USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=11 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 K(o=-1.9,f=-2.5) USER MOD Set 1.2: A 60 ASN : amide:sc= -1.87! C(o=-1.9!,f=-8.7!) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0434 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -109:sc= 0.616 (180deg=-0.412) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 139:sc= -1.31 (180deg=-2.44!) USER MOD Single : A 22 THR OG1 : rot 147:sc= 1.63 USER MOD Single : A 26 HIS : no HE2:sc= -1.36! C(o=-1.4!,f=-2!) USER MOD Single : A 30 LYS NZ :NH3+ 170:sc= -0.0146 (180deg=-0.121) USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= -0.063 (180deg=-0.375) USER MOD Single : A 36 SER OG : rot 73:sc= 0.864 USER MOD Single : A 42 HIS : no HD1:sc= 0.0624 K(o=0.062,f=-5.7!) USER MOD Single : A 43 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0327) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 54 ASN : amide:sc= -0.324 K(o=-0.32,f=-3.5!) USER MOD Single : A 55 GLN : amide:sc= -0.0331 X(o=-0.033,f=-0.096) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.069 -19.747 -2.005 1.00 0.00 N ATOM 2 CA GLY A 1 4.718 -19.212 -3.330 1.00 0.00 C ATOM 3 C GLY A 1 5.943 -19.079 -4.208 1.00 0.00 C ATOM 4 O GLY A 1 6.884 -19.864 -4.072 1.00 0.00 O ATOM 0 H1 GLY A 1 4.419 -20.521 -1.760 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.044 -20.107 -2.023 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.992 -18.992 -1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.993 -19.869 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.241 -18.239 -3.217 1.00 0.00 H new ATOM 10 N PRO A 2 5.965 -18.099 -5.126 1.00 0.00 N ATOM 11 CA PRO A 2 7.115 -17.869 -6.014 1.00 0.00 C ATOM 12 C PRO A 2 8.376 -17.528 -5.223 1.00 0.00 C ATOM 13 O PRO A 2 8.315 -16.799 -4.225 1.00 0.00 O ATOM 14 CB PRO A 2 6.680 -16.648 -6.836 1.00 0.00 C ATOM 15 CG PRO A 2 5.196 -16.657 -6.754 1.00 0.00 C ATOM 16 CD PRO A 2 4.879 -17.138 -5.378 1.00 0.00 C ATOM 0 HA PRO A 2 7.359 -18.748 -6.611 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.095 -15.726 -6.428 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.021 -16.722 -7.869 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.787 -15.662 -6.926 1.00 0.00 H new ATOM 0 HG3 PRO A 2 4.765 -17.314 -7.509 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.879 -16.325 -4.652 1.00 0.00 H new ATOM 0 HD3 PRO A 2 3.898 -17.610 -5.328 1.00 0.00 H new ATOM 24 N LEU A 3 9.505 -18.065 -5.655 1.00 0.00 N ATOM 25 CA LEU A 3 10.784 -17.769 -5.038 1.00 0.00 C ATOM 26 C LEU A 3 11.149 -16.301 -5.244 1.00 0.00 C ATOM 27 O LEU A 3 11.611 -15.613 -4.327 1.00 0.00 O ATOM 28 CB LEU A 3 11.879 -18.667 -5.625 1.00 0.00 C ATOM 29 CG LEU A 3 13.283 -18.475 -5.044 1.00 0.00 C ATOM 30 CD1 LEU A 3 13.291 -18.761 -3.549 1.00 0.00 C ATOM 31 CD2 LEU A 3 14.284 -19.355 -5.767 1.00 0.00 C ATOM 0 H LEU A 3 9.559 -18.715 -6.439 1.00 0.00 H new ATOM 0 HA LEU A 3 10.703 -17.964 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.586 -19.707 -5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.925 -18.496 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 3 13.575 -17.435 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.298 -18.619 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.605 -18.080 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.975 -19.789 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.276 -19.205 -5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 3 13.996 -20.400 -5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.301 -19.093 -6.825 1.00 0.00 H new ATOM 43 N GLY A 4 10.930 -15.835 -6.452 1.00 0.00 N ATOM 44 CA GLY A 4 11.271 -14.490 -6.807 1.00 0.00 C ATOM 45 C GLY A 4 11.687 -14.409 -8.249 1.00 0.00 C ATOM 46 O GLY A 4 10.856 -14.202 -9.133 1.00 0.00 O ATOM 0 H GLY A 4 10.513 -16.379 -7.207 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.417 -13.835 -6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.081 -14.135 -6.170 1.00 0.00 H new ATOM 50 N SER A 5 12.964 -14.594 -8.496 1.00 0.00 N ATOM 51 CA SER A 5 13.471 -14.582 -9.842 1.00 0.00 C ATOM 52 C SER A 5 14.326 -15.814 -10.095 1.00 0.00 C ATOM 53 O SER A 5 15.133 -16.217 -9.249 1.00 0.00 O ATOM 54 CB SER A 5 14.286 -13.306 -10.094 1.00 0.00 C ATOM 55 OG SER A 5 14.732 -13.228 -11.439 1.00 0.00 O ATOM 0 H SER A 5 13.670 -14.755 -7.777 1.00 0.00 H new ATOM 0 HA SER A 5 12.627 -14.597 -10.532 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.677 -12.433 -9.861 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.145 -13.284 -9.423 1.00 0.00 H new ATOM 0 HG SER A 5 15.246 -12.403 -11.566 1.00 0.00 H new ATOM 61 N LYS A 6 14.123 -16.413 -11.242 1.00 0.00 N ATOM 62 CA LYS A 6 14.881 -17.556 -11.688 1.00 0.00 C ATOM 63 C LYS A 6 15.012 -17.427 -13.186 1.00 0.00 C ATOM 64 O LYS A 6 14.162 -16.795 -13.816 1.00 0.00 O ATOM 65 CB LYS A 6 14.159 -18.869 -11.315 1.00 0.00 C ATOM 66 CG LYS A 6 14.970 -20.131 -11.599 1.00 0.00 C ATOM 67 CD LYS A 6 14.282 -21.419 -11.122 1.00 0.00 C ATOM 68 CE LYS A 6 13.100 -21.830 -11.997 1.00 0.00 C ATOM 69 NZ LYS A 6 11.830 -21.162 -11.612 1.00 0.00 N ATOM 0 H LYS A 6 13.410 -16.113 -11.907 1.00 0.00 H new ATOM 0 HA LYS A 6 15.860 -17.586 -11.211 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.907 -18.843 -10.255 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.219 -18.923 -11.865 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.154 -20.202 -12.671 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.942 -20.046 -11.113 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.012 -22.228 -11.105 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.936 -21.280 -10.098 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.326 -21.595 -13.037 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.969 -22.910 -11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.192 -21.856 -11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.031 -20.399 -10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.377 -20.762 -12.459 1.00 0.00 H new ATOM 83 N TYR A 7 16.050 -17.995 -13.771 1.00 0.00 N ATOM 84 CA TYR A 7 16.228 -17.860 -15.202 1.00 0.00 C ATOM 85 C TYR A 7 15.320 -18.841 -15.929 1.00 0.00 C ATOM 86 O TYR A 7 15.723 -19.932 -16.314 1.00 0.00 O ATOM 87 CB TYR A 7 17.694 -18.046 -15.601 1.00 0.00 C ATOM 88 CG TYR A 7 18.620 -17.016 -14.991 1.00 0.00 C ATOM 89 CD1 TYR A 7 18.738 -15.752 -15.547 1.00 0.00 C ATOM 90 CD2 TYR A 7 19.368 -17.304 -13.852 1.00 0.00 C ATOM 91 CE1 TYR A 7 19.573 -14.806 -14.997 1.00 0.00 C ATOM 92 CE2 TYR A 7 20.209 -16.360 -13.295 1.00 0.00 C ATOM 93 CZ TYR A 7 20.303 -15.110 -13.872 1.00 0.00 C ATOM 94 OH TYR A 7 21.135 -14.161 -13.323 1.00 0.00 O ATOM 0 H TYR A 7 16.766 -18.541 -13.291 1.00 0.00 H new ATOM 0 HA TYR A 7 15.948 -16.848 -15.496 1.00 0.00 H new ATOM 0 HB2 TYR A 7 18.021 -19.041 -15.300 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.776 -17.999 -16.687 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.164 -15.505 -16.428 1.00 0.00 H new ATOM 0 HD2 TYR A 7 19.289 -18.280 -13.397 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.655 -13.828 -15.448 1.00 0.00 H new ATOM 0 HE2 TYR A 7 20.788 -16.598 -12.415 1.00 0.00 H new ATOM 0 HH TYR A 7 21.578 -14.533 -12.532 1.00 0.00 H new ATOM 104 N GLU A 8 14.075 -18.433 -16.071 1.00 0.00 N ATOM 105 CA GLU A 8 13.023 -19.250 -16.620 1.00 0.00 C ATOM 106 C GLU A 8 11.903 -18.350 -17.124 1.00 0.00 C ATOM 107 O GLU A 8 11.566 -17.362 -16.471 1.00 0.00 O ATOM 108 CB GLU A 8 12.490 -20.142 -15.511 1.00 0.00 C ATOM 109 CG GLU A 8 11.370 -21.078 -15.907 1.00 0.00 C ATOM 110 CD GLU A 8 10.888 -21.852 -14.718 1.00 0.00 C ATOM 111 OE1 GLU A 8 10.192 -21.256 -13.873 1.00 0.00 O ATOM 112 OE2 GLU A 8 11.236 -23.032 -14.584 1.00 0.00 O ATOM 0 H GLU A 8 13.764 -17.500 -15.800 1.00 0.00 H new ATOM 0 HA GLU A 8 13.400 -19.854 -17.445 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.315 -20.737 -15.119 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.139 -19.508 -14.696 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.546 -20.508 -16.336 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.718 -21.765 -16.679 1.00 0.00 H new ATOM 119 N CYS A 9 11.343 -18.682 -18.268 1.00 0.00 N ATOM 120 CA CYS A 9 10.237 -17.932 -18.839 1.00 0.00 C ATOM 121 C CYS A 9 8.943 -18.307 -18.128 1.00 0.00 C ATOM 122 O CYS A 9 8.498 -19.449 -18.218 1.00 0.00 O ATOM 123 CB CYS A 9 10.135 -18.252 -20.329 1.00 0.00 C ATOM 124 SG CYS A 9 8.723 -17.511 -21.217 1.00 0.00 S ATOM 0 H CYS A 9 11.640 -19.479 -18.831 1.00 0.00 H new ATOM 0 HA CYS A 9 10.408 -16.863 -18.712 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.055 -17.924 -20.814 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.082 -19.335 -20.444 1.00 0.00 H new ATOM 129 N PRO A 10 8.330 -17.365 -17.392 1.00 0.00 N ATOM 130 CA PRO A 10 7.100 -17.633 -16.632 1.00 0.00 C ATOM 131 C PRO A 10 5.909 -17.969 -17.528 1.00 0.00 C ATOM 132 O PRO A 10 4.939 -18.564 -17.077 1.00 0.00 O ATOM 133 CB PRO A 10 6.826 -16.299 -15.925 1.00 0.00 C ATOM 134 CG PRO A 10 8.127 -15.585 -15.933 1.00 0.00 C ATOM 135 CD PRO A 10 8.793 -15.984 -17.210 1.00 0.00 C ATOM 0 HA PRO A 10 7.225 -18.490 -15.970 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.059 -15.727 -16.446 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.469 -16.458 -14.907 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.983 -14.506 -15.886 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.733 -15.863 -15.071 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.495 -15.344 -18.040 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.879 -15.926 -17.136 1.00 0.00 H new ATOM 143 N ILE A 11 5.981 -17.574 -18.792 1.00 0.00 N ATOM 144 CA ILE A 11 4.900 -17.841 -19.732 1.00 0.00 C ATOM 145 C ILE A 11 4.766 -19.336 -20.038 1.00 0.00 C ATOM 146 O ILE A 11 3.665 -19.887 -20.047 1.00 0.00 O ATOM 147 CB ILE A 11 5.046 -17.013 -21.030 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.867 -15.527 -20.696 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.019 -17.450 -22.079 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.185 -14.592 -21.834 1.00 0.00 C ATOM 0 H ILE A 11 6.773 -17.069 -19.189 1.00 0.00 H new ATOM 0 HA ILE A 11 3.977 -17.524 -19.246 1.00 0.00 H new ATOM 0 HB ILE A 11 6.038 -17.180 -21.449 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.837 -15.359 -20.381 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.505 -15.278 -19.848 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.144 -16.852 -22.982 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.168 -18.503 -22.318 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.013 -17.307 -21.685 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.032 -13.562 -21.512 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.223 -14.727 -22.137 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.530 -14.810 -22.678 1.00 0.00 H new ATOM 162 N CYS A 12 5.889 -19.988 -20.265 1.00 0.00 N ATOM 163 CA CYS A 12 5.884 -21.398 -20.609 1.00 0.00 C ATOM 164 C CYS A 12 6.254 -22.257 -19.410 1.00 0.00 C ATOM 165 O CYS A 12 6.070 -23.473 -19.426 1.00 0.00 O ATOM 166 CB CYS A 12 6.855 -21.653 -21.756 1.00 0.00 C ATOM 167 SG CYS A 12 8.558 -21.077 -21.441 1.00 0.00 S ATOM 0 H CYS A 12 6.816 -19.566 -20.218 1.00 0.00 H new ATOM 0 HA CYS A 12 4.876 -21.671 -20.920 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.879 -22.722 -21.966 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.477 -21.161 -22.652 1.00 0.00 H new ATOM 172 N LEU A 13 6.775 -21.603 -18.369 1.00 0.00 N ATOM 173 CA LEU A 13 7.293 -22.262 -17.158 1.00 0.00 C ATOM 174 C LEU A 13 8.347 -23.330 -17.497 1.00 0.00 C ATOM 175 O LEU A 13 8.583 -24.252 -16.714 1.00 0.00 O ATOM 176 CB LEU A 13 6.161 -22.893 -16.308 1.00 0.00 C ATOM 177 CG LEU A 13 5.115 -21.939 -15.699 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.048 -21.573 -16.717 1.00 0.00 C ATOM 179 CD2 LEU A 13 4.487 -22.543 -14.458 1.00 0.00 C ATOM 0 H LEU A 13 6.852 -20.586 -18.339 1.00 0.00 H new ATOM 0 HA LEU A 13 7.768 -21.479 -16.567 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.635 -23.616 -16.931 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.623 -23.451 -15.493 1.00 0.00 H new ATOM 0 HG LEU A 13 5.631 -21.024 -15.408 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.324 -20.899 -16.259 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.513 -21.080 -17.570 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.540 -22.477 -17.053 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.753 -21.850 -14.048 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.995 -23.480 -14.718 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.261 -22.734 -13.715 1.00 0.00 H new ATOM 191 N MET A 14 8.986 -23.201 -18.660 1.00 0.00 N ATOM 192 CA MET A 14 10.015 -24.149 -19.059 1.00 0.00 C ATOM 193 C MET A 14 11.410 -23.603 -18.805 1.00 0.00 C ATOM 194 O MET A 14 12.103 -24.053 -17.898 1.00 0.00 O ATOM 195 CB MET A 14 9.890 -24.546 -20.532 1.00 0.00 C ATOM 196 CG MET A 14 8.641 -25.330 -20.879 1.00 0.00 C ATOM 197 SD MET A 14 8.654 -25.896 -22.592 1.00 0.00 S ATOM 198 CE MET A 14 8.570 -24.342 -23.474 1.00 0.00 C ATOM 0 H MET A 14 8.809 -22.456 -19.333 1.00 0.00 H new ATOM 0 HA MET A 14 9.863 -25.036 -18.444 1.00 0.00 H new ATOM 0 HB2 MET A 14 9.914 -23.642 -21.140 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.762 -25.139 -20.808 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.556 -26.189 -20.214 1.00 0.00 H new ATOM 0 HG3 MET A 14 7.763 -24.707 -20.709 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.239 -24.375 -24.334 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.549 -24.172 -23.815 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.871 -23.531 -22.811 1.00 0.00 H new ATOM 208 N ALA A 15 11.802 -22.616 -19.603 1.00 0.00 N ATOM 209 CA ALA A 15 13.145 -22.048 -19.554 1.00 0.00 C ATOM 210 C ALA A 15 13.205 -20.835 -20.464 1.00 0.00 C ATOM 211 O ALA A 15 12.313 -20.643 -21.279 1.00 0.00 O ATOM 212 CB ALA A 15 14.169 -23.087 -20.004 1.00 0.00 C ATOM 0 H ALA A 15 11.197 -22.186 -20.303 1.00 0.00 H new ATOM 0 HA ALA A 15 13.377 -21.750 -18.531 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.168 -22.654 -19.964 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.122 -23.953 -19.344 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.948 -23.397 -21.026 1.00 0.00 H new ATOM 218 N LEU A 16 14.238 -20.023 -20.322 1.00 0.00 N ATOM 219 CA LEU A 16 14.429 -18.850 -21.172 1.00 0.00 C ATOM 220 C LEU A 16 15.214 -19.257 -22.400 1.00 0.00 C ATOM 221 O LEU A 16 16.391 -19.597 -22.294 1.00 0.00 O ATOM 222 CB LEU A 16 15.223 -17.775 -20.416 1.00 0.00 C ATOM 223 CG LEU A 16 14.551 -17.152 -19.197 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.527 -16.261 -18.448 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.353 -16.339 -19.630 1.00 0.00 C ATOM 0 H LEU A 16 14.967 -20.153 -19.620 1.00 0.00 H new ATOM 0 HA LEU A 16 13.455 -18.450 -21.455 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.168 -18.214 -20.096 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.464 -16.975 -21.117 1.00 0.00 H new ATOM 0 HG LEU A 16 14.226 -17.953 -18.534 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.030 -15.825 -17.581 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.380 -16.853 -18.117 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.872 -15.464 -19.107 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.878 -15.897 -18.754 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.676 -15.547 -20.306 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.640 -16.986 -20.142 1.00 0.00 H new ATOM 237 N ARG A 17 14.571 -19.272 -23.552 1.00 0.00 N ATOM 238 CA ARG A 17 15.272 -19.659 -24.766 1.00 0.00 C ATOM 239 C ARG A 17 16.295 -18.595 -25.202 1.00 0.00 C ATOM 240 O ARG A 17 17.437 -18.921 -25.532 1.00 0.00 O ATOM 241 CB ARG A 17 14.294 -19.986 -25.897 1.00 0.00 C ATOM 242 CG ARG A 17 14.976 -20.499 -27.153 1.00 0.00 C ATOM 243 CD ARG A 17 13.969 -20.892 -28.219 1.00 0.00 C ATOM 244 NE ARG A 17 13.211 -19.747 -28.715 1.00 0.00 N ATOM 245 CZ ARG A 17 12.146 -19.832 -29.500 1.00 0.00 C ATOM 246 NH1 ARG A 17 11.639 -21.015 -29.824 1.00 0.00 N ATOM 247 NH2 ARG A 17 11.585 -18.728 -29.954 1.00 0.00 N ATOM 0 H ARG A 17 13.588 -19.028 -23.675 1.00 0.00 H new ATOM 0 HA ARG A 17 15.829 -20.567 -24.537 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.582 -20.734 -25.547 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.722 -19.092 -26.143 1.00 0.00 H new ATOM 0 HG2 ARG A 17 15.640 -19.730 -27.546 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.597 -21.360 -26.904 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.490 -21.367 -29.050 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.280 -21.631 -27.810 1.00 0.00 H new ATOM 0 HE ARG A 17 13.523 -18.816 -28.438 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.069 -21.869 -29.468 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.819 -21.070 -30.429 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.971 -17.818 -29.701 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.765 -18.784 -30.559 1.00 0.00 H new ATOM 261 N GLU A 18 15.887 -17.326 -25.197 1.00 0.00 N ATOM 262 CA GLU A 18 16.814 -16.245 -25.529 1.00 0.00 C ATOM 263 C GLU A 18 17.025 -15.354 -24.323 1.00 0.00 C ATOM 264 O GLU A 18 18.013 -14.619 -24.246 1.00 0.00 O ATOM 265 CB GLU A 18 16.255 -15.362 -26.654 1.00 0.00 C ATOM 266 CG GLU A 18 15.880 -16.077 -27.940 1.00 0.00 C ATOM 267 CD GLU A 18 14.478 -16.657 -27.897 1.00 0.00 C ATOM 268 OE1 GLU A 18 13.810 -16.566 -26.837 1.00 0.00 O ATOM 269 OE2 GLU A 18 14.010 -17.163 -28.937 1.00 0.00 O ATOM 0 H GLU A 18 14.939 -17.025 -24.971 1.00 0.00 H new ATOM 0 HA GLU A 18 17.749 -16.707 -25.846 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.372 -14.846 -26.278 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.995 -14.597 -26.890 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.955 -15.380 -28.774 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.595 -16.878 -28.128 1.00 0.00 H new ATOM 276 N ALA A 19 16.107 -15.461 -23.365 1.00 0.00 N ATOM 277 CA ALA A 19 16.073 -14.599 -22.188 1.00 0.00 C ATOM 278 C ALA A 19 16.011 -13.113 -22.571 1.00 0.00 C ATOM 279 O ALA A 19 17.033 -12.427 -22.597 1.00 0.00 O ATOM 280 CB ALA A 19 17.257 -14.869 -21.262 1.00 0.00 C ATOM 0 H ALA A 19 15.360 -16.155 -23.385 1.00 0.00 H new ATOM 0 HA ALA A 19 15.159 -14.840 -21.646 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.200 -14.209 -20.396 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.230 -15.907 -20.930 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.188 -14.684 -21.798 1.00 0.00 H new ATOM 286 N VAL A 20 14.817 -12.627 -22.888 1.00 0.00 N ATOM 287 CA VAL A 20 14.643 -11.213 -23.190 1.00 0.00 C ATOM 288 C VAL A 20 14.139 -10.467 -21.974 1.00 0.00 C ATOM 289 O VAL A 20 13.071 -10.776 -21.424 1.00 0.00 O ATOM 290 CB VAL A 20 13.745 -10.921 -24.432 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.409 -11.422 -25.698 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.346 -11.511 -24.288 1.00 0.00 C ATOM 0 H VAL A 20 13.964 -13.184 -22.942 1.00 0.00 H new ATOM 0 HA VAL A 20 15.634 -10.848 -23.460 1.00 0.00 H new ATOM 0 HB VAL A 20 13.629 -9.839 -24.497 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.768 -11.210 -26.554 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.368 -10.920 -25.829 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.570 -12.497 -25.623 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.760 -11.280 -25.178 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.417 -12.592 -24.171 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.859 -11.083 -23.412 1.00 0.00 H new ATOM 302 N GLN A 21 14.943 -9.545 -21.516 1.00 0.00 N ATOM 303 CA GLN A 21 14.622 -8.765 -20.352 1.00 0.00 C ATOM 304 C GLN A 21 13.675 -7.627 -20.697 1.00 0.00 C ATOM 305 O GLN A 21 13.780 -7.018 -21.768 1.00 0.00 O ATOM 306 CB GLN A 21 15.891 -8.220 -19.707 1.00 0.00 C ATOM 307 CG GLN A 21 15.656 -7.486 -18.403 1.00 0.00 C ATOM 308 CD GLN A 21 16.935 -6.986 -17.775 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.000 -7.591 -17.922 1.00 0.00 O ATOM 310 NE2 GLN A 21 16.846 -5.870 -17.084 1.00 0.00 N ATOM 0 H GLN A 21 15.841 -9.314 -21.941 1.00 0.00 H new ATOM 0 HA GLN A 21 14.119 -9.419 -19.640 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.578 -9.047 -19.527 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.381 -7.545 -20.408 1.00 0.00 H new ATOM 0 HG2 GLN A 21 14.990 -6.642 -18.581 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.149 -8.150 -17.704 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.946 -5.401 -16.987 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.677 -5.474 -16.646 1.00 0.00 H new ATOM 319 N THR A 22 12.747 -7.382 -19.813 1.00 0.00 N ATOM 320 CA THR A 22 11.890 -6.234 -19.880 1.00 0.00 C ATOM 321 C THR A 22 12.474 -5.149 -18.968 1.00 0.00 C ATOM 322 O THR A 22 13.233 -5.470 -18.040 1.00 0.00 O ATOM 323 CB THR A 22 10.477 -6.608 -19.384 1.00 0.00 C ATOM 324 OG1 THR A 22 10.561 -7.126 -18.047 1.00 0.00 O ATOM 325 CG2 THR A 22 9.862 -7.663 -20.285 1.00 0.00 C ATOM 0 H THR A 22 12.563 -7.986 -19.012 1.00 0.00 H new ATOM 0 HA THR A 22 11.823 -5.877 -20.908 1.00 0.00 H new ATOM 0 HB THR A 22 9.853 -5.715 -19.401 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.755 -6.877 -17.548 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.866 -7.916 -19.922 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.790 -7.276 -21.302 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.488 -8.556 -20.280 1.00 0.00 H new ATOM 333 N PRO A 23 12.149 -3.863 -19.209 1.00 0.00 N ATOM 334 CA PRO A 23 12.627 -2.742 -18.372 1.00 0.00 C ATOM 335 C PRO A 23 12.298 -2.933 -16.890 1.00 0.00 C ATOM 336 O PRO A 23 13.103 -2.590 -16.019 1.00 0.00 O ATOM 337 CB PRO A 23 11.852 -1.547 -18.919 1.00 0.00 C ATOM 338 CG PRO A 23 11.567 -1.905 -20.327 1.00 0.00 C ATOM 339 CD PRO A 23 11.317 -3.385 -20.331 1.00 0.00 C ATOM 0 HA PRO A 23 13.711 -2.639 -18.418 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.933 -1.379 -18.358 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.437 -0.630 -18.853 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.699 -1.361 -20.701 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.407 -1.649 -20.973 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.263 -3.617 -20.180 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.612 -3.842 -21.276 1.00 0.00 H new ATOM 347 N CYS A 24 11.120 -3.490 -16.608 1.00 0.00 N ATOM 348 CA CYS A 24 10.688 -3.716 -15.237 1.00 0.00 C ATOM 349 C CYS A 24 11.585 -4.737 -14.513 1.00 0.00 C ATOM 350 O CYS A 24 11.598 -4.811 -13.284 1.00 0.00 O ATOM 351 CB CYS A 24 9.224 -4.155 -15.202 1.00 0.00 C ATOM 352 SG CYS A 24 8.845 -5.596 -16.250 1.00 0.00 S ATOM 0 H CYS A 24 10.450 -3.792 -17.315 1.00 0.00 H new ATOM 0 HA CYS A 24 10.781 -2.770 -14.703 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.952 -4.388 -14.173 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.599 -3.319 -15.515 1.00 0.00 H new ATOM 357 N GLY A 25 12.331 -5.517 -15.279 1.00 0.00 N ATOM 358 CA GLY A 25 13.262 -6.449 -14.685 1.00 0.00 C ATOM 359 C GLY A 25 12.776 -7.883 -14.706 1.00 0.00 C ATOM 360 O GLY A 25 13.050 -8.649 -13.783 1.00 0.00 O ATOM 0 H GLY A 25 12.308 -5.521 -16.299 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.213 -6.388 -15.214 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.452 -6.153 -13.653 1.00 0.00 H new ATOM 364 N HIS A 26 12.050 -8.247 -15.739 1.00 0.00 N ATOM 365 CA HIS A 26 11.575 -9.618 -15.893 1.00 0.00 C ATOM 366 C HIS A 26 12.110 -10.200 -17.183 1.00 0.00 C ATOM 367 O HIS A 26 12.397 -9.465 -18.117 1.00 0.00 O ATOM 368 CB HIS A 26 10.041 -9.682 -15.880 1.00 0.00 C ATOM 369 CG HIS A 26 9.434 -9.265 -14.582 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.504 -8.240 -14.463 1.00 0.00 N ATOM 371 CD2 HIS A 26 9.635 -9.730 -13.329 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.171 -8.113 -13.190 1.00 0.00 C ATOM 373 NE2 HIS A 26 8.839 -8.999 -12.490 1.00 0.00 N ATOM 0 H HIS A 26 11.771 -7.616 -16.491 1.00 0.00 H new ATOM 0 HA HIS A 26 11.940 -10.204 -15.050 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.653 -9.044 -16.674 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.727 -10.701 -16.107 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.138 -7.678 -15.231 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.301 -10.531 -13.043 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.466 -7.398 -12.792 1.00 0.00 H new ATOM 380 N ARG A 27 12.273 -11.503 -17.234 1.00 0.00 N ATOM 381 CA ARG A 27 12.755 -12.139 -18.446 1.00 0.00 C ATOM 382 C ARG A 27 11.805 -13.195 -18.960 1.00 0.00 C ATOM 383 O ARG A 27 11.245 -13.981 -18.194 1.00 0.00 O ATOM 384 CB ARG A 27 14.168 -12.697 -18.266 1.00 0.00 C ATOM 385 CG ARG A 27 15.242 -11.626 -18.175 1.00 0.00 C ATOM 386 CD ARG A 27 16.603 -12.233 -17.921 1.00 0.00 C ATOM 387 NE ARG A 27 17.671 -11.231 -17.954 1.00 0.00 N ATOM 388 CZ ARG A 27 18.644 -11.121 -17.054 1.00 0.00 C ATOM 389 NH1 ARG A 27 18.582 -11.805 -15.920 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.641 -10.270 -17.254 1.00 0.00 N ATOM 0 H ARG A 27 12.082 -12.140 -16.461 1.00 0.00 H new ATOM 0 HA ARG A 27 12.802 -11.361 -19.208 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.196 -13.305 -17.362 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.397 -13.358 -19.102 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.265 -11.051 -19.101 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.997 -10.929 -17.373 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.602 -12.729 -16.950 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.803 -12.999 -18.670 1.00 0.00 H new ATOM 0 HE ARG A 27 17.668 -10.566 -18.727 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.787 -12.417 -15.736 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.329 -11.719 -15.231 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.662 -9.699 -18.099 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.387 -10.187 -16.563 1.00 0.00 H new ATOM 404 N PHE A 28 11.636 -13.197 -20.264 1.00 0.00 N ATOM 405 CA PHE A 28 10.736 -14.095 -20.965 1.00 0.00 C ATOM 406 C PHE A 28 11.443 -14.603 -22.213 1.00 0.00 C ATOM 407 O PHE A 28 12.526 -14.114 -22.548 1.00 0.00 O ATOM 408 CB PHE A 28 9.469 -13.332 -21.383 1.00 0.00 C ATOM 409 CG PHE A 28 8.686 -12.741 -20.239 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.719 -13.480 -19.585 1.00 0.00 C ATOM 411 CD2 PHE A 28 8.921 -11.439 -19.821 1.00 0.00 C ATOM 412 CE1 PHE A 28 6.998 -12.936 -18.536 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.207 -10.889 -18.776 1.00 0.00 C ATOM 414 CZ PHE A 28 7.243 -11.638 -18.132 1.00 0.00 C ATOM 0 H PHE A 28 12.133 -12.558 -20.885 1.00 0.00 H new ATOM 0 HA PHE A 28 10.459 -14.926 -20.317 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.752 -12.530 -22.065 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.820 -14.009 -21.939 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.523 -14.495 -19.896 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.674 -10.847 -20.321 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.245 -13.526 -18.034 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.402 -9.874 -18.463 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.682 -11.210 -17.314 1.00 0.00 H new ATOM 424 N CYS A 29 10.884 -15.594 -22.874 1.00 0.00 N ATOM 425 CA CYS A 29 11.412 -15.994 -24.166 1.00 0.00 C ATOM 426 C CYS A 29 10.972 -14.989 -25.220 1.00 0.00 C ATOM 427 O CYS A 29 9.905 -14.375 -25.098 1.00 0.00 O ATOM 428 CB CYS A 29 10.932 -17.382 -24.552 1.00 0.00 C ATOM 429 SG CYS A 29 11.412 -18.693 -23.397 1.00 0.00 S ATOM 0 H CYS A 29 10.080 -16.130 -22.549 1.00 0.00 H new ATOM 0 HA CYS A 29 12.500 -16.019 -24.102 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.845 -17.367 -24.633 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.322 -17.625 -25.540 1.00 0.00 H new ATOM 434 N LYS A 30 11.770 -14.837 -26.256 1.00 0.00 N ATOM 435 CA LYS A 30 11.538 -13.818 -27.278 1.00 0.00 C ATOM 436 C LYS A 30 10.314 -14.142 -28.151 1.00 0.00 C ATOM 437 O LYS A 30 9.895 -13.337 -28.977 1.00 0.00 O ATOM 438 CB LYS A 30 12.801 -13.602 -28.124 1.00 0.00 C ATOM 439 CG LYS A 30 12.709 -12.471 -29.146 1.00 0.00 C ATOM 440 CD LYS A 30 14.013 -12.308 -29.894 1.00 0.00 C ATOM 441 CE LYS A 30 13.939 -11.189 -30.926 1.00 0.00 C ATOM 442 NZ LYS A 30 13.659 -9.864 -30.320 1.00 0.00 N ATOM 0 H LYS A 30 12.597 -15.411 -26.420 1.00 0.00 H new ATOM 0 HA LYS A 30 11.312 -12.882 -26.766 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.638 -13.400 -27.455 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.030 -14.529 -28.650 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.905 -12.678 -29.852 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.457 -11.539 -28.640 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.814 -12.096 -29.186 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.266 -13.244 -30.391 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.881 -11.142 -31.472 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.161 -11.422 -31.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.786 -9.121 -31.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.680 -9.843 -29.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.314 -9.699 -29.529 1.00 0.00 H new ATOM 456 N ALA A 31 9.730 -15.305 -27.954 1.00 0.00 N ATOM 457 CA ALA A 31 8.565 -15.689 -28.726 1.00 0.00 C ATOM 458 C ALA A 31 7.350 -15.789 -27.828 1.00 0.00 C ATOM 459 O ALA A 31 6.238 -15.451 -28.235 1.00 0.00 O ATOM 460 CB ALA A 31 8.804 -17.017 -29.425 1.00 0.00 C ATOM 0 H ALA A 31 10.039 -15.997 -27.271 1.00 0.00 H new ATOM 0 HA ALA A 31 8.385 -14.924 -29.481 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.919 -17.290 -30.000 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.659 -16.927 -30.095 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.006 -17.788 -28.682 1.00 0.00 H new ATOM 466 N CYS A 32 7.566 -16.216 -26.594 1.00 0.00 N ATOM 467 CA CYS A 32 6.497 -16.302 -25.626 1.00 0.00 C ATOM 468 C CYS A 32 5.942 -14.915 -25.314 1.00 0.00 C ATOM 469 O CYS A 32 4.725 -14.711 -25.274 1.00 0.00 O ATOM 470 CB CYS A 32 7.000 -16.964 -24.343 1.00 0.00 C ATOM 471 SG CYS A 32 7.771 -18.597 -24.579 1.00 0.00 S ATOM 0 H CYS A 32 8.478 -16.508 -26.243 1.00 0.00 H new ATOM 0 HA CYS A 32 5.697 -16.909 -26.050 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.724 -16.301 -23.868 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.163 -17.069 -23.653 1.00 0.00 H new ATOM 476 N ILE A 33 6.836 -13.958 -25.112 1.00 0.00 N ATOM 477 CA ILE A 33 6.422 -12.618 -24.744 1.00 0.00 C ATOM 478 C ILE A 33 5.632 -11.951 -25.878 1.00 0.00 C ATOM 479 O ILE A 33 4.620 -11.308 -25.631 1.00 0.00 O ATOM 480 CB ILE A 33 7.620 -11.726 -24.298 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.123 -10.424 -23.652 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.567 -11.426 -25.460 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.371 -10.634 -22.353 1.00 0.00 C ATOM 0 H ILE A 33 7.844 -14.086 -25.197 1.00 0.00 H new ATOM 0 HA ILE A 33 5.764 -12.719 -23.881 1.00 0.00 H new ATOM 0 HB ILE A 33 8.183 -12.288 -23.553 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.977 -9.773 -23.465 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.474 -9.904 -24.357 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.388 -10.802 -25.108 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.965 -12.360 -25.856 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.024 -10.901 -26.246 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.052 -9.670 -21.957 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.497 -11.259 -22.536 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.023 -11.125 -21.630 1.00 0.00 H new ATOM 495 N ILE A 34 6.068 -12.160 -27.119 1.00 0.00 N ATOM 496 CA ILE A 34 5.412 -11.562 -28.273 1.00 0.00 C ATOM 497 C ILE A 34 3.983 -12.066 -28.411 1.00 0.00 C ATOM 498 O ILE A 34 3.056 -11.283 -28.631 1.00 0.00 O ATOM 499 CB ILE A 34 6.197 -11.752 -29.599 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.512 -10.960 -29.553 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.357 -11.308 -30.801 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.400 -11.175 -30.761 1.00 0.00 C ATOM 0 H ILE A 34 6.875 -12.741 -27.348 1.00 0.00 H new ATOM 0 HA ILE A 34 5.391 -10.489 -28.084 1.00 0.00 H new ATOM 0 HB ILE A 34 6.423 -12.812 -29.713 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.282 -9.898 -29.467 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.063 -11.240 -28.655 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.929 -11.451 -31.718 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.444 -11.902 -30.847 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.099 -10.254 -30.695 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.309 -10.583 -30.655 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.662 -12.230 -30.837 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.869 -10.867 -31.662 1.00 0.00 H new ATOM 514 N LYS A 35 3.787 -13.358 -28.210 1.00 0.00 N ATOM 515 CA LYS A 35 2.472 -13.955 -28.403 1.00 0.00 C ATOM 516 C LYS A 35 1.570 -13.654 -27.209 1.00 0.00 C ATOM 517 O LYS A 35 0.387 -14.000 -27.209 1.00 0.00 O ATOM 518 CB LYS A 35 2.585 -15.470 -28.556 1.00 0.00 C ATOM 519 CG LYS A 35 3.398 -15.956 -29.743 1.00 0.00 C ATOM 520 CD LYS A 35 2.783 -15.529 -31.064 1.00 0.00 C ATOM 521 CE LYS A 35 3.561 -16.101 -32.234 1.00 0.00 C ATOM 522 NZ LYS A 35 3.524 -17.588 -32.241 1.00 0.00 N ATOM 0 H LYS A 35 4.513 -14.011 -27.916 1.00 0.00 H new ATOM 0 HA LYS A 35 2.043 -13.527 -29.309 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.027 -15.876 -27.646 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.580 -15.884 -28.634 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.413 -15.565 -29.672 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.472 -17.043 -29.712 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.747 -15.864 -31.112 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.769 -14.441 -31.128 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.146 -15.722 -33.168 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.596 -15.762 -32.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.788 -17.937 -33.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.194 -17.955 -31.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.564 -17.912 -32.008 1.00 0.00 H new ATOM 536 N SER A 36 2.117 -12.976 -26.221 1.00 0.00 N ATOM 537 CA SER A 36 1.349 -12.591 -25.069 1.00 0.00 C ATOM 538 C SER A 36 1.035 -11.100 -25.126 1.00 0.00 C ATOM 539 O SER A 36 0.016 -10.653 -24.603 1.00 0.00 O ATOM 540 CB SER A 36 2.131 -12.916 -23.798 1.00 0.00 C ATOM 541 OG SER A 36 2.489 -14.289 -23.769 1.00 0.00 O ATOM 0 H SER A 36 3.094 -12.682 -26.199 1.00 0.00 H new ATOM 0 HA SER A 36 0.411 -13.146 -25.061 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.029 -12.300 -23.749 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.529 -12.673 -22.922 1.00 0.00 H new ATOM 0 HG SER A 36 3.200 -14.456 -24.423 1.00 0.00 H new ATOM 547 N ILE A 37 1.871 -10.331 -25.820 1.00 0.00 N ATOM 548 CA ILE A 37 1.695 -8.885 -25.817 1.00 0.00 C ATOM 549 C ILE A 37 1.075 -8.366 -27.106 1.00 0.00 C ATOM 550 O ILE A 37 0.678 -7.210 -27.179 1.00 0.00 O ATOM 551 CB ILE A 37 3.013 -8.124 -25.523 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.078 -8.433 -26.590 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.522 -8.469 -24.128 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.349 -7.616 -26.460 1.00 0.00 C ATOM 0 H ILE A 37 2.655 -10.674 -26.376 1.00 0.00 H new ATOM 0 HA ILE A 37 0.999 -8.687 -25.002 1.00 0.00 H new ATOM 0 HB ILE A 37 2.808 -7.054 -25.560 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.333 -9.491 -26.535 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.648 -8.259 -27.576 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.448 -7.928 -23.934 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.774 -8.185 -23.387 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.708 -9.541 -24.063 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.045 -7.897 -27.251 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.111 -6.556 -26.546 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.807 -7.807 -25.489 1.00 0.00 H new ATOM 566 N ARG A 38 0.972 -9.214 -28.119 1.00 0.00 N ATOM 567 CA ARG A 38 0.306 -8.789 -29.348 1.00 0.00 C ATOM 568 C ARG A 38 -1.166 -9.163 -29.341 1.00 0.00 C ATOM 569 O ARG A 38 -1.939 -8.674 -30.163 1.00 0.00 O ATOM 570 CB ARG A 38 0.962 -9.351 -30.619 1.00 0.00 C ATOM 571 CG ARG A 38 0.895 -10.866 -30.750 1.00 0.00 C ATOM 572 CD ARG A 38 1.267 -11.304 -32.151 1.00 0.00 C ATOM 573 NE ARG A 38 0.202 -10.980 -33.113 1.00 0.00 N ATOM 574 CZ ARG A 38 0.344 -10.969 -34.440 1.00 0.00 C ATOM 575 NH1 ARG A 38 1.528 -11.196 -34.988 1.00 0.00 N ATOM 576 NH2 ARG A 38 -0.704 -10.738 -35.219 1.00 0.00 N ATOM 0 H ARG A 38 1.327 -10.170 -28.121 1.00 0.00 H new ATOM 0 HA ARG A 38 0.410 -7.704 -29.371 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.482 -8.903 -31.489 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.008 -9.044 -30.639 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.570 -11.328 -30.029 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.111 -11.212 -30.512 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.194 -10.816 -32.453 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.455 -12.378 -32.161 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.716 -10.746 -32.736 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.337 -11.381 -34.395 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.631 -11.186 -36.003 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.620 -10.568 -34.804 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.594 -10.730 -36.233 1.00 0.00 H new ATOM 590 N ASP A 39 -1.564 -10.030 -28.425 1.00 0.00 N ATOM 591 CA ASP A 39 -2.927 -10.542 -28.469 1.00 0.00 C ATOM 592 C ASP A 39 -3.609 -10.470 -27.115 1.00 0.00 C ATOM 593 O ASP A 39 -4.671 -9.863 -26.985 1.00 0.00 O ATOM 594 CB ASP A 39 -2.939 -11.981 -28.976 1.00 0.00 C ATOM 595 CG ASP A 39 -4.329 -12.448 -29.331 1.00 0.00 C ATOM 596 OD1 ASP A 39 -4.753 -12.238 -30.491 1.00 0.00 O ATOM 597 OD2 ASP A 39 -5.017 -13.015 -28.466 1.00 0.00 O ATOM 0 H ASP A 39 -0.986 -10.386 -27.664 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.485 -9.907 -29.157 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.296 -12.061 -29.852 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.521 -12.637 -28.213 1.00 0.00 H new ATOM 602 N ALA A 40 -3.000 -11.083 -26.110 1.00 0.00 N ATOM 603 CA ALA A 40 -3.581 -11.106 -24.776 1.00 0.00 C ATOM 604 C ALA A 40 -3.577 -9.713 -24.158 1.00 0.00 C ATOM 605 O ALA A 40 -4.630 -9.107 -23.958 1.00 0.00 O ATOM 606 CB ALA A 40 -2.832 -12.092 -23.890 1.00 0.00 C ATOM 0 H ALA A 40 -2.107 -11.569 -26.193 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.617 -11.433 -24.858 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.278 -12.099 -22.895 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.895 -13.091 -24.323 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.786 -11.794 -23.817 1.00 0.00 H new ATOM 612 N GLY A 41 -2.398 -9.199 -23.895 1.00 0.00 N ATOM 613 CA GLY A 41 -2.279 -7.887 -23.313 1.00 0.00 C ATOM 614 C GLY A 41 -0.917 -7.314 -23.566 1.00 0.00 C ATOM 615 O GLY A 41 0.080 -8.011 -23.427 1.00 0.00 O ATOM 0 H GLY A 41 -1.511 -9.670 -24.075 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.039 -7.228 -23.732 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.462 -7.942 -22.240 1.00 0.00 H new ATOM 619 N HIS A 42 -0.858 -6.046 -23.916 1.00 0.00 N ATOM 620 CA HIS A 42 0.401 -5.403 -24.289 1.00 0.00 C ATOM 621 C HIS A 42 1.135 -4.904 -23.035 1.00 0.00 C ATOM 622 O HIS A 42 1.681 -3.799 -22.997 1.00 0.00 O ATOM 623 CB HIS A 42 0.123 -4.254 -25.261 1.00 0.00 C ATOM 624 CG HIS A 42 1.326 -3.788 -26.018 1.00 0.00 C ATOM 625 ND1 HIS A 42 1.652 -2.466 -26.181 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.270 -4.486 -26.692 1.00 0.00 C ATOM 627 CE1 HIS A 42 2.735 -2.368 -26.915 1.00 0.00 C ATOM 628 NE2 HIS A 42 3.129 -3.577 -27.236 1.00 0.00 N ATOM 0 H HIS A 42 -1.670 -5.430 -23.952 1.00 0.00 H new ATOM 0 HA HIS A 42 1.045 -6.128 -24.786 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -0.640 -4.571 -25.972 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -0.290 -3.413 -24.704 1.00 0.00 H new ATOM 0 HD2 HIS A 42 2.331 -5.560 -26.782 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.220 -1.448 -27.206 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.947 -3.802 -27.802 1.00 0.00 H new ATOM 637 N LYS A 43 1.144 -5.741 -22.032 1.00 0.00 N ATOM 638 CA LYS A 43 1.794 -5.481 -20.773 1.00 0.00 C ATOM 639 C LYS A 43 2.287 -6.799 -20.216 1.00 0.00 C ATOM 640 O LYS A 43 1.745 -7.850 -20.566 1.00 0.00 O ATOM 641 CB LYS A 43 0.815 -4.809 -19.793 1.00 0.00 C ATOM 642 CG LYS A 43 -0.468 -5.588 -19.533 1.00 0.00 C ATOM 643 CD LYS A 43 -1.361 -4.845 -18.549 1.00 0.00 C ATOM 644 CE LYS A 43 -2.655 -5.599 -18.270 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.552 -5.640 -19.453 1.00 0.00 N ATOM 0 H LYS A 43 0.685 -6.651 -22.069 1.00 0.00 H new ATOM 0 HA LYS A 43 2.635 -4.802 -20.917 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.326 -4.651 -18.843 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.553 -3.825 -20.182 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.002 -5.742 -20.471 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.226 -6.575 -19.138 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.822 -4.692 -17.614 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.595 -3.858 -18.947 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.420 -6.617 -17.960 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.176 -5.125 -17.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.453 -6.088 -19.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.732 -4.671 -19.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.101 -6.189 -20.212 1.00 0.00 H new ATOM 659 N CYS A 44 3.304 -6.769 -19.378 1.00 0.00 N ATOM 660 CA CYS A 44 3.792 -7.996 -18.792 1.00 0.00 C ATOM 661 C CYS A 44 2.836 -8.477 -17.705 1.00 0.00 C ATOM 662 O CYS A 44 2.487 -7.730 -16.795 1.00 0.00 O ATOM 663 CB CYS A 44 5.225 -7.833 -18.265 1.00 0.00 C ATOM 664 SG CYS A 44 5.462 -6.426 -17.146 1.00 0.00 S ATOM 0 H CYS A 44 3.799 -5.924 -19.093 1.00 0.00 H new ATOM 0 HA CYS A 44 3.829 -8.760 -19.568 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.513 -8.747 -17.745 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.900 -7.723 -19.114 1.00 0.00 H new ATOM 669 N PRO A 45 2.396 -9.737 -17.799 1.00 0.00 N ATOM 670 CA PRO A 45 1.354 -10.288 -16.918 1.00 0.00 C ATOM 671 C PRO A 45 1.764 -10.340 -15.443 1.00 0.00 C ATOM 672 O PRO A 45 0.911 -10.302 -14.551 1.00 0.00 O ATOM 673 CB PRO A 45 1.134 -11.705 -17.474 1.00 0.00 C ATOM 674 CG PRO A 45 2.399 -12.029 -18.197 1.00 0.00 C ATOM 675 CD PRO A 45 2.876 -10.732 -18.776 1.00 0.00 C ATOM 0 HA PRO A 45 0.460 -9.664 -16.921 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.942 -12.419 -16.673 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.275 -11.738 -18.144 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.141 -12.452 -17.519 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.225 -12.767 -18.980 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.961 -10.709 -18.876 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.461 -10.556 -19.768 1.00 0.00 H new ATOM 683 N VAL A 46 3.068 -10.403 -15.202 1.00 0.00 N ATOM 684 CA VAL A 46 3.602 -10.558 -13.856 1.00 0.00 C ATOM 685 C VAL A 46 3.285 -9.348 -12.954 1.00 0.00 C ATOM 686 O VAL A 46 2.797 -9.513 -11.838 1.00 0.00 O ATOM 687 CB VAL A 46 5.136 -10.799 -13.893 1.00 0.00 C ATOM 688 CG1 VAL A 46 5.721 -10.857 -12.488 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.457 -12.084 -14.648 1.00 0.00 C ATOM 0 H VAL A 46 3.781 -10.348 -15.930 1.00 0.00 H new ATOM 0 HA VAL A 46 3.110 -11.430 -13.426 1.00 0.00 H new ATOM 0 HB VAL A 46 5.591 -9.958 -14.416 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.796 -11.027 -12.548 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.531 -9.914 -11.975 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.256 -11.672 -11.933 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.536 -12.237 -14.664 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.978 -12.928 -14.151 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.086 -12.008 -15.670 1.00 0.00 H new ATOM 699 N ASP A 47 3.552 -8.145 -13.439 1.00 0.00 N ATOM 700 CA ASP A 47 3.334 -6.933 -12.631 1.00 0.00 C ATOM 701 C ASP A 47 2.571 -5.847 -13.391 1.00 0.00 C ATOM 702 O ASP A 47 2.500 -4.700 -12.945 1.00 0.00 O ATOM 703 CB ASP A 47 4.650 -6.385 -12.034 1.00 0.00 C ATOM 704 CG ASP A 47 5.697 -6.024 -13.068 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.642 -6.541 -14.199 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.609 -5.241 -12.754 1.00 0.00 O ATOM 0 H ASP A 47 3.916 -7.972 -14.376 1.00 0.00 H new ATOM 0 HA ASP A 47 2.701 -7.239 -11.798 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.425 -5.501 -11.437 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.066 -7.130 -11.356 1.00 0.00 H new ATOM 711 N ASN A 48 2.005 -6.218 -14.532 1.00 0.00 N ATOM 712 CA ASN A 48 1.139 -5.334 -15.336 1.00 0.00 C ATOM 713 C ASN A 48 1.845 -4.059 -15.807 1.00 0.00 C ATOM 714 O ASN A 48 1.216 -3.001 -15.918 1.00 0.00 O ATOM 715 CB ASN A 48 -0.148 -4.953 -14.575 1.00 0.00 C ATOM 716 CG ASN A 48 -1.088 -6.123 -14.341 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.803 -6.547 -15.251 1.00 0.00 O ATOM 718 ND2 ASN A 48 -1.124 -6.624 -13.128 1.00 0.00 N ATOM 0 H ASN A 48 2.128 -7.146 -14.937 1.00 0.00 H new ATOM 0 HA ASN A 48 0.880 -5.916 -16.221 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.124 -4.519 -13.613 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.676 -4.181 -15.135 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.760 -7.392 -12.912 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.516 -6.246 -12.402 1.00 0.00 H new ATOM 725 N GLU A 49 3.119 -4.152 -16.116 1.00 0.00 N ATOM 726 CA GLU A 49 3.842 -2.990 -16.604 1.00 0.00 C ATOM 727 C GLU A 49 3.656 -2.845 -18.085 1.00 0.00 C ATOM 728 O GLU A 49 3.586 -3.844 -18.804 1.00 0.00 O ATOM 729 CB GLU A 49 5.324 -3.074 -16.278 1.00 0.00 C ATOM 730 CG GLU A 49 5.618 -3.004 -14.802 1.00 0.00 C ATOM 731 CD GLU A 49 5.160 -1.711 -14.187 1.00 0.00 C ATOM 732 OE1 GLU A 49 5.583 -0.637 -14.648 1.00 0.00 O ATOM 733 OE2 GLU A 49 4.372 -1.755 -13.230 1.00 0.00 O ATOM 0 H GLU A 49 3.673 -5.005 -16.041 1.00 0.00 H new ATOM 0 HA GLU A 49 3.434 -2.114 -16.099 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.724 -4.007 -16.676 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.846 -2.262 -16.784 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.129 -3.837 -14.297 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.690 -3.120 -14.642 1.00 0.00 H new ATOM 740 N ILE A 50 3.563 -1.610 -18.548 1.00 0.00 N ATOM 741 CA ILE A 50 3.403 -1.352 -19.959 1.00 0.00 C ATOM 742 C ILE A 50 4.665 -1.773 -20.678 1.00 0.00 C ATOM 743 O ILE A 50 5.762 -1.275 -20.392 1.00 0.00 O ATOM 744 CB ILE A 50 3.113 0.143 -20.242 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.822 0.588 -19.527 1.00 0.00 C ATOM 746 CG2 ILE A 50 3.017 0.408 -21.746 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.574 -0.157 -19.968 1.00 0.00 C ATOM 0 H ILE A 50 3.596 -0.775 -17.964 1.00 0.00 H new ATOM 0 HA ILE A 50 2.548 -1.925 -20.319 1.00 0.00 H new ATOM 0 HB ILE A 50 3.944 0.730 -19.850 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.951 0.453 -18.453 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.674 1.654 -19.699 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.813 1.465 -21.917 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.959 0.138 -22.224 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.211 -0.190 -22.170 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.288 0.218 -19.416 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.416 -0.003 -21.035 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.697 -1.222 -19.770 1.00 0.00 H new ATOM 759 N LEU A 51 4.516 -2.689 -21.594 1.00 0.00 N ATOM 760 CA LEU A 51 5.641 -3.234 -22.280 1.00 0.00 C ATOM 761 C LEU A 51 5.521 -3.007 -23.767 1.00 0.00 C ATOM 762 O LEU A 51 4.515 -3.349 -24.386 1.00 0.00 O ATOM 763 CB LEU A 51 5.786 -4.721 -21.957 1.00 0.00 C ATOM 764 CG LEU A 51 6.927 -5.458 -22.655 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.270 -4.856 -22.266 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.885 -6.935 -22.312 1.00 0.00 C ATOM 0 H LEU A 51 3.616 -3.073 -21.881 1.00 0.00 H new ATOM 0 HA LEU A 51 6.541 -2.722 -21.939 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.920 -4.826 -20.880 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.851 -5.219 -22.212 1.00 0.00 H new ATOM 0 HG LEU A 51 6.804 -5.348 -23.732 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.071 -5.394 -22.773 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.297 -3.806 -22.558 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.406 -4.936 -21.187 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.704 -7.449 -22.816 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.986 -7.061 -21.234 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.935 -7.358 -22.639 1.00 0.00 H new ATOM 778 N LEU A 52 6.544 -2.425 -24.329 1.00 0.00 N ATOM 779 CA LEU A 52 6.606 -2.187 -25.747 1.00 0.00 C ATOM 780 C LEU A 52 7.667 -3.103 -26.318 1.00 0.00 C ATOM 781 O LEU A 52 8.645 -3.404 -25.634 1.00 0.00 O ATOM 782 CB LEU A 52 6.983 -0.716 -26.057 1.00 0.00 C ATOM 783 CG LEU A 52 6.078 0.421 -25.512 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.636 0.244 -25.935 1.00 0.00 C ATOM 785 CD2 LEU A 52 6.194 0.579 -23.999 1.00 0.00 C ATOM 0 H LEU A 52 7.363 -2.100 -23.815 1.00 0.00 H new ATOM 0 HA LEU A 52 5.629 -2.381 -26.189 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.990 -0.547 -25.676 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.030 -0.609 -27.141 1.00 0.00 H new ATOM 0 HG LEU A 52 6.442 1.346 -25.960 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.036 1.060 -25.533 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.573 0.249 -27.023 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.259 -0.705 -25.554 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.542 1.387 -23.666 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.898 -0.350 -23.512 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.225 0.814 -23.736 1.00 0.00 H new ATOM 797 N GLU A 53 7.486 -3.545 -27.547 1.00 0.00 N ATOM 798 CA GLU A 53 8.449 -4.424 -28.207 1.00 0.00 C ATOM 799 C GLU A 53 9.802 -3.718 -28.323 1.00 0.00 C ATOM 800 O GLU A 53 10.862 -4.346 -28.321 1.00 0.00 O ATOM 801 CB GLU A 53 7.957 -4.846 -29.604 1.00 0.00 C ATOM 802 CG GLU A 53 6.595 -5.553 -29.627 1.00 0.00 C ATOM 803 CD GLU A 53 5.400 -4.601 -29.706 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.221 -3.756 -28.805 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.637 -4.685 -30.684 1.00 0.00 O ATOM 0 H GLU A 53 6.675 -3.310 -28.119 1.00 0.00 H new ATOM 0 HA GLU A 53 8.557 -5.324 -27.601 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.900 -3.959 -30.235 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.700 -5.507 -30.050 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.563 -6.231 -30.480 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.500 -6.165 -28.730 1.00 0.00 H new ATOM 812 N ASN A 54 9.736 -2.400 -28.403 1.00 0.00 N ATOM 813 CA ASN A 54 10.908 -1.530 -28.470 1.00 0.00 C ATOM 814 C ASN A 54 11.725 -1.637 -27.186 1.00 0.00 C ATOM 815 O ASN A 54 12.940 -1.486 -27.198 1.00 0.00 O ATOM 816 CB ASN A 54 10.478 -0.060 -28.659 1.00 0.00 C ATOM 817 CG ASN A 54 9.624 0.194 -29.895 1.00 0.00 C ATOM 818 OD1 ASN A 54 8.955 -0.703 -30.411 1.00 0.00 O ATOM 819 ND2 ASN A 54 9.639 1.418 -30.379 1.00 0.00 N ATOM 0 H ASN A 54 8.852 -1.891 -28.424 1.00 0.00 H new ATOM 0 HA ASN A 54 11.513 -1.848 -29.319 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.923 0.259 -27.777 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.371 0.562 -28.716 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.086 1.647 -31.205 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.204 2.138 -29.928 1.00 0.00 H new ATOM 826 N GLN A 55 11.040 -1.902 -26.085 1.00 0.00 N ATOM 827 CA GLN A 55 11.650 -1.935 -24.762 1.00 0.00 C ATOM 828 C GLN A 55 12.378 -3.251 -24.490 1.00 0.00 C ATOM 829 O GLN A 55 13.183 -3.331 -23.559 1.00 0.00 O ATOM 830 CB GLN A 55 10.586 -1.699 -23.691 1.00 0.00 C ATOM 831 CG GLN A 55 9.917 -0.340 -23.771 1.00 0.00 C ATOM 832 CD GLN A 55 10.866 0.801 -23.514 1.00 0.00 C ATOM 833 OE1 GLN A 55 11.492 1.319 -24.440 1.00 0.00 O ATOM 834 NE2 GLN A 55 10.983 1.204 -22.267 1.00 0.00 N ATOM 0 H GLN A 55 10.040 -2.102 -26.082 1.00 0.00 H new ATOM 0 HA GLN A 55 12.394 -1.139 -24.728 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.823 -2.473 -23.775 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.044 -1.809 -22.708 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.471 -0.219 -24.758 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.104 -0.299 -23.046 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.445 0.747 -21.531 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.611 1.974 -22.037 1.00 0.00 H new ATOM 843 N LEU A 56 12.093 -4.273 -25.288 1.00 0.00 N ATOM 844 CA LEU A 56 12.678 -5.594 -25.059 1.00 0.00 C ATOM 845 C LEU A 56 14.164 -5.577 -25.353 1.00 0.00 C ATOM 846 O LEU A 56 14.598 -5.088 -26.405 1.00 0.00 O ATOM 847 CB LEU A 56 12.000 -6.654 -25.936 1.00 0.00 C ATOM 848 CG LEU A 56 10.509 -6.906 -25.698 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.979 -7.905 -26.713 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.274 -7.418 -24.284 1.00 0.00 C ATOM 0 H LEU A 56 11.468 -4.217 -26.092 1.00 0.00 H new ATOM 0 HA LEU A 56 12.520 -5.848 -24.011 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.132 -6.365 -26.979 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.529 -7.597 -25.797 1.00 0.00 H new ATOM 0 HG LEU A 56 9.974 -5.964 -25.818 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.918 -8.077 -26.534 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.118 -7.510 -27.719 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.520 -8.846 -26.614 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.209 -7.592 -24.132 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.818 -8.351 -24.140 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.627 -6.678 -23.566 1.00 0.00 H new ATOM 862 N PHE A 57 14.933 -6.120 -24.438 1.00 0.00 N ATOM 863 CA PHE A 57 16.376 -6.177 -24.578 1.00 0.00 C ATOM 864 C PHE A 57 16.786 -7.404 -25.389 1.00 0.00 C ATOM 865 O PHE A 57 16.060 -8.401 -25.420 1.00 0.00 O ATOM 866 CB PHE A 57 17.050 -6.198 -23.199 1.00 0.00 C ATOM 867 CG PHE A 57 16.864 -4.934 -22.400 1.00 0.00 C ATOM 868 CD1 PHE A 57 17.758 -3.885 -22.528 1.00 0.00 C ATOM 869 CD2 PHE A 57 15.810 -4.802 -21.514 1.00 0.00 C ATOM 870 CE1 PHE A 57 17.595 -2.726 -21.799 1.00 0.00 C ATOM 871 CE2 PHE A 57 15.639 -3.646 -20.781 1.00 0.00 C ATOM 872 CZ PHE A 57 16.536 -2.608 -20.918 1.00 0.00 C ATOM 0 H PHE A 57 14.580 -6.535 -23.576 1.00 0.00 H new ATOM 0 HA PHE A 57 16.705 -5.284 -25.110 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.655 -7.037 -22.627 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.117 -6.377 -23.331 1.00 0.00 H new ATOM 0 HD1 PHE A 57 18.593 -3.975 -23.207 1.00 0.00 H new ATOM 0 HD2 PHE A 57 15.111 -5.616 -21.394 1.00 0.00 H new ATOM 0 HE1 PHE A 57 18.294 -1.911 -21.916 1.00 0.00 H new ATOM 0 HE2 PHE A 57 14.805 -3.554 -20.102 1.00 0.00 H new ATOM 0 HZ PHE A 57 16.412 -1.705 -20.339 1.00 0.00 H new ATOM 882 N PRO A 58 17.949 -7.345 -26.073 1.00 0.00 N ATOM 883 CA PRO A 58 18.480 -8.473 -26.844 1.00 0.00 C ATOM 884 C PRO A 58 18.873 -9.642 -25.947 1.00 0.00 C ATOM 885 O PRO A 58 19.183 -9.443 -24.763 1.00 0.00 O ATOM 886 CB PRO A 58 19.704 -7.882 -27.550 1.00 0.00 C ATOM 887 CG PRO A 58 20.120 -6.751 -26.683 1.00 0.00 C ATOM 888 CD PRO A 58 18.840 -6.171 -26.150 1.00 0.00 C ATOM 0 HA PRO A 58 17.745 -8.885 -27.535 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.500 -8.620 -27.650 1.00 0.00 H new ATOM 0 HB3 PRO A 58 19.457 -7.542 -28.556 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.765 -7.092 -25.873 1.00 0.00 H new ATOM 0 HG3 PRO A 58 20.684 -6.008 -27.248 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.983 -5.708 -25.174 1.00 0.00 H new ATOM 0 HD3 PRO A 58 18.439 -5.403 -26.811 1.00 0.00 H new ATOM 896 N ASP A 59 18.832 -10.852 -26.530 1.00 0.00 N ATOM 897 CA ASP A 59 19.073 -12.136 -25.838 1.00 0.00 C ATOM 898 C ASP A 59 20.153 -12.059 -24.753 1.00 0.00 C ATOM 899 O ASP A 59 21.355 -11.984 -25.032 1.00 0.00 O ATOM 900 CB ASP A 59 19.373 -13.274 -26.855 1.00 0.00 C ATOM 901 CG ASP A 59 20.692 -13.128 -27.608 1.00 0.00 C ATOM 902 OD1 ASP A 59 20.789 -12.261 -28.516 1.00 0.00 O ATOM 903 OD2 ASP A 59 21.638 -13.893 -27.330 1.00 0.00 O ATOM 0 H ASP A 59 18.625 -10.971 -27.522 1.00 0.00 H new ATOM 0 HA ASP A 59 18.146 -12.372 -25.315 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.378 -14.225 -26.323 1.00 0.00 H new ATOM 0 HB3 ASP A 59 18.560 -13.318 -27.580 1.00 0.00 H new ATOM 908 N ASN A 60 19.699 -12.016 -23.506 1.00 0.00 N ATOM 909 CA ASN A 60 20.588 -11.979 -22.353 1.00 0.00 C ATOM 910 C ASN A 60 21.348 -13.277 -22.214 1.00 0.00 C ATOM 911 O ASN A 60 22.564 -13.279 -22.004 1.00 0.00 O ATOM 912 CB ASN A 60 19.798 -11.721 -21.069 1.00 0.00 C ATOM 913 CG ASN A 60 19.349 -10.282 -20.900 1.00 0.00 C ATOM 914 OD1 ASN A 60 18.303 -10.023 -20.316 1.00 0.00 O ATOM 915 ND2 ASN A 60 20.137 -9.344 -21.368 1.00 0.00 N ATOM 0 H ASN A 60 18.707 -12.006 -23.267 1.00 0.00 H new ATOM 0 HA ASN A 60 21.296 -11.166 -22.512 1.00 0.00 H new ATOM 0 HB2 ASN A 60 18.921 -12.368 -21.058 1.00 0.00 H new ATOM 0 HB3 ASN A 60 20.413 -12.002 -20.214 1.00 0.00 H new ATOM 0 HD21 ASN A 60 19.887 -8.362 -21.251 1.00 0.00 H new ATOM 0 HD22 ASN A 60 21.000 -9.596 -21.849 1.00 0.00 H new ATOM 922 N PHE A 61 20.627 -14.380 -22.354 1.00 0.00 N ATOM 923 CA PHE A 61 21.190 -15.702 -22.149 1.00 0.00 C ATOM 924 C PHE A 61 20.642 -16.686 -23.159 1.00 0.00 C ATOM 925 O PHE A 61 19.520 -17.185 -23.014 1.00 0.00 O ATOM 926 CB PHE A 61 20.913 -16.218 -20.727 1.00 0.00 C ATOM 927 CG PHE A 61 21.562 -15.415 -19.644 1.00 0.00 C ATOM 928 CD1 PHE A 61 22.882 -15.649 -19.289 1.00 0.00 C ATOM 929 CD2 PHE A 61 20.859 -14.428 -18.977 1.00 0.00 C ATOM 930 CE1 PHE A 61 23.484 -14.913 -18.295 1.00 0.00 C ATOM 931 CE2 PHE A 61 21.456 -13.690 -17.982 1.00 0.00 C ATOM 932 CZ PHE A 61 22.772 -13.934 -17.642 1.00 0.00 C ATOM 0 H PHE A 61 19.640 -14.382 -22.612 1.00 0.00 H new ATOM 0 HA PHE A 61 22.268 -15.615 -22.283 1.00 0.00 H new ATOM 0 HB2 PHE A 61 19.836 -16.228 -20.560 1.00 0.00 H new ATOM 0 HB3 PHE A 61 21.257 -17.250 -20.654 1.00 0.00 H new ATOM 0 HD1 PHE A 61 23.444 -16.418 -19.799 1.00 0.00 H new ATOM 0 HD2 PHE A 61 19.830 -14.235 -19.241 1.00 0.00 H new ATOM 0 HE1 PHE A 61 24.513 -15.103 -18.028 1.00 0.00 H new ATOM 0 HE2 PHE A 61 20.897 -12.922 -17.468 1.00 0.00 H new ATOM 0 HZ PHE A 61 23.243 -13.355 -16.862 1.00 0.00 H new ATOM 942 N ALA A 62 21.418 -16.953 -24.169 1.00 0.00 N ATOM 943 CA ALA A 62 21.062 -17.937 -25.148 1.00 0.00 C ATOM 944 C ALA A 62 22.190 -18.926 -25.295 1.00 0.00 C ATOM 945 O ALA A 62 23.347 -18.547 -25.541 1.00 0.00 O ATOM 946 CB ALA A 62 20.736 -17.277 -26.475 1.00 0.00 C ATOM 0 H ALA A 62 22.314 -16.495 -24.337 1.00 0.00 H new ATOM 0 HA ALA A 62 20.169 -18.468 -24.818 1.00 0.00 H new ATOM 0 HB1 ALA A 62 20.468 -18.041 -27.205 1.00 0.00 H new ATOM 0 HB2 ALA A 62 19.899 -16.591 -26.344 1.00 0.00 H new ATOM 0 HB3 ALA A 62 21.606 -16.725 -26.830 1.00 0.00 H new ATOM 952 N LYS A 63 21.868 -20.179 -25.137 1.00 0.00 N ATOM 953 CA LYS A 63 22.840 -21.231 -25.194 1.00 0.00 C ATOM 954 C LYS A 63 22.221 -22.445 -25.856 1.00 0.00 C ATOM 955 O LYS A 63 21.508 -23.198 -25.165 1.00 0.00 O ATOM 956 CB LYS A 63 23.322 -21.580 -23.779 1.00 0.00 C ATOM 957 CG LYS A 63 24.404 -22.642 -23.734 1.00 0.00 C ATOM 958 CD LYS A 63 24.842 -22.922 -22.309 1.00 0.00 C ATOM 959 CE LYS A 63 25.939 -23.968 -22.276 1.00 0.00 C ATOM 960 NZ LYS A 63 26.403 -24.242 -20.897 1.00 0.00 N ATOM 961 OXT LYS A 63 22.427 -22.638 -27.061 1.00 0.00 O ATOM 0 H LYS A 63 20.916 -20.500 -24.964 1.00 0.00 H new ATOM 0 HA LYS A 63 23.700 -20.903 -25.778 1.00 0.00 H new ATOM 0 HB2 LYS A 63 23.697 -20.675 -23.302 1.00 0.00 H new ATOM 0 HB3 LYS A 63 22.470 -21.921 -23.191 1.00 0.00 H new ATOM 0 HG2 LYS A 63 24.034 -23.560 -24.190 1.00 0.00 H new ATOM 0 HG3 LYS A 63 25.261 -22.316 -24.323 1.00 0.00 H new ATOM 0 HD2 LYS A 63 25.198 -22.002 -21.846 1.00 0.00 H new ATOM 0 HD3 LYS A 63 23.989 -23.265 -21.723 1.00 0.00 H new ATOM 0 HE2 LYS A 63 25.573 -24.891 -22.726 1.00 0.00 H new ATOM 0 HE3 LYS A 63 26.780 -23.630 -22.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.153 -24.962 -20.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 26.776 -23.367 -20.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 25.607 -24.589 -20.325 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.171 -19.449 -22.982 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.940 -6.368 -15.473 1.00 0.00 ZN