USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 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 54 ASN :FLIP amide:sc= 0.438 F(o=-0.13,f=0.61) USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= 0.173 F(o=-0.091,f=0.61) USER MOD Set 2.1: A 22 THR OG1 : rot 101:sc= 1.86 USER MOD Set 2.2: A 26 HIS :FLIP no HE2:sc= -1.76 F(o=-1.6!,f=0.1) USER MOD Single : A 1 GLY N :NH3+ -101:sc= 0.0595 (180deg=0) USER MOD Single : A 5 SER OG : rot -100:sc= -0.843 USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.056 (180deg=-0.337) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -122:sc= -0.702 (180deg=-1.41) USER MOD Single : A 21 GLN : amide:sc= -2.4 K(o=-2.4,f=-7.9!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0469) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0.834 K(o=0.83,f=-5.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= -0.044 (180deg=-0.246) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.688 -24.678 -16.089 1.00 0.00 N ATOM 2 CA GLY A 1 23.305 -23.775 -14.993 1.00 0.00 C ATOM 3 C GLY A 1 22.145 -24.332 -14.204 1.00 0.00 C ATOM 4 O GLY A 1 21.367 -25.131 -14.732 1.00 0.00 O ATOM 0 H1 GLY A 1 24.529 -25.223 -15.812 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.904 -25.330 -16.291 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.902 -24.120 -16.940 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.157 -23.621 -14.331 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.037 -22.800 -15.399 1.00 0.00 H new ATOM 10 N PRO A 2 22.002 -23.935 -12.931 1.00 0.00 N ATOM 11 CA PRO A 2 20.939 -24.432 -12.055 1.00 0.00 C ATOM 12 C PRO A 2 19.533 -24.007 -12.497 1.00 0.00 C ATOM 13 O PRO A 2 19.342 -22.933 -13.079 1.00 0.00 O ATOM 14 CB PRO A 2 21.296 -23.837 -10.692 1.00 0.00 C ATOM 15 CG PRO A 2 22.077 -22.619 -11.015 1.00 0.00 C ATOM 16 CD PRO A 2 22.871 -22.966 -12.237 1.00 0.00 C ATOM 0 HA PRO A 2 20.893 -25.521 -12.060 1.00 0.00 H new ATOM 0 HB2 PRO A 2 20.402 -23.595 -10.117 1.00 0.00 H new ATOM 0 HB3 PRO A 2 21.880 -24.536 -10.094 1.00 0.00 H new ATOM 0 HG2 PRO A 2 21.420 -21.769 -11.202 1.00 0.00 H new ATOM 0 HG3 PRO A 2 22.730 -22.341 -10.188 1.00 0.00 H new ATOM 0 HD2 PRO A 2 23.070 -22.088 -12.852 1.00 0.00 H new ATOM 0 HD3 PRO A 2 23.837 -23.401 -11.981 1.00 0.00 H new ATOM 24 N LEU A 3 18.565 -24.872 -12.218 1.00 0.00 N ATOM 25 CA LEU A 3 17.174 -24.671 -12.593 1.00 0.00 C ATOM 26 C LEU A 3 16.582 -23.443 -11.910 1.00 0.00 C ATOM 27 O LEU A 3 15.930 -22.624 -12.551 1.00 0.00 O ATOM 28 CB LEU A 3 16.354 -25.918 -12.232 1.00 0.00 C ATOM 29 CG LEU A 3 14.851 -25.872 -12.545 1.00 0.00 C ATOM 30 CD1 LEU A 3 14.607 -25.652 -14.030 1.00 0.00 C ATOM 31 CD2 LEU A 3 14.171 -27.147 -12.072 1.00 0.00 C ATOM 0 H LEU A 3 18.729 -25.745 -11.717 1.00 0.00 H new ATOM 0 HA LEU A 3 17.135 -24.505 -13.670 1.00 0.00 H new ATOM 0 HB2 LEU A 3 16.784 -26.771 -12.756 1.00 0.00 H new ATOM 0 HB3 LEU A 3 16.473 -26.106 -11.165 1.00 0.00 H new ATOM 0 HG LEU A 3 14.419 -25.028 -12.007 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.534 -25.624 -14.222 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.056 -24.707 -14.336 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.056 -26.467 -14.597 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.107 -27.098 -12.301 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.613 -28.005 -12.579 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.306 -27.253 -10.996 1.00 0.00 H new ATOM 43 N GLY A 4 16.836 -23.309 -10.625 1.00 0.00 N ATOM 44 CA GLY A 4 16.262 -22.217 -9.877 1.00 0.00 C ATOM 45 C GLY A 4 17.193 -21.031 -9.800 1.00 0.00 C ATOM 46 O GLY A 4 18.065 -20.969 -8.934 1.00 0.00 O ATOM 0 H GLY A 4 17.430 -23.937 -10.084 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.325 -21.912 -10.343 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.022 -22.555 -8.869 1.00 0.00 H new ATOM 50 N SER A 5 17.034 -20.104 -10.721 1.00 0.00 N ATOM 51 CA SER A 5 17.823 -18.889 -10.724 1.00 0.00 C ATOM 52 C SER A 5 16.971 -17.703 -11.178 1.00 0.00 C ATOM 53 O SER A 5 16.547 -16.881 -10.356 1.00 0.00 O ATOM 54 CB SER A 5 19.046 -19.048 -11.633 1.00 0.00 C ATOM 55 OG SER A 5 19.836 -20.159 -11.241 1.00 0.00 O ATOM 0 H SER A 5 16.360 -20.170 -11.484 1.00 0.00 H new ATOM 0 HA SER A 5 18.170 -18.698 -9.708 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.721 -19.176 -12.665 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.648 -18.140 -11.599 1.00 0.00 H new ATOM 0 HG SER A 5 20.603 -19.846 -10.718 1.00 0.00 H new ATOM 61 N LYS A 6 16.707 -17.645 -12.485 1.00 0.00 N ATOM 62 CA LYS A 6 15.929 -16.570 -13.103 1.00 0.00 C ATOM 63 C LYS A 6 15.851 -16.856 -14.609 1.00 0.00 C ATOM 64 O LYS A 6 15.692 -15.963 -15.439 1.00 0.00 O ATOM 65 CB LYS A 6 16.635 -15.221 -12.843 1.00 0.00 C ATOM 66 CG LYS A 6 15.864 -13.977 -13.269 1.00 0.00 C ATOM 67 CD LYS A 6 14.566 -13.849 -12.491 1.00 0.00 C ATOM 68 CE LYS A 6 13.917 -12.498 -12.708 1.00 0.00 C ATOM 69 NZ LYS A 6 14.735 -11.393 -12.150 1.00 0.00 N ATOM 0 H LYS A 6 17.030 -18.349 -13.149 1.00 0.00 H new ATOM 0 HA LYS A 6 14.924 -16.519 -12.684 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.851 -15.145 -11.777 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.593 -15.228 -13.363 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.478 -13.091 -13.107 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.649 -14.026 -14.337 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.878 -14.637 -12.797 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.762 -13.993 -11.428 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.767 -12.335 -13.775 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.931 -12.490 -12.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.148 -10.540 -12.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.099 -11.668 -11.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.533 -11.196 -12.787 1.00 0.00 H new ATOM 83 N TYR A 7 15.949 -18.129 -14.948 1.00 0.00 N ATOM 84 CA TYR A 7 16.035 -18.547 -16.330 1.00 0.00 C ATOM 85 C TYR A 7 14.832 -19.348 -16.783 1.00 0.00 C ATOM 86 O TYR A 7 14.883 -20.022 -17.813 1.00 0.00 O ATOM 87 CB TYR A 7 17.343 -19.277 -16.619 1.00 0.00 C ATOM 88 CG TYR A 7 18.553 -18.389 -16.510 1.00 0.00 C ATOM 89 CD1 TYR A 7 18.897 -17.540 -17.550 1.00 0.00 C ATOM 90 CD2 TYR A 7 19.342 -18.386 -15.374 1.00 0.00 C ATOM 91 CE1 TYR A 7 19.994 -16.716 -17.463 1.00 0.00 C ATOM 92 CE2 TYR A 7 20.445 -17.563 -15.276 1.00 0.00 C ATOM 93 CZ TYR A 7 20.765 -16.729 -16.324 1.00 0.00 C ATOM 94 OH TYR A 7 21.864 -15.903 -16.237 1.00 0.00 O ATOM 0 H TYR A 7 15.971 -18.896 -14.276 1.00 0.00 H new ATOM 0 HA TYR A 7 16.030 -17.633 -16.924 1.00 0.00 H new ATOM 0 HB2 TYR A 7 17.448 -20.110 -15.924 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.301 -19.702 -17.622 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.292 -17.525 -18.445 1.00 0.00 H new ATOM 0 HD2 TYR A 7 19.091 -19.038 -14.551 1.00 0.00 H new ATOM 0 HE1 TYR A 7 20.249 -16.062 -18.284 1.00 0.00 H new ATOM 0 HE2 TYR A 7 21.053 -17.573 -14.384 1.00 0.00 H new ATOM 0 HH TYR A 7 22.301 -16.031 -15.369 1.00 0.00 H new ATOM 104 N GLU A 8 13.767 -19.289 -16.018 1.00 0.00 N ATOM 105 CA GLU A 8 12.524 -19.912 -16.419 1.00 0.00 C ATOM 106 C GLU A 8 11.508 -18.848 -16.827 1.00 0.00 C ATOM 107 O GLU A 8 11.149 -17.988 -16.022 1.00 0.00 O ATOM 108 CB GLU A 8 11.953 -20.752 -15.285 1.00 0.00 C ATOM 109 CG GLU A 8 10.669 -21.476 -15.649 1.00 0.00 C ATOM 110 CD GLU A 8 10.090 -22.237 -14.488 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.436 -21.607 -13.628 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.271 -23.467 -14.424 1.00 0.00 O ATOM 0 H GLU A 8 13.735 -18.817 -15.115 1.00 0.00 H new ATOM 0 HA GLU A 8 12.729 -20.561 -17.270 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.698 -21.485 -14.977 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.766 -20.108 -14.426 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.936 -20.753 -16.007 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.864 -22.165 -16.470 1.00 0.00 H new ATOM 119 N CYS A 9 11.054 -18.909 -18.073 1.00 0.00 N ATOM 120 CA CYS A 9 10.012 -18.025 -18.569 1.00 0.00 C ATOM 121 C CYS A 9 8.687 -18.424 -17.948 1.00 0.00 C ATOM 122 O CYS A 9 8.194 -19.509 -18.213 1.00 0.00 O ATOM 123 CB CYS A 9 9.932 -18.157 -20.093 1.00 0.00 C ATOM 124 SG CYS A 9 8.582 -17.250 -20.928 1.00 0.00 S ATOM 0 H CYS A 9 11.399 -19.573 -18.766 1.00 0.00 H new ATOM 0 HA CYS A 9 10.238 -16.992 -18.305 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.879 -17.819 -20.514 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.833 -19.215 -20.338 1.00 0.00 H new ATOM 129 N PRO A 10 8.090 -17.565 -17.109 1.00 0.00 N ATOM 130 CA PRO A 10 6.841 -17.888 -16.400 1.00 0.00 C ATOM 131 C PRO A 10 5.668 -18.155 -17.348 1.00 0.00 C ATOM 132 O PRO A 10 4.689 -18.798 -16.967 1.00 0.00 O ATOM 133 CB PRO A 10 6.563 -16.626 -15.569 1.00 0.00 C ATOM 134 CG PRO A 10 7.886 -15.950 -15.458 1.00 0.00 C ATOM 135 CD PRO A 10 8.593 -16.227 -16.750 1.00 0.00 C ATOM 0 HA PRO A 10 6.944 -18.799 -15.811 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.829 -15.984 -16.057 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.163 -16.878 -14.587 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.766 -14.878 -15.299 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.453 -16.336 -14.611 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.352 -15.485 -17.511 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.676 -16.220 -16.629 1.00 0.00 H new ATOM 143 N ILE A 11 5.771 -17.659 -18.573 1.00 0.00 N ATOM 144 CA ILE A 11 4.727 -17.861 -19.572 1.00 0.00 C ATOM 145 C ILE A 11 4.611 -19.336 -19.980 1.00 0.00 C ATOM 146 O ILE A 11 3.511 -19.891 -20.044 1.00 0.00 O ATOM 147 CB ILE A 11 4.957 -16.971 -20.823 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.797 -15.497 -20.441 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.976 -17.338 -21.941 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.194 -14.531 -21.530 1.00 0.00 C ATOM 0 H ILE A 11 6.568 -17.113 -18.901 1.00 0.00 H new ATOM 0 HA ILE A 11 3.786 -17.563 -19.110 1.00 0.00 H new ATOM 0 HB ILE A 11 5.969 -17.141 -21.192 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.757 -15.314 -20.169 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.398 -15.295 -19.554 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.156 -16.701 -22.807 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.118 -18.381 -22.222 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.954 -17.193 -21.591 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.051 -13.509 -21.180 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.242 -14.683 -21.787 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.576 -14.702 -22.411 1.00 0.00 H new ATOM 162 N CYS A 12 5.750 -19.973 -20.219 1.00 0.00 N ATOM 163 CA CYS A 12 5.759 -21.356 -20.671 1.00 0.00 C ATOM 164 C CYS A 12 6.171 -22.305 -19.556 1.00 0.00 C ATOM 165 O CYS A 12 5.827 -23.491 -19.571 1.00 0.00 O ATOM 166 CB CYS A 12 6.682 -21.509 -21.882 1.00 0.00 C ATOM 167 SG CYS A 12 8.360 -20.830 -21.649 1.00 0.00 S ATOM 0 H CYS A 12 6.674 -19.556 -20.108 1.00 0.00 H new ATOM 0 HA CYS A 12 4.744 -21.621 -20.966 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.764 -22.568 -22.129 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.221 -21.017 -22.738 1.00 0.00 H new ATOM 172 N LEU A 13 6.899 -21.765 -18.587 1.00 0.00 N ATOM 173 CA LEU A 13 7.431 -22.509 -17.451 1.00 0.00 C ATOM 174 C LEU A 13 8.408 -23.595 -17.891 1.00 0.00 C ATOM 175 O LEU A 13 8.661 -24.543 -17.162 1.00 0.00 O ATOM 176 CB LEU A 13 6.298 -23.098 -16.594 1.00 0.00 C ATOM 177 CG LEU A 13 5.395 -22.083 -15.883 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.248 -22.790 -15.188 1.00 0.00 C ATOM 179 CD2 LEU A 13 6.196 -21.262 -14.885 1.00 0.00 C ATOM 0 H LEU A 13 7.142 -20.775 -18.568 1.00 0.00 H new ATOM 0 HA LEU A 13 7.988 -21.803 -16.835 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.675 -23.724 -17.232 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.740 -23.751 -15.841 1.00 0.00 H new ATOM 0 HG LEU A 13 4.982 -21.407 -16.632 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.617 -22.055 -14.688 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.657 -23.335 -15.924 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.644 -23.489 -14.451 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.538 -20.547 -14.391 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.638 -21.924 -14.140 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.987 -20.725 -15.408 1.00 0.00 H new ATOM 191 N MET A 14 8.981 -23.435 -19.070 1.00 0.00 N ATOM 192 CA MET A 14 9.984 -24.371 -19.545 1.00 0.00 C ATOM 193 C MET A 14 11.368 -23.857 -19.211 1.00 0.00 C ATOM 194 O MET A 14 12.087 -24.449 -18.413 1.00 0.00 O ATOM 195 CB MET A 14 9.882 -24.594 -21.059 1.00 0.00 C ATOM 196 CG MET A 14 8.608 -25.275 -21.528 1.00 0.00 C ATOM 197 SD MET A 14 8.630 -25.604 -23.306 1.00 0.00 S ATOM 198 CE MET A 14 8.618 -23.935 -23.972 1.00 0.00 C ATOM 0 H MET A 14 8.771 -22.671 -19.713 1.00 0.00 H new ATOM 0 HA MET A 14 9.806 -25.324 -19.046 1.00 0.00 H new ATOM 0 HB2 MET A 14 9.964 -23.629 -21.559 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.734 -25.193 -21.380 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.478 -26.213 -20.988 1.00 0.00 H new ATOM 0 HG3 MET A 14 7.751 -24.646 -21.286 1.00 0.00 H new ATOM 0 HE1 MET A 14 7.752 -23.809 -24.621 1.00 0.00 H new ATOM 0 HE2 MET A 14 8.566 -23.217 -23.154 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.529 -23.766 -24.546 1.00 0.00 H new ATOM 208 N ALA A 15 11.714 -22.734 -19.814 1.00 0.00 N ATOM 209 CA ALA A 15 13.019 -22.116 -19.671 1.00 0.00 C ATOM 210 C ALA A 15 12.978 -20.801 -20.406 1.00 0.00 C ATOM 211 O ALA A 15 11.922 -20.414 -20.892 1.00 0.00 O ATOM 212 CB ALA A 15 14.089 -23.006 -20.294 1.00 0.00 C ATOM 0 H ALA A 15 11.084 -22.217 -20.428 1.00 0.00 H new ATOM 0 HA ALA A 15 13.257 -21.971 -18.617 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.065 -22.534 -20.182 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.094 -23.974 -19.793 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.874 -23.147 -21.353 1.00 0.00 H new ATOM 218 N LEU A 16 14.096 -20.115 -20.483 1.00 0.00 N ATOM 219 CA LEU A 16 14.191 -18.955 -21.338 1.00 0.00 C ATOM 220 C LEU A 16 14.813 -19.384 -22.647 1.00 0.00 C ATOM 221 O LEU A 16 15.946 -19.861 -22.675 1.00 0.00 O ATOM 222 CB LEU A 16 15.050 -17.845 -20.703 1.00 0.00 C ATOM 223 CG LEU A 16 14.557 -17.246 -19.384 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.525 -16.196 -18.886 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.184 -16.639 -19.553 1.00 0.00 C ATOM 0 H LEU A 16 14.947 -20.339 -19.967 1.00 0.00 H new ATOM 0 HA LEU A 16 13.191 -18.549 -21.491 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.051 -18.245 -20.539 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.145 -17.036 -21.427 1.00 0.00 H new ATOM 0 HG LEU A 16 14.496 -18.049 -18.649 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.159 -15.780 -17.947 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.503 -16.650 -18.725 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.611 -15.400 -19.626 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.852 -16.219 -18.603 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.225 -15.850 -20.304 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.483 -17.409 -19.874 1.00 0.00 H new ATOM 237 N ARG A 17 14.060 -19.257 -23.715 1.00 0.00 N ATOM 238 CA ARG A 17 14.546 -19.589 -25.045 1.00 0.00 C ATOM 239 C ARG A 17 15.662 -18.647 -25.492 1.00 0.00 C ATOM 240 O ARG A 17 16.685 -19.083 -26.019 1.00 0.00 O ATOM 241 CB ARG A 17 13.383 -19.541 -26.034 1.00 0.00 C ATOM 242 CG ARG A 17 13.752 -19.829 -27.478 1.00 0.00 C ATOM 243 CD ARG A 17 14.217 -21.246 -27.698 1.00 0.00 C ATOM 244 NE ARG A 17 14.543 -21.470 -29.106 1.00 0.00 N ATOM 245 CZ ARG A 17 14.675 -22.665 -29.676 1.00 0.00 C ATOM 246 NH1 ARG A 17 14.499 -23.772 -28.959 1.00 0.00 N ATOM 247 NH2 ARG A 17 14.973 -22.749 -30.963 1.00 0.00 N ATOM 0 H ARG A 17 13.097 -18.923 -23.693 1.00 0.00 H new ATOM 0 HA ARG A 17 14.965 -20.595 -25.015 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.628 -20.261 -25.718 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.924 -18.554 -25.983 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.888 -19.634 -28.113 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.539 -19.142 -27.790 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.092 -21.447 -27.080 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.439 -21.942 -27.384 1.00 0.00 H new ATOM 0 HE ARG A 17 14.679 -20.649 -29.695 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.262 -23.706 -27.969 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.601 -24.686 -29.399 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.100 -21.900 -31.513 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.075 -23.663 -31.404 1.00 0.00 H new ATOM 261 N GLU A 18 15.465 -17.359 -25.267 1.00 0.00 N ATOM 262 CA GLU A 18 16.436 -16.362 -25.710 1.00 0.00 C ATOM 263 C GLU A 18 16.763 -15.364 -24.613 1.00 0.00 C ATOM 264 O GLU A 18 17.746 -14.637 -24.709 1.00 0.00 O ATOM 265 CB GLU A 18 15.923 -15.640 -26.959 1.00 0.00 C ATOM 266 CG GLU A 18 15.784 -16.557 -28.163 1.00 0.00 C ATOM 267 CD GLU A 18 15.256 -15.858 -29.383 1.00 0.00 C ATOM 268 OE1 GLU A 18 15.979 -15.019 -29.952 1.00 0.00 O ATOM 269 OE2 GLU A 18 14.108 -16.153 -29.796 1.00 0.00 O ATOM 0 H GLU A 18 14.651 -16.977 -24.785 1.00 0.00 H new ATOM 0 HA GLU A 18 17.359 -16.887 -25.957 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.955 -15.190 -26.739 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.604 -14.826 -27.206 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.756 -16.992 -28.394 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.118 -17.382 -27.908 1.00 0.00 H new ATOM 276 N ALA A 19 15.922 -15.345 -23.575 1.00 0.00 N ATOM 277 CA ALA A 19 16.086 -14.464 -22.417 1.00 0.00 C ATOM 278 C ALA A 19 16.081 -12.981 -22.786 1.00 0.00 C ATOM 279 O ALA A 19 17.132 -12.372 -22.986 1.00 0.00 O ATOM 280 CB ALA A 19 17.330 -14.820 -21.606 1.00 0.00 C ATOM 0 H ALA A 19 15.101 -15.947 -23.515 1.00 0.00 H new ATOM 0 HA ALA A 19 15.211 -14.634 -21.790 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.416 -14.143 -20.756 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.249 -15.846 -21.247 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.214 -14.725 -22.236 1.00 0.00 H new ATOM 286 N VAL A 20 14.899 -12.409 -22.887 1.00 0.00 N ATOM 287 CA VAL A 20 14.773 -10.986 -23.130 1.00 0.00 C ATOM 288 C VAL A 20 14.302 -10.263 -21.887 1.00 0.00 C ATOM 289 O VAL A 20 13.232 -10.559 -21.339 1.00 0.00 O ATOM 290 CB VAL A 20 13.901 -10.618 -24.363 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.596 -11.042 -25.646 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.511 -11.236 -24.278 1.00 0.00 C ATOM 0 H VAL A 20 14.012 -12.907 -22.805 1.00 0.00 H new ATOM 0 HA VAL A 20 15.777 -10.644 -23.381 1.00 0.00 H new ATOM 0 HB VAL A 20 13.776 -9.535 -24.368 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.974 -10.778 -26.501 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.556 -10.533 -25.725 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.757 -12.120 -25.633 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.933 -10.955 -25.159 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.598 -12.322 -24.232 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.006 -10.874 -23.382 1.00 0.00 H new ATOM 302 N GLN A 21 15.139 -9.371 -21.420 1.00 0.00 N ATOM 303 CA GLN A 21 14.871 -8.571 -20.253 1.00 0.00 C ATOM 304 C GLN A 21 13.929 -7.434 -20.630 1.00 0.00 C ATOM 305 O GLN A 21 14.115 -6.773 -21.662 1.00 0.00 O ATOM 306 CB GLN A 21 16.197 -7.995 -19.722 1.00 0.00 C ATOM 307 CG GLN A 21 16.093 -7.176 -18.438 1.00 0.00 C ATOM 308 CD GLN A 21 15.798 -8.004 -17.202 1.00 0.00 C ATOM 309 OE1 GLN A 21 15.165 -9.037 -17.266 1.00 0.00 O ATOM 310 NE2 GLN A 21 16.272 -7.552 -16.070 1.00 0.00 N ATOM 0 H GLN A 21 16.044 -9.177 -21.850 1.00 0.00 H new ATOM 0 HA GLN A 21 14.406 -9.183 -19.480 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.888 -8.820 -19.550 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.636 -7.367 -20.497 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.028 -6.636 -18.287 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.309 -6.429 -18.558 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.800 -6.680 -16.050 1.00 0.00 H new ATOM 0 HE22 GLN A 21 16.113 -8.072 -15.207 1.00 0.00 H new ATOM 319 N THR A 22 12.912 -7.237 -19.827 1.00 0.00 N ATOM 320 CA THR A 22 12.011 -6.127 -19.997 1.00 0.00 C ATOM 321 C THR A 22 12.572 -4.917 -19.243 1.00 0.00 C ATOM 322 O THR A 22 13.393 -5.088 -18.342 1.00 0.00 O ATOM 323 CB THR A 22 10.612 -6.481 -19.437 1.00 0.00 C ATOM 324 OG1 THR A 22 10.702 -6.731 -18.025 1.00 0.00 O ATOM 325 CG2 THR A 22 10.049 -7.716 -20.128 1.00 0.00 C ATOM 0 H THR A 22 12.687 -7.843 -19.038 1.00 0.00 H new ATOM 0 HA THR A 22 11.915 -5.898 -21.058 1.00 0.00 H new ATOM 0 HB THR A 22 9.947 -5.638 -19.623 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.401 -5.939 -17.533 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.065 -7.946 -19.718 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.961 -7.526 -21.198 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.717 -8.561 -19.963 1.00 0.00 H new ATOM 333 N PRO A 23 12.139 -3.683 -19.574 1.00 0.00 N ATOM 334 CA PRO A 23 12.613 -2.469 -18.885 1.00 0.00 C ATOM 335 C PRO A 23 12.245 -2.458 -17.391 1.00 0.00 C ATOM 336 O PRO A 23 12.886 -1.781 -16.587 1.00 0.00 O ATOM 337 CB PRO A 23 11.896 -1.334 -19.629 1.00 0.00 C ATOM 338 CG PRO A 23 10.719 -1.989 -20.260 1.00 0.00 C ATOM 339 CD PRO A 23 11.187 -3.357 -20.650 1.00 0.00 C ATOM 0 HA PRO A 23 13.700 -2.388 -18.905 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.591 -0.542 -18.945 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.545 -0.877 -20.377 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.881 -2.044 -19.566 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.377 -1.428 -21.130 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.364 -4.071 -20.695 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.665 -3.359 -21.630 1.00 0.00 H new ATOM 347 N CYS A 24 11.206 -3.202 -17.032 1.00 0.00 N ATOM 348 CA CYS A 24 10.812 -3.338 -15.642 1.00 0.00 C ATOM 349 C CYS A 24 11.681 -4.373 -14.907 1.00 0.00 C ATOM 350 O CYS A 24 11.700 -4.426 -13.677 1.00 0.00 O ATOM 351 CB CYS A 24 9.324 -3.673 -15.549 1.00 0.00 C ATOM 352 SG CYS A 24 8.725 -4.773 -16.873 1.00 0.00 S ATOM 0 H CYS A 24 10.622 -3.720 -17.689 1.00 0.00 H new ATOM 0 HA CYS A 24 10.976 -2.384 -15.141 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.128 -4.142 -14.585 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.751 -2.746 -15.575 1.00 0.00 H new ATOM 357 N GLY A 25 12.393 -5.190 -15.668 1.00 0.00 N ATOM 358 CA GLY A 25 13.319 -6.129 -15.078 1.00 0.00 C ATOM 359 C GLY A 25 12.773 -7.534 -14.940 1.00 0.00 C ATOM 360 O GLY A 25 12.791 -8.102 -13.846 1.00 0.00 O ATOM 0 H GLY A 25 12.345 -5.218 -16.686 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.224 -6.161 -15.685 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.609 -5.765 -14.092 1.00 0.00 H new ATOM 364 N HIS A 26 12.259 -8.092 -16.025 1.00 0.00 N ATOM 365 CA HIS A 26 11.804 -9.488 -16.041 1.00 0.00 C ATOM 366 C HIS A 26 12.316 -10.143 -17.311 1.00 0.00 C ATOM 367 O HIS A 26 12.327 -9.505 -18.359 1.00 0.00 O ATOM 368 CB HIS A 26 10.270 -9.584 -16.053 1.00 0.00 C ATOM 369 CG HIS A 26 9.560 -8.684 -15.104 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.016 -7.476 -15.309 1.00 0.00 N flip ATOM 371 CD2 HIS A 26 9.339 -8.979 -13.779 1.00 0.00 C flip ATOM 372 CE1 HIS A 26 8.474 -7.054 -14.132 1.00 0.00 C flip ATOM 373 NE2 HIS A 26 8.680 -7.981 -13.215 1.00 0.00 N flip ATOM 0 H HIS A 26 12.143 -7.604 -16.913 1.00 0.00 H new ATOM 0 HA HIS A 26 12.181 -9.979 -15.144 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.919 -9.368 -17.062 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.987 -10.613 -15.830 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.009 -6.963 -16.191 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.654 -9.883 -13.278 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.961 -6.117 -13.975 1.00 0.00 H new ATOM 380 N ARG A 27 12.736 -11.390 -17.234 1.00 0.00 N ATOM 381 CA ARG A 27 13.159 -12.090 -18.434 1.00 0.00 C ATOM 382 C ARG A 27 12.129 -13.108 -18.881 1.00 0.00 C ATOM 383 O ARG A 27 11.615 -13.891 -18.079 1.00 0.00 O ATOM 384 CB ARG A 27 14.531 -12.754 -18.285 1.00 0.00 C ATOM 385 CG ARG A 27 15.692 -11.792 -18.161 1.00 0.00 C ATOM 386 CD ARG A 27 17.016 -12.528 -18.056 1.00 0.00 C ATOM 387 NE ARG A 27 18.148 -11.608 -17.933 1.00 0.00 N ATOM 388 CZ ARG A 27 19.422 -11.917 -18.206 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.745 -13.131 -18.649 1.00 0.00 N ATOM 390 NH2 ARG A 27 20.364 -11.010 -18.050 1.00 0.00 N ATOM 0 H ARG A 27 12.794 -11.932 -16.372 1.00 0.00 H new ATOM 0 HA ARG A 27 13.251 -11.325 -19.205 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.514 -13.396 -17.405 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.702 -13.399 -19.147 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.711 -11.129 -19.026 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.553 -11.164 -17.281 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.994 -13.192 -17.192 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.153 -13.155 -18.937 1.00 0.00 H new ATOM 0 HE ARG A 27 17.951 -10.659 -17.615 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.019 -13.835 -18.783 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.718 -13.357 -18.854 1.00 0.00 H new ATOM 0 HH21 ARG A 27 20.122 -10.075 -17.722 1.00 0.00 H new ATOM 0 HH22 ARG A 27 21.335 -11.243 -18.257 1.00 0.00 H new ATOM 404 N PHE A 28 11.844 -13.087 -20.164 1.00 0.00 N ATOM 405 CA PHE A 28 10.931 -14.016 -20.801 1.00 0.00 C ATOM 406 C PHE A 28 11.559 -14.509 -22.093 1.00 0.00 C ATOM 407 O PHE A 28 12.601 -13.989 -22.518 1.00 0.00 O ATOM 408 CB PHE A 28 9.591 -13.341 -21.131 1.00 0.00 C ATOM 409 CG PHE A 28 8.802 -12.849 -19.948 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.944 -13.695 -19.270 1.00 0.00 C ATOM 411 CD2 PHE A 28 8.913 -11.536 -19.522 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.209 -13.243 -18.188 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.181 -11.077 -18.445 1.00 0.00 C ATOM 414 CZ PHE A 28 7.328 -11.931 -17.776 1.00 0.00 C ATOM 0 H PHE A 28 12.249 -12.409 -20.810 1.00 0.00 H new ATOM 0 HA PHE A 28 10.744 -14.843 -20.116 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.783 -12.497 -21.793 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.975 -14.048 -21.687 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.846 -14.722 -19.589 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.581 -10.862 -20.039 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.544 -13.915 -17.667 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.276 -10.050 -18.126 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.755 -11.574 -16.933 1.00 0.00 H new ATOM 424 N CYS A 29 10.975 -15.523 -22.701 1.00 0.00 N ATOM 425 CA CYS A 29 11.406 -15.925 -24.025 1.00 0.00 C ATOM 426 C CYS A 29 11.007 -14.852 -25.022 1.00 0.00 C ATOM 427 O CYS A 29 9.970 -14.205 -24.865 1.00 0.00 O ATOM 428 CB CYS A 29 10.768 -17.241 -24.433 1.00 0.00 C ATOM 429 SG CYS A 29 11.061 -18.614 -23.287 1.00 0.00 S ATOM 0 H CYS A 29 10.213 -16.076 -22.307 1.00 0.00 H new ATOM 0 HA CYS A 29 12.488 -16.055 -24.012 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.693 -17.092 -24.532 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.143 -17.521 -25.417 1.00 0.00 H new ATOM 434 N LYS A 30 11.798 -14.703 -26.060 1.00 0.00 N ATOM 435 CA LYS A 30 11.632 -13.631 -27.027 1.00 0.00 C ATOM 436 C LYS A 30 10.407 -13.867 -27.917 1.00 0.00 C ATOM 437 O LYS A 30 10.016 -13.014 -28.695 1.00 0.00 O ATOM 438 CB LYS A 30 12.911 -13.481 -27.857 1.00 0.00 C ATOM 439 CG LYS A 30 12.930 -12.302 -28.812 1.00 0.00 C ATOM 440 CD LYS A 30 14.264 -12.208 -29.516 1.00 0.00 C ATOM 441 CE LYS A 30 14.314 -11.030 -30.464 1.00 0.00 C ATOM 442 NZ LYS A 30 15.623 -10.926 -31.142 1.00 0.00 N ATOM 0 H LYS A 30 12.581 -15.324 -26.262 1.00 0.00 H new ATOM 0 HA LYS A 30 11.456 -12.699 -26.490 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.757 -13.390 -27.176 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.061 -14.395 -28.431 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.132 -12.409 -29.547 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.736 -11.380 -28.264 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.060 -12.115 -28.777 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.449 -13.129 -30.069 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.525 -11.130 -31.210 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.116 -10.111 -29.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.618 -10.107 -31.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.373 -10.805 -30.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.800 -11.793 -31.689 1.00 0.00 H new ATOM 456 N ALA A 31 9.793 -15.019 -27.781 1.00 0.00 N ATOM 457 CA ALA A 31 8.621 -15.330 -28.564 1.00 0.00 C ATOM 458 C ALA A 31 7.406 -15.452 -27.665 1.00 0.00 C ATOM 459 O ALA A 31 6.299 -15.064 -28.052 1.00 0.00 O ATOM 460 CB ALA A 31 8.836 -16.615 -29.341 1.00 0.00 C ATOM 0 H ALA A 31 10.085 -15.754 -27.137 1.00 0.00 H new ATOM 0 HA ALA A 31 8.448 -14.520 -29.273 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.945 -16.839 -29.928 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.690 -16.498 -30.008 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.028 -17.433 -28.646 1.00 0.00 H new ATOM 466 N CYS A 32 7.613 -15.954 -26.446 1.00 0.00 N ATOM 467 CA CYS A 32 6.518 -16.092 -25.507 1.00 0.00 C ATOM 468 C CYS A 32 5.979 -14.733 -25.099 1.00 0.00 C ATOM 469 O CYS A 32 4.773 -14.510 -25.115 1.00 0.00 O ATOM 470 CB CYS A 32 6.972 -16.857 -24.265 1.00 0.00 C ATOM 471 SG CYS A 32 7.711 -18.490 -24.600 1.00 0.00 S ATOM 0 H CYS A 32 8.519 -16.266 -26.097 1.00 0.00 H new ATOM 0 HA CYS A 32 5.723 -16.650 -26.001 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.699 -16.249 -23.726 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.115 -16.990 -23.604 1.00 0.00 H new ATOM 476 N ILE A 33 6.875 -13.812 -24.757 1.00 0.00 N ATOM 477 CA ILE A 33 6.448 -12.500 -24.301 1.00 0.00 C ATOM 478 C ILE A 33 5.815 -11.681 -25.425 1.00 0.00 C ATOM 479 O ILE A 33 4.797 -11.027 -25.222 1.00 0.00 O ATOM 480 CB ILE A 33 7.573 -11.703 -23.582 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.014 -10.447 -22.909 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.707 -11.345 -24.532 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.012 -10.732 -21.809 1.00 0.00 C ATOM 0 H ILE A 33 7.885 -13.949 -24.787 1.00 0.00 H new ATOM 0 HA ILE A 33 5.678 -12.686 -23.552 1.00 0.00 H new ATOM 0 HB ILE A 33 7.984 -12.352 -22.809 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.841 -9.871 -22.493 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.540 -9.822 -23.666 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.473 -10.789 -23.991 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.141 -12.258 -24.940 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.320 -10.732 -25.346 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.663 -9.792 -21.382 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.165 -11.280 -22.222 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.486 -11.330 -21.031 1.00 0.00 H new ATOM 495 N ILE A 34 6.394 -11.751 -26.622 1.00 0.00 N ATOM 496 CA ILE A 34 5.862 -11.008 -27.751 1.00 0.00 C ATOM 497 C ILE A 34 4.455 -11.483 -28.103 1.00 0.00 C ATOM 498 O ILE A 34 3.551 -10.678 -28.294 1.00 0.00 O ATOM 499 CB ILE A 34 6.802 -11.012 -28.991 1.00 0.00 C ATOM 500 CG1 ILE A 34 8.078 -10.215 -28.679 1.00 0.00 C ATOM 501 CG2 ILE A 34 6.103 -10.434 -30.218 1.00 0.00 C ATOM 502 CD1 ILE A 34 9.132 -10.268 -29.768 1.00 0.00 C ATOM 0 H ILE A 34 7.222 -12.309 -26.829 1.00 0.00 H new ATOM 0 HA ILE A 34 5.801 -9.967 -27.435 1.00 0.00 H new ATOM 0 HB ILE A 34 7.068 -12.045 -29.216 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.807 -9.174 -28.503 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.511 -10.593 -27.753 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.786 -10.451 -31.067 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.221 -11.031 -30.450 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.802 -9.406 -30.015 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.998 -9.679 -29.465 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.435 -11.302 -29.931 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.721 -9.861 -30.692 1.00 0.00 H new ATOM 514 N LYS A 35 4.255 -12.792 -28.117 1.00 0.00 N ATOM 515 CA LYS A 35 2.943 -13.350 -28.433 1.00 0.00 C ATOM 516 C LYS A 35 2.017 -13.318 -27.217 1.00 0.00 C ATOM 517 O LYS A 35 0.893 -13.809 -27.265 1.00 0.00 O ATOM 518 CB LYS A 35 3.041 -14.776 -28.996 1.00 0.00 C ATOM 519 CG LYS A 35 3.769 -14.892 -30.332 1.00 0.00 C ATOM 520 CD LYS A 35 3.044 -14.118 -31.431 1.00 0.00 C ATOM 521 CE LYS A 35 3.746 -14.250 -32.776 1.00 0.00 C ATOM 522 NZ LYS A 35 3.660 -15.628 -33.323 1.00 0.00 N ATOM 0 H LYS A 35 4.976 -13.485 -27.916 1.00 0.00 H new ATOM 0 HA LYS A 35 2.514 -12.718 -29.210 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.550 -15.405 -28.266 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.033 -15.175 -29.112 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.786 -14.513 -30.228 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.848 -15.942 -30.615 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.021 -14.484 -31.518 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.984 -13.065 -31.155 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.302 -13.551 -33.485 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.794 -13.970 -32.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.030 -15.640 -34.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.222 -16.272 -32.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.667 -15.939 -33.327 1.00 0.00 H new ATOM 536 N SER A 36 2.487 -12.732 -26.137 1.00 0.00 N ATOM 537 CA SER A 36 1.668 -12.564 -24.965 1.00 0.00 C ATOM 538 C SER A 36 1.238 -11.094 -24.853 1.00 0.00 C ATOM 539 O SER A 36 0.185 -10.790 -24.296 1.00 0.00 O ATOM 540 CB SER A 36 2.432 -13.012 -23.703 1.00 0.00 C ATOM 541 OG SER A 36 1.584 -13.091 -22.568 1.00 0.00 O ATOM 0 H SER A 36 3.435 -12.365 -26.050 1.00 0.00 H new ATOM 0 HA SER A 36 0.778 -13.188 -25.053 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.889 -13.985 -23.882 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.242 -12.311 -23.502 1.00 0.00 H new ATOM 0 HG SER A 36 2.105 -13.379 -21.790 1.00 0.00 H new ATOM 547 N ILE A 37 2.020 -10.184 -25.445 1.00 0.00 N ATOM 548 CA ILE A 37 1.709 -8.760 -25.337 1.00 0.00 C ATOM 549 C ILE A 37 1.082 -8.190 -26.602 1.00 0.00 C ATOM 550 O ILE A 37 0.427 -7.160 -26.555 1.00 0.00 O ATOM 551 CB ILE A 37 2.933 -7.901 -24.937 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.067 -8.038 -25.963 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.408 -8.275 -23.538 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.238 -7.116 -25.716 1.00 0.00 C ATOM 0 H ILE A 37 2.853 -10.403 -25.991 1.00 0.00 H new ATOM 0 HA ILE A 37 0.974 -8.704 -24.534 1.00 0.00 H new ATOM 0 HB ILE A 37 2.628 -6.855 -24.927 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.423 -9.068 -25.960 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.668 -7.842 -26.958 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.269 -7.663 -23.270 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.604 -8.103 -22.823 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.691 -9.327 -23.519 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.995 -7.275 -26.484 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.899 -6.081 -25.750 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.666 -7.326 -24.736 1.00 0.00 H new ATOM 566 N ARG A 38 1.264 -8.853 -27.728 1.00 0.00 N ATOM 567 CA ARG A 38 0.612 -8.391 -28.945 1.00 0.00 C ATOM 568 C ARG A 38 -0.641 -9.211 -29.223 1.00 0.00 C ATOM 569 O ARG A 38 -1.303 -9.031 -30.238 1.00 0.00 O ATOM 570 CB ARG A 38 1.567 -8.391 -30.152 1.00 0.00 C ATOM 571 CG ARG A 38 1.977 -9.766 -30.657 1.00 0.00 C ATOM 572 CD ARG A 38 2.966 -9.650 -31.806 1.00 0.00 C ATOM 573 NE ARG A 38 2.386 -8.997 -32.980 1.00 0.00 N ATOM 574 CZ ARG A 38 3.092 -8.496 -33.999 1.00 0.00 C ATOM 575 NH1 ARG A 38 4.420 -8.578 -34.005 1.00 0.00 N ATOM 576 NH2 ARG A 38 2.466 -7.917 -35.013 1.00 0.00 N ATOM 0 H ARG A 38 1.839 -9.689 -27.829 1.00 0.00 H new ATOM 0 HA ARG A 38 0.314 -7.354 -28.787 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.092 -7.848 -30.970 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.467 -7.838 -29.882 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.424 -10.338 -29.844 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.095 -10.315 -30.986 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.838 -9.087 -31.475 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.315 -10.645 -32.083 1.00 0.00 H new ATOM 0 HE ARG A 38 1.370 -8.918 -33.024 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.907 -9.026 -33.228 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.951 -8.193 -34.786 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.448 -7.854 -35.015 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.002 -7.534 -35.792 1.00 0.00 H new ATOM 590 N ASP A 39 -0.963 -10.110 -28.306 1.00 0.00 N ATOM 591 CA ASP A 39 -2.123 -10.982 -28.478 1.00 0.00 C ATOM 592 C ASP A 39 -3.048 -10.948 -27.267 1.00 0.00 C ATOM 593 O ASP A 39 -4.241 -10.681 -27.404 1.00 0.00 O ATOM 594 CB ASP A 39 -1.699 -12.422 -28.784 1.00 0.00 C ATOM 595 CG ASP A 39 -2.885 -13.350 -28.985 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.556 -13.252 -30.034 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.153 -14.182 -28.097 1.00 0.00 O ATOM 0 H ASP A 39 -0.444 -10.257 -27.440 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.679 -10.597 -29.333 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.079 -12.432 -29.680 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.083 -12.797 -27.966 1.00 0.00 H new ATOM 602 N ALA A 40 -2.500 -11.217 -26.084 1.00 0.00 N ATOM 603 CA ALA A 40 -3.300 -11.232 -24.862 1.00 0.00 C ATOM 604 C ALA A 40 -3.490 -9.826 -24.314 1.00 0.00 C ATOM 605 O ALA A 40 -4.598 -9.293 -24.320 1.00 0.00 O ATOM 606 CB ALA A 40 -2.666 -12.139 -23.813 1.00 0.00 C ATOM 0 H ALA A 40 -1.511 -11.426 -25.946 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.284 -11.631 -25.110 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.278 -12.135 -22.911 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.600 -13.155 -24.203 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.666 -11.776 -23.574 1.00 0.00 H new ATOM 612 N GLY A 41 -2.411 -9.230 -23.861 1.00 0.00 N ATOM 613 CA GLY A 41 -2.466 -7.887 -23.339 1.00 0.00 C ATOM 614 C GLY A 41 -1.133 -7.226 -23.471 1.00 0.00 C ATOM 615 O GLY A 41 -0.116 -7.875 -23.297 1.00 0.00 O ATOM 0 H GLY A 41 -1.484 -9.656 -23.844 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.220 -7.311 -23.876 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.767 -7.908 -22.292 1.00 0.00 H new ATOM 619 N HIS A 42 -1.126 -5.936 -23.738 1.00 0.00 N ATOM 620 CA HIS A 42 0.105 -5.225 -24.077 1.00 0.00 C ATOM 621 C HIS A 42 0.863 -4.794 -22.812 1.00 0.00 C ATOM 622 O HIS A 42 1.438 -3.703 -22.739 1.00 0.00 O ATOM 623 CB HIS A 42 -0.225 -4.019 -24.963 1.00 0.00 C ATOM 624 CG HIS A 42 0.946 -3.496 -25.734 1.00 0.00 C ATOM 625 ND1 HIS A 42 1.292 -2.163 -25.779 1.00 0.00 N ATOM 626 CD2 HIS A 42 1.843 -4.142 -26.519 1.00 0.00 C ATOM 627 CE1 HIS A 42 2.347 -2.016 -26.562 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.696 -3.201 -27.018 1.00 0.00 N ATOM 0 H HIS A 42 -1.960 -5.350 -23.728 1.00 0.00 H new ATOM 0 HA HIS A 42 0.759 -5.899 -24.630 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -1.013 -4.299 -25.663 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -0.623 -3.219 -24.338 1.00 0.00 H new ATOM 0 HD2 HIS A 42 1.876 -5.204 -26.713 1.00 0.00 H new ATOM 0 HE1 HIS A 42 2.839 -1.082 -26.789 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.479 -3.386 -27.645 1.00 0.00 H new ATOM 637 N LYS A 43 0.886 -5.671 -21.845 1.00 0.00 N ATOM 638 CA LYS A 43 1.544 -5.444 -20.588 1.00 0.00 C ATOM 639 C LYS A 43 2.187 -6.739 -20.122 1.00 0.00 C ATOM 640 O LYS A 43 1.720 -7.824 -20.489 1.00 0.00 O ATOM 641 CB LYS A 43 0.534 -4.942 -19.540 1.00 0.00 C ATOM 642 CG LYS A 43 -0.548 -5.948 -19.174 1.00 0.00 C ATOM 643 CD LYS A 43 -1.462 -5.426 -18.073 1.00 0.00 C ATOM 644 CE LYS A 43 -2.267 -4.222 -18.528 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.213 -3.768 -17.485 1.00 0.00 N ATOM 0 H LYS A 43 0.437 -6.584 -21.912 1.00 0.00 H new ATOM 0 HA LYS A 43 2.313 -4.682 -20.713 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.076 -4.665 -18.636 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.058 -4.037 -19.917 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.141 -6.180 -20.058 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.083 -6.879 -18.849 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.141 -6.219 -17.759 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.864 -5.155 -17.203 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.590 -3.407 -18.784 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.818 -4.474 -19.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.744 -2.944 -17.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.876 -4.537 -17.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.685 -3.503 -16.629 1.00 0.00 H new ATOM 659 N CYS A 44 3.244 -6.646 -19.341 1.00 0.00 N ATOM 660 CA CYS A 44 3.866 -7.827 -18.802 1.00 0.00 C ATOM 661 C CYS A 44 2.949 -8.457 -17.750 1.00 0.00 C ATOM 662 O CYS A 44 2.574 -7.806 -16.775 1.00 0.00 O ATOM 663 CB CYS A 44 5.260 -7.503 -18.248 1.00 0.00 C ATOM 664 SG CYS A 44 5.417 -5.852 -17.488 1.00 0.00 S ATOM 0 H CYS A 44 3.685 -5.767 -19.069 1.00 0.00 H new ATOM 0 HA CYS A 44 4.011 -8.559 -19.597 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.524 -8.256 -17.505 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.985 -7.585 -19.057 1.00 0.00 H new ATOM 669 N PRO A 45 2.593 -9.737 -17.934 1.00 0.00 N ATOM 670 CA PRO A 45 1.559 -10.408 -17.127 1.00 0.00 C ATOM 671 C PRO A 45 1.896 -10.508 -15.641 1.00 0.00 C ATOM 672 O PRO A 45 1.004 -10.633 -14.802 1.00 0.00 O ATOM 673 CB PRO A 45 1.469 -11.808 -17.759 1.00 0.00 C ATOM 674 CG PRO A 45 2.779 -11.996 -18.443 1.00 0.00 C ATOM 675 CD PRO A 45 3.160 -10.641 -18.954 1.00 0.00 C ATOM 0 HA PRO A 45 0.625 -9.846 -17.143 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.303 -12.575 -17.002 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.641 -11.872 -18.464 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.530 -12.381 -17.754 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.697 -12.714 -19.259 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.241 -10.529 -19.038 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.742 -10.449 -19.942 1.00 0.00 H new ATOM 683 N VAL A 46 3.173 -10.467 -15.319 1.00 0.00 N ATOM 684 CA VAL A 46 3.598 -10.598 -13.941 1.00 0.00 C ATOM 685 C VAL A 46 3.284 -9.351 -13.088 1.00 0.00 C ATOM 686 O VAL A 46 2.693 -9.470 -12.018 1.00 0.00 O ATOM 687 CB VAL A 46 5.093 -11.009 -13.812 1.00 0.00 C ATOM 688 CG1 VAL A 46 5.300 -12.414 -14.361 1.00 0.00 C ATOM 689 CG2 VAL A 46 6.002 -10.032 -14.544 1.00 0.00 C ATOM 0 H VAL A 46 3.931 -10.345 -15.990 1.00 0.00 H new ATOM 0 HA VAL A 46 3.001 -11.414 -13.534 1.00 0.00 H new ATOM 0 HB VAL A 46 5.354 -10.990 -12.754 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.350 -12.691 -14.266 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.686 -13.118 -13.799 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.012 -12.440 -15.412 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.039 -10.348 -14.434 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.739 -10.013 -15.602 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.880 -9.035 -14.121 1.00 0.00 H new ATOM 699 N ASP A 47 3.653 -8.172 -13.572 1.00 0.00 N ATOM 700 CA ASP A 47 3.477 -6.938 -12.798 1.00 0.00 C ATOM 701 C ASP A 47 2.494 -5.961 -13.440 1.00 0.00 C ATOM 702 O ASP A 47 2.314 -4.848 -12.947 1.00 0.00 O ATOM 703 CB ASP A 47 4.831 -6.247 -12.545 1.00 0.00 C ATOM 704 CG ASP A 47 5.603 -5.955 -13.814 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.571 -6.756 -14.756 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.286 -4.923 -13.904 1.00 0.00 O ATOM 0 H ASP A 47 4.074 -8.038 -14.491 1.00 0.00 H new ATOM 0 HA ASP A 47 3.045 -7.239 -11.844 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.660 -5.313 -12.010 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.438 -6.879 -11.897 1.00 0.00 H new ATOM 711 N ASN A 48 1.851 -6.388 -14.520 1.00 0.00 N ATOM 712 CA ASN A 48 0.798 -5.610 -15.207 1.00 0.00 C ATOM 713 C ASN A 48 1.282 -4.241 -15.700 1.00 0.00 C ATOM 714 O ASN A 48 0.506 -3.281 -15.752 1.00 0.00 O ATOM 715 CB ASN A 48 -0.429 -5.432 -14.299 1.00 0.00 C ATOM 716 CG ASN A 48 -1.193 -6.718 -14.064 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.265 -7.587 -14.934 1.00 0.00 O ATOM 718 ND2 ASN A 48 -1.778 -6.849 -12.890 1.00 0.00 N ATOM 0 H ASN A 48 2.039 -7.291 -14.956 1.00 0.00 H new ATOM 0 HA ASN A 48 0.523 -6.189 -16.088 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.106 -5.029 -13.339 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.098 -4.696 -14.745 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.312 -7.692 -12.678 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.696 -6.108 -12.194 1.00 0.00 H new ATOM 725 N GLU A 49 2.533 -4.158 -16.101 1.00 0.00 N ATOM 726 CA GLU A 49 3.091 -2.903 -16.603 1.00 0.00 C ATOM 727 C GLU A 49 3.123 -2.905 -18.122 1.00 0.00 C ATOM 728 O GLU A 49 3.355 -3.935 -18.734 1.00 0.00 O ATOM 729 CB GLU A 49 4.489 -2.663 -16.032 1.00 0.00 C ATOM 730 CG GLU A 49 4.498 -2.384 -14.540 1.00 0.00 C ATOM 731 CD GLU A 49 3.810 -1.083 -14.190 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.284 -0.016 -14.633 1.00 0.00 O ATOM 733 OE2 GLU A 49 2.800 -1.102 -13.469 1.00 0.00 O ATOM 0 H GLU A 49 3.189 -4.939 -16.092 1.00 0.00 H new ATOM 0 HA GLU A 49 2.448 -2.087 -16.274 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.109 -3.537 -16.233 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.945 -1.821 -16.553 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.005 -3.204 -14.017 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.528 -2.353 -14.186 1.00 0.00 H new ATOM 740 N ILE A 50 2.891 -1.750 -18.721 1.00 0.00 N ATOM 741 CA ILE A 50 2.818 -1.641 -20.169 1.00 0.00 C ATOM 742 C ILE A 50 4.163 -1.945 -20.796 1.00 0.00 C ATOM 743 O ILE A 50 5.172 -1.305 -20.495 1.00 0.00 O ATOM 744 CB ILE A 50 2.316 -0.242 -20.615 1.00 0.00 C ATOM 745 CG1 ILE A 50 0.892 0.000 -20.101 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.383 -0.079 -22.132 1.00 0.00 C ATOM 747 CD1 ILE A 50 -0.127 -1.001 -20.614 1.00 0.00 C ATOM 0 H ILE A 50 2.749 -0.870 -18.225 1.00 0.00 H new ATOM 0 HA ILE A 50 2.094 -2.378 -20.516 1.00 0.00 H new ATOM 0 HB ILE A 50 2.977 0.507 -20.179 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.900 -0.031 -19.011 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.578 1.003 -20.389 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.024 0.912 -22.408 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.414 -0.197 -22.465 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.759 -0.836 -22.607 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.109 -0.762 -20.206 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.166 -0.955 -21.702 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.161 -2.005 -20.303 1.00 0.00 H new ATOM 759 N LEU A 51 4.171 -2.933 -21.653 1.00 0.00 N ATOM 760 CA LEU A 51 5.384 -3.409 -22.239 1.00 0.00 C ATOM 761 C LEU A 51 5.377 -3.162 -23.736 1.00 0.00 C ATOM 762 O LEU A 51 4.425 -3.519 -24.431 1.00 0.00 O ATOM 763 CB LEU A 51 5.551 -4.895 -21.926 1.00 0.00 C ATOM 764 CG LEU A 51 6.860 -5.545 -22.363 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.044 -4.882 -21.677 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.831 -7.024 -22.040 1.00 0.00 C ATOM 0 H LEU A 51 3.333 -3.426 -21.960 1.00 0.00 H new ATOM 0 HA LEU A 51 6.230 -2.867 -21.817 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.447 -5.030 -20.849 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.729 -5.436 -22.395 1.00 0.00 H new ATOM 0 HG LEU A 51 6.972 -5.415 -23.439 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.968 -5.360 -22.002 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.071 -3.824 -21.939 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.943 -4.985 -20.597 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.768 -7.483 -22.354 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.703 -7.159 -20.966 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.001 -7.495 -22.567 1.00 0.00 H new ATOM 778 N LEU A 52 6.426 -2.533 -24.216 1.00 0.00 N ATOM 779 CA LEU A 52 6.581 -2.256 -25.628 1.00 0.00 C ATOM 780 C LEU A 52 7.568 -3.257 -26.210 1.00 0.00 C ATOM 781 O LEU A 52 8.580 -3.564 -25.577 1.00 0.00 O ATOM 782 CB LEU A 52 7.096 -0.818 -25.870 1.00 0.00 C ATOM 783 CG LEU A 52 6.260 0.363 -25.321 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.803 0.266 -25.729 1.00 0.00 C ATOM 785 CD2 LEU A 52 6.411 0.532 -23.810 1.00 0.00 C ATOM 0 H LEU A 52 7.197 -2.198 -23.638 1.00 0.00 H new ATOM 0 HA LEU A 52 5.609 -2.345 -26.113 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.095 -0.746 -25.440 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.201 -0.679 -26.946 1.00 0.00 H new ATOM 0 HG LEU A 52 6.665 1.265 -25.780 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.254 1.115 -25.322 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.728 0.273 -26.816 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.378 -0.660 -25.342 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.804 1.374 -23.476 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.079 -0.377 -23.307 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.457 0.720 -23.568 1.00 0.00 H new ATOM 797 N GLU A 53 7.275 -3.756 -27.396 1.00 0.00 N ATOM 798 CA GLU A 53 8.072 -4.801 -28.032 1.00 0.00 C ATOM 799 C GLU A 53 9.525 -4.360 -28.253 1.00 0.00 C ATOM 800 O GLU A 53 10.453 -5.160 -28.111 1.00 0.00 O ATOM 801 CB GLU A 53 7.446 -5.254 -29.374 1.00 0.00 C ATOM 802 CG GLU A 53 6.037 -5.862 -29.282 1.00 0.00 C ATOM 803 CD GLU A 53 4.912 -4.831 -29.296 1.00 0.00 C ATOM 804 OE1 GLU A 53 4.827 -3.994 -28.368 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.099 -4.852 -30.238 1.00 0.00 O ATOM 0 H GLU A 53 6.476 -3.450 -27.951 1.00 0.00 H new ATOM 0 HA GLU A 53 8.076 -5.648 -27.346 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.408 -4.395 -30.044 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.109 -5.987 -29.833 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.895 -6.551 -30.115 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.965 -6.450 -28.367 1.00 0.00 H new ATOM 812 N ASN A 54 9.721 -3.092 -28.588 1.00 0.00 N ATOM 813 CA ASN A 54 11.069 -2.554 -28.836 1.00 0.00 C ATOM 814 C ASN A 54 11.869 -2.420 -27.538 1.00 0.00 C ATOM 815 O ASN A 54 13.095 -2.308 -27.561 1.00 0.00 O ATOM 816 CB ASN A 54 11.000 -1.186 -29.537 1.00 0.00 C ATOM 817 CG ASN A 54 10.518 -0.068 -28.626 1.00 0.00 C ATOM 818 OD1 ASN A 54 11.447 0.654 -28.034 1.00 0.00 O flip ATOM 819 ND2 ASN A 54 9.313 0.150 -28.468 1.00 0.00 N flip ATOM 0 H ASN A 54 8.970 -2.410 -28.696 1.00 0.00 H new ATOM 0 HA ASN A 54 11.578 -3.264 -29.488 1.00 0.00 H new ATOM 0 HB2 ASN A 54 11.988 -0.932 -29.921 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.333 -1.259 -30.396 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.623 -0.431 -28.944 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.008 0.911 -27.862 1.00 0.00 H new ATOM 826 N GLN A 55 11.174 -2.436 -26.414 1.00 0.00 N ATOM 827 CA GLN A 55 11.804 -2.256 -25.113 1.00 0.00 C ATOM 828 C GLN A 55 12.431 -3.545 -24.604 1.00 0.00 C ATOM 829 O GLN A 55 13.133 -3.545 -23.596 1.00 0.00 O ATOM 830 CB GLN A 55 10.812 -1.684 -24.098 1.00 0.00 C ATOM 831 CG GLN A 55 10.377 -0.257 -24.400 1.00 0.00 C ATOM 832 CD GLN A 55 11.516 0.735 -24.273 1.00 0.00 C ATOM 833 OE1 GLN A 55 11.669 1.307 -23.099 1.00 0.00 O flip ATOM 834 NE2 GLN A 55 12.244 0.989 -25.230 1.00 0.00 N flip ATOM 0 H GLN A 55 10.164 -2.573 -26.374 1.00 0.00 H new ATOM 0 HA GLN A 55 12.611 -1.535 -25.240 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.930 -2.324 -24.066 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.263 -1.714 -23.106 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.970 -0.211 -25.410 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.574 0.027 -23.719 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.092 0.523 -26.124 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.001 1.666 -25.130 1.00 0.00 H new ATOM 843 N LEU A 56 12.159 -4.637 -25.294 1.00 0.00 N ATOM 844 CA LEU A 56 12.719 -5.929 -24.932 1.00 0.00 C ATOM 845 C LEU A 56 14.177 -6.004 -25.365 1.00 0.00 C ATOM 846 O LEU A 56 14.510 -5.661 -26.507 1.00 0.00 O ATOM 847 CB LEU A 56 11.930 -7.043 -25.619 1.00 0.00 C ATOM 848 CG LEU A 56 10.447 -7.122 -25.278 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.779 -8.221 -26.080 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.259 -7.358 -23.793 1.00 0.00 C ATOM 0 H LEU A 56 11.551 -4.656 -26.113 1.00 0.00 H new ATOM 0 HA LEU A 56 12.657 -6.051 -23.851 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.028 -6.918 -26.697 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.392 -7.997 -25.365 1.00 0.00 H new ATOM 0 HG LEU A 56 9.979 -6.172 -25.538 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.720 -8.265 -25.825 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.888 -8.012 -27.144 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.248 -9.177 -25.848 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.194 -7.412 -23.565 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.739 -8.295 -23.510 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.708 -6.537 -23.234 1.00 0.00 H new ATOM 862 N PHE A 57 15.039 -6.457 -24.477 1.00 0.00 N ATOM 863 CA PHE A 57 16.445 -6.581 -24.794 1.00 0.00 C ATOM 864 C PHE A 57 17.056 -7.838 -24.180 1.00 0.00 C ATOM 865 O PHE A 57 16.931 -8.085 -22.985 1.00 0.00 O ATOM 866 CB PHE A 57 17.233 -5.307 -24.401 1.00 0.00 C ATOM 867 CG PHE A 57 17.154 -4.916 -22.942 1.00 0.00 C ATOM 868 CD1 PHE A 57 16.074 -4.192 -22.459 1.00 0.00 C ATOM 869 CD2 PHE A 57 18.165 -5.263 -22.063 1.00 0.00 C ATOM 870 CE1 PHE A 57 16.004 -3.825 -21.129 1.00 0.00 C ATOM 871 CE2 PHE A 57 18.099 -4.899 -20.731 1.00 0.00 C ATOM 872 CZ PHE A 57 17.017 -4.182 -20.265 1.00 0.00 C ATOM 0 H PHE A 57 14.789 -6.745 -23.531 1.00 0.00 H new ATOM 0 HA PHE A 57 16.523 -6.686 -25.876 1.00 0.00 H new ATOM 0 HB2 PHE A 57 18.281 -5.454 -24.664 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.867 -4.475 -25.002 1.00 0.00 H new ATOM 0 HD1 PHE A 57 15.277 -3.911 -23.132 1.00 0.00 H new ATOM 0 HD2 PHE A 57 19.015 -5.824 -22.422 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.158 -3.260 -20.767 1.00 0.00 H new ATOM 0 HE2 PHE A 57 18.895 -5.176 -20.055 1.00 0.00 H new ATOM 0 HZ PHE A 57 16.963 -3.900 -19.224 1.00 0.00 H new ATOM 882 N PRO A 58 17.716 -8.655 -25.002 1.00 0.00 N ATOM 883 CA PRO A 58 18.396 -9.873 -24.546 1.00 0.00 C ATOM 884 C PRO A 58 19.662 -9.542 -23.759 1.00 0.00 C ATOM 885 O PRO A 58 20.073 -8.379 -23.697 1.00 0.00 O ATOM 886 CB PRO A 58 18.743 -10.587 -25.852 1.00 0.00 C ATOM 887 CG PRO A 58 18.888 -9.488 -26.841 1.00 0.00 C ATOM 888 CD PRO A 58 17.871 -8.454 -26.456 1.00 0.00 C ATOM 0 HA PRO A 58 17.783 -10.473 -23.874 1.00 0.00 H new ATOM 0 HB2 PRO A 58 19.664 -11.163 -25.759 1.00 0.00 H new ATOM 0 HB3 PRO A 58 17.959 -11.285 -26.145 1.00 0.00 H new ATOM 0 HG2 PRO A 58 19.896 -9.073 -26.819 1.00 0.00 H new ATOM 0 HG3 PRO A 58 18.714 -9.849 -27.855 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.214 -7.446 -26.688 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.929 -8.600 -26.985 1.00 0.00 H new ATOM 896 N ASP A 59 20.268 -10.541 -23.142 1.00 0.00 N ATOM 897 CA ASP A 59 21.491 -10.304 -22.387 1.00 0.00 C ATOM 898 C ASP A 59 22.641 -10.116 -23.353 1.00 0.00 C ATOM 899 O ASP A 59 22.960 -11.016 -24.139 1.00 0.00 O ATOM 900 CB ASP A 59 21.801 -11.475 -21.436 1.00 0.00 C ATOM 901 CG ASP A 59 22.945 -11.180 -20.465 1.00 0.00 C ATOM 902 OD1 ASP A 59 24.088 -10.960 -20.905 1.00 0.00 O ATOM 903 OD2 ASP A 59 22.704 -11.166 -19.238 1.00 0.00 O ATOM 0 H ASP A 59 19.943 -11.508 -23.146 1.00 0.00 H new ATOM 0 HA ASP A 59 21.355 -9.408 -21.782 1.00 0.00 H new ATOM 0 HB2 ASP A 59 20.904 -11.718 -20.866 1.00 0.00 H new ATOM 0 HB3 ASP A 59 22.053 -12.356 -22.026 1.00 0.00 H new ATOM 908 N ASN A 60 23.235 -8.940 -23.326 1.00 0.00 N ATOM 909 CA ASN A 60 24.378 -8.662 -24.164 1.00 0.00 C ATOM 910 C ASN A 60 25.635 -9.113 -23.453 1.00 0.00 C ATOM 911 O ASN A 60 26.171 -8.407 -22.576 1.00 0.00 O ATOM 912 CB ASN A 60 24.457 -7.170 -24.510 1.00 0.00 C ATOM 913 CG ASN A 60 25.614 -6.832 -25.438 1.00 0.00 C ATOM 914 OD1 ASN A 60 26.060 -7.662 -26.231 1.00 0.00 O ATOM 915 ND2 ASN A 60 26.098 -5.606 -25.353 1.00 0.00 N ATOM 0 H ASN A 60 22.943 -8.163 -22.732 1.00 0.00 H new ATOM 0 HA ASN A 60 24.275 -9.210 -25.101 1.00 0.00 H new ATOM 0 HB2 ASN A 60 23.522 -6.862 -24.978 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.558 -6.595 -23.590 1.00 0.00 H new ATOM 0 HD21 ASN A 60 26.868 -5.319 -25.957 1.00 0.00 H new ATOM 0 HD22 ASN A 60 25.702 -4.947 -24.683 1.00 0.00 H new ATOM 922 N PHE A 61 26.077 -10.300 -23.797 1.00 0.00 N ATOM 923 CA PHE A 61 27.231 -10.914 -23.185 1.00 0.00 C ATOM 924 C PHE A 61 28.489 -10.139 -23.546 1.00 0.00 C ATOM 925 O PHE A 61 29.385 -9.967 -22.714 1.00 0.00 O ATOM 926 CB PHE A 61 27.347 -12.372 -23.630 1.00 0.00 C ATOM 927 CG PHE A 61 26.208 -13.237 -23.157 1.00 0.00 C ATOM 928 CD1 PHE A 61 26.173 -13.711 -21.858 1.00 0.00 C ATOM 929 CD2 PHE A 61 25.171 -13.572 -24.015 1.00 0.00 C ATOM 930 CE1 PHE A 61 25.127 -14.500 -21.421 1.00 0.00 C ATOM 931 CE2 PHE A 61 24.123 -14.360 -23.584 1.00 0.00 C ATOM 932 CZ PHE A 61 24.103 -14.825 -22.286 1.00 0.00 C ATOM 0 H PHE A 61 25.640 -10.873 -24.519 1.00 0.00 H new ATOM 0 HA PHE A 61 27.113 -10.893 -22.102 1.00 0.00 H new ATOM 0 HB2 PHE A 61 27.393 -12.409 -24.718 1.00 0.00 H new ATOM 0 HB3 PHE A 61 28.285 -12.784 -23.257 1.00 0.00 H new ATOM 0 HD1 PHE A 61 26.973 -13.461 -21.177 1.00 0.00 H new ATOM 0 HD2 PHE A 61 25.184 -13.212 -25.033 1.00 0.00 H new ATOM 0 HE1 PHE A 61 25.111 -14.862 -20.404 1.00 0.00 H new ATOM 0 HE2 PHE A 61 23.321 -14.612 -24.262 1.00 0.00 H new ATOM 0 HZ PHE A 61 23.285 -15.444 -21.947 1.00 0.00 H new ATOM 942 N ALA A 62 28.534 -9.676 -24.793 1.00 0.00 N ATOM 943 CA ALA A 62 29.623 -8.850 -25.319 1.00 0.00 C ATOM 944 C ALA A 62 29.327 -8.485 -26.763 1.00 0.00 C ATOM 945 O ALA A 62 29.365 -7.313 -27.150 1.00 0.00 O ATOM 946 CB ALA A 62 30.966 -9.574 -25.240 1.00 0.00 C ATOM 0 H ALA A 62 27.804 -9.866 -25.479 1.00 0.00 H new ATOM 0 HA ALA A 62 29.690 -7.949 -24.709 1.00 0.00 H new ATOM 0 HB1 ALA A 62 31.750 -8.931 -25.639 1.00 0.00 H new ATOM 0 HB2 ALA A 62 31.189 -9.815 -24.201 1.00 0.00 H new ATOM 0 HB3 ALA A 62 30.919 -10.493 -25.824 1.00 0.00 H new ATOM 952 N LYS A 63 29.024 -9.501 -27.542 1.00 0.00 N ATOM 953 CA LYS A 63 28.755 -9.375 -28.958 1.00 0.00 C ATOM 954 C LYS A 63 28.043 -10.625 -29.442 1.00 0.00 C ATOM 955 O LYS A 63 28.679 -11.695 -29.476 1.00 0.00 O ATOM 956 CB LYS A 63 30.063 -9.168 -29.736 1.00 0.00 C ATOM 957 CG LYS A 63 29.887 -9.079 -31.241 1.00 0.00 C ATOM 958 CD LYS A 63 31.214 -8.853 -31.941 1.00 0.00 C ATOM 959 CE LYS A 63 31.046 -8.816 -33.449 1.00 0.00 C ATOM 960 NZ LYS A 63 30.126 -7.740 -33.882 1.00 0.00 N ATOM 961 OXT LYS A 63 26.856 -10.550 -29.771 1.00 0.00 O ATOM 0 H LYS A 63 28.956 -10.460 -27.200 1.00 0.00 H new ATOM 0 HA LYS A 63 28.119 -8.507 -29.130 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.541 -8.254 -29.383 1.00 0.00 H new ATOM 0 HB3 LYS A 63 30.741 -9.991 -29.509 1.00 0.00 H new ATOM 0 HG2 LYS A 63 29.431 -9.997 -31.610 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.204 -8.265 -31.481 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.652 -7.915 -31.599 1.00 0.00 H new ATOM 0 HD3 LYS A 63 31.910 -9.647 -31.670 1.00 0.00 H new ATOM 0 HE2 LYS A 63 32.019 -8.670 -33.918 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.666 -9.778 -33.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.196 -7.617 -34.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.150 -7.995 -33.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.385 -6.851 -33.409 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 8.838 -18.940 -22.711 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.781 -5.564 -15.696 1.00 0.00 ZN