USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 487 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 113:sc= 2.06 USER MOD Set 1.2: A 26 HIS : no HD1:sc= -1.37! C(o=0.69!,f=-0.91!) USER MOD Set 2.1: A 21 GLN : amide:sc= 0.546 K(o=0.94,f=-1) USER MOD Set 2.2: A 60 ASN : amide:sc= 0.391 K(o=0.94,f=0) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0398 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 168:sc=-0.00875 (180deg=-0.167) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 164:sc= -0.835 (180deg=-1.02) USER MOD Single : A 30 LYS NZ :NH3+ 170:sc=-0.00357 (180deg=-0.129) USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.1) USER MOD Single : A 36 SER OG : rot -160:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 1.05 K(o=1,f=-5!) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc=-0.000404 (180deg=-0.0655) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0299 F(o=-1.4!,f=-0.03) USER MOD Single : A 54 ASN : amide:sc= -0.245 K(o=-0.25,f=-4!) USER MOD Single : A 55 GLN : amide:sc= -1.82 X(o=-1.8,f=-2.2!) USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= -0.16 (180deg=-0.594) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.035 -24.052 -0.479 1.00 0.00 N ATOM 2 CA GLY A 1 10.249 -25.394 -1.031 1.00 0.00 C ATOM 3 C GLY A 1 11.580 -25.476 -1.736 1.00 0.00 C ATOM 4 O GLY A 1 12.539 -24.825 -1.314 1.00 0.00 O ATOM 0 H1 GLY A 1 9.735 -24.129 0.514 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.921 -23.509 -0.532 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.297 -23.565 -1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.210 -26.132 -0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.447 -25.638 -1.728 1.00 0.00 H new ATOM 10 N PRO A 2 11.681 -26.270 -2.807 1.00 0.00 N ATOM 11 CA PRO A 2 12.902 -26.384 -3.594 1.00 0.00 C ATOM 12 C PRO A 2 13.118 -25.154 -4.464 1.00 0.00 C ATOM 13 O PRO A 2 12.175 -24.400 -4.736 1.00 0.00 O ATOM 14 CB PRO A 2 12.648 -27.621 -4.455 1.00 0.00 C ATOM 15 CG PRO A 2 11.179 -27.617 -4.661 1.00 0.00 C ATOM 16 CD PRO A 2 10.591 -27.099 -3.373 1.00 0.00 C ATOM 0 HA PRO A 2 13.797 -26.464 -2.977 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.184 -27.565 -5.402 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.979 -28.531 -3.954 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.903 -26.981 -5.502 1.00 0.00 H new ATOM 0 HG3 PRO A 2 10.812 -28.619 -4.885 1.00 0.00 H new ATOM 0 HD2 PRO A 2 9.690 -26.512 -3.550 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.315 -27.912 -2.702 1.00 0.00 H new ATOM 24 N LEU A 3 14.340 -24.933 -4.875 1.00 0.00 N ATOM 25 CA LEU A 3 14.635 -23.828 -5.749 1.00 0.00 C ATOM 26 C LEU A 3 14.741 -24.319 -7.177 1.00 0.00 C ATOM 27 O LEU A 3 15.471 -25.277 -7.469 1.00 0.00 O ATOM 28 CB LEU A 3 15.940 -23.144 -5.339 1.00 0.00 C ATOM 29 CG LEU A 3 16.339 -21.912 -6.157 1.00 0.00 C ATOM 30 CD1 LEU A 3 15.341 -20.784 -5.964 1.00 0.00 C ATOM 31 CD2 LEU A 3 17.741 -21.458 -5.796 1.00 0.00 C ATOM 0 H LEU A 3 15.146 -25.503 -4.619 1.00 0.00 H new ATOM 0 HA LEU A 3 13.826 -23.102 -5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 3 15.860 -22.850 -4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 3 16.746 -23.875 -5.404 1.00 0.00 H new ATOM 0 HG LEU A 3 16.332 -22.191 -7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.648 -19.922 -6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.353 -21.113 -6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.304 -20.507 -4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 3 18.004 -20.582 -6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 3 17.780 -21.204 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 3 18.448 -22.261 -6.003 1.00 0.00 H new ATOM 43 N GLY A 4 14.000 -23.689 -8.056 1.00 0.00 N ATOM 44 CA GLY A 4 14.096 -23.997 -9.451 1.00 0.00 C ATOM 45 C GLY A 4 15.129 -23.129 -10.115 1.00 0.00 C ATOM 46 O GLY A 4 16.301 -23.114 -9.711 1.00 0.00 O ATOM 0 H GLY A 4 13.325 -22.960 -7.824 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.358 -25.047 -9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.128 -23.849 -9.929 1.00 0.00 H new ATOM 50 N SER A 5 14.724 -22.413 -11.119 1.00 0.00 N ATOM 51 CA SER A 5 15.600 -21.494 -11.783 1.00 0.00 C ATOM 52 C SER A 5 14.905 -20.157 -11.959 1.00 0.00 C ATOM 53 O SER A 5 13.683 -20.102 -12.149 1.00 0.00 O ATOM 54 CB SER A 5 15.985 -22.049 -13.152 1.00 0.00 C ATOM 55 OG SER A 5 16.517 -23.359 -13.045 1.00 0.00 O ATOM 0 H SER A 5 13.779 -22.448 -11.501 1.00 0.00 H new ATOM 0 HA SER A 5 16.498 -21.358 -11.180 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.109 -22.061 -13.801 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.719 -21.393 -13.620 1.00 0.00 H new ATOM 0 HG SER A 5 16.753 -23.690 -13.937 1.00 0.00 H new ATOM 61 N LYS A 6 15.665 -19.083 -11.880 1.00 0.00 N ATOM 62 CA LYS A 6 15.135 -17.784 -12.204 1.00 0.00 C ATOM 63 C LYS A 6 15.424 -17.512 -13.680 1.00 0.00 C ATOM 64 O LYS A 6 14.955 -16.542 -14.268 1.00 0.00 O ATOM 65 CB LYS A 6 15.701 -16.693 -11.292 1.00 0.00 C ATOM 66 CG LYS A 6 14.938 -15.377 -11.379 1.00 0.00 C ATOM 67 CD LYS A 6 13.496 -15.558 -10.912 1.00 0.00 C ATOM 68 CE LYS A 6 12.688 -14.276 -11.024 1.00 0.00 C ATOM 69 NZ LYS A 6 12.569 -13.809 -12.427 1.00 0.00 N ATOM 0 H LYS A 6 16.645 -19.088 -11.596 1.00 0.00 H new ATOM 0 HA LYS A 6 14.058 -17.771 -12.036 1.00 0.00 H new ATOM 0 HB2 LYS A 6 15.685 -17.047 -10.261 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.745 -16.517 -11.552 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.432 -14.623 -10.766 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.950 -15.011 -12.406 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.019 -16.338 -11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.492 -15.898 -9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.692 -14.439 -10.612 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.159 -13.498 -10.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.851 -13.059 -12.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.485 -13.436 -12.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.287 -14.604 -13.035 1.00 0.00 H new ATOM 83 N TYR A 7 16.207 -18.419 -14.268 1.00 0.00 N ATOM 84 CA TYR A 7 16.447 -18.465 -15.708 1.00 0.00 C ATOM 85 C TYR A 7 15.298 -19.229 -16.373 1.00 0.00 C ATOM 86 O TYR A 7 15.491 -19.996 -17.318 1.00 0.00 O ATOM 87 CB TYR A 7 17.782 -19.169 -16.011 1.00 0.00 C ATOM 88 CG TYR A 7 19.020 -18.416 -15.565 1.00 0.00 C ATOM 89 CD1 TYR A 7 19.594 -17.453 -16.383 1.00 0.00 C ATOM 90 CD2 TYR A 7 19.619 -18.675 -14.339 1.00 0.00 C ATOM 91 CE1 TYR A 7 20.725 -16.765 -15.995 1.00 0.00 C ATOM 92 CE2 TYR A 7 20.754 -17.989 -13.942 1.00 0.00 C ATOM 93 CZ TYR A 7 21.302 -17.034 -14.776 1.00 0.00 C ATOM 94 OH TYR A 7 22.429 -16.342 -14.389 1.00 0.00 O ATOM 0 H TYR A 7 16.696 -19.149 -13.750 1.00 0.00 H new ATOM 0 HA TYR A 7 16.499 -17.449 -16.098 1.00 0.00 H new ATOM 0 HB2 TYR A 7 17.777 -20.147 -15.530 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.848 -19.343 -17.085 1.00 0.00 H new ATOM 0 HD1 TYR A 7 19.146 -17.238 -17.342 1.00 0.00 H new ATOM 0 HD2 TYR A 7 19.193 -19.422 -13.686 1.00 0.00 H new ATOM 0 HE1 TYR A 7 21.155 -16.018 -16.646 1.00 0.00 H new ATOM 0 HE2 TYR A 7 21.209 -18.199 -12.985 1.00 0.00 H new ATOM 0 HH TYR A 7 22.712 -16.648 -13.502 1.00 0.00 H new ATOM 104 N GLU A 8 14.113 -19.000 -15.858 1.00 0.00 N ATOM 105 CA GLU A 8 12.911 -19.644 -16.310 1.00 0.00 C ATOM 106 C GLU A 8 11.905 -18.587 -16.732 1.00 0.00 C ATOM 107 O GLU A 8 11.641 -17.643 -15.988 1.00 0.00 O ATOM 108 CB GLU A 8 12.343 -20.486 -15.168 1.00 0.00 C ATOM 109 CG GLU A 8 11.058 -21.230 -15.489 1.00 0.00 C ATOM 110 CD GLU A 8 10.562 -22.021 -14.301 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.977 -21.416 -13.373 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.760 -23.255 -14.274 1.00 0.00 O ATOM 0 H GLU A 8 13.959 -18.343 -15.093 1.00 0.00 H new ATOM 0 HA GLU A 8 13.125 -20.289 -17.162 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.097 -21.211 -14.863 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.163 -19.835 -14.313 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.292 -20.518 -15.798 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.227 -21.903 -16.330 1.00 0.00 H new ATOM 119 N CYS A 9 11.382 -18.730 -17.927 1.00 0.00 N ATOM 120 CA CYS A 9 10.351 -17.855 -18.430 1.00 0.00 C ATOM 121 C CYS A 9 9.016 -18.226 -17.784 1.00 0.00 C ATOM 122 O CYS A 9 8.487 -19.297 -18.049 1.00 0.00 O ATOM 123 CB CYS A 9 10.280 -18.018 -19.950 1.00 0.00 C ATOM 124 SG CYS A 9 8.894 -17.178 -20.804 1.00 0.00 S ATOM 0 H CYS A 9 11.662 -19.461 -18.581 1.00 0.00 H new ATOM 0 HA CYS A 9 10.574 -16.816 -18.189 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.214 -17.651 -20.375 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.223 -19.083 -20.176 1.00 0.00 H new ATOM 129 N PRO A 10 8.461 -17.348 -16.928 1.00 0.00 N ATOM 130 CA PRO A 10 7.216 -17.624 -16.189 1.00 0.00 C ATOM 131 C PRO A 10 6.014 -17.865 -17.102 1.00 0.00 C ATOM 132 O PRO A 10 4.999 -18.394 -16.667 1.00 0.00 O ATOM 133 CB PRO A 10 6.994 -16.348 -15.370 1.00 0.00 C ATOM 134 CG PRO A 10 8.336 -15.721 -15.280 1.00 0.00 C ATOM 135 CD PRO A 10 9.014 -16.032 -16.580 1.00 0.00 C ATOM 0 HA PRO A 10 7.307 -18.533 -15.594 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.279 -15.685 -15.856 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.596 -16.576 -14.381 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.256 -14.645 -15.127 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.900 -16.122 -14.438 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.791 -15.285 -17.342 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.098 -16.064 -16.473 1.00 0.00 H new ATOM 143 N ILE A 11 6.107 -17.426 -18.345 1.00 0.00 N ATOM 144 CA ILE A 11 5.045 -17.672 -19.307 1.00 0.00 C ATOM 145 C ILE A 11 4.918 -19.176 -19.647 1.00 0.00 C ATOM 146 O ILE A 11 3.814 -19.721 -19.691 1.00 0.00 O ATOM 147 CB ILE A 11 5.218 -16.825 -20.593 1.00 0.00 C ATOM 148 CG1 ILE A 11 5.050 -15.342 -20.250 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.191 -17.232 -21.652 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.383 -14.402 -21.387 1.00 0.00 C ATOM 0 H ILE A 11 6.901 -16.901 -18.711 1.00 0.00 H new ATOM 0 HA ILE A 11 4.115 -17.358 -18.832 1.00 0.00 H new ATOM 0 HB ILE A 11 6.215 -16.999 -20.997 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.020 -15.167 -19.938 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.686 -15.103 -19.398 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.330 -16.625 -22.546 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.325 -18.284 -21.903 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.185 -17.077 -21.262 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.238 -13.372 -21.062 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.421 -14.546 -21.686 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.730 -14.610 -22.234 1.00 0.00 H new ATOM 162 N CYS A 12 6.056 -19.839 -19.863 1.00 0.00 N ATOM 163 CA CYS A 12 6.053 -21.239 -20.291 1.00 0.00 C ATOM 164 C CYS A 12 6.539 -22.193 -19.190 1.00 0.00 C ATOM 165 O CYS A 12 6.190 -23.372 -19.184 1.00 0.00 O ATOM 166 CB CYS A 12 6.904 -21.402 -21.551 1.00 0.00 C ATOM 167 SG CYS A 12 8.609 -20.769 -21.396 1.00 0.00 S ATOM 0 H CYS A 12 6.985 -19.433 -19.750 1.00 0.00 H new ATOM 0 HA CYS A 12 5.020 -21.509 -20.510 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.944 -22.459 -21.813 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.412 -20.887 -22.376 1.00 0.00 H new ATOM 172 N LEU A 13 7.353 -21.669 -18.276 1.00 0.00 N ATOM 173 CA LEU A 13 7.950 -22.437 -17.173 1.00 0.00 C ATOM 174 C LEU A 13 8.936 -23.486 -17.673 1.00 0.00 C ATOM 175 O LEU A 13 9.213 -24.463 -16.983 1.00 0.00 O ATOM 176 CB LEU A 13 6.902 -23.085 -16.237 1.00 0.00 C ATOM 177 CG LEU A 13 6.106 -22.151 -15.317 1.00 0.00 C ATOM 178 CD1 LEU A 13 5.054 -21.382 -16.089 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.475 -22.928 -14.176 1.00 0.00 C ATOM 0 H LEU A 13 7.623 -20.686 -18.276 1.00 0.00 H new ATOM 0 HA LEU A 13 8.497 -21.704 -16.580 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.192 -23.635 -16.855 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.414 -23.817 -15.613 1.00 0.00 H new ATOM 0 HG LEU A 13 6.804 -21.428 -14.895 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.508 -20.729 -15.408 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.536 -20.781 -16.860 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.361 -22.082 -16.555 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.916 -22.245 -13.536 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.800 -23.683 -14.579 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.256 -23.415 -13.592 1.00 0.00 H new ATOM 191 N MET A 14 9.485 -23.275 -18.857 1.00 0.00 N ATOM 192 CA MET A 14 10.455 -24.221 -19.383 1.00 0.00 C ATOM 193 C MET A 14 11.857 -23.767 -19.020 1.00 0.00 C ATOM 194 O MET A 14 12.532 -24.391 -18.193 1.00 0.00 O ATOM 195 CB MET A 14 10.345 -24.344 -20.913 1.00 0.00 C ATOM 196 CG MET A 14 9.040 -24.941 -21.414 1.00 0.00 C ATOM 197 SD MET A 14 9.016 -25.164 -23.214 1.00 0.00 S ATOM 198 CE MET A 14 9.020 -23.464 -23.783 1.00 0.00 C ATOM 0 H MET A 14 9.283 -22.478 -19.460 1.00 0.00 H new ATOM 0 HA MET A 14 10.248 -25.196 -18.942 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.467 -23.354 -21.352 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.171 -24.957 -21.274 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.877 -25.904 -20.931 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.213 -24.294 -21.121 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.290 -23.434 -24.839 1.00 0.00 H new ATOM 0 HE2 MET A 14 8.027 -23.034 -23.650 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.745 -22.889 -23.207 1.00 0.00 H new ATOM 208 N ALA A 15 12.256 -22.660 -19.605 1.00 0.00 N ATOM 209 CA ALA A 15 13.565 -22.069 -19.430 1.00 0.00 C ATOM 210 C ALA A 15 13.566 -20.785 -20.215 1.00 0.00 C ATOM 211 O ALA A 15 12.502 -20.333 -20.640 1.00 0.00 O ATOM 212 CB ALA A 15 14.653 -23.006 -19.961 1.00 0.00 C ATOM 0 H ALA A 15 11.658 -22.128 -20.237 1.00 0.00 H new ATOM 0 HA ALA A 15 13.771 -21.891 -18.375 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.631 -22.545 -19.821 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.616 -23.951 -19.418 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.488 -23.191 -21.022 1.00 0.00 H new ATOM 218 N LEU A 16 14.714 -20.193 -20.412 1.00 0.00 N ATOM 219 CA LEU A 16 14.797 -19.030 -21.259 1.00 0.00 C ATOM 220 C LEU A 16 15.272 -19.451 -22.622 1.00 0.00 C ATOM 221 O LEU A 16 16.433 -19.794 -22.801 1.00 0.00 O ATOM 222 CB LEU A 16 15.753 -17.998 -20.675 1.00 0.00 C ATOM 223 CG LEU A 16 15.386 -17.445 -19.305 1.00 0.00 C ATOM 224 CD1 LEU A 16 16.443 -16.468 -18.830 1.00 0.00 C ATOM 225 CD2 LEU A 16 14.027 -16.769 -19.353 1.00 0.00 C ATOM 0 H LEU A 16 15.599 -20.493 -20.002 1.00 0.00 H new ATOM 0 HA LEU A 16 13.810 -18.574 -21.331 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.744 -18.447 -20.610 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.826 -17.164 -21.373 1.00 0.00 H new ATOM 0 HG LEU A 16 15.336 -18.274 -18.599 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.166 -16.081 -17.849 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.404 -16.977 -18.761 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.519 -15.642 -19.537 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.779 -16.379 -18.366 1.00 0.00 H new ATOM 0 HD22 LEU A 16 14.054 -15.949 -20.071 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.271 -17.493 -19.657 1.00 0.00 H new ATOM 237 N ARG A 17 14.365 -19.460 -23.579 1.00 0.00 N ATOM 238 CA ARG A 17 14.715 -19.819 -24.942 1.00 0.00 C ATOM 239 C ARG A 17 15.600 -18.745 -25.563 1.00 0.00 C ATOM 240 O ARG A 17 16.607 -19.040 -26.199 1.00 0.00 O ATOM 241 CB ARG A 17 13.441 -20.014 -25.774 1.00 0.00 C ATOM 242 CG ARG A 17 13.678 -20.434 -27.218 1.00 0.00 C ATOM 243 CD ARG A 17 14.321 -21.806 -27.301 1.00 0.00 C ATOM 244 NE ARG A 17 14.523 -22.221 -28.682 1.00 0.00 N ATOM 245 CZ ARG A 17 15.185 -23.308 -29.062 1.00 0.00 C ATOM 246 NH1 ARG A 17 15.768 -24.090 -28.157 1.00 0.00 N ATOM 247 NH2 ARG A 17 15.267 -23.607 -30.352 1.00 0.00 N ATOM 0 H ARG A 17 13.382 -19.224 -23.440 1.00 0.00 H new ATOM 0 HA ARG A 17 15.272 -20.756 -24.929 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.819 -20.767 -25.289 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.875 -19.082 -25.770 1.00 0.00 H new ATOM 0 HG2 ARG A 17 12.730 -20.443 -27.756 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.317 -19.701 -27.711 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.279 -21.791 -26.781 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.692 -22.535 -26.790 1.00 0.00 H new ATOM 0 HE ARG A 17 14.126 -21.632 -29.414 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.708 -23.856 -27.166 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.275 -24.924 -28.454 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.823 -23.004 -31.045 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.774 -24.440 -30.651 1.00 0.00 H new ATOM 261 N GLU A 18 15.228 -17.498 -25.343 1.00 0.00 N ATOM 262 CA GLU A 18 15.926 -16.386 -25.970 1.00 0.00 C ATOM 263 C GLU A 18 16.435 -15.395 -24.923 1.00 0.00 C ATOM 264 O GLU A 18 17.269 -14.543 -25.222 1.00 0.00 O ATOM 265 CB GLU A 18 14.993 -15.680 -26.939 1.00 0.00 C ATOM 266 CG GLU A 18 14.480 -16.574 -28.061 1.00 0.00 C ATOM 267 CD GLU A 18 15.582 -17.100 -28.937 1.00 0.00 C ATOM 268 OE1 GLU A 18 16.319 -16.289 -29.524 1.00 0.00 O ATOM 269 OE2 GLU A 18 15.720 -18.325 -29.060 1.00 0.00 O ATOM 0 H GLU A 18 14.452 -17.228 -24.739 1.00 0.00 H new ATOM 0 HA GLU A 18 16.787 -16.780 -26.510 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.142 -15.283 -26.385 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.515 -14.828 -27.375 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.933 -17.413 -27.630 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.773 -16.013 -28.672 1.00 0.00 H new ATOM 276 N ALA A 19 15.907 -15.522 -23.698 1.00 0.00 N ATOM 277 CA ALA A 19 16.258 -14.659 -22.562 1.00 0.00 C ATOM 278 C ALA A 19 16.151 -13.163 -22.881 1.00 0.00 C ATOM 279 O ALA A 19 17.141 -12.513 -23.227 1.00 0.00 O ATOM 280 CB ALA A 19 17.635 -15.005 -22.004 1.00 0.00 C ATOM 0 H ALA A 19 15.216 -16.235 -23.465 1.00 0.00 H new ATOM 0 HA ALA A 19 15.514 -14.861 -21.791 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.863 -14.348 -21.165 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.641 -16.041 -21.665 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.387 -14.874 -22.783 1.00 0.00 H new ATOM 286 N VAL A 20 14.950 -12.632 -22.783 1.00 0.00 N ATOM 287 CA VAL A 20 14.715 -11.216 -22.989 1.00 0.00 C ATOM 288 C VAL A 20 14.277 -10.540 -21.696 1.00 0.00 C ATOM 289 O VAL A 20 13.274 -10.920 -21.081 1.00 0.00 O ATOM 290 CB VAL A 20 13.705 -10.905 -24.132 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.274 -11.312 -25.477 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.365 -11.580 -23.899 1.00 0.00 C ATOM 0 H VAL A 20 14.111 -13.167 -22.559 1.00 0.00 H new ATOM 0 HA VAL A 20 15.673 -10.804 -23.306 1.00 0.00 H new ATOM 0 HB VAL A 20 13.538 -9.828 -24.133 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.552 -11.086 -26.261 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.196 -10.762 -25.663 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.484 -12.382 -25.475 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.688 -11.338 -24.719 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.505 -12.660 -23.851 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.938 -11.227 -22.960 1.00 0.00 H new ATOM 302 N GLN A 21 15.068 -9.589 -21.255 1.00 0.00 N ATOM 303 CA GLN A 21 14.749 -8.822 -20.078 1.00 0.00 C ATOM 304 C GLN A 21 13.750 -7.722 -20.421 1.00 0.00 C ATOM 305 O GLN A 21 13.961 -6.943 -21.360 1.00 0.00 O ATOM 306 CB GLN A 21 16.011 -8.205 -19.475 1.00 0.00 C ATOM 307 CG GLN A 21 15.752 -7.389 -18.214 1.00 0.00 C ATOM 308 CD GLN A 21 17.000 -6.747 -17.664 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.107 -7.274 -17.803 1.00 0.00 O ATOM 310 NE2 GLN A 21 16.847 -5.585 -17.061 1.00 0.00 N ATOM 0 H GLN A 21 15.947 -9.328 -21.702 1.00 0.00 H new ATOM 0 HA GLN A 21 14.305 -9.494 -19.344 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.719 -9.001 -19.243 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.484 -7.565 -20.220 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.017 -6.614 -18.433 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.316 -8.035 -17.452 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.916 -5.179 -16.964 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.659 -5.091 -16.691 1.00 0.00 H new ATOM 319 N THR A 22 12.677 -7.659 -19.667 1.00 0.00 N ATOM 320 CA THR A 22 11.700 -6.599 -19.814 1.00 0.00 C ATOM 321 C THR A 22 12.189 -5.341 -19.085 1.00 0.00 C ATOM 322 O THR A 22 13.118 -5.421 -18.279 1.00 0.00 O ATOM 323 CB THR A 22 10.342 -7.039 -19.228 1.00 0.00 C ATOM 324 OG1 THR A 22 10.512 -7.439 -17.856 1.00 0.00 O ATOM 325 CG2 THR A 22 9.762 -8.193 -20.029 1.00 0.00 C ATOM 0 H THR A 22 12.455 -8.336 -18.937 1.00 0.00 H new ATOM 0 HA THR A 22 11.575 -6.381 -20.875 1.00 0.00 H new ATOM 0 HB THR A 22 9.652 -6.197 -19.280 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.050 -6.803 -17.270 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.805 -8.489 -19.600 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.615 -7.881 -21.063 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.449 -9.038 -19.999 1.00 0.00 H new ATOM 333 N PRO A 23 11.590 -4.158 -19.355 1.00 0.00 N ATOM 334 CA PRO A 23 11.953 -2.910 -18.663 1.00 0.00 C ATOM 335 C PRO A 23 11.737 -3.000 -17.148 1.00 0.00 C ATOM 336 O PRO A 23 12.434 -2.338 -16.373 1.00 0.00 O ATOM 337 CB PRO A 23 11.000 -1.870 -19.283 1.00 0.00 C ATOM 338 CG PRO A 23 9.896 -2.677 -19.861 1.00 0.00 C ATOM 339 CD PRO A 23 10.554 -3.921 -20.368 1.00 0.00 C ATOM 0 HA PRO A 23 13.009 -2.667 -18.785 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.631 -1.172 -18.532 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.502 -1.278 -20.048 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.140 -2.908 -19.110 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.393 -2.140 -20.665 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.853 -4.753 -20.437 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.980 -3.780 -21.361 1.00 0.00 H new ATOM 347 N CYS A 24 10.789 -3.836 -16.735 1.00 0.00 N ATOM 348 CA CYS A 24 10.514 -4.047 -15.329 1.00 0.00 C ATOM 349 C CYS A 24 11.522 -5.016 -14.689 1.00 0.00 C ATOM 350 O CYS A 24 11.627 -5.096 -13.471 1.00 0.00 O ATOM 351 CB CYS A 24 9.080 -4.527 -15.143 1.00 0.00 C ATOM 352 SG CYS A 24 8.509 -5.688 -16.432 1.00 0.00 S ATOM 0 H CYS A 24 10.198 -4.379 -17.364 1.00 0.00 H new ATOM 0 HA CYS A 24 10.628 -3.094 -14.813 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.993 -5.010 -14.170 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.417 -3.662 -15.129 1.00 0.00 H new ATOM 357 N GLY A 25 12.258 -5.750 -15.522 1.00 0.00 N ATOM 358 CA GLY A 25 13.307 -6.614 -15.009 1.00 0.00 C ATOM 359 C GLY A 25 12.897 -8.069 -14.848 1.00 0.00 C ATOM 360 O GLY A 25 13.167 -8.684 -13.813 1.00 0.00 O ATOM 0 H GLY A 25 12.147 -5.762 -16.536 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.164 -6.563 -15.680 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.636 -6.232 -14.042 1.00 0.00 H new ATOM 364 N HIS A 26 12.238 -8.623 -15.853 1.00 0.00 N ATOM 365 CA HIS A 26 11.903 -10.046 -15.837 1.00 0.00 C ATOM 366 C HIS A 26 12.535 -10.702 -17.034 1.00 0.00 C ATOM 367 O HIS A 26 12.785 -10.041 -18.040 1.00 0.00 O ATOM 368 CB HIS A 26 10.400 -10.289 -15.915 1.00 0.00 C ATOM 369 CG HIS A 26 9.595 -9.591 -14.889 1.00 0.00 C ATOM 370 ND1 HIS A 26 9.511 -9.989 -13.575 1.00 0.00 N ATOM 371 CD2 HIS A 26 8.828 -8.505 -15.005 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.712 -9.159 -12.925 1.00 0.00 C ATOM 373 NE2 HIS A 26 8.284 -8.244 -13.785 1.00 0.00 N ATOM 0 H HIS A 26 11.925 -8.120 -16.683 1.00 0.00 H new ATOM 0 HA HIS A 26 12.271 -10.459 -14.898 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.049 -9.982 -16.900 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.216 -11.360 -15.831 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.667 -7.934 -15.908 1.00 0.00 H new ATOM 0 HE1 HIS A 26 8.453 -9.216 -11.878 1.00 0.00 H new ATOM 0 HE2 HIS A 26 7.652 -7.473 -13.568 1.00 0.00 H new ATOM 380 N ARG A 27 12.795 -11.982 -16.931 1.00 0.00 N ATOM 381 CA ARG A 27 13.346 -12.737 -18.034 1.00 0.00 C ATOM 382 C ARG A 27 12.269 -13.617 -18.665 1.00 0.00 C ATOM 383 O ARG A 27 11.626 -14.414 -17.977 1.00 0.00 O ATOM 384 CB ARG A 27 14.522 -13.585 -17.540 1.00 0.00 C ATOM 385 CG ARG A 27 15.741 -12.776 -17.129 1.00 0.00 C ATOM 386 CD ARG A 27 16.822 -13.665 -16.531 1.00 0.00 C ATOM 387 NE ARG A 27 18.039 -12.916 -16.208 1.00 0.00 N ATOM 388 CZ ARG A 27 18.979 -13.308 -15.343 1.00 0.00 C ATOM 389 NH1 ARG A 27 18.797 -14.396 -14.601 1.00 0.00 N ATOM 390 NH2 ARG A 27 20.095 -12.602 -15.218 1.00 0.00 N ATOM 0 H ARG A 27 12.632 -12.529 -16.086 1.00 0.00 H new ATOM 0 HA ARG A 27 13.707 -12.047 -18.797 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.193 -14.183 -16.690 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.810 -14.281 -18.328 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.139 -12.250 -17.996 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.448 -12.018 -16.403 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.440 -14.141 -15.628 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.064 -14.462 -17.234 1.00 0.00 H new ATOM 0 HE ARG A 27 18.180 -12.024 -16.681 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.936 -14.936 -14.690 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.518 -14.691 -13.942 1.00 0.00 H new ATOM 0 HH21 ARG A 27 20.233 -11.763 -15.781 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.815 -12.898 -14.559 1.00 0.00 H new ATOM 404 N PHE A 28 12.079 -13.460 -19.965 1.00 0.00 N ATOM 405 CA PHE A 28 11.105 -14.238 -20.729 1.00 0.00 C ATOM 406 C PHE A 28 11.730 -14.729 -22.027 1.00 0.00 C ATOM 407 O PHE A 28 12.847 -14.340 -22.373 1.00 0.00 O ATOM 408 CB PHE A 28 9.850 -13.409 -21.070 1.00 0.00 C ATOM 409 CG PHE A 28 9.015 -12.970 -19.897 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.166 -13.859 -19.268 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.071 -11.670 -19.436 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.389 -13.459 -18.197 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.295 -11.262 -18.366 1.00 0.00 C ATOM 414 CZ PHE A 28 7.453 -12.158 -17.747 1.00 0.00 C ATOM 0 H PHE A 28 12.598 -12.786 -20.528 1.00 0.00 H new ATOM 0 HA PHE A 28 10.808 -15.082 -20.106 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.162 -12.522 -21.621 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.221 -13.996 -21.740 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.108 -14.879 -19.617 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.729 -10.962 -19.917 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.732 -14.166 -17.713 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.350 -10.242 -18.017 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.845 -11.843 -16.912 1.00 0.00 H new ATOM 424 N CYS A 29 11.033 -15.605 -22.724 1.00 0.00 N ATOM 425 CA CYS A 29 11.445 -15.994 -24.055 1.00 0.00 C ATOM 426 C CYS A 29 10.893 -14.989 -25.056 1.00 0.00 C ATOM 427 O CYS A 29 9.815 -14.430 -24.850 1.00 0.00 O ATOM 428 CB CYS A 29 10.918 -17.381 -24.404 1.00 0.00 C ATOM 429 SG CYS A 29 11.299 -18.674 -23.188 1.00 0.00 S ATOM 0 H CYS A 29 10.182 -16.058 -22.391 1.00 0.00 H new ATOM 0 HA CYS A 29 12.534 -16.015 -24.092 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.836 -17.323 -24.523 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.330 -17.678 -25.369 1.00 0.00 H new ATOM 434 N LYS A 30 11.608 -14.804 -26.151 1.00 0.00 N ATOM 435 CA LYS A 30 11.264 -13.807 -27.165 1.00 0.00 C ATOM 436 C LYS A 30 9.976 -14.188 -27.899 1.00 0.00 C ATOM 437 O LYS A 30 9.378 -13.374 -28.577 1.00 0.00 O ATOM 438 CB LYS A 30 12.419 -13.670 -28.163 1.00 0.00 C ATOM 439 CG LYS A 30 12.267 -12.561 -29.190 1.00 0.00 C ATOM 440 CD LYS A 30 13.465 -12.526 -30.118 1.00 0.00 C ATOM 441 CE LYS A 30 13.352 -11.416 -31.152 1.00 0.00 C ATOM 442 NZ LYS A 30 13.359 -10.071 -30.530 1.00 0.00 N ATOM 0 H LYS A 30 12.448 -15.340 -26.369 1.00 0.00 H new ATOM 0 HA LYS A 30 11.097 -12.852 -26.668 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.340 -13.501 -27.605 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.535 -14.617 -28.691 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.356 -12.716 -29.769 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.164 -11.601 -28.684 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.373 -12.385 -29.532 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.559 -13.486 -30.625 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.179 -11.493 -31.857 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.433 -11.546 -31.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.451 -9.347 -31.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.470 -9.924 -30.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.161 -9.997 -29.872 1.00 0.00 H new ATOM 456 N ALA A 31 9.522 -15.400 -27.701 1.00 0.00 N ATOM 457 CA ALA A 31 8.359 -15.880 -28.416 1.00 0.00 C ATOM 458 C ALA A 31 7.210 -16.074 -27.456 1.00 0.00 C ATOM 459 O ALA A 31 6.064 -16.207 -27.860 1.00 0.00 O ATOM 460 CB ALA A 31 8.686 -17.194 -29.107 1.00 0.00 C ATOM 0 H ALA A 31 9.935 -16.072 -27.055 1.00 0.00 H new ATOM 0 HA ALA A 31 8.072 -15.144 -29.167 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.807 -17.551 -29.644 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.504 -17.041 -29.811 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.981 -17.933 -28.362 1.00 0.00 H new ATOM 466 N CYS A 32 7.516 -16.073 -26.175 1.00 0.00 N ATOM 467 CA CYS A 32 6.490 -16.140 -25.176 1.00 0.00 C ATOM 468 C CYS A 32 5.992 -14.737 -24.849 1.00 0.00 C ATOM 469 O CYS A 32 4.785 -14.490 -24.811 1.00 0.00 O ATOM 470 CB CYS A 32 7.020 -16.826 -23.920 1.00 0.00 C ATOM 471 SG CYS A 32 7.776 -18.457 -24.217 1.00 0.00 S ATOM 0 H CYS A 32 8.467 -16.026 -25.810 1.00 0.00 H new ATOM 0 HA CYS A 32 5.656 -16.726 -25.562 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.759 -16.177 -23.450 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.201 -16.942 -23.211 1.00 0.00 H new ATOM 476 N ILE A 33 6.928 -13.809 -24.645 1.00 0.00 N ATOM 477 CA ILE A 33 6.581 -12.444 -24.260 1.00 0.00 C ATOM 478 C ILE A 33 5.868 -11.696 -25.397 1.00 0.00 C ATOM 479 O ILE A 33 4.873 -11.012 -25.171 1.00 0.00 O ATOM 480 CB ILE A 33 7.818 -11.644 -23.745 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.398 -10.313 -23.120 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.848 -11.422 -24.843 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.558 -10.463 -21.870 1.00 0.00 C ATOM 0 H ILE A 33 7.929 -13.979 -24.740 1.00 0.00 H new ATOM 0 HA ILE A 33 5.882 -12.524 -23.428 1.00 0.00 H new ATOM 0 HB ILE A 33 8.288 -12.250 -22.971 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.292 -9.737 -22.879 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.837 -9.737 -23.856 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.692 -10.861 -24.442 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.196 -12.385 -25.216 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.394 -10.860 -25.659 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.299 -9.477 -21.485 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.646 -11.010 -22.108 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.123 -11.010 -21.115 1.00 0.00 H new ATOM 495 N ILE A 34 6.359 -11.870 -26.621 1.00 0.00 N ATOM 496 CA ILE A 34 5.748 -11.246 -27.787 1.00 0.00 C ATOM 497 C ILE A 34 4.338 -11.773 -27.994 1.00 0.00 C ATOM 498 O ILE A 34 3.405 -11.007 -28.216 1.00 0.00 O ATOM 499 CB ILE A 34 6.616 -11.373 -29.074 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.893 -10.529 -28.921 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.836 -10.930 -30.310 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.905 -10.715 -30.037 1.00 0.00 C ATOM 0 H ILE A 34 7.179 -12.439 -26.829 1.00 0.00 H new ATOM 0 HA ILE A 34 5.687 -10.177 -27.585 1.00 0.00 H new ATOM 0 HB ILE A 34 6.887 -12.420 -29.207 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.614 -9.476 -28.871 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.367 -10.778 -27.972 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.467 -11.029 -31.193 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.950 -11.555 -30.425 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.533 -9.889 -30.196 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.773 -10.083 -29.850 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.217 -11.759 -30.075 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.452 -10.437 -30.989 1.00 0.00 H new ATOM 514 N LYS A 35 4.172 -13.076 -27.836 1.00 0.00 N ATOM 515 CA LYS A 35 2.886 -13.727 -28.053 1.00 0.00 C ATOM 516 C LYS A 35 1.961 -13.510 -26.833 1.00 0.00 C ATOM 517 O LYS A 35 0.875 -14.080 -26.733 1.00 0.00 O ATOM 518 CB LYS A 35 3.113 -15.229 -28.346 1.00 0.00 C ATOM 519 CG LYS A 35 1.864 -16.043 -28.673 1.00 0.00 C ATOM 520 CD LYS A 35 1.163 -15.523 -29.921 1.00 0.00 C ATOM 521 CE LYS A 35 0.007 -16.423 -30.329 1.00 0.00 C ATOM 522 NZ LYS A 35 -1.051 -16.497 -29.286 1.00 0.00 N ATOM 0 H LYS A 35 4.919 -13.711 -27.555 1.00 0.00 H new ATOM 0 HA LYS A 35 2.389 -13.284 -28.916 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.808 -15.315 -29.182 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.599 -15.678 -27.480 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.138 -17.088 -28.819 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.176 -16.009 -27.828 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.793 -14.514 -29.738 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.879 -15.456 -30.740 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.428 -16.053 -31.258 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.385 -17.425 -30.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.854 -17.053 -29.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.667 -16.953 -28.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.373 -15.537 -29.049 1.00 0.00 H new ATOM 536 N SER A 36 2.399 -12.677 -25.910 1.00 0.00 N ATOM 537 CA SER A 36 1.549 -12.243 -24.830 1.00 0.00 C ATOM 538 C SER A 36 1.127 -10.780 -25.050 1.00 0.00 C ATOM 539 O SER A 36 0.033 -10.372 -24.659 1.00 0.00 O ATOM 540 CB SER A 36 2.284 -12.402 -23.489 1.00 0.00 C ATOM 541 OG SER A 36 1.463 -12.040 -22.393 1.00 0.00 O ATOM 0 H SER A 36 3.342 -12.289 -25.890 1.00 0.00 H new ATOM 0 HA SER A 36 0.651 -12.861 -24.807 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.610 -13.436 -23.373 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.181 -11.783 -23.491 1.00 0.00 H new ATOM 0 HG SER A 36 2.025 -11.845 -21.614 1.00 0.00 H new ATOM 547 N ILE A 37 1.962 -10.016 -25.756 1.00 0.00 N ATOM 548 CA ILE A 37 1.724 -8.578 -25.890 1.00 0.00 C ATOM 549 C ILE A 37 1.174 -8.192 -27.263 1.00 0.00 C ATOM 550 O ILE A 37 0.632 -7.105 -27.433 1.00 0.00 O ATOM 551 CB ILE A 37 2.993 -7.754 -25.568 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.149 -8.140 -26.493 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.386 -7.942 -24.111 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.398 -7.310 -26.291 1.00 0.00 C ATOM 0 H ILE A 37 2.794 -10.360 -26.236 1.00 0.00 H new ATOM 0 HA ILE A 37 0.958 -8.335 -25.154 1.00 0.00 H new ATOM 0 HB ILE A 37 2.769 -6.701 -25.737 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.393 -9.191 -26.335 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.822 -8.041 -27.528 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.280 -7.357 -23.897 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.571 -7.608 -23.468 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.588 -8.996 -23.922 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.172 -7.643 -26.982 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.172 -6.260 -26.478 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.751 -7.428 -25.267 1.00 0.00 H new ATOM 566 N ARG A 38 1.302 -9.077 -28.234 1.00 0.00 N ATOM 567 CA ARG A 38 0.643 -8.872 -29.524 1.00 0.00 C ATOM 568 C ARG A 38 -0.640 -9.676 -29.549 1.00 0.00 C ATOM 569 O ARG A 38 -1.338 -9.742 -30.560 1.00 0.00 O ATOM 570 CB ARG A 38 1.535 -9.293 -30.705 1.00 0.00 C ATOM 571 CG ARG A 38 1.858 -10.781 -30.755 1.00 0.00 C ATOM 572 CD ARG A 38 2.620 -11.148 -32.017 1.00 0.00 C ATOM 573 NE ARG A 38 1.764 -11.073 -33.210 1.00 0.00 N ATOM 574 CZ ARG A 38 2.150 -10.644 -34.418 1.00 0.00 C ATOM 575 NH1 ARG A 38 3.356 -10.125 -34.594 1.00 0.00 N ATOM 576 NH2 ARG A 38 1.312 -10.722 -35.441 1.00 0.00 N ATOM 0 H ARG A 38 1.847 -9.936 -28.163 1.00 0.00 H new ATOM 0 HA ARG A 38 0.437 -7.807 -29.634 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.042 -9.010 -31.635 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.469 -8.733 -30.656 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.448 -11.055 -29.881 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.933 -11.356 -30.708 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.471 -10.477 -32.137 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.021 -12.157 -31.920 1.00 0.00 H new ATOM 0 HE ARG A 38 0.794 -11.373 -33.109 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.999 -10.050 -33.806 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.642 -9.801 -35.518 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.377 -11.108 -35.306 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.601 -10.396 -36.363 1.00 0.00 H new ATOM 590 N ASP A 39 -0.938 -10.283 -28.424 1.00 0.00 N ATOM 591 CA ASP A 39 -2.031 -11.223 -28.332 1.00 0.00 C ATOM 592 C ASP A 39 -3.108 -10.704 -27.400 1.00 0.00 C ATOM 593 O ASP A 39 -4.262 -10.563 -27.793 1.00 0.00 O ATOM 594 CB ASP A 39 -1.486 -12.545 -27.812 1.00 0.00 C ATOM 595 CG ASP A 39 -2.496 -13.661 -27.802 1.00 0.00 C ATOM 596 OD1 ASP A 39 -2.609 -14.370 -28.819 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.166 -13.856 -26.775 1.00 0.00 O ATOM 0 H ASP A 39 -0.432 -10.140 -27.550 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.477 -11.360 -29.317 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.636 -12.843 -28.426 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.111 -12.399 -26.799 1.00 0.00 H new ATOM 602 N ALA A 40 -2.726 -10.409 -26.172 1.00 0.00 N ATOM 603 CA ALA A 40 -3.655 -9.849 -25.214 1.00 0.00 C ATOM 604 C ALA A 40 -3.576 -8.333 -25.253 1.00 0.00 C ATOM 605 O ALA A 40 -4.508 -7.657 -25.702 1.00 0.00 O ATOM 606 CB ALA A 40 -3.365 -10.374 -23.812 1.00 0.00 C ATOM 0 H ALA A 40 -1.780 -10.548 -25.816 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.667 -10.155 -25.479 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.075 -9.941 -23.107 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.462 -11.460 -23.803 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.351 -10.097 -23.522 1.00 0.00 H new ATOM 612 N GLY A 41 -2.459 -7.810 -24.807 1.00 0.00 N ATOM 613 CA GLY A 41 -2.236 -6.394 -24.816 1.00 0.00 C ATOM 614 C GLY A 41 -0.809 -6.093 -24.488 1.00 0.00 C ATOM 615 O GLY A 41 -0.078 -6.980 -24.050 1.00 0.00 O ATOM 0 H GLY A 41 -1.685 -8.356 -24.430 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.485 -5.986 -25.795 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.893 -5.911 -24.093 1.00 0.00 H new ATOM 619 N HIS A 42 -0.403 -4.859 -24.673 1.00 0.00 N ATOM 620 CA HIS A 42 0.982 -4.490 -24.446 1.00 0.00 C ATOM 621 C HIS A 42 1.262 -4.198 -22.972 1.00 0.00 C ATOM 622 O HIS A 42 1.372 -3.041 -22.549 1.00 0.00 O ATOM 623 CB HIS A 42 1.414 -3.320 -25.347 1.00 0.00 C ATOM 624 CG HIS A 42 1.511 -3.676 -26.800 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.587 -3.289 -27.743 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.447 -4.386 -27.470 1.00 0.00 C ATOM 627 CE1 HIS A 42 0.946 -3.750 -28.927 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.072 -4.418 -28.787 1.00 0.00 N ATOM 0 H HIS A 42 -1.005 -4.094 -24.978 1.00 0.00 H new ATOM 0 HA HIS A 42 1.589 -5.353 -24.721 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.703 -2.502 -25.230 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.382 -2.951 -25.008 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.328 -4.844 -27.045 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.408 -3.604 -29.852 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.582 -4.884 -29.537 1.00 0.00 H new ATOM 637 N LYS A 43 1.326 -5.258 -22.186 1.00 0.00 N ATOM 638 CA LYS A 43 1.666 -5.169 -20.781 1.00 0.00 C ATOM 639 C LYS A 43 2.347 -6.444 -20.308 1.00 0.00 C ATOM 640 O LYS A 43 2.164 -7.513 -20.903 1.00 0.00 O ATOM 641 CB LYS A 43 0.441 -4.834 -19.915 1.00 0.00 C ATOM 642 CG LYS A 43 -0.673 -5.875 -19.939 1.00 0.00 C ATOM 643 CD LYS A 43 -1.804 -5.504 -18.981 1.00 0.00 C ATOM 644 CE LYS A 43 -2.528 -4.224 -19.403 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.258 -4.385 -20.686 1.00 0.00 N ATOM 0 H LYS A 43 1.142 -6.208 -22.508 1.00 0.00 H new ATOM 0 HA LYS A 43 2.371 -4.346 -20.665 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.770 -4.700 -18.884 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.032 -3.879 -20.246 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.067 -5.965 -20.951 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.268 -6.850 -19.666 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.520 -6.324 -18.933 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.399 -5.375 -17.977 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.231 -3.933 -18.622 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.804 -3.415 -19.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.853 -3.549 -20.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.575 -4.486 -21.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.858 -5.233 -20.640 1.00 0.00 H new ATOM 659 N CYS A 44 3.134 -6.321 -19.257 1.00 0.00 N ATOM 660 CA CYS A 44 3.834 -7.437 -18.657 1.00 0.00 C ATOM 661 C CYS A 44 2.828 -8.392 -18.010 1.00 0.00 C ATOM 662 O CYS A 44 1.964 -7.968 -17.229 1.00 0.00 O ATOM 663 CB CYS A 44 4.833 -6.906 -17.619 1.00 0.00 C ATOM 664 SG CYS A 44 5.828 -8.171 -16.744 1.00 0.00 S ATOM 0 H CYS A 44 3.307 -5.431 -18.790 1.00 0.00 H new ATOM 0 HA CYS A 44 4.382 -7.988 -19.422 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.515 -6.218 -18.119 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.283 -6.327 -16.877 1.00 0.00 H new ATOM 669 N PRO A 45 2.922 -9.688 -18.329 1.00 0.00 N ATOM 670 CA PRO A 45 1.975 -10.698 -17.846 1.00 0.00 C ATOM 671 C PRO A 45 2.002 -10.908 -16.328 1.00 0.00 C ATOM 672 O PRO A 45 1.013 -11.360 -15.745 1.00 0.00 O ATOM 673 CB PRO A 45 2.413 -11.975 -18.573 1.00 0.00 C ATOM 674 CG PRO A 45 3.841 -11.741 -18.904 1.00 0.00 C ATOM 675 CD PRO A 45 3.954 -10.279 -19.203 1.00 0.00 C ATOM 0 HA PRO A 45 0.948 -10.394 -18.048 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.291 -12.854 -17.940 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.820 -12.144 -19.471 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.487 -12.021 -18.072 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.147 -12.341 -19.761 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.948 -9.894 -18.973 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.765 -10.065 -20.255 1.00 0.00 H new ATOM 683 N VAL A 46 3.111 -10.582 -15.685 1.00 0.00 N ATOM 684 CA VAL A 46 3.232 -10.867 -14.263 1.00 0.00 C ATOM 685 C VAL A 46 2.868 -9.681 -13.360 1.00 0.00 C ATOM 686 O VAL A 46 2.037 -9.823 -12.469 1.00 0.00 O ATOM 687 CB VAL A 46 4.602 -11.491 -13.875 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.767 -12.853 -14.534 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.755 -10.585 -14.260 1.00 0.00 C ATOM 0 H VAL A 46 3.921 -10.132 -16.110 1.00 0.00 H new ATOM 0 HA VAL A 46 2.477 -11.631 -14.076 1.00 0.00 H new ATOM 0 HB VAL A 46 4.616 -11.611 -12.792 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.731 -13.278 -14.254 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.968 -13.516 -14.204 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.721 -12.741 -15.617 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.697 -11.053 -13.974 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.744 -10.420 -15.337 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.654 -9.629 -13.746 1.00 0.00 H new ATOM 699 N ASP A 47 3.465 -8.516 -13.591 1.00 0.00 N ATOM 700 CA ASP A 47 3.216 -7.356 -12.712 1.00 0.00 C ATOM 701 C ASP A 47 2.322 -6.320 -13.372 1.00 0.00 C ATOM 702 O ASP A 47 2.055 -5.264 -12.795 1.00 0.00 O ATOM 703 CB ASP A 47 4.540 -6.696 -12.287 1.00 0.00 C ATOM 704 CG ASP A 47 5.413 -6.285 -13.460 1.00 0.00 C ATOM 705 OD1 ASP A 47 4.943 -6.242 -14.601 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.607 -6.049 -13.282 1.00 0.00 O ATOM 0 H ASP A 47 4.113 -8.341 -14.359 1.00 0.00 H new ATOM 0 HA ASP A 47 2.701 -7.736 -11.830 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.321 -5.817 -11.681 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.096 -7.388 -11.655 1.00 0.00 H new ATOM 711 N ASN A 48 1.851 -6.645 -14.559 1.00 0.00 N ATOM 712 CA ASN A 48 0.917 -5.810 -15.327 1.00 0.00 C ATOM 713 C ASN A 48 1.437 -4.392 -15.595 1.00 0.00 C ATOM 714 O ASN A 48 0.652 -3.449 -15.712 1.00 0.00 O ATOM 715 CB ASN A 48 -0.460 -5.769 -14.655 1.00 0.00 C ATOM 716 CG ASN A 48 -1.192 -7.100 -14.713 1.00 0.00 C ATOM 717 OD1 ASN A 48 -0.924 -7.900 -15.734 1.00 0.00 O flip ATOM 718 ND2 ASN A 48 -1.989 -7.415 -13.838 1.00 0.00 N flip ATOM 0 H ASN A 48 2.104 -7.511 -15.036 1.00 0.00 H new ATOM 0 HA ASN A 48 0.822 -6.285 -16.303 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.340 -5.472 -13.613 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.070 -5.004 -15.136 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.175 -6.777 -13.064 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.467 -8.315 -13.884 1.00 0.00 H new ATOM 725 N GLU A 49 2.747 -4.251 -15.733 1.00 0.00 N ATOM 726 CA GLU A 49 3.329 -2.981 -16.154 1.00 0.00 C ATOM 727 C GLU A 49 3.174 -2.832 -17.657 1.00 0.00 C ATOM 728 O GLU A 49 3.227 -3.821 -18.378 1.00 0.00 O ATOM 729 CB GLU A 49 4.812 -2.911 -15.784 1.00 0.00 C ATOM 730 CG GLU A 49 5.088 -2.809 -14.297 1.00 0.00 C ATOM 731 CD GLU A 49 4.564 -1.523 -13.697 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.871 -0.441 -14.236 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.873 -1.576 -12.665 1.00 0.00 O ATOM 0 H GLU A 49 3.425 -4.994 -15.561 1.00 0.00 H new ATOM 0 HA GLU A 49 2.808 -2.172 -15.642 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.312 -3.798 -16.173 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.257 -2.050 -16.283 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.631 -3.657 -13.787 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.162 -2.875 -14.125 1.00 0.00 H new ATOM 740 N ILE A 50 2.974 -1.613 -18.130 1.00 0.00 N ATOM 741 CA ILE A 50 2.822 -1.375 -19.565 1.00 0.00 C ATOM 742 C ILE A 50 4.124 -1.684 -20.301 1.00 0.00 C ATOM 743 O ILE A 50 5.188 -1.130 -19.987 1.00 0.00 O ATOM 744 CB ILE A 50 2.285 0.056 -19.899 1.00 0.00 C ATOM 745 CG1 ILE A 50 0.767 0.151 -19.652 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.594 0.449 -21.345 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.339 0.020 -18.206 1.00 0.00 C ATOM 0 H ILE A 50 2.913 -0.776 -17.551 1.00 0.00 H new ATOM 0 HA ILE A 50 2.055 -2.062 -19.922 1.00 0.00 H new ATOM 0 HB ILE A 50 2.798 0.751 -19.233 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.412 1.108 -20.034 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.271 -0.627 -20.233 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.206 1.449 -21.541 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.673 0.441 -21.502 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.123 -0.262 -22.024 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.746 0.100 -18.139 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.656 -0.949 -17.819 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.799 0.814 -17.617 1.00 0.00 H new ATOM 759 N LEU A 51 4.035 -2.588 -21.254 1.00 0.00 N ATOM 760 CA LEU A 51 5.188 -3.121 -21.928 1.00 0.00 C ATOM 761 C LEU A 51 5.118 -2.865 -23.426 1.00 0.00 C ATOM 762 O LEU A 51 4.125 -3.183 -24.067 1.00 0.00 O ATOM 763 CB LEU A 51 5.271 -4.623 -21.645 1.00 0.00 C ATOM 764 CG LEU A 51 6.369 -5.405 -22.352 1.00 0.00 C ATOM 765 CD1 LEU A 51 7.728 -4.872 -21.961 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.268 -6.871 -21.985 1.00 0.00 C ATOM 0 H LEU A 51 3.149 -2.974 -21.582 1.00 0.00 H new ATOM 0 HA LEU A 51 6.083 -2.622 -21.555 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.399 -4.758 -20.571 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.313 -5.070 -21.911 1.00 0.00 H new ATOM 0 HG LEU A 51 6.245 -5.292 -23.429 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.503 -5.441 -22.474 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.802 -3.822 -22.243 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.860 -4.969 -20.883 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.055 -7.428 -22.493 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.380 -6.985 -20.907 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.295 -7.257 -22.291 1.00 0.00 H new ATOM 778 N LEU A 52 6.172 -2.304 -23.978 1.00 0.00 N ATOM 779 CA LEU A 52 6.234 -2.031 -25.397 1.00 0.00 C ATOM 780 C LEU A 52 7.225 -2.966 -26.072 1.00 0.00 C ATOM 781 O LEU A 52 8.242 -3.343 -25.481 1.00 0.00 O ATOM 782 CB LEU A 52 6.581 -0.555 -25.692 1.00 0.00 C ATOM 783 CG LEU A 52 5.552 0.519 -25.277 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.161 0.195 -25.810 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.525 0.737 -23.769 1.00 0.00 C ATOM 0 H LEU A 52 7.005 -2.026 -23.459 1.00 0.00 H new ATOM 0 HA LEU A 52 5.241 -2.212 -25.809 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.524 -0.326 -25.196 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.753 -0.458 -26.764 1.00 0.00 H new ATOM 0 HG LEU A 52 5.875 1.456 -25.731 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.462 0.972 -25.499 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.190 0.148 -26.899 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.834 -0.767 -25.414 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.787 1.501 -23.525 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.260 -0.196 -23.271 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.509 1.062 -23.431 1.00 0.00 H new ATOM 797 N GLU A 53 6.922 -3.326 -27.305 1.00 0.00 N ATOM 798 CA GLU A 53 7.678 -4.315 -28.060 1.00 0.00 C ATOM 799 C GLU A 53 9.104 -3.868 -28.360 1.00 0.00 C ATOM 800 O GLU A 53 10.031 -4.681 -28.333 1.00 0.00 O ATOM 801 CB GLU A 53 6.949 -4.670 -29.352 1.00 0.00 C ATOM 802 CG GLU A 53 5.658 -5.427 -29.124 1.00 0.00 C ATOM 803 CD GLU A 53 4.938 -5.755 -30.399 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.495 -6.499 -31.222 1.00 0.00 O ATOM 805 OE2 GLU A 53 3.804 -5.269 -30.592 1.00 0.00 O ATOM 0 H GLU A 53 6.133 -2.936 -27.820 1.00 0.00 H new ATOM 0 HA GLU A 53 7.752 -5.202 -27.430 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.732 -3.754 -29.902 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.608 -5.270 -29.979 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.875 -6.351 -28.588 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.003 -4.834 -28.486 1.00 0.00 H new ATOM 812 N ASN A 54 9.278 -2.590 -28.639 1.00 0.00 N ATOM 813 CA ASN A 54 10.600 -2.044 -28.957 1.00 0.00 C ATOM 814 C ASN A 54 11.511 -2.038 -27.735 1.00 0.00 C ATOM 815 O ASN A 54 12.732 -1.978 -27.857 1.00 0.00 O ATOM 816 CB ASN A 54 10.499 -0.621 -29.537 1.00 0.00 C ATOM 817 CG ASN A 54 9.939 0.403 -28.555 1.00 0.00 C ATOM 818 OD1 ASN A 54 9.148 0.076 -27.673 1.00 0.00 O ATOM 819 ND2 ASN A 54 10.352 1.637 -28.704 1.00 0.00 N ATOM 0 H ASN A 54 8.524 -1.903 -28.654 1.00 0.00 H new ATOM 0 HA ASN A 54 11.036 -2.698 -29.713 1.00 0.00 H new ATOM 0 HB2 ASN A 54 11.489 -0.298 -29.859 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.867 -0.644 -30.424 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.016 2.367 -28.075 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.009 1.868 -29.449 1.00 0.00 H new ATOM 826 N GLN A 55 10.910 -2.119 -26.559 1.00 0.00 N ATOM 827 CA GLN A 55 11.656 -2.071 -25.313 1.00 0.00 C ATOM 828 C GLN A 55 12.184 -3.444 -24.915 1.00 0.00 C ATOM 829 O GLN A 55 12.930 -3.568 -23.946 1.00 0.00 O ATOM 830 CB GLN A 55 10.822 -1.475 -24.188 1.00 0.00 C ATOM 831 CG GLN A 55 10.414 -0.030 -24.428 1.00 0.00 C ATOM 832 CD GLN A 55 9.625 0.563 -23.278 1.00 0.00 C ATOM 833 OE1 GLN A 55 8.710 1.353 -23.488 1.00 0.00 O ATOM 834 NE2 GLN A 55 10.001 0.234 -22.059 1.00 0.00 N ATOM 0 H GLN A 55 9.902 -2.219 -26.442 1.00 0.00 H new ATOM 0 HA GLN A 55 12.514 -1.420 -25.484 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.925 -2.079 -24.054 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.388 -1.534 -23.258 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.308 0.571 -24.596 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.817 0.026 -25.338 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.766 -0.426 -21.922 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.527 0.640 -21.252 1.00 0.00 H new ATOM 843 N LEU A 56 11.772 -4.478 -25.629 1.00 0.00 N ATOM 844 CA LEU A 56 12.252 -5.819 -25.335 1.00 0.00 C ATOM 845 C LEU A 56 13.673 -5.992 -25.857 1.00 0.00 C ATOM 846 O LEU A 56 13.931 -5.809 -27.047 1.00 0.00 O ATOM 847 CB LEU A 56 11.336 -6.871 -25.967 1.00 0.00 C ATOM 848 CG LEU A 56 9.889 -6.894 -25.475 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.088 -7.933 -26.240 1.00 0.00 C ATOM 850 CD2 LEU A 56 9.837 -7.185 -23.983 1.00 0.00 C ATOM 0 H LEU A 56 11.115 -4.418 -26.407 1.00 0.00 H new ATOM 0 HA LEU A 56 12.247 -5.956 -24.254 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.328 -6.714 -27.046 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.772 -7.854 -25.791 1.00 0.00 H new ATOM 0 HG LEU A 56 9.450 -5.912 -25.652 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.060 -7.938 -25.879 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.098 -7.690 -27.303 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.531 -8.918 -26.088 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.799 -7.197 -23.651 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.293 -8.155 -23.785 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.382 -6.411 -23.442 1.00 0.00 H new ATOM 862 N PHE A 57 14.574 -6.369 -24.984 1.00 0.00 N ATOM 863 CA PHE A 57 15.971 -6.571 -25.342 1.00 0.00 C ATOM 864 C PHE A 57 16.469 -7.852 -24.692 1.00 0.00 C ATOM 865 O PHE A 57 15.849 -8.334 -23.744 1.00 0.00 O ATOM 866 CB PHE A 57 16.838 -5.376 -24.882 1.00 0.00 C ATOM 867 CG PHE A 57 16.579 -4.084 -25.612 1.00 0.00 C ATOM 868 CD1 PHE A 57 17.121 -3.862 -26.870 1.00 0.00 C ATOM 869 CD2 PHE A 57 15.803 -3.093 -25.041 1.00 0.00 C ATOM 870 CE1 PHE A 57 16.892 -2.677 -27.540 1.00 0.00 C ATOM 871 CE2 PHE A 57 15.568 -1.903 -25.708 1.00 0.00 C ATOM 872 CZ PHE A 57 16.112 -1.697 -26.957 1.00 0.00 C ATOM 0 H PHE A 57 14.367 -6.547 -24.001 1.00 0.00 H new ATOM 0 HA PHE A 57 16.050 -6.648 -26.426 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.671 -5.214 -23.817 1.00 0.00 H new ATOM 0 HB3 PHE A 57 17.888 -5.640 -25.004 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.730 -4.626 -27.331 1.00 0.00 H new ATOM 0 HD2 PHE A 57 15.375 -3.249 -24.062 1.00 0.00 H new ATOM 0 HE1 PHE A 57 17.322 -2.516 -28.518 1.00 0.00 H new ATOM 0 HE2 PHE A 57 14.959 -1.137 -25.250 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.929 -0.770 -27.480 1.00 0.00 H new ATOM 882 N PRO A 58 17.581 -8.430 -25.188 1.00 0.00 N ATOM 883 CA PRO A 58 18.191 -9.626 -24.585 1.00 0.00 C ATOM 884 C PRO A 58 18.635 -9.340 -23.158 1.00 0.00 C ATOM 885 O PRO A 58 18.967 -8.192 -22.828 1.00 0.00 O ATOM 886 CB PRO A 58 19.416 -9.896 -25.474 1.00 0.00 C ATOM 887 CG PRO A 58 19.112 -9.197 -26.751 1.00 0.00 C ATOM 888 CD PRO A 58 18.353 -7.971 -26.360 1.00 0.00 C ATOM 0 HA PRO A 58 17.502 -10.469 -24.534 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.329 -9.512 -25.019 1.00 0.00 H new ATOM 0 HB3 PRO A 58 19.564 -10.964 -25.632 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.026 -8.939 -27.285 1.00 0.00 H new ATOM 0 HG3 PRO A 58 18.522 -9.829 -27.415 1.00 0.00 H new ATOM 0 HD2 PRO A 58 19.019 -7.145 -26.109 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.703 -7.624 -27.163 1.00 0.00 H new ATOM 896 N ASP A 59 18.624 -10.372 -22.310 1.00 0.00 N ATOM 897 CA ASP A 59 19.017 -10.222 -20.906 1.00 0.00 C ATOM 898 C ASP A 59 20.367 -9.549 -20.824 1.00 0.00 C ATOM 899 O ASP A 59 21.293 -9.891 -21.569 1.00 0.00 O ATOM 900 CB ASP A 59 19.055 -11.572 -20.191 1.00 0.00 C ATOM 901 CG ASP A 59 19.408 -11.445 -18.719 1.00 0.00 C ATOM 902 OD1 ASP A 59 18.595 -10.893 -17.951 1.00 0.00 O ATOM 903 OD2 ASP A 59 20.486 -11.915 -18.315 1.00 0.00 O ATOM 0 H ASP A 59 18.348 -11.319 -22.570 1.00 0.00 H new ATOM 0 HA ASP A 59 18.272 -9.603 -20.407 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.084 -12.057 -20.287 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.784 -12.218 -20.681 1.00 0.00 H new ATOM 908 N ASN A 60 20.481 -8.588 -19.939 1.00 0.00 N ATOM 909 CA ASN A 60 21.616 -7.700 -19.965 1.00 0.00 C ATOM 910 C ASN A 60 22.884 -8.317 -19.435 1.00 0.00 C ATOM 911 O ASN A 60 23.127 -8.361 -18.231 1.00 0.00 O ATOM 912 CB ASN A 60 21.325 -6.353 -19.292 1.00 0.00 C ATOM 913 CG ASN A 60 20.371 -5.488 -20.101 1.00 0.00 C ATOM 914 OD1 ASN A 60 20.780 -4.766 -21.009 1.00 0.00 O ATOM 915 ND2 ASN A 60 19.104 -5.540 -19.775 1.00 0.00 N ATOM 0 H ASN A 60 19.806 -8.402 -19.197 1.00 0.00 H new ATOM 0 HA ASN A 60 21.793 -7.507 -21.023 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.900 -6.529 -18.304 1.00 0.00 H new ATOM 0 HB3 ASN A 60 22.261 -5.815 -19.145 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.424 -4.971 -20.279 1.00 0.00 H new ATOM 0 HD22 ASN A 60 18.797 -6.149 -19.017 1.00 0.00 H new ATOM 922 N PHE A 61 23.664 -8.844 -20.357 1.00 0.00 N ATOM 923 CA PHE A 61 25.050 -9.183 -20.106 1.00 0.00 C ATOM 924 C PHE A 61 25.909 -8.160 -20.831 1.00 0.00 C ATOM 925 O PHE A 61 27.140 -8.180 -20.759 1.00 0.00 O ATOM 926 CB PHE A 61 25.387 -10.584 -20.633 1.00 0.00 C ATOM 927 CG PHE A 61 24.659 -11.713 -19.960 1.00 0.00 C ATOM 928 CD1 PHE A 61 25.094 -12.207 -18.741 1.00 0.00 C ATOM 929 CD2 PHE A 61 23.553 -12.290 -20.553 1.00 0.00 C ATOM 930 CE1 PHE A 61 24.432 -13.253 -18.127 1.00 0.00 C ATOM 931 CE2 PHE A 61 22.890 -13.333 -19.949 1.00 0.00 C ATOM 932 CZ PHE A 61 23.330 -13.818 -18.732 1.00 0.00 C ATOM 0 H PHE A 61 23.353 -9.050 -21.306 1.00 0.00 H new ATOM 0 HA PHE A 61 25.236 -9.176 -19.032 1.00 0.00 H new ATOM 0 HB2 PHE A 61 25.167 -10.616 -21.700 1.00 0.00 H new ATOM 0 HB3 PHE A 61 26.459 -10.748 -20.524 1.00 0.00 H new ATOM 0 HD1 PHE A 61 25.960 -11.770 -18.266 1.00 0.00 H new ATOM 0 HD2 PHE A 61 23.204 -11.917 -21.504 1.00 0.00 H new ATOM 0 HE1 PHE A 61 24.778 -13.627 -17.175 1.00 0.00 H new ATOM 0 HE2 PHE A 61 22.026 -13.773 -20.426 1.00 0.00 H new ATOM 0 HZ PHE A 61 22.812 -14.637 -18.256 1.00 0.00 H new ATOM 942 N ALA A 62 25.234 -7.266 -21.548 1.00 0.00 N ATOM 943 CA ALA A 62 25.891 -6.225 -22.298 1.00 0.00 C ATOM 944 C ALA A 62 26.466 -5.193 -21.361 1.00 0.00 C ATOM 945 O ALA A 62 25.818 -4.781 -20.395 1.00 0.00 O ATOM 946 CB ALA A 62 24.923 -5.576 -23.277 1.00 0.00 C ATOM 0 H ALA A 62 24.217 -7.251 -21.619 1.00 0.00 H new ATOM 0 HA ALA A 62 26.705 -6.670 -22.869 1.00 0.00 H new ATOM 0 HB1 ALA A 62 25.438 -4.793 -23.833 1.00 0.00 H new ATOM 0 HB2 ALA A 62 24.549 -6.328 -23.971 1.00 0.00 H new ATOM 0 HB3 ALA A 62 24.087 -5.141 -22.728 1.00 0.00 H new ATOM 952 N LYS A 63 27.665 -4.783 -21.641 1.00 0.00 N ATOM 953 CA LYS A 63 28.354 -3.796 -20.854 1.00 0.00 C ATOM 954 C LYS A 63 29.239 -2.960 -21.757 1.00 0.00 C ATOM 955 O LYS A 63 30.357 -3.407 -22.083 1.00 0.00 O ATOM 956 CB LYS A 63 29.156 -4.446 -19.709 1.00 0.00 C ATOM 957 CG LYS A 63 30.006 -5.641 -20.131 1.00 0.00 C ATOM 958 CD LYS A 63 30.869 -6.153 -18.994 1.00 0.00 C ATOM 959 CE LYS A 63 31.933 -5.133 -18.614 1.00 0.00 C ATOM 960 NZ LYS A 63 32.783 -4.759 -19.773 1.00 0.00 N ATOM 961 OXT LYS A 63 28.794 -1.879 -22.175 1.00 0.00 O ATOM 0 H LYS A 63 28.205 -5.128 -22.435 1.00 0.00 H new ATOM 0 HA LYS A 63 27.620 -3.142 -20.384 1.00 0.00 H new ATOM 0 HB2 LYS A 63 29.806 -3.693 -19.264 1.00 0.00 H new ATOM 0 HB3 LYS A 63 28.462 -4.766 -18.932 1.00 0.00 H new ATOM 0 HG2 LYS A 63 29.356 -6.442 -20.482 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.642 -5.356 -20.969 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.244 -6.371 -18.128 1.00 0.00 H new ATOM 0 HD3 LYS A 63 31.345 -7.089 -19.287 1.00 0.00 H new ATOM 0 HE2 LYS A 63 31.453 -4.240 -18.213 1.00 0.00 H new ATOM 0 HE3 LYS A 63 32.560 -5.541 -17.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 33.668 -4.333 -19.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 33.001 -5.608 -20.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 32.276 -4.073 -20.368 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.059 -18.898 -22.451 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.801 -6.569 -15.187 1.00 0.00 ZN