.00 0.00 C ATOM 68 CE LYS A 6 12.985 -13.787 -10.448 1.00 0.00 C ATOM 69 NZ LYS A 6 13.640 -12.605 -9.842 1.00 0.00 N ATOM 0 H LYS A 6 16.804 -18.561 -11.092 1.00 0.00 H new ATOM 0 HA LYS A 6 14.220 -17.442 -11.386 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.978 -16.600 -9.854 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.934 -16.101 -11.235 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.757 -14.166 -10.391 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.068 -14.585 -11.947 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.270 -15.892 -10.716 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.916 -15.267 -9.212 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.824 -13.605 -11.511 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.003 -13.927 -9.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.987 -11.796 -9.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.894 -12.816 -8.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.500 -12.372 -10.378 1.00 0.00 H new ATOM 83 N TYR A 7 16.282 -17.301 -13.923 1.00 0.00 N ATOM 84 CA TYR A 7 16.377 -17.021 -15.347 1.00 0.00 C ATOM 85 C TYR A 7 15.556 -18.031 -16.133 1.00 0.00 C ATOM 86 O TYR A 7 16.087 -18.865 -16.884 1.00 0.00 O ATOM 87 CB TYR A 7 17.829 -17.023 -15.818 1.00 0.00 C ATOM 88 CG TYR A 7 18.690 -15.984 -15.142 1.00 0.00 C ATOM 89 CD1 TYR A 7 18.622 -14.651 -15.516 1.00 0.00 C ATOM 90 CD2 TYR A 7 19.561 -16.335 -14.121 1.00 0.00 C ATOM 91 CE1 TYR A 7 19.401 -13.697 -14.899 1.00 0.00 C ATOM 92 CE2 TYR A 7 20.341 -15.387 -13.495 1.00 0.00 C ATOM 93 CZ TYR A 7 20.259 -14.069 -13.888 1.00 0.00 C ATOM 94 OH TYR A 7 21.034 -13.117 -13.262 1.00 0.00 O ATOM 0 H TYR A 7 17.085 -17.798 -13.537 1.00 0.00 H new ATOM 0 HA TYR A 7 15.975 -16.024 -15.526 1.00 0.00 H new ATOM 0 HB2 TYR A 7 18.258 -18.009 -15.639 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.852 -16.856 -16.895 1.00 0.00 H new ATOM 0 HD1 TYR A 7 17.946 -14.355 -16.305 1.00 0.00 H new ATOM 0 HD2 TYR A 7 19.629 -17.368 -13.812 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.339 -12.663 -15.206 1.00 0.00 H new ATOM 0 HE2 TYR A 7 21.013 -15.676 -12.700 1.00 0.00 H new ATOM 0 HH TYR A 7 21.583 -13.544 -12.571 1.00 0.00 H new ATOM 104 N GLU A 8 14.268 -17.961 -15.923 1.00 0.00 N ATOM 105 CA GLU A 8 13.311 -18.834 -16.536 1.00 0.00 C ATOM 106 C GLU A 8 12.127 -18.000 -16.983 1.00 0.00 C ATOM 107 O GLU A 8 11.796 -16.998 -16.343 1.00 0.00 O ATOM 108 CB GLU A 8 12.859 -19.871 -15.505 1.00 0.00 C ATOM 109 CG GLU A 8 11.907 -20.930 -16.021 1.00 0.00 C ATOM 110 CD GLU A 8 11.488 -21.882 -14.927 1.00 0.00 C ATOM 111 OE1 GLU A 8 10.524 -21.576 -14.197 1.00 0.00 O ATOM 112 OE2 GLU A 8 12.136 -22.934 -14.767 1.00 0.00 O ATOM 0 H GLU A 8 13.846 -17.272 -15.300 1.00 0.00 H new ATOM 0 HA GLU A 8 13.746 -19.347 -17.394 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.742 -20.366 -15.102 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.380 -19.349 -14.676 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.024 -20.451 -16.445 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.385 -21.488 -16.826 1.00 0.00 H new ATOM 119 N CYS A 9 11.518 -18.383 -18.082 1.00 0.00 N ATOM 120 CA CYS A 9 10.339 -17.714 -18.574 1.00 0.00 C ATOM 121 C CYS A 9 9.114 -18.298 -17.885 1.00 0.00 C ATOM 122 O CYS A 9 8.742 -19.448 -18.141 1.00 0.00 O ATOM 123 CB CYS A 9 10.255 -17.894 -20.092 1.00 0.00 C ATOM 124 SG CYS A 9 8.780 -17.193 -20.920 1.00 0.00 S ATOM 0 H CYS A 9 11.827 -19.166 -18.658 1.00 0.00 H new ATOM 0 HA CYS A 9 10.386 -16.647 -18.356 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.142 -17.444 -20.538 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.294 -18.961 -20.311 1.00 0.00 H new ATOM 129 N PRO A 10 8.472 -17.520 -16.993 1.00 0.00 N ATOM 130 CA PRO A 10 7.343 -17.999 -16.188 1.00 0.00 C ATOM 131 C PRO A 10 6.113 -18.318 -17.032 1.00 0.00 C ATOM 132 O PRO A 10 5.206 -19.005 -16.581 1.00 0.00 O ATOM 133 CB PRO A 10 7.064 -16.843 -15.224 1.00 0.00 C ATOM 134 CG PRO A 10 7.590 -15.643 -15.923 1.00 0.00 C ATOM 135 CD PRO A 10 8.795 -16.109 -16.694 1.00 0.00 C ATOM 0 HA PRO A 10 7.578 -18.935 -15.681 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.998 -16.747 -15.017 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.562 -16.995 -14.267 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.839 -15.219 -16.590 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.860 -14.863 -15.211 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.942 -15.527 -17.604 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.709 -16.020 -16.107 1.00 0.00 H new ATOM 143 N ILE A 11 6.083 -17.802 -18.252 1.00 0.00 N ATOM 144 CA ILE A 11 4.985 -18.080 -19.160 1.00 0.00 C ATOM 145 C ILE A 11 4.959 -19.566 -19.554 1.00 0.00 C ATOM 146 O ILE A 11 3.904 -20.198 -19.563 1.00 0.00 O ATOM 147 CB ILE A 11 5.040 -17.183 -20.426 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.787 -15.723 -20.044 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.029 -17.643 -21.470 1.00 0.00 C ATOM 150 CD1 ILE A 11 4.991 -14.746 -21.182 1.00 0.00 C ATOM 0 H ILE A 11 6.805 -17.191 -18.633 1.00 0.00 H new ATOM 0 HA ILE A 11 4.063 -17.845 -18.629 1.00 0.00 H new ATOM 0 HB ILE A 11 6.035 -17.269 -20.864 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.766 -15.626 -19.674 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.451 -15.452 -19.223 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.090 -16.996 -22.345 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.249 -18.670 -21.761 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.024 -17.592 -21.051 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.793 -13.733 -20.832 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.019 -14.812 -21.538 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.308 -14.988 -21.996 1.00 0.00 H new ATOM 162 N CYS A 12 6.123 -20.120 -19.857 1.00 0.00 N ATOM 163 CA CYS A 12 6.201 -21.502 -20.304 1.00 0.00 C ATOM 164 C CYS A 12 6.748 -22.427 -19.213 1.00 0.00 C ATOM 165 O CYS A 12 6.620 -23.650 -19.305 1.00 0.00 O ATOM 166 CB CYS A 12 7.050 -21.593 -21.578 1.00 0.00 C ATOM 167 SG CYS A 12 8.691 -20.799 -21.455 1.00 0.00 S ATOM 0 H CYS A 12 7.020 -19.638 -19.802 1.00 0.00 H new ATOM 0 HA CYS A 12 5.189 -21.840 -20.527 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.187 -22.644 -21.833 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.500 -21.135 -22.400 1.00 0.00 H new ATOM 172 N LEU A 13 7.358 -21.826 -18.187 1.00 0.00 N ATOM 173 CA LEU A 13 8.007 -22.551 -17.075 1.00 0.00 C ATOM 174 C LEU A 13 9.098 -23.494 -17.584 1.00 0.00 C ATOM 175 O LEU A 13 9.470 -24.448 -16.908 1.00 0.00 O ATOM 176 CB LEU A 13 6.993 -23.357 -16.225 1.00 0.00 C ATOM 177 CG LEU A 13 5.990 -22.568 -15.374 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.820 -22.097 -16.206 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.511 -23.407 -14.204 1.00 0.00 C ATOM 0 H LEU A 13 7.419 -20.812 -18.098 1.00 0.00 H new ATOM 0 HA LEU A 13 8.457 -21.787 -16.441 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.428 -24.001 -16.899 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.558 -24.010 -15.559 1.00 0.00 H new ATOM 0 HG LEU A 13 6.499 -21.686 -14.984 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.126 -21.541 -15.576 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.180 -21.451 -17.007 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.309 -22.958 -16.636 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.800 -22.832 -13.611 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.026 -24.309 -14.577 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.362 -23.684 -13.582 1.00 0.00 H new ATOM 191 N MET A 14 9.619 -23.217 -18.764 1.00 0.00 N ATOM 192 CA MET A 14 10.635 -24.076 -19.349 1.00 0.00 C ATOM 193 C MET A 14 12.023 -23.547 -19.036 1.00 0.00 C ATOM 194 O MET A 14 12.781 -24.177 -18.296 1.00 0.00 O ATOM 195 CB MET A 14 10.436 -24.203 -20.864 1.00 0.00 C ATOM 196 CG MET A 14 9.128 -24.876 -21.314 1.00 0.00 C ATOM 197 SD MET A 14 9.039 -26.678 -21.051 1.00 0.00 S ATOM 198 CE MET A 14 8.849 -26.834 -19.271 1.00 0.00 C ATOM 0 H MET A 14 9.360 -22.412 -19.334 1.00 0.00 H new ATOM 0 HA MET A 14 10.536 -25.069 -18.909 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.478 -23.206 -21.302 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.273 -24.767 -21.275 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.298 -24.408 -20.784 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.983 -24.674 -22.375 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.148 -27.639 -19.049 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.815 -27.060 -18.820 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.468 -25.898 -18.862 1.00 0.00 H new ATOM 208 N ALA A 15 12.333 -22.385 -19.594 1.00 0.00 N ATOM 209 CA ALA A 15 13.613 -21.700 -19.421 1.00 0.00 C ATOM 210 C ALA A 15 13.562 -20.436 -20.250 1.00 0.00 C ATOM 211 O ALA A 15 12.485 -20.046 -20.694 1.00 0.00 O ATOM 212 CB ALA A 15 14.770 -22.581 -19.894 1.00 0.00 C ATOM 0 H ALA A 15 11.686 -21.876 -20.196 1.00 0.00 H new ATOM 0 HA ALA A 15 13.778 -21.474 -18.367 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.712 -22.050 -19.755 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.785 -23.504 -19.314 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.639 -22.818 -20.950 1.00 0.00 H new ATOM 218 N LEU A 16 14.690 -19.795 -20.465 1.00 0.00 N ATOM 219 CA LEU A 16 14.722 -18.658 -21.357 1.00 0.00 C ATOM 220 C LEU A 16 15.248 -19.105 -22.696 1.00 0.00 C ATOM 221 O LEU A 16 16.380 -19.576 -22.797 1.00 0.00 O ATOM 222 CB LEU A 16 15.614 -17.544 -20.799 1.00 0.00 C ATOM 223 CG LEU A 16 15.192 -16.940 -19.466 1.00 0.00 C ATOM 224 CD1 LEU A 16 16.187 -15.885 -19.029 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.809 -16.335 -19.581 1.00 0.00 C ATOM 0 H LEU A 16 15.585 -20.037 -20.041 1.00 0.00 H new ATOM 0 HA LEU A 16 13.712 -18.262 -21.460 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.624 -17.938 -20.691 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.662 -16.743 -21.537 1.00 0.00 H new ATOM 0 HG LEU A 16 15.169 -17.731 -18.717 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.873 -15.462 -18.075 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.172 -16.338 -18.918 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.233 -15.095 -19.779 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.518 -15.906 -18.622 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.816 -15.553 -20.341 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.096 -17.109 -19.864 1.00 0.00 H new ATOM 237 N ARG A 17 14.425 -18.985 -23.714 1.00 0.00 N ATOM 238 CA ARG A 17 14.821 -19.365 -25.059 1.00 0.00 C ATOM 239 C ARG A 17 15.902 -18.436 -25.602 1.00 0.00 C ATOM 240 O ARG A 17 16.896 -18.889 -26.166 1.00 0.00 O ATOM 241 CB ARG A 17 13.602 -19.353 -25.977 1.00 0.00 C ATOM 242 CG ARG A 17 13.879 -19.747 -27.417 1.00 0.00 C ATOM 243 CD ARG A 17 14.320 -21.194 -27.546 1.00 0.00 C ATOM 244 NE ARG A 17 14.551 -21.534 -28.942 1.00 0.00 N ATOM 245 CZ ARG A 17 14.677 -22.762 -29.428 1.00 0.00 C ATOM 246 NH1 ARG A 17 14.650 -23.811 -28.620 1.00 0.00 N ATOM 247 NH2 ARG A 17 14.836 -22.934 -30.734 1.00 0.00 N ATOM 0 H ARG A 17 13.473 -18.626 -23.639 1.00 0.00 H new ATOM 0 HA ARG A 17 15.237 -20.372 -25.023 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.852 -20.030 -25.569 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.168 -18.353 -25.967 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.980 -19.589 -28.013 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.652 -19.096 -27.827 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.232 -21.355 -26.971 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.558 -21.851 -27.127 1.00 0.00 H new ATOM 0 HE ARG A 17 14.622 -20.761 -29.604 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.532 -23.678 -27.616 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.748 -24.752 -29.002 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.861 -22.126 -31.356 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.934 -23.875 -31.116 1.00 0.00 H new ATOM 261 N GLU A 18 15.713 -17.144 -25.407 1.00 0.00 N ATOM 262 CA GLU A 18 16.660 -16.169 -25.926 1.00 0.00 C ATOM 263 C GLU A 18 16.991 -15.098 -24.870 1.00 0.00 C ATOM 264 O GLU A 18 17.981 -14.369 -24.998 1.00 0.00 O ATOM 265 CB GLU A 18 16.092 -15.559 -27.212 1.00 0.00 C ATOM 266 CG GLU A 18 17.072 -14.724 -28.014 1.00 0.00 C ATOM 267 CD GLU A 18 16.491 -14.296 -29.340 1.00 0.00 C ATOM 268 OE1 GLU A 18 16.049 -15.178 -30.124 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.455 -13.086 -29.618 1.00 0.00 O ATOM 0 H GLU A 18 14.923 -16.746 -24.899 1.00 0.00 H new ATOM 0 HA GLU A 18 17.602 -16.663 -26.163 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.721 -16.365 -27.845 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.235 -14.937 -26.953 1.00 0.00 H new ATOM 0 HG2 GLU A 18 17.353 -13.842 -27.439 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.983 -15.297 -28.185 1.00 0.00 H new ATOM 276 N ALA A 19 16.155 -15.046 -23.817 1.00 0.00 N ATOM 277 CA ALA A 19 16.299 -14.114 -22.688 1.00 0.00 C ATOM 278 C ALA A 19 16.063 -12.664 -23.085 1.00 0.00 C ATOM 279 O ALA A 19 16.985 -11.957 -23.462 1.00 0.00 O ATOM 280 CB ALA A 19 17.640 -14.278 -21.972 1.00 0.00 C ATOM 0 H ALA A 19 15.347 -15.662 -23.727 1.00 0.00 H new ATOM 0 HA ALA A 19 15.513 -14.381 -21.982 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.701 -13.569 -21.146 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.724 -15.294 -21.585 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.453 -14.088 -22.673 1.00 0.00 H new ATOM 286 N VAL A 20 14.821 -12.235 -23.014 1.00 0.00 N ATOM 287 CA VAL A 20 14.491 -10.845 -23.274 1.00 0.00 C ATOM 288 C VAL A 20 14.157 -10.108 -21.976 1.00 0.00 C ATOM 289 O VAL A 20 13.218 -10.470 -21.258 1.00 0.00 O ATOM 290 CB VAL A 20 13.366 -10.666 -24.333 1.00 0.00 C ATOM 291 CG1 VAL A 20 13.848 -11.121 -25.702 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.102 -11.415 -23.944 1.00 0.00 C ATOM 0 H VAL A 20 14.023 -12.825 -22.779 1.00 0.00 H new ATOM 0 HA VAL A 20 15.384 -10.395 -23.707 1.00 0.00 H new ATOM 0 HB VAL A 20 13.122 -9.605 -24.376 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.049 -10.989 -26.431 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.712 -10.527 -25.999 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.129 -12.173 -25.658 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.340 -11.265 -24.709 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.322 -12.479 -23.855 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.736 -11.039 -22.989 1.00 0.00 H new ATOM 302 N GLN A 21 14.967 -9.119 -21.667 1.00 0.00 N ATOM 303 CA GLN A 21 14.830 -8.332 -20.456 1.00 0.00 C ATOM 304 C GLN A 21 13.747 -7.264 -20.618 1.00 0.00 C ATOM 305 O GLN A 21 13.709 -6.550 -21.625 1.00 0.00 O ATOM 306 CB GLN A 21 16.181 -7.688 -20.118 1.00 0.00 C ATOM 307 CG GLN A 21 16.214 -6.906 -18.814 1.00 0.00 C ATOM 308 CD GLN A 21 17.572 -6.284 -18.552 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.456 -6.913 -17.957 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.752 -5.051 -18.980 1.00 0.00 N ATOM 0 H GLN A 21 15.750 -8.833 -22.255 1.00 0.00 H new ATOM 0 HA GLN A 21 14.527 -8.985 -19.638 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.938 -8.471 -20.074 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.461 -7.019 -20.932 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.457 -6.122 -18.843 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.955 -7.569 -17.988 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.999 -4.565 -19.467 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.645 -4.582 -18.825 1.00 0.00 H new ATOM 319 N THR A 22 12.866 -7.172 -19.639 1.00 0.00 N ATOM 320 CA THR A 22 11.837 -6.149 -19.617 1.00 0.00 C ATOM 321 C THR A 22 12.319 -4.968 -18.763 1.00 0.00 C ATOM 322 O THR A 22 13.178 -5.147 -17.894 1.00 0.00 O ATOM 323 CB THR A 22 10.513 -6.698 -19.019 1.00 0.00 C ATOM 324 OG1 THR A 22 10.679 -6.971 -17.623 1.00 0.00 O ATOM 325 CG2 THR A 22 10.093 -7.977 -19.719 1.00 0.00 C ATOM 0 H THR A 22 12.844 -7.803 -18.838 1.00 0.00 H new ATOM 0 HA THR A 22 11.648 -5.829 -20.642 1.00 0.00 H new ATOM 0 HB THR A 22 9.743 -5.940 -19.162 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.079 -6.396 -17.104 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.163 -8.342 -19.283 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.942 -7.778 -20.780 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.871 -8.731 -19.598 1.00 0.00 H new ATOM 333 N PRO A 23 11.781 -3.750 -18.987 1.00 0.00 N ATOM 334 CA PRO A 23 12.165 -2.557 -18.209 1.00 0.00 C ATOM 335 C PRO A 23 11.855 -2.699 -16.711 1.00 0.00 C ATOM 336 O PRO A 23 12.555 -2.137 -15.865 1.00 0.00 O ATOM 337 CB PRO A 23 11.318 -1.439 -18.835 1.00 0.00 C ATOM 338 CG PRO A 23 10.189 -2.149 -19.499 1.00 0.00 C ATOM 339 CD PRO A 23 10.778 -3.425 -20.016 1.00 0.00 C ATOM 0 HA PRO A 23 13.239 -2.373 -18.251 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.958 -0.743 -18.077 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.897 -0.857 -19.552 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.379 -2.345 -18.796 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.770 -1.552 -20.309 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.027 -4.209 -20.113 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.232 -3.294 -20.999 1.00 0.00 H new ATOM 347 N CYS A 24 10.826 -3.468 -16.392 1.00 0.00 N ATOM 348 CA CYS A 24 10.430 -3.689 -15.015 1.00 0.00 C ATOM 349 C CYS A 24 11.352 -4.690 -14.316 1.00 0.00 C ATOM 350 O CYS A 24 11.457 -4.696 -13.084 1.00 0.00 O ATOM 351 CB CYS A 24 8.982 -4.148 -14.967 1.00 0.00 C ATOM 352 SG CYS A 24 8.535 -5.248 -16.337 1.00 0.00 S ATOM 0 H CYS A 24 10.247 -3.953 -17.077 1.00 0.00 H new ATOM 0 HA CYS A 24 10.520 -2.747 -14.474 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.802 -4.662 -14.023 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.330 -3.275 -14.983 1.00 0.00 H new ATOM 357 N GLY A 25 12.016 -5.527 -15.097 1.00 0.00 N ATOM 358 CA GLY A 25 12.982 -6.439 -14.530 1.00 0.00 C ATOM 359 C GLY A 25 12.548 -7.888 -14.553 1.00 0.00 C ATOM 360 O GLY A 25 12.568 -8.557 -13.526 1.00 0.00 O ATOM 0 H GLY A 25 11.903 -5.590 -16.109 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.921 -6.343 -15.076 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.181 -6.146 -13.499 1.00 0.00 H new ATOM 364 N HIS A 26 12.136 -8.372 -15.711 1.00 0.00 N ATOM 365 CA HIS A 26 11.840 -9.796 -15.889 1.00 0.00 C ATOM 366 C HIS A 26 12.539 -10.251 -17.141 1.00 0.00 C ATOM 367 O HIS A 26 12.917 -9.422 -17.970 1.00 0.00 O ATOM 368 CB HIS A 26 10.344 -10.080 -16.104 1.00 0.00 C ATOM 369 CG HIS A 26 9.392 -9.318 -15.262 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.217 -9.526 -13.914 1.00 0.00 N ATOM 371 CD2 HIS A 26 8.535 -8.340 -15.604 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.290 -8.700 -13.464 1.00 0.00 C ATOM 373 NE2 HIS A 26 7.859 -7.966 -14.480 1.00 0.00 N ATOM 0 H HIS A 26 11.996 -7.805 -16.547 1.00 0.00 H new ATOM 0 HA HIS A 26 12.165 -10.311 -14.985 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.107 -9.882 -17.149 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.172 -11.143 -15.934 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.723 -10.210 -13.351 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.405 -7.925 -16.592 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.943 -8.634 -12.443 1.00 0.00 H new ATOM 380 N ARG A 27 12.721 -11.541 -17.287 1.00 0.00 N ATOM 381 CA ARG A 27 13.208 -12.082 -18.534 1.00 0.00 C ATOM 382 C ARG A 27 12.305 -13.196 -19.041 1.00 0.00 C ATOM 383 O ARG A 27 11.862 -14.052 -18.273 1.00 0.00 O ATOM 384 CB ARG A 27 14.678 -12.510 -18.448 1.00 0.00 C ATOM 385 CG ARG A 27 15.628 -11.330 -18.302 1.00 0.00 C ATOM 386 CD ARG A 27 17.077 -11.754 -18.230 1.00 0.00 C ATOM 387 NE ARG A 27 17.957 -10.586 -18.134 1.00 0.00 N ATOM 388 CZ ARG A 27 19.175 -10.512 -18.668 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.725 -11.578 -19.231 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.854 -9.378 -18.622 1.00 0.00 N ATOM 0 H ARG A 27 12.540 -12.234 -16.561 1.00 0.00 H new ATOM 0 HA ARG A 27 13.173 -11.281 -19.272 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.807 -13.182 -17.599 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.941 -13.073 -19.343 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.493 -10.653 -19.146 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.372 -10.772 -17.402 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.229 -12.401 -17.366 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.334 -12.337 -19.114 1.00 0.00 H new ATOM 0 HE ARG A 27 17.613 -9.773 -17.623 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.215 -12.461 -19.257 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.658 -11.515 -19.638 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.445 -8.557 -18.177 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.786 -9.325 -19.032 1.00 0.00 H new ATOM 404 N PHE A 28 12.030 -13.164 -20.331 1.00 0.00 N ATOM 405 CA PHE A 28 11.117 -14.106 -20.967 1.00 0.00 C ATOM 406 C PHE A 28 11.727 -14.640 -22.257 1.00 0.00 C ATOM 407 O PHE A 28 12.864 -14.294 -22.617 1.00 0.00 O ATOM 408 CB PHE A 28 9.788 -13.419 -21.324 1.00 0.00 C ATOM 409 CG PHE A 28 8.974 -12.906 -20.168 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.038 -13.716 -19.547 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.125 -11.605 -19.718 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.277 -13.238 -18.501 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.362 -11.126 -18.673 1.00 0.00 C ATOM 414 CZ PHE A 28 7.438 -11.943 -18.064 1.00 0.00 C ATOM 0 H PHE A 28 12.433 -12.482 -20.974 1.00 0.00 H new ATOM 0 HA PHE A 28 10.939 -14.919 -20.263 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.003 -12.583 -21.990 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.177 -14.125 -21.886 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.903 -14.733 -19.885 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.849 -10.958 -20.191 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.553 -13.882 -18.024 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.490 -10.109 -18.333 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.841 -11.569 -17.245 1.00 0.00 H new ATOM 424 N CYS A 29 10.980 -15.494 -22.937 1.00 0.00 N ATOM 425 CA CYS A 29 11.331 -15.922 -24.273 1.00 0.00 C ATOM 426 C CYS A 29 10.761 -14.918 -25.269 1.00 0.00 C ATOM 427 O CYS A 29 9.734 -14.289 -25.006 1.00 0.00 O ATOM 428 CB CYS A 29 10.749 -17.301 -24.567 1.00 0.00 C ATOM 429 SG CYS A 29 11.176 -18.584 -23.351 1.00 0.00 S ATOM 0 H CYS A 29 10.119 -15.906 -22.578 1.00 0.00 H new ATOM 0 HA CYS A 29 12.416 -15.977 -24.358 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.663 -17.218 -24.621 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.093 -17.623 -25.550 1.00 0.00 H new ATOM 434 N LYS A 30 11.395 -14.806 -26.417 1.00 0.00 N ATOM 435 CA LYS A 30 11.035 -13.806 -27.417 1.00 0.00 C ATOM 436 C LYS A 30 9.793 -14.243 -28.212 1.00 0.00 C ATOM 437 O LYS A 30 9.305 -13.532 -29.085 1.00 0.00 O ATOM 438 CB LYS A 30 12.224 -13.537 -28.346 1.00 0.00 C ATOM 439 CG LYS A 30 12.102 -12.262 -29.171 1.00 0.00 C ATOM 440 CD LYS A 30 13.374 -11.977 -29.948 1.00 0.00 C ATOM 441 CE LYS A 30 13.602 -12.998 -31.049 1.00 0.00 C ATOM 442 NZ LYS A 30 14.863 -12.744 -31.779 1.00 0.00 N ATOM 0 H LYS A 30 12.176 -15.403 -26.690 1.00 0.00 H new ATOM 0 HA LYS A 30 10.784 -12.877 -26.905 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.133 -13.482 -27.747 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.340 -14.384 -29.023 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.265 -12.354 -29.863 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.881 -11.422 -28.513 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.318 -10.979 -30.383 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.225 -11.981 -29.267 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.627 -13.999 -30.618 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.766 -12.972 -31.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.062 -13.541 -32.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.772 -11.870 -32.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.643 -12.642 -31.099 1.00 0.00 H new ATOM 456 N ALA A 31 9.294 -15.420 -27.908 1.00 0.00 N ATOM 457 CA ALA A 31 8.096 -15.913 -28.557 1.00 0.00 C ATOM 458 C ALA A 31 6.962 -16.069 -27.557 1.00 0.00 C ATOM 459 O ALA A 31 5.797 -16.119 -27.937 1.00 0.00 O ATOM 460 CB ALA A 31 8.377 -17.234 -29.239 1.00 0.00 C ATOM 0 H ALA A 31 9.697 -16.054 -27.217 1.00 0.00 H new ATOM 0 HA ALA A 31 7.791 -15.184 -29.308 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.469 -17.594 -29.723 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.158 -17.098 -29.987 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.707 -17.963 -28.499 1.00 0.00 H new ATOM 466 N CYS A 32 7.300 -16.134 -26.279 1.00 0.00 N ATOM 467 CA CYS A 32 6.288 -16.246 -25.248 1.00 0.00 C ATOM 468 C CYS A 32 5.709 -14.881 -24.888 1.00 0.00 C ATOM 469 O CYS A 32 4.507 -14.656 -25.009 1.00 0.00 O ATOM 470 CB CYS A 32 6.862 -16.927 -24.005 1.00 0.00 C ATOM 471 SG CYS A 32 7.665 -18.531 -24.325 1.00 0.00 S ATOM 0 H CYS A 32 8.260 -16.111 -25.935 1.00 0.00 H new ATOM 0 HA CYS A 32 5.478 -16.860 -25.641 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.587 -16.258 -23.542 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.058 -17.075 -23.283 1.00 0.00 H new ATOM 476 N ILE A 33 6.574 -13.963 -24.467 1.00 0.00 N ATOM 477 CA ILE A 33 6.121 -12.656 -24.011 1.00 0.00 C ATOM 478 C ILE A 33 5.537 -11.820 -25.158 1.00 0.00 C ATOM 479 O ILE A 33 4.500 -11.191 -25.002 1.00 0.00 O ATOM 480 CB ILE A 33 7.231 -11.874 -23.250 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.673 -10.609 -22.595 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.409 -11.538 -24.151 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.637 -10.877 -21.523 1.00 0.00 C ATOM 0 H ILE A 33 7.584 -14.099 -24.433 1.00 0.00 H new ATOM 0 HA ILE A 33 5.318 -12.843 -23.298 1.00 0.00 H new ATOM 0 HB ILE A 33 7.597 -12.532 -22.462 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.497 -10.045 -22.157 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.229 -9.979 -23.365 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.160 -10.993 -23.580 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.845 -12.459 -24.538 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.067 -10.921 -24.982 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.290 -9.931 -21.107 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.793 -11.413 -21.958 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.081 -11.480 -20.731 1.00 0.00 H new ATOM 495 N ILE A 34 6.182 -11.870 -26.320 1.00 0.00 N ATOM 496 CA ILE A 34 5.738 -11.105 -27.478 1.00 0.00 C ATOM 497 C ILE A 34 4.355 -11.539 -27.937 1.00 0.00 C ATOM 498 O ILE A 34 3.487 -10.710 -28.194 1.00 0.00 O ATOM 499 CB ILE A 34 6.758 -11.125 -28.650 1.00 0.00 C ATOM 500 CG1 ILE A 34 8.018 -10.346 -28.249 1.00 0.00 C ATOM 501 CG2 ILE A 34 6.153 -10.551 -29.930 1.00 0.00 C ATOM 502 CD1 ILE A 34 9.135 -10.403 -29.265 1.00 0.00 C ATOM 0 H ILE A 34 7.016 -12.434 -26.483 1.00 0.00 H new ATOM 0 HA ILE A 34 5.673 -10.068 -27.149 1.00 0.00 H new ATOM 0 HB ILE A 34 7.026 -12.161 -28.856 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.748 -9.303 -28.081 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.386 -10.737 -27.300 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.895 -10.581 -30.728 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.285 -11.143 -30.219 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.847 -9.519 -29.757 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.986 -9.827 -28.903 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.436 -11.439 -29.417 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.789 -9.984 -30.210 1.00 0.00 H new ATOM 514 N LYS A 35 4.127 -12.836 -27.965 1.00 0.00 N ATOM 515 CA LYS A 35 2.875 -13.376 -28.465 1.00 0.00 C ATOM 516 C LYS A 35 1.781 -13.234 -27.386 1.00 0.00 C ATOM 517 O LYS A 35 0.615 -13.528 -27.621 1.00 0.00 O ATOM 518 CB LYS A 35 3.085 -14.855 -28.846 1.00 0.00 C ATOM 519 CG LYS A 35 1.874 -15.572 -29.438 1.00 0.00 C ATOM 520 CD LYS A 35 1.497 -15.017 -30.801 1.00 0.00 C ATOM 521 CE LYS A 35 0.253 -15.700 -31.348 1.00 0.00 C ATOM 522 NZ LYS A 35 0.441 -17.165 -31.495 1.00 0.00 N ATOM 0 H LYS A 35 4.793 -13.540 -27.647 1.00 0.00 H new ATOM 0 HA LYS A 35 2.554 -12.826 -29.349 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.903 -14.912 -29.564 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.404 -15.397 -27.956 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.090 -16.637 -29.527 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.027 -15.474 -28.759 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.322 -13.944 -30.724 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.326 -15.155 -31.495 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.588 -15.508 -30.682 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.001 -15.268 -32.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.333 -17.559 -32.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.349 -17.353 -31.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.438 -17.611 -30.556 1.00 0.00 H new ATOM 536 N SER A 36 2.167 -12.723 -26.226 1.00 0.00 N ATOM 537 CA SER A 36 1.220 -12.467 -25.168 1.00 0.00 C ATOM 538 C SER A 36 0.954 -10.965 -25.038 1.00 0.00 C ATOM 539 O SER A 36 -0.095 -10.562 -24.542 1.00 0.00 O ATOM 540 CB SER A 36 1.728 -13.047 -23.832 1.00 0.00 C ATOM 541 OG SER A 36 0.794 -12.830 -22.777 1.00 0.00 O ATOM 0 H SER A 36 3.132 -12.480 -26.000 1.00 0.00 H new ATOM 0 HA SER A 36 0.282 -12.961 -25.420 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.909 -14.116 -23.944 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.682 -12.587 -23.574 1.00 0.00 H new ATOM 0 HG SER A 36 1.146 -13.211 -21.945 1.00 0.00 H new ATOM 547 N ILE A 37 1.878 -10.133 -25.520 1.00 0.00 N ATOM 548 CA ILE A 37 1.711 -8.691 -25.370 1.00 0.00 C ATOM 549 C ILE A 37 1.258 -8.028 -26.662 1.00 0.00 C ATOM 550 O ILE A 37 0.794 -6.904 -26.649 1.00 0.00 O ATOM 551 CB ILE A 37 2.995 -7.979 -24.858 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.166 -8.180 -25.830 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.358 -8.463 -23.463 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.406 -7.388 -25.473 1.00 0.00 C ATOM 0 H ILE A 37 2.727 -10.424 -26.005 1.00 0.00 H new ATOM 0 HA ILE A 37 0.933 -8.577 -24.615 1.00 0.00 H new ATOM 0 HB ILE A 37 2.788 -6.910 -24.805 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.421 -9.239 -25.862 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.844 -7.899 -26.833 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.259 -7.952 -23.124 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.538 -8.246 -22.778 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.537 -9.538 -23.486 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.187 -7.584 -26.207 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.170 -6.324 -25.470 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.755 -7.685 -24.484 1.00 0.00 H new ATOM 566 N ARG A 38 1.378 -8.719 -27.775 1.00 0.00 N ATOM 567 CA ARG A 38 0.867 -8.166 -29.017 1.00 0.00 C ATOM 568 C ARG A 38 -0.486 -8.774 -29.339 1.00 0.00 C ATOM 569 O ARG A 38 -1.088 -8.479 -30.366 1.00 0.00 O ATOM 570 CB ARG A 38 1.846 -8.358 -30.180 1.00 0.00 C ATOM 571 CG ARG A 38 2.003 -9.787 -30.672 1.00 0.00 C ATOM 572 CD ARG A 38 2.993 -9.841 -31.819 1.00 0.00 C ATOM 573 NE ARG A 38 2.546 -9.029 -32.952 1.00 0.00 N ATOM 574 CZ ARG A 38 3.357 -8.347 -33.767 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.678 -8.405 -33.604 1.00 0.00 N ATOM 576 NH2 ARG A 38 2.844 -7.599 -34.737 1.00 0.00 N ATOM 0 H ARG A 38 1.812 -9.639 -27.850 1.00 0.00 H new ATOM 0 HA ARG A 38 0.749 -7.091 -28.879 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.518 -7.739 -31.015 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.824 -7.988 -29.874 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.345 -10.424 -29.857 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.038 -10.175 -30.997 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.966 -9.487 -31.478 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.124 -10.874 -32.140 1.00 0.00 H new ATOM 0 HE ARG A 38 1.543 -8.980 -33.133 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.075 -8.972 -32.855 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.292 -7.883 -34.229 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.833 -7.546 -34.859 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.461 -7.078 -35.360 1.00 0.00 H new ATOM 590 N ASP A 39 -0.962 -9.625 -28.448 1.00 0.00 N ATOM 591 CA ASP A 39 -2.235 -10.293 -28.659 1.00 0.00 C ATOM 592 C ASP A 39 -3.240 -9.890 -27.603 1.00 0.00 C ATOM 593 O ASP A 39 -4.330 -9.412 -27.922 1.00 0.00 O ATOM 594 CB ASP A 39 -2.074 -11.809 -28.654 1.00 0.00 C ATOM 595 CG ASP A 39 -3.365 -12.508 -29.010 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.656 -12.638 -30.211 1.00 0.00 O ATOM 597 OD2 ASP A 39 -4.104 -12.925 -28.096 1.00 0.00 O ATOM 0 H ASP A 39 -0.491 -9.869 -27.577 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.602 -9.983 -29.638 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.297 -12.095 -29.363 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.742 -12.137 -27.669 1.00 0.00 H new ATOM 602 N ALA A 40 -2.874 -10.082 -26.345 1.00 0.00 N ATOM 603 CA ALA A 40 -3.735 -9.702 -25.241 1.00 0.00 C ATOM 604 C ALA A 40 -3.683 -8.194 -25.043 1.00 0.00 C ATOM 605 O ALA A 40 -4.665 -7.480 -25.283 1.00 0.00 O ATOM 606 CB ALA A 40 -3.308 -10.425 -23.972 1.00 0.00 C ATOM 0 H ALA A 40 -1.986 -10.499 -26.065 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.761 -9.989 -25.470 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.961 -10.133 -23.149 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.378 -11.502 -24.126 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.279 -10.159 -23.731 1.00 0.00 H new ATOM 612 N GLY A 41 -2.532 -7.720 -24.630 1.00 0.00 N ATOM 613 CA GLY A 41 -2.318 -6.317 -24.448 1.00 0.00 C ATOM 614 C GLY A 41 -0.871 -6.051 -24.175 1.00 0.00 C ATOM 615 O GLY A 41 -0.153 -6.959 -23.760 1.00 0.00 O ATOM 0 H GLY A 41 -1.722 -8.301 -24.413 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.634 -5.774 -25.339 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.926 -5.953 -23.620 1.00 0.00 H new ATOM 619 N HIS A 42 -0.430 -4.826 -24.388 1.00 0.00 N ATOM 620 CA HIS A 42 0.974 -4.502 -24.214 1.00 0.00 C ATOM 621 C HIS A 42 1.339 -4.247 -22.769 1.00 0.00 C ATOM 622 O HIS A 42 1.543 -3.099 -22.347 1.00 0.00 O ATOM 623 CB HIS A 42 1.442 -3.357 -25.122 1.00 0.00 C ATOM 624 CG HIS A 42 1.701 -3.767 -26.534 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.892 -3.421 -27.589 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.708 -4.491 -27.064 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.391 -3.913 -28.701 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.494 -4.567 -28.409 1.00 0.00 N ATOM 0 H HIS A 42 -1.017 -4.044 -24.679 1.00 0.00 H new ATOM 0 HA HIS A 42 1.517 -5.393 -24.529 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.687 -2.571 -25.116 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.353 -2.927 -24.707 1.00 0.00 H new ATOM 0 HD1 HIS A 42 0.037 -2.868 -27.520 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.533 -4.930 -26.523 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.967 -3.799 -29.688 1.00 0.00 H new ATOM 637 N LYS A 43 1.369 -5.318 -22.009 1.00 0.00 N ATOM 638 CA LYS A 43 1.823 -5.305 -20.648 1.00 0.00 C ATOM 639 C LYS A 43 2.279 -6.702 -20.262 1.00 0.00 C ATOM 640 O LYS A 43 1.742 -7.690 -20.770 1.00 0.00 O ATOM 641 CB LYS A 43 0.714 -4.814 -19.698 1.00 0.00 C ATOM 642 CG LYS A 43 -0.505 -5.723 -19.608 1.00 0.00 C ATOM 643 CD LYS A 43 -1.539 -5.164 -18.640 1.00 0.00 C ATOM 644 CE LYS A 43 -2.223 -3.924 -19.205 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.087 -4.250 -20.368 1.00 0.00 N ATOM 0 H LYS A 43 1.071 -6.239 -22.332 1.00 0.00 H new ATOM 0 HA LYS A 43 2.660 -4.612 -20.559 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.136 -4.698 -18.700 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.389 -3.826 -20.023 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.952 -5.836 -20.596 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.198 -6.717 -19.282 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.287 -5.927 -18.425 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.057 -4.915 -17.695 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.824 -3.454 -18.426 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.468 -3.198 -19.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.722 -3.450 -20.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.493 -4.433 -21.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.652 -5.096 -20.154 1.00 0.00 H new ATOM 659 N CYS A 44 3.259 -6.791 -19.392 1.00 0.00 N ATOM 660 CA CYS A 44 3.684 -8.072 -18.901 1.00 0.00 C ATOM 661 C CYS A 44 2.664 -8.607 -17.899 1.00 0.00 C ATOM 662 O CYS A 44 2.345 -7.946 -16.907 1.00 0.00 O ATOM 663 CB CYS A 44 5.096 -7.998 -18.318 1.00 0.00 C ATOM 664 SG CYS A 44 5.501 -6.412 -17.529 1.00 0.00 S ATOM 0 H CYS A 44 3.771 -5.994 -19.014 1.00 0.00 H new ATOM 0 HA CYS A 44 3.733 -8.776 -19.732 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.215 -8.796 -17.585 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.815 -8.188 -19.115 1.00 0.00 H new ATOM 669 N PRO A 45 2.144 -9.818 -18.144 1.00 0.00 N ATOM 670 CA PRO A 45 1.007 -10.371 -17.392 1.00 0.00 C ATOM 671 C PRO A 45 1.288 -10.558 -15.900 1.00 0.00 C ATOM 672 O PRO A 45 0.366 -10.573 -15.092 1.00 0.00 O ATOM 673 CB PRO A 45 0.766 -11.729 -18.072 1.00 0.00 C ATOM 674 CG PRO A 45 2.073 -12.065 -18.702 1.00 0.00 C ATOM 675 CD PRO A 45 2.622 -10.755 -19.176 1.00 0.00 C ATOM 0 HA PRO A 45 0.151 -9.697 -17.416 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.467 -12.488 -17.349 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.029 -11.666 -18.815 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.745 -12.539 -17.987 1.00 0.00 H new ATOM 0 HG3 PRO A 45 1.945 -12.762 -19.530 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.710 -10.770 -19.238 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.249 -10.493 -20.166 1.00 0.00 H new ATOM 683 N VAL A 46 2.550 -10.701 -15.544 1.00 0.00 N ATOM 684 CA VAL A 46 2.924 -10.948 -14.162 1.00 0.00 C ATOM 685 C VAL A 46 2.680 -9.740 -13.228 1.00 0.00 C ATOM 686 O VAL A 46 2.098 -9.893 -12.155 1.00 0.00 O ATOM 687 CB VAL A 46 4.383 -11.473 -14.031 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.499 -12.864 -14.637 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.368 -10.530 -14.708 1.00 0.00 C ATOM 0 H VAL A 46 3.336 -10.651 -16.192 1.00 0.00 H new ATOM 0 HA VAL A 46 2.252 -11.737 -13.824 1.00 0.00 H new ATOM 0 HB VAL A 46 4.628 -11.522 -12.970 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.525 -13.219 -14.539 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.827 -13.545 -14.115 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.228 -12.825 -15.692 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.379 -10.922 -14.601 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.122 -10.446 -15.767 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.309 -9.546 -14.242 1.00 0.00 H new ATOM 699 N ASP A 47 3.106 -8.551 -13.639 1.00 0.00 N ATOM 700 CA ASP A 47 2.979 -7.358 -12.788 1.00 0.00 C ATOM 701 C ASP A 47 2.127 -6.271 -13.436 1.00 0.00 C ATOM 702 O ASP A 47 2.000 -5.171 -12.886 1.00 0.00 O ATOM 703 CB ASP A 47 4.367 -6.789 -12.428 1.00 0.00 C ATOM 704 CG ASP A 47 5.190 -6.416 -13.647 1.00 0.00 C ATOM 705 OD1 ASP A 47 4.863 -6.840 -14.754 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.195 -5.699 -13.526 1.00 0.00 O ATOM 0 H ASP A 47 3.539 -8.381 -14.546 1.00 0.00 H new ATOM 0 HA ASP A 47 2.473 -7.678 -11.877 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.240 -5.908 -11.799 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.914 -7.525 -11.839 1.00 0.00 H new ATOM 711 N ASN A 48 1.539 -6.587 -14.589 1.00 0.00 N ATOM 712 CA ASN A 48 0.631 -5.676 -15.317 1.00 0.00 C ATOM 713 C ASN A 48 1.303 -4.345 -15.691 1.00 0.00 C ATOM 714 O ASN A 48 0.641 -3.303 -15.761 1.00 0.00 O ATOM 715 CB ASN A 48 -0.648 -5.410 -14.500 1.00 0.00 C ATOM 716 CG ASN A 48 -1.576 -6.610 -14.415 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.434 -7.463 -13.536 1.00 0.00 O ATOM 718 ND2 ASN A 48 -2.551 -6.672 -15.302 1.00 0.00 N ATOM 0 H ASN A 48 1.674 -7.485 -15.054 1.00 0.00 H new ATOM 0 HA ASN A 48 0.367 -6.180 -16.247 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.368 -5.106 -13.492 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.187 -4.575 -14.947 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.218 -7.444 -15.274 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.638 -5.948 -16.016 1.00 0.00 H new ATOM 725 N GLU A 49 2.590 -4.387 -15.977 1.00 0.00 N ATOM 726 CA GLU A 49 3.327 -3.185 -16.362 1.00 0.00 C ATOM 727 C GLU A 49 3.404 -3.072 -17.867 1.00 0.00 C ATOM 728 O GLU A 49 3.517 -4.072 -18.557 1.00 0.00 O ATOM 729 CB GLU A 49 4.721 -3.169 -15.744 1.00 0.00 C ATOM 730 CG GLU A 49 4.706 -3.005 -14.237 1.00 0.00 C ATOM 731 CD GLU A 49 4.133 -1.675 -13.811 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.706 -0.630 -14.179 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.115 -1.656 -13.092 1.00 0.00 O ATOM 0 H GLU A 49 3.153 -5.237 -15.952 1.00 0.00 H new ATOM 0 HA GLU A 49 2.786 -2.320 -15.978 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.234 -4.097 -15.997 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.297 -2.356 -16.185 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.121 -3.810 -13.792 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.722 -3.100 -13.853 1.00 0.00 H new ATOM 740 N ILE A 50 3.345 -1.849 -18.371 1.00 0.00 N ATOM 741 CA ILE A 50 3.270 -1.613 -19.807 1.00 0.00 C ATOM 742 C ILE A 50 4.560 -2.061 -20.486 1.00 0.00 C ATOM 743 O ILE A 50 5.654 -1.578 -20.164 1.00 0.00 O ATOM 744 CB ILE A 50 3.004 -0.112 -20.115 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.699 0.355 -19.447 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.954 0.142 -21.623 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.462 -0.394 -19.900 1.00 0.00 C ATOM 0 H ILE A 50 3.348 -1.000 -17.805 1.00 0.00 H new ATOM 0 HA ILE A 50 2.437 -2.197 -20.199 1.00 0.00 H new ATOM 0 HB ILE A 50 3.831 0.466 -19.703 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.799 0.247 -18.367 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.561 1.417 -19.650 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.767 1.200 -21.808 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.906 -0.142 -22.072 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.154 -0.451 -22.065 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.412 -0.002 -19.380 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.332 -0.266 -20.975 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.574 -1.454 -19.672 1.00 0.00 H new ATOM 759 N LEU A 51 4.422 -2.986 -21.412 1.00 0.00 N ATOM 760 CA LEU A 51 5.555 -3.595 -22.056 1.00 0.00 C ATOM 761 C LEU A 51 5.393 -3.599 -23.573 1.00 0.00 C ATOM 762 O LEU A 51 4.337 -3.954 -24.097 1.00 0.00 O ATOM 763 CB LEU A 51 5.743 -5.017 -21.530 1.00 0.00 C ATOM 764 CG LEU A 51 6.889 -5.824 -22.135 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.215 -5.136 -21.875 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.898 -7.219 -21.552 1.00 0.00 C ATOM 0 H LEU A 51 3.519 -3.334 -21.736 1.00 0.00 H new ATOM 0 HA LEU A 51 6.443 -3.007 -21.823 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.896 -4.964 -20.452 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.816 -5.566 -21.694 1.00 0.00 H new ATOM 0 HG LEU A 51 6.742 -5.892 -23.213 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.022 -5.724 -22.313 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.204 -4.143 -22.325 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.373 -5.046 -20.800 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.718 -7.790 -21.988 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.030 -7.161 -20.472 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.953 -7.713 -21.776 1.00 0.00 H new ATOM 778 N LEU A 52 6.432 -3.187 -24.265 1.00 0.00 N ATOM 779 CA LEU A 52 6.447 -3.170 -25.716 1.00 0.00 C ATOM 780 C LEU A 52 7.519 -4.126 -26.223 1.00 0.00 C ATOM 781 O LEU A 52 8.530 -4.333 -25.546 1.00 0.00 O ATOM 782 CB LEU A 52 6.705 -1.750 -26.260 1.00 0.00 C ATOM 783 CG LEU A 52 5.561 -0.716 -26.165 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.307 -1.203 -26.869 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.264 -0.313 -24.728 1.00 0.00 C ATOM 0 H LEU A 52 7.296 -2.852 -23.838 1.00 0.00 H new ATOM 0 HA LEU A 52 5.468 -3.490 -26.073 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.568 -1.342 -25.733 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.986 -1.841 -27.309 1.00 0.00 H new ATOM 0 HG LEU A 52 5.907 0.179 -26.682 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.524 -0.449 -26.781 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.526 -1.378 -27.922 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.969 -2.132 -26.410 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.453 0.415 -24.715 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.971 -1.194 -24.156 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.155 0.129 -24.282 1.00 0.00 H new ATOM 797 N GLU A 53 7.298 -4.696 -27.399 1.00 0.00 N ATOM 798 CA GLU A 53 8.207 -5.673 -27.995 1.00 0.00 C ATOM 799 C GLU A 53 9.576 -5.038 -28.238 1.00 0.00 C ATOM 800 O GLU A 53 10.614 -5.679 -28.076 1.00 0.00 O ATOM 801 CB GLU A 53 7.667 -6.201 -29.345 1.00 0.00 C ATOM 802 CG GLU A 53 6.231 -6.729 -29.331 1.00 0.00 C ATOM 803 CD GLU A 53 5.195 -5.650 -29.621 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.200 -4.604 -28.945 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.381 -5.829 -30.543 1.00 0.00 O ATOM 0 H GLU A 53 6.479 -4.494 -27.972 1.00 0.00 H new ATOM 0 HA GLU A 53 8.292 -6.505 -27.296 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.731 -5.397 -30.079 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.324 -7.000 -29.689 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.135 -7.524 -30.070 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.023 -7.172 -28.357 1.00 0.00 H new ATOM 812 N ASN A 54 9.555 -3.772 -28.627 1.00 0.00 N ATOM 813 CA ASN A 54 10.765 -3.008 -28.927 1.00 0.00 C ATOM 814 C ASN A 54 11.623 -2.844 -27.671 1.00 0.00 C ATOM 815 O ASN A 54 12.849 -2.812 -27.739 1.00 0.00 O ATOM 816 CB ASN A 54 10.373 -1.620 -29.475 1.00 0.00 C ATOM 817 CG ASN A 54 11.529 -0.833 -30.098 1.00 0.00 C ATOM 818 OD1 ASN A 54 12.697 -0.999 -29.751 1.00 0.00 O ATOM 819 ND2 ASN A 54 11.201 0.022 -31.035 1.00 0.00 N ATOM 0 H ASN A 54 8.694 -3.239 -28.745 1.00 0.00 H new ATOM 0 HA ASN A 54 11.346 -3.548 -29.675 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.591 -1.747 -30.224 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.945 -1.031 -28.664 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.924 0.573 -31.499 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.223 0.137 -31.301 1.00 0.00 H new ATOM 826 N GLN A 55 10.973 -2.774 -26.519 1.00 0.00 N ATOM 827 CA GLN A 55 11.675 -2.530 -25.271 1.00 0.00 C ATOM 828 C GLN A 55 12.388 -3.785 -24.797 1.00 0.00 C ATOM 829 O GLN A 55 13.274 -3.725 -23.950 1.00 0.00 O ATOM 830 CB GLN A 55 10.722 -2.003 -24.198 1.00 0.00 C ATOM 831 CG GLN A 55 9.995 -0.732 -24.606 1.00 0.00 C ATOM 832 CD GLN A 55 10.935 0.390 -25.004 1.00 0.00 C ATOM 833 OE1 GLN A 55 11.305 0.517 -26.172 1.00 0.00 O ATOM 834 NE2 GLN A 55 11.319 1.202 -24.057 1.00 0.00 N ATOM 0 H GLN A 55 9.963 -2.883 -26.424 1.00 0.00 H new ATOM 0 HA GLN A 55 12.428 -1.763 -25.454 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.987 -2.774 -23.965 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.285 -1.813 -23.284 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.329 -0.953 -25.440 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.369 -0.397 -23.779 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.990 1.063 -23.102 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.948 1.976 -24.272 1.00 0.00 H new ATOM 843 N LEU A 56 11.980 -4.912 -25.340 1.00 0.00 N ATOM 844 CA LEU A 56 12.580 -6.190 -25.028 1.00 0.00 C ATOM 845 C LEU A 56 13.917 -6.329 -25.733 1.00 0.00 C ATOM 846 O LEU A 56 14.045 -5.974 -26.911 1.00 0.00 O ATOM 847 CB LEU A 56 11.651 -7.312 -25.485 1.00 0.00 C ATOM 848 CG LEU A 56 10.298 -7.393 -24.788 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.432 -8.446 -25.449 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.488 -7.715 -23.318 1.00 0.00 C ATOM 0 H LEU A 56 11.217 -4.967 -26.015 1.00 0.00 H new ATOM 0 HA LEU A 56 12.737 -6.253 -23.951 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.478 -7.199 -26.555 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.166 -8.262 -25.344 1.00 0.00 H new ATOM 0 HG LEU A 56 9.799 -6.428 -24.873 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.468 -8.495 -24.942 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.279 -8.186 -26.496 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.925 -9.416 -25.384 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.515 -7.771 -22.829 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.000 -8.672 -23.218 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.086 -6.934 -22.849 1.00 0.00 H new ATOM 862 N PHE A 57 14.906 -6.845 -25.022 1.00 0.00 N ATOM 863 CA PHE A 57 16.218 -7.097 -25.599 1.00 0.00 C ATOM 864 C PHE A 57 16.988 -8.129 -24.776 1.00 0.00 C ATOM 865 O PHE A 57 16.759 -8.261 -23.567 1.00 0.00 O ATOM 866 CB PHE A 57 17.034 -5.787 -25.764 1.00 0.00 C ATOM 867 CG PHE A 57 17.303 -5.023 -24.488 1.00 0.00 C ATOM 868 CD1 PHE A 57 18.374 -5.358 -23.675 1.00 0.00 C ATOM 869 CD2 PHE A 57 16.492 -3.966 -24.112 1.00 0.00 C ATOM 870 CE1 PHE A 57 18.628 -4.661 -22.511 1.00 0.00 C ATOM 871 CE2 PHE A 57 16.744 -3.263 -22.950 1.00 0.00 C ATOM 872 CZ PHE A 57 17.813 -3.614 -22.150 1.00 0.00 C ATOM 0 H PHE A 57 14.825 -7.099 -24.038 1.00 0.00 H new ATOM 0 HA PHE A 57 16.064 -7.508 -26.597 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.989 -6.031 -26.229 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.501 -5.132 -26.454 1.00 0.00 H new ATOM 0 HD1 PHE A 57 19.020 -6.177 -23.956 1.00 0.00 H new ATOM 0 HD2 PHE A 57 15.654 -3.688 -24.734 1.00 0.00 H new ATOM 0 HE1 PHE A 57 19.464 -4.937 -21.886 1.00 0.00 H new ATOM 0 HE2 PHE A 57 16.105 -2.439 -22.667 1.00 0.00 H new ATOM 0 HZ PHE A 57 18.009 -3.066 -21.240 1.00 0.00 H new ATOM 882 N PRO A 58 17.880 -8.894 -25.426 1.00 0.00 N ATOM 883 CA PRO A 58 18.751 -9.865 -24.753 1.00 0.00 C ATOM 884 C PRO A 58 19.958 -9.180 -24.096 1.00 0.00 C ATOM 885 O PRO A 58 19.981 -7.956 -23.952 1.00 0.00 O ATOM 886 CB PRO A 58 19.208 -10.757 -25.901 1.00 0.00 C ATOM 887 CG PRO A 58 19.245 -9.851 -27.077 1.00 0.00 C ATOM 888 CD PRO A 58 18.106 -8.888 -26.891 1.00 0.00 C ATOM 0 HA PRO A 58 18.246 -10.401 -23.949 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.188 -11.191 -25.702 1.00 0.00 H new ATOM 0 HB3 PRO A 58 18.519 -11.586 -26.059 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.197 -9.323 -27.134 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.135 -10.411 -28.005 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.360 -7.892 -27.253 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.217 -9.208 -27.435 1.00 0.00 H new ATOM 896 N ASP A 59 20.956 -9.960 -23.699 1.00 0.00 N ATOM 897 CA ASP A 59 22.140 -9.393 -23.065 1.00 0.00 C ATOM 898 C ASP A 59 23.019 -8.693 -24.088 1.00 0.00 C ATOM 899 O ASP A 59 23.887 -9.309 -24.716 1.00 0.00 O ATOM 900 CB ASP A 59 22.967 -10.447 -22.308 1.00 0.00 C ATOM 901 CG ASP A 59 22.306 -10.966 -21.052 1.00 0.00 C ATOM 902 OD1 ASP A 59 21.998 -10.161 -20.154 1.00 0.00 O ATOM 903 OD2 ASP A 59 22.121 -12.197 -20.929 1.00 0.00 O ATOM 0 H ASP A 59 20.970 -10.975 -23.803 1.00 0.00 H new ATOM 0 HA ASP A 59 21.780 -8.667 -22.336 1.00 0.00 H new ATOM 0 HB2 ASP A 59 23.164 -11.286 -22.975 1.00 0.00 H new ATOM 0 HB3 ASP A 59 23.933 -10.015 -22.045 1.00 0.00 H new ATOM 908 N ASN A 60 22.786 -7.408 -24.258 1.00 0.00 N ATOM 909 CA ASN A 60 23.559 -6.588 -25.184 1.00 0.00 C ATOM 910 C ASN A 60 24.621 -5.818 -24.421 1.00 0.00 C ATOM 911 O ASN A 60 25.254 -4.909 -24.957 1.00 0.00 O ATOM 912 CB ASN A 60 22.656 -5.596 -25.942 1.00 0.00 C ATOM 913 CG ASN A 60 22.039 -4.520 -25.049 1.00 0.00 C ATOM 914 OD1 ASN A 60 21.751 -4.749 -23.867 1.00 0.00 O ATOM 915 ND2 ASN A 60 21.860 -3.333 -25.599 1.00 0.00 N ATOM 0 H ASN A 60 22.057 -6.897 -23.761 1.00 0.00 H new ATOM 0 HA ASN A 60 24.028 -7.251 -25.911 1.00 0.00 H new ATOM 0 HB2 ASN A 60 23.239 -5.114 -26.726 1.00 0.00 H new ATOM 0 HB3 ASN A 60 21.856 -6.150 -26.434 1.00 0.00 H new ATOM 0 HD21 ASN A 60 21.473 -2.568 -25.046 1.00 0.00 H new ATOM 0 HD22 ASN A 60 22.109 -3.181 -26.576 1.00 0.00 H new ATOM 922 N PHE A 61 24.826 -6.216 -23.171 1.00 0.00 N ATOM 923 CA PHE A 61 25.768 -5.561 -22.270 1.00 0.00 C ATOM 924 C PHE A 61 27.176 -5.652 -22.840 1.00 0.00 C ATOM 925 O PHE A 61 27.964 -4.705 -22.753 1.00 0.00 O ATOM 926 CB PHE A 61 25.717 -6.239 -20.901 1.00 0.00 C ATOM 927 CG PHE A 61 24.407 -6.063 -20.180 1.00 0.00 C ATOM 928 CD1 PHE A 61 24.147 -4.917 -19.453 1.00 0.00 C ATOM 929 CD2 PHE A 61 23.438 -7.049 -20.230 1.00 0.00 C ATOM 930 CE1 PHE A 61 22.944 -4.756 -18.790 1.00 0.00 C ATOM 931 CE2 PHE A 61 22.232 -6.895 -19.569 1.00 0.00 C ATOM 932 CZ PHE A 61 21.987 -5.746 -18.847 1.00 0.00 C ATOM 0 H PHE A 61 24.340 -7.008 -22.751 1.00 0.00 H new ATOM 0 HA PHE A 61 25.497 -4.511 -22.164 1.00 0.00 H new ATOM 0 HB2 PHE A 61 25.911 -7.304 -21.027 1.00 0.00 H new ATOM 0 HB3 PHE A 61 26.519 -5.841 -20.279 1.00 0.00 H new ATOM 0 HD1 PHE A 61 24.893 -4.137 -19.402 1.00 0.00 H new ATOM 0 HD2 PHE A 61 23.625 -7.952 -20.793 1.00 0.00 H new ATOM 0 HE1 PHE A 61 22.754 -3.854 -18.227 1.00 0.00 H new ATOM 0 HE2 PHE A 61 21.484 -7.673 -19.618 1.00 0.00 H new ATOM 0 HZ PHE A 61 21.048 -5.622 -18.328 1.00 0.00 H new ATOM 942 N ALA A 62 27.472 -6.795 -23.410 1.00 0.00 N ATOM 943 CA ALA A 62 28.698 -7.027 -24.126 1.00 0.00 C ATOM 944 C ALA A 62 28.356 -7.681 -25.453 1.00 0.00 C ATOM 945 O ALA A 62 27.513 -8.585 -25.507 1.00 0.00 O ATOM 946 CB ALA A 62 29.614 -7.924 -23.313 1.00 0.00 C ATOM 0 H ALA A 62 26.853 -7.605 -23.387 1.00 0.00 H new ATOM 0 HA ALA A 62 29.217 -6.085 -24.301 1.00 0.00 H new ATOM 0 HB1 ALA A 62 30.539 -8.094 -23.863 1.00 0.00 H new ATOM 0 HB2 ALA A 62 29.841 -7.445 -22.361 1.00 0.00 H new ATOM 0 HB3 ALA A 62 29.120 -8.878 -23.130 1.00 0.00 H new ATOM 952 N LYS A 63 28.980 -7.230 -26.512 1.00 0.00 N ATOM 953 CA LYS A 63 28.719 -7.767 -27.828 1.00 0.00 C ATOM 954 C LYS A 63 30.021 -7.916 -28.583 1.00 0.00 C ATOM 955 O LYS A 63 30.569 -9.033 -28.602 1.00 0.00 O ATOM 956 CB LYS A 63 27.722 -6.879 -28.602 1.00 0.00 C ATOM 957 CG LYS A 63 27.375 -7.382 -30.009 1.00 0.00 C ATOM 958 CD LYS A 63 26.624 -8.712 -29.976 1.00 0.00 C ATOM 959 CE LYS A 63 25.194 -8.557 -29.476 1.00 0.00 C ATOM 960 NZ LYS A 63 24.356 -7.776 -30.412 1.00 0.00 N ATOM 961 OXT LYS A 63 30.515 -6.910 -29.125 1.00 0.00 O ATOM 0 H LYS A 63 29.678 -6.487 -26.490 1.00 0.00 H new ATOM 0 HA LYS A 63 28.261 -8.750 -27.724 1.00 0.00 H new ATOM 0 HB2 LYS A 63 26.802 -6.798 -28.023 1.00 0.00 H new ATOM 0 HB3 LYS A 63 28.137 -5.874 -28.682 1.00 0.00 H new ATOM 0 HG2 LYS A 63 26.767 -6.636 -30.520 1.00 0.00 H new ATOM 0 HG3 LYS A 63 28.291 -7.498 -30.588 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.612 -9.144 -30.976 1.00 0.00 H new ATOM 0 HD3 LYS A 63 27.157 -9.412 -29.333 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.752 -9.543 -29.332 1.00 0.00 H new ATOM 0 HE3 LYS A 63 25.202 -8.066 -28.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.354 -7.893 -30.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 24.613 -6.770 -30.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 24.511 -8.115 -31.383 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 8.936 -18.898 -22.554 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.456 -6.123 -15.532 1.00 0.00 ZN