USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 511 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 7 THR OG1 : rot 180:sc= 0.856 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -1.81! C(o=-1.8!,f=-2.2!) USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= -0.0106 (180deg=-0.204) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -79:sc= 0.852 USER MOD Single : A 20 SER OG : rot -54:sc= 0.693 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00701 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= -1.21 (180deg=-1.48) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= -1.63! (180deg=-1.63!) USER MOD Single : A 31 GLN : amide:sc= -3.18! C(o=-3.2!,f=-5.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.32! K(o=-1.3!,f=-0.018) USER MOD Single : A 41 GLN : amide:sc= -3.11! C(o=-3.1!,f=-9.9!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.366 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 63 LYS NZ :NH3+ -142:sc= -0.253 (180deg=-1.36!) USER MOD Single : A 65 SER OG : rot 54:sc= 0.128 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 52.598 -9.450 2.088 1.00 0.00 N ATOM 21 CA GLN A 2 53.510 -8.309 2.059 1.00 0.00 C ATOM 22 C GLN A 2 54.812 -8.638 2.778 1.00 0.00 C ATOM 23 O GLN A 2 54.916 -9.654 3.465 1.00 0.00 O ATOM 24 CB GLN A 2 52.852 -7.097 2.724 1.00 0.00 C ATOM 25 CG GLN A 2 51.835 -7.570 3.765 1.00 0.00 C ATOM 26 CD GLN A 2 52.496 -8.538 4.739 1.00 0.00 C ATOM 27 OE1 GLN A 2 52.133 -9.712 4.793 1.00 0.00 O ATOM 28 NE2 GLN A 2 53.450 -8.111 5.522 1.00 0.00 N ATOM 0 HA GLN A 2 53.734 -8.078 1.018 1.00 0.00 H new ATOM 0 HB2 GLN A 2 53.610 -6.474 3.199 1.00 0.00 H new ATOM 0 HB3 GLN A 2 52.358 -6.481 1.972 1.00 0.00 H new ATOM 0 HG2 GLN A 2 51.433 -6.714 4.307 1.00 0.00 H new ATOM 0 HG3 GLN A 2 50.995 -8.057 3.270 1.00 0.00 H new ATOM 0 HE21 GLN A 2 53.750 -7.137 5.476 1.00 0.00 H new ATOM 0 HE22 GLN A 2 53.895 -8.751 6.179 1.00 0.00 H new ATOM 37 N ILE A 3 55.799 -7.766 2.608 1.00 0.00 N ATOM 38 CA ILE A 3 57.101 -7.955 3.238 1.00 0.00 C ATOM 39 C ILE A 3 57.488 -6.725 4.051 1.00 0.00 C ATOM 40 O ILE A 3 56.953 -5.635 3.837 1.00 0.00 O ATOM 41 CB ILE A 3 58.165 -8.216 2.171 1.00 0.00 C ATOM 42 CG1 ILE A 3 58.053 -7.161 1.071 1.00 0.00 C ATOM 43 CG2 ILE A 3 57.954 -9.606 1.566 1.00 0.00 C ATOM 44 CD1 ILE A 3 59.429 -6.938 0.443 1.00 0.00 C ATOM 0 H ILE A 3 55.723 -6.922 2.040 1.00 0.00 H new ATOM 0 HA ILE A 3 57.037 -8.814 3.906 1.00 0.00 H new ATOM 0 HB ILE A 3 59.154 -8.165 2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 3 57.342 -7.485 0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 3 57.673 -6.227 1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 3 58.713 -9.791 0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 3 58.034 -10.360 2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 3 56.965 -9.659 1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 3 59.353 -6.186 -0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 3 60.127 -6.595 1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 3 59.790 -7.874 0.016 1.00 0.00 H new ATOM 56 N PHE A 4 58.415 -6.907 4.986 1.00 0.00 N ATOM 57 CA PHE A 4 58.865 -5.807 5.831 1.00 0.00 C ATOM 58 C PHE A 4 60.267 -5.357 5.433 1.00 0.00 C ATOM 59 O PHE A 4 61.107 -6.176 5.059 1.00 0.00 O ATOM 60 CB PHE A 4 58.868 -6.250 7.296 1.00 0.00 C ATOM 61 CG PHE A 4 57.446 -6.456 7.759 1.00 0.00 C ATOM 62 CD1 PHE A 4 56.935 -7.753 7.894 1.00 0.00 C ATOM 63 CD2 PHE A 4 56.637 -5.352 8.050 1.00 0.00 C ATOM 64 CE1 PHE A 4 55.615 -7.945 8.319 1.00 0.00 C ATOM 65 CE2 PHE A 4 55.317 -5.545 8.476 1.00 0.00 C ATOM 66 CZ PHE A 4 54.807 -6.841 8.611 1.00 0.00 C ATOM 0 H PHE A 4 58.867 -7.801 5.177 1.00 0.00 H new ATOM 0 HA PHE A 4 58.180 -4.969 5.700 1.00 0.00 H new ATOM 0 HB2 PHE A 4 59.436 -7.174 7.407 1.00 0.00 H new ATOM 0 HB3 PHE A 4 59.358 -5.498 7.914 1.00 0.00 H new ATOM 0 HD1 PHE A 4 57.559 -8.605 7.670 1.00 0.00 H new ATOM 0 HD2 PHE A 4 57.030 -4.352 7.946 1.00 0.00 H new ATOM 0 HE1 PHE A 4 55.221 -8.945 8.421 1.00 0.00 H new ATOM 0 HE2 PHE A 4 54.692 -4.693 8.700 1.00 0.00 H new ATOM 0 HZ PHE A 4 53.789 -6.989 8.941 1.00 0.00 H new ATOM 76 N VAL A 5 60.510 -4.052 5.522 1.00 0.00 N ATOM 77 CA VAL A 5 61.813 -3.494 5.175 1.00 0.00 C ATOM 78 C VAL A 5 62.389 -2.720 6.358 1.00 0.00 C ATOM 79 O VAL A 5 61.813 -1.726 6.801 1.00 0.00 O ATOM 80 CB VAL A 5 61.678 -2.563 3.969 1.00 0.00 C ATOM 81 CG1 VAL A 5 62.928 -1.686 3.854 1.00 0.00 C ATOM 82 CG2 VAL A 5 61.526 -3.395 2.696 1.00 0.00 C ATOM 0 H VAL A 5 59.824 -3.363 5.831 1.00 0.00 H new ATOM 0 HA VAL A 5 62.487 -4.313 4.925 1.00 0.00 H new ATOM 0 HB VAL A 5 60.800 -1.930 4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 5 62.830 -1.023 2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.039 -1.090 4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 5 63.806 -2.319 3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 5 61.430 -2.731 1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 5 62.404 -4.029 2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 5 60.636 -4.019 2.774 1.00 0.00 H new ATOM 92 N LYS A 6 63.525 -3.186 6.868 1.00 0.00 N ATOM 93 CA LYS A 6 64.164 -2.531 8.005 1.00 0.00 C ATOM 94 C LYS A 6 65.283 -1.608 7.537 1.00 0.00 C ATOM 95 O LYS A 6 66.154 -2.013 6.766 1.00 0.00 O ATOM 96 CB LYS A 6 64.734 -3.583 8.957 1.00 0.00 C ATOM 97 CG LYS A 6 65.386 -2.887 10.155 1.00 0.00 C ATOM 98 CD LYS A 6 65.535 -3.883 11.306 1.00 0.00 C ATOM 99 CE LYS A 6 66.223 -3.199 12.489 1.00 0.00 C ATOM 100 NZ LYS A 6 67.663 -2.985 12.167 1.00 0.00 N ATOM 0 H LYS A 6 64.018 -4.007 6.516 1.00 0.00 H new ATOM 0 HA LYS A 6 63.414 -1.935 8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 6 63.941 -4.249 9.297 1.00 0.00 H new ATOM 0 HB3 LYS A 6 65.467 -4.200 8.438 1.00 0.00 H new ATOM 0 HG2 LYS A 6 66.362 -2.493 9.873 1.00 0.00 H new ATOM 0 HG3 LYS A 6 64.779 -2.039 10.471 1.00 0.00 H new ATOM 0 HD2 LYS A 6 64.556 -4.256 11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 6 66.118 -4.745 10.982 1.00 0.00 H new ATOM 0 HE2 LYS A 6 65.741 -2.245 12.703 1.00 0.00 H new ATOM 0 HE3 LYS A 6 66.126 -3.813 13.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 68.187 -2.778 13.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 68.051 -3.843 11.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 67.756 -2.185 11.509 1.00 0.00 H new ATOM 114 N THR A 7 65.254 -0.365 8.011 1.00 0.00 N ATOM 115 CA THR A 7 66.271 0.614 7.641 1.00 0.00 C ATOM 116 C THR A 7 67.208 0.880 8.815 1.00 0.00 C ATOM 117 O THR A 7 67.153 0.190 9.833 1.00 0.00 O ATOM 118 CB THR A 7 65.602 1.922 7.213 1.00 0.00 C ATOM 119 OG1 THR A 7 65.442 2.764 8.348 1.00 0.00 O ATOM 120 CG2 THR A 7 64.234 1.623 6.600 1.00 0.00 C ATOM 0 H THR A 7 64.540 -0.013 8.649 1.00 0.00 H new ATOM 0 HA THR A 7 66.852 0.214 6.810 1.00 0.00 H new ATOM 0 HB THR A 7 66.226 2.423 6.473 1.00 0.00 H new ATOM 0 HG1 THR A 7 65.015 3.603 8.075 1.00 0.00 H new ATOM 0 HG21 THR A 7 63.760 2.556 6.296 1.00 0.00 H new ATOM 0 HG22 THR A 7 64.358 0.979 5.730 1.00 0.00 H new ATOM 0 HG23 THR A 7 63.607 1.121 7.337 1.00 0.00 H new ATOM 128 N LEU A 8 68.067 1.883 8.666 1.00 0.00 N ATOM 129 CA LEU A 8 69.010 2.229 9.723 1.00 0.00 C ATOM 130 C LEU A 8 68.323 3.053 10.806 1.00 0.00 C ATOM 131 O LEU A 8 68.887 3.286 11.875 1.00 0.00 O ATOM 132 CB LEU A 8 70.178 3.026 9.139 1.00 0.00 C ATOM 133 CG LEU A 8 71.012 2.119 8.232 1.00 0.00 C ATOM 134 CD1 LEU A 8 71.535 2.928 7.044 1.00 0.00 C ATOM 135 CD2 LEU A 8 72.194 1.557 9.024 1.00 0.00 C ATOM 0 H LEU A 8 68.130 2.466 7.831 1.00 0.00 H new ATOM 0 HA LEU A 8 69.384 1.306 10.167 1.00 0.00 H new ATOM 0 HB2 LEU A 8 69.803 3.879 8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 8 70.798 3.424 9.942 1.00 0.00 H new ATOM 0 HG LEU A 8 70.393 1.299 7.869 1.00 0.00 H new ATOM 0 HD11 LEU A 8 72.129 2.282 6.397 1.00 0.00 H new ATOM 0 HD12 LEU A 8 70.694 3.331 6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 8 72.155 3.748 7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 8 72.789 0.910 8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 8 72.813 2.378 9.386 1.00 0.00 H new ATOM 0 HD23 LEU A 8 71.823 0.981 9.872 1.00 0.00 H new ATOM 147 N THR A 9 67.100 3.492 10.524 1.00 0.00 N ATOM 148 CA THR A 9 66.343 4.290 11.482 1.00 0.00 C ATOM 149 C THR A 9 65.397 3.406 12.288 1.00 0.00 C ATOM 150 O THR A 9 64.656 3.891 13.142 1.00 0.00 O ATOM 151 CB THR A 9 65.540 5.365 10.748 1.00 0.00 C ATOM 152 OG1 THR A 9 64.312 4.809 10.296 1.00 0.00 O ATOM 153 CG2 THR A 9 66.342 5.877 9.550 1.00 0.00 C ATOM 0 H THR A 9 66.615 3.310 9.646 1.00 0.00 H new ATOM 0 HA THR A 9 67.046 4.766 12.165 1.00 0.00 H new ATOM 0 HB THR A 9 65.337 6.194 11.426 1.00 0.00 H new ATOM 0 HG1 THR A 9 63.795 5.496 9.827 1.00 0.00 H new ATOM 0 HG21 THR A 9 65.768 6.643 9.028 1.00 0.00 H new ATOM 0 HG22 THR A 9 67.283 6.303 9.897 1.00 0.00 H new ATOM 0 HG23 THR A 9 66.547 5.051 8.869 1.00 0.00 H new ATOM 161 N GLY A 10 65.427 2.106 12.010 1.00 0.00 N ATOM 162 CA GLY A 10 64.567 1.165 12.716 1.00 0.00 C ATOM 163 C GLY A 10 63.180 1.114 12.083 1.00 0.00 C ATOM 164 O GLY A 10 62.561 0.053 12.005 1.00 0.00 O ATOM 0 H GLY A 10 66.033 1.684 11.306 1.00 0.00 H new ATOM 0 HA2 GLY A 10 65.016 0.172 12.698 1.00 0.00 H new ATOM 0 HA3 GLY A 10 64.483 1.458 13.763 1.00 0.00 H new ATOM 168 N LYS A 11 62.699 2.267 11.631 1.00 0.00 N ATOM 169 CA LYS A 11 61.384 2.343 11.007 1.00 0.00 C ATOM 170 C LYS A 11 61.187 1.185 10.033 1.00 0.00 C ATOM 171 O LYS A 11 61.994 0.978 9.128 1.00 0.00 O ATOM 172 CB LYS A 11 61.234 3.670 10.261 1.00 0.00 C ATOM 173 CG LYS A 11 59.759 3.906 9.927 1.00 0.00 C ATOM 174 CD LYS A 11 59.652 4.839 8.719 1.00 0.00 C ATOM 175 CE LYS A 11 58.204 5.309 8.564 1.00 0.00 C ATOM 176 NZ LYS A 11 57.959 6.468 9.469 1.00 0.00 N ATOM 0 H LYS A 11 63.196 3.156 11.684 1.00 0.00 H new ATOM 0 HA LYS A 11 60.627 2.280 11.789 1.00 0.00 H new ATOM 0 HB2 LYS A 11 61.614 4.488 10.873 1.00 0.00 H new ATOM 0 HB3 LYS A 11 61.827 3.654 9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 11 59.268 2.957 9.712 1.00 0.00 H new ATOM 0 HG3 LYS A 11 59.247 4.343 10.784 1.00 0.00 H new ATOM 0 HD2 LYS A 11 60.312 5.697 8.849 1.00 0.00 H new ATOM 0 HD3 LYS A 11 59.976 4.321 7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 11 58.012 5.594 7.530 1.00 0.00 H new ATOM 0 HE3 LYS A 11 57.519 4.496 8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 56.975 6.788 9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 58.127 6.181 10.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 58.604 7.245 9.220 1.00 0.00 H new ATOM 190 N THR A 12 60.107 0.433 10.226 1.00 0.00 N ATOM 191 CA THR A 12 59.816 -0.702 9.359 1.00 0.00 C ATOM 192 C THR A 12 58.742 -0.338 8.339 1.00 0.00 C ATOM 193 O THR A 12 57.680 0.172 8.697 1.00 0.00 O ATOM 194 CB THR A 12 59.343 -1.893 10.195 1.00 0.00 C ATOM 195 OG1 THR A 12 60.135 -1.987 11.371 1.00 0.00 O ATOM 196 CG2 THR A 12 59.482 -3.180 9.379 1.00 0.00 C ATOM 0 H THR A 12 59.425 0.588 10.968 1.00 0.00 H new ATOM 0 HA THR A 12 60.730 -0.970 8.829 1.00 0.00 H new ATOM 0 HB THR A 12 58.298 -1.752 10.470 1.00 0.00 H new ATOM 0 HG1 THR A 12 59.833 -2.748 11.909 1.00 0.00 H new ATOM 0 HG21 THR A 12 59.145 -4.027 9.976 1.00 0.00 H new ATOM 0 HG22 THR A 12 58.874 -3.106 8.477 1.00 0.00 H new ATOM 0 HG23 THR A 12 60.526 -3.324 9.102 1.00 0.00 H new ATOM 204 N ILE A 13 59.027 -0.603 7.068 1.00 0.00 N ATOM 205 CA ILE A 13 58.082 -0.301 5.999 1.00 0.00 C ATOM 206 C ILE A 13 57.444 -1.584 5.471 1.00 0.00 C ATOM 207 O ILE A 13 58.123 -2.593 5.282 1.00 0.00 O ATOM 208 CB ILE A 13 58.796 0.419 4.852 1.00 0.00 C ATOM 209 CG1 ILE A 13 60.205 0.820 5.300 1.00 0.00 C ATOM 210 CG2 ILE A 13 58.008 1.671 4.460 1.00 0.00 C ATOM 211 CD1 ILE A 13 60.867 1.673 4.217 1.00 0.00 C ATOM 0 H ILE A 13 59.901 -1.025 6.754 1.00 0.00 H new ATOM 0 HA ILE A 13 57.303 0.345 6.404 1.00 0.00 H new ATOM 0 HB ILE A 13 58.863 -0.248 3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 13 60.155 1.377 6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 13 60.803 -0.071 5.491 1.00 0.00 H new ATOM 0 HG21 ILE A 13 58.519 2.181 3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 13 57.006 1.385 4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 13 57.937 2.340 5.318 1.00 0.00 H new ATOM 0 HD11 ILE A 13 61.869 1.956 4.539 1.00 0.00 H new ATOM 0 HD12 ILE A 13 60.932 1.100 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 13 60.273 2.571 4.047 1.00 0.00 H new ATOM 223 N THR A 14 56.138 -1.533 5.229 1.00 0.00 N ATOM 224 CA THR A 14 55.418 -2.694 4.718 1.00 0.00 C ATOM 225 C THR A 14 55.090 -2.504 3.240 1.00 0.00 C ATOM 226 O THR A 14 54.398 -1.557 2.867 1.00 0.00 O ATOM 227 CB THR A 14 54.122 -2.896 5.507 1.00 0.00 C ATOM 228 OG1 THR A 14 54.418 -2.929 6.898 1.00 0.00 O ATOM 229 CG2 THR A 14 53.467 -4.214 5.092 1.00 0.00 C ATOM 0 H THR A 14 55.560 -0.706 5.377 1.00 0.00 H new ATOM 0 HA THR A 14 56.052 -3.574 4.833 1.00 0.00 H new ATOM 0 HB THR A 14 53.438 -2.073 5.298 1.00 0.00 H new ATOM 0 HG1 THR A 14 54.761 -3.815 7.139 1.00 0.00 H new ATOM 0 HG21 THR A 14 52.545 -4.355 5.655 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.241 -4.188 4.026 1.00 0.00 H new ATOM 0 HG23 THR A 14 54.148 -5.040 5.298 1.00 0.00 H new ATOM 237 N LEU A 15 55.598 -3.409 2.407 1.00 0.00 N ATOM 238 CA LEU A 15 55.363 -3.337 0.968 1.00 0.00 C ATOM 239 C LEU A 15 54.638 -4.583 0.474 1.00 0.00 C ATOM 240 O LEU A 15 54.821 -5.675 1.012 1.00 0.00 O ATOM 241 CB LEU A 15 56.696 -3.200 0.230 1.00 0.00 C ATOM 242 CG LEU A 15 57.030 -1.721 0.037 1.00 0.00 C ATOM 243 CD1 LEU A 15 57.101 -1.028 1.400 1.00 0.00 C ATOM 244 CD2 LEU A 15 58.381 -1.592 -0.670 1.00 0.00 C ATOM 0 H LEU A 15 56.173 -4.198 2.703 1.00 0.00 H new ATOM 0 HA LEU A 15 54.739 -2.466 0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 15 57.488 -3.690 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 15 56.640 -3.699 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 15 56.255 -1.251 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 15 57.339 0.026 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 15 56.139 -1.119 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 15 57.875 -1.497 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 15 58.620 -0.538 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 15 59.155 -2.063 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 15 58.331 -2.083 -1.642 1.00 0.00 H new ATOM 256 N GLU A 16 53.816 -4.413 -0.558 1.00 0.00 N ATOM 257 CA GLU A 16 53.070 -5.530 -1.122 1.00 0.00 C ATOM 258 C GLU A 16 53.717 -5.997 -2.422 1.00 0.00 C ATOM 259 O GLU A 16 53.955 -5.198 -3.329 1.00 0.00 O ATOM 260 CB GLU A 16 51.623 -5.112 -1.390 1.00 0.00 C ATOM 261 CG GLU A 16 51.584 -3.643 -1.816 1.00 0.00 C ATOM 262 CD GLU A 16 51.393 -2.751 -0.593 1.00 0.00 C ATOM 263 OE1 GLU A 16 50.802 -1.695 -0.743 1.00 0.00 O ATOM 264 OE2 GLU A 16 51.837 -3.140 0.474 1.00 0.00 O ATOM 0 H GLU A 16 53.651 -3.517 -1.017 1.00 0.00 H new ATOM 0 HA GLU A 16 53.081 -6.351 -0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 16 51.191 -5.739 -2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 16 51.020 -5.257 -0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 16 52.510 -3.379 -2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 16 50.771 -3.482 -2.524 1.00 0.00 H new ATOM 271 N VAL A 17 54.001 -7.292 -2.506 1.00 0.00 N ATOM 272 CA VAL A 17 54.623 -7.851 -3.700 1.00 0.00 C ATOM 273 C VAL A 17 54.106 -9.262 -3.965 1.00 0.00 C ATOM 274 O VAL A 17 53.362 -9.820 -3.159 1.00 0.00 O ATOM 275 CB VAL A 17 56.143 -7.887 -3.528 1.00 0.00 C ATOM 276 CG1 VAL A 17 56.643 -6.502 -3.113 1.00 0.00 C ATOM 277 CG2 VAL A 17 56.509 -8.905 -2.445 1.00 0.00 C ATOM 0 H VAL A 17 53.812 -7.970 -1.768 1.00 0.00 H new ATOM 0 HA VAL A 17 54.368 -7.218 -4.550 1.00 0.00 H new ATOM 0 HB VAL A 17 56.608 -8.174 -4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 17 57.726 -6.528 -2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 17 56.382 -5.775 -3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 17 56.178 -6.215 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 17 57.592 -8.932 -2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 17 56.043 -8.617 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 17 56.153 -9.892 -2.739 1.00 0.00 H new ATOM 287 N GLU A 18 54.505 -9.829 -5.100 1.00 0.00 N ATOM 288 CA GLU A 18 54.079 -11.175 -5.467 1.00 0.00 C ATOM 289 C GLU A 18 55.284 -12.013 -5.900 1.00 0.00 C ATOM 290 O GLU A 18 56.302 -11.467 -6.326 1.00 0.00 O ATOM 291 CB GLU A 18 53.066 -11.100 -6.614 1.00 0.00 C ATOM 292 CG GLU A 18 51.644 -11.111 -6.046 1.00 0.00 C ATOM 293 CD GLU A 18 51.451 -9.922 -5.111 1.00 0.00 C ATOM 294 OE1 GLU A 18 50.831 -10.100 -4.076 1.00 0.00 O ATOM 295 OE2 GLU A 18 51.930 -8.850 -5.443 1.00 0.00 O ATOM 0 H GLU A 18 55.120 -9.379 -5.778 1.00 0.00 H new ATOM 0 HA GLU A 18 53.614 -11.646 -4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 18 53.228 -10.194 -7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 18 53.205 -11.943 -7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 18 50.918 -11.068 -6.858 1.00 0.00 H new ATOM 0 HG3 GLU A 18 51.465 -12.042 -5.507 1.00 0.00 H new ATOM 302 N PRO A 19 55.194 -13.317 -5.802 1.00 0.00 N ATOM 303 CA PRO A 19 56.311 -14.225 -6.195 1.00 0.00 C ATOM 304 C PRO A 19 56.559 -14.212 -7.701 1.00 0.00 C ATOM 305 O PRO A 19 57.280 -15.060 -8.228 1.00 0.00 O ATOM 306 CB PRO A 19 55.849 -15.609 -5.731 1.00 0.00 C ATOM 307 CG PRO A 19 54.362 -15.523 -5.634 1.00 0.00 C ATOM 308 CD PRO A 19 54.029 -14.069 -5.306 1.00 0.00 C ATOM 0 HA PRO A 19 57.257 -13.919 -5.747 1.00 0.00 H new ATOM 0 HB2 PRO A 19 56.152 -16.381 -6.438 1.00 0.00 H new ATOM 0 HB3 PRO A 19 56.290 -15.868 -4.769 1.00 0.00 H new ATOM 0 HG2 PRO A 19 53.895 -15.826 -6.571 1.00 0.00 H new ATOM 0 HG3 PRO A 19 53.985 -16.191 -4.860 1.00 0.00 H new ATOM 0 HD2 PRO A 19 53.109 -13.750 -5.796 1.00 0.00 H new ATOM 0 HD3 PRO A 19 53.886 -13.924 -4.235 1.00 0.00 H new ATOM 316 N SER A 20 55.956 -13.242 -8.385 1.00 0.00 N ATOM 317 CA SER A 20 56.113 -13.120 -9.832 1.00 0.00 C ATOM 318 C SER A 20 56.826 -11.818 -10.185 1.00 0.00 C ATOM 319 O SER A 20 57.535 -11.738 -11.188 1.00 0.00 O ATOM 320 CB SER A 20 54.743 -13.151 -10.509 1.00 0.00 C ATOM 321 OG SER A 20 54.301 -11.820 -10.737 1.00 0.00 O ATOM 0 H SER A 20 55.357 -12.532 -7.963 1.00 0.00 H new ATOM 0 HA SER A 20 56.713 -13.958 -10.186 1.00 0.00 H new ATOM 0 HB2 SER A 20 54.803 -13.693 -11.453 1.00 0.00 H new ATOM 0 HB3 SER A 20 54.027 -13.682 -9.882 1.00 0.00 H new ATOM 0 HG SER A 20 54.326 -11.318 -9.895 1.00 0.00 H new ATOM 327 N ASP A 21 56.632 -10.799 -9.353 1.00 0.00 N ATOM 328 CA ASP A 21 57.261 -9.503 -9.588 1.00 0.00 C ATOM 329 C ASP A 21 58.738 -9.547 -9.206 1.00 0.00 C ATOM 330 O ASP A 21 59.136 -10.296 -8.315 1.00 0.00 O ATOM 331 CB ASP A 21 56.551 -8.422 -8.770 1.00 0.00 C ATOM 332 CG ASP A 21 55.042 -8.553 -8.933 1.00 0.00 C ATOM 333 OD1 ASP A 21 54.331 -7.725 -8.384 1.00 0.00 O ATOM 334 OD2 ASP A 21 54.615 -9.477 -9.605 1.00 0.00 O ATOM 0 H ASP A 21 56.049 -10.844 -8.517 1.00 0.00 H new ATOM 0 HA ASP A 21 57.179 -9.267 -10.649 1.00 0.00 H new ATOM 0 HB2 ASP A 21 56.821 -8.514 -7.718 1.00 0.00 H new ATOM 0 HB3 ASP A 21 56.876 -7.434 -9.097 1.00 0.00 H new ATOM 339 N THR A 22 59.543 -8.738 -9.886 1.00 0.00 N ATOM 340 CA THR A 22 60.974 -8.693 -9.610 1.00 0.00 C ATOM 341 C THR A 22 61.276 -7.694 -8.498 1.00 0.00 C ATOM 342 O THR A 22 60.457 -6.827 -8.191 1.00 0.00 O ATOM 343 CB THR A 22 61.738 -8.297 -10.876 1.00 0.00 C ATOM 344 OG1 THR A 22 61.490 -6.927 -11.165 1.00 0.00 O ATOM 345 CG2 THR A 22 61.271 -9.160 -12.048 1.00 0.00 C ATOM 0 H THR A 22 59.232 -8.109 -10.627 1.00 0.00 H new ATOM 0 HA THR A 22 61.293 -9.684 -9.288 1.00 0.00 H new ATOM 0 HB THR A 22 62.806 -8.450 -10.720 1.00 0.00 H new ATOM 0 HG1 THR A 22 61.979 -6.670 -11.974 1.00 0.00 H new ATOM 0 HG21 THR A 22 61.816 -8.877 -12.948 1.00 0.00 H new ATOM 0 HG22 THR A 22 61.460 -10.210 -11.825 1.00 0.00 H new ATOM 0 HG23 THR A 22 60.203 -9.010 -12.208 1.00 0.00 H new ATOM 353 N ILE A 23 62.454 -7.822 -7.898 1.00 0.00 N ATOM 354 CA ILE A 23 62.853 -6.924 -6.821 1.00 0.00 C ATOM 355 C ILE A 23 63.108 -5.520 -7.361 1.00 0.00 C ATOM 356 O ILE A 23 63.078 -4.542 -6.615 1.00 0.00 O ATOM 357 CB ILE A 23 64.123 -7.450 -6.145 1.00 0.00 C ATOM 358 CG1 ILE A 23 63.847 -8.838 -5.547 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.556 -6.480 -5.042 1.00 0.00 C ATOM 360 CD1 ILE A 23 63.320 -8.705 -4.115 1.00 0.00 C ATOM 0 H ILE A 23 63.145 -8.533 -8.137 1.00 0.00 H new ATOM 0 HA ILE A 23 62.044 -6.880 -6.092 1.00 0.00 H new ATOM 0 HB ILE A 23 64.923 -7.531 -6.881 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.119 -9.368 -6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 23 64.761 -9.432 -5.552 1.00 0.00 H new ATOM 0 HG21 ILE A 23 65.460 -6.855 -4.562 1.00 0.00 H new ATOM 0 HG22 ILE A 23 64.756 -5.501 -5.477 1.00 0.00 H new ATOM 0 HG23 ILE A 23 63.761 -6.393 -4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 23 63.129 -9.696 -3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 23 64.061 -8.194 -3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 23 62.394 -8.130 -4.120 1.00 0.00 H new ATOM 372 N GLU A 24 63.358 -5.430 -8.663 1.00 0.00 N ATOM 373 CA GLU A 24 63.616 -4.140 -9.294 1.00 0.00 C ATOM 374 C GLU A 24 62.443 -3.191 -9.073 1.00 0.00 C ATOM 375 O GLU A 24 62.632 -2.021 -8.742 1.00 0.00 O ATOM 376 CB GLU A 24 63.846 -4.330 -10.795 1.00 0.00 C ATOM 377 CG GLU A 24 63.961 -2.961 -11.470 1.00 0.00 C ATOM 378 CD GLU A 24 64.877 -3.056 -12.685 1.00 0.00 C ATOM 379 OE1 GLU A 24 64.372 -2.955 -13.792 1.00 0.00 O ATOM 380 OE2 GLU A 24 66.069 -3.228 -12.492 1.00 0.00 O ATOM 0 H GLU A 24 63.388 -6.228 -9.298 1.00 0.00 H new ATOM 0 HA GLU A 24 64.508 -3.707 -8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.754 -4.908 -10.964 1.00 0.00 H new ATOM 0 HB3 GLU A 24 63.022 -4.895 -11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 24 62.974 -2.612 -11.774 1.00 0.00 H new ATOM 0 HG3 GLU A 24 64.354 -2.230 -10.764 1.00 0.00 H new ATOM 387 N ASN A 25 61.231 -3.704 -9.258 1.00 0.00 N ATOM 388 CA ASN A 25 60.033 -2.893 -9.077 1.00 0.00 C ATOM 389 C ASN A 25 59.865 -2.507 -7.611 1.00 0.00 C ATOM 390 O ASN A 25 59.513 -1.372 -7.294 1.00 0.00 O ATOM 391 CB ASN A 25 58.801 -3.669 -9.545 1.00 0.00 C ATOM 392 CG ASN A 25 58.479 -3.310 -10.993 1.00 0.00 C ATOM 393 OD1 ASN A 25 59.254 -3.620 -11.898 1.00 0.00 O ATOM 394 ND2 ASN A 25 57.376 -2.670 -11.267 1.00 0.00 N ATOM 0 H ASN A 25 61.053 -4.670 -9.531 1.00 0.00 H new ATOM 0 HA ASN A 25 60.138 -1.985 -9.672 1.00 0.00 H new ATOM 0 HB2 ASN A 25 58.981 -4.741 -9.458 1.00 0.00 H new ATOM 0 HB3 ASN A 25 57.949 -3.436 -8.906 1.00 0.00 H new ATOM 0 HD21 ASN A 25 57.154 -2.426 -12.232 1.00 0.00 H new ATOM 0 HD22 ASN A 25 56.735 -2.414 -10.516 1.00 0.00 H new ATOM 401 N ALA A 26 60.119 -3.460 -6.720 1.00 0.00 N ATOM 402 CA ALA A 26 59.992 -3.210 -5.289 1.00 0.00 C ATOM 403 C ALA A 26 60.937 -2.094 -4.853 1.00 0.00 C ATOM 404 O ALA A 26 60.652 -1.362 -3.906 1.00 0.00 O ATOM 405 CB ALA A 26 60.310 -4.486 -4.506 1.00 0.00 C ATOM 0 H ALA A 26 60.412 -4.407 -6.962 1.00 0.00 H new ATOM 0 HA ALA A 26 58.967 -2.903 -5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 26 60.213 -4.291 -3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 26 59.614 -5.274 -4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 26 61.329 -4.803 -4.726 1.00 0.00 H new ATOM 411 N LYS A 27 62.060 -1.970 -5.552 1.00 0.00 N ATOM 412 CA LYS A 27 63.039 -0.936 -5.227 1.00 0.00 C ATOM 413 C LYS A 27 62.510 0.439 -5.621 1.00 0.00 C ATOM 414 O LYS A 27 62.779 1.434 -4.950 1.00 0.00 O ATOM 415 CB LYS A 27 64.360 -1.207 -5.954 1.00 0.00 C ATOM 416 CG LYS A 27 65.517 -1.122 -4.956 1.00 0.00 C ATOM 417 CD LYS A 27 66.847 -1.158 -5.713 1.00 0.00 C ATOM 418 CE LYS A 27 67.808 -2.121 -5.013 1.00 0.00 C ATOM 419 NZ LYS A 27 67.218 -3.489 -4.998 1.00 0.00 N ATOM 0 H LYS A 27 62.315 -2.566 -6.340 1.00 0.00 H new ATOM 0 HA LYS A 27 63.213 -0.955 -4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 27 64.337 -2.193 -6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 27 64.502 -0.482 -6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 27 65.442 -0.204 -4.374 1.00 0.00 H new ATOM 0 HG3 LYS A 27 65.465 -1.952 -4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.683 -1.476 -6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 27 67.282 -0.159 -5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 27 68.768 -2.133 -5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 27 67.999 -1.785 -3.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 67.968 -4.189 -4.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 66.507 -3.552 -4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 66.766 -3.682 -5.915 1.00 0.00 H new ATOM 433 N ALA A 28 61.755 0.487 -6.715 1.00 0.00 N ATOM 434 CA ALA A 28 61.193 1.745 -7.189 1.00 0.00 C ATOM 435 C ALA A 28 60.161 2.278 -6.200 1.00 0.00 C ATOM 436 O ALA A 28 60.071 3.484 -5.971 1.00 0.00 O ATOM 437 CB ALA A 28 60.537 1.543 -8.555 1.00 0.00 C ATOM 0 H ALA A 28 61.520 -0.325 -7.286 1.00 0.00 H new ATOM 0 HA ALA A 28 62.001 2.471 -7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 28 60.120 2.488 -8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 28 61.283 1.192 -9.268 1.00 0.00 H new ATOM 0 HB3 ALA A 28 59.740 0.804 -8.470 1.00 0.00 H new ATOM 443 N LYS A 29 59.386 1.370 -5.617 1.00 0.00 N ATOM 444 CA LYS A 29 58.364 1.762 -4.653 1.00 0.00 C ATOM 445 C LYS A 29 58.999 2.466 -3.459 1.00 0.00 C ATOM 446 O LYS A 29 58.510 3.500 -3.003 1.00 0.00 O ATOM 447 CB LYS A 29 57.598 0.527 -4.173 1.00 0.00 C ATOM 448 CG LYS A 29 57.083 -0.255 -5.382 1.00 0.00 C ATOM 449 CD LYS A 29 55.804 -1.004 -5.003 1.00 0.00 C ATOM 450 CE LYS A 29 56.046 -1.821 -3.733 1.00 0.00 C ATOM 451 NZ LYS A 29 55.165 -3.021 -3.738 1.00 0.00 N ATOM 0 H LYS A 29 59.444 0.367 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 29 57.673 2.450 -5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 29 58.248 -0.105 -3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 29 56.764 0.827 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 29 56.886 0.425 -6.211 1.00 0.00 H new ATOM 0 HG3 LYS A 29 57.842 -0.960 -5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 29 54.990 -0.297 -4.843 1.00 0.00 H new ATOM 0 HD3 LYS A 29 55.500 -1.661 -5.818 1.00 0.00 H new ATOM 0 HE2 LYS A 29 57.091 -2.125 -3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 29 55.843 -1.212 -2.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 55.366 -3.603 -2.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 54.169 -2.721 -3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 55.343 -3.579 -4.597 1.00 0.00 H new ATOM 465 N ILE A 30 60.095 1.903 -2.958 1.00 0.00 N ATOM 466 CA ILE A 30 60.790 2.489 -1.821 1.00 0.00 C ATOM 467 C ILE A 30 61.289 3.888 -2.162 1.00 0.00 C ATOM 468 O ILE A 30 61.284 4.785 -1.319 1.00 0.00 O ATOM 469 CB ILE A 30 61.969 1.602 -1.418 1.00 0.00 C ATOM 470 CG1 ILE A 30 61.466 0.500 -0.484 1.00 0.00 C ATOM 471 CG2 ILE A 30 63.029 2.437 -0.693 1.00 0.00 C ATOM 472 CD1 ILE A 30 62.550 -0.561 -0.317 1.00 0.00 C ATOM 0 H ILE A 30 60.517 1.048 -3.320 1.00 0.00 H new ATOM 0 HA ILE A 30 60.092 2.562 -0.987 1.00 0.00 H new ATOM 0 HB ILE A 30 62.413 1.162 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 30 61.204 0.923 0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 30 60.561 0.049 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 30 63.865 1.797 -0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 30 63.385 3.227 -1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 30 62.593 2.881 0.202 1.00 0.00 H new ATOM 0 HD11 ILE A 30 62.191 -1.346 0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 30 62.791 -0.991 -1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 30 63.443 -0.104 0.109 1.00 0.00 H new ATOM 484 N GLN A 31 61.724 4.066 -3.406 1.00 0.00 N ATOM 485 CA GLN A 31 62.230 5.358 -3.850 1.00 0.00 C ATOM 486 C GLN A 31 61.119 6.405 -3.863 1.00 0.00 C ATOM 487 O GLN A 31 61.321 7.539 -3.434 1.00 0.00 O ATOM 488 CB GLN A 31 62.823 5.229 -5.255 1.00 0.00 C ATOM 489 CG GLN A 31 63.052 6.625 -5.843 1.00 0.00 C ATOM 490 CD GLN A 31 61.800 7.099 -6.574 1.00 0.00 C ATOM 491 OE1 GLN A 31 61.135 6.311 -7.246 1.00 0.00 O ATOM 492 NE2 GLN A 31 61.443 8.351 -6.490 1.00 0.00 N ATOM 0 H GLN A 31 61.736 3.337 -4.119 1.00 0.00 H new ATOM 0 HA GLN A 31 63.003 5.679 -3.151 1.00 0.00 H new ATOM 0 HB2 GLN A 31 63.764 4.681 -5.215 1.00 0.00 H new ATOM 0 HB3 GLN A 31 62.149 4.659 -5.895 1.00 0.00 H new ATOM 0 HG2 GLN A 31 63.305 7.326 -5.048 1.00 0.00 H new ATOM 0 HG3 GLN A 31 63.898 6.604 -6.530 1.00 0.00 H new ATOM 0 HE21 GLN A 31 61.995 9.003 -5.933 1.00 0.00 H new ATOM 0 HE22 GLN A 31 60.611 8.678 -6.982 1.00 0.00 H new ATOM 501 N ASP A 32 59.950 6.018 -4.360 1.00 0.00 N ATOM 502 CA ASP A 32 58.819 6.938 -4.431 1.00 0.00 C ATOM 503 C ASP A 32 58.173 7.120 -3.060 1.00 0.00 C ATOM 504 O ASP A 32 57.471 8.104 -2.824 1.00 0.00 O ATOM 505 CB ASP A 32 57.782 6.410 -5.421 1.00 0.00 C ATOM 506 CG ASP A 32 58.336 6.480 -6.840 1.00 0.00 C ATOM 507 OD1 ASP A 32 58.406 5.444 -7.480 1.00 0.00 O ATOM 508 OD2 ASP A 32 58.687 7.569 -7.263 1.00 0.00 O ATOM 0 H ASP A 32 59.760 5.082 -4.717 1.00 0.00 H new ATOM 0 HA ASP A 32 59.189 7.906 -4.769 1.00 0.00 H new ATOM 0 HB2 ASP A 32 57.521 5.381 -5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 32 56.866 6.997 -5.349 1.00 0.00 H new ATOM 513 N LYS A 33 58.406 6.168 -2.163 1.00 0.00 N ATOM 514 CA LYS A 33 57.830 6.241 -0.824 1.00 0.00 C ATOM 515 C LYS A 33 58.795 6.906 0.155 1.00 0.00 C ATOM 516 O LYS A 33 58.372 7.613 1.070 1.00 0.00 O ATOM 517 CB LYS A 33 57.492 4.834 -0.324 1.00 0.00 C ATOM 518 CG LYS A 33 56.353 4.249 -1.163 1.00 0.00 C ATOM 519 CD LYS A 33 55.115 4.059 -0.284 1.00 0.00 C ATOM 520 CE LYS A 33 53.996 3.419 -1.108 1.00 0.00 C ATOM 521 NZ LYS A 33 52.728 4.173 -0.893 1.00 0.00 N ATOM 0 H LYS A 33 58.983 5.345 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 33 56.922 6.842 -0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 33 58.371 4.193 -0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 33 57.202 4.871 0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 33 56.122 4.914 -1.995 1.00 0.00 H new ATOM 0 HG3 LYS A 33 56.657 3.294 -1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 33 55.357 3.429 0.572 1.00 0.00 H new ATOM 0 HD3 LYS A 33 54.786 5.020 0.111 1.00 0.00 H new ATOM 0 HE2 LYS A 33 54.260 3.424 -2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 33 53.866 2.377 -0.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 51.967 3.739 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 52.475 4.146 0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 52.857 5.161 -1.191 1.00 0.00 H new ATOM 535 N GLU A 34 60.090 6.668 -0.034 1.00 0.00 N ATOM 536 CA GLU A 34 61.100 7.242 0.850 1.00 0.00 C ATOM 537 C GLU A 34 61.800 8.428 0.192 1.00 0.00 C ATOM 538 O GLU A 34 62.489 9.198 0.861 1.00 0.00 O ATOM 539 CB GLU A 34 62.135 6.177 1.216 1.00 0.00 C ATOM 540 CG GLU A 34 61.437 4.994 1.889 1.00 0.00 C ATOM 541 CD GLU A 34 60.869 5.424 3.237 1.00 0.00 C ATOM 542 OE1 GLU A 34 61.603 5.367 4.210 1.00 0.00 O ATOM 543 OE2 GLU A 34 59.710 5.806 3.277 1.00 0.00 O ATOM 0 H GLU A 34 60.463 6.087 -0.785 1.00 0.00 H new ATOM 0 HA GLU A 34 60.599 7.595 1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 34 62.659 5.842 0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 34 62.885 6.599 1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 34 60.637 4.621 1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 34 62.143 4.175 2.027 1.00 0.00 H new ATOM 550 N GLY A 35 61.627 8.571 -1.116 1.00 0.00 N ATOM 551 CA GLY A 35 62.258 9.669 -1.840 1.00 0.00 C ATOM 552 C GLY A 35 63.759 9.438 -1.968 1.00 0.00 C ATOM 553 O GLY A 35 64.518 10.363 -2.259 1.00 0.00 O ATOM 0 H GLY A 35 61.061 7.948 -1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.813 9.761 -2.831 1.00 0.00 H new ATOM 0 HA3 GLY A 35 62.073 10.608 -1.319 1.00 0.00 H new ATOM 557 N ILE A 36 64.180 8.197 -1.746 1.00 0.00 N ATOM 558 CA ILE A 36 65.594 7.850 -1.835 1.00 0.00 C ATOM 559 C ILE A 36 65.914 7.249 -3.213 1.00 0.00 C ATOM 560 O ILE A 36 65.498 6.128 -3.503 1.00 0.00 O ATOM 561 CB ILE A 36 65.939 6.826 -0.750 1.00 0.00 C ATOM 562 CG1 ILE A 36 65.523 7.373 0.618 1.00 0.00 C ATOM 563 CG2 ILE A 36 67.446 6.565 -0.755 1.00 0.00 C ATOM 564 CD1 ILE A 36 65.707 6.288 1.680 1.00 0.00 C ATOM 0 H ILE A 36 63.566 7.419 -1.505 1.00 0.00 H new ATOM 0 HA ILE A 36 66.184 8.755 -1.695 1.00 0.00 H new ATOM 0 HB ILE A 36 65.408 5.895 -0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 36 66.123 8.248 0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 36 64.483 7.697 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 36 67.692 5.836 0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 36 67.745 6.177 -1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 36 67.977 7.496 -0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.411 6.678 2.654 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.088 5.426 1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 36 66.754 5.985 1.714 1.00 0.00 H new ATOM 576 N PRO A 37 66.634 7.947 -4.071 1.00 0.00 N ATOM 577 CA PRO A 37 66.976 7.417 -5.426 1.00 0.00 C ATOM 578 C PRO A 37 67.462 5.967 -5.359 1.00 0.00 C ATOM 579 O PRO A 37 67.920 5.511 -4.311 1.00 0.00 O ATOM 580 CB PRO A 37 68.087 8.353 -5.906 1.00 0.00 C ATOM 581 CG PRO A 37 67.846 9.643 -5.201 1.00 0.00 C ATOM 582 CD PRO A 37 67.197 9.296 -3.862 1.00 0.00 C ATOM 0 HA PRO A 37 66.117 7.397 -6.097 1.00 0.00 H new ATOM 0 HB2 PRO A 37 69.071 7.951 -5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 37 68.052 8.483 -6.988 1.00 0.00 H new ATOM 0 HG2 PRO A 37 68.781 10.182 -5.050 1.00 0.00 H new ATOM 0 HG3 PRO A 37 67.196 10.291 -5.790 1.00 0.00 H new ATOM 0 HD2 PRO A 37 67.927 9.302 -3.052 1.00 0.00 H new ATOM 0 HD3 PRO A 37 66.421 10.015 -3.597 1.00 0.00 H new ATOM 590 N PRO A 38 67.370 5.234 -6.443 1.00 0.00 N ATOM 591 CA PRO A 38 67.812 3.808 -6.483 1.00 0.00 C ATOM 592 C PRO A 38 69.327 3.670 -6.350 1.00 0.00 C ATOM 593 O PRO A 38 69.827 2.637 -5.905 1.00 0.00 O ATOM 594 CB PRO A 38 67.334 3.306 -7.848 1.00 0.00 C ATOM 595 CG PRO A 38 67.176 4.527 -8.692 1.00 0.00 C ATOM 596 CD PRO A 38 66.842 5.677 -7.745 1.00 0.00 C ATOM 0 HA PRO A 38 67.402 3.235 -5.652 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.056 2.617 -8.287 1.00 0.00 H new ATOM 0 HB3 PRO A 38 66.391 2.766 -7.759 1.00 0.00 H new ATOM 0 HG2 PRO A 38 68.091 4.735 -9.246 1.00 0.00 H new ATOM 0 HG3 PRO A 38 66.383 4.389 -9.427 1.00 0.00 H new ATOM 0 HD2 PRO A 38 67.308 6.608 -8.068 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.768 5.857 -7.699 1.00 0.00 H new ATOM 604 N ASP A 39 70.049 4.715 -6.738 1.00 0.00 N ATOM 605 CA ASP A 39 71.505 4.697 -6.661 1.00 0.00 C ATOM 606 C ASP A 39 71.972 4.828 -5.213 1.00 0.00 C ATOM 607 O ASP A 39 73.063 4.377 -4.862 1.00 0.00 O ATOM 608 CB ASP A 39 72.085 5.844 -7.490 1.00 0.00 C ATOM 609 CG ASP A 39 73.607 5.834 -7.402 1.00 0.00 C ATOM 610 OD1 ASP A 39 74.203 6.865 -7.667 1.00 0.00 O ATOM 611 OD2 ASP A 39 74.155 4.794 -7.071 1.00 0.00 O ATOM 0 H ASP A 39 69.653 5.580 -7.107 1.00 0.00 H new ATOM 0 HA ASP A 39 71.857 3.745 -7.058 1.00 0.00 H new ATOM 0 HB2 ASP A 39 71.772 5.747 -8.530 1.00 0.00 H new ATOM 0 HB3 ASP A 39 71.698 6.797 -7.129 1.00 0.00 H new ATOM 616 N GLN A 40 71.143 5.451 -4.380 1.00 0.00 N ATOM 617 CA GLN A 40 71.487 5.639 -2.973 1.00 0.00 C ATOM 618 C GLN A 40 70.735 4.644 -2.094 1.00 0.00 C ATOM 619 O GLN A 40 70.689 4.797 -0.873 1.00 0.00 O ATOM 620 CB GLN A 40 71.143 7.067 -2.542 1.00 0.00 C ATOM 621 CG GLN A 40 72.391 7.947 -2.640 1.00 0.00 C ATOM 622 CD GLN A 40 71.988 9.416 -2.708 1.00 0.00 C ATOM 623 OE1 GLN A 40 72.812 10.273 -3.025 1.00 0.00 O ATOM 624 NE2 GLN A 40 70.759 9.758 -2.430 1.00 0.00 N ATOM 0 H GLN A 40 70.236 5.831 -4.651 1.00 0.00 H new ATOM 0 HA GLN A 40 72.557 5.468 -2.854 1.00 0.00 H new ATOM 0 HB2 GLN A 40 70.352 7.468 -3.175 1.00 0.00 H new ATOM 0 HB3 GLN A 40 70.764 7.068 -1.520 1.00 0.00 H new ATOM 0 HG2 GLN A 40 73.035 7.777 -1.777 1.00 0.00 H new ATOM 0 HG3 GLN A 40 72.967 7.678 -3.525 1.00 0.00 H new ATOM 0 HE21 GLN A 40 70.078 9.045 -2.168 1.00 0.00 H new ATOM 0 HE22 GLN A 40 70.480 10.738 -2.475 1.00 0.00 H new ATOM 633 N GLN A 41 70.147 3.628 -2.723 1.00 0.00 N ATOM 634 CA GLN A 41 69.399 2.611 -1.993 1.00 0.00 C ATOM 635 C GLN A 41 69.991 1.229 -2.255 1.00 0.00 C ATOM 636 O GLN A 41 70.366 0.908 -3.383 1.00 0.00 O ATOM 637 CB GLN A 41 67.927 2.649 -2.425 1.00 0.00 C ATOM 638 CG GLN A 41 67.300 1.258 -2.294 1.00 0.00 C ATOM 639 CD GLN A 41 65.780 1.371 -2.325 1.00 0.00 C ATOM 640 OE1 GLN A 41 65.087 0.624 -1.634 1.00 0.00 O ATOM 641 NE2 GLN A 41 65.216 2.265 -3.090 1.00 0.00 N ATOM 0 H GLN A 41 70.175 3.489 -3.733 1.00 0.00 H new ATOM 0 HA GLN A 41 69.464 2.816 -0.925 1.00 0.00 H new ATOM 0 HB2 GLN A 41 67.378 3.362 -1.810 1.00 0.00 H new ATOM 0 HB3 GLN A 41 67.852 2.994 -3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 41 67.643 0.617 -3.106 1.00 0.00 H new ATOM 0 HG3 GLN A 41 67.620 0.791 -1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 41 65.792 2.883 -3.662 1.00 0.00 H new ATOM 0 HE22 GLN A 41 64.200 2.346 -3.116 1.00 0.00 H new ATOM 650 N ARG A 42 70.071 0.420 -1.205 1.00 0.00 N ATOM 651 CA ARG A 42 70.618 -0.928 -1.325 1.00 0.00 C ATOM 652 C ARG A 42 69.722 -1.933 -0.608 1.00 0.00 C ATOM 653 O ARG A 42 69.555 -1.870 0.609 1.00 0.00 O ATOM 654 CB ARG A 42 72.023 -0.975 -0.726 1.00 0.00 C ATOM 655 CG ARG A 42 73.010 -1.476 -1.780 1.00 0.00 C ATOM 656 CD ARG A 42 74.422 -1.467 -1.196 1.00 0.00 C ATOM 657 NE ARG A 42 75.231 -2.515 -1.810 1.00 0.00 N ATOM 658 CZ ARG A 42 75.570 -2.457 -3.093 1.00 0.00 C ATOM 659 NH1 ARG A 42 76.294 -3.407 -3.620 1.00 0.00 N ATOM 660 NH2 ARG A 42 75.179 -1.451 -3.827 1.00 0.00 N ATOM 0 H ARG A 42 69.766 0.671 -0.265 1.00 0.00 H new ATOM 0 HA ARG A 42 70.666 -1.190 -2.382 1.00 0.00 H new ATOM 0 HB2 ARG A 42 72.316 0.016 -0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 42 72.038 -1.633 0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 42 72.741 -2.484 -2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 42 72.967 -0.842 -2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 42 74.886 -0.495 -1.364 1.00 0.00 H new ATOM 0 HD3 ARG A 42 74.378 -1.617 -0.117 1.00 0.00 H new ATOM 0 HE ARG A 42 75.541 -3.305 -1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 42 76.599 -4.193 -3.047 1.00 0.00 H new ATOM 0 HH12 ARG A 42 76.554 -3.363 -4.605 1.00 0.00 H new ATOM 0 HH21 ARG A 42 74.613 -0.709 -3.415 1.00 0.00 H new ATOM 0 HH22 ARG A 42 75.440 -1.407 -4.812 1.00 0.00 H new ATOM 674 N LEU A 43 69.146 -2.857 -1.373 1.00 0.00 N ATOM 675 CA LEU A 43 68.264 -3.869 -0.800 1.00 0.00 C ATOM 676 C LEU A 43 68.982 -5.212 -0.695 1.00 0.00 C ATOM 677 O LEU A 43 69.407 -5.778 -1.702 1.00 0.00 O ATOM 678 CB LEU A 43 67.013 -4.023 -1.668 1.00 0.00 C ATOM 679 CG LEU A 43 65.761 -3.846 -0.806 1.00 0.00 C ATOM 680 CD1 LEU A 43 65.683 -2.401 -0.307 1.00 0.00 C ATOM 681 CD2 LEU A 43 64.521 -4.161 -1.645 1.00 0.00 C ATOM 0 H LEU A 43 69.273 -2.926 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 43 67.975 -3.547 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 43 67.022 -3.284 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 43 67.005 -5.005 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 43 65.808 -4.522 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 43 64.791 -2.276 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 43 66.568 -2.173 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 43 65.635 -1.724 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 43 63.627 -4.036 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 43 64.476 -3.483 -2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 43 64.575 -5.189 -2.003 1.00 0.00 H new ATOM 693 N ILE A 44 69.108 -5.713 0.531 1.00 0.00 N ATOM 694 CA ILE A 44 69.771 -6.991 0.765 1.00 0.00 C ATOM 695 C ILE A 44 68.916 -7.876 1.666 1.00 0.00 C ATOM 696 O ILE A 44 68.154 -7.380 2.497 1.00 0.00 O ATOM 697 CB ILE A 44 71.137 -6.767 1.422 1.00 0.00 C ATOM 698 CG1 ILE A 44 72.065 -6.006 0.465 1.00 0.00 C ATOM 699 CG2 ILE A 44 71.765 -8.119 1.762 1.00 0.00 C ATOM 700 CD1 ILE A 44 71.961 -4.504 0.734 1.00 0.00 C ATOM 0 H ILE A 44 68.761 -5.255 1.374 1.00 0.00 H new ATOM 0 HA ILE A 44 69.909 -7.486 -0.196 1.00 0.00 H new ATOM 0 HB ILE A 44 71.001 -6.181 2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 44 73.094 -6.339 0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 44 71.793 -6.220 -0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 44 72.737 -7.961 2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 44 71.115 -8.660 2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 44 71.892 -8.701 0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 44 72.621 -3.966 0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 44 70.933 -4.177 0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 44 72.255 -4.297 1.763 1.00 0.00 H new ATOM 712 N PHE A 45 69.047 -9.188 1.496 1.00 0.00 N ATOM 713 CA PHE A 45 68.279 -10.133 2.300 1.00 0.00 C ATOM 714 C PHE A 45 69.118 -11.367 2.619 1.00 0.00 C ATOM 715 O PHE A 45 69.631 -12.030 1.718 1.00 0.00 O ATOM 716 CB PHE A 45 67.015 -10.553 1.548 1.00 0.00 C ATOM 717 CG PHE A 45 66.315 -11.651 2.315 1.00 0.00 C ATOM 718 CD1 PHE A 45 66.242 -12.943 1.781 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.741 -11.375 3.561 1.00 0.00 C ATOM 720 CE1 PHE A 45 65.593 -13.959 2.493 1.00 0.00 C ATOM 721 CE2 PHE A 45 65.092 -12.391 4.274 1.00 0.00 C ATOM 722 CZ PHE A 45 65.018 -13.683 3.739 1.00 0.00 C ATOM 0 H PHE A 45 69.672 -9.619 0.815 1.00 0.00 H new ATOM 0 HA PHE A 45 67.999 -9.645 3.234 1.00 0.00 H new ATOM 0 HB2 PHE A 45 66.350 -9.698 1.427 1.00 0.00 H new ATOM 0 HB3 PHE A 45 67.273 -10.901 0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 45 66.686 -13.156 0.820 1.00 0.00 H new ATOM 0 HD2 PHE A 45 65.798 -10.378 3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 45 65.536 -14.956 2.081 1.00 0.00 H new ATOM 0 HE2 PHE A 45 64.649 -12.178 5.236 1.00 0.00 H new ATOM 0 HZ PHE A 45 64.517 -14.467 4.288 1.00 0.00 H new ATOM 879 N LEU A 56 69.161 -11.287 -5.773 1.00 0.00 N ATOM 880 CA LEU A 56 68.394 -11.476 -4.547 1.00 0.00 C ATOM 881 C LEU A 56 67.077 -12.183 -4.848 1.00 0.00 C ATOM 882 O LEU A 56 66.620 -13.021 -4.070 1.00 0.00 O ATOM 883 CB LEU A 56 68.110 -10.123 -3.888 1.00 0.00 C ATOM 884 CG LEU A 56 69.427 -9.400 -3.582 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.187 -7.889 -3.576 1.00 0.00 C ATOM 886 CD2 LEU A 56 69.944 -9.836 -2.209 1.00 0.00 C ATOM 0 HA LEU A 56 68.981 -12.092 -3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 56 67.494 -9.511 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.544 -10.269 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 56 70.164 -9.651 -4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 56 70.122 -7.373 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 56 68.818 -7.575 -4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 56 68.450 -7.641 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 56 70.880 -9.321 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 56 69.207 -9.585 -1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 56 70.113 -10.913 -2.209 1.00 0.00 H new ATOM 898 N SER A 57 66.472 -11.841 -5.981 1.00 0.00 N ATOM 899 CA SER A 57 65.207 -12.450 -6.375 1.00 0.00 C ATOM 900 C SER A 57 65.387 -13.945 -6.617 1.00 0.00 C ATOM 901 O SER A 57 64.463 -14.732 -6.414 1.00 0.00 O ATOM 902 CB SER A 57 64.681 -11.785 -7.646 1.00 0.00 C ATOM 903 OG SER A 57 65.127 -10.435 -7.689 1.00 0.00 O ATOM 0 H SER A 57 66.834 -11.150 -6.638 1.00 0.00 H new ATOM 0 HA SER A 57 64.488 -12.307 -5.568 1.00 0.00 H new ATOM 0 HB2 SER A 57 65.033 -12.325 -8.525 1.00 0.00 H new ATOM 0 HB3 SER A 57 63.592 -11.821 -7.665 1.00 0.00 H new ATOM 0 HG SER A 57 64.793 -10.006 -8.504 1.00 0.00 H new ATOM 909 N ASP A 58 66.583 -14.328 -7.052 1.00 0.00 N ATOM 910 CA ASP A 58 66.874 -15.732 -7.318 1.00 0.00 C ATOM 911 C ASP A 58 66.713 -16.563 -6.049 1.00 0.00 C ATOM 912 O ASP A 58 66.679 -17.793 -6.101 1.00 0.00 O ATOM 913 CB ASP A 58 68.302 -15.877 -7.848 1.00 0.00 C ATOM 914 CG ASP A 58 68.292 -16.621 -9.180 1.00 0.00 C ATOM 915 OD1 ASP A 58 68.461 -17.828 -9.164 1.00 0.00 O ATOM 916 OD2 ASP A 58 68.116 -15.970 -10.196 1.00 0.00 O ATOM 0 H ASP A 58 67.361 -13.692 -7.227 1.00 0.00 H new ATOM 0 HA ASP A 58 66.170 -16.094 -8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 58 68.753 -14.893 -7.975 1.00 0.00 H new ATOM 0 HB3 ASP A 58 68.914 -16.417 -7.125 1.00 0.00 H new ATOM 921 N TYR A 59 66.612 -15.884 -4.912 1.00 0.00 N ATOM 922 CA TYR A 59 66.455 -16.571 -3.635 1.00 0.00 C ATOM 923 C TYR A 59 64.979 -16.817 -3.340 1.00 0.00 C ATOM 924 O TYR A 59 64.629 -17.394 -2.310 1.00 0.00 O ATOM 925 CB TYR A 59 67.071 -15.736 -2.510 1.00 0.00 C ATOM 926 CG TYR A 59 67.681 -16.655 -1.478 1.00 0.00 C ATOM 927 CD1 TYR A 59 67.139 -16.720 -0.189 1.00 0.00 C ATOM 928 CD2 TYR A 59 68.789 -17.442 -1.812 1.00 0.00 C ATOM 929 CE1 TYR A 59 67.705 -17.572 0.766 1.00 0.00 C ATOM 930 CE2 TYR A 59 69.355 -18.294 -0.858 1.00 0.00 C ATOM 931 CZ TYR A 59 68.814 -18.360 0.432 1.00 0.00 C ATOM 932 OH TYR A 59 69.373 -19.200 1.373 1.00 0.00 O ATOM 0 H TYR A 59 66.636 -14.866 -4.848 1.00 0.00 H new ATOM 0 HA TYR A 59 66.968 -17.531 -3.694 1.00 0.00 H new ATOM 0 HB2 TYR A 59 67.832 -15.068 -2.913 1.00 0.00 H new ATOM 0 HB3 TYR A 59 66.308 -15.109 -2.049 1.00 0.00 H new ATOM 0 HD1 TYR A 59 66.284 -16.113 0.068 1.00 0.00 H new ATOM 0 HD2 TYR A 59 69.207 -17.391 -2.807 1.00 0.00 H new ATOM 0 HE1 TYR A 59 67.287 -17.622 1.761 1.00 0.00 H new ATOM 0 HE2 TYR A 59 70.210 -18.901 -1.116 1.00 0.00 H new ATOM 0 HH TYR A 59 70.133 -19.675 0.977 1.00 0.00 H new ATOM 942 N ASN A 60 64.119 -16.377 -4.251 1.00 0.00 N ATOM 943 CA ASN A 60 62.682 -16.555 -4.080 1.00 0.00 C ATOM 944 C ASN A 60 62.232 -16.029 -2.722 1.00 0.00 C ATOM 945 O ASN A 60 61.545 -16.725 -1.974 1.00 0.00 O ATOM 946 CB ASN A 60 62.322 -18.038 -4.202 1.00 0.00 C ATOM 947 CG ASN A 60 62.958 -18.626 -5.457 1.00 0.00 C ATOM 948 OD1 ASN A 60 63.523 -19.719 -5.414 1.00 0.00 O ATOM 949 ND2 ASN A 60 62.900 -17.962 -6.579 1.00 0.00 N ATOM 0 H ASN A 60 64.389 -15.898 -5.110 1.00 0.00 H new ATOM 0 HA ASN A 60 62.170 -15.991 -4.860 1.00 0.00 H new ATOM 0 HB2 ASN A 60 62.668 -18.579 -3.321 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.239 -18.156 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 60 63.323 -18.348 -7.423 1.00 0.00 H new ATOM 0 HD22 ASN A 60 62.431 -17.057 -6.612 1.00 0.00 H new ATOM 956 N ILE A 61 62.624 -14.797 -2.411 1.00 0.00 N ATOM 957 CA ILE A 61 62.253 -14.187 -1.139 1.00 0.00 C ATOM 958 C ILE A 61 60.802 -14.507 -0.796 1.00 0.00 C ATOM 959 O ILE A 61 59.928 -14.477 -1.662 1.00 0.00 O ATOM 960 CB ILE A 61 62.442 -12.672 -1.211 1.00 0.00 C ATOM 961 CG1 ILE A 61 63.916 -12.334 -0.965 1.00 0.00 C ATOM 962 CG2 ILE A 61 61.580 -11.994 -0.144 1.00 0.00 C ATOM 963 CD1 ILE A 61 64.172 -10.874 -1.336 1.00 0.00 C ATOM 0 H ILE A 61 63.194 -14.206 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 61 62.897 -14.595 -0.360 1.00 0.00 H new ATOM 0 HB ILE A 61 62.142 -12.315 -2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 61 64.170 -12.504 0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.554 -12.989 -1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.717 -10.914 -0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 61 60.531 -12.236 -0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 61 61.877 -12.349 0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 61 65.220 -10.633 -1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 61 63.934 -10.719 -2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.544 -10.227 -0.723 1.00 0.00 H new ATOM 975 N GLN A 62 60.553 -14.816 0.472 1.00 0.00 N ATOM 976 CA GLN A 62 59.203 -15.143 0.916 1.00 0.00 C ATOM 977 C GLN A 62 58.526 -13.922 1.530 1.00 0.00 C ATOM 978 O GLN A 62 59.132 -12.857 1.647 1.00 0.00 O ATOM 979 CB GLN A 62 59.256 -16.274 1.946 1.00 0.00 C ATOM 980 CG GLN A 62 60.334 -17.279 1.541 1.00 0.00 C ATOM 981 CD GLN A 62 60.170 -18.572 2.334 1.00 0.00 C ATOM 982 OE1 GLN A 62 59.846 -18.535 3.521 1.00 0.00 O ATOM 983 NE2 GLN A 62 60.375 -19.717 1.746 1.00 0.00 N ATOM 0 H GLN A 62 61.262 -14.847 1.205 1.00 0.00 H new ATOM 0 HA GLN A 62 58.623 -15.464 0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 62 59.473 -15.870 2.935 1.00 0.00 H new ATOM 0 HB3 GLN A 62 58.287 -16.769 2.009 1.00 0.00 H new ATOM 0 HG2 GLN A 62 60.265 -17.487 0.473 1.00 0.00 H new ATOM 0 HG3 GLN A 62 61.322 -16.856 1.721 1.00 0.00 H new ATOM 0 HE21 GLN A 62 60.643 -19.744 0.762 1.00 0.00 H new ATOM 0 HE22 GLN A 62 60.267 -20.586 2.270 1.00 0.00 H new ATOM 992 N LYS A 63 57.266 -14.084 1.918 1.00 0.00 N ATOM 993 CA LYS A 63 56.513 -12.988 2.516 1.00 0.00 C ATOM 994 C LYS A 63 56.903 -12.808 3.979 1.00 0.00 C ATOM 995 O LYS A 63 57.707 -13.570 4.516 1.00 0.00 O ATOM 996 CB LYS A 63 55.010 -13.261 2.418 1.00 0.00 C ATOM 997 CG LYS A 63 54.765 -14.744 2.120 1.00 0.00 C ATOM 998 CD LYS A 63 55.113 -15.050 0.659 1.00 0.00 C ATOM 999 CE LYS A 63 53.835 -15.400 -0.108 1.00 0.00 C ATOM 1000 NZ LYS A 63 53.156 -16.548 0.555 1.00 0.00 N ATOM 0 H LYS A 63 56.747 -14.958 1.830 1.00 0.00 H new ATOM 0 HA LYS A 63 56.749 -12.075 1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 63 54.520 -12.983 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 63 54.571 -12.646 1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 63 55.370 -15.361 2.784 1.00 0.00 H new ATOM 0 HG3 LYS A 63 53.722 -14.995 2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 63 55.600 -14.188 0.202 1.00 0.00 H new ATOM 0 HD3 LYS A 63 55.819 -15.879 0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 63 53.169 -14.538 -0.138 1.00 0.00 H new ATOM 0 HE3 LYS A 63 54.076 -15.653 -1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 52.751 -17.176 -0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 53.846 -17.077 1.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 52.396 -16.194 1.171 1.00 0.00 H new ATOM 1014 N GLU A 64 56.330 -11.794 4.619 1.00 0.00 N ATOM 1015 CA GLU A 64 56.625 -11.521 6.021 1.00 0.00 C ATOM 1016 C GLU A 64 58.127 -11.602 6.275 1.00 0.00 C ATOM 1017 O GLU A 64 58.563 -11.930 7.379 1.00 0.00 O ATOM 1018 CB GLU A 64 55.900 -12.529 6.914 1.00 0.00 C ATOM 1019 CG GLU A 64 54.412 -12.182 6.973 1.00 0.00 C ATOM 1020 CD GLU A 64 53.606 -13.404 7.404 1.00 0.00 C ATOM 1021 OE1 GLU A 64 52.433 -13.463 7.074 1.00 0.00 O ATOM 1022 OE2 GLU A 64 54.177 -14.263 8.057 1.00 0.00 O ATOM 0 H GLU A 64 55.663 -11.151 4.192 1.00 0.00 H new ATOM 0 HA GLU A 64 56.280 -10.514 6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 64 56.034 -13.538 6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 64 56.327 -12.516 7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 64 54.249 -11.363 7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 64 54.072 -11.838 5.996 1.00 0.00 H new ATOM 1029 N SER A 65 58.912 -11.302 5.246 1.00 0.00 N ATOM 1030 CA SER A 65 60.365 -11.343 5.368 1.00 0.00 C ATOM 1031 C SER A 65 60.923 -9.946 5.621 1.00 0.00 C ATOM 1032 O SER A 65 60.477 -8.970 5.018 1.00 0.00 O ATOM 1033 CB SER A 65 60.979 -11.915 4.090 1.00 0.00 C ATOM 1034 OG SER A 65 60.838 -13.330 4.095 1.00 0.00 O ATOM 0 H SER A 65 58.570 -11.030 4.324 1.00 0.00 H new ATOM 0 HA SER A 65 60.621 -11.982 6.213 1.00 0.00 H new ATOM 0 HB2 SER A 65 60.486 -11.492 3.215 1.00 0.00 H new ATOM 0 HB3 SER A 65 62.033 -11.643 4.025 1.00 0.00 H new ATOM 0 HG SER A 65 59.897 -13.565 4.238 1.00 0.00 H new ATOM 1040 N THR A 66 61.901 -9.859 6.517 1.00 0.00 N ATOM 1041 CA THR A 66 62.513 -8.576 6.844 1.00 0.00 C ATOM 1042 C THR A 66 63.655 -8.268 5.880 1.00 0.00 C ATOM 1043 O THR A 66 64.641 -9.001 5.815 1.00 0.00 O ATOM 1044 CB THR A 66 63.044 -8.599 8.278 1.00 0.00 C ATOM 1045 OG1 THR A 66 62.096 -9.234 9.123 1.00 0.00 O ATOM 1046 CG2 THR A 66 63.284 -7.168 8.759 1.00 0.00 C ATOM 0 H THR A 66 62.284 -10.655 7.026 1.00 0.00 H new ATOM 0 HA THR A 66 61.754 -7.799 6.752 1.00 0.00 H new ATOM 0 HB THR A 66 63.983 -9.151 8.309 1.00 0.00 H new ATOM 0 HG1 THR A 66 62.436 -9.251 10.042 1.00 0.00 H new ATOM 0 HG21 THR A 66 63.662 -7.186 9.781 1.00 0.00 H new ATOM 0 HG22 THR A 66 64.014 -6.684 8.110 1.00 0.00 H new ATOM 0 HG23 THR A 66 62.347 -6.612 8.729 1.00 0.00 H new ATOM 1054 N LEU A 67 63.514 -7.178 5.133 1.00 0.00 N ATOM 1055 CA LEU A 67 64.537 -6.778 4.175 1.00 0.00 C ATOM 1056 C LEU A 67 65.493 -5.770 4.804 1.00 0.00 C ATOM 1057 O LEU A 67 65.091 -4.956 5.636 1.00 0.00 O ATOM 1058 CB LEU A 67 63.881 -6.162 2.937 1.00 0.00 C ATOM 1059 CG LEU A 67 63.793 -7.211 1.830 1.00 0.00 C ATOM 1060 CD1 LEU A 67 63.018 -8.428 2.338 1.00 0.00 C ATOM 1061 CD2 LEU A 67 63.067 -6.615 0.621 1.00 0.00 C ATOM 0 H LEU A 67 62.705 -6.558 5.172 1.00 0.00 H new ATOM 0 HA LEU A 67 65.102 -7.663 3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 67 62.885 -5.795 3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 67 64.460 -5.304 2.594 1.00 0.00 H new ATOM 0 HG LEU A 67 64.798 -7.516 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 67 62.956 -9.176 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 67 63.532 -8.853 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 67 62.013 -8.124 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 67 63.003 -7.362 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 67 62.062 -6.310 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 67 63.618 -5.748 0.257 1.00 0.00 H new ATOM 1073 N HIS A 68 66.759 -5.831 4.406 1.00 0.00 N ATOM 1074 CA HIS A 68 67.762 -4.919 4.943 1.00 0.00 C ATOM 1075 C HIS A 68 67.989 -3.751 3.988 1.00 0.00 C ATOM 1076 O HIS A 68 68.638 -3.898 2.952 1.00 0.00 O ATOM 1077 CB HIS A 68 69.081 -5.663 5.165 1.00 0.00 C ATOM 1078 CG HIS A 68 68.924 -6.624 6.312 1.00 0.00 C ATOM 1079 ND1 HIS A 68 68.483 -7.925 6.129 1.00 0.00 N ATOM 1080 CD2 HIS A 68 69.144 -6.487 7.660 1.00 0.00 C ATOM 1081 CE1 HIS A 68 68.453 -8.515 7.339 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.845 -7.683 8.305 1.00 0.00 N ATOM 0 H HIS A 68 67.113 -6.497 3.719 1.00 0.00 H new ATOM 0 HA HIS A 68 67.400 -4.531 5.895 1.00 0.00 H new ATOM 0 HB2 HIS A 68 69.364 -6.202 4.261 1.00 0.00 H new ATOM 0 HB3 HIS A 68 69.881 -4.953 5.377 1.00 0.00 H new ATOM 0 HD2 HIS A 68 69.495 -5.589 8.146 1.00 0.00 H new ATOM 0 HE1 HIS A 68 68.149 -9.538 7.507 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.911 -7.881 9.303 1.00 0.00 H new ATOM 1090 N LEU A 69 67.446 -2.592 4.344 1.00 0.00 N ATOM 1091 CA LEU A 69 67.589 -1.401 3.513 1.00 0.00 C ATOM 1092 C LEU A 69 68.816 -0.601 3.940 1.00 0.00 C ATOM 1093 O LEU A 69 68.843 -0.024 5.028 1.00 0.00 O ATOM 1094 CB LEU A 69 66.327 -0.537 3.633 1.00 0.00 C ATOM 1095 CG LEU A 69 66.549 0.830 2.972 1.00 0.00 C ATOM 1096 CD1 LEU A 69 67.118 0.642 1.564 1.00 0.00 C ATOM 1097 CD2 LEU A 69 65.211 1.567 2.880 1.00 0.00 C ATOM 0 H LEU A 69 66.906 -2.451 5.198 1.00 0.00 H new ATOM 0 HA LEU A 69 67.719 -1.705 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 69 65.485 -1.044 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 69 66.069 -0.402 4.684 1.00 0.00 H new ATOM 0 HG LEU A 69 67.253 1.409 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 69 67.273 1.617 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 69 68.069 0.113 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 69 66.418 0.062 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 69 65.363 2.539 2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 69 64.513 0.981 2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 69 64.803 1.707 3.881 1.00 0.00 H new ATOM 1109 N VAL A 70 69.826 -0.571 3.074 1.00 0.00 N ATOM 1110 CA VAL A 70 71.057 0.162 3.362 1.00 0.00 C ATOM 1111 C VAL A 70 71.239 1.311 2.374 1.00 0.00 C ATOM 1112 O VAL A 70 70.882 1.196 1.202 1.00 0.00 O ATOM 1113 CB VAL A 70 72.256 -0.783 3.274 1.00 0.00 C ATOM 1114 CG1 VAL A 70 73.395 -0.247 4.142 1.00 0.00 C ATOM 1115 CG2 VAL A 70 71.848 -2.172 3.770 1.00 0.00 C ATOM 0 H VAL A 70 69.817 -1.044 2.170 1.00 0.00 H new ATOM 0 HA VAL A 70 70.989 0.572 4.370 1.00 0.00 H new ATOM 0 HB VAL A 70 72.590 -0.849 2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 70 74.249 -0.921 4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 70 73.687 0.742 3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 70 73.062 -0.179 5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 70 72.702 -2.846 3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 70 71.514 -2.105 4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 70 71.037 -2.556 3.151 1.00 0.00 H new ATOM 1125 N LEU A 71 71.795 2.418 2.856 1.00 0.00 N ATOM 1126 CA LEU A 71 72.017 3.581 2.006 1.00 0.00 C ATOM 1127 C LEU A 71 73.471 3.641 1.546 1.00 0.00 C ATOM 1128 O LEU A 71 74.390 3.432 2.340 1.00 0.00 O ATOM 1129 CB LEU A 71 71.670 4.862 2.769 1.00 0.00 C ATOM 1130 CG LEU A 71 70.323 4.685 3.474 1.00 0.00 C ATOM 1131 CD1 LEU A 71 69.924 5.999 4.146 1.00 0.00 C ATOM 1132 CD2 LEU A 71 69.258 4.295 2.446 1.00 0.00 C ATOM 0 H LEU A 71 72.098 2.534 3.823 1.00 0.00 H new ATOM 0 HA LEU A 71 71.373 3.493 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 71 72.448 5.086 3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 71 71.625 5.707 2.082 1.00 0.00 H new ATOM 0 HG LEU A 71 70.406 3.902 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 71 68.965 5.874 4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 71 70.683 6.279 4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 71 69.840 6.782 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 71 68.298 4.169 2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 71 69.174 5.079 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.542 3.359 1.965 1.00 0.00 H new ATOM 1144 N ARG A 72 73.669 3.926 0.263 1.00 0.00 N ATOM 1145 CA ARG A 72 75.014 4.011 -0.296 1.00 0.00 C ATOM 1146 C ARG A 72 75.389 5.463 -0.577 1.00 0.00 C ATOM 1147 O ARG A 72 74.896 6.067 -1.530 1.00 0.00 O ATOM 1148 CB ARG A 72 75.091 3.202 -1.593 1.00 0.00 C ATOM 1149 CG ARG A 72 76.289 3.673 -2.419 1.00 0.00 C ATOM 1150 CD ARG A 72 76.703 2.568 -3.392 1.00 0.00 C ATOM 1151 NE ARG A 72 77.440 3.134 -4.517 1.00 0.00 N ATOM 1152 CZ ARG A 72 77.877 2.365 -5.508 1.00 0.00 C ATOM 1153 NH1 ARG A 72 78.534 2.895 -6.504 1.00 0.00 N ATOM 1154 NH2 ARG A 72 77.652 1.081 -5.486 1.00 0.00 N ATOM 0 H ARG A 72 72.920 4.101 -0.406 1.00 0.00 H new ATOM 0 HA ARG A 72 75.716 3.602 0.431 1.00 0.00 H new ATOM 0 HB2 ARG A 72 75.187 2.140 -1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 72 74.171 3.324 -2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 72 76.032 4.579 -2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 72 77.121 3.924 -1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 72 77.321 1.833 -2.876 1.00 0.00 H new ATOM 0 HD3 ARG A 72 75.819 2.043 -3.755 1.00 0.00 H new ATOM 0 HE ARG A 72 77.623 4.137 -4.543 1.00 0.00 H new ATOM 0 HH11 ARG A 72 78.712 3.899 -6.521 1.00 0.00 H new ATOM 0 HH12 ARG A 72 78.870 2.305 -7.265 1.00 0.00 H new ATOM 0 HH21 ARG A 72 77.140 0.666 -4.707 1.00 0.00 H new ATOM 0 HH22 ARG A 72 77.988 0.491 -6.247 1.00 0.00 H new