USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=9 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 21 GLN : amide:sc= 0.0361 K(o=1.2,f=-0.74) USER MOD Set 1.2: A 60 ASN : amide:sc= 1.12 K(o=1.2,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 150:sc= 1.3 (180deg=0.577) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 101:sc= 2.02 USER MOD Single : A 26 HIS : no HE2:sc= 0.239 K(o=0.24,f=-3.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.139) USER MOD Single : A 36 SER OG : rot 68:sc= 1.29 USER MOD Single : A 42 HIS : no HD1:sc= 1.16 K(o=1.2,f=-4.2!) USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0344) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -2.47 K(o=-2.5,f=-4.1!) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= -0.0334 (180deg=-0.235) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.573 -17.545 -5.426 1.00 0.00 N ATOM 2 CA GLY A 1 12.948 -18.600 -6.394 1.00 0.00 C ATOM 3 C GLY A 1 12.434 -18.293 -7.795 1.00 0.00 C ATOM 4 O GLY A 1 13.154 -17.685 -8.601 1.00 0.00 O ATOM 0 H1 GLY A 1 12.941 -17.791 -4.485 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.977 -16.636 -5.729 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.537 -17.466 -5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.033 -18.701 -6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.547 -19.557 -6.062 1.00 0.00 H new ATOM 10 N PRO A 2 11.187 -18.716 -8.123 1.00 0.00 N ATOM 11 CA PRO A 2 10.548 -18.427 -9.424 1.00 0.00 C ATOM 12 C PRO A 2 10.394 -16.928 -9.689 1.00 0.00 C ATOM 13 O PRO A 2 10.183 -16.141 -8.758 1.00 0.00 O ATOM 14 CB PRO A 2 9.160 -19.066 -9.290 1.00 0.00 C ATOM 15 CG PRO A 2 9.324 -20.103 -8.240 1.00 0.00 C ATOM 16 CD PRO A 2 10.311 -19.538 -7.266 1.00 0.00 C ATOM 0 HA PRO A 2 11.145 -18.810 -10.252 1.00 0.00 H new ATOM 0 HB2 PRO A 2 8.410 -18.328 -9.005 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.833 -19.505 -10.233 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.374 -20.321 -7.753 1.00 0.00 H new ATOM 0 HG3 PRO A 2 9.686 -21.039 -8.666 1.00 0.00 H new ATOM 0 HD2 PRO A 2 9.822 -18.940 -6.497 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.868 -20.323 -6.754 1.00 0.00 H new ATOM 24 N LEU A 3 10.495 -16.557 -10.965 1.00 0.00 N ATOM 25 CA LEU A 3 10.385 -15.175 -11.424 1.00 0.00 C ATOM 26 C LEU A 3 11.380 -14.262 -10.702 1.00 0.00 C ATOM 27 O LEU A 3 11.002 -13.405 -9.894 1.00 0.00 O ATOM 28 CB LEU A 3 8.938 -14.662 -11.290 1.00 0.00 C ATOM 29 CG LEU A 3 8.642 -13.256 -11.827 1.00 0.00 C ATOM 30 CD1 LEU A 3 8.766 -13.214 -13.339 1.00 0.00 C ATOM 31 CD2 LEU A 3 7.267 -12.806 -11.384 1.00 0.00 C ATOM 0 H LEU A 3 10.659 -17.221 -11.721 1.00 0.00 H new ATOM 0 HA LEU A 3 10.644 -15.154 -12.482 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.281 -15.365 -11.802 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.668 -14.685 -10.234 1.00 0.00 H new ATOM 0 HG LEU A 3 9.380 -12.567 -11.416 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.551 -12.206 -13.694 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.779 -13.492 -13.629 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.057 -13.913 -13.782 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.069 -11.807 -11.772 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.517 -13.499 -11.766 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.223 -12.788 -10.295 1.00 0.00 H new ATOM 43 N GLY A 4 12.650 -14.471 -10.983 1.00 0.00 N ATOM 44 CA GLY A 4 13.687 -13.679 -10.375 1.00 0.00 C ATOM 45 C GLY A 4 14.983 -14.436 -10.263 1.00 0.00 C ATOM 46 O GLY A 4 15.830 -14.363 -11.152 1.00 0.00 O ATOM 0 H GLY A 4 12.984 -15.185 -11.630 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.845 -12.775 -10.964 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.366 -13.361 -9.383 1.00 0.00 H new ATOM 50 N SER A 5 15.126 -15.178 -9.179 1.00 0.00 N ATOM 51 CA SER A 5 16.329 -15.947 -8.894 1.00 0.00 C ATOM 52 C SER A 5 16.552 -17.019 -9.969 1.00 0.00 C ATOM 53 O SER A 5 17.676 -17.252 -10.417 1.00 0.00 O ATOM 54 CB SER A 5 16.217 -16.595 -7.504 1.00 0.00 C ATOM 55 OG SER A 5 17.402 -17.274 -7.155 1.00 0.00 O ATOM 0 H SER A 5 14.404 -15.266 -8.464 1.00 0.00 H new ATOM 0 HA SER A 5 17.186 -15.274 -8.903 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.003 -15.828 -6.760 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.380 -17.293 -7.493 1.00 0.00 H new ATOM 0 HG SER A 5 17.300 -17.674 -6.266 1.00 0.00 H new ATOM 61 N LYS A 6 15.475 -17.666 -10.363 1.00 0.00 N ATOM 62 CA LYS A 6 15.536 -18.709 -11.362 1.00 0.00 C ATOM 63 C LYS A 6 15.445 -18.054 -12.726 1.00 0.00 C ATOM 64 O LYS A 6 14.488 -17.321 -12.996 1.00 0.00 O ATOM 65 CB LYS A 6 14.345 -19.671 -11.136 1.00 0.00 C ATOM 66 CG LYS A 6 14.261 -20.916 -12.038 1.00 0.00 C ATOM 67 CD LYS A 6 15.432 -21.877 -11.815 1.00 0.00 C ATOM 68 CE LYS A 6 15.160 -23.274 -12.408 1.00 0.00 C ATOM 69 NZ LYS A 6 14.865 -23.263 -13.858 1.00 0.00 N ATOM 0 H LYS A 6 14.539 -17.484 -10.002 1.00 0.00 H new ATOM 0 HA LYS A 6 16.465 -19.276 -11.295 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.375 -20.007 -10.100 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.424 -19.102 -11.260 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.324 -21.438 -11.846 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.244 -20.604 -13.082 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.332 -21.461 -12.267 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.626 -21.969 -10.746 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.027 -23.909 -12.229 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.320 -23.725 -11.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.185 -24.156 -14.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.841 -23.157 -14.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.362 -22.468 -14.307 1.00 0.00 H new ATOM 83 N TYR A 7 16.436 -18.281 -13.576 1.00 0.00 N ATOM 84 CA TYR A 7 16.365 -17.765 -14.921 1.00 0.00 C ATOM 85 C TYR A 7 15.481 -18.680 -15.725 1.00 0.00 C ATOM 86 O TYR A 7 15.895 -19.765 -16.138 1.00 0.00 O ATOM 87 CB TYR A 7 17.751 -17.658 -15.563 1.00 0.00 C ATOM 88 CG TYR A 7 18.678 -16.641 -14.926 1.00 0.00 C ATOM 89 CD1 TYR A 7 18.607 -15.302 -15.274 1.00 0.00 C ATOM 90 CD2 TYR A 7 19.633 -17.021 -13.999 1.00 0.00 C ATOM 91 CE1 TYR A 7 19.461 -14.372 -14.712 1.00 0.00 C ATOM 92 CE2 TYR A 7 20.491 -16.104 -13.435 1.00 0.00 C ATOM 93 CZ TYR A 7 20.403 -14.782 -13.795 1.00 0.00 C ATOM 94 OH TYR A 7 21.260 -13.861 -13.234 1.00 0.00 O ATOM 0 H TYR A 7 17.281 -18.810 -13.358 1.00 0.00 H new ATOM 0 HA TYR A 7 15.952 -16.757 -14.897 1.00 0.00 H new ATOM 0 HB2 TYR A 7 18.229 -18.637 -15.524 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.628 -17.405 -16.616 1.00 0.00 H new ATOM 0 HD1 TYR A 7 17.872 -14.979 -15.997 1.00 0.00 H new ATOM 0 HD2 TYR A 7 19.707 -18.060 -13.712 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.390 -13.331 -14.990 1.00 0.00 H new ATOM 0 HE2 TYR A 7 21.229 -16.423 -12.714 1.00 0.00 H new ATOM 0 HH TYR A 7 21.862 -14.314 -12.607 1.00 0.00 H new ATOM 104 N GLU A 8 14.255 -18.263 -15.915 1.00 0.00 N ATOM 105 CA GLU A 8 13.254 -19.117 -16.493 1.00 0.00 C ATOM 106 C GLU A 8 12.070 -18.283 -16.936 1.00 0.00 C ATOM 107 O GLU A 8 11.651 -17.370 -16.221 1.00 0.00 O ATOM 108 CB GLU A 8 12.829 -20.125 -15.432 1.00 0.00 C ATOM 109 CG GLU A 8 11.882 -21.202 -15.891 1.00 0.00 C ATOM 110 CD GLU A 8 11.533 -22.095 -14.745 1.00 0.00 C ATOM 111 OE1 GLU A 8 10.628 -21.744 -13.970 1.00 0.00 O ATOM 112 OE2 GLU A 8 12.195 -23.138 -14.576 1.00 0.00 O ATOM 0 H GLU A 8 13.926 -17.328 -15.675 1.00 0.00 H new ATOM 0 HA GLU A 8 13.648 -19.640 -17.365 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.724 -20.601 -15.032 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.361 -19.583 -14.610 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.978 -20.752 -16.301 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.340 -21.784 -16.691 1.00 0.00 H new ATOM 119 N CYS A 9 11.562 -18.574 -18.117 1.00 0.00 N ATOM 120 CA CYS A 9 10.391 -17.915 -18.630 1.00 0.00 C ATOM 121 C CYS A 9 9.157 -18.469 -17.927 1.00 0.00 C ATOM 122 O CYS A 9 8.834 -19.656 -18.067 1.00 0.00 O ATOM 123 CB CYS A 9 10.297 -18.148 -20.134 1.00 0.00 C ATOM 124 SG CYS A 9 8.843 -17.437 -20.964 1.00 0.00 S ATOM 0 H CYS A 9 11.955 -19.276 -18.744 1.00 0.00 H new ATOM 0 HA CYS A 9 10.454 -16.843 -18.445 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.193 -17.739 -20.601 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.305 -19.223 -20.316 1.00 0.00 H new ATOM 129 N PRO A 10 8.461 -17.633 -17.146 1.00 0.00 N ATOM 130 CA PRO A 10 7.304 -18.073 -16.378 1.00 0.00 C ATOM 131 C PRO A 10 6.115 -18.473 -17.254 1.00 0.00 C ATOM 132 O PRO A 10 5.207 -19.158 -16.799 1.00 0.00 O ATOM 133 CB PRO A 10 6.957 -16.849 -15.520 1.00 0.00 C ATOM 134 CG PRO A 10 7.525 -15.697 -16.267 1.00 0.00 C ATOM 135 CD PRO A 10 8.764 -16.207 -16.932 1.00 0.00 C ATOM 0 HA PRO A 10 7.528 -18.970 -15.800 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.879 -16.747 -15.392 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.390 -16.928 -14.523 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.814 -15.320 -17.003 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.755 -14.871 -15.594 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.960 -15.690 -17.872 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.644 -16.071 -16.304 1.00 0.00 H new ATOM 143 N ILE A 11 6.106 -18.020 -18.500 1.00 0.00 N ATOM 144 CA ILE A 11 5.049 -18.392 -19.428 1.00 0.00 C ATOM 145 C ILE A 11 5.105 -19.879 -19.801 1.00 0.00 C ATOM 146 O ILE A 11 4.083 -20.568 -19.805 1.00 0.00 O ATOM 147 CB ILE A 11 5.046 -17.496 -20.694 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.656 -16.061 -20.299 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.087 -18.049 -21.750 1.00 0.00 C ATOM 150 CD1 ILE A 11 4.802 -15.048 -21.412 1.00 0.00 C ATOM 0 H ILE A 11 6.815 -17.398 -18.889 1.00 0.00 H new ATOM 0 HA ILE A 11 4.107 -18.224 -18.906 1.00 0.00 H new ATOM 0 HB ILE A 11 6.045 -17.489 -21.129 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.622 -16.060 -19.956 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.272 -15.748 -19.456 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.102 -17.404 -22.629 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.398 -19.055 -22.033 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.077 -18.083 -21.342 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.507 -14.064 -21.049 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.841 -15.017 -21.742 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.164 -15.333 -22.249 1.00 0.00 H new ATOM 162 N CYS A 12 6.300 -20.375 -20.083 1.00 0.00 N ATOM 163 CA CYS A 12 6.446 -21.737 -20.548 1.00 0.00 C ATOM 164 C CYS A 12 6.884 -22.684 -19.432 1.00 0.00 C ATOM 165 O CYS A 12 6.636 -23.888 -19.508 1.00 0.00 O ATOM 166 CB CYS A 12 7.432 -21.790 -21.716 1.00 0.00 C ATOM 167 SG CYS A 12 9.045 -21.016 -21.366 1.00 0.00 S ATOM 0 H CYS A 12 7.174 -19.856 -19.998 1.00 0.00 H new ATOM 0 HA CYS A 12 5.467 -22.075 -20.888 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.594 -22.832 -21.994 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.984 -21.296 -22.578 1.00 0.00 H new ATOM 172 N LEU A 13 7.546 -22.131 -18.398 1.00 0.00 N ATOM 173 CA LEU A 13 8.098 -22.914 -17.277 1.00 0.00 C ATOM 174 C LEU A 13 9.214 -23.844 -17.759 1.00 0.00 C ATOM 175 O LEU A 13 9.542 -24.839 -17.109 1.00 0.00 O ATOM 176 CB LEU A 13 7.014 -23.734 -16.524 1.00 0.00 C ATOM 177 CG LEU A 13 6.007 -22.967 -15.654 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.967 -22.257 -16.500 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.345 -23.897 -14.640 1.00 0.00 C ATOM 0 H LEU A 13 7.713 -21.128 -18.317 1.00 0.00 H new ATOM 0 HA LEU A 13 8.508 -22.192 -16.571 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.451 -24.303 -17.264 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.524 -24.457 -15.887 1.00 0.00 H new ATOM 0 HG LEU A 13 6.559 -22.204 -15.106 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.271 -21.725 -15.851 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.461 -21.546 -17.163 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.421 -22.989 -17.095 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.636 -23.331 -14.036 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.818 -24.693 -15.166 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.107 -24.332 -13.993 1.00 0.00 H new ATOM 191 N MET A 14 9.801 -23.504 -18.899 1.00 0.00 N ATOM 192 CA MET A 14 10.901 -24.281 -19.449 1.00 0.00 C ATOM 193 C MET A 14 12.235 -23.670 -19.063 1.00 0.00 C ATOM 194 O MET A 14 12.972 -24.221 -18.239 1.00 0.00 O ATOM 195 CB MET A 14 10.795 -24.359 -20.979 1.00 0.00 C ATOM 196 CG MET A 14 9.656 -25.217 -21.491 1.00 0.00 C ATOM 197 SD MET A 14 9.825 -26.947 -21.016 1.00 0.00 S ATOM 198 CE MET A 14 8.365 -27.634 -21.792 1.00 0.00 C ATOM 0 H MET A 14 9.533 -22.695 -19.460 1.00 0.00 H new ATOM 0 HA MET A 14 10.840 -25.288 -19.036 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.678 -23.350 -21.374 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.732 -24.749 -21.375 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.713 -24.829 -21.107 1.00 0.00 H new ATOM 0 HG3 MET A 14 9.612 -25.145 -22.578 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.317 -28.705 -21.594 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.476 -27.150 -21.387 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.411 -27.466 -22.868 1.00 0.00 H new ATOM 208 N ALA A 15 12.522 -22.525 -19.640 1.00 0.00 N ATOM 209 CA ALA A 15 13.770 -21.822 -19.449 1.00 0.00 C ATOM 210 C ALA A 15 13.669 -20.525 -20.212 1.00 0.00 C ATOM 211 O ALA A 15 12.586 -20.161 -20.651 1.00 0.00 O ATOM 212 CB ALA A 15 14.929 -22.654 -19.999 1.00 0.00 C ATOM 0 H ALA A 15 11.879 -22.046 -20.270 1.00 0.00 H new ATOM 0 HA ALA A 15 13.953 -21.641 -18.390 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.865 -22.116 -19.851 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.972 -23.609 -19.475 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.777 -22.831 -21.064 1.00 0.00 H new ATOM 218 N LEU A 16 14.762 -19.831 -20.368 1.00 0.00 N ATOM 219 CA LEU A 16 14.775 -18.656 -21.204 1.00 0.00 C ATOM 220 C LEU A 16 15.440 -19.004 -22.510 1.00 0.00 C ATOM 221 O LEU A 16 16.581 -19.463 -22.521 1.00 0.00 O ATOM 222 CB LEU A 16 15.548 -17.526 -20.520 1.00 0.00 C ATOM 223 CG LEU A 16 14.958 -16.969 -19.222 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.898 -15.934 -18.608 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.614 -16.328 -19.506 1.00 0.00 C ATOM 0 H LEU A 16 15.655 -20.055 -19.930 1.00 0.00 H new ATOM 0 HA LEU A 16 13.753 -18.321 -21.378 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.555 -17.884 -20.308 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.644 -16.704 -21.229 1.00 0.00 H new ATOM 0 HG LEU A 16 14.831 -17.790 -18.516 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.463 -15.549 -17.686 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.859 -16.400 -18.389 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.045 -15.114 -19.311 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.197 -15.932 -18.580 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.742 -15.516 -20.222 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.936 -17.074 -19.920 1.00 0.00 H new ATOM 237 N ARG A 17 14.739 -18.818 -23.612 1.00 0.00 N ATOM 238 CA ARG A 17 15.332 -19.088 -24.903 1.00 0.00 C ATOM 239 C ARG A 17 16.130 -17.885 -25.391 1.00 0.00 C ATOM 240 O ARG A 17 17.355 -17.951 -25.500 1.00 0.00 O ATOM 241 CB ARG A 17 14.275 -19.495 -25.928 1.00 0.00 C ATOM 242 CG ARG A 17 14.841 -19.834 -27.302 1.00 0.00 C ATOM 243 CD ARG A 17 15.744 -21.063 -27.241 1.00 0.00 C ATOM 244 NE ARG A 17 16.331 -21.402 -28.540 1.00 0.00 N ATOM 245 CZ ARG A 17 17.195 -22.401 -28.742 1.00 0.00 C ATOM 246 NH1 ARG A 17 17.553 -23.198 -27.728 1.00 0.00 N ATOM 247 NH2 ARG A 17 17.702 -22.605 -29.956 1.00 0.00 N ATOM 0 H ARG A 17 13.775 -18.487 -23.639 1.00 0.00 H new ATOM 0 HA ARG A 17 16.017 -19.928 -24.786 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.729 -20.359 -25.548 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.555 -18.684 -26.033 1.00 0.00 H new ATOM 0 HG2 ARG A 17 14.024 -20.015 -28.000 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.405 -18.984 -27.685 1.00 0.00 H new ATOM 0 HD2 ARG A 17 16.543 -20.885 -26.522 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.169 -21.913 -26.875 1.00 0.00 H new ATOM 0 HE ARG A 17 16.062 -20.837 -29.345 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.166 -23.044 -26.797 1.00 0.00 H new ATOM 0 HH12 ARG A 17 18.213 -23.960 -27.886 1.00 0.00 H new ATOM 0 HH21 ARG A 17 17.431 -21.999 -30.730 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.362 -23.367 -30.112 1.00 0.00 H new ATOM 261 N GLU A 18 15.437 -16.788 -25.675 1.00 0.00 N ATOM 262 CA GLU A 18 16.085 -15.549 -26.077 1.00 0.00 C ATOM 263 C GLU A 18 16.438 -14.712 -24.859 1.00 0.00 C ATOM 264 O GLU A 18 17.220 -13.777 -24.954 1.00 0.00 O ATOM 265 CB GLU A 18 15.203 -14.736 -27.034 1.00 0.00 C ATOM 266 CG GLU A 18 14.804 -15.474 -28.301 1.00 0.00 C ATOM 267 CD GLU A 18 13.601 -16.379 -28.105 1.00 0.00 C ATOM 268 OE1 GLU A 18 13.122 -16.511 -26.959 1.00 0.00 O ATOM 269 OE2 GLU A 18 13.132 -16.965 -29.091 1.00 0.00 O ATOM 0 H GLU A 18 14.419 -16.734 -25.633 1.00 0.00 H new ATOM 0 HA GLU A 18 17.001 -15.815 -26.605 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.299 -14.432 -26.506 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.733 -13.824 -27.311 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.582 -14.748 -29.083 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.648 -16.070 -28.649 1.00 0.00 H new ATOM 276 N ALA A 19 15.827 -15.068 -23.718 1.00 0.00 N ATOM 277 CA ALA A 19 16.036 -14.412 -22.416 1.00 0.00 C ATOM 278 C ALA A 19 15.845 -12.903 -22.492 1.00 0.00 C ATOM 279 O ALA A 19 16.723 -12.128 -22.091 1.00 0.00 O ATOM 280 CB ALA A 19 17.402 -14.756 -21.821 1.00 0.00 C ATOM 0 H ALA A 19 15.159 -15.837 -23.673 1.00 0.00 H new ATOM 0 HA ALA A 19 15.269 -14.805 -21.748 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.518 -14.253 -20.861 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.475 -15.834 -21.677 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.188 -14.427 -22.500 1.00 0.00 H new ATOM 286 N VAL A 20 14.689 -12.490 -22.950 1.00 0.00 N ATOM 287 CA VAL A 20 14.430 -11.091 -23.158 1.00 0.00 C ATOM 288 C VAL A 20 14.054 -10.388 -21.855 1.00 0.00 C ATOM 289 O VAL A 20 13.065 -10.739 -21.198 1.00 0.00 O ATOM 290 CB VAL A 20 13.374 -10.832 -24.270 1.00 0.00 C ATOM 291 CG1 VAL A 20 13.872 -11.361 -25.601 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.030 -11.456 -23.938 1.00 0.00 C ATOM 0 H VAL A 20 13.912 -13.107 -23.186 1.00 0.00 H new ATOM 0 HA VAL A 20 15.365 -10.657 -23.513 1.00 0.00 H new ATOM 0 HB VAL A 20 13.232 -9.753 -24.335 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.123 -11.173 -26.370 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.801 -10.857 -25.868 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.050 -12.433 -25.523 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.324 -11.249 -24.743 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.147 -12.534 -23.826 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.653 -11.033 -23.007 1.00 0.00 H new ATOM 302 N GLN A 21 14.888 -9.452 -21.455 1.00 0.00 N ATOM 303 CA GLN A 21 14.621 -8.652 -20.284 1.00 0.00 C ATOM 304 C GLN A 21 13.668 -7.526 -20.626 1.00 0.00 C ATOM 305 O GLN A 21 13.857 -6.820 -21.617 1.00 0.00 O ATOM 306 CB GLN A 21 15.905 -8.076 -19.695 1.00 0.00 C ATOM 307 CG GLN A 21 15.685 -7.277 -18.415 1.00 0.00 C ATOM 308 CD GLN A 21 16.944 -6.610 -17.910 1.00 0.00 C ATOM 309 OE1 GLN A 21 17.719 -7.198 -17.147 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.154 -5.376 -18.325 1.00 0.00 N ATOM 0 H GLN A 21 15.763 -9.227 -21.929 1.00 0.00 H new ATOM 0 HA GLN A 21 14.165 -9.302 -19.537 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.598 -8.892 -19.490 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.379 -7.434 -20.437 1.00 0.00 H new ATOM 0 HG2 GLN A 21 14.925 -6.517 -18.594 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.297 -7.940 -17.642 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.488 -4.929 -18.955 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.983 -4.868 -18.016 1.00 0.00 H new ATOM 319 N THR A 22 12.658 -7.368 -19.829 1.00 0.00 N ATOM 320 CA THR A 22 11.765 -6.261 -19.955 1.00 0.00 C ATOM 321 C THR A 22 12.379 -5.065 -19.220 1.00 0.00 C ATOM 322 O THR A 22 13.244 -5.253 -18.358 1.00 0.00 O ATOM 323 CB THR A 22 10.418 -6.620 -19.316 1.00 0.00 C ATOM 324 OG1 THR A 22 10.625 -6.902 -17.937 1.00 0.00 O ATOM 325 CG2 THR A 22 9.826 -7.853 -19.969 1.00 0.00 C ATOM 0 H THR A 22 12.429 -8.008 -19.068 1.00 0.00 H new ATOM 0 HA THR A 22 11.607 -6.017 -21.006 1.00 0.00 H new ATOM 0 HB THR A 22 9.735 -5.781 -19.447 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.360 -6.125 -17.401 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.871 -8.090 -19.500 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.672 -7.664 -21.031 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.509 -8.694 -19.846 1.00 0.00 H new ATOM 333 N PRO A 23 11.968 -3.826 -19.532 1.00 0.00 N ATOM 334 CA PRO A 23 12.487 -2.635 -18.844 1.00 0.00 C ATOM 335 C PRO A 23 12.177 -2.659 -17.342 1.00 0.00 C ATOM 336 O PRO A 23 12.881 -2.037 -16.543 1.00 0.00 O ATOM 337 CB PRO A 23 11.756 -1.478 -19.538 1.00 0.00 C ATOM 338 CG PRO A 23 10.549 -2.110 -20.137 1.00 0.00 C ATOM 339 CD PRO A 23 11.000 -3.465 -20.582 1.00 0.00 C ATOM 0 HA PRO A 23 13.573 -2.559 -18.906 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.485 -0.697 -18.828 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.381 -1.013 -20.300 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.740 -2.183 -19.410 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.172 -1.525 -20.976 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.173 -4.173 -20.635 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.461 -3.438 -21.570 1.00 0.00 H new ATOM 347 N CYS A 24 11.132 -3.392 -16.964 1.00 0.00 N ATOM 348 CA CYS A 24 10.759 -3.531 -15.576 1.00 0.00 C ATOM 349 C CYS A 24 11.691 -4.508 -14.825 1.00 0.00 C ATOM 350 O CYS A 24 11.730 -4.517 -13.594 1.00 0.00 O ATOM 351 CB CYS A 24 9.286 -3.944 -15.460 1.00 0.00 C ATOM 352 SG CYS A 24 8.746 -5.205 -16.664 1.00 0.00 S ATOM 0 H CYS A 24 10.530 -3.899 -17.613 1.00 0.00 H new ATOM 0 HA CYS A 24 10.878 -2.560 -15.094 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.108 -4.323 -14.454 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.664 -3.057 -15.581 1.00 0.00 H new ATOM 357 N GLY A 25 12.450 -5.306 -15.579 1.00 0.00 N ATOM 358 CA GLY A 25 13.387 -6.241 -14.972 1.00 0.00 C ATOM 359 C GLY A 25 12.844 -7.657 -14.862 1.00 0.00 C ATOM 360 O GLY A 25 13.146 -8.369 -13.907 1.00 0.00 O ATOM 0 H GLY A 25 12.432 -5.321 -16.599 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.305 -6.257 -15.560 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.652 -5.883 -13.977 1.00 0.00 H new ATOM 364 N HIS A 26 12.041 -8.060 -15.825 1.00 0.00 N ATOM 365 CA HIS A 26 11.492 -9.410 -15.856 1.00 0.00 C ATOM 366 C HIS A 26 11.936 -10.105 -17.129 1.00 0.00 C ATOM 367 O HIS A 26 12.181 -9.444 -18.134 1.00 0.00 O ATOM 368 CB HIS A 26 9.962 -9.380 -15.756 1.00 0.00 C ATOM 369 CG HIS A 26 9.475 -8.806 -14.462 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.050 -7.494 -14.322 1.00 0.00 N ATOM 371 CD2 HIS A 26 9.396 -9.356 -13.231 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.741 -7.276 -13.049 1.00 0.00 C ATOM 373 NE2 HIS A 26 8.941 -8.391 -12.374 1.00 0.00 N ATOM 0 H HIS A 26 11.749 -7.471 -16.605 1.00 0.00 H new ATOM 0 HA HIS A 26 11.867 -9.966 -14.997 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.560 -8.793 -16.582 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.576 -10.393 -15.867 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.985 -6.808 -15.074 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.647 -10.374 -12.970 1.00 0.00 H new ATOM 0 HE1 HIS A 26 8.386 -6.343 -12.636 1.00 0.00 H new ATOM 380 N ARG A 27 12.069 -11.420 -17.101 1.00 0.00 N ATOM 381 CA ARG A 27 12.553 -12.118 -18.287 1.00 0.00 C ATOM 382 C ARG A 27 11.594 -13.170 -18.800 1.00 0.00 C ATOM 383 O ARG A 27 10.973 -13.908 -18.032 1.00 0.00 O ATOM 384 CB ARG A 27 13.947 -12.703 -18.077 1.00 0.00 C ATOM 385 CG ARG A 27 15.012 -11.645 -17.899 1.00 0.00 C ATOM 386 CD ARG A 27 16.387 -12.237 -17.718 1.00 0.00 C ATOM 387 NE ARG A 27 17.371 -11.186 -17.525 1.00 0.00 N ATOM 388 CZ ARG A 27 18.099 -10.629 -18.507 1.00 0.00 C ATOM 389 NH1 ARG A 27 17.961 -11.036 -19.766 1.00 0.00 N ATOM 390 NH2 ARG A 27 18.942 -9.650 -18.225 1.00 0.00 N ATOM 0 H ARG A 27 11.857 -12.014 -16.299 1.00 0.00 H new ATOM 0 HA ARG A 27 12.619 -11.356 -19.064 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.935 -13.350 -17.200 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.204 -13.329 -18.931 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.015 -10.986 -18.768 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.768 -11.030 -17.033 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.390 -12.909 -16.860 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.650 -12.834 -18.591 1.00 0.00 H new ATOM 0 HE ARG A 27 17.520 -10.846 -16.575 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.298 -11.777 -19.993 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.518 -10.607 -20.505 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.038 -9.320 -17.265 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.496 -9.225 -18.968 1.00 0.00 H new ATOM 404 N PHE A 28 11.491 -13.221 -20.114 1.00 0.00 N ATOM 405 CA PHE A 28 10.612 -14.123 -20.828 1.00 0.00 C ATOM 406 C PHE A 28 11.340 -14.574 -22.090 1.00 0.00 C ATOM 407 O PHE A 28 12.430 -14.072 -22.387 1.00 0.00 O ATOM 408 CB PHE A 28 9.323 -13.392 -21.251 1.00 0.00 C ATOM 409 CG PHE A 28 8.504 -12.796 -20.127 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.512 -13.531 -19.512 1.00 0.00 C ATOM 411 CD2 PHE A 28 8.725 -11.492 -19.706 1.00 0.00 C ATOM 412 CE1 PHE A 28 6.749 -12.982 -18.494 1.00 0.00 C ATOM 413 CE2 PHE A 28 7.970 -10.935 -18.692 1.00 0.00 C ATOM 414 CZ PHE A 28 6.980 -11.679 -18.083 1.00 0.00 C ATOM 0 H PHE A 28 12.034 -12.617 -20.731 1.00 0.00 H new ATOM 0 HA PHE A 28 10.351 -14.966 -20.188 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.591 -12.593 -21.943 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.695 -14.092 -21.801 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.328 -14.547 -19.828 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.498 -10.904 -20.178 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.975 -13.569 -18.021 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.154 -9.919 -18.376 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.388 -11.248 -17.290 1.00 0.00 H new ATOM 424 N CYS A 29 10.786 -15.524 -22.809 1.00 0.00 N ATOM 425 CA CYS A 29 11.290 -15.834 -24.134 1.00 0.00 C ATOM 426 C CYS A 29 10.653 -14.868 -25.130 1.00 0.00 C ATOM 427 O CYS A 29 9.540 -14.374 -24.897 1.00 0.00 O ATOM 428 CB CYS A 29 10.963 -17.268 -24.519 1.00 0.00 C ATOM 429 SG CYS A 29 11.517 -18.516 -23.314 1.00 0.00 S ATOM 0 H CYS A 29 9.995 -16.092 -22.506 1.00 0.00 H new ATOM 0 HA CYS A 29 12.375 -15.727 -24.142 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.885 -17.360 -24.649 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.420 -17.485 -25.485 1.00 0.00 H new ATOM 434 N LYS A 30 11.330 -14.613 -26.235 1.00 0.00 N ATOM 435 CA LYS A 30 10.884 -13.613 -27.215 1.00 0.00 C ATOM 436 C LYS A 30 9.605 -14.048 -27.940 1.00 0.00 C ATOM 437 O LYS A 30 8.911 -13.235 -28.549 1.00 0.00 O ATOM 438 CB LYS A 30 11.994 -13.305 -28.225 1.00 0.00 C ATOM 439 CG LYS A 30 11.647 -12.224 -29.239 1.00 0.00 C ATOM 440 CD LYS A 30 12.780 -11.968 -30.217 1.00 0.00 C ATOM 441 CE LYS A 30 12.415 -10.868 -31.205 1.00 0.00 C ATOM 442 NZ LYS A 30 13.505 -10.597 -32.168 1.00 0.00 N ATOM 0 H LYS A 30 12.199 -15.084 -26.486 1.00 0.00 H new ATOM 0 HA LYS A 30 10.653 -12.703 -26.661 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.888 -13.000 -27.681 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.244 -14.221 -28.761 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.754 -12.519 -29.790 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.407 -11.299 -28.714 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.680 -11.686 -29.670 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.011 -12.885 -30.759 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.515 -11.155 -31.749 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.180 -9.955 -30.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.212 -9.842 -32.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.357 -10.298 -31.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.713 -11.461 -32.709 1.00 0.00 H new ATOM 456 N ALA A 31 9.258 -15.303 -27.821 1.00 0.00 N ATOM 457 CA ALA A 31 8.088 -15.795 -28.512 1.00 0.00 C ATOM 458 C ALA A 31 7.027 -16.176 -27.512 1.00 0.00 C ATOM 459 O ALA A 31 5.947 -16.629 -27.872 1.00 0.00 O ATOM 460 CB ALA A 31 8.442 -16.971 -29.406 1.00 0.00 C ATOM 0 H ALA A 31 9.757 -15.996 -27.263 1.00 0.00 H new ATOM 0 HA ALA A 31 7.697 -15.003 -29.150 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.545 -17.324 -29.915 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.179 -16.657 -30.145 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.856 -17.777 -28.800 1.00 0.00 H new ATOM 466 N CYS A 32 7.337 -15.971 -26.248 1.00 0.00 N ATOM 467 CA CYS A 32 6.362 -16.131 -25.209 1.00 0.00 C ATOM 468 C CYS A 32 5.748 -14.783 -24.872 1.00 0.00 C ATOM 469 O CYS A 32 4.537 -14.599 -24.973 1.00 0.00 O ATOM 470 CB CYS A 32 6.991 -16.763 -23.969 1.00 0.00 C ATOM 471 SG CYS A 32 7.844 -18.335 -24.292 1.00 0.00 S ATOM 0 H CYS A 32 8.263 -15.692 -25.923 1.00 0.00 H new ATOM 0 HA CYS A 32 5.577 -16.799 -25.562 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.701 -16.059 -23.535 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.213 -16.930 -23.224 1.00 0.00 H new ATOM 476 N ILE A 33 6.594 -13.826 -24.513 1.00 0.00 N ATOM 477 CA ILE A 33 6.107 -12.508 -24.115 1.00 0.00 C ATOM 478 C ILE A 33 5.463 -11.763 -25.288 1.00 0.00 C ATOM 479 O ILE A 33 4.395 -11.190 -25.138 1.00 0.00 O ATOM 480 CB ILE A 33 7.202 -11.636 -23.422 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.606 -10.343 -22.842 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.369 -11.330 -24.354 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.613 -10.578 -21.724 1.00 0.00 C ATOM 0 H ILE A 33 7.608 -13.933 -24.488 1.00 0.00 H new ATOM 0 HA ILE A 33 5.335 -12.687 -23.367 1.00 0.00 H new ATOM 0 HB ILE A 33 7.597 -12.226 -22.595 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.416 -9.715 -22.471 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.115 -9.789 -23.642 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.105 -10.722 -23.828 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.832 -12.263 -24.675 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.005 -10.786 -25.226 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.236 -9.620 -21.365 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.783 -11.179 -22.095 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.104 -11.104 -20.905 1.00 0.00 H new ATOM 495 N ILE A 34 6.076 -11.838 -26.464 1.00 0.00 N ATOM 496 CA ILE A 34 5.539 -11.178 -27.651 1.00 0.00 C ATOM 497 C ILE A 34 4.183 -11.742 -28.050 1.00 0.00 C ATOM 498 O ILE A 34 3.251 -10.996 -28.363 1.00 0.00 O ATOM 499 CB ILE A 34 6.523 -11.109 -28.844 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.686 -10.162 -28.483 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.815 -10.630 -30.117 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.771 -10.076 -29.530 1.00 0.00 C ATOM 0 H ILE A 34 6.945 -12.349 -26.622 1.00 0.00 H new ATOM 0 HA ILE A 34 5.389 -10.139 -27.357 1.00 0.00 H new ATOM 0 HB ILE A 34 6.912 -12.108 -29.042 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.285 -9.163 -28.311 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.130 -10.493 -27.544 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.530 -10.591 -30.939 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.011 -11.322 -30.368 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.400 -9.636 -29.950 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.547 -9.389 -29.194 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.204 -11.064 -29.687 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.346 -9.713 -30.466 1.00 0.00 H new ATOM 514 N LYS A 35 4.056 -13.049 -27.976 1.00 0.00 N ATOM 515 CA LYS A 35 2.841 -13.725 -28.391 1.00 0.00 C ATOM 516 C LYS A 35 1.768 -13.561 -27.302 1.00 0.00 C ATOM 517 O LYS A 35 0.633 -13.990 -27.454 1.00 0.00 O ATOM 518 CB LYS A 35 3.151 -15.223 -28.598 1.00 0.00 C ATOM 519 CG LYS A 35 1.994 -16.094 -29.080 1.00 0.00 C ATOM 520 CD LYS A 35 1.556 -15.725 -30.489 1.00 0.00 C ATOM 521 CE LYS A 35 0.363 -16.552 -30.934 1.00 0.00 C ATOM 522 NZ LYS A 35 0.679 -18.002 -30.986 1.00 0.00 N ATOM 0 H LYS A 35 4.786 -13.672 -27.629 1.00 0.00 H new ATOM 0 HA LYS A 35 2.473 -13.294 -29.322 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.965 -15.307 -29.318 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.516 -15.630 -27.655 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.293 -17.142 -29.055 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.151 -15.987 -28.398 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.301 -14.666 -30.526 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.384 -15.878 -31.181 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.468 -16.387 -30.249 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.036 -16.217 -31.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.099 -18.510 -31.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.558 -18.147 -31.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.800 -18.366 -30.019 1.00 0.00 H new ATOM 536 N SER A 36 2.136 -12.920 -26.214 1.00 0.00 N ATOM 537 CA SER A 36 1.190 -12.653 -25.150 1.00 0.00 C ATOM 538 C SER A 36 0.795 -11.168 -25.110 1.00 0.00 C ATOM 539 O SER A 36 -0.220 -10.796 -24.512 1.00 0.00 O ATOM 540 CB SER A 36 1.780 -13.081 -23.805 1.00 0.00 C ATOM 541 OG SER A 36 2.123 -14.461 -23.821 1.00 0.00 O ATOM 0 H SER A 36 3.080 -12.575 -26.042 1.00 0.00 H new ATOM 0 HA SER A 36 0.288 -13.232 -25.347 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.665 -12.484 -23.584 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.060 -12.890 -23.009 1.00 0.00 H new ATOM 0 HG SER A 36 2.872 -14.605 -24.436 1.00 0.00 H new ATOM 547 N ILE A 37 1.596 -10.324 -25.749 1.00 0.00 N ATOM 548 CA ILE A 37 1.365 -8.883 -25.696 1.00 0.00 C ATOM 549 C ILE A 37 0.808 -8.309 -26.991 1.00 0.00 C ATOM 550 O ILE A 37 0.367 -7.164 -27.017 1.00 0.00 O ATOM 551 CB ILE A 37 2.641 -8.114 -25.310 1.00 0.00 C ATOM 552 CG1 ILE A 37 3.757 -8.395 -26.312 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.071 -8.446 -23.885 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.020 -7.612 -26.070 1.00 0.00 C ATOM 0 H ILE A 37 2.403 -10.607 -26.305 1.00 0.00 H new ATOM 0 HA ILE A 37 0.609 -8.749 -24.922 1.00 0.00 H new ATOM 0 HB ILE A 37 2.423 -7.047 -25.342 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.993 -9.459 -26.286 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.393 -8.173 -27.315 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.975 -7.889 -23.639 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.276 -8.172 -23.192 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.270 -9.515 -23.805 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.760 -7.872 -26.827 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.803 -6.545 -26.126 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.412 -7.851 -25.082 1.00 0.00 H new ATOM 566 N ARG A 38 0.821 -9.087 -28.061 1.00 0.00 N ATOM 567 CA ARG A 38 0.336 -8.568 -29.333 1.00 0.00 C ATOM 568 C ARG A 38 -1.117 -8.922 -29.580 1.00 0.00 C ATOM 569 O ARG A 38 -1.734 -8.402 -30.504 1.00 0.00 O ATOM 570 CB ARG A 38 1.215 -8.998 -30.524 1.00 0.00 C ATOM 571 CG ARG A 38 1.257 -10.490 -30.801 1.00 0.00 C ATOM 572 CD ARG A 38 2.050 -10.767 -32.066 1.00 0.00 C ATOM 573 NE ARG A 38 1.377 -10.206 -33.250 1.00 0.00 N ATOM 574 CZ ARG A 38 1.996 -9.639 -34.295 1.00 0.00 C ATOM 575 NH1 ARG A 38 3.308 -9.508 -34.302 1.00 0.00 N ATOM 576 NH2 ARG A 38 1.292 -9.181 -35.322 1.00 0.00 N ATOM 0 H ARG A 38 1.151 -10.052 -28.079 1.00 0.00 H new ATOM 0 HA ARG A 38 0.405 -7.483 -29.255 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.857 -8.490 -31.419 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.233 -8.651 -30.346 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.710 -11.011 -29.958 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.243 -10.876 -30.907 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.048 -10.338 -31.974 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.176 -11.842 -32.191 1.00 0.00 H new ATOM 0 HE ARG A 38 0.358 -10.253 -33.277 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.858 -9.839 -33.509 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.773 -9.076 -35.100 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.275 -9.260 -35.319 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.768 -8.750 -36.115 1.00 0.00 H new ATOM 590 N ASP A 39 -1.668 -9.801 -28.772 1.00 0.00 N ATOM 591 CA ASP A 39 -3.069 -10.188 -28.949 1.00 0.00 C ATOM 592 C ASP A 39 -3.905 -9.767 -27.749 1.00 0.00 C ATOM 593 O ASP A 39 -4.990 -9.194 -27.906 1.00 0.00 O ATOM 594 CB ASP A 39 -3.210 -11.701 -29.213 1.00 0.00 C ATOM 595 CG ASP A 39 -2.828 -12.567 -28.029 1.00 0.00 C ATOM 596 OD1 ASP A 39 -1.854 -12.235 -27.318 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.511 -13.584 -27.781 1.00 0.00 O ATOM 0 H ASP A 39 -1.187 -10.259 -27.998 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.445 -9.664 -29.828 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.241 -11.917 -29.492 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.586 -11.971 -30.065 1.00 0.00 H new ATOM 602 N ALA A 40 -3.405 -10.027 -26.560 1.00 0.00 N ATOM 603 CA ALA A 40 -4.078 -9.607 -25.353 1.00 0.00 C ATOM 604 C ALA A 40 -3.860 -8.120 -25.126 1.00 0.00 C ATOM 605 O ALA A 40 -4.733 -7.306 -25.410 1.00 0.00 O ATOM 606 CB ALA A 40 -3.588 -10.416 -24.163 1.00 0.00 C ATOM 0 H ALA A 40 -2.531 -10.529 -26.405 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.148 -9.785 -25.464 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.105 -10.087 -23.262 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.792 -11.473 -24.333 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.515 -10.269 -24.040 1.00 0.00 H new ATOM 612 N GLY A 41 -2.689 -7.765 -24.661 1.00 0.00 N ATOM 613 CA GLY A 41 -2.365 -6.376 -24.457 1.00 0.00 C ATOM 614 C GLY A 41 -0.897 -6.201 -24.219 1.00 0.00 C ATOM 615 O GLY A 41 -0.225 -7.149 -23.812 1.00 0.00 O ATOM 0 H GLY A 41 -1.945 -8.418 -24.417 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.668 -5.796 -25.328 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.925 -5.989 -23.606 1.00 0.00 H new ATOM 619 N HIS A 42 -0.389 -5.008 -24.444 1.00 0.00 N ATOM 620 CA HIS A 42 1.021 -4.748 -24.272 1.00 0.00 C ATOM 621 C HIS A 42 1.361 -4.449 -22.826 1.00 0.00 C ATOM 622 O HIS A 42 1.698 -3.326 -22.463 1.00 0.00 O ATOM 623 CB HIS A 42 1.536 -3.661 -25.228 1.00 0.00 C ATOM 624 CG HIS A 42 1.759 -4.136 -26.643 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.790 -4.121 -27.628 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.867 -4.632 -27.231 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.297 -4.601 -28.751 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.552 -4.915 -28.537 1.00 0.00 N ATOM 0 H HIS A 42 -0.935 -4.202 -24.747 1.00 0.00 H new ATOM 0 HA HIS A 42 1.548 -5.664 -24.541 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.822 -2.837 -25.242 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.473 -3.264 -24.838 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.828 -4.780 -26.760 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.768 -4.715 -29.685 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.191 -5.306 -29.229 1.00 0.00 H new ATOM 637 N LYS A 43 1.221 -5.468 -22.003 1.00 0.00 N ATOM 638 CA LYS A 43 1.623 -5.412 -20.622 1.00 0.00 C ATOM 639 C LYS A 43 2.191 -6.765 -20.232 1.00 0.00 C ATOM 640 O LYS A 43 1.792 -7.794 -20.802 1.00 0.00 O ATOM 641 CB LYS A 43 0.439 -5.065 -19.686 1.00 0.00 C ATOM 642 CG LYS A 43 -0.595 -6.182 -19.509 1.00 0.00 C ATOM 643 CD LYS A 43 -1.630 -5.826 -18.447 1.00 0.00 C ATOM 644 CE LYS A 43 -2.646 -4.802 -18.937 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.609 -5.394 -19.900 1.00 0.00 N ATOM 0 H LYS A 43 0.821 -6.364 -22.281 1.00 0.00 H new ATOM 0 HA LYS A 43 2.369 -4.625 -20.513 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.836 -4.799 -18.706 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.066 -4.181 -20.076 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.097 -6.368 -20.459 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.089 -7.106 -19.229 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.153 -6.731 -18.137 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.121 -5.434 -17.566 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.189 -4.393 -18.085 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.124 -3.971 -19.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.352 -4.700 -20.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.110 -5.654 -20.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.040 -6.243 -19.482 1.00 0.00 H new ATOM 659 N CYS A 44 3.106 -6.782 -19.295 1.00 0.00 N ATOM 660 CA CYS A 44 3.612 -8.031 -18.787 1.00 0.00 C ATOM 661 C CYS A 44 2.661 -8.566 -17.711 1.00 0.00 C ATOM 662 O CYS A 44 2.374 -7.877 -16.735 1.00 0.00 O ATOM 663 CB CYS A 44 5.043 -7.854 -18.268 1.00 0.00 C ATOM 664 SG CYS A 44 5.321 -6.331 -17.302 1.00 0.00 S ATOM 0 H CYS A 44 3.514 -5.949 -18.871 1.00 0.00 H new ATOM 0 HA CYS A 44 3.656 -8.769 -19.588 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.299 -8.713 -17.648 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.726 -7.859 -19.117 1.00 0.00 H new ATOM 669 N PRO A 45 2.165 -9.803 -17.877 1.00 0.00 N ATOM 670 CA PRO A 45 1.106 -10.359 -17.016 1.00 0.00 C ATOM 671 C PRO A 45 1.513 -10.471 -15.546 1.00 0.00 C ATOM 672 O PRO A 45 0.666 -10.404 -14.652 1.00 0.00 O ATOM 673 CB PRO A 45 0.849 -11.751 -17.619 1.00 0.00 C ATOM 674 CG PRO A 45 2.102 -12.075 -18.368 1.00 0.00 C ATOM 675 CD PRO A 45 2.603 -10.765 -18.905 1.00 0.00 C ATOM 0 HA PRO A 45 0.228 -9.714 -17.000 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.650 -12.489 -16.842 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.017 -11.743 -18.280 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.841 -12.539 -17.714 1.00 0.00 H new ATOM 0 HG3 PRO A 45 1.905 -12.780 -19.176 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.686 -10.764 -19.024 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.175 -10.537 -19.881 1.00 0.00 H new ATOM 683 N VAL A 46 2.803 -10.634 -15.299 1.00 0.00 N ATOM 684 CA VAL A 46 3.290 -10.811 -13.943 1.00 0.00 C ATOM 685 C VAL A 46 3.176 -9.541 -13.084 1.00 0.00 C ATOM 686 O VAL A 46 2.725 -9.603 -11.945 1.00 0.00 O ATOM 687 CB VAL A 46 4.725 -11.401 -13.892 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.720 -12.822 -14.438 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.687 -10.545 -14.701 1.00 0.00 C ATOM 0 H VAL A 46 3.528 -10.647 -16.017 1.00 0.00 H new ATOM 0 HA VAL A 46 2.622 -11.548 -13.498 1.00 0.00 H new ATOM 0 HB VAL A 46 5.057 -11.412 -12.854 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.730 -13.230 -14.399 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.055 -13.441 -13.835 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.371 -12.814 -15.471 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.687 -10.976 -14.652 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.358 -10.510 -15.739 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.707 -9.535 -14.292 1.00 0.00 H new ATOM 699 N ASP A 47 3.568 -8.393 -13.622 1.00 0.00 N ATOM 700 CA ASP A 47 3.568 -7.149 -12.826 1.00 0.00 C ATOM 701 C ASP A 47 2.671 -6.049 -13.403 1.00 0.00 C ATOM 702 O ASP A 47 2.645 -4.930 -12.883 1.00 0.00 O ATOM 703 CB ASP A 47 4.999 -6.623 -12.586 1.00 0.00 C ATOM 704 CG ASP A 47 5.812 -6.458 -13.856 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.947 -7.412 -14.633 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.374 -5.384 -14.094 1.00 0.00 O ATOM 0 H ASP A 47 3.886 -8.286 -14.585 1.00 0.00 H new ATOM 0 HA ASP A 47 3.135 -7.423 -11.864 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.942 -5.662 -12.075 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.521 -7.309 -11.918 1.00 0.00 H new ATOM 711 N ASN A 48 1.934 -6.381 -14.454 1.00 0.00 N ATOM 712 CA ASN A 48 0.942 -5.472 -15.069 1.00 0.00 C ATOM 713 C ASN A 48 1.553 -4.155 -15.539 1.00 0.00 C ATOM 714 O ASN A 48 0.893 -3.118 -15.520 1.00 0.00 O ATOM 715 CB ASN A 48 -0.227 -5.181 -14.120 1.00 0.00 C ATOM 716 CG ASN A 48 -1.141 -6.364 -13.891 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.337 -7.202 -14.773 1.00 0.00 O ATOM 718 ND2 ASN A 48 -1.721 -6.439 -12.712 1.00 0.00 N ATOM 0 H ASN A 48 1.998 -7.289 -14.915 1.00 0.00 H new ATOM 0 HA ASN A 48 0.569 -6.001 -15.946 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.171 -4.851 -13.160 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.813 -4.355 -14.524 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.357 -7.209 -12.504 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.535 -5.727 -12.006 1.00 0.00 H new ATOM 725 N GLU A 49 2.780 -4.190 -15.979 1.00 0.00 N ATOM 726 CA GLU A 49 3.418 -3.000 -16.503 1.00 0.00 C ATOM 727 C GLU A 49 3.294 -2.955 -17.993 1.00 0.00 C ATOM 728 O GLU A 49 3.296 -3.994 -18.644 1.00 0.00 O ATOM 729 CB GLU A 49 4.879 -2.917 -16.097 1.00 0.00 C ATOM 730 CG GLU A 49 5.086 -2.618 -14.632 1.00 0.00 C ATOM 731 CD GLU A 49 4.554 -1.260 -14.253 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.968 -0.258 -14.870 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.719 -1.170 -13.326 1.00 0.00 O ATOM 0 H GLU A 49 3.364 -5.026 -15.988 1.00 0.00 H new ATOM 0 HA GLU A 49 2.905 -2.139 -16.074 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.368 -3.861 -16.339 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.368 -2.144 -16.689 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.591 -3.382 -14.032 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.149 -2.669 -14.398 1.00 0.00 H new ATOM 740 N ILE A 50 3.171 -1.759 -18.535 1.00 0.00 N ATOM 741 CA ILE A 50 3.070 -1.601 -19.971 1.00 0.00 C ATOM 742 C ILE A 50 4.390 -2.034 -20.605 1.00 0.00 C ATOM 743 O ILE A 50 5.458 -1.482 -20.302 1.00 0.00 O ATOM 744 CB ILE A 50 2.757 -0.130 -20.361 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.427 0.334 -19.733 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.727 0.046 -21.880 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.217 -0.484 -20.146 1.00 0.00 C ATOM 0 H ILE A 50 3.139 -0.888 -18.006 1.00 0.00 H new ATOM 0 HA ILE A 50 2.251 -2.221 -20.335 1.00 0.00 H new ATOM 0 HB ILE A 50 3.558 0.495 -19.967 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.520 0.299 -18.648 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.255 1.376 -20.004 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.506 1.086 -22.122 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.697 -0.225 -22.297 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.957 -0.597 -22.306 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.674 -0.088 -19.658 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.093 -0.429 -21.228 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.362 -1.523 -19.850 1.00 0.00 H new ATOM 759 N LEU A 51 4.311 -3.015 -21.466 1.00 0.00 N ATOM 760 CA LEU A 51 5.480 -3.627 -22.021 1.00 0.00 C ATOM 761 C LEU A 51 5.460 -3.514 -23.528 1.00 0.00 C ATOM 762 O LEU A 51 4.488 -3.889 -24.182 1.00 0.00 O ATOM 763 CB LEU A 51 5.579 -5.099 -21.556 1.00 0.00 C ATOM 764 CG LEU A 51 6.871 -5.885 -21.884 1.00 0.00 C ATOM 765 CD1 LEU A 51 6.867 -6.394 -23.312 1.00 0.00 C ATOM 766 CD2 LEU A 51 8.103 -5.035 -21.636 1.00 0.00 C ATOM 0 H LEU A 51 3.431 -3.409 -21.800 1.00 0.00 H new ATOM 0 HA LEU A 51 6.368 -3.106 -21.663 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.445 -5.116 -20.474 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.740 -5.642 -21.990 1.00 0.00 H new ATOM 0 HG LEU A 51 6.901 -6.747 -21.217 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.790 -6.941 -23.506 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.014 -7.057 -23.460 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.794 -5.551 -23.999 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.997 -5.612 -21.874 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.065 -4.147 -22.267 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.133 -4.735 -20.588 1.00 0.00 H new ATOM 778 N LEU A 52 6.529 -2.987 -24.072 1.00 0.00 N ATOM 779 CA LEU A 52 6.655 -2.842 -25.498 1.00 0.00 C ATOM 780 C LEU A 52 7.710 -3.791 -26.039 1.00 0.00 C ATOM 781 O LEU A 52 8.689 -4.116 -25.359 1.00 0.00 O ATOM 782 CB LEU A 52 6.928 -1.385 -25.913 1.00 0.00 C ATOM 783 CG LEU A 52 5.802 -0.353 -25.666 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.509 -0.769 -26.342 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.579 -0.062 -24.188 1.00 0.00 C ATOM 0 H LEU A 52 7.331 -2.649 -23.541 1.00 0.00 H new ATOM 0 HA LEU A 52 5.698 -3.112 -25.944 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.819 -1.045 -25.384 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.166 -1.376 -26.977 1.00 0.00 H new ATOM 0 HG LEU A 52 6.139 0.579 -26.120 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.740 -0.021 -26.148 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.671 -0.852 -27.417 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.186 -1.733 -25.948 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.778 0.669 -24.078 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.304 -0.983 -23.673 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.496 0.337 -23.753 1.00 0.00 H new ATOM 797 N GLU A 53 7.491 -4.221 -27.259 1.00 0.00 N ATOM 798 CA GLU A 53 8.250 -5.279 -27.913 1.00 0.00 C ATOM 799 C GLU A 53 9.715 -4.906 -28.147 1.00 0.00 C ATOM 800 O GLU A 53 10.606 -5.722 -27.934 1.00 0.00 O ATOM 801 CB GLU A 53 7.569 -5.594 -29.234 1.00 0.00 C ATOM 802 CG GLU A 53 6.189 -6.200 -29.045 1.00 0.00 C ATOM 803 CD GLU A 53 5.396 -6.310 -30.318 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.752 -7.121 -31.190 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.391 -5.565 -30.445 1.00 0.00 O ATOM 0 H GLU A 53 6.755 -3.835 -27.851 1.00 0.00 H new ATOM 0 HA GLU A 53 8.263 -6.150 -27.258 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.484 -4.680 -29.823 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.191 -6.284 -29.804 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.295 -7.192 -28.607 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.631 -5.594 -28.331 1.00 0.00 H new ATOM 812 N ASN A 54 9.971 -3.679 -28.553 1.00 0.00 N ATOM 813 CA ASN A 54 11.343 -3.277 -28.876 1.00 0.00 C ATOM 814 C ASN A 54 12.082 -2.788 -27.641 1.00 0.00 C ATOM 815 O ASN A 54 13.261 -2.441 -27.704 1.00 0.00 O ATOM 816 CB ASN A 54 11.362 -2.212 -29.976 1.00 0.00 C ATOM 817 CG ASN A 54 10.917 -2.746 -31.326 1.00 0.00 C ATOM 818 OD1 ASN A 54 9.734 -2.705 -31.661 1.00 0.00 O ATOM 819 ND2 ASN A 54 11.859 -3.237 -32.114 1.00 0.00 N ATOM 0 H ASN A 54 9.269 -2.948 -28.669 1.00 0.00 H new ATOM 0 HA ASN A 54 11.863 -4.159 -29.249 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.712 -1.386 -29.686 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.370 -1.808 -30.066 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.615 -3.599 -33.036 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.829 -3.253 -31.800 1.00 0.00 H new ATOM 826 N GLN A 55 11.386 -2.792 -26.514 1.00 0.00 N ATOM 827 CA GLN A 55 11.974 -2.392 -25.247 1.00 0.00 C ATOM 828 C GLN A 55 12.649 -3.581 -24.566 1.00 0.00 C ATOM 829 O GLN A 55 13.342 -3.433 -23.556 1.00 0.00 O ATOM 830 CB GLN A 55 10.935 -1.727 -24.337 1.00 0.00 C ATOM 831 CG GLN A 55 10.466 -0.367 -24.849 1.00 0.00 C ATOM 832 CD GLN A 55 9.378 0.269 -23.993 1.00 0.00 C ATOM 833 OE1 GLN A 55 9.225 -0.045 -22.815 1.00 0.00 O ATOM 834 NE2 GLN A 55 8.637 1.186 -24.572 1.00 0.00 N ATOM 0 H GLN A 55 10.407 -3.070 -26.453 1.00 0.00 H new ATOM 0 HA GLN A 55 12.744 -1.647 -25.448 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.073 -2.387 -24.238 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.360 -1.606 -23.340 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.321 0.308 -24.895 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.094 -0.481 -25.867 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.791 1.422 -25.552 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.907 1.662 -24.041 1.00 0.00 H new ATOM 843 N LEU A 56 12.446 -4.752 -25.139 1.00 0.00 N ATOM 844 CA LEU A 56 13.012 -5.991 -24.632 1.00 0.00 C ATOM 845 C LEU A 56 14.517 -6.070 -24.914 1.00 0.00 C ATOM 846 O LEU A 56 14.979 -5.665 -25.990 1.00 0.00 O ATOM 847 CB LEU A 56 12.317 -7.177 -25.305 1.00 0.00 C ATOM 848 CG LEU A 56 10.826 -7.358 -25.017 1.00 0.00 C ATOM 849 CD1 LEU A 56 10.251 -8.485 -25.864 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.604 -7.632 -23.541 1.00 0.00 C ATOM 0 H LEU A 56 11.878 -4.873 -25.978 1.00 0.00 H new ATOM 0 HA LEU A 56 12.859 -6.020 -23.553 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.445 -7.078 -26.383 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.834 -8.088 -25.005 1.00 0.00 H new ATOM 0 HG LEU A 56 10.308 -6.436 -25.279 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.189 -8.599 -25.645 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.381 -8.249 -26.920 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.771 -9.415 -25.634 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.538 -7.759 -23.351 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.134 -8.541 -23.256 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.980 -6.794 -22.955 1.00 0.00 H new ATOM 862 N PHE A 57 15.271 -6.593 -23.954 1.00 0.00 N ATOM 863 CA PHE A 57 16.707 -6.803 -24.109 1.00 0.00 C ATOM 864 C PHE A 57 17.015 -8.300 -24.120 1.00 0.00 C ATOM 865 O PHE A 57 17.116 -8.914 -23.055 1.00 0.00 O ATOM 866 CB PHE A 57 17.501 -6.175 -22.953 1.00 0.00 C ATOM 867 CG PHE A 57 17.334 -4.698 -22.760 1.00 0.00 C ATOM 868 CD1 PHE A 57 18.080 -3.798 -23.503 1.00 0.00 C ATOM 869 CD2 PHE A 57 16.447 -4.216 -21.814 1.00 0.00 C ATOM 870 CE1 PHE A 57 17.942 -2.442 -23.305 1.00 0.00 C ATOM 871 CE2 PHE A 57 16.303 -2.860 -21.613 1.00 0.00 C ATOM 872 CZ PHE A 57 17.054 -1.969 -22.360 1.00 0.00 C ATOM 0 H PHE A 57 14.905 -6.883 -23.047 1.00 0.00 H new ATOM 0 HA PHE A 57 17.000 -6.332 -25.048 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.214 -6.676 -22.028 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.559 -6.382 -23.112 1.00 0.00 H new ATOM 0 HD1 PHE A 57 18.776 -4.163 -24.244 1.00 0.00 H new ATOM 0 HD2 PHE A 57 15.862 -4.909 -21.227 1.00 0.00 H new ATOM 0 HE1 PHE A 57 18.529 -1.749 -23.889 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.606 -2.494 -20.874 1.00 0.00 H new ATOM 0 HZ PHE A 57 16.945 -0.906 -22.204 1.00 0.00 H new ATOM 882 N PRO A 58 17.105 -8.924 -25.300 1.00 0.00 N ATOM 883 CA PRO A 58 17.492 -10.345 -25.420 1.00 0.00 C ATOM 884 C PRO A 58 18.851 -10.628 -24.788 1.00 0.00 C ATOM 885 O PRO A 58 19.032 -11.625 -24.089 1.00 0.00 O ATOM 886 CB PRO A 58 17.574 -10.553 -26.931 1.00 0.00 C ATOM 887 CG PRO A 58 16.661 -9.522 -27.497 1.00 0.00 C ATOM 888 CD PRO A 58 16.824 -8.322 -26.610 1.00 0.00 C ATOM 0 HA PRO A 58 16.789 -11.004 -24.911 1.00 0.00 H new ATOM 0 HB2 PRO A 58 18.593 -10.424 -27.295 1.00 0.00 H new ATOM 0 HB3 PRO A 58 17.260 -11.559 -27.211 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.923 -9.288 -28.529 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.628 -9.871 -27.502 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.639 -7.680 -26.944 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.923 -7.709 -26.589 1.00 0.00 H new ATOM 896 N ASP A 59 19.798 -9.736 -25.009 1.00 0.00 N ATOM 897 CA ASP A 59 21.130 -9.928 -24.477 1.00 0.00 C ATOM 898 C ASP A 59 21.710 -8.623 -23.976 1.00 0.00 C ATOM 899 O ASP A 59 22.219 -7.818 -24.759 1.00 0.00 O ATOM 900 CB ASP A 59 22.054 -10.570 -25.518 1.00 0.00 C ATOM 901 CG ASP A 59 23.403 -10.965 -24.941 1.00 0.00 C ATOM 902 OD1 ASP A 59 23.439 -11.813 -24.023 1.00 0.00 O ATOM 903 OD2 ASP A 59 24.441 -10.463 -25.424 1.00 0.00 O ATOM 0 H ASP A 59 19.670 -8.880 -25.548 1.00 0.00 H new ATOM 0 HA ASP A 59 21.052 -10.610 -23.630 1.00 0.00 H new ATOM 0 HB2 ASP A 59 21.568 -11.453 -25.933 1.00 0.00 H new ATOM 0 HB3 ASP A 59 22.206 -9.873 -26.342 1.00 0.00 H new ATOM 908 N ASN A 60 21.599 -8.391 -22.681 1.00 0.00 N ATOM 909 CA ASN A 60 22.194 -7.206 -22.077 1.00 0.00 C ATOM 910 C ASN A 60 23.356 -7.577 -21.165 1.00 0.00 C ATOM 911 O ASN A 60 23.968 -6.719 -20.522 1.00 0.00 O ATOM 912 CB ASN A 60 21.156 -6.348 -21.328 1.00 0.00 C ATOM 913 CG ASN A 60 20.466 -7.058 -20.167 1.00 0.00 C ATOM 914 OD1 ASN A 60 20.324 -8.284 -20.153 1.00 0.00 O ATOM 915 ND2 ASN A 60 20.020 -6.292 -19.190 1.00 0.00 N ATOM 0 H ASN A 60 21.107 -9.001 -22.028 1.00 0.00 H new ATOM 0 HA ASN A 60 22.582 -6.597 -22.893 1.00 0.00 H new ATOM 0 HB2 ASN A 60 21.649 -5.453 -20.948 1.00 0.00 H new ATOM 0 HB3 ASN A 60 20.397 -6.017 -22.037 1.00 0.00 H new ATOM 0 HD21 ASN A 60 19.541 -6.710 -18.392 1.00 0.00 H new ATOM 0 HD22 ASN A 60 20.154 -5.282 -19.232 1.00 0.00 H new ATOM 922 N PHE A 61 23.671 -8.856 -21.126 1.00 0.00 N ATOM 923 CA PHE A 61 24.797 -9.342 -20.364 1.00 0.00 C ATOM 924 C PHE A 61 25.833 -9.970 -21.272 1.00 0.00 C ATOM 925 O PHE A 61 25.648 -11.083 -21.766 1.00 0.00 O ATOM 926 CB PHE A 61 24.366 -10.309 -19.248 1.00 0.00 C ATOM 927 CG PHE A 61 23.693 -9.643 -18.072 1.00 0.00 C ATOM 928 CD1 PHE A 61 24.444 -9.137 -17.018 1.00 0.00 C ATOM 929 CD2 PHE A 61 22.319 -9.521 -18.019 1.00 0.00 C ATOM 930 CE1 PHE A 61 23.832 -8.527 -15.937 1.00 0.00 C ATOM 931 CE2 PHE A 61 21.701 -8.908 -16.936 1.00 0.00 C ATOM 932 CZ PHE A 61 22.459 -8.412 -15.900 1.00 0.00 C ATOM 0 H PHE A 61 23.154 -9.583 -21.621 1.00 0.00 H new ATOM 0 HA PHE A 61 25.254 -8.482 -19.875 1.00 0.00 H new ATOM 0 HB2 PHE A 61 23.686 -11.050 -19.668 1.00 0.00 H new ATOM 0 HB3 PHE A 61 25.244 -10.848 -18.892 1.00 0.00 H new ATOM 0 HD1 PHE A 61 25.520 -9.221 -17.043 1.00 0.00 H new ATOM 0 HD2 PHE A 61 21.717 -9.907 -18.829 1.00 0.00 H new ATOM 0 HE1 PHE A 61 24.429 -8.142 -15.124 1.00 0.00 H new ATOM 0 HE2 PHE A 61 20.625 -8.821 -16.907 1.00 0.00 H new ATOM 0 HZ PHE A 61 21.979 -7.933 -15.059 1.00 0.00 H new ATOM 942 N ALA A 62 26.921 -9.251 -21.480 1.00 0.00 N ATOM 943 CA ALA A 62 27.982 -9.660 -22.381 1.00 0.00 C ATOM 944 C ALA A 62 29.227 -8.836 -22.109 1.00 0.00 C ATOM 945 O ALA A 62 29.179 -7.852 -21.361 1.00 0.00 O ATOM 946 CB ALA A 62 27.547 -9.494 -23.840 1.00 0.00 C ATOM 0 H ALA A 62 27.094 -8.356 -21.022 1.00 0.00 H new ATOM 0 HA ALA A 62 28.202 -10.714 -22.209 1.00 0.00 H new ATOM 0 HB1 ALA A 62 28.357 -9.806 -24.499 1.00 0.00 H new ATOM 0 HB2 ALA A 62 26.667 -10.109 -24.030 1.00 0.00 H new ATOM 0 HB3 ALA A 62 27.306 -8.448 -24.031 1.00 0.00 H new ATOM 952 N LYS A 63 30.338 -9.229 -22.704 1.00 0.00 N ATOM 953 CA LYS A 63 31.564 -8.482 -22.562 1.00 0.00 C ATOM 954 C LYS A 63 31.971 -7.850 -23.888 1.00 0.00 C ATOM 955 O LYS A 63 31.685 -6.656 -24.076 1.00 0.00 O ATOM 956 CB LYS A 63 32.697 -9.324 -21.937 1.00 0.00 C ATOM 957 CG LYS A 63 33.066 -10.603 -22.686 1.00 0.00 C ATOM 958 CD LYS A 63 34.210 -11.338 -21.999 1.00 0.00 C ATOM 959 CE LYS A 63 35.490 -10.503 -21.990 1.00 0.00 C ATOM 960 NZ LYS A 63 35.947 -10.161 -23.367 1.00 0.00 N ATOM 961 OXT LYS A 63 32.540 -8.545 -24.752 1.00 0.00 O ATOM 0 H LYS A 63 30.412 -10.061 -23.289 1.00 0.00 H new ATOM 0 HA LYS A 63 31.375 -7.672 -21.858 1.00 0.00 H new ATOM 0 HB2 LYS A 63 33.588 -8.700 -21.861 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.407 -9.591 -20.921 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.195 -11.256 -22.745 1.00 0.00 H new ATOM 0 HG3 LYS A 63 33.351 -10.358 -23.709 1.00 0.00 H new ATOM 0 HD2 LYS A 63 33.925 -11.579 -20.975 1.00 0.00 H new ATOM 0 HD3 LYS A 63 34.395 -12.283 -22.510 1.00 0.00 H new ATOM 0 HE2 LYS A 63 35.320 -9.585 -21.427 1.00 0.00 H new ATOM 0 HE3 LYS A 63 36.277 -11.052 -21.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 36.919 -9.792 -23.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 35.924 -11.014 -23.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 35.318 -9.439 -23.772 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.306 -19.267 -22.820 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.983 -6.216 -15.767 1.00 0.00 ZN