USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 628 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 40 GLN : amide:sc= 0.885 K(o=2.9,f=-0.44) USER MOD Set 1.2: A 74 SER OG : rot -113:sc= 1.97 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0972 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= 1.23 (180deg=1.16) USER MOD Single : A 22 GLN : amide:sc= -0.0428 X(o=-0.043,f=-0.043) USER MOD Single : A 26 GLN : amide:sc= 0.838 K(o=0.84,f=-0.79) USER MOD Single : A 28 ASN : amide:sc= 0.0453 K(o=0.045,f=-11!) USER MOD Single : A 35 THR OG1 : rot 76:sc= 1.25 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc=-0.00394 USER MOD Single : A 57 ASN : amide:sc= -0.0851 K(o=-0.085,f=-1.8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.321 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N LEU A 8 9.565 -7.463 -1.073 1.00 0.00 N ATOM 104 CA LEU A 8 9.090 -8.515 -0.182 1.00 0.00 C ATOM 105 C LEU A 8 9.976 -8.633 1.052 1.00 0.00 C ATOM 106 O LEU A 8 11.152 -8.982 0.952 1.00 0.00 O ATOM 107 CB LEU A 8 9.051 -9.858 -0.921 1.00 0.00 C ATOM 108 CG LEU A 8 7.826 -10.090 -1.815 1.00 0.00 C ATOM 109 CD1 LEU A 8 7.814 -9.061 -2.937 1.00 0.00 C ATOM 110 CD2 LEU A 8 7.865 -11.505 -2.372 1.00 0.00 C ATOM 0 HA LEU A 8 8.083 -8.250 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.947 -9.940 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.096 -10.659 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 8 6.912 -9.975 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.944 -9.226 -3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.768 -8.059 -2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.722 -9.161 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.995 -11.670 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.774 -11.640 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.855 -12.220 -1.550 1.00 0.00 H new ATOM 122 N LEU A 9 9.404 -8.340 2.215 1.00 0.00 N ATOM 123 CA LEU A 9 10.152 -8.374 3.466 1.00 0.00 C ATOM 124 C LEU A 9 9.705 -9.536 4.343 1.00 0.00 C ATOM 125 O LEU A 9 8.524 -9.884 4.376 1.00 0.00 O ATOM 126 CB LEU A 9 9.973 -7.054 4.226 1.00 0.00 C ATOM 127 CG LEU A 9 10.373 -5.786 3.460 1.00 0.00 C ATOM 128 CD1 LEU A 9 10.061 -4.560 4.308 1.00 0.00 C ATOM 129 CD2 LEU A 9 11.852 -5.848 3.113 1.00 0.00 C ATOM 0 H LEU A 9 8.424 -8.076 2.317 1.00 0.00 H new ATOM 0 HA LEU A 9 11.205 -8.512 3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.927 -6.964 4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 9 10.559 -7.102 5.144 1.00 0.00 H new ATOM 0 HG LEU A 9 9.805 -5.716 2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.345 -3.659 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.993 -4.531 4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.621 -4.611 5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.136 -4.947 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 9 12.438 -5.918 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 9 12.044 -6.723 2.492 1.00 0.00 H new ATOM 141 N TYR A 10 10.655 -10.135 5.053 1.00 0.00 N ATOM 142 CA TYR A 10 10.364 -11.270 5.921 1.00 0.00 C ATOM 143 C TYR A 10 10.915 -11.047 7.323 1.00 0.00 C ATOM 144 O TYR A 10 11.991 -11.539 7.664 1.00 0.00 O ATOM 145 CB TYR A 10 10.935 -12.559 5.326 1.00 0.00 C ATOM 146 CG TYR A 10 10.396 -12.887 3.951 1.00 0.00 C ATOM 147 CD1 TYR A 10 11.109 -12.515 2.820 1.00 0.00 C ATOM 148 CD2 TYR A 10 9.190 -13.559 3.820 1.00 0.00 C ATOM 149 CE1 TYR A 10 10.617 -12.814 1.564 1.00 0.00 C ATOM 150 CE2 TYR A 10 8.698 -13.858 2.565 1.00 0.00 C ATOM 151 CZ TYR A 10 9.407 -13.488 1.440 1.00 0.00 C ATOM 152 OH TYR A 10 8.917 -13.786 0.189 1.00 0.00 O ATOM 0 H TYR A 10 11.635 -9.853 5.044 1.00 0.00 H new ATOM 0 HA TYR A 10 9.281 -11.366 5.995 1.00 0.00 H new ATOM 0 HB2 TYR A 10 12.020 -12.473 5.270 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.716 -13.388 5.999 1.00 0.00 H new ATOM 0 HD1 TYR A 10 12.048 -11.992 2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.635 -13.849 4.700 1.00 0.00 H new ATOM 0 HE1 TYR A 10 11.170 -12.525 0.682 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.759 -14.381 2.464 1.00 0.00 H new ATOM 0 HH TYR A 10 8.063 -14.259 0.276 1.00 0.00 H new ATOM 162 N ARG A 11 10.172 -10.301 8.134 1.00 0.00 N ATOM 163 CA ARG A 11 10.643 -9.902 9.455 1.00 0.00 C ATOM 164 C ARG A 11 10.340 -10.973 10.495 1.00 0.00 C ATOM 165 O ARG A 11 9.194 -11.144 10.908 1.00 0.00 O ATOM 166 CB ARG A 11 9.999 -8.591 9.880 1.00 0.00 C ATOM 167 CG ARG A 11 10.455 -8.062 11.230 1.00 0.00 C ATOM 168 CD ARG A 11 9.796 -6.774 11.567 1.00 0.00 C ATOM 169 NE ARG A 11 10.125 -6.332 12.913 1.00 0.00 N ATOM 170 CZ ARG A 11 11.191 -5.573 13.230 1.00 0.00 C ATOM 171 NH1 ARG A 11 12.021 -5.180 12.289 1.00 0.00 N ATOM 172 NH2 ARG A 11 11.403 -5.223 14.487 1.00 0.00 N ATOM 0 H ARG A 11 9.240 -9.960 7.899 1.00 0.00 H new ATOM 0 HA ARG A 11 11.723 -9.771 9.391 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.209 -7.837 9.121 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.918 -8.726 9.905 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.233 -8.798 12.003 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.536 -7.926 11.221 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.101 -6.012 10.850 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.715 -6.884 11.475 1.00 0.00 H new ATOM 0 HE ARG A 11 9.504 -6.617 13.670 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.857 -5.450 11.319 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.829 -4.605 12.529 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.759 -5.528 15.217 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.211 -4.648 14.727 1.00 0.00 H new ATOM 186 N GLU A 12 11.375 -11.693 10.914 1.00 0.00 N ATOM 187 CA GLU A 12 11.229 -12.722 11.937 1.00 0.00 C ATOM 188 C GLU A 12 11.427 -12.142 13.332 1.00 0.00 C ATOM 189 O GLU A 12 12.445 -11.511 13.614 1.00 0.00 O ATOM 190 CB GLU A 12 12.228 -13.857 11.700 1.00 0.00 C ATOM 191 CG GLU A 12 11.987 -14.649 10.423 1.00 0.00 C ATOM 192 CD GLU A 12 13.003 -15.736 10.208 1.00 0.00 C ATOM 193 OE1 GLU A 12 13.962 -15.780 10.941 1.00 0.00 O ATOM 194 OE2 GLU A 12 12.820 -16.524 9.310 1.00 0.00 O ATOM 0 H GLU A 12 12.325 -11.583 10.560 1.00 0.00 H new ATOM 0 HA GLU A 12 10.216 -13.118 11.869 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.234 -13.439 11.670 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.192 -14.540 12.549 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.991 -15.091 10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.004 -13.969 9.571 1.00 0.00 H new ATOM 201 N GLU A 13 10.447 -12.362 14.202 1.00 0.00 N ATOM 202 CA GLU A 13 10.512 -11.863 15.571 1.00 0.00 C ATOM 203 C GLU A 13 10.408 -13.001 16.578 1.00 0.00 C ATOM 204 O GLU A 13 9.681 -13.971 16.360 1.00 0.00 O ATOM 205 CB GLU A 13 9.398 -10.844 15.821 1.00 0.00 C ATOM 206 CG GLU A 13 9.514 -9.570 14.996 1.00 0.00 C ATOM 207 CD GLU A 13 8.450 -8.561 15.326 1.00 0.00 C ATOM 208 OE1 GLU A 13 7.545 -8.895 16.052 1.00 0.00 O ATOM 209 OE2 GLU A 13 8.542 -7.454 14.851 1.00 0.00 O ATOM 0 H GLU A 13 9.598 -12.883 13.983 1.00 0.00 H new ATOM 0 HA GLU A 13 11.478 -11.376 15.702 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.438 -11.314 15.608 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.396 -10.579 16.878 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.495 -9.124 15.162 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.453 -9.822 13.937 1.00 0.00 H new ATOM 216 N THR A 14 11.138 -12.878 17.681 1.00 0.00 N ATOM 217 CA THR A 14 11.129 -13.897 18.724 1.00 0.00 C ATOM 218 C THR A 14 10.423 -13.395 19.977 1.00 0.00 C ATOM 219 O THR A 14 10.809 -12.379 20.554 1.00 0.00 O ATOM 220 CB THR A 14 12.560 -14.340 19.079 1.00 0.00 C ATOM 221 OG1 THR A 14 13.196 -14.888 17.916 1.00 0.00 O ATOM 222 CG2 THR A 14 12.536 -15.388 20.180 1.00 0.00 C ATOM 0 H THR A 14 11.744 -12.081 17.876 1.00 0.00 H new ATOM 0 HA THR A 14 10.582 -14.755 18.333 1.00 0.00 H new ATOM 0 HB THR A 14 13.116 -13.471 19.431 1.00 0.00 H new ATOM 0 HG1 THR A 14 14.107 -15.168 18.143 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.556 -15.689 20.418 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.064 -14.970 21.070 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.970 -16.257 19.843 1.00 0.00 H new ATOM 230 N ILE A 15 9.386 -14.114 20.393 1.00 0.00 N ATOM 231 CA ILE A 15 8.626 -13.746 21.582 1.00 0.00 C ATOM 232 C ILE A 15 8.780 -14.790 22.680 1.00 0.00 C ATOM 233 O ILE A 15 8.351 -15.934 22.527 1.00 0.00 O ATOM 234 CB ILE A 15 7.134 -13.568 21.247 1.00 0.00 C ATOM 235 CG1 ILE A 15 6.950 -12.476 20.190 1.00 0.00 C ATOM 236 CG2 ILE A 15 6.342 -13.237 22.503 1.00 0.00 C ATOM 237 CD1 ILE A 15 5.544 -12.388 19.642 1.00 0.00 C ATOM 0 H ILE A 15 9.052 -14.956 19.924 1.00 0.00 H new ATOM 0 HA ILE A 15 9.026 -12.798 21.942 1.00 0.00 H new ATOM 0 HB ILE A 15 6.756 -14.506 20.841 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.222 -11.514 20.624 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.640 -12.660 19.367 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.289 -13.115 22.248 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.449 -14.047 23.224 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.720 -12.312 22.938 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.492 -11.592 18.899 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.275 -13.336 19.177 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.850 -12.172 20.454 1.00 0.00 H new ATOM 249 N GLU A 16 9.396 -14.390 23.788 1.00 0.00 N ATOM 250 CA GLU A 16 9.572 -15.279 24.930 1.00 0.00 C ATOM 251 C GLU A 16 8.660 -14.882 26.083 1.00 0.00 C ATOM 252 O GLU A 16 8.714 -13.752 26.569 1.00 0.00 O ATOM 253 CB GLU A 16 11.030 -15.270 25.393 1.00 0.00 C ATOM 254 CG GLU A 16 11.314 -16.160 26.594 1.00 0.00 C ATOM 255 CD GLU A 16 12.747 -16.096 27.044 1.00 0.00 C ATOM 256 OE1 GLU A 16 13.603 -16.511 26.300 1.00 0.00 O ATOM 257 OE2 GLU A 16 12.987 -15.631 28.134 1.00 0.00 O ATOM 0 H GLU A 16 9.782 -13.455 23.919 1.00 0.00 H new ATOM 0 HA GLU A 16 9.304 -16.286 24.612 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.664 -15.586 24.564 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.314 -14.247 25.639 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.666 -15.866 27.419 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.063 -17.191 26.344 1.00 0.00 H new ATOM 264 N THR A 17 7.823 -15.817 26.518 1.00 0.00 N ATOM 265 CA THR A 17 6.944 -15.588 27.659 1.00 0.00 C ATOM 266 C THR A 17 7.424 -16.353 28.886 1.00 0.00 C ATOM 267 O THR A 17 7.637 -17.564 28.831 1.00 0.00 O ATOM 268 CB THR A 17 5.494 -15.993 27.332 1.00 0.00 C ATOM 269 OG1 THR A 17 5.003 -15.188 26.252 1.00 0.00 O ATOM 270 CG2 THR A 17 4.600 -15.803 28.548 1.00 0.00 C ATOM 0 H THR A 17 7.734 -16.742 26.097 1.00 0.00 H new ATOM 0 HA THR A 17 6.971 -14.521 27.878 1.00 0.00 H new ATOM 0 HB THR A 17 5.482 -17.045 27.046 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.081 -15.447 26.043 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.580 -16.094 28.298 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.964 -16.423 29.368 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.615 -14.756 28.851 1.00 0.00 H new ATOM 278 N LYS A 18 7.592 -15.638 29.993 1.00 0.00 N ATOM 279 CA LYS A 18 8.009 -16.255 31.247 1.00 0.00 C ATOM 280 C LYS A 18 6.876 -17.062 31.867 1.00 0.00 C ATOM 281 O LYS A 18 5.745 -16.586 31.971 1.00 0.00 O ATOM 282 CB LYS A 18 8.496 -15.190 32.232 1.00 0.00 C ATOM 283 CG LYS A 18 9.747 -14.446 31.785 1.00 0.00 C ATOM 284 CD LYS A 18 10.948 -15.378 31.713 1.00 0.00 C ATOM 285 CE LYS A 18 12.245 -14.599 31.550 1.00 0.00 C ATOM 286 NZ LYS A 18 12.331 -13.934 30.222 1.00 0.00 N ATOM 0 H LYS A 18 7.446 -14.630 30.048 1.00 0.00 H new ATOM 0 HA LYS A 18 8.831 -16.936 31.026 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.696 -14.467 32.392 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.694 -15.665 33.193 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.575 -13.995 30.808 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.956 -13.632 32.479 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.996 -15.983 32.619 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.827 -16.066 30.876 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.319 -13.848 32.337 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.092 -15.274 31.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.151 -13.294 30.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.440 -14.654 29.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.463 -13.388 30.050 1.00 0.00 H new ATOM 300 N ILE A 19 7.185 -18.287 32.279 1.00 0.00 N ATOM 301 CA ILE A 19 6.185 -19.178 32.854 1.00 0.00 C ATOM 302 C ILE A 19 6.315 -19.247 34.370 1.00 0.00 C ATOM 303 O ILE A 19 7.383 -19.557 34.898 1.00 0.00 O ATOM 304 CB ILE A 19 6.305 -20.594 32.263 1.00 0.00 C ATOM 305 CG1 ILE A 19 6.265 -20.540 30.734 1.00 0.00 C ATOM 306 CG2 ILE A 19 5.197 -21.489 32.797 1.00 0.00 C ATOM 307 CD1 ILE A 19 5.003 -19.920 30.178 1.00 0.00 C ATOM 0 H ILE A 19 8.122 -18.686 32.225 1.00 0.00 H new ATOM 0 HA ILE A 19 5.206 -18.770 32.604 1.00 0.00 H new ATOM 0 HB ILE A 19 7.263 -21.016 32.567 1.00 0.00 H new ATOM 0 HG12 ILE A 19 7.125 -19.973 30.377 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.365 -21.552 30.341 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.297 -22.486 32.369 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.271 -21.551 33.883 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.228 -21.072 32.523 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.048 -19.917 29.089 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.139 -20.499 30.504 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.911 -18.896 30.540 1.00 0.00 H new ATOM 319 N ASP A 20 5.222 -18.955 35.067 1.00 0.00 N ATOM 320 CA ASP A 20 5.227 -18.930 36.525 1.00 0.00 C ATOM 321 C ASP A 20 5.428 -20.326 37.099 1.00 0.00 C ATOM 322 O ASP A 20 5.216 -21.327 36.414 1.00 0.00 O ATOM 323 CB ASP A 20 3.919 -18.338 37.055 1.00 0.00 C ATOM 324 CG ASP A 20 3.795 -16.843 36.791 1.00 0.00 C ATOM 325 OD1 ASP A 20 4.784 -16.234 36.460 1.00 0.00 O ATOM 326 OD2 ASP A 20 2.711 -16.325 36.922 1.00 0.00 O ATOM 0 H ASP A 20 4.320 -18.732 34.645 1.00 0.00 H new ATOM 0 HA ASP A 20 6.060 -18.302 36.842 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.078 -18.855 36.592 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.852 -18.519 38.128 1.00 0.00 H new ATOM 331 N PHE A 21 5.840 -20.388 38.361 1.00 0.00 N ATOM 332 CA PHE A 21 6.108 -21.661 39.018 1.00 0.00 C ATOM 333 C PHE A 21 5.563 -21.673 40.441 1.00 0.00 C ATOM 334 O PHE A 21 5.305 -20.621 41.025 1.00 0.00 O ATOM 335 CB PHE A 21 7.611 -21.945 39.040 1.00 0.00 C ATOM 336 CG PHE A 21 8.406 -20.939 39.823 1.00 0.00 C ATOM 337 CD1 PHE A 21 8.604 -21.098 41.186 1.00 0.00 C ATOM 338 CD2 PHE A 21 8.958 -19.831 39.197 1.00 0.00 C ATOM 339 CE1 PHE A 21 9.335 -20.173 41.907 1.00 0.00 C ATOM 340 CE2 PHE A 21 9.690 -18.905 39.915 1.00 0.00 C ATOM 341 CZ PHE A 21 9.878 -19.077 41.272 1.00 0.00 C ATOM 0 H PHE A 21 5.996 -19.570 38.950 1.00 0.00 H new ATOM 0 HA PHE A 21 5.603 -22.440 38.448 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.778 -22.935 39.463 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.982 -21.970 38.015 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.182 -21.955 41.690 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.814 -19.691 38.136 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.481 -20.309 42.968 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.115 -18.047 39.415 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.450 -18.354 41.835 1.00 0.00 H new ATOM 351 N GLN A 22 5.391 -22.869 40.993 1.00 0.00 N ATOM 352 CA GLN A 22 4.806 -23.023 42.320 1.00 0.00 C ATOM 353 C GLN A 22 5.886 -23.117 43.390 1.00 0.00 C ATOM 354 O GLN A 22 7.045 -23.404 43.092 1.00 0.00 O ATOM 355 CB GLN A 22 3.911 -24.264 42.370 1.00 0.00 C ATOM 356 CG GLN A 22 2.749 -24.233 41.392 1.00 0.00 C ATOM 357 CD GLN A 22 1.776 -23.107 41.685 1.00 0.00 C ATOM 358 OE1 GLN A 22 1.267 -22.981 42.802 1.00 0.00 O ATOM 359 NE2 GLN A 22 1.511 -22.279 40.680 1.00 0.00 N ATOM 0 H GLN A 22 5.649 -23.747 40.542 1.00 0.00 H new ATOM 0 HA GLN A 22 4.200 -22.139 42.521 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.519 -25.145 42.167 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.518 -24.374 43.381 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.134 -24.122 40.378 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.220 -25.185 41.430 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.954 -22.420 39.772 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.864 -21.502 40.816 1.00 0.00 H new ATOM 368 N GLU A 23 5.498 -22.874 44.638 1.00 0.00 N ATOM 369 CA GLU A 23 6.431 -22.938 45.756 1.00 0.00 C ATOM 370 C GLU A 23 5.935 -23.893 46.834 1.00 0.00 C ATOM 371 O GLU A 23 4.737 -23.965 47.110 1.00 0.00 O ATOM 372 CB GLU A 23 6.644 -21.546 46.354 1.00 0.00 C ATOM 373 CG GLU A 23 7.241 -20.532 45.388 1.00 0.00 C ATOM 374 CD GLU A 23 7.387 -19.163 45.994 1.00 0.00 C ATOM 375 OE1 GLU A 23 6.396 -18.604 46.398 1.00 0.00 O ATOM 376 OE2 GLU A 23 8.492 -18.677 46.052 1.00 0.00 O ATOM 0 H GLU A 23 4.543 -22.631 44.900 1.00 0.00 H new ATOM 0 HA GLU A 23 7.381 -23.314 45.375 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.687 -21.168 46.713 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.298 -21.633 47.221 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.218 -20.884 45.058 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.610 -20.466 44.502 1.00 0.00 H new ATOM 383 N GLU A 24 6.862 -24.627 47.441 1.00 0.00 N ATOM 384 CA GLU A 24 6.517 -25.596 48.474 1.00 0.00 C ATOM 385 C GLU A 24 7.639 -25.736 49.494 1.00 0.00 C ATOM 386 O GLU A 24 8.813 -25.822 49.133 1.00 0.00 O ATOM 387 CB GLU A 24 6.212 -26.958 47.846 1.00 0.00 C ATOM 388 CG GLU A 24 5.798 -28.031 48.843 1.00 0.00 C ATOM 389 CD GLU A 24 5.428 -29.331 48.184 1.00 0.00 C ATOM 390 OE1 GLU A 24 5.407 -29.378 46.978 1.00 0.00 O ATOM 391 OE2 GLU A 24 5.164 -30.277 48.888 1.00 0.00 O ATOM 0 H GLU A 24 7.859 -24.569 47.235 1.00 0.00 H new ATOM 0 HA GLU A 24 5.628 -25.232 48.990 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.416 -26.836 47.111 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.095 -27.302 47.306 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.615 -28.204 49.543 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.950 -27.671 49.426 1.00 0.00 H new ATOM 398 N ILE A 25 7.271 -25.758 50.771 1.00 0.00 N ATOM 399 CA ILE A 25 8.230 -26.010 51.840 1.00 0.00 C ATOM 400 C ILE A 25 7.930 -27.322 52.552 1.00 0.00 C ATOM 401 O ILE A 25 6.811 -27.547 53.014 1.00 0.00 O ATOM 402 CB ILE A 25 8.228 -24.858 52.862 1.00 0.00 C ATOM 403 CG1 ILE A 25 8.623 -23.543 52.186 1.00 0.00 C ATOM 404 CG2 ILE A 25 9.167 -25.170 54.017 1.00 0.00 C ATOM 405 CD1 ILE A 25 8.437 -22.326 53.063 1.00 0.00 C ATOM 0 H ILE A 25 6.315 -25.604 51.091 1.00 0.00 H new ATOM 0 HA ILE A 25 9.216 -26.078 51.381 1.00 0.00 H new ATOM 0 HB ILE A 25 7.219 -24.750 53.260 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.667 -23.602 51.880 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.031 -23.420 51.279 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.153 -24.346 54.730 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.842 -26.084 54.513 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.180 -25.304 53.637 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.738 -21.433 52.515 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.389 -22.240 53.349 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.050 -22.426 53.959 1.00 0.00 H new ATOM 417 N GLN A 26 8.935 -28.187 52.637 1.00 0.00 N ATOM 418 CA GLN A 26 8.760 -29.510 53.225 1.00 0.00 C ATOM 419 C GLN A 26 9.660 -29.696 54.440 1.00 0.00 C ATOM 420 O GLN A 26 10.711 -29.065 54.548 1.00 0.00 O ATOM 421 CB GLN A 26 9.049 -30.599 52.189 1.00 0.00 C ATOM 422 CG GLN A 26 8.120 -30.578 50.987 1.00 0.00 C ATOM 423 CD GLN A 26 8.428 -31.686 49.998 1.00 0.00 C ATOM 424 OE1 GLN A 26 9.530 -32.243 49.990 1.00 0.00 O ATOM 425 NE2 GLN A 26 7.455 -32.013 49.156 1.00 0.00 N ATOM 0 H GLN A 26 9.880 -27.995 52.306 1.00 0.00 H new ATOM 0 HA GLN A 26 7.723 -29.595 53.551 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.077 -30.491 51.842 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.977 -31.573 52.673 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.089 -30.674 51.327 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.202 -29.614 50.485 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.560 -31.526 49.198 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.603 -32.751 48.467 1.00 0.00 H new ATOM 434 N GLU A 27 9.240 -30.566 55.353 1.00 0.00 N ATOM 435 CA GLU A 27 10.002 -30.829 56.568 1.00 0.00 C ATOM 436 C GLU A 27 11.013 -31.947 56.353 1.00 0.00 C ATOM 437 O GLU A 27 10.770 -32.877 55.583 1.00 0.00 O ATOM 438 CB GLU A 27 9.061 -31.192 57.719 1.00 0.00 C ATOM 439 CG GLU A 27 8.139 -30.063 58.158 1.00 0.00 C ATOM 440 CD GLU A 27 7.182 -30.477 59.240 1.00 0.00 C ATOM 441 OE1 GLU A 27 6.966 -31.655 59.398 1.00 0.00 O ATOM 442 OE2 GLU A 27 6.665 -29.615 59.911 1.00 0.00 O ATOM 0 H GLU A 27 8.375 -31.101 55.274 1.00 0.00 H new ATOM 0 HA GLU A 27 10.546 -29.920 56.824 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.453 -32.046 57.419 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.658 -31.510 58.574 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.741 -29.226 58.513 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.574 -29.707 57.297 1.00 0.00 H new ATOM 449 N ASN A 28 12.147 -31.853 57.038 1.00 0.00 N ATOM 450 CA ASN A 28 13.189 -32.868 56.939 1.00 0.00 C ATOM 451 C ASN A 28 13.807 -33.157 58.301 1.00 0.00 C ATOM 452 O ASN A 28 14.575 -32.351 58.828 1.00 0.00 O ATOM 453 CB ASN A 28 14.256 -32.444 55.947 1.00 0.00 C ATOM 454 CG ASN A 28 15.246 -33.538 55.661 1.00 0.00 C ATOM 455 OD1 ASN A 28 15.277 -34.561 56.354 1.00 0.00 O ATOM 456 ND2 ASN A 28 16.057 -33.343 54.652 1.00 0.00 N ATOM 0 H ASN A 28 12.368 -31.083 57.669 1.00 0.00 H new ATOM 0 HA ASN A 28 12.728 -33.787 56.578 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.780 -32.137 55.016 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.784 -31.574 56.337 1.00 0.00 H new ATOM 0 HD21 ASN A 28 16.750 -34.051 54.411 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.996 -32.483 54.107 1.00 0.00 H new ATOM 463 N PRO A 29 13.469 -34.310 58.867 1.00 0.00 N ATOM 464 CA PRO A 29 13.898 -34.657 60.216 1.00 0.00 C ATOM 465 C PRO A 29 15.368 -35.058 60.241 1.00 0.00 C ATOM 466 O PRO A 29 15.970 -35.178 61.308 1.00 0.00 O ATOM 467 CB PRO A 29 12.986 -35.834 60.576 1.00 0.00 C ATOM 468 CG PRO A 29 12.658 -36.458 59.263 1.00 0.00 C ATOM 469 CD PRO A 29 12.512 -35.292 58.321 1.00 0.00 C ATOM 0 HA PRO A 29 13.820 -33.829 60.920 1.00 0.00 H new ATOM 0 HB2 PRO A 29 13.489 -36.539 61.238 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.087 -35.498 61.093 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.447 -37.136 58.937 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.739 -37.041 59.319 1.00 0.00 H new ATOM 0 HD2 PRO A 29 12.756 -35.568 57.295 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.494 -34.903 58.313 1.00 0.00 H new ATOM 477 N ASP A 30 15.940 -35.263 59.060 1.00 0.00 N ATOM 478 CA ASP A 30 17.352 -35.604 58.942 1.00 0.00 C ATOM 479 C ASP A 30 18.233 -34.374 59.115 1.00 0.00 C ATOM 480 O ASP A 30 19.445 -34.486 59.297 1.00 0.00 O ATOM 481 CB ASP A 30 17.636 -36.255 57.586 1.00 0.00 C ATOM 482 CG ASP A 30 16.998 -37.631 57.444 1.00 0.00 C ATOM 483 OD1 ASP A 30 16.681 -38.223 58.448 1.00 0.00 O ATOM 484 OD2 ASP A 30 16.835 -38.076 56.333 1.00 0.00 O ATOM 0 H ASP A 30 15.446 -35.199 58.170 1.00 0.00 H new ATOM 0 HA ASP A 30 17.587 -36.312 59.736 1.00 0.00 H new ATOM 0 HB2 ASP A 30 17.267 -35.605 56.792 1.00 0.00 H new ATOM 0 HB3 ASP A 30 18.714 -36.344 57.450 1.00 0.00 H new ATOM 489 N LEU A 31 17.616 -33.198 59.057 1.00 0.00 N ATOM 490 CA LEU A 31 18.327 -31.948 59.297 1.00 0.00 C ATOM 491 C LEU A 31 18.052 -31.418 60.698 1.00 0.00 C ATOM 492 O LEU A 31 17.008 -31.701 61.286 1.00 0.00 O ATOM 493 CB LEU A 31 17.916 -30.897 58.257 1.00 0.00 C ATOM 494 CG LEU A 31 18.191 -31.267 56.794 1.00 0.00 C ATOM 495 CD1 LEU A 31 17.636 -30.182 55.882 1.00 0.00 C ATOM 496 CD2 LEU A 31 19.689 -31.442 56.587 1.00 0.00 C ATOM 0 H LEU A 31 16.625 -33.085 58.846 1.00 0.00 H new ATOM 0 HA LEU A 31 19.395 -32.148 59.208 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.850 -30.700 58.369 1.00 0.00 H new ATOM 0 HB3 LEU A 31 18.438 -29.967 58.482 1.00 0.00 H new ATOM 0 HG LEU A 31 17.698 -32.208 56.549 1.00 0.00 H new ATOM 0 HD11 LEU A 31 17.832 -30.445 54.843 1.00 0.00 H new ATOM 0 HD12 LEU A 31 16.561 -30.091 56.037 1.00 0.00 H new ATOM 0 HD13 LEU A 31 18.117 -29.232 56.112 1.00 0.00 H new ATOM 0 HD21 LEU A 31 19.884 -31.705 55.547 1.00 0.00 H new ATOM 0 HD22 LEU A 31 20.201 -30.510 56.828 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.056 -32.236 57.237 1.00 0.00 H new ATOM 508 N ALA A 32 18.995 -30.647 61.229 1.00 0.00 N ATOM 509 CA ALA A 32 18.834 -30.034 62.542 1.00 0.00 C ATOM 510 C ALA A 32 17.681 -29.038 62.548 1.00 0.00 C ATOM 511 O ALA A 32 17.470 -28.313 61.576 1.00 0.00 O ATOM 512 CB ALA A 32 20.124 -29.351 62.970 1.00 0.00 C ATOM 0 H ALA A 32 19.880 -30.432 60.769 1.00 0.00 H new ATOM 0 HA ALA A 32 18.600 -30.825 63.255 1.00 0.00 H new ATOM 0 HB1 ALA A 32 19.987 -28.898 63.952 1.00 0.00 H new ATOM 0 HB2 ALA A 32 20.927 -30.087 63.018 1.00 0.00 H new ATOM 0 HB3 ALA A 32 20.384 -28.578 62.247 1.00 0.00 H new ATOM 518 N GLU A 33 16.936 -29.009 63.648 1.00 0.00 N ATOM 519 CA GLU A 33 15.745 -28.173 63.745 1.00 0.00 C ATOM 520 C GLU A 33 16.055 -26.728 63.379 1.00 0.00 C ATOM 521 O GLU A 33 16.915 -26.093 63.990 1.00 0.00 O ATOM 522 CB GLU A 33 15.162 -28.238 65.158 1.00 0.00 C ATOM 523 CG GLU A 33 13.850 -27.486 65.332 1.00 0.00 C ATOM 524 CD GLU A 33 13.298 -27.586 66.727 1.00 0.00 C ATOM 525 OE1 GLU A 33 13.930 -28.201 67.552 1.00 0.00 O ATOM 526 OE2 GLU A 33 12.244 -27.048 66.967 1.00 0.00 O ATOM 0 H GLU A 33 17.136 -29.555 64.486 1.00 0.00 H new ATOM 0 HA GLU A 33 15.011 -28.556 63.036 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.006 -29.283 65.426 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.893 -27.835 65.859 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.003 -26.436 65.082 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.116 -27.878 64.628 1.00 0.00 H new ATOM 533 N GLY A 34 15.350 -26.212 62.378 1.00 0.00 N ATOM 534 CA GLY A 34 15.492 -24.816 61.980 1.00 0.00 C ATOM 535 C GLY A 34 16.356 -24.684 60.732 1.00 0.00 C ATOM 536 O GLY A 34 16.436 -23.612 60.132 1.00 0.00 O ATOM 0 H GLY A 34 14.674 -26.740 61.827 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.508 -24.387 61.791 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.937 -24.246 62.796 1.00 0.00 H new ATOM 540 N THR A 35 17.001 -25.779 60.347 1.00 0.00 N ATOM 541 CA THR A 35 17.880 -25.782 59.183 1.00 0.00 C ATOM 542 C THR A 35 17.099 -25.511 57.904 1.00 0.00 C ATOM 543 O THR A 35 16.065 -26.129 57.654 1.00 0.00 O ATOM 544 CB THR A 35 18.631 -27.120 59.058 1.00 0.00 C ATOM 545 OG1 THR A 35 19.450 -27.322 60.217 1.00 0.00 O ATOM 546 CG2 THR A 35 19.507 -27.126 57.815 1.00 0.00 C ATOM 0 H THR A 35 16.932 -26.678 60.825 1.00 0.00 H new ATOM 0 HA THR A 35 18.608 -24.983 59.326 1.00 0.00 H new ATOM 0 HB THR A 35 17.899 -27.924 58.978 1.00 0.00 H new ATOM 0 HG1 THR A 35 18.887 -27.593 60.972 1.00 0.00 H new ATOM 0 HG21 THR A 35 20.030 -28.080 57.743 1.00 0.00 H new ATOM 0 HG22 THR A 35 18.885 -26.986 56.931 1.00 0.00 H new ATOM 0 HG23 THR A 35 20.235 -26.317 57.879 1.00 0.00 H new ATOM 554 N VAL A 36 17.601 -24.583 57.096 1.00 0.00 N ATOM 555 CA VAL A 36 16.992 -24.280 55.806 1.00 0.00 C ATOM 556 C VAL A 36 17.887 -24.725 54.656 1.00 0.00 C ATOM 557 O VAL A 36 19.029 -24.281 54.538 1.00 0.00 O ATOM 558 CB VAL A 36 16.720 -22.769 55.686 1.00 0.00 C ATOM 559 CG1 VAL A 36 16.125 -22.442 54.324 1.00 0.00 C ATOM 560 CG2 VAL A 36 15.791 -22.320 56.803 1.00 0.00 C ATOM 0 H VAL A 36 18.429 -24.027 57.312 1.00 0.00 H new ATOM 0 HA VAL A 36 16.051 -24.827 55.747 1.00 0.00 H new ATOM 0 HB VAL A 36 17.663 -22.231 55.780 1.00 0.00 H new ATOM 0 HG11 VAL A 36 15.939 -21.370 54.256 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.823 -22.739 53.541 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.187 -22.982 54.198 1.00 0.00 H new ATOM 0 HG21 VAL A 36 15.603 -21.250 56.712 1.00 0.00 H new ATOM 0 HG22 VAL A 36 14.848 -22.862 56.732 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.255 -22.526 57.767 1.00 0.00 H new ATOM 570 N ARG A 37 17.362 -25.605 53.810 1.00 0.00 N ATOM 571 CA ARG A 37 18.110 -26.106 52.664 1.00 0.00 C ATOM 572 C ARG A 37 17.227 -26.195 51.426 1.00 0.00 C ATOM 573 O ARG A 37 16.228 -26.915 51.414 1.00 0.00 O ATOM 574 CB ARG A 37 18.695 -27.478 52.965 1.00 0.00 C ATOM 575 CG ARG A 37 19.581 -28.050 51.870 1.00 0.00 C ATOM 576 CD ARG A 37 20.255 -29.300 52.306 1.00 0.00 C ATOM 577 NE ARG A 37 19.323 -30.410 52.413 1.00 0.00 N ATOM 578 CZ ARG A 37 19.679 -31.689 52.647 1.00 0.00 C ATOM 579 NH1 ARG A 37 20.947 -32.001 52.795 1.00 0.00 N ATOM 580 NH2 ARG A 37 18.753 -32.628 52.727 1.00 0.00 N ATOM 0 H ARG A 37 16.420 -25.986 53.897 1.00 0.00 H new ATOM 0 HA ARG A 37 18.919 -25.402 52.468 1.00 0.00 H new ATOM 0 HB2 ARG A 37 19.275 -27.416 53.886 1.00 0.00 H new ATOM 0 HB3 ARG A 37 17.876 -28.173 53.150 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.980 -28.251 50.983 1.00 0.00 H new ATOM 0 HG3 ARG A 37 20.331 -27.312 51.586 1.00 0.00 H new ATOM 0 HD2 ARG A 37 21.042 -29.554 51.596 1.00 0.00 H new ATOM 0 HD3 ARG A 37 20.736 -29.136 53.270 1.00 0.00 H new ATOM 0 HE ARG A 37 18.329 -30.207 52.303 1.00 0.00 H new ATOM 0 HH11 ARG A 37 21.661 -31.276 52.733 1.00 0.00 H new ATOM 0 HH12 ARG A 37 21.217 -32.969 52.972 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.769 -32.385 52.612 1.00 0.00 H new ATOM 0 HH22 ARG A 37 19.022 -33.596 52.904 1.00 0.00 H new ATOM 594 N VAL A 38 17.601 -25.459 50.385 1.00 0.00 N ATOM 595 CA VAL A 38 16.827 -25.432 49.149 1.00 0.00 C ATOM 596 C VAL A 38 17.002 -26.723 48.361 1.00 0.00 C ATOM 597 O VAL A 38 18.119 -27.096 48.001 1.00 0.00 O ATOM 598 CB VAL A 38 17.259 -24.238 48.275 1.00 0.00 C ATOM 599 CG1 VAL A 38 16.512 -24.251 46.950 1.00 0.00 C ATOM 600 CG2 VAL A 38 17.012 -22.936 49.021 1.00 0.00 C ATOM 0 H VAL A 38 18.436 -24.873 50.372 1.00 0.00 H new ATOM 0 HA VAL A 38 15.776 -25.328 49.418 1.00 0.00 H new ATOM 0 HB VAL A 38 18.325 -24.321 48.062 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.829 -23.401 46.345 1.00 0.00 H new ATOM 0 HG12 VAL A 38 16.731 -25.177 46.418 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.440 -24.184 47.136 1.00 0.00 H new ATOM 0 HG21 VAL A 38 17.319 -22.096 48.398 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.951 -22.846 49.254 1.00 0.00 H new ATOM 0 HG23 VAL A 38 17.588 -22.932 49.946 1.00 0.00 H new ATOM 610 N LYS A 39 15.892 -27.403 48.095 1.00 0.00 N ATOM 611 CA LYS A 39 15.919 -28.652 47.343 1.00 0.00 C ATOM 612 C LYS A 39 15.854 -28.393 45.843 1.00 0.00 C ATOM 613 O LYS A 39 16.547 -29.044 45.060 1.00 0.00 O ATOM 614 CB LYS A 39 14.766 -29.560 47.770 1.00 0.00 C ATOM 615 CG LYS A 39 14.730 -30.908 47.062 1.00 0.00 C ATOM 616 CD LYS A 39 13.656 -31.812 47.647 1.00 0.00 C ATOM 617 CE LYS A 39 13.626 -33.163 46.947 1.00 0.00 C ATOM 618 NZ LYS A 39 12.594 -34.066 47.525 1.00 0.00 N ATOM 0 H LYS A 39 14.961 -27.109 48.390 1.00 0.00 H new ATOM 0 HA LYS A 39 16.862 -29.152 47.562 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.832 -29.730 48.845 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.825 -29.042 47.587 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.542 -30.758 45.999 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.703 -31.392 47.148 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.840 -31.956 48.712 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.683 -31.331 47.554 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.427 -33.017 45.885 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.606 -33.634 47.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.606 -34.975 47.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.798 -34.226 48.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.656 -33.628 47.427 1.00 0.00 H new ATOM 632 N GLN A 40 15.018 -27.440 45.448 1.00 0.00 N ATOM 633 CA GLN A 40 14.884 -27.071 44.044 1.00 0.00 C ATOM 634 C GLN A 40 14.761 -25.562 43.879 1.00 0.00 C ATOM 635 O GLN A 40 13.888 -24.932 44.476 1.00 0.00 O ATOM 636 CB GLN A 40 13.670 -27.765 43.420 1.00 0.00 C ATOM 637 CG GLN A 40 13.506 -27.514 41.931 1.00 0.00 C ATOM 638 CD GLN A 40 12.388 -28.342 41.324 1.00 0.00 C ATOM 639 OE1 GLN A 40 11.946 -29.335 41.908 1.00 0.00 O ATOM 640 NE2 GLN A 40 11.926 -27.937 40.147 1.00 0.00 N ATOM 0 H GLN A 40 14.422 -26.908 46.082 1.00 0.00 H new ATOM 0 HA GLN A 40 15.786 -27.399 43.528 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.753 -28.839 43.589 1.00 0.00 H new ATOM 0 HB3 GLN A 40 12.770 -27.430 43.935 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.303 -26.456 41.764 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.442 -27.743 41.421 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.322 -27.110 39.701 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.175 -28.453 39.689 1.00 0.00 H new ATOM 649 N GLU A 41 15.641 -24.987 43.067 1.00 0.00 N ATOM 650 CA GLU A 41 15.662 -23.544 42.858 1.00 0.00 C ATOM 651 C GLU A 41 14.484 -23.094 42.003 1.00 0.00 C ATOM 652 O GLU A 41 14.186 -23.698 40.972 1.00 0.00 O ATOM 653 CB GLU A 41 16.975 -23.119 42.197 1.00 0.00 C ATOM 654 CG GLU A 41 17.150 -21.614 42.055 1.00 0.00 C ATOM 655 CD GLU A 41 18.482 -21.232 41.472 1.00 0.00 C ATOM 656 OE1 GLU A 41 19.212 -22.111 41.082 1.00 0.00 O ATOM 657 OE2 GLU A 41 18.769 -20.059 41.416 1.00 0.00 O ATOM 0 H GLU A 41 16.350 -25.499 42.542 1.00 0.00 H new ATOM 0 HA GLU A 41 15.581 -23.066 43.834 1.00 0.00 H new ATOM 0 HB2 GLU A 41 17.806 -23.516 42.780 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.034 -23.574 41.208 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.355 -21.219 41.422 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.040 -21.147 43.034 1.00 0.00 H new ATOM 664 N GLY A 42 13.817 -22.030 42.436 1.00 0.00 N ATOM 665 CA GLY A 42 12.694 -21.473 41.691 1.00 0.00 C ATOM 666 C GLY A 42 13.170 -20.745 40.440 1.00 0.00 C ATOM 667 O GLY A 42 13.965 -19.809 40.520 1.00 0.00 O ATOM 0 H GLY A 42 14.035 -21.535 43.301 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.008 -22.272 41.411 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.138 -20.784 42.327 1.00 0.00 H new ATOM 671 N LYS A 43 12.677 -21.180 39.285 1.00 0.00 N ATOM 672 CA LYS A 43 13.026 -20.549 38.018 1.00 0.00 C ATOM 673 C LYS A 43 11.807 -20.422 37.112 1.00 0.00 C ATOM 674 O LYS A 43 10.954 -21.309 37.076 1.00 0.00 O ATOM 675 CB LYS A 43 14.126 -21.341 37.310 1.00 0.00 C ATOM 676 CG LYS A 43 15.437 -21.422 38.080 1.00 0.00 C ATOM 677 CD LYS A 43 16.500 -22.166 37.286 1.00 0.00 C ATOM 678 CE LYS A 43 17.804 -22.269 38.064 1.00 0.00 C ATOM 679 NZ LYS A 43 18.855 -22.990 37.296 1.00 0.00 N ATOM 0 H LYS A 43 12.034 -21.967 39.201 1.00 0.00 H new ATOM 0 HA LYS A 43 13.396 -19.547 38.236 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.766 -22.352 37.123 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.317 -20.886 36.338 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.789 -20.416 38.309 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.271 -21.927 39.032 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.141 -23.166 37.042 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.678 -21.651 36.342 1.00 0.00 H new ATOM 0 HE2 LYS A 43 18.158 -21.268 38.312 1.00 0.00 H new ATOM 0 HE3 LYS A 43 17.624 -22.786 39.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 19.727 -23.038 37.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 18.528 -23.954 37.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 19.046 -22.483 36.408 1.00 0.00 H new ATOM 693 N LEU A 44 11.731 -19.314 36.383 1.00 0.00 N ATOM 694 CA LEU A 44 10.665 -19.109 35.410 1.00 0.00 C ATOM 695 C LEU A 44 10.929 -19.892 34.130 1.00 0.00 C ATOM 696 O LEU A 44 12.077 -20.059 33.719 1.00 0.00 O ATOM 697 CB LEU A 44 10.524 -17.617 35.085 1.00 0.00 C ATOM 698 CG LEU A 44 10.079 -16.721 36.248 1.00 0.00 C ATOM 699 CD1 LEU A 44 10.215 -15.259 35.844 1.00 0.00 C ATOM 700 CD2 LEU A 44 8.643 -17.054 36.625 1.00 0.00 C ATOM 0 H LEU A 44 12.396 -18.543 36.448 1.00 0.00 H new ATOM 0 HA LEU A 44 9.736 -19.473 35.850 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.483 -17.252 34.716 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.807 -17.508 34.271 1.00 0.00 H new ATOM 0 HG LEU A 44 10.712 -16.897 37.118 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.899 -14.622 36.670 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.255 -15.045 35.598 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.589 -15.062 34.974 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.327 -16.417 37.451 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.993 -16.884 35.767 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.579 -18.099 36.927 1.00 0.00 H new ATOM 712 N GLY A 45 9.859 -20.370 33.503 1.00 0.00 N ATOM 713 CA GLY A 45 9.967 -21.062 32.224 1.00 0.00 C ATOM 714 C GLY A 45 10.090 -20.073 31.072 1.00 0.00 C ATOM 715 O GLY A 45 10.036 -18.860 31.274 1.00 0.00 O ATOM 0 H GLY A 45 8.907 -20.291 33.860 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.836 -21.720 32.236 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.091 -21.693 32.073 1.00 0.00 H new ATOM 719 N LYS A 46 10.256 -20.599 29.863 1.00 0.00 N ATOM 720 CA LYS A 46 10.502 -19.766 28.692 1.00 0.00 C ATOM 721 C LYS A 46 9.748 -20.288 27.476 1.00 0.00 C ATOM 722 O LYS A 46 10.238 -21.159 26.757 1.00 0.00 O ATOM 723 CB LYS A 46 12.000 -19.694 28.392 1.00 0.00 C ATOM 724 CG LYS A 46 12.830 -19.032 29.484 1.00 0.00 C ATOM 725 CD LYS A 46 14.299 -18.960 29.095 1.00 0.00 C ATOM 726 CE LYS A 46 15.130 -18.303 30.187 1.00 0.00 C ATOM 727 NZ LYS A 46 16.573 -18.244 29.829 1.00 0.00 N ATOM 0 H LYS A 46 10.225 -21.600 29.669 1.00 0.00 H new ATOM 0 HA LYS A 46 10.137 -18.763 28.913 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.375 -20.705 28.230 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.146 -19.147 27.460 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.452 -18.027 29.672 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.725 -19.592 30.413 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.676 -19.965 28.903 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.404 -18.398 28.167 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.759 -17.294 30.367 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.010 -18.858 31.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.104 -17.789 30.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.934 -19.208 29.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.692 -17.693 28.955 1.00 0.00 H new ATOM 741 N LYS A 47 8.555 -19.751 27.250 1.00 0.00 N ATOM 742 CA LYS A 47 7.756 -20.118 26.087 1.00 0.00 C ATOM 743 C LYS A 47 8.123 -19.267 24.877 1.00 0.00 C ATOM 744 O LYS A 47 7.653 -18.138 24.735 1.00 0.00 O ATOM 745 CB LYS A 47 6.265 -19.979 26.395 1.00 0.00 C ATOM 746 CG LYS A 47 5.345 -20.427 25.267 1.00 0.00 C ATOM 747 CD LYS A 47 3.882 -20.321 25.671 1.00 0.00 C ATOM 748 CE LYS A 47 2.963 -20.810 24.561 1.00 0.00 C ATOM 749 NZ LYS A 47 1.528 -20.707 24.941 1.00 0.00 N ATOM 0 H LYS A 47 8.119 -19.058 27.858 1.00 0.00 H new ATOM 0 HA LYS A 47 7.972 -21.160 25.850 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.035 -20.561 27.288 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.051 -18.936 26.630 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.526 -19.815 24.383 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.575 -21.457 24.994 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.709 -20.907 26.574 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.644 -19.285 25.913 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.142 -20.226 23.658 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.202 -21.847 24.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.936 -21.050 24.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.351 -21.284 25.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.293 -19.714 25.144 1.00 0.00 H new ATOM 763 N VAL A 48 8.963 -19.816 24.007 1.00 0.00 N ATOM 764 CA VAL A 48 9.502 -19.062 22.882 1.00 0.00 C ATOM 765 C VAL A 48 8.713 -19.334 21.608 1.00 0.00 C ATOM 766 O VAL A 48 8.543 -20.484 21.205 1.00 0.00 O ATOM 767 CB VAL A 48 10.981 -19.426 22.653 1.00 0.00 C ATOM 768 CG1 VAL A 48 11.532 -18.684 21.445 1.00 0.00 C ATOM 769 CG2 VAL A 48 11.792 -19.104 23.899 1.00 0.00 C ATOM 0 H VAL A 48 9.286 -20.782 24.060 1.00 0.00 H new ATOM 0 HA VAL A 48 9.420 -18.003 23.125 1.00 0.00 H new ATOM 0 HB VAL A 48 11.055 -20.495 22.455 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.578 -18.953 21.298 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.959 -18.956 20.558 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.454 -17.610 21.611 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.837 -19.364 23.730 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.714 -18.039 24.119 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.407 -19.678 24.742 1.00 0.00 H new ATOM 779 N GLU A 49 8.232 -18.268 20.977 1.00 0.00 N ATOM 780 CA GLU A 49 7.545 -18.381 19.696 1.00 0.00 C ATOM 781 C GLU A 49 8.170 -17.464 18.653 1.00 0.00 C ATOM 782 O GLU A 49 8.167 -16.242 18.804 1.00 0.00 O ATOM 783 CB GLU A 49 6.059 -18.049 19.856 1.00 0.00 C ATOM 784 CG GLU A 49 5.247 -18.168 18.574 1.00 0.00 C ATOM 785 CD GLU A 49 3.786 -17.880 18.779 1.00 0.00 C ATOM 786 OE1 GLU A 49 3.398 -17.641 19.897 1.00 0.00 O ATOM 787 OE2 GLU A 49 3.056 -17.900 17.816 1.00 0.00 O ATOM 0 H GLU A 49 8.306 -17.315 21.333 1.00 0.00 H new ATOM 0 HA GLU A 49 7.647 -19.411 19.353 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.630 -18.713 20.607 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.965 -17.032 20.238 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.647 -17.478 17.831 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.361 -19.174 18.170 1.00 0.00 H new ATOM 794 N ILE A 50 8.705 -18.060 17.593 1.00 0.00 N ATOM 795 CA ILE A 50 9.325 -17.297 16.516 1.00 0.00 C ATOM 796 C ILE A 50 8.414 -17.226 15.297 1.00 0.00 C ATOM 797 O ILE A 50 8.038 -18.251 14.729 1.00 0.00 O ATOM 798 CB ILE A 50 10.676 -17.915 16.112 1.00 0.00 C ATOM 799 CG1 ILE A 50 11.616 -17.979 17.318 1.00 0.00 C ATOM 800 CG2 ILE A 50 11.308 -17.118 14.981 1.00 0.00 C ATOM 801 CD1 ILE A 50 12.866 -18.794 17.076 1.00 0.00 C ATOM 0 H ILE A 50 8.722 -19.071 17.457 1.00 0.00 H new ATOM 0 HA ILE A 50 9.493 -16.287 16.889 1.00 0.00 H new ATOM 0 HB ILE A 50 10.501 -18.931 15.759 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.903 -16.965 17.597 1.00 0.00 H new ATOM 0 HG13 ILE A 50 11.076 -18.402 18.165 1.00 0.00 H new ATOM 0 HG21 ILE A 50 12.262 -17.568 14.708 1.00 0.00 H new ATOM 0 HG22 ILE A 50 10.644 -17.123 14.117 1.00 0.00 H new ATOM 0 HG23 ILE A 50 11.472 -16.091 15.307 1.00 0.00 H new ATOM 0 HD11 ILE A 50 13.481 -18.792 17.976 1.00 0.00 H new ATOM 0 HD12 ILE A 50 12.590 -19.819 16.827 1.00 0.00 H new ATOM 0 HD13 ILE A 50 13.429 -18.360 16.250 1.00 0.00 H new ATOM 813 N VAL A 51 8.061 -16.008 14.900 1.00 0.00 N ATOM 814 CA VAL A 51 7.099 -15.802 13.823 1.00 0.00 C ATOM 815 C VAL A 51 7.689 -14.940 12.715 1.00 0.00 C ATOM 816 O VAL A 51 8.301 -13.906 12.979 1.00 0.00 O ATOM 817 CB VAL A 51 5.824 -15.131 14.368 1.00 0.00 C ATOM 818 CG1 VAL A 51 4.837 -14.868 13.240 1.00 0.00 C ATOM 819 CG2 VAL A 51 5.195 -16.007 15.440 1.00 0.00 C ATOM 0 H VAL A 51 8.427 -15.148 15.308 1.00 0.00 H new ATOM 0 HA VAL A 51 6.850 -16.779 13.409 1.00 0.00 H new ATOM 0 HB VAL A 51 6.092 -14.173 14.813 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.942 -14.394 13.643 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.295 -14.210 12.502 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.566 -15.812 12.767 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.294 -15.526 15.821 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.936 -16.976 15.013 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.903 -16.148 16.256 1.00 0.00 H new ATOM 829 N ARG A 52 7.501 -15.373 11.472 1.00 0.00 N ATOM 830 CA ARG A 52 7.939 -14.599 10.317 1.00 0.00 C ATOM 831 C ARG A 52 6.818 -13.713 9.791 1.00 0.00 C ATOM 832 O ARG A 52 5.728 -14.193 9.480 1.00 0.00 O ATOM 833 CB ARG A 52 8.416 -15.522 9.205 1.00 0.00 C ATOM 834 CG ARG A 52 8.913 -14.812 7.955 1.00 0.00 C ATOM 835 CD ARG A 52 9.375 -15.776 6.924 1.00 0.00 C ATOM 836 NE ARG A 52 10.586 -16.469 7.333 1.00 0.00 N ATOM 837 CZ ARG A 52 11.106 -17.539 6.700 1.00 0.00 C ATOM 838 NH1 ARG A 52 10.511 -18.025 5.633 1.00 0.00 N ATOM 839 NH2 ARG A 52 12.215 -18.099 7.152 1.00 0.00 N ATOM 0 H ARG A 52 7.048 -16.257 11.239 1.00 0.00 H new ATOM 0 HA ARG A 52 8.764 -13.965 10.641 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.218 -16.150 9.592 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.598 -16.186 8.927 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.114 -14.195 7.544 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.730 -14.141 8.218 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.588 -16.505 6.730 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.558 -15.247 5.989 1.00 0.00 H new ATOM 0 HE ARG A 52 11.076 -16.121 8.157 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.656 -17.592 5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.905 -18.835 5.154 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.677 -17.721 7.979 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.609 -18.909 6.673 1.00 0.00 H new ATOM 853 N ILE A 53 7.092 -12.416 9.693 1.00 0.00 N ATOM 854 CA ILE A 53 6.097 -11.455 9.232 1.00 0.00 C ATOM 855 C ILE A 53 6.340 -11.065 7.780 1.00 0.00 C ATOM 856 O ILE A 53 7.372 -10.481 7.448 1.00 0.00 O ATOM 857 CB ILE A 53 6.105 -10.192 10.112 1.00 0.00 C ATOM 858 CG1 ILE A 53 5.815 -10.555 11.570 1.00 0.00 C ATOM 859 CG2 ILE A 53 5.090 -9.181 9.600 1.00 0.00 C ATOM 860 CD1 ILE A 53 6.043 -9.418 12.540 1.00 0.00 C ATOM 0 H ILE A 53 7.996 -12.006 9.927 1.00 0.00 H new ATOM 0 HA ILE A 53 5.122 -11.936 9.307 1.00 0.00 H new ATOM 0 HB ILE A 53 7.096 -9.740 10.061 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.781 -10.888 11.653 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.445 -11.397 11.857 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.109 -8.294 10.233 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.340 -8.901 8.576 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.094 -9.622 9.623 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.816 -9.752 13.552 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.084 -9.098 12.488 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.393 -8.582 12.280 1.00 0.00 H new ATOM 872 N PHE A 54 5.384 -11.391 6.917 1.00 0.00 N ATOM 873 CA PHE A 54 5.505 -11.101 5.493 1.00 0.00 C ATOM 874 C PHE A 54 4.885 -9.752 5.151 1.00 0.00 C ATOM 875 O PHE A 54 3.717 -9.501 5.449 1.00 0.00 O ATOM 876 CB PHE A 54 4.836 -12.200 4.665 1.00 0.00 C ATOM 877 CG PHE A 54 4.937 -11.987 3.182 1.00 0.00 C ATOM 878 CD1 PHE A 54 6.149 -11.651 2.596 1.00 0.00 C ATOM 879 CD2 PHE A 54 3.822 -12.121 2.369 1.00 0.00 C ATOM 880 CE1 PHE A 54 6.244 -11.455 1.231 1.00 0.00 C ATOM 881 CE2 PHE A 54 3.914 -11.927 1.004 1.00 0.00 C ATOM 882 CZ PHE A 54 5.126 -11.593 0.435 1.00 0.00 C ATOM 0 H PHE A 54 4.515 -11.857 7.179 1.00 0.00 H new ATOM 0 HA PHE A 54 6.567 -11.065 5.251 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.289 -13.159 4.917 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.784 -12.262 4.943 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.028 -11.541 3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.870 -12.380 2.808 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.194 -11.194 0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.038 -12.037 0.383 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.199 -11.440 -0.632 1.00 0.00 H new ATOM 892 N SER A 55 5.674 -8.886 4.524 1.00 0.00 N ATOM 893 CA SER A 55 5.207 -7.556 4.152 1.00 0.00 C ATOM 894 C SER A 55 5.709 -7.164 2.768 1.00 0.00 C ATOM 895 O SER A 55 6.838 -7.479 2.394 1.00 0.00 O ATOM 896 CB SER A 55 5.669 -6.536 5.174 1.00 0.00 C ATOM 897 OG SER A 55 5.324 -5.236 4.779 1.00 0.00 O ATOM 0 H SER A 55 6.640 -9.082 4.263 1.00 0.00 H new ATOM 0 HA SER A 55 4.117 -7.576 4.128 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.219 -6.757 6.142 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.749 -6.607 5.301 1.00 0.00 H new ATOM 0 HG SER A 55 5.631 -4.596 5.455 1.00 0.00 H new ATOM 903 N VAL A 56 4.862 -6.474 2.011 1.00 0.00 N ATOM 904 CA VAL A 56 5.213 -6.047 0.662 1.00 0.00 C ATOM 905 C VAL A 56 5.046 -4.542 0.500 1.00 0.00 C ATOM 906 O VAL A 56 3.958 -4.003 0.701 1.00 0.00 O ATOM 907 CB VAL A 56 4.335 -6.773 -0.374 1.00 0.00 C ATOM 908 CG1 VAL A 56 4.664 -6.294 -1.780 1.00 0.00 C ATOM 909 CG2 VAL A 56 4.532 -8.277 -0.257 1.00 0.00 C ATOM 0 H VAL A 56 3.926 -6.198 2.310 1.00 0.00 H new ATOM 0 HA VAL A 56 6.260 -6.302 0.496 1.00 0.00 H new ATOM 0 HB VAL A 56 3.289 -6.542 -0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.034 -6.817 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.482 -5.222 -1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.712 -6.499 -1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.908 -8.784 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.579 -8.522 -0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.251 -8.604 0.744 1.00 0.00 H new ATOM 919 N ASN A 57 6.131 -3.867 0.134 1.00 0.00 N ATOM 920 CA ASN A 57 6.106 -2.423 -0.061 1.00 0.00 C ATOM 921 C ASN A 57 5.692 -1.702 1.216 1.00 0.00 C ATOM 922 O ASN A 57 4.895 -0.764 1.180 1.00 0.00 O ATOM 923 CB ASN A 57 5.180 -2.055 -1.206 1.00 0.00 C ATOM 924 CG ASN A 57 5.467 -0.689 -1.765 1.00 0.00 C ATOM 925 OD1 ASN A 57 6.525 -0.106 -1.501 1.00 0.00 O ATOM 926 ND2 ASN A 57 4.545 -0.167 -2.533 1.00 0.00 N ATOM 0 H ASN A 57 7.040 -4.299 -0.034 1.00 0.00 H new ATOM 0 HA ASN A 57 7.116 -2.101 -0.315 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.277 -2.796 -1.999 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.147 -2.092 -0.860 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.684 0.757 -2.941 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.687 -0.685 -2.724 1.00 0.00 H new ATOM 933 N LYS A 58 6.237 -2.145 2.343 1.00 0.00 N ATOM 934 CA LYS A 58 5.866 -1.596 3.642 1.00 0.00 C ATOM 935 C LYS A 58 4.373 -1.756 3.901 1.00 0.00 C ATOM 936 O LYS A 58 3.701 -0.813 4.318 1.00 0.00 O ATOM 937 CB LYS A 58 6.260 -0.121 3.733 1.00 0.00 C ATOM 938 CG LYS A 58 7.754 0.141 3.592 1.00 0.00 C ATOM 939 CD LYS A 58 8.079 1.612 3.801 1.00 0.00 C ATOM 940 CE LYS A 58 9.570 1.876 3.657 1.00 0.00 C ATOM 941 NZ LYS A 58 9.903 3.314 3.852 1.00 0.00 N ATOM 0 H LYS A 58 6.939 -2.884 2.383 1.00 0.00 H new ATOM 0 HA LYS A 58 6.407 -2.154 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.732 0.432 2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.923 0.274 4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.301 -0.461 4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.088 -0.170 2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.530 2.214 3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.747 1.923 4.792 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.116 1.275 4.384 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.901 1.558 2.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.929 3.450 3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.402 3.886 3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.611 3.612 4.805 1.00 0.00 H new ATOM 955 N GLU A 59 3.860 -2.956 3.651 1.00 0.00 N ATOM 956 CA GLU A 59 2.470 -3.273 3.956 1.00 0.00 C ATOM 957 C GLU A 59 2.322 -4.718 4.414 1.00 0.00 C ATOM 958 O GLU A 59 2.575 -5.650 3.652 1.00 0.00 O ATOM 959 CB GLU A 59 1.585 -3.023 2.732 1.00 0.00 C ATOM 960 CG GLU A 59 0.103 -3.280 2.964 1.00 0.00 C ATOM 961 CD GLU A 59 -0.743 -2.948 1.766 1.00 0.00 C ATOM 962 OE1 GLU A 59 -0.195 -2.544 0.769 1.00 0.00 O ATOM 963 OE2 GLU A 59 -1.939 -3.100 1.849 1.00 0.00 O ATOM 0 H GLU A 59 4.387 -3.726 3.238 1.00 0.00 H new ATOM 0 HA GLU A 59 2.151 -2.621 4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.716 -1.990 2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.928 -3.658 1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.042 -4.328 3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.234 -2.689 3.816 1.00 0.00 H new ATOM 970 N GLU A 60 1.910 -4.897 5.665 1.00 0.00 N ATOM 971 CA GLU A 60 1.793 -6.228 6.249 1.00 0.00 C ATOM 972 C GLU A 60 0.803 -7.086 5.472 1.00 0.00 C ATOM 973 O GLU A 60 -0.335 -6.680 5.238 1.00 0.00 O ATOM 974 CB GLU A 60 1.358 -6.131 7.713 1.00 0.00 C ATOM 975 CG GLU A 60 1.357 -7.458 8.458 1.00 0.00 C ATOM 976 CD GLU A 60 1.031 -7.310 9.918 1.00 0.00 C ATOM 977 OE1 GLU A 60 0.697 -6.223 10.325 1.00 0.00 O ATOM 978 OE2 GLU A 60 1.117 -8.284 10.628 1.00 0.00 O ATOM 0 H GLU A 60 1.652 -4.137 6.294 1.00 0.00 H new ATOM 0 HA GLU A 60 2.773 -6.702 6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.021 -5.438 8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.356 -5.704 7.754 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.632 -8.128 7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.336 -7.927 8.355 1.00 0.00 H new ATOM 985 N VAL A 61 1.244 -8.274 5.073 1.00 0.00 N ATOM 986 CA VAL A 61 0.410 -9.177 4.288 1.00 0.00 C ATOM 987 C VAL A 61 -0.086 -10.343 5.132 1.00 0.00 C ATOM 988 O VAL A 61 -1.290 -10.578 5.238 1.00 0.00 O ATOM 989 CB VAL A 61 1.199 -9.719 3.081 1.00 0.00 C ATOM 990 CG1 VAL A 61 0.361 -10.723 2.305 1.00 0.00 C ATOM 991 CG2 VAL A 61 1.630 -8.568 2.185 1.00 0.00 C ATOM 0 H VAL A 61 2.175 -8.634 5.281 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.452 -8.610 3.937 1.00 0.00 H new ATOM 0 HB VAL A 61 2.091 -10.232 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.934 -11.096 1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.095 -11.555 2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.547 -10.239 1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.187 -8.959 1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.749 -8.035 1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.263 -7.884 2.750 1.00 0.00 H new ATOM 1001 N SER A 62 0.849 -11.072 5.733 1.00 0.00 N ATOM 1002 CA SER A 62 0.512 -12.256 6.514 1.00 0.00 C ATOM 1003 C SER A 62 1.669 -12.669 7.414 1.00 0.00 C ATOM 1004 O SER A 62 2.756 -12.095 7.347 1.00 0.00 O ATOM 1005 CB SER A 62 0.144 -13.402 5.592 1.00 0.00 C ATOM 1006 OG SER A 62 1.268 -13.872 4.900 1.00 0.00 O ATOM 0 H SER A 62 1.847 -10.863 5.694 1.00 0.00 H new ATOM 0 HA SER A 62 -0.342 -12.011 7.145 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.295 -14.213 6.172 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.613 -13.072 4.881 1.00 0.00 H new ATOM 0 HG SER A 62 1.005 -14.612 4.313 1.00 0.00 H new ATOM 1012 N ARG A 63 1.429 -13.668 8.258 1.00 0.00 N ATOM 1013 CA ARG A 63 2.453 -14.163 9.170 1.00 0.00 C ATOM 1014 C ARG A 63 2.496 -15.686 9.174 1.00 0.00 C ATOM 1015 O ARG A 63 1.493 -16.346 8.902 1.00 0.00 O ATOM 1016 CB ARG A 63 2.198 -13.662 10.584 1.00 0.00 C ATOM 1017 CG ARG A 63 2.181 -12.149 10.732 1.00 0.00 C ATOM 1018 CD ARG A 63 2.038 -11.738 12.152 1.00 0.00 C ATOM 1019 NE ARG A 63 1.828 -10.305 12.284 1.00 0.00 N ATOM 1020 CZ ARG A 63 1.815 -9.638 13.455 1.00 0.00 C ATOM 1021 NH1 ARG A 63 2.001 -10.287 14.583 1.00 0.00 N ATOM 1022 NH2 ARG A 63 1.616 -8.331 13.468 1.00 0.00 N ATOM 0 H ARG A 63 0.533 -14.151 8.329 1.00 0.00 H new ATOM 0 HA ARG A 63 3.414 -13.785 8.820 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.242 -14.057 10.927 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.966 -14.069 11.242 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.102 -11.733 10.324 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.358 -11.735 10.149 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.200 -12.271 12.601 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.932 -12.026 12.705 1.00 0.00 H new ATOM 0 HE ARG A 63 1.680 -9.767 11.430 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.155 -11.295 14.572 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.991 -9.782 15.469 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.472 -7.828 12.592 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.606 -7.825 14.354 1.00 0.00 H new ATOM 1036 N GLU A 64 3.664 -16.239 9.486 1.00 0.00 N ATOM 1037 CA GLU A 64 3.825 -17.684 9.583 1.00 0.00 C ATOM 1038 C GLU A 64 4.831 -18.054 10.666 1.00 0.00 C ATOM 1039 O GLU A 64 5.924 -17.492 10.729 1.00 0.00 O ATOM 1040 CB GLU A 64 4.271 -18.263 8.239 1.00 0.00 C ATOM 1041 CG GLU A 64 4.403 -19.779 8.220 1.00 0.00 C ATOM 1042 CD GLU A 64 4.791 -20.316 6.870 1.00 0.00 C ATOM 1043 OE1 GLU A 64 5.013 -19.530 5.981 1.00 0.00 O ATOM 1044 OE2 GLU A 64 4.866 -21.514 6.728 1.00 0.00 O ATOM 0 H GLU A 64 4.513 -15.707 9.676 1.00 0.00 H new ATOM 0 HA GLU A 64 2.858 -18.110 9.852 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.556 -17.963 7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.231 -17.823 7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.149 -20.083 8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.456 -20.225 8.524 1.00 0.00 H new ATOM 1051 N ILE A 65 4.455 -19.004 11.516 1.00 0.00 N ATOM 1052 CA ILE A 65 5.302 -19.414 12.630 1.00 0.00 C ATOM 1053 C ILE A 65 6.521 -20.185 12.141 1.00 0.00 C ATOM 1054 O ILE A 65 6.392 -21.201 11.459 1.00 0.00 O ATOM 1055 CB ILE A 65 4.513 -20.279 13.630 1.00 0.00 C ATOM 1056 CG1 ILE A 65 3.371 -19.471 14.251 1.00 0.00 C ATOM 1057 CG2 ILE A 65 5.437 -20.818 14.711 1.00 0.00 C ATOM 1058 CD1 ILE A 65 2.406 -20.303 15.064 1.00 0.00 C ATOM 0 H ILE A 65 3.568 -19.505 11.454 1.00 0.00 H new ATOM 0 HA ILE A 65 5.640 -18.507 13.132 1.00 0.00 H new ATOM 0 HB ILE A 65 4.083 -21.124 13.093 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.793 -18.694 14.889 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.821 -18.967 13.456 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.863 -21.427 15.409 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.216 -21.427 14.253 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.895 -19.986 15.246 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.625 -19.661 15.471 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.954 -21.063 14.427 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.941 -20.786 15.881 1.00 0.00 H new ATOM 1070 N VAL A 66 7.705 -19.695 12.494 1.00 0.00 N ATOM 1071 CA VAL A 66 8.950 -20.338 12.091 1.00 0.00 C ATOM 1072 C VAL A 66 9.254 -21.546 12.968 1.00 0.00 C ATOM 1073 O VAL A 66 9.517 -22.639 12.466 1.00 0.00 O ATOM 1074 CB VAL A 66 10.119 -19.339 12.176 1.00 0.00 C ATOM 1075 CG1 VAL A 66 11.441 -20.041 11.905 1.00 0.00 C ATOM 1076 CG2 VAL A 66 9.900 -18.201 11.190 1.00 0.00 C ATOM 0 H VAL A 66 7.828 -18.854 13.058 1.00 0.00 H new ATOM 0 HA VAL A 66 8.831 -20.675 11.061 1.00 0.00 H new ATOM 0 HB VAL A 66 10.158 -18.925 13.184 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.256 -19.320 11.969 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.593 -20.828 12.644 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.422 -20.479 10.907 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.730 -17.498 11.255 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.843 -18.602 10.178 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.969 -17.686 11.429 1.00 0.00 H new ATOM 1086 N SER A 67 9.217 -21.343 14.280 1.00 0.00 N ATOM 1087 CA SER A 67 9.578 -22.391 15.228 1.00 0.00 C ATOM 1088 C SER A 67 9.196 -22.001 16.651 1.00 0.00 C ATOM 1089 O SER A 67 9.281 -20.833 17.029 1.00 0.00 O ATOM 1090 CB SER A 67 11.066 -22.672 15.154 1.00 0.00 C ATOM 1091 OG SER A 67 11.434 -23.671 16.065 1.00 0.00 O ATOM 0 H SER A 67 8.940 -20.461 14.712 1.00 0.00 H new ATOM 0 HA SER A 67 9.026 -23.292 14.960 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.332 -22.981 14.143 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.623 -21.759 15.365 1.00 0.00 H new ATOM 0 HG SER A 67 12.398 -23.836 15.998 1.00 0.00 H new ATOM 1097 N THR A 68 8.775 -22.987 17.436 1.00 0.00 N ATOM 1098 CA THR A 68 8.425 -22.759 18.833 1.00 0.00 C ATOM 1099 C THR A 68 9.201 -23.691 19.754 1.00 0.00 C ATOM 1100 O THR A 68 9.614 -24.777 19.349 1.00 0.00 O ATOM 1101 CB THR A 68 6.914 -22.942 19.063 1.00 0.00 C ATOM 1102 OG1 THR A 68 6.543 -24.294 18.763 1.00 0.00 O ATOM 1103 CG2 THR A 68 6.120 -21.994 18.179 1.00 0.00 C ATOM 0 H THR A 68 8.668 -23.953 17.128 1.00 0.00 H new ATOM 0 HA THR A 68 8.694 -21.730 19.070 1.00 0.00 H new ATOM 0 HB THR A 68 6.691 -22.719 20.107 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.581 -24.410 18.911 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.054 -22.138 18.356 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.391 -20.965 18.414 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.345 -22.198 17.132 1.00 0.00 H new ATOM 1111 N SER A 69 9.396 -23.260 20.996 1.00 0.00 N ATOM 1112 CA SER A 69 10.067 -24.082 21.996 1.00 0.00 C ATOM 1113 C SER A 69 9.798 -23.567 23.403 1.00 0.00 C ATOM 1114 O SER A 69 10.068 -22.406 23.712 1.00 0.00 O ATOM 1115 CB SER A 69 11.560 -24.107 21.733 1.00 0.00 C ATOM 1116 OG SER A 69 12.228 -24.862 22.706 1.00 0.00 O ATOM 0 H SER A 69 9.098 -22.345 21.334 1.00 0.00 H new ATOM 0 HA SER A 69 9.669 -25.094 21.922 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.752 -24.527 20.746 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.949 -23.089 21.727 1.00 0.00 H new ATOM 0 HG SER A 69 13.189 -24.865 22.515 1.00 0.00 H new ATOM 1122 N THR A 70 9.264 -24.436 24.254 1.00 0.00 N ATOM 1123 CA THR A 70 8.868 -24.045 25.602 1.00 0.00 C ATOM 1124 C THR A 70 9.740 -24.724 26.651 1.00 0.00 C ATOM 1125 O THR A 70 9.803 -25.952 26.719 1.00 0.00 O ATOM 1126 CB THR A 70 7.388 -24.379 25.865 1.00 0.00 C ATOM 1127 OG1 THR A 70 6.564 -23.691 24.915 1.00 0.00 O ATOM 1128 CG2 THR A 70 6.989 -23.963 27.272 1.00 0.00 C ATOM 0 H THR A 70 9.095 -25.418 24.034 1.00 0.00 H new ATOM 0 HA THR A 70 9.004 -22.966 25.677 1.00 0.00 H new ATOM 0 HB THR A 70 7.251 -25.455 25.763 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.623 -23.906 25.082 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.940 -24.207 27.440 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.605 -24.494 27.997 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.135 -22.889 27.389 1.00 0.00 H new ATOM 1136 N THR A 71 10.411 -23.919 27.467 1.00 0.00 N ATOM 1137 CA THR A 71 11.156 -24.433 28.609 1.00 0.00 C ATOM 1138 C THR A 71 10.281 -24.497 29.855 1.00 0.00 C ATOM 1139 O THR A 71 9.679 -23.500 30.254 1.00 0.00 O ATOM 1140 CB THR A 71 12.399 -23.571 28.895 1.00 0.00 C ATOM 1141 OG1 THR A 71 13.279 -23.607 27.763 1.00 0.00 O ATOM 1142 CG2 THR A 71 13.136 -24.085 30.122 1.00 0.00 C ATOM 0 H THR A 71 10.454 -22.906 27.358 1.00 0.00 H new ATOM 0 HA THR A 71 11.478 -25.443 28.354 1.00 0.00 H new ATOM 0 HB THR A 71 12.076 -22.547 29.082 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.069 -23.057 27.945 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.011 -23.463 30.308 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.474 -24.047 30.987 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.452 -25.114 29.952 1.00 0.00 H new ATOM 1150 N ALA A 72 10.214 -25.675 30.465 1.00 0.00 N ATOM 1151 CA ALA A 72 9.373 -25.884 31.637 1.00 0.00 C ATOM 1152 C ALA A 72 9.878 -25.079 32.828 1.00 0.00 C ATOM 1153 O ALA A 72 11.084 -24.930 33.022 1.00 0.00 O ATOM 1154 CB ALA A 72 9.310 -27.364 31.987 1.00 0.00 C ATOM 0 H ALA A 72 10.733 -26.501 30.167 1.00 0.00 H new ATOM 0 HA ALA A 72 8.369 -25.536 31.397 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.678 -27.504 32.864 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.892 -27.919 31.147 1.00 0.00 H new ATOM 0 HB3 ALA A 72 10.314 -27.730 32.201 1.00 0.00 H new ATOM 1160 N PRO A 73 8.947 -24.562 33.624 1.00 0.00 N ATOM 1161 CA PRO A 73 9.297 -23.808 34.821 1.00 0.00 C ATOM 1162 C PRO A 73 9.804 -24.728 35.924 1.00 0.00 C ATOM 1163 O PRO A 73 9.612 -25.942 35.869 1.00 0.00 O ATOM 1164 CB PRO A 73 7.972 -23.141 35.207 1.00 0.00 C ATOM 1165 CG PRO A 73 6.930 -24.092 34.726 1.00 0.00 C ATOM 1166 CD PRO A 73 7.477 -24.621 33.427 1.00 0.00 C ATOM 0 HA PRO A 73 10.103 -23.092 34.660 1.00 0.00 H new ATOM 0 HB2 PRO A 73 7.903 -22.986 36.284 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.866 -22.163 34.737 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.764 -24.895 35.444 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.973 -23.592 34.580 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.138 -25.639 33.233 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.160 -24.012 32.580 1.00 0.00 H new ATOM 1174 N SER A 74 10.453 -24.142 36.924 1.00 0.00 N ATOM 1175 CA SER A 74 11.003 -24.910 38.035 1.00 0.00 C ATOM 1176 C SER A 74 10.420 -24.449 39.365 1.00 0.00 C ATOM 1177 O SER A 74 10.860 -23.450 39.934 1.00 0.00 O ATOM 1178 CB SER A 74 12.513 -24.780 38.063 1.00 0.00 C ATOM 1179 OG SER A 74 13.056 -25.463 39.159 1.00 0.00 O ATOM 0 H SER A 74 10.611 -23.136 36.988 1.00 0.00 H new ATOM 0 HA SER A 74 10.733 -25.956 37.887 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.933 -25.177 37.139 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.790 -23.727 38.113 1.00 0.00 H new ATOM 0 HG SER A 74 13.450 -24.819 39.784 1.00 0.00 H new ATOM 1185 N PRO A 75 9.427 -25.183 39.856 1.00 0.00 N ATOM 1186 CA PRO A 75 8.851 -24.914 41.168 1.00 0.00 C ATOM 1187 C PRO A 75 9.925 -24.899 42.248 1.00 0.00 C ATOM 1188 O PRO A 75 10.872 -25.684 42.207 1.00 0.00 O ATOM 1189 CB PRO A 75 7.873 -26.077 41.360 1.00 0.00 C ATOM 1190 CG PRO A 75 7.510 -26.483 39.973 1.00 0.00 C ATOM 1191 CD PRO A 75 8.788 -26.331 39.192 1.00 0.00 C ATOM 0 HA PRO A 75 8.369 -23.939 41.236 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.334 -26.899 41.908 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.995 -25.769 41.927 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.145 -27.510 39.942 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.719 -25.851 39.568 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.406 -27.227 39.245 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.599 -26.137 38.136 1.00 0.00 H new ATOM 1199 N ARG A 76 9.771 -24.000 43.215 1.00 0.00 N ATOM 1200 CA ARG A 76 10.770 -23.824 44.262 1.00 0.00 C ATOM 1201 C ARG A 76 10.450 -24.681 45.480 1.00 0.00 C ATOM 1202 O ARG A 76 9.376 -24.562 46.069 1.00 0.00 O ATOM 1203 CB ARG A 76 10.854 -22.363 44.682 1.00 0.00 C ATOM 1204 CG ARG A 76 11.944 -22.050 45.694 1.00 0.00 C ATOM 1205 CD ARG A 76 12.176 -20.588 45.817 1.00 0.00 C ATOM 1206 NE ARG A 76 11.073 -19.919 46.489 1.00 0.00 N ATOM 1207 CZ ARG A 76 10.986 -19.738 47.821 1.00 0.00 C ATOM 1208 NH1 ARG A 76 11.940 -20.181 48.609 1.00 0.00 N ATOM 1209 NH2 ARG A 76 9.940 -19.115 48.336 1.00 0.00 N ATOM 0 H ARG A 76 8.963 -23.382 43.295 1.00 0.00 H new ATOM 0 HA ARG A 76 11.730 -24.140 43.854 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.018 -21.753 43.793 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.893 -22.065 45.101 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.666 -22.457 46.666 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.870 -22.542 45.395 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.099 -20.412 46.370 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.312 -20.157 44.825 1.00 0.00 H new ATOM 0 HE ARG A 76 10.312 -19.562 45.911 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.747 -20.662 48.212 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.873 -20.044 49.617 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.199 -18.772 47.725 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.874 -18.978 49.345 1.00 0.00 H new ATOM 1223 N ILE A 77 11.388 -25.546 45.852 1.00 0.00 N ATOM 1224 CA ILE A 77 11.195 -26.446 46.982 1.00 0.00 C ATOM 1225 C ILE A 77 12.273 -26.244 48.038 1.00 0.00 C ATOM 1226 O ILE A 77 13.466 -26.332 47.747 1.00 0.00 O ATOM 1227 CB ILE A 77 11.197 -27.915 46.520 1.00 0.00 C ATOM 1228 CG1 ILE A 77 10.098 -28.150 45.481 1.00 0.00 C ATOM 1229 CG2 ILE A 77 11.018 -28.847 47.709 1.00 0.00 C ATOM 1230 CD1 ILE A 77 10.160 -29.510 44.824 1.00 0.00 C ATOM 0 H ILE A 77 12.290 -25.642 45.386 1.00 0.00 H new ATOM 0 HA ILE A 77 10.226 -26.211 47.422 1.00 0.00 H new ATOM 0 HB ILE A 77 12.160 -28.131 46.057 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.126 -28.033 45.961 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.168 -27.381 44.711 1.00 0.00 H new ATOM 0 HG21 ILE A 77 11.022 -29.881 47.364 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.835 -28.697 48.415 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.069 -28.632 48.200 1.00 0.00 H new ATOM 0 HD11 ILE A 77 9.350 -29.602 44.101 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.117 -29.624 44.314 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.058 -30.286 45.583 1.00 0.00 H new ATOM 1242 N VAL A 78 11.847 -25.971 49.267 1.00 0.00 N ATOM 1243 CA VAL A 78 12.776 -25.730 50.364 1.00 0.00 C ATOM 1244 C VAL A 78 12.532 -26.699 51.515 1.00 0.00 C ATOM 1245 O VAL A 78 11.392 -26.914 51.926 1.00 0.00 O ATOM 1246 CB VAL A 78 12.636 -24.284 50.876 1.00 0.00 C ATOM 1247 CG1 VAL A 78 13.567 -24.044 52.055 1.00 0.00 C ATOM 1248 CG2 VAL A 78 12.929 -23.306 49.749 1.00 0.00 C ATOM 0 H VAL A 78 10.863 -25.911 49.528 1.00 0.00 H new ATOM 0 HA VAL A 78 13.785 -25.886 49.983 1.00 0.00 H new ATOM 0 HB VAL A 78 11.613 -24.126 51.217 1.00 0.00 H new ATOM 0 HG11 VAL A 78 13.455 -23.017 52.404 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.316 -24.731 52.863 1.00 0.00 H new ATOM 0 HG13 VAL A 78 14.598 -24.211 51.744 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.828 -22.285 50.118 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.945 -23.462 49.387 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.224 -23.469 48.934 1.00 0.00 H new ATOM 1258 N GLU A 79 13.609 -27.280 52.031 1.00 0.00 N ATOM 1259 CA GLU A 79 13.518 -28.198 53.160 1.00 0.00 C ATOM 1260 C GLU A 79 13.675 -27.461 54.483 1.00 0.00 C ATOM 1261 O GLU A 79 14.445 -26.505 54.585 1.00 0.00 O ATOM 1262 CB GLU A 79 14.581 -29.292 53.045 1.00 0.00 C ATOM 1263 CG GLU A 79 14.428 -30.193 51.827 1.00 0.00 C ATOM 1264 CD GLU A 79 15.500 -31.243 51.738 1.00 0.00 C ATOM 1265 OE1 GLU A 79 16.367 -31.253 52.578 1.00 0.00 O ATOM 1266 OE2 GLU A 79 15.452 -32.036 50.827 1.00 0.00 O ATOM 0 H GLU A 79 14.557 -27.131 51.685 1.00 0.00 H new ATOM 0 HA GLU A 79 12.529 -28.656 53.138 1.00 0.00 H new ATOM 0 HB2 GLU A 79 15.565 -28.824 53.014 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.549 -29.908 53.944 1.00 0.00 H new ATOM 0 HG2 GLU A 79 13.453 -30.679 51.861 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.449 -29.582 50.924 1.00 0.00 H new ATOM 1273 N LYS A 80 12.941 -27.910 55.496 1.00 0.00 N ATOM 1274 CA LYS A 80 13.027 -27.318 56.826 1.00 0.00 C ATOM 1275 C LYS A 80 13.341 -28.372 57.879 1.00 0.00 C ATOM 1276 O LYS A 80 12.566 -29.305 58.088 1.00 0.00 O ATOM 1277 CB LYS A 80 11.724 -26.597 57.176 1.00 0.00 C ATOM 1278 CG LYS A 80 11.728 -25.916 58.538 1.00 0.00 C ATOM 1279 CD LYS A 80 10.411 -25.203 58.803 1.00 0.00 C ATOM 1280 CE LYS A 80 10.400 -24.552 60.178 1.00 0.00 C ATOM 1281 NZ LYS A 80 9.115 -23.854 60.454 1.00 0.00 N ATOM 0 H LYS A 80 12.279 -28.683 55.421 1.00 0.00 H new ATOM 0 HA LYS A 80 13.841 -26.593 56.816 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.520 -25.849 56.410 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.906 -27.316 57.145 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.906 -26.657 59.317 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.548 -25.200 58.586 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.246 -24.444 58.038 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.589 -25.915 58.729 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.571 -25.312 60.940 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.222 -23.840 60.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.150 -23.424 61.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.964 -23.111 59.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.333 -24.538 60.413 1.00 0.00 H new ATOM 1295 N GLY A 81 14.483 -28.218 58.540 1.00 0.00 N ATOM 1296 CA GLY A 81 14.929 -29.187 59.535 1.00 0.00 C ATOM 1297 C GLY A 81 13.959 -29.259 60.707 1.00 0.00 C ATOM 1298 O GLY A 81 13.427 -28.241 61.148 1.00 0.00 O ATOM 0 H GLY A 81 15.117 -27.431 58.405 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.020 -30.170 59.074 1.00 0.00 H new ATOM 0 HA3 GLY A 81 15.920 -28.912 59.896 1.00 0.00 H new ATOM 1302 N THR A 82 13.733 -30.469 61.208 1.00 0.00 N ATOM 1303 CA THR A 82 12.829 -30.676 62.333 1.00 0.00 C ATOM 1304 C THR A 82 13.233 -31.899 63.146 1.00 0.00 C ATOM 1305 O THR A 82 14.308 -32.464 62.944 1.00 0.00 O ATOM 1306 CB THR A 82 11.374 -30.830 61.854 1.00 0.00 C ATOM 1307 OG1 THR A 82 10.492 -30.815 62.984 1.00 0.00 O ATOM 1308 CG2 THR A 82 11.198 -32.137 61.095 1.00 0.00 C ATOM 0 H THR A 82 14.164 -31.322 60.852 1.00 0.00 H new ATOM 0 HA THR A 82 12.898 -29.794 62.969 1.00 0.00 H new ATOM 0 HB THR A 82 11.137 -30.000 61.188 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.566 -30.911 62.678 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.164 -32.229 60.764 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.859 -32.146 60.228 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.446 -32.973 61.749 1.00 0.00 H new ATOM 1316 N LYS A 83 12.364 -32.305 64.066 1.00 0.00 N ATOM 1317 CA LYS A 83 12.646 -33.438 64.939 1.00 0.00 C ATOM 1318 C LYS A 83 11.466 -34.401 64.990 1.00 0.00 C ATOM 1319 O LYS A 83 10.729 -34.442 65.975 1.00 0.00 O ATOM 1320 CB LYS A 83 12.993 -32.956 66.348 1.00 0.00 C ATOM 1321 CG LYS A 83 14.278 -32.143 66.436 1.00 0.00 C ATOM 1322 CD LYS A 83 14.544 -31.684 67.862 1.00 0.00 C ATOM 1323 CE LYS A 83 15.850 -30.909 67.960 1.00 0.00 C ATOM 1324 NZ LYS A 83 16.077 -30.372 69.329 1.00 0.00 N ATOM 0 H LYS A 83 11.458 -31.865 64.226 1.00 0.00 H new ATOM 0 HA LYS A 83 13.503 -33.971 64.527 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.168 -32.351 66.725 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.080 -33.822 67.004 1.00 0.00 H new ATOM 0 HG2 LYS A 83 15.116 -32.744 66.083 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.208 -31.276 65.779 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.720 -31.057 68.204 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.582 -32.549 68.524 1.00 0.00 H new ATOM 0 HE2 LYS A 83 16.680 -31.560 67.683 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.838 -30.086 67.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.977 -29.851 69.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.299 -29.731 69.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 16.114 -31.158 70.009 1.00 0.00 H new