USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 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 Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -177:sc= 1.68 (180deg=1.67) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -175:sc= 0 (180deg=-0.0486) USER MOD Single : A 35 CYS SG : rot 77:sc= 0.142 USER MOD Single : A 36 SER OG : rot 79:sc= 0.161 USER MOD Single : A 37 THR OG1 : rot 74:sc= 0.961 USER MOD Single : A 38 TYR OH : rot -87:sc= 0.272 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -44:sc= 1.29 USER MOD Single : A 50 SER OG : rot 120:sc= 1.29 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 9:sc= -0.382 USER MOD Single : A 69 LYS NZ :NH3+ 169:sc= 1.01 (180deg=0.776) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc=-0.00974 X(o=-0.0097,f=-0.058) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 82 MET CE :methyl -166:sc= -0.518 (180deg=-0.937) USER MOD Single : A 83 HIS : no HD1:sc= -0.0755 X(o=-0.075,f=-0.014) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.736 X(o=-0.74,f=-1.1) USER MOD Single : A 89 GLN : amide:sc= 2.17 K(o=2.2,f=-4.5!) USER MOD Single : A 91 ASN : amide:sc= -0.738 K(o=-0.74,f=-5.1!) USER MOD Single : A 98 ASN : amide:sc= 0.946 K(o=0.95,f=-0.33) USER MOD Single : A 99 SER OG : rot 180:sc= 0.0592 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot -79:sc= 0.218 USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 10 -7.401 4.877 9.247 1.00 61.22 N ATOM 116 CA ILE A 10 -6.051 4.601 8.807 1.00 54.30 C ATOM 117 C ILE A 10 -5.690 5.527 7.638 1.00 23.21 C ATOM 118 O ILE A 10 -6.532 5.856 6.801 1.00 11.21 O ATOM 119 CB ILE A 10 -5.990 3.098 8.468 1.00 71.24 C ATOM 120 CG1 ILE A 10 -6.078 2.254 9.760 1.00 4.04 C ATOM 121 CG2 ILE A 10 -4.700 2.806 7.709 1.00 0.44 C ATOM 122 CD1 ILE A 10 -6.272 0.749 9.517 1.00 41.13 C ATOM 0 HA ILE A 10 -5.305 4.805 9.575 1.00 54.30 H new ATOM 0 HB ILE A 10 -6.837 2.830 7.837 1.00 71.24 H new ATOM 0 HG12 ILE A 10 -5.167 2.403 10.340 1.00 4.04 H new ATOM 0 HG13 ILE A 10 -6.906 2.623 10.366 1.00 4.04 H new ATOM 0 HG21 ILE A 10 -4.653 1.744 7.467 1.00 0.44 H new ATOM 0 HG22 ILE A 10 -4.680 3.389 6.788 1.00 0.44 H new ATOM 0 HG23 ILE A 10 -3.844 3.076 8.328 1.00 0.44 H new ATOM 0 HD11 ILE A 10 -6.324 0.230 10.474 1.00 41.13 H new ATOM 0 HD12 ILE A 10 -7.198 0.586 8.965 1.00 41.13 H new ATOM 0 HD13 ILE A 10 -5.432 0.362 8.939 1.00 41.13 H new ATOM 134 N LYS A 11 -4.411 5.908 7.571 1.00 30.32 N ATOM 135 CA LYS A 11 -3.835 6.836 6.604 1.00 12.23 C ATOM 136 C LYS A 11 -2.530 6.295 6.020 1.00 13.24 C ATOM 137 O LYS A 11 -1.666 7.068 5.601 1.00 54.33 O ATOM 138 CB LYS A 11 -3.674 8.221 7.246 1.00 63.22 C ATOM 139 CG LYS A 11 -2.587 8.350 8.326 1.00 21.42 C ATOM 140 CD LYS A 11 -2.956 7.847 9.714 1.00 54.33 C ATOM 141 CE LYS A 11 -3.950 8.820 10.315 1.00 2.24 C ATOM 142 NZ LYS A 11 -4.008 8.665 11.772 1.00 53.33 N ATOM 0 H LYS A 11 -3.715 5.556 8.228 1.00 30.32 H new ATOM 0 HA LYS A 11 -4.516 6.942 5.760 1.00 12.23 H new ATOM 0 HB2 LYS A 11 -3.459 8.941 6.456 1.00 63.22 H new ATOM 0 HB3 LYS A 11 -4.629 8.507 7.686 1.00 63.22 H new ATOM 0 HG2 LYS A 11 -1.703 7.808 7.989 1.00 21.42 H new ATOM 0 HG3 LYS A 11 -2.306 9.400 8.406 1.00 21.42 H new ATOM 0 HD2 LYS A 11 -3.388 6.848 9.655 1.00 54.33 H new ATOM 0 HD3 LYS A 11 -2.068 7.773 10.341 1.00 54.33 H new ATOM 0 HE2 LYS A 11 -3.664 9.841 10.064 1.00 2.24 H new ATOM 0 HE3 LYS A 11 -4.938 8.650 9.886 1.00 2.24 H new ATOM 0 HZ1 LYS A 11 -4.694 9.340 12.166 1.00 53.33 H new ATOM 0 HZ2 LYS A 11 -4.302 7.695 12.007 1.00 53.33 H new ATOM 0 HZ3 LYS A 11 -3.069 8.850 12.178 1.00 53.33 H new ATOM 156 N GLU A 12 -2.357 4.979 6.002 1.00 12.11 N ATOM 157 CA GLU A 12 -1.195 4.307 5.444 1.00 1.24 C ATOM 158 C GLU A 12 -1.646 2.908 5.032 1.00 3.42 C ATOM 159 O GLU A 12 -2.479 2.319 5.706 1.00 33.50 O ATOM 160 CB GLU A 12 -0.128 4.253 6.552 1.00 63.20 C ATOM 161 CG GLU A 12 1.166 3.480 6.242 1.00 33.55 C ATOM 162 CD GLU A 12 2.075 3.361 7.479 1.00 52.05 C ATOM 163 OE1 GLU A 12 1.784 3.948 8.546 1.00 43.34 O ATOM 164 OE2 GLU A 12 3.133 2.687 7.421 1.00 75.41 O ATOM 0 H GLU A 12 -3.044 4.332 6.388 1.00 12.11 H new ATOM 0 HA GLU A 12 -0.777 4.816 4.576 1.00 1.24 H new ATOM 0 HB2 GLU A 12 0.143 5.277 6.811 1.00 63.20 H new ATOM 0 HB3 GLU A 12 -0.583 3.810 7.438 1.00 63.20 H new ATOM 0 HG2 GLU A 12 0.915 2.483 5.879 1.00 33.55 H new ATOM 0 HG3 GLU A 12 1.707 3.984 5.441 1.00 33.55 H new ATOM 171 N ILE A 13 -1.067 2.351 3.978 1.00 74.32 N ATOM 172 CA ILE A 13 -1.279 0.969 3.555 1.00 4.04 C ATOM 173 C ILE A 13 0.075 0.286 3.403 1.00 74.11 C ATOM 174 O ILE A 13 1.107 0.962 3.368 1.00 54.34 O ATOM 175 CB ILE A 13 -2.086 0.918 2.247 1.00 14.23 C ATOM 176 CG1 ILE A 13 -1.438 1.759 1.117 1.00 22.25 C ATOM 177 CG2 ILE A 13 -3.537 1.344 2.496 1.00 53.23 C ATOM 178 CD1 ILE A 13 -1.060 0.904 -0.086 1.00 51.11 C ATOM 0 H ILE A 13 -0.419 2.859 3.376 1.00 74.32 H new ATOM 0 HA ILE A 13 -1.860 0.438 4.309 1.00 4.04 H new ATOM 0 HB ILE A 13 -2.081 -0.116 1.903 1.00 14.23 H new ATOM 0 HG12 ILE A 13 -2.131 2.540 0.803 1.00 22.25 H new ATOM 0 HG13 ILE A 13 -0.548 2.258 1.501 1.00 22.25 H new ATOM 0 HG21 ILE A 13 -4.094 1.302 1.560 1.00 53.23 H new ATOM 0 HG22 ILE A 13 -3.995 0.671 3.221 1.00 53.23 H new ATOM 0 HG23 ILE A 13 -3.556 2.362 2.884 1.00 53.23 H new ATOM 0 HD11 ILE A 13 -0.610 1.534 -0.853 1.00 51.11 H new ATOM 0 HD12 ILE A 13 -0.346 0.140 0.221 1.00 51.11 H new ATOM 0 HD13 ILE A 13 -1.953 0.426 -0.488 1.00 51.11 H new ATOM 190 N ILE A 14 0.097 -1.044 3.299 1.00 24.22 N ATOM 191 CA ILE A 14 1.334 -1.800 3.176 1.00 74.40 C ATOM 192 C ILE A 14 1.102 -2.871 2.114 1.00 51.13 C ATOM 193 O ILE A 14 0.491 -3.902 2.378 1.00 13.22 O ATOM 194 CB ILE A 14 1.830 -2.334 4.547 1.00 64.11 C ATOM 195 CG1 ILE A 14 1.876 -1.202 5.609 1.00 4.42 C ATOM 196 CG2 ILE A 14 3.209 -2.996 4.350 1.00 44.14 C ATOM 197 CD1 ILE A 14 2.503 -1.529 6.966 1.00 35.24 C ATOM 0 H ILE A 14 -0.743 -1.622 3.298 1.00 24.22 H new ATOM 0 HA ILE A 14 2.157 -1.165 2.848 1.00 74.40 H new ATOM 0 HB ILE A 14 1.130 -3.079 4.925 1.00 64.11 H new ATOM 0 HG12 ILE A 14 2.422 -0.361 5.181 1.00 4.42 H new ATOM 0 HG13 ILE A 14 0.855 -0.863 5.784 1.00 4.42 H new ATOM 0 HG21 ILE A 14 3.570 -3.376 5.306 1.00 44.14 H new ATOM 0 HG22 ILE A 14 3.119 -3.820 3.642 1.00 44.14 H new ATOM 0 HG23 ILE A 14 3.914 -2.260 3.963 1.00 44.14 H new ATOM 0 HD11 ILE A 14 2.467 -0.647 7.606 1.00 35.24 H new ATOM 0 HD12 ILE A 14 1.949 -2.342 7.436 1.00 35.24 H new ATOM 0 HD13 ILE A 14 3.540 -1.832 6.824 1.00 35.24 H new ATOM 209 N ILE A 15 1.578 -2.632 0.893 1.00 55.25 N ATOM 210 CA ILE A 15 1.514 -3.626 -0.168 1.00 72.33 C ATOM 211 C ILE A 15 2.421 -4.784 0.257 1.00 5.24 C ATOM 212 O ILE A 15 3.643 -4.611 0.381 1.00 32.50 O ATOM 213 CB ILE A 15 1.932 -3.034 -1.530 1.00 42.41 C ATOM 214 CG1 ILE A 15 1.259 -1.696 -1.896 1.00 55.51 C ATOM 215 CG2 ILE A 15 1.697 -4.066 -2.649 1.00 15.14 C ATOM 216 CD1 ILE A 15 -0.270 -1.701 -1.994 1.00 13.24 C ATOM 0 H ILE A 15 2.014 -1.752 0.617 1.00 55.25 H new ATOM 0 HA ILE A 15 0.491 -3.976 -0.308 1.00 72.33 H new ATOM 0 HB ILE A 15 2.993 -2.805 -1.430 1.00 42.41 H new ATOM 0 HG12 ILE A 15 1.550 -0.954 -1.153 1.00 55.51 H new ATOM 0 HG13 ILE A 15 1.661 -1.363 -2.853 1.00 55.51 H new ATOM 0 HG21 ILE A 15 1.995 -3.639 -3.606 1.00 15.14 H new ATOM 0 HG22 ILE A 15 2.289 -4.959 -2.450 1.00 15.14 H new ATOM 0 HG23 ILE A 15 0.640 -4.331 -2.683 1.00 15.14 H new ATOM 0 HD11 ILE A 15 -0.621 -0.703 -2.257 1.00 13.24 H new ATOM 0 HD12 ILE A 15 -0.583 -2.410 -2.761 1.00 13.24 H new ATOM 0 HD13 ILE A 15 -0.695 -1.994 -1.034 1.00 13.24 H new ATOM 228 N GLN A 16 1.851 -5.962 0.514 1.00 31.32 N ATOM 229 CA GLN A 16 2.642 -7.145 0.800 1.00 50.34 C ATOM 230 C GLN A 16 3.380 -7.577 -0.479 1.00 40.30 C ATOM 231 O GLN A 16 3.035 -7.175 -1.589 1.00 33.45 O ATOM 232 CB GLN A 16 1.755 -8.255 1.392 1.00 52.55 C ATOM 233 CG GLN A 16 2.485 -9.035 2.487 1.00 42.00 C ATOM 234 CD GLN A 16 1.689 -10.226 3.014 1.00 73.43 C ATOM 235 OE1 GLN A 16 1.059 -10.943 2.253 1.00 75.24 O ATOM 236 NE2 GLN A 16 1.756 -10.495 4.306 1.00 61.20 N ATOM 0 H GLN A 16 0.843 -6.116 0.528 1.00 31.32 H new ATOM 0 HA GLN A 16 3.396 -6.925 1.556 1.00 50.34 H new ATOM 0 HB2 GLN A 16 0.846 -7.815 1.802 1.00 52.55 H new ATOM 0 HB3 GLN A 16 1.449 -8.938 0.600 1.00 52.55 H new ATOM 0 HG2 GLN A 16 3.439 -9.389 2.097 1.00 42.00 H new ATOM 0 HG3 GLN A 16 2.709 -8.362 3.315 1.00 42.00 H new ATOM 0 HE21 GLN A 16 2.287 -9.885 4.927 1.00 61.20 H new ATOM 0 HE22 GLN A 16 1.277 -11.313 4.682 1.00 61.20 H new ATOM 245 N GLY A 17 4.424 -8.398 -0.340 1.00 51.52 N ATOM 246 CA GLY A 17 5.165 -8.977 -1.469 1.00 72.44 C ATOM 247 C GLY A 17 4.925 -10.477 -1.630 1.00 65.31 C ATOM 248 O GLY A 17 5.772 -11.177 -2.192 1.00 0.25 O ATOM 0 H GLY A 17 4.785 -8.684 0.570 1.00 51.52 H new ATOM 0 HA2 GLY A 17 4.875 -8.467 -2.388 1.00 72.44 H new ATOM 0 HA3 GLY A 17 6.231 -8.798 -1.328 1.00 72.44 H new ATOM 252 N LEU A 18 3.810 -10.962 -1.086 1.00 72.53 N ATOM 253 CA LEU A 18 3.267 -12.302 -1.250 1.00 51.04 C ATOM 254 C LEU A 18 2.032 -12.183 -2.135 1.00 54.12 C ATOM 255 O LEU A 18 1.335 -11.166 -2.073 1.00 42.42 O ATOM 256 CB LEU A 18 2.853 -12.839 0.130 1.00 55.23 C ATOM 257 CG LEU A 18 3.679 -14.036 0.609 1.00 4.15 C ATOM 258 CD1 LEU A 18 5.173 -13.728 0.789 1.00 51.31 C ATOM 259 CD2 LEU A 18 3.118 -14.432 1.971 1.00 74.43 C ATOM 0 H LEU A 18 3.226 -10.387 -0.479 1.00 72.53 H new ATOM 0 HA LEU A 18 3.999 -12.976 -1.695 1.00 51.04 H new ATOM 0 HB2 LEU A 18 2.940 -12.036 0.861 1.00 55.23 H new ATOM 0 HB3 LEU A 18 1.802 -13.127 0.096 1.00 55.23 H new ATOM 0 HG LEU A 18 3.608 -14.819 -0.146 1.00 4.15 H new ATOM 0 HD11 LEU A 18 5.691 -14.625 1.130 1.00 51.31 H new ATOM 0 HD12 LEU A 18 5.595 -13.405 -0.163 1.00 51.31 H new ATOM 0 HD13 LEU A 18 5.295 -12.936 1.528 1.00 51.31 H new ATOM 0 HD21 LEU A 18 3.674 -15.285 2.359 1.00 74.43 H new ATOM 0 HD22 LEU A 18 3.212 -13.593 2.661 1.00 74.43 H new ATOM 0 HD23 LEU A 18 2.067 -14.701 1.867 1.00 74.43 H new ATOM 271 N THR A 19 1.766 -13.205 -2.943 1.00 13.41 N ATOM 272 CA THR A 19 0.565 -13.311 -3.758 1.00 43.12 C ATOM 273 C THR A 19 -0.608 -13.787 -2.894 1.00 51.11 C ATOM 274 O THR A 19 -0.396 -14.403 -1.850 1.00 24.25 O ATOM 275 CB THR A 19 0.816 -14.265 -4.942 1.00 21.32 C ATOM 276 OG1 THR A 19 0.945 -15.613 -4.528 1.00 22.01 O ATOM 277 CG2 THR A 19 2.071 -13.912 -5.750 1.00 44.24 C ATOM 0 H THR A 19 2.396 -14.000 -3.050 1.00 13.41 H new ATOM 0 HA THR A 19 0.310 -12.332 -4.164 1.00 43.12 H new ATOM 0 HB THR A 19 -0.065 -14.144 -5.572 1.00 21.32 H new ATOM 0 HG1 THR A 19 1.101 -16.182 -5.310 1.00 22.01 H new ATOM 0 HG21 THR A 19 2.189 -14.623 -6.568 1.00 44.24 H new ATOM 0 HG22 THR A 19 1.971 -12.905 -6.155 1.00 44.24 H new ATOM 0 HG23 THR A 19 2.946 -13.957 -5.101 1.00 44.24 H new ATOM 285 N ARG A 20 -1.843 -13.617 -3.379 1.00 52.05 N ATOM 286 CA ARG A 20 -3.074 -14.118 -2.755 1.00 20.32 C ATOM 287 C ARG A 20 -3.135 -15.636 -2.576 1.00 40.30 C ATOM 288 O ARG A 20 -3.995 -16.158 -1.868 1.00 15.03 O ATOM 289 CB ARG A 20 -4.286 -13.654 -3.550 1.00 54.24 C ATOM 290 CG ARG A 20 -4.360 -14.218 -4.976 1.00 21.34 C ATOM 291 CD ARG A 20 -5.462 -13.496 -5.738 1.00 31.21 C ATOM 292 NE ARG A 20 -6.818 -13.829 -5.272 1.00 54.42 N ATOM 293 CZ ARG A 20 -7.922 -13.268 -5.784 1.00 13.04 C ATOM 294 NH1 ARG A 20 -7.850 -12.457 -6.826 1.00 4.11 N ATOM 295 NH2 ARG A 20 -9.108 -13.526 -5.262 1.00 44.35 N ATOM 0 H ARG A 20 -2.020 -13.110 -4.246 1.00 52.05 H new ATOM 0 HA ARG A 20 -3.077 -13.699 -1.749 1.00 20.32 H new ATOM 0 HB2 ARG A 20 -5.190 -13.939 -3.012 1.00 54.24 H new ATOM 0 HB3 ARG A 20 -4.276 -12.565 -3.602 1.00 54.24 H new ATOM 0 HG2 ARG A 20 -3.404 -14.087 -5.483 1.00 21.34 H new ATOM 0 HG3 ARG A 20 -4.561 -15.289 -4.947 1.00 21.34 H new ATOM 0 HD2 ARG A 20 -5.310 -12.420 -5.647 1.00 31.21 H new ATOM 0 HD3 ARG A 20 -5.381 -13.741 -6.797 1.00 31.21 H new ATOM 0 HE ARG A 20 -6.922 -14.517 -4.526 1.00 54.42 H new ATOM 0 HH11 ARG A 20 -6.946 -12.251 -7.251 1.00 4.11 H new ATOM 0 HH12 ARG A 20 -8.699 -12.037 -7.205 1.00 4.11 H new ATOM 0 HH21 ARG A 20 -9.188 -14.156 -4.464 1.00 44.35 H new ATOM 0 HH22 ARG A 20 -9.944 -13.095 -5.657 1.00 44.35 H new ATOM 309 N ALA A 21 -2.274 -16.366 -3.277 1.00 3.54 N ATOM 310 CA ALA A 21 -2.082 -17.801 -3.102 1.00 4.01 C ATOM 311 C ALA A 21 -1.210 -18.129 -1.880 1.00 55.42 C ATOM 312 O ALA A 21 -1.003 -19.308 -1.586 1.00 13.31 O ATOM 313 CB ALA A 21 -1.462 -18.391 -4.373 1.00 12.03 C ATOM 0 H ALA A 21 -1.676 -15.966 -4.000 1.00 3.54 H new ATOM 0 HA ALA A 21 -3.059 -18.249 -2.923 1.00 4.01 H new ATOM 0 HB1 ALA A 21 -1.318 -19.464 -4.243 1.00 12.03 H new ATOM 0 HB2 ALA A 21 -2.127 -18.214 -5.218 1.00 12.03 H new ATOM 0 HB3 ALA A 21 -0.499 -17.916 -4.563 1.00 12.03 H new ATOM 319 N GLY A 22 -0.659 -17.124 -1.193 1.00 33.32 N ATOM 320 CA GLY A 22 0.324 -17.305 -0.141 1.00 21.01 C ATOM 321 C GLY A 22 1.598 -17.925 -0.704 1.00 74.03 C ATOM 322 O GLY A 22 2.055 -18.958 -0.205 1.00 60.13 O ATOM 0 H GLY A 22 -0.894 -16.146 -1.362 1.00 33.32 H new ATOM 0 HA2 GLY A 22 0.553 -16.344 0.321 1.00 21.01 H new ATOM 0 HA3 GLY A 22 -0.085 -17.945 0.641 1.00 21.01 H new ATOM 326 N LYS A 23 2.147 -17.350 -1.778 1.00 51.41 N ATOM 327 CA LYS A 23 3.487 -17.663 -2.261 1.00 21.33 C ATOM 328 C LYS A 23 4.257 -16.364 -2.493 1.00 15.44 C ATOM 329 O LYS A 23 3.633 -15.331 -2.750 1.00 2.35 O ATOM 330 CB LYS A 23 3.417 -18.531 -3.526 1.00 23.42 C ATOM 331 CG LYS A 23 3.227 -20.018 -3.168 1.00 11.23 C ATOM 332 CD LYS A 23 1.768 -20.476 -3.287 1.00 1.02 C ATOM 333 CE LYS A 23 1.501 -21.714 -2.419 1.00 1.02 C ATOM 334 NZ LYS A 23 0.907 -21.372 -1.107 1.00 5.13 N ATOM 0 H LYS A 23 1.665 -16.648 -2.339 1.00 51.41 H new ATOM 0 HA LYS A 23 4.023 -18.245 -1.511 1.00 21.33 H new ATOM 0 HB2 LYS A 23 2.592 -18.197 -4.155 1.00 23.42 H new ATOM 0 HB3 LYS A 23 4.331 -18.407 -4.107 1.00 23.42 H new ATOM 0 HG2 LYS A 23 3.849 -20.627 -3.824 1.00 11.23 H new ATOM 0 HG3 LYS A 23 3.575 -20.189 -2.149 1.00 11.23 H new ATOM 0 HD2 LYS A 23 1.104 -19.666 -2.984 1.00 1.02 H new ATOM 0 HD3 LYS A 23 1.539 -20.703 -4.328 1.00 1.02 H new ATOM 0 HE2 LYS A 23 0.831 -22.389 -2.952 1.00 1.02 H new ATOM 0 HE3 LYS A 23 2.436 -22.251 -2.261 1.00 1.02 H new ATOM 0 HZ1 LYS A 23 0.794 -22.237 -0.541 1.00 5.13 H new ATOM 0 HZ2 LYS A 23 1.532 -20.709 -0.605 1.00 5.13 H new ATOM 0 HZ3 LYS A 23 -0.023 -20.929 -1.252 1.00 5.13 H new ATOM 348 N PRO A 24 5.598 -16.372 -2.435 1.00 32.25 N ATOM 349 CA PRO A 24 6.387 -15.171 -2.660 1.00 21.42 C ATOM 350 C PRO A 24 6.349 -14.759 -4.136 1.00 2.04 C ATOM 351 O PRO A 24 6.111 -15.577 -5.035 1.00 42.44 O ATOM 352 CB PRO A 24 7.799 -15.524 -2.183 1.00 62.40 C ATOM 353 CG PRO A 24 7.877 -17.035 -2.406 1.00 2.40 C ATOM 354 CD PRO A 24 6.456 -17.503 -2.111 1.00 13.42 C ATOM 0 HA PRO A 24 5.999 -14.310 -2.117 1.00 21.42 H new ATOM 0 HB2 PRO A 24 8.561 -14.993 -2.754 1.00 62.40 H new ATOM 0 HB3 PRO A 24 7.947 -15.264 -1.135 1.00 62.40 H new ATOM 0 HG2 PRO A 24 8.177 -17.277 -3.426 1.00 2.40 H new ATOM 0 HG3 PRO A 24 8.602 -17.504 -1.740 1.00 2.40 H new ATOM 0 HD2 PRO A 24 6.198 -18.376 -2.711 1.00 13.42 H new ATOM 0 HD3 PRO A 24 6.347 -17.791 -1.065 1.00 13.42 H new ATOM 362 N PHE A 25 6.621 -13.478 -4.384 1.00 12.11 N ATOM 363 CA PHE A 25 6.677 -12.863 -5.709 1.00 4.52 C ATOM 364 C PHE A 25 8.139 -12.743 -6.197 1.00 32.25 C ATOM 365 O PHE A 25 9.067 -12.972 -5.411 1.00 53.20 O ATOM 366 CB PHE A 25 5.969 -11.503 -5.593 1.00 1.42 C ATOM 367 CG PHE A 25 5.751 -10.768 -6.896 1.00 21.22 C ATOM 368 CD1 PHE A 25 5.127 -11.418 -7.980 1.00 32.44 C ATOM 369 CD2 PHE A 25 6.174 -9.431 -7.023 1.00 11.33 C ATOM 370 CE1 PHE A 25 4.976 -10.747 -9.202 1.00 52.42 C ATOM 371 CE2 PHE A 25 6.002 -8.755 -8.240 1.00 10.24 C ATOM 372 CZ PHE A 25 5.415 -9.419 -9.326 1.00 40.34 C ATOM 0 H PHE A 25 6.816 -12.813 -3.636 1.00 12.11 H new ATOM 0 HA PHE A 25 6.174 -13.473 -6.459 1.00 4.52 H new ATOM 0 HB2 PHE A 25 5.001 -11.657 -5.117 1.00 1.42 H new ATOM 0 HB3 PHE A 25 6.553 -10.865 -4.930 1.00 1.42 H new ATOM 0 HD1 PHE A 25 4.766 -12.430 -7.870 1.00 32.44 H new ATOM 0 HD2 PHE A 25 6.630 -8.926 -6.184 1.00 11.33 H new ATOM 0 HE1 PHE A 25 4.524 -11.250 -10.044 1.00 52.42 H new ATOM 0 HE2 PHE A 25 6.320 -7.728 -8.340 1.00 10.24 H new ATOM 0 HZ PHE A 25 5.299 -8.904 -10.268 1.00 40.34 H new ATOM 382 N ARG A 26 8.372 -12.380 -7.468 1.00 54.32 N ATOM 383 CA ARG A 26 9.671 -11.917 -7.976 1.00 12.25 C ATOM 384 C ARG A 26 9.423 -10.662 -8.835 1.00 42.52 C ATOM 385 O ARG A 26 8.341 -10.533 -9.406 1.00 60.24 O ATOM 386 CB ARG A 26 10.431 -12.975 -8.811 1.00 42.31 C ATOM 387 CG ARG A 26 11.232 -14.027 -8.017 1.00 72.02 C ATOM 388 CD ARG A 26 12.648 -13.600 -7.581 1.00 15.42 C ATOM 389 NE ARG A 26 13.582 -13.485 -8.718 1.00 54.03 N ATOM 390 CZ ARG A 26 14.923 -13.429 -8.678 1.00 61.13 C ATOM 391 NH1 ARG A 26 15.602 -13.373 -7.534 1.00 10.41 N ATOM 392 NH2 ARG A 26 15.585 -13.439 -9.826 1.00 23.32 N ATOM 0 H ARG A 26 7.647 -12.401 -8.185 1.00 54.32 H new ATOM 0 HA ARG A 26 10.305 -11.706 -7.115 1.00 12.25 H new ATOM 0 HB2 ARG A 26 9.710 -13.497 -9.439 1.00 42.31 H new ATOM 0 HB3 ARG A 26 11.118 -12.455 -9.479 1.00 42.31 H new ATOM 0 HG2 ARG A 26 10.663 -14.294 -7.127 1.00 72.02 H new ATOM 0 HG3 ARG A 26 11.315 -14.928 -8.625 1.00 72.02 H new ATOM 0 HD2 ARG A 26 12.591 -12.642 -7.064 1.00 15.42 H new ATOM 0 HD3 ARG A 26 13.038 -14.325 -6.867 1.00 15.42 H new ATOM 0 HE ARG A 26 13.158 -13.443 -9.645 1.00 54.03 H new ATOM 0 HH11 ARG A 26 15.103 -13.372 -6.644 1.00 10.41 H new ATOM 0 HH12 ARG A 26 16.621 -13.332 -7.547 1.00 10.41 H new ATOM 0 HH21 ARG A 26 15.075 -13.488 -10.708 1.00 23.32 H new ATOM 0 HH22 ARG A 26 16.604 -13.397 -9.827 1.00 23.32 H new ATOM 406 N PRO A 27 10.418 -9.773 -8.995 1.00 71.03 N ATOM 407 CA PRO A 27 11.701 -9.862 -8.329 1.00 52.52 C ATOM 408 C PRO A 27 11.523 -9.693 -6.826 1.00 32.00 C ATOM 409 O PRO A 27 10.601 -9.027 -6.362 1.00 41.32 O ATOM 410 CB PRO A 27 12.544 -8.721 -8.889 1.00 42.54 C ATOM 411 CG PRO A 27 11.521 -7.698 -9.377 1.00 32.40 C ATOM 412 CD PRO A 27 10.334 -8.563 -9.796 1.00 63.34 C ATOM 0 HA PRO A 27 12.174 -10.830 -8.497 1.00 52.52 H new ATOM 0 HB2 PRO A 27 13.197 -8.297 -8.126 1.00 42.54 H new ATOM 0 HB3 PRO A 27 13.184 -9.062 -9.703 1.00 42.54 H new ATOM 0 HG2 PRO A 27 11.249 -6.994 -8.590 1.00 32.40 H new ATOM 0 HG3 PRO A 27 11.905 -7.111 -10.211 1.00 32.40 H new ATOM 0 HD2 PRO A 27 9.392 -8.044 -9.621 1.00 63.34 H new ATOM 0 HD3 PRO A 27 10.377 -8.796 -10.860 1.00 63.34 H new ATOM 420 N SER A 28 12.405 -10.297 -6.042 1.00 13.04 N ATOM 421 CA SER A 28 12.335 -10.157 -4.598 1.00 51.12 C ATOM 422 C SER A 28 12.662 -8.718 -4.177 1.00 21.42 C ATOM 423 O SER A 28 12.248 -8.274 -3.106 1.00 44.53 O ATOM 424 CB SER A 28 13.302 -11.146 -3.971 1.00 52.14 C ATOM 425 OG SER A 28 12.913 -12.483 -4.280 1.00 63.34 O ATOM 0 H SER A 28 13.169 -10.883 -6.379 1.00 13.04 H new ATOM 0 HA SER A 28 11.324 -10.371 -4.252 1.00 51.12 H new ATOM 0 HB2 SER A 28 14.312 -10.960 -4.337 1.00 52.14 H new ATOM 0 HB3 SER A 28 13.325 -11.007 -2.890 1.00 52.14 H new ATOM 0 HG SER A 28 13.545 -13.110 -3.871 1.00 63.34 H new ATOM 431 N ASP A 29 13.341 -7.987 -5.057 1.00 32.43 N ATOM 432 CA ASP A 29 13.794 -6.615 -4.896 1.00 1.04 C ATOM 433 C ASP A 29 12.742 -5.607 -5.387 1.00 2.02 C ATOM 434 O ASP A 29 13.017 -4.408 -5.424 1.00 1.01 O ATOM 435 CB ASP A 29 15.143 -6.480 -5.625 1.00 61.43 C ATOM 436 CG ASP A 29 16.223 -7.388 -5.018 1.00 3.31 C ATOM 437 OD1 ASP A 29 16.292 -7.488 -3.769 1.00 43.30 O ATOM 438 OD2 ASP A 29 16.911 -8.120 -5.768 1.00 71.24 O ATOM 0 H ASP A 29 13.606 -8.369 -5.965 1.00 32.43 H new ATOM 0 HA ASP A 29 13.934 -6.381 -3.841 1.00 1.04 H new ATOM 0 HB2 ASP A 29 15.012 -6.728 -6.678 1.00 61.43 H new ATOM 0 HB3 ASP A 29 15.476 -5.443 -5.581 1.00 61.43 H new ATOM 443 N TRP A 30 11.523 -6.058 -5.739 1.00 23.20 N ATOM 444 CA TRP A 30 10.464 -5.215 -6.307 1.00 74.31 C ATOM 445 C TRP A 30 10.170 -3.968 -5.468 1.00 52.14 C ATOM 446 O TRP A 30 9.817 -2.929 -6.016 1.00 42.34 O ATOM 447 CB TRP A 30 9.159 -6.010 -6.488 1.00 24.14 C ATOM 448 CG TRP A 30 8.398 -6.302 -5.221 1.00 70.43 C ATOM 449 CD1 TRP A 30 8.484 -7.425 -4.478 1.00 61.12 C ATOM 450 CD2 TRP A 30 7.421 -5.461 -4.534 1.00 23.03 C ATOM 451 NE1 TRP A 30 7.678 -7.319 -3.364 1.00 13.33 N ATOM 452 CE2 TRP A 30 7.004 -6.119 -3.339 1.00 23.22 C ATOM 453 CE3 TRP A 30 6.830 -4.213 -4.811 1.00 11.31 C ATOM 454 CZ2 TRP A 30 6.043 -5.572 -2.472 1.00 63.44 C ATOM 455 CZ3 TRP A 30 5.827 -3.681 -3.983 1.00 1.40 C ATOM 456 CH2 TRP A 30 5.419 -4.370 -2.833 1.00 24.32 C ATOM 0 H TRP A 30 11.246 -7.034 -5.633 1.00 23.20 H new ATOM 0 HA TRP A 30 10.842 -4.887 -7.275 1.00 74.31 H new ATOM 0 HB2 TRP A 30 8.507 -5.456 -7.164 1.00 24.14 H new ATOM 0 HB3 TRP A 30 9.395 -6.956 -6.976 1.00 24.14 H new ATOM 0 HD1 TRP A 30 9.095 -8.282 -4.720 1.00 61.12 H new ATOM 0 HE1 TRP A 30 7.592 -8.040 -2.648 1.00 13.33 H new ATOM 0 HE3 TRP A 30 7.154 -3.654 -5.676 1.00 11.31 H new ATOM 0 HZ2 TRP A 30 5.790 -6.068 -1.546 1.00 63.44 H new ATOM 0 HZ3 TRP A 30 5.368 -2.736 -4.234 1.00 1.40 H new ATOM 0 HH2 TRP A 30 4.621 -3.973 -2.223 1.00 24.32 H new ATOM 467 N VAL A 31 10.309 -4.069 -4.145 1.00 75.00 N ATOM 468 CA VAL A 31 10.041 -2.985 -3.213 1.00 2.21 C ATOM 469 C VAL A 31 10.896 -1.778 -3.590 1.00 30.32 C ATOM 470 O VAL A 31 10.385 -0.665 -3.688 1.00 22.31 O ATOM 471 CB VAL A 31 10.324 -3.477 -1.779 1.00 54.30 C ATOM 472 CG1 VAL A 31 10.190 -2.371 -0.729 1.00 52.13 C ATOM 473 CG2 VAL A 31 9.367 -4.620 -1.406 1.00 51.35 C ATOM 0 H VAL A 31 10.618 -4.927 -3.687 1.00 75.00 H new ATOM 0 HA VAL A 31 8.996 -2.677 -3.260 1.00 2.21 H new ATOM 0 HB VAL A 31 11.358 -3.821 -1.778 1.00 54.30 H new ATOM 0 HG11 VAL A 31 10.401 -2.780 0.259 1.00 52.13 H new ATOM 0 HG12 VAL A 31 10.898 -1.572 -0.950 1.00 52.13 H new ATOM 0 HG13 VAL A 31 9.176 -1.973 -0.748 1.00 52.13 H new ATOM 0 HG21 VAL A 31 9.580 -4.956 -0.391 1.00 51.35 H new ATOM 0 HG22 VAL A 31 8.338 -4.266 -1.463 1.00 51.35 H new ATOM 0 HG23 VAL A 31 9.504 -5.450 -2.099 1.00 51.35 H new ATOM 483 N ASP A 32 12.190 -2.005 -3.831 1.00 35.33 N ATOM 484 CA ASP A 32 13.135 -0.921 -4.047 1.00 34.44 C ATOM 485 C ASP A 32 12.886 -0.226 -5.379 1.00 31.31 C ATOM 486 O ASP A 32 13.170 0.962 -5.501 1.00 30.40 O ATOM 487 CB ASP A 32 14.557 -1.460 -4.034 1.00 23.24 C ATOM 488 CG ASP A 32 15.557 -0.306 -4.058 1.00 21.44 C ATOM 489 OD1 ASP A 32 15.739 0.343 -3.002 1.00 61.22 O ATOM 490 OD2 ASP A 32 16.193 -0.083 -5.112 1.00 12.15 O ATOM 0 H ASP A 32 12.603 -2.936 -3.880 1.00 35.33 H new ATOM 0 HA ASP A 32 12.998 -0.199 -3.242 1.00 34.44 H new ATOM 0 HB2 ASP A 32 14.715 -2.069 -3.144 1.00 23.24 H new ATOM 0 HB3 ASP A 32 14.716 -2.107 -4.896 1.00 23.24 H new ATOM 495 N ARG A 33 12.320 -0.950 -6.362 1.00 43.23 N ATOM 496 CA ARG A 33 11.833 -0.326 -7.594 1.00 12.20 C ATOM 497 C ARG A 33 10.887 0.807 -7.219 1.00 41.22 C ATOM 498 O ARG A 33 11.151 1.967 -7.520 1.00 22.15 O ATOM 499 CB ARG A 33 11.095 -1.305 -8.531 1.00 42.01 C ATOM 500 CG ARG A 33 11.901 -2.492 -9.071 1.00 53.32 C ATOM 501 CD ARG A 33 11.228 -2.997 -10.362 1.00 64.21 C ATOM 502 NE ARG A 33 11.988 -4.054 -11.046 1.00 73.11 N ATOM 503 CZ ARG A 33 13.188 -3.920 -11.627 1.00 70.13 C ATOM 504 NH1 ARG A 33 13.851 -2.768 -11.616 1.00 25.44 N ATOM 505 NH2 ARG A 33 13.749 -4.963 -12.222 1.00 11.34 N ATOM 0 H ARG A 33 12.192 -1.961 -6.323 1.00 43.23 H new ATOM 0 HA ARG A 33 12.705 0.034 -8.140 1.00 12.20 H new ATOM 0 HB2 ARG A 33 10.230 -1.698 -7.997 1.00 42.01 H new ATOM 0 HB3 ARG A 33 10.715 -0.739 -9.381 1.00 42.01 H new ATOM 0 HG2 ARG A 33 12.929 -2.191 -9.273 1.00 53.32 H new ATOM 0 HG3 ARG A 33 11.943 -3.290 -8.329 1.00 53.32 H new ATOM 0 HD2 ARG A 33 10.234 -3.374 -10.121 1.00 64.21 H new ATOM 0 HD3 ARG A 33 11.094 -2.158 -11.044 1.00 64.21 H new ATOM 0 HE ARG A 33 11.560 -4.979 -11.082 1.00 73.11 H new ATOM 0 HH11 ARG A 33 13.448 -1.952 -11.156 1.00 25.44 H new ATOM 0 HH12 ARG A 33 14.763 -2.700 -12.068 1.00 25.44 H new ATOM 0 HH21 ARG A 33 13.267 -5.862 -12.236 1.00 11.34 H new ATOM 0 HH22 ARG A 33 14.662 -4.867 -12.666 1.00 11.34 H new ATOM 519 N MET A 34 9.791 0.460 -6.545 1.00 75.25 N ATOM 520 CA MET A 34 8.731 1.407 -6.238 1.00 20.14 C ATOM 521 C MET A 34 9.272 2.539 -5.368 1.00 21.31 C ATOM 522 O MET A 34 8.894 3.689 -5.572 1.00 55.33 O ATOM 523 CB MET A 34 7.579 0.722 -5.500 1.00 31.45 C ATOM 524 CG MET A 34 7.041 -0.564 -6.135 1.00 35.35 C ATOM 525 SD MET A 34 6.561 -0.443 -7.877 1.00 50.51 S ATOM 526 CE MET A 34 4.800 -0.075 -7.668 1.00 62.12 C ATOM 0 H MET A 34 9.617 -0.484 -6.199 1.00 75.25 H new ATOM 0 HA MET A 34 8.360 1.808 -7.181 1.00 20.14 H new ATOM 0 HB2 MET A 34 7.909 0.492 -4.487 1.00 31.45 H new ATOM 0 HB3 MET A 34 6.757 1.432 -5.414 1.00 31.45 H new ATOM 0 HG2 MET A 34 7.802 -1.339 -6.040 1.00 35.35 H new ATOM 0 HG3 MET A 34 6.175 -0.895 -5.561 1.00 35.35 H new ATOM 0 HE1 MET A 34 4.315 -0.053 -8.644 1.00 62.12 H new ATOM 0 HE2 MET A 34 4.338 -0.845 -7.050 1.00 62.12 H new ATOM 0 HE3 MET A 34 4.686 0.895 -7.184 1.00 62.12 H new ATOM 536 N CYS A 35 10.157 2.222 -4.414 1.00 31.22 N ATOM 537 CA CYS A 35 10.812 3.210 -3.574 1.00 31.15 C ATOM 538 C CYS A 35 11.458 4.297 -4.432 1.00 63.21 C ATOM 539 O CYS A 35 11.138 5.477 -4.260 1.00 61.33 O ATOM 540 CB CYS A 35 11.840 2.532 -2.657 1.00 71.35 C ATOM 541 SG CYS A 35 10.993 1.609 -1.347 1.00 43.42 S ATOM 0 H CYS A 35 10.435 1.262 -4.209 1.00 31.22 H new ATOM 0 HA CYS A 35 10.064 3.688 -2.942 1.00 31.15 H new ATOM 0 HB2 CYS A 35 12.469 1.858 -3.239 1.00 71.35 H new ATOM 0 HB3 CYS A 35 12.497 3.282 -2.217 1.00 71.35 H new ATOM 0 HG CYS A 35 10.520 0.500 -1.834 1.00 43.42 H new ATOM 547 N SER A 36 12.340 3.907 -5.354 1.00 21.22 N ATOM 548 CA SER A 36 13.037 4.830 -6.233 1.00 33.33 C ATOM 549 C SER A 36 12.099 5.563 -7.198 1.00 63.13 C ATOM 550 O SER A 36 12.309 6.743 -7.454 1.00 12.02 O ATOM 551 CB SER A 36 14.089 4.075 -7.019 1.00 41.30 C ATOM 552 OG SER A 36 15.010 3.397 -6.185 1.00 1.51 O ATOM 0 H SER A 36 12.589 2.930 -5.508 1.00 21.22 H new ATOM 0 HA SER A 36 13.498 5.590 -5.603 1.00 33.33 H new ATOM 0 HB2 SER A 36 13.600 3.355 -7.675 1.00 41.30 H new ATOM 0 HB3 SER A 36 14.629 4.773 -7.659 1.00 41.30 H new ATOM 0 HG SER A 36 14.603 2.570 -5.853 1.00 1.51 H new ATOM 558 N THR A 37 11.054 4.904 -7.702 1.00 55.22 N ATOM 559 CA THR A 37 10.086 5.461 -8.649 1.00 74.11 C ATOM 560 C THR A 37 9.306 6.657 -8.064 1.00 24.30 C ATOM 561 O THR A 37 8.628 7.380 -8.801 1.00 53.30 O ATOM 562 CB THR A 37 9.148 4.314 -9.074 1.00 54.40 C ATOM 563 OG1 THR A 37 9.854 3.252 -9.681 1.00 42.44 O ATOM 564 CG2 THR A 37 8.067 4.714 -10.070 1.00 12.41 C ATOM 0 H THR A 37 10.851 3.936 -7.454 1.00 55.22 H new ATOM 0 HA THR A 37 10.609 5.865 -9.516 1.00 74.11 H new ATOM 0 HB THR A 37 8.684 4.017 -8.133 1.00 54.40 H new ATOM 0 HG1 THR A 37 10.340 2.748 -8.995 1.00 42.44 H new ATOM 0 HG21 THR A 37 7.455 3.845 -10.312 1.00 12.41 H new ATOM 0 HG22 THR A 37 7.439 5.490 -9.633 1.00 12.41 H new ATOM 0 HG23 THR A 37 8.533 5.094 -10.979 1.00 12.41 H new ATOM 572 N TYR A 38 9.400 6.891 -6.754 1.00 31.02 N ATOM 573 CA TYR A 38 8.824 8.035 -6.066 1.00 24.15 C ATOM 574 C TYR A 38 9.904 8.657 -5.186 1.00 12.43 C ATOM 575 O TYR A 38 9.679 8.925 -4.001 1.00 43.31 O ATOM 576 CB TYR A 38 7.579 7.583 -5.293 1.00 4.33 C ATOM 577 CG TYR A 38 6.495 7.031 -6.195 1.00 30.41 C ATOM 578 CD1 TYR A 38 5.800 7.900 -7.053 1.00 34.41 C ATOM 579 CD2 TYR A 38 6.272 5.644 -6.272 1.00 23.13 C ATOM 580 CE1 TYR A 38 4.915 7.387 -8.015 1.00 35.40 C ATOM 581 CE2 TYR A 38 5.392 5.122 -7.233 1.00 22.12 C ATOM 582 CZ TYR A 38 4.712 5.993 -8.112 1.00 52.43 C ATOM 583 OH TYR A 38 3.863 5.493 -9.045 1.00 4.32 O ATOM 0 H TYR A 38 9.899 6.262 -6.125 1.00 31.02 H new ATOM 0 HA TYR A 38 8.490 8.806 -6.761 1.00 24.15 H new ATOM 0 HB2 TYR A 38 7.864 6.821 -4.568 1.00 4.33 H new ATOM 0 HB3 TYR A 38 7.181 8.427 -4.729 1.00 4.33 H new ATOM 0 HD1 TYR A 38 5.947 8.967 -6.972 1.00 34.41 H new ATOM 0 HD2 TYR A 38 6.780 4.979 -5.589 1.00 23.13 H new ATOM 0 HE1 TYR A 38 4.390 8.058 -8.680 1.00 35.40 H new ATOM 0 HE2 TYR A 38 5.235 4.056 -7.300 1.00 22.12 H new ATOM 0 HH TYR A 38 2.951 5.483 -8.686 1.00 4.32 H new ATOM 593 N ALA A 39 11.106 8.819 -5.736 1.00 21.11 N ATOM 594 CA ALA A 39 12.235 9.459 -5.076 1.00 1.30 C ATOM 595 C ALA A 39 12.772 10.614 -5.933 1.00 2.41 C ATOM 596 O ALA A 39 12.247 10.925 -7.007 1.00 33.42 O ATOM 597 CB ALA A 39 13.293 8.391 -4.780 1.00 25.11 C ATOM 0 H ALA A 39 11.324 8.499 -6.679 1.00 21.11 H new ATOM 0 HA ALA A 39 11.929 9.904 -4.129 1.00 1.30 H new ATOM 0 HB1 ALA A 39 14.147 8.853 -4.285 1.00 25.11 H new ATOM 0 HB2 ALA A 39 12.867 7.627 -4.130 1.00 25.11 H new ATOM 0 HB3 ALA A 39 13.619 7.933 -5.714 1.00 25.11 H new ATOM 603 N SER A 40 13.816 11.276 -5.443 1.00 74.43 N ATOM 604 CA SER A 40 14.534 12.344 -6.133 1.00 71.43 C ATOM 605 C SER A 40 15.954 12.383 -5.587 1.00 10.43 C ATOM 606 O SER A 40 16.158 12.037 -4.423 1.00 24.41 O ATOM 607 CB SER A 40 13.811 13.680 -5.885 1.00 63.33 C ATOM 608 OG SER A 40 13.467 13.828 -4.510 1.00 43.45 O ATOM 0 H SER A 40 14.200 11.076 -4.519 1.00 74.43 H new ATOM 0 HA SER A 40 14.565 12.168 -7.208 1.00 71.43 H new ATOM 0 HB2 SER A 40 14.451 14.506 -6.194 1.00 63.33 H new ATOM 0 HB3 SER A 40 12.910 13.729 -6.496 1.00 63.33 H new ATOM 0 HG SER A 40 13.010 14.685 -4.377 1.00 43.45 H new ATOM 728 N ARG A 48 17.190 10.166 -2.621 1.00 24.13 N ATOM 729 CA ARG A 48 16.475 10.302 -1.364 1.00 4.24 C ATOM 730 C ARG A 48 15.060 9.810 -1.601 1.00 23.15 C ATOM 731 O ARG A 48 14.275 10.496 -2.270 1.00 71.34 O ATOM 732 CB ARG A 48 16.469 11.756 -0.849 1.00 41.44 C ATOM 733 CG ARG A 48 17.557 12.027 0.196 1.00 15.34 C ATOM 734 CD ARG A 48 18.962 12.204 -0.392 1.00 61.33 C ATOM 735 NE ARG A 48 19.953 11.349 0.285 1.00 13.20 N ATOM 736 CZ ARG A 48 20.579 11.622 1.437 1.00 71.43 C ATOM 737 NH1 ARG A 48 20.294 12.739 2.102 1.00 62.21 N ATOM 738 NH2 ARG A 48 21.466 10.768 1.927 1.00 53.11 N ATOM 0 HA ARG A 48 16.973 9.714 -0.593 1.00 4.24 H new ATOM 0 HB2 ARG A 48 16.605 12.434 -1.691 1.00 41.44 H new ATOM 0 HB3 ARG A 48 15.494 11.978 -0.416 1.00 41.44 H new ATOM 0 HG2 ARG A 48 17.293 12.925 0.755 1.00 15.34 H new ATOM 0 HG3 ARG A 48 17.575 11.202 0.908 1.00 15.34 H new ATOM 0 HD2 ARG A 48 18.943 11.966 -1.455 1.00 61.33 H new ATOM 0 HD3 ARG A 48 19.263 13.248 -0.305 1.00 61.33 H new ATOM 0 HE ARG A 48 20.184 10.464 -0.167 1.00 13.20 H new ATOM 0 HH11 ARG A 48 19.598 13.388 1.734 1.00 62.21 H new ATOM 0 HH12 ARG A 48 20.771 12.946 2.979 1.00 62.21 H new ATOM 0 HH21 ARG A 48 21.672 9.903 1.427 1.00 53.11 H new ATOM 0 HH22 ARG A 48 21.943 10.976 2.804 1.00 53.11 H new ATOM 752 N TYR A 49 14.738 8.640 -1.057 1.00 53.43 N ATOM 753 CA TYR A 49 13.374 8.159 -0.906 1.00 10.45 C ATOM 754 C TYR A 49 12.526 9.251 -0.242 1.00 33.04 C ATOM 755 O TYR A 49 13.033 10.075 0.524 1.00 11.22 O ATOM 756 CB TYR A 49 13.382 6.881 -0.058 1.00 22.30 C ATOM 757 CG TYR A 49 14.255 5.734 -0.566 1.00 44.30 C ATOM 758 CD1 TYR A 49 14.180 5.289 -1.904 1.00 51.04 C ATOM 759 CD2 TYR A 49 15.133 5.087 0.328 1.00 52.22 C ATOM 760 CE1 TYR A 49 14.971 4.211 -2.353 1.00 62.23 C ATOM 761 CE2 TYR A 49 15.930 4.016 -0.110 1.00 30.51 C ATOM 762 CZ TYR A 49 15.847 3.566 -1.446 1.00 73.24 C ATOM 763 OH TYR A 49 16.663 2.549 -1.837 1.00 13.41 O ATOM 0 H TYR A 49 15.436 7.987 -0.702 1.00 53.43 H new ATOM 0 HA TYR A 49 12.943 7.928 -1.880 1.00 10.45 H new ATOM 0 HB2 TYR A 49 13.711 7.141 0.948 1.00 22.30 H new ATOM 0 HB3 TYR A 49 12.357 6.519 0.025 1.00 22.30 H new ATOM 0 HD1 TYR A 49 13.508 5.780 -2.592 1.00 51.04 H new ATOM 0 HD2 TYR A 49 15.193 5.416 1.355 1.00 52.22 H new ATOM 0 HE1 TYR A 49 14.909 3.880 -3.379 1.00 62.23 H new ATOM 0 HE2 TYR A 49 16.609 3.535 0.578 1.00 30.51 H new ATOM 0 HH TYR A 49 16.162 1.928 -2.407 1.00 13.41 H new ATOM 773 N SER A 50 11.238 9.277 -0.564 1.00 2.02 N ATOM 774 CA SER A 50 10.286 10.254 -0.054 1.00 72.53 C ATOM 775 C SER A 50 9.868 9.940 1.383 1.00 0.33 C ATOM 776 O SER A 50 10.026 8.808 1.853 1.00 12.24 O ATOM 777 CB SER A 50 9.088 10.270 -1.008 1.00 33.43 C ATOM 778 OG SER A 50 9.529 10.828 -2.228 1.00 51.13 O ATOM 0 H SER A 50 10.817 8.602 -1.203 1.00 2.02 H new ATOM 0 HA SER A 50 10.745 11.242 -0.016 1.00 72.53 H new ATOM 0 HB2 SER A 50 8.707 9.261 -1.163 1.00 33.43 H new ATOM 0 HB3 SER A 50 8.271 10.858 -0.589 1.00 33.43 H new ATOM 0 HG SER A 50 9.411 10.174 -2.948 1.00 51.13 H new ATOM 784 N PRO A 51 9.257 10.917 2.077 1.00 62.50 N ATOM 785 CA PRO A 51 8.688 10.709 3.397 1.00 51.32 C ATOM 786 C PRO A 51 7.645 9.592 3.394 1.00 22.25 C ATOM 787 O PRO A 51 7.549 8.886 4.392 1.00 4.32 O ATOM 788 CB PRO A 51 8.073 12.055 3.816 1.00 42.22 C ATOM 789 CG PRO A 51 7.948 12.834 2.513 1.00 10.10 C ATOM 790 CD PRO A 51 9.108 12.309 1.687 1.00 62.40 C ATOM 0 HA PRO A 51 9.453 10.390 4.105 1.00 51.32 H new ATOM 0 HB2 PRO A 51 7.102 11.918 4.292 1.00 42.22 H new ATOM 0 HB3 PRO A 51 8.708 12.577 4.532 1.00 42.22 H new ATOM 0 HG2 PRO A 51 6.990 12.652 2.025 1.00 10.10 H new ATOM 0 HG3 PRO A 51 8.023 13.909 2.677 1.00 10.10 H new ATOM 0 HD2 PRO A 51 8.904 12.399 0.620 1.00 62.40 H new ATOM 0 HD3 PRO A 51 10.019 12.873 1.886 1.00 62.40 H new ATOM 798 N TYR A 52 6.878 9.428 2.307 1.00 61.23 N ATOM 799 CA TYR A 52 5.652 8.633 2.274 1.00 32.04 C ATOM 800 C TYR A 52 5.856 7.139 2.066 1.00 24.34 C ATOM 801 O TYR A 52 4.886 6.388 2.111 1.00 71.13 O ATOM 802 CB TYR A 52 4.707 9.206 1.200 1.00 45.31 C ATOM 803 CG TYR A 52 4.373 10.676 1.400 1.00 50.33 C ATOM 804 CD1 TYR A 52 3.938 11.138 2.656 1.00 0.13 C ATOM 805 CD2 TYR A 52 4.547 11.596 0.350 1.00 0.10 C ATOM 806 CE1 TYR A 52 3.807 12.513 2.907 1.00 53.44 C ATOM 807 CE2 TYR A 52 4.365 12.971 0.574 1.00 21.35 C ATOM 808 CZ TYR A 52 4.052 13.441 1.868 1.00 22.11 C ATOM 809 OH TYR A 52 3.995 14.779 2.096 1.00 42.55 O ATOM 0 H TYR A 52 7.102 9.856 1.408 1.00 61.23 H new ATOM 0 HA TYR A 52 5.211 8.714 3.268 1.00 32.04 H new ATOM 0 HB2 TYR A 52 5.165 9.077 0.219 1.00 45.31 H new ATOM 0 HB3 TYR A 52 3.782 8.630 1.198 1.00 45.31 H new ATOM 0 HD1 TYR A 52 3.703 10.428 3.435 1.00 0.13 H new ATOM 0 HD2 TYR A 52 4.822 11.244 -0.633 1.00 0.10 H new ATOM 0 HE1 TYR A 52 3.521 12.861 3.889 1.00 53.44 H new ATOM 0 HE2 TYR A 52 4.465 13.669 -0.244 1.00 21.35 H new ATOM 0 HH TYR A 52 4.193 15.261 1.266 1.00 42.55 H new ATOM 819 N LEU A 53 7.078 6.679 1.813 1.00 44.23 N ATOM 820 CA LEU A 53 7.284 5.407 1.134 1.00 5.12 C ATOM 821 C LEU A 53 8.548 4.772 1.669 1.00 41.03 C ATOM 822 O LEU A 53 9.619 5.356 1.522 1.00 3.43 O ATOM 823 CB LEU A 53 7.377 5.694 -0.369 1.00 34.51 C ATOM 824 CG LEU A 53 6.070 5.407 -1.126 1.00 41.14 C ATOM 825 CD1 LEU A 53 5.781 6.481 -2.172 1.00 75.11 C ATOM 826 CD2 LEU A 53 6.171 4.052 -1.817 1.00 51.31 C ATOM 0 H LEU A 53 7.937 7.167 2.068 1.00 44.23 H new ATOM 0 HA LEU A 53 6.464 4.711 1.308 1.00 5.12 H new ATOM 0 HB2 LEU A 53 7.652 6.739 -0.516 1.00 34.51 H new ATOM 0 HB3 LEU A 53 8.177 5.091 -0.798 1.00 34.51 H new ATOM 0 HG LEU A 53 5.255 5.406 -0.402 1.00 41.14 H new ATOM 0 HD11 LEU A 53 4.850 6.246 -2.687 1.00 75.11 H new ATOM 0 HD12 LEU A 53 5.690 7.451 -1.682 1.00 75.11 H new ATOM 0 HD13 LEU A 53 6.597 6.515 -2.894 1.00 75.11 H new ATOM 0 HD21 LEU A 53 5.245 3.848 -2.354 1.00 51.31 H new ATOM 0 HD22 LEU A 53 7.003 4.064 -2.521 1.00 51.31 H new ATOM 0 HD23 LEU A 53 6.337 3.275 -1.071 1.00 51.31 H new ATOM 838 N LYS A 54 8.435 3.615 2.322 1.00 54.30 N ATOM 839 CA LYS A 54 9.578 2.856 2.823 1.00 4.53 C ATOM 840 C LYS A 54 9.266 1.360 2.749 1.00 62.52 C ATOM 841 O LYS A 54 8.091 0.986 2.732 1.00 34.13 O ATOM 842 CB LYS A 54 9.903 3.280 4.274 1.00 1.33 C ATOM 843 CG LYS A 54 10.676 4.614 4.313 1.00 33.45 C ATOM 844 CD LYS A 54 11.227 5.010 5.687 1.00 54.34 C ATOM 845 CE LYS A 54 10.092 5.338 6.663 1.00 63.10 C ATOM 846 NZ LYS A 54 10.550 6.029 7.883 1.00 32.10 N ATOM 0 H LYS A 54 7.536 3.175 2.519 1.00 54.30 H new ATOM 0 HA LYS A 54 10.453 3.063 2.207 1.00 4.53 H new ATOM 0 HB2 LYS A 54 8.978 3.378 4.842 1.00 1.33 H new ATOM 0 HB3 LYS A 54 10.493 2.502 4.758 1.00 1.33 H new ATOM 0 HG2 LYS A 54 11.507 4.555 3.610 1.00 33.45 H new ATOM 0 HG3 LYS A 54 10.017 5.408 3.961 1.00 33.45 H new ATOM 0 HD2 LYS A 54 11.832 4.197 6.088 1.00 54.34 H new ATOM 0 HD3 LYS A 54 11.883 5.874 5.584 1.00 54.34 H new ATOM 0 HE2 LYS A 54 9.356 5.961 6.156 1.00 63.10 H new ATOM 0 HE3 LYS A 54 9.587 4.414 6.945 1.00 63.10 H new ATOM 0 HZ1 LYS A 54 9.735 6.222 8.500 1.00 32.10 H new ATOM 0 HZ2 LYS A 54 11.232 5.427 8.388 1.00 32.10 H new ATOM 0 HZ3 LYS A 54 11.007 6.926 7.623 1.00 32.10 H new ATOM 860 N PRO A 55 10.286 0.485 2.746 1.00 50.44 N ATOM 861 CA PRO A 55 10.093 -0.943 2.953 1.00 32.21 C ATOM 862 C PRO A 55 9.498 -1.209 4.342 1.00 23.21 C ATOM 863 O PRO A 55 9.446 -0.321 5.202 1.00 25.12 O ATOM 864 CB PRO A 55 11.486 -1.569 2.793 1.00 54.31 C ATOM 865 CG PRO A 55 12.445 -0.430 3.115 1.00 5.04 C ATOM 866 CD PRO A 55 11.699 0.800 2.605 1.00 22.22 C ATOM 0 HA PRO A 55 9.389 -1.375 2.242 1.00 32.21 H new ATOM 0 HB2 PRO A 55 11.625 -2.411 3.471 1.00 54.31 H new ATOM 0 HB3 PRO A 55 11.640 -1.946 1.782 1.00 54.31 H new ATOM 0 HG2 PRO A 55 12.649 -0.364 4.184 1.00 5.04 H new ATOM 0 HG3 PRO A 55 13.405 -0.557 2.614 1.00 5.04 H new ATOM 0 HD2 PRO A 55 11.963 1.686 3.182 1.00 22.22 H new ATOM 0 HD3 PRO A 55 11.952 1.010 1.566 1.00 22.22 H new ATOM 874 N ARG A 56 9.093 -2.454 4.595 1.00 32.30 N ATOM 875 CA ARG A 56 8.725 -2.938 5.927 1.00 44.34 C ATOM 876 C ARG A 56 9.426 -4.269 6.183 1.00 23.22 C ATOM 877 O ARG A 56 10.351 -4.642 5.457 1.00 45.21 O ATOM 878 CB ARG A 56 7.183 -2.947 6.087 1.00 45.21 C ATOM 879 CG ARG A 56 6.688 -1.960 7.163 1.00 4.24 C ATOM 880 CD ARG A 56 6.440 -2.703 8.484 1.00 41.02 C ATOM 881 NE ARG A 56 6.265 -1.815 9.643 1.00 11.04 N ATOM 882 CZ ARG A 56 7.235 -1.358 10.443 1.00 41.44 C ATOM 883 NH1 ARG A 56 8.513 -1.446 10.091 1.00 2.03 N ATOM 884 NH2 ARG A 56 6.942 -0.818 11.616 1.00 53.31 N ATOM 0 H ARG A 56 9.010 -3.166 3.869 1.00 32.30 H new ATOM 0 HA ARG A 56 9.074 -2.266 6.711 1.00 44.34 H new ATOM 0 HB2 ARG A 56 6.722 -2.697 5.132 1.00 45.21 H new ATOM 0 HB3 ARG A 56 6.855 -3.954 6.346 1.00 45.21 H new ATOM 0 HG2 ARG A 56 7.426 -1.172 7.313 1.00 4.24 H new ATOM 0 HG3 ARG A 56 5.769 -1.477 6.830 1.00 4.24 H new ATOM 0 HD2 ARG A 56 5.552 -3.326 8.378 1.00 41.02 H new ATOM 0 HD3 ARG A 56 7.278 -3.373 8.675 1.00 41.02 H new ATOM 0 HE ARG A 56 5.313 -1.519 9.858 1.00 11.04 H new ATOM 0 HH11 ARG A 56 8.768 -1.867 9.198 1.00 2.03 H new ATOM 0 HH12 ARG A 56 9.239 -1.092 10.714 1.00 2.03 H new ATOM 0 HH21 ARG A 56 5.970 -0.748 11.917 1.00 53.31 H new ATOM 0 HH22 ARG A 56 7.688 -0.472 12.219 1.00 53.31 H new ATOM 898 N VAL A 57 9.013 -4.967 7.235 1.00 12.43 N ATOM 899 CA VAL A 57 8.941 -6.410 7.227 1.00 13.11 C ATOM 900 C VAL A 57 7.550 -6.731 7.783 1.00 72.12 C ATOM 901 O VAL A 57 7.108 -6.066 8.718 1.00 4.24 O ATOM 902 CB VAL A 57 10.097 -7.033 8.040 1.00 22.04 C ATOM 903 CG1 VAL A 57 10.011 -8.564 8.028 1.00 3.22 C ATOM 904 CG2 VAL A 57 11.477 -6.643 7.482 1.00 73.52 C ATOM 0 H VAL A 57 8.720 -4.541 8.114 1.00 12.43 H new ATOM 0 HA VAL A 57 9.063 -6.839 6.232 1.00 13.11 H new ATOM 0 HB VAL A 57 9.993 -6.647 9.054 1.00 22.04 H new ATOM 0 HG11 VAL A 57 10.836 -8.979 8.607 1.00 3.22 H new ATOM 0 HG12 VAL A 57 9.064 -8.879 8.467 1.00 3.22 H new ATOM 0 HG13 VAL A 57 10.072 -8.924 7.001 1.00 3.22 H new ATOM 0 HG21 VAL A 57 12.258 -7.105 8.086 1.00 73.52 H new ATOM 0 HG22 VAL A 57 11.564 -6.988 6.452 1.00 73.52 H new ATOM 0 HG23 VAL A 57 11.588 -5.559 7.512 1.00 73.52 H new ATOM 914 N ILE A 58 6.852 -7.706 7.199 1.00 71.43 N ATOM 915 CA ILE A 58 5.648 -8.320 7.762 1.00 53.31 C ATOM 916 C ILE A 58 5.813 -9.815 7.541 1.00 63.45 C ATOM 917 O ILE A 58 6.012 -10.246 6.408 1.00 34.22 O ATOM 918 CB ILE A 58 4.354 -7.784 7.103 1.00 61.11 C ATOM 919 CG1 ILE A 58 4.188 -6.287 7.431 1.00 40.22 C ATOM 920 CG2 ILE A 58 3.121 -8.591 7.570 1.00 55.42 C ATOM 921 CD1 ILE A 58 2.946 -5.659 6.808 1.00 22.40 C ATOM 0 H ILE A 58 7.116 -8.101 6.296 1.00 71.43 H new ATOM 0 HA ILE A 58 5.543 -8.079 8.820 1.00 53.31 H new ATOM 0 HB ILE A 58 4.434 -7.902 6.022 1.00 61.11 H new ATOM 0 HG12 ILE A 58 4.143 -6.164 8.513 1.00 40.22 H new ATOM 0 HG13 ILE A 58 5.070 -5.748 7.085 1.00 40.22 H new ATOM 0 HG21 ILE A 58 2.225 -8.195 7.093 1.00 55.42 H new ATOM 0 HG22 ILE A 58 3.246 -9.638 7.295 1.00 55.42 H new ATOM 0 HG23 ILE A 58 3.022 -8.510 8.652 1.00 55.42 H new ATOM 0 HD11 ILE A 58 2.895 -4.605 7.082 1.00 22.40 H new ATOM 0 HD12 ILE A 58 2.997 -5.750 5.723 1.00 22.40 H new ATOM 0 HD13 ILE A 58 2.057 -6.172 7.173 1.00 22.40 H new ATOM 933 N GLU A 59 5.774 -10.613 8.601 1.00 10.13 N ATOM 934 CA GLU A 59 5.957 -12.061 8.575 1.00 75.42 C ATOM 935 C GLU A 59 7.233 -12.490 7.822 1.00 71.13 C ATOM 936 O GLU A 59 7.327 -13.616 7.333 1.00 40.54 O ATOM 937 CB GLU A 59 4.684 -12.764 8.055 1.00 20.12 C ATOM 938 CG GLU A 59 3.458 -12.585 8.971 1.00 72.41 C ATOM 939 CD GLU A 59 2.238 -13.414 8.532 1.00 25.30 C ATOM 940 OE1 GLU A 59 2.182 -13.880 7.373 1.00 61.11 O ATOM 941 OE2 GLU A 59 1.273 -13.540 9.320 1.00 11.23 O ATOM 0 H GLU A 59 5.607 -10.255 9.542 1.00 10.13 H new ATOM 0 HA GLU A 59 6.113 -12.390 9.602 1.00 75.42 H new ATOM 0 HB2 GLU A 59 4.445 -12.377 7.064 1.00 20.12 H new ATOM 0 HB3 GLU A 59 4.889 -13.829 7.941 1.00 20.12 H new ATOM 0 HG2 GLU A 59 3.731 -12.865 9.989 1.00 72.41 H new ATOM 0 HG3 GLU A 59 3.182 -11.531 8.994 1.00 72.41 H new ATOM 948 N GLY A 60 8.243 -11.621 7.723 1.00 3.44 N ATOM 949 CA GLY A 60 9.474 -11.875 6.980 1.00 23.41 C ATOM 950 C GLY A 60 9.415 -11.481 5.497 1.00 73.33 C ATOM 951 O GLY A 60 10.446 -11.545 4.825 1.00 45.22 O ATOM 0 H GLY A 60 8.224 -10.703 8.167 1.00 3.44 H new ATOM 0 HA2 GLY A 60 10.290 -11.330 7.456 1.00 23.41 H new ATOM 0 HA3 GLY A 60 9.715 -12.936 7.052 1.00 23.41 H new ATOM 955 N VAL A 61 8.272 -11.055 4.949 1.00 22.02 N ATOM 956 CA VAL A 61 8.199 -10.483 3.603 1.00 73.05 C ATOM 957 C VAL A 61 8.788 -9.071 3.611 1.00 72.43 C ATOM 958 O VAL A 61 8.906 -8.449 4.664 1.00 52.32 O ATOM 959 CB VAL A 61 6.751 -10.546 3.078 1.00 0.41 C ATOM 960 CG1 VAL A 61 5.898 -9.356 3.518 1.00 44.13 C ATOM 961 CG2 VAL A 61 6.686 -10.657 1.546 1.00 41.22 C ATOM 0 H VAL A 61 7.372 -11.098 5.427 1.00 22.02 H new ATOM 0 HA VAL A 61 8.800 -11.069 2.907 1.00 73.05 H new ATOM 0 HB VAL A 61 6.340 -11.452 3.524 1.00 0.41 H new ATOM 0 HG11 VAL A 61 4.891 -9.462 3.115 1.00 44.13 H new ATOM 0 HG12 VAL A 61 5.852 -9.324 4.607 1.00 44.13 H new ATOM 0 HG13 VAL A 61 6.342 -8.433 3.147 1.00 44.13 H new ATOM 0 HG21 VAL A 61 5.644 -10.698 1.228 1.00 41.22 H new ATOM 0 HG22 VAL A 61 7.168 -9.788 1.097 1.00 41.22 H new ATOM 0 HG23 VAL A 61 7.199 -11.563 1.225 1.00 41.22 H new ATOM 971 N ARG A 62 9.137 -8.559 2.429 1.00 33.23 N ATOM 972 CA ARG A 62 9.794 -7.265 2.285 1.00 12.33 C ATOM 973 C ARG A 62 8.797 -6.121 2.377 1.00 22.54 C ATOM 974 O ARG A 62 8.987 -5.218 3.180 1.00 24.33 O ATOM 975 CB ARG A 62 10.585 -7.202 0.972 1.00 64.40 C ATOM 976 CG ARG A 62 11.793 -8.146 0.858 1.00 34.43 C ATOM 977 CD ARG A 62 11.500 -9.657 0.837 1.00 14.02 C ATOM 978 NE ARG A 62 12.692 -10.434 0.464 1.00 21.21 N ATOM 979 CZ ARG A 62 13.823 -10.521 1.176 1.00 0.32 C ATOM 980 NH1 ARG A 62 13.918 -10.038 2.409 1.00 52.51 N ATOM 981 NH2 ARG A 62 14.890 -11.082 0.630 1.00 1.10 N ATOM 0 H ARG A 62 8.970 -9.035 1.543 1.00 33.23 H new ATOM 0 HA ARG A 62 10.495 -7.154 3.112 1.00 12.33 H new ATOM 0 HB2 ARG A 62 9.902 -7.420 0.151 1.00 64.40 H new ATOM 0 HB3 ARG A 62 10.936 -6.179 0.833 1.00 64.40 H new ATOM 0 HG2 ARG A 62 12.335 -7.893 -0.053 1.00 34.43 H new ATOM 0 HG3 ARG A 62 12.462 -7.942 1.694 1.00 34.43 H new ATOM 0 HD2 ARG A 62 11.151 -9.974 1.820 1.00 14.02 H new ATOM 0 HD3 ARG A 62 10.695 -9.863 0.131 1.00 14.02 H new ATOM 0 HE ARG A 62 12.654 -10.952 -0.414 1.00 21.21 H new ATOM 0 HH11 ARG A 62 13.114 -9.584 2.842 1.00 52.51 H new ATOM 0 HH12 ARG A 62 14.795 -10.121 2.923 1.00 52.51 H new ATOM 0 HH21 ARG A 62 14.845 -11.442 -0.323 1.00 1.10 H new ATOM 0 HH22 ARG A 62 15.757 -11.154 1.162 1.00 1.10 H new ATOM 995 N CYS A 63 7.711 -6.211 1.606 1.00 62.31 N ATOM 996 CA CYS A 63 6.585 -5.280 1.560 1.00 13.52 C ATOM 997 C CYS A 63 6.949 -3.788 1.426 1.00 2.51 C ATOM 998 O CYS A 63 8.114 -3.404 1.413 1.00 2.24 O ATOM 999 CB CYS A 63 5.597 -5.596 2.696 1.00 34.33 C ATOM 1000 SG CYS A 63 6.303 -5.783 4.351 1.00 15.51 S ATOM 0 H CYS A 63 7.588 -6.987 0.956 1.00 62.31 H new ATOM 0 HA CYS A 63 6.079 -5.454 0.611 1.00 13.52 H new ATOM 0 HB2 CYS A 63 4.852 -4.801 2.731 1.00 34.33 H new ATOM 0 HB3 CYS A 63 5.070 -6.516 2.444 1.00 34.33 H new ATOM 0 HG CYS A 63 7.556 -5.437 4.330 1.00 15.51 H new ATOM 1006 N LEU A 64 5.939 -2.940 1.232 1.00 42.43 N ATOM 1007 CA LEU A 64 6.115 -1.523 0.911 1.00 63.33 C ATOM 1008 C LEU A 64 5.014 -0.724 1.591 1.00 13.00 C ATOM 1009 O LEU A 64 3.848 -0.879 1.230 1.00 44.31 O ATOM 1010 CB LEU A 64 6.071 -1.354 -0.612 1.00 2.41 C ATOM 1011 CG LEU A 64 6.169 0.107 -1.089 1.00 55.41 C ATOM 1012 CD1 LEU A 64 7.462 0.821 -0.659 1.00 22.23 C ATOM 1013 CD2 LEU A 64 6.037 0.076 -2.609 1.00 24.10 C ATOM 0 H LEU A 64 4.961 -3.222 1.294 1.00 42.43 H new ATOM 0 HA LEU A 64 7.076 -1.157 1.271 1.00 63.33 H new ATOM 0 HB2 LEU A 64 6.889 -1.924 -1.053 1.00 2.41 H new ATOM 0 HB3 LEU A 64 5.143 -1.785 -0.987 1.00 2.41 H new ATOM 0 HG LEU A 64 5.374 0.688 -0.621 1.00 55.41 H new ATOM 0 HD11 LEU A 64 7.454 1.844 -1.034 1.00 22.23 H new ATOM 0 HD12 LEU A 64 7.526 0.833 0.429 1.00 22.23 H new ATOM 0 HD13 LEU A 64 8.323 0.292 -1.067 1.00 22.23 H new ATOM 0 HD21 LEU A 64 6.100 1.091 -3.000 1.00 24.10 H new ATOM 0 HD22 LEU A 64 6.841 -0.526 -3.032 1.00 24.10 H new ATOM 0 HD23 LEU A 64 5.076 -0.359 -2.882 1.00 24.10 H new ATOM 1025 N ALA A 65 5.381 0.065 2.598 1.00 4.32 N ATOM 1026 CA ALA A 65 4.494 0.935 3.351 1.00 12.14 C ATOM 1027 C ALA A 65 4.313 2.249 2.587 1.00 30.41 C ATOM 1028 O ALA A 65 5.311 2.920 2.306 1.00 5.42 O ATOM 1029 CB ALA A 65 5.115 1.180 4.733 1.00 23.41 C ATOM 0 H ALA A 65 6.347 0.114 2.922 1.00 4.32 H new ATOM 0 HA ALA A 65 3.513 0.477 3.479 1.00 12.14 H new ATOM 0 HB1 ALA A 65 4.463 1.832 5.314 1.00 23.41 H new ATOM 0 HB2 ALA A 65 5.234 0.229 5.252 1.00 23.41 H new ATOM 0 HB3 ALA A 65 6.090 1.653 4.615 1.00 23.41 H new ATOM 1035 N VAL A 66 3.074 2.633 2.270 1.00 42.45 N ATOM 1036 CA VAL A 66 2.737 3.807 1.468 1.00 60.22 C ATOM 1037 C VAL A 66 1.734 4.653 2.250 1.00 75.05 C ATOM 1038 O VAL A 66 0.625 4.215 2.553 1.00 40.23 O ATOM 1039 CB VAL A 66 2.266 3.416 0.057 1.00 65.21 C ATOM 1040 CG1 VAL A 66 2.085 4.671 -0.814 1.00 12.32 C ATOM 1041 CG2 VAL A 66 3.324 2.494 -0.569 1.00 34.44 C ATOM 0 H VAL A 66 2.250 2.115 2.577 1.00 42.45 H new ATOM 0 HA VAL A 66 3.623 4.417 1.294 1.00 60.22 H new ATOM 0 HB VAL A 66 1.307 2.902 0.118 1.00 65.21 H new ATOM 0 HG11 VAL A 66 1.751 4.378 -1.809 1.00 12.32 H new ATOM 0 HG12 VAL A 66 1.341 5.325 -0.360 1.00 12.32 H new ATOM 0 HG13 VAL A 66 3.035 5.201 -0.891 1.00 12.32 H new ATOM 0 HG21 VAL A 66 3.008 2.205 -1.571 1.00 34.44 H new ATOM 0 HG22 VAL A 66 4.277 3.020 -0.627 1.00 34.44 H new ATOM 0 HG23 VAL A 66 3.439 1.602 0.046 1.00 34.44 H new ATOM 1051 N ASP A 67 2.154 5.852 2.633 1.00 3.41 N ATOM 1052 CA ASP A 67 1.356 6.817 3.376 1.00 62.41 C ATOM 1053 C ASP A 67 0.319 7.468 2.456 1.00 3.30 C ATOM 1054 O ASP A 67 0.650 7.895 1.346 1.00 42.25 O ATOM 1055 CB ASP A 67 2.296 7.879 3.938 1.00 30.34 C ATOM 1056 CG ASP A 67 1.609 8.689 5.017 1.00 74.14 C ATOM 1057 OD1 ASP A 67 0.788 9.551 4.655 1.00 40.03 O ATOM 1058 OD2 ASP A 67 1.935 8.484 6.209 1.00 25.05 O ATOM 0 H ASP A 67 3.094 6.191 2.427 1.00 3.41 H new ATOM 0 HA ASP A 67 0.825 6.317 4.186 1.00 62.41 H new ATOM 0 HB2 ASP A 67 3.187 7.403 4.347 1.00 30.34 H new ATOM 0 HB3 ASP A 67 2.627 8.539 3.136 1.00 30.34 H new ATOM 1063 N LEU A 68 -0.935 7.556 2.902 1.00 5.14 N ATOM 1064 CA LEU A 68 -2.045 8.092 2.115 1.00 5.25 C ATOM 1065 C LEU A 68 -1.943 9.599 1.890 1.00 42.34 C ATOM 1066 O LEU A 68 -2.603 10.111 0.985 1.00 24.34 O ATOM 1067 CB LEU A 68 -3.401 7.750 2.763 1.00 5.43 C ATOM 1068 CG LEU A 68 -4.186 6.675 2.006 1.00 33.34 C ATOM 1069 CD1 LEU A 68 -5.356 6.189 2.872 1.00 4.02 C ATOM 1070 CD2 LEU A 68 -4.725 7.201 0.671 1.00 51.25 C ATOM 0 H LEU A 68 -1.212 7.252 3.835 1.00 5.14 H new ATOM 0 HA LEU A 68 -1.980 7.612 1.138 1.00 5.25 H new ATOM 0 HB2 LEU A 68 -3.231 7.412 3.785 1.00 5.43 H new ATOM 0 HB3 LEU A 68 -4.005 8.655 2.822 1.00 5.43 H new ATOM 0 HG LEU A 68 -3.505 5.851 1.794 1.00 33.34 H new ATOM 0 HD11 LEU A 68 -5.915 5.424 2.333 1.00 4.02 H new ATOM 0 HD12 LEU A 68 -4.971 5.770 3.802 1.00 4.02 H new ATOM 0 HD13 LEU A 68 -6.015 7.028 3.098 1.00 4.02 H new ATOM 0 HD21 LEU A 68 -5.276 6.409 0.164 1.00 51.25 H new ATOM 0 HD22 LEU A 68 -5.389 8.045 0.854 1.00 51.25 H new ATOM 0 HD23 LEU A 68 -3.893 7.523 0.044 1.00 51.25 H new ATOM 1082 N LYS A 69 -1.095 10.331 2.621 1.00 41.24 N ATOM 1083 CA LYS A 69 -0.868 11.754 2.330 1.00 4.33 C ATOM 1084 C LYS A 69 -0.371 11.916 0.896 1.00 74.03 C ATOM 1085 O LYS A 69 -0.718 12.890 0.232 1.00 30.31 O ATOM 1086 CB LYS A 69 0.114 12.360 3.348 1.00 62.24 C ATOM 1087 CG LYS A 69 -0.019 13.876 3.587 1.00 33.20 C ATOM 1088 CD LYS A 69 0.550 14.828 2.521 1.00 14.44 C ATOM 1089 CE LYS A 69 -0.458 15.554 1.622 1.00 71.24 C ATOM 1090 NZ LYS A 69 -1.594 16.196 2.319 1.00 2.43 N ATOM 0 H LYS A 69 -0.559 9.969 3.410 1.00 41.24 H new ATOM 0 HA LYS A 69 -1.808 12.298 2.423 1.00 4.33 H new ATOM 0 HB2 LYS A 69 -0.018 11.848 4.301 1.00 62.24 H new ATOM 0 HB3 LYS A 69 1.130 12.152 3.013 1.00 62.24 H new ATOM 0 HG2 LYS A 69 -1.078 14.103 3.707 1.00 33.20 H new ATOM 0 HG3 LYS A 69 0.466 14.108 4.535 1.00 33.20 H new ATOM 0 HD2 LYS A 69 1.154 15.580 3.028 1.00 14.44 H new ATOM 0 HD3 LYS A 69 1.223 14.256 1.882 1.00 14.44 H new ATOM 0 HE2 LYS A 69 0.074 16.317 1.054 1.00 71.24 H new ATOM 0 HE3 LYS A 69 -0.855 14.839 0.901 1.00 71.24 H new ATOM 0 HZ1 LYS A 69 -2.108 16.809 1.654 1.00 2.43 H new ATOM 0 HZ2 LYS A 69 -2.237 15.464 2.682 1.00 2.43 H new ATOM 0 HZ3 LYS A 69 -1.237 16.767 3.111 1.00 2.43 H new ATOM 1104 N LEU A 70 0.384 10.946 0.378 1.00 70.01 N ATOM 1105 CA LEU A 70 0.844 10.954 -1.003 1.00 1.52 C ATOM 1106 C LEU A 70 -0.322 11.077 -1.982 1.00 21.31 C ATOM 1107 O LEU A 70 -0.188 11.784 -2.968 1.00 40.13 O ATOM 1108 CB LEU A 70 1.643 9.679 -1.265 1.00 41.54 C ATOM 1109 CG LEU A 70 2.128 9.495 -2.714 1.00 42.21 C ATOM 1110 CD1 LEU A 70 3.229 10.507 -3.062 1.00 44.32 C ATOM 1111 CD2 LEU A 70 2.668 8.064 -2.809 1.00 23.22 C ATOM 0 H LEU A 70 0.692 10.132 0.910 1.00 70.01 H new ATOM 0 HA LEU A 70 1.481 11.824 -1.159 1.00 1.52 H new ATOM 0 HB2 LEU A 70 2.510 9.671 -0.605 1.00 41.54 H new ATOM 0 HB3 LEU A 70 1.028 8.821 -0.993 1.00 41.54 H new ATOM 0 HG LEU A 70 1.314 9.662 -3.419 1.00 42.21 H new ATOM 0 HD11 LEU A 70 3.552 10.353 -4.092 1.00 44.32 H new ATOM 0 HD12 LEU A 70 2.841 11.519 -2.951 1.00 44.32 H new ATOM 0 HD13 LEU A 70 4.077 10.368 -2.391 1.00 44.32 H new ATOM 0 HD21 LEU A 70 3.028 7.877 -3.821 1.00 23.22 H new ATOM 0 HD22 LEU A 70 3.489 7.937 -2.103 1.00 23.22 H new ATOM 0 HD23 LEU A 70 1.872 7.358 -2.571 1.00 23.22 H new ATOM 1123 N LYS A 71 -1.464 10.430 -1.732 1.00 3.14 N ATOM 1124 CA LYS A 71 -2.625 10.476 -2.625 1.00 65.24 C ATOM 1125 C LYS A 71 -3.194 11.887 -2.745 1.00 22.23 C ATOM 1126 O LYS A 71 -3.725 12.217 -3.794 1.00 63.23 O ATOM 1127 CB LYS A 71 -3.660 9.475 -2.081 1.00 62.01 C ATOM 1128 CG LYS A 71 -5.037 9.373 -2.744 1.00 51.11 C ATOM 1129 CD LYS A 71 -5.043 8.731 -4.137 1.00 35.33 C ATOM 1130 CE LYS A 71 -6.464 8.208 -4.367 1.00 70.43 C ATOM 1131 NZ LYS A 71 -6.764 7.864 -5.770 1.00 71.34 N ATOM 0 H LYS A 71 -1.610 9.857 -0.901 1.00 3.14 H new ATOM 0 HA LYS A 71 -2.335 10.198 -3.638 1.00 65.24 H new ATOM 0 HB2 LYS A 71 -3.206 8.485 -2.118 1.00 62.01 H new ATOM 0 HB3 LYS A 71 -3.821 9.712 -1.029 1.00 62.01 H new ATOM 0 HG2 LYS A 71 -5.695 8.797 -2.093 1.00 51.11 H new ATOM 0 HG3 LYS A 71 -5.461 10.374 -2.821 1.00 51.11 H new ATOM 0 HD2 LYS A 71 -4.769 9.459 -4.901 1.00 35.33 H new ATOM 0 HD3 LYS A 71 -4.317 7.920 -4.194 1.00 35.33 H new ATOM 0 HE2 LYS A 71 -6.618 7.325 -3.747 1.00 70.43 H new ATOM 0 HE3 LYS A 71 -7.175 8.962 -4.030 1.00 70.43 H new ATOM 0 HZ1 LYS A 71 -7.742 7.519 -5.841 1.00 71.34 H new ATOM 0 HZ2 LYS A 71 -6.650 8.708 -6.366 1.00 71.34 H new ATOM 0 HZ3 LYS A 71 -6.111 7.122 -6.093 1.00 71.34 H new ATOM 1145 N ASP A 72 -3.054 12.736 -1.731 1.00 10.31 N ATOM 1146 CA ASP A 72 -3.492 14.124 -1.829 1.00 24.30 C ATOM 1147 C ASP A 72 -2.574 14.915 -2.757 1.00 5.44 C ATOM 1148 O ASP A 72 -3.046 15.588 -3.670 1.00 31.04 O ATOM 1149 CB ASP A 72 -3.506 14.758 -0.443 1.00 63.41 C ATOM 1150 CG ASP A 72 -3.875 16.235 -0.472 1.00 63.23 C ATOM 1151 OD1 ASP A 72 -4.913 16.595 -1.073 1.00 63.44 O ATOM 1152 OD2 ASP A 72 -3.123 16.995 0.182 1.00 4.05 O ATOM 0 H ASP A 72 -2.641 12.487 -0.832 1.00 10.31 H new ATOM 0 HA ASP A 72 -4.499 14.144 -2.245 1.00 24.30 H new ATOM 0 HB2 ASP A 72 -4.216 14.224 0.189 1.00 63.41 H new ATOM 0 HB3 ASP A 72 -2.523 14.643 0.014 1.00 63.41 H new ATOM 1157 N THR A 73 -1.261 14.846 -2.513 1.00 74.33 N ATOM 1158 CA THR A 73 -0.275 15.667 -3.212 1.00 22.52 C ATOM 1159 C THR A 73 0.074 15.089 -4.591 1.00 44.21 C ATOM 1160 O THR A 73 0.582 15.829 -5.439 1.00 13.31 O ATOM 1161 CB THR A 73 0.963 15.850 -2.305 1.00 30.33 C ATOM 1162 OG1 THR A 73 1.915 16.742 -2.848 1.00 45.33 O ATOM 1163 CG2 THR A 73 1.692 14.548 -1.959 1.00 4.14 C ATOM 0 H THR A 73 -0.854 14.216 -1.822 1.00 74.33 H new ATOM 0 HA THR A 73 -0.699 16.651 -3.413 1.00 22.52 H new ATOM 0 HB THR A 73 0.536 16.263 -1.391 1.00 30.33 H new ATOM 0 HG1 THR A 73 2.675 16.822 -2.235 1.00 45.33 H new ATOM 0 HG21 THR A 73 2.547 14.769 -1.320 1.00 4.14 H new ATOM 0 HG22 THR A 73 1.011 13.878 -1.435 1.00 4.14 H new ATOM 0 HG23 THR A 73 2.038 14.070 -2.876 1.00 4.14 H new ATOM 1171 N ASN A 74 -0.139 13.791 -4.822 1.00 63.21 N ATOM 1172 CA ASN A 74 0.190 13.079 -6.049 1.00 43.25 C ATOM 1173 C ASN A 74 -0.679 11.825 -6.187 1.00 51.31 C ATOM 1174 O ASN A 74 -0.189 10.696 -6.065 1.00 3.52 O ATOM 1175 CB ASN A 74 1.680 12.710 -6.079 1.00 75.20 C ATOM 1176 CG ASN A 74 2.059 12.201 -7.461 1.00 75.14 C ATOM 1177 OD1 ASN A 74 1.897 12.907 -8.448 1.00 74.03 O ATOM 1178 ND2 ASN A 74 2.579 11.000 -7.594 1.00 75.44 N ATOM 0 H ASN A 74 -0.566 13.184 -4.122 1.00 63.21 H new ATOM 0 HA ASN A 74 -0.014 13.736 -6.894 1.00 43.25 H new ATOM 0 HB2 ASN A 74 2.284 13.580 -5.824 1.00 75.20 H new ATOM 0 HB3 ASN A 74 1.890 11.946 -5.330 1.00 75.20 H new ATOM 0 HD21 ASN A 74 2.846 10.659 -8.518 1.00 75.44 H new ATOM 0 HD22 ASN A 74 2.715 10.410 -6.774 1.00 75.44 H new ATOM 1185 N PRO A 75 -1.980 11.985 -6.475 1.00 22.51 N ATOM 1186 CA PRO A 75 -2.892 10.858 -6.573 1.00 4.21 C ATOM 1187 C PRO A 75 -2.499 9.895 -7.685 1.00 32.50 C ATOM 1188 O PRO A 75 -2.704 8.692 -7.554 1.00 22.20 O ATOM 1189 CB PRO A 75 -4.271 11.478 -6.839 1.00 22.54 C ATOM 1190 CG PRO A 75 -3.970 12.857 -7.422 1.00 22.41 C ATOM 1191 CD PRO A 75 -2.689 13.237 -6.688 1.00 23.34 C ATOM 0 HA PRO A 75 -2.878 10.261 -5.661 1.00 4.21 H new ATOM 0 HB2 PRO A 75 -4.850 10.872 -7.535 1.00 22.54 H new ATOM 0 HB3 PRO A 75 -4.854 11.555 -5.921 1.00 22.54 H new ATOM 0 HG2 PRO A 75 -3.826 12.821 -8.502 1.00 22.41 H new ATOM 0 HG3 PRO A 75 -4.776 13.566 -7.231 1.00 22.41 H new ATOM 0 HD2 PRO A 75 -2.090 13.932 -7.277 1.00 23.34 H new ATOM 0 HD3 PRO A 75 -2.910 13.729 -5.741 1.00 23.34 H new ATOM 1199 N GLU A 76 -1.922 10.405 -8.770 1.00 30.44 N ATOM 1200 CA GLU A 76 -1.662 9.658 -9.990 1.00 51.33 C ATOM 1201 C GLU A 76 -0.609 8.573 -9.823 1.00 14.02 C ATOM 1202 O GLU A 76 -0.594 7.600 -10.580 1.00 1.51 O ATOM 1203 CB GLU A 76 -1.154 10.651 -11.029 1.00 60.14 C ATOM 1204 CG GLU A 76 -1.383 10.114 -12.442 1.00 70.02 C ATOM 1205 CD GLU A 76 -1.483 11.263 -13.440 1.00 22.01 C ATOM 1206 OE1 GLU A 76 -2.593 11.818 -13.587 1.00 55.05 O ATOM 1207 OE2 GLU A 76 -0.489 11.600 -14.115 1.00 42.15 O ATOM 0 H GLU A 76 -1.615 11.376 -8.823 1.00 30.44 H new ATOM 0 HA GLU A 76 -2.588 9.164 -10.282 1.00 51.33 H new ATOM 0 HB2 GLU A 76 -1.667 11.605 -10.909 1.00 60.14 H new ATOM 0 HB3 GLU A 76 -0.092 10.838 -10.873 1.00 60.14 H new ATOM 0 HG2 GLU A 76 -0.565 9.451 -12.723 1.00 70.02 H new ATOM 0 HG3 GLU A 76 -2.297 9.521 -12.468 1.00 70.02 H new ATOM 1214 N GLY A 77 0.293 8.766 -8.869 1.00 3.23 N ATOM 1215 CA GLY A 77 1.329 7.806 -8.535 1.00 2.14 C ATOM 1216 C GLY A 77 0.864 6.826 -7.461 1.00 62.12 C ATOM 1217 O GLY A 77 1.177 5.638 -7.547 1.00 35.32 O ATOM 0 H GLY A 77 0.323 9.610 -8.297 1.00 3.23 H new ATOM 0 HA2 GLY A 77 1.617 7.255 -9.430 1.00 2.14 H new ATOM 0 HA3 GLY A 77 2.216 8.334 -8.186 1.00 2.14 H new ATOM 1221 N PHE A 78 0.070 7.271 -6.481 1.00 0.33 N ATOM 1222 CA PHE A 78 -0.599 6.362 -5.545 1.00 74.43 C ATOM 1223 C PHE A 78 -1.471 5.382 -6.338 1.00 42.30 C ATOM 1224 O PHE A 78 -1.413 4.179 -6.120 1.00 32.34 O ATOM 1225 CB PHE A 78 -1.420 7.178 -4.531 1.00 25.42 C ATOM 1226 CG PHE A 78 -1.951 6.382 -3.352 1.00 13.44 C ATOM 1227 CD1 PHE A 78 -3.126 5.616 -3.488 1.00 52.51 C ATOM 1228 CD2 PHE A 78 -1.290 6.429 -2.107 1.00 14.15 C ATOM 1229 CE1 PHE A 78 -3.641 4.906 -2.391 1.00 63.04 C ATOM 1230 CE2 PHE A 78 -1.789 5.693 -1.017 1.00 23.33 C ATOM 1231 CZ PHE A 78 -2.961 4.930 -1.161 1.00 70.42 C ATOM 0 H PHE A 78 -0.125 8.258 -6.316 1.00 0.33 H new ATOM 0 HA PHE A 78 0.133 5.783 -4.982 1.00 74.43 H new ATOM 0 HB2 PHE A 78 -0.800 7.990 -4.153 1.00 25.42 H new ATOM 0 HB3 PHE A 78 -2.262 7.635 -5.051 1.00 25.42 H new ATOM 0 HD1 PHE A 78 -3.633 5.575 -4.441 1.00 52.51 H new ATOM 0 HD2 PHE A 78 -0.400 7.030 -1.990 1.00 14.15 H new ATOM 0 HE1 PHE A 78 -4.557 4.343 -2.492 1.00 63.04 H new ATOM 0 HE2 PHE A 78 -1.272 5.714 -0.069 1.00 23.33 H new ATOM 0 HZ PHE A 78 -3.340 4.361 -0.325 1.00 70.42 H new ATOM 1241 N ASN A 79 -2.214 5.893 -7.322 1.00 24.44 N ATOM 1242 CA ASN A 79 -3.033 5.160 -8.269 1.00 52.25 C ATOM 1243 C ASN A 79 -2.246 4.031 -8.941 1.00 2.53 C ATOM 1244 O ASN A 79 -2.634 2.870 -8.830 1.00 74.24 O ATOM 1245 CB ASN A 79 -3.565 6.209 -9.246 1.00 24.21 C ATOM 1246 CG ASN A 79 -4.517 5.670 -10.280 1.00 52.44 C ATOM 1247 OD1 ASN A 79 -5.667 5.389 -9.967 1.00 74.13 O ATOM 1248 ND2 ASN A 79 -4.115 5.691 -11.533 1.00 50.51 N ATOM 0 H ASN A 79 -2.257 6.899 -7.483 1.00 24.44 H new ATOM 0 HA ASN A 79 -3.863 4.644 -7.786 1.00 52.25 H new ATOM 0 HB2 ASN A 79 -4.068 6.993 -8.680 1.00 24.21 H new ATOM 0 HB3 ASN A 79 -2.721 6.675 -9.755 1.00 24.21 H new ATOM 0 HD21 ASN A 79 -4.770 5.468 -12.283 1.00 50.51 H new ATOM 0 HD22 ASN A 79 -3.148 5.930 -11.755 1.00 50.51 H new ATOM 1255 N GLN A 80 -1.097 4.343 -9.555 1.00 72.42 N ATOM 1256 CA GLN A 80 -0.221 3.330 -10.142 1.00 10.14 C ATOM 1257 C GLN A 80 0.256 2.299 -9.112 1.00 70.42 C ATOM 1258 O GLN A 80 0.434 1.126 -9.452 1.00 40.14 O ATOM 1259 CB GLN A 80 1.020 3.990 -10.754 1.00 33.25 C ATOM 1260 CG GLN A 80 0.771 4.712 -12.082 1.00 13.04 C ATOM 1261 CD GLN A 80 2.068 4.771 -12.880 1.00 71.44 C ATOM 1262 OE1 GLN A 80 2.543 3.752 -13.380 1.00 13.32 O ATOM 1263 NE2 GLN A 80 2.722 5.914 -12.970 1.00 61.22 N ATOM 0 H GLN A 80 -0.754 5.298 -9.657 1.00 72.42 H new ATOM 0 HA GLN A 80 -0.811 2.820 -10.904 1.00 10.14 H new ATOM 0 HB2 GLN A 80 1.425 4.705 -10.038 1.00 33.25 H new ATOM 0 HB3 GLN A 80 1.782 3.226 -10.908 1.00 33.25 H new ATOM 0 HG2 GLN A 80 0.003 4.190 -12.653 1.00 13.04 H new ATOM 0 HG3 GLN A 80 0.400 5.720 -11.896 1.00 13.04 H new ATOM 0 HE21 GLN A 80 2.330 6.760 -12.556 1.00 61.22 H new ATOM 0 HE22 GLN A 80 3.619 5.951 -13.453 1.00 61.22 H new ATOM 1272 N LEU A 81 0.518 2.729 -7.876 1.00 23.00 N ATOM 1273 CA LEU A 81 1.062 1.867 -6.835 1.00 32.31 C ATOM 1274 C LEU A 81 0.050 0.808 -6.435 1.00 43.50 C ATOM 1275 O LEU A 81 0.402 -0.367 -6.319 1.00 4.22 O ATOM 1276 CB LEU A 81 1.432 2.683 -5.590 1.00 72.32 C ATOM 1277 CG LEU A 81 2.579 2.014 -4.817 1.00 51.13 C ATOM 1278 CD1 LEU A 81 3.673 3.015 -4.458 1.00 12.23 C ATOM 1279 CD2 LEU A 81 2.085 1.293 -3.566 1.00 23.43 C ATOM 0 H LEU A 81 0.357 3.689 -7.572 1.00 23.00 H new ATOM 0 HA LEU A 81 1.955 1.390 -7.238 1.00 32.31 H new ATOM 0 HB2 LEU A 81 1.726 3.690 -5.885 1.00 72.32 H new ATOM 0 HB3 LEU A 81 0.561 2.782 -4.943 1.00 72.32 H new ATOM 0 HG LEU A 81 3.006 1.265 -5.484 1.00 51.13 H new ATOM 0 HD11 LEU A 81 4.467 2.506 -3.912 1.00 12.23 H new ATOM 0 HD12 LEU A 81 4.081 3.451 -5.370 1.00 12.23 H new ATOM 0 HD13 LEU A 81 3.253 3.805 -3.835 1.00 12.23 H new ATOM 0 HD21 LEU A 81 2.930 0.835 -3.052 1.00 23.43 H new ATOM 0 HD22 LEU A 81 1.600 2.008 -2.901 1.00 23.43 H new ATOM 0 HD23 LEU A 81 1.371 0.520 -3.850 1.00 23.43 H new ATOM 1291 N MET A 82 -1.197 1.237 -6.233 1.00 12.45 N ATOM 1292 CA MET A 82 -2.296 0.333 -5.944 1.00 74.22 C ATOM 1293 C MET A 82 -2.439 -0.649 -7.104 1.00 74.02 C ATOM 1294 O MET A 82 -2.528 -1.857 -6.888 1.00 31.34 O ATOM 1295 CB MET A 82 -3.621 1.081 -5.729 1.00 45.33 C ATOM 1296 CG MET A 82 -3.615 2.102 -4.585 1.00 41.12 C ATOM 1297 SD MET A 82 -2.896 1.570 -3.008 1.00 21.13 S ATOM 1298 CE MET A 82 -4.207 0.492 -2.390 1.00 63.24 C ATOM 0 H MET A 82 -1.466 2.220 -6.266 1.00 12.45 H new ATOM 0 HA MET A 82 -2.071 -0.194 -5.017 1.00 74.22 H new ATOM 0 HB2 MET A 82 -3.883 1.596 -6.653 1.00 45.33 H new ATOM 0 HB3 MET A 82 -4.406 0.349 -5.538 1.00 45.33 H new ATOM 0 HG2 MET A 82 -3.073 2.986 -4.923 1.00 41.12 H new ATOM 0 HG3 MET A 82 -4.644 2.410 -4.401 1.00 41.12 H new ATOM 0 HE1 MET A 82 -4.039 0.283 -1.334 1.00 63.24 H new ATOM 0 HE2 MET A 82 -5.171 0.985 -2.513 1.00 63.24 H new ATOM 0 HE3 MET A 82 -4.203 -0.443 -2.950 1.00 63.24 H new ATOM 1308 N HIS A 83 -2.388 -0.137 -8.339 1.00 54.24 N ATOM 1309 CA HIS A 83 -2.556 -0.940 -9.536 1.00 53.15 C ATOM 1310 C HIS A 83 -1.550 -2.086 -9.605 1.00 3.33 C ATOM 1311 O HIS A 83 -1.944 -3.203 -9.912 1.00 72.44 O ATOM 1312 CB HIS A 83 -2.457 -0.061 -10.787 1.00 73.11 C ATOM 1313 CG HIS A 83 -2.915 -0.762 -12.040 1.00 2.25 C ATOM 1314 ND1 HIS A 83 -2.440 -0.546 -13.312 1.00 2.31 N ATOM 1315 CD2 HIS A 83 -3.878 -1.730 -12.120 1.00 2.14 C ATOM 1316 CE1 HIS A 83 -3.101 -1.372 -14.135 1.00 32.30 C ATOM 1317 NE2 HIS A 83 -4.008 -2.098 -13.460 1.00 75.10 N ATOM 0 H HIS A 83 -2.228 0.853 -8.528 1.00 54.24 H new ATOM 0 HA HIS A 83 -3.550 -1.386 -9.492 1.00 53.15 H new ATOM 0 HB2 HIS A 83 -3.056 0.838 -10.641 1.00 73.11 H new ATOM 0 HB3 HIS A 83 -1.424 0.262 -10.916 1.00 73.11 H new ATOM 0 HD2 HIS A 83 -4.439 -2.138 -11.292 1.00 2.14 H new ATOM 0 HE1 HIS A 83 -2.928 -1.444 -15.199 1.00 32.30 H new ATOM 0 HE2 HIS A 83 -4.660 -2.780 -13.848 1.00 75.10 H new ATOM 1325 N PHE A 84 -0.282 -1.837 -9.263 1.00 63.34 N ATOM 1326 CA PHE A 84 0.770 -2.858 -9.218 1.00 12.12 C ATOM 1327 C PHE A 84 0.363 -4.049 -8.341 1.00 42.54 C ATOM 1328 O PHE A 84 0.694 -5.200 -8.644 1.00 73.54 O ATOM 1329 CB PHE A 84 2.061 -2.227 -8.675 1.00 2.42 C ATOM 1330 CG PHE A 84 3.238 -3.164 -8.459 1.00 52.31 C ATOM 1331 CD1 PHE A 84 3.288 -4.011 -7.333 1.00 2.05 C ATOM 1332 CD2 PHE A 84 4.328 -3.133 -9.348 1.00 35.15 C ATOM 1333 CE1 PHE A 84 4.408 -4.828 -7.113 1.00 72.01 C ATOM 1334 CE2 PHE A 84 5.460 -3.929 -9.109 1.00 1.01 C ATOM 1335 CZ PHE A 84 5.497 -4.778 -7.995 1.00 33.35 C ATOM 0 H PHE A 84 0.048 -0.907 -9.006 1.00 63.34 H new ATOM 0 HA PHE A 84 0.931 -3.232 -10.229 1.00 12.12 H new ATOM 0 HB2 PHE A 84 2.373 -1.442 -9.364 1.00 2.42 H new ATOM 0 HB3 PHE A 84 1.831 -1.744 -7.725 1.00 2.42 H new ATOM 0 HD1 PHE A 84 2.462 -4.031 -6.638 1.00 2.05 H new ATOM 0 HD2 PHE A 84 4.294 -2.494 -10.218 1.00 35.15 H new ATOM 0 HE1 PHE A 84 4.431 -5.495 -6.264 1.00 72.01 H new ATOM 0 HE2 PHE A 84 6.302 -3.887 -9.784 1.00 1.01 H new ATOM 0 HZ PHE A 84 6.365 -5.395 -7.815 1.00 33.35 H new ATOM 1345 N ALA A 85 -0.311 -3.782 -7.220 1.00 70.43 N ATOM 1346 CA ALA A 85 -0.720 -4.829 -6.305 1.00 1.14 C ATOM 1347 C ALA A 85 -1.813 -5.686 -6.927 1.00 10.02 C ATOM 1348 O ALA A 85 -1.707 -6.917 -6.928 1.00 2.31 O ATOM 1349 CB ALA A 85 -1.157 -4.224 -4.975 1.00 51.03 C ATOM 0 H ALA A 85 -0.582 -2.842 -6.931 1.00 70.43 H new ATOM 0 HA ALA A 85 0.130 -5.483 -6.108 1.00 1.14 H new ATOM 0 HB1 ALA A 85 -1.462 -5.020 -4.296 1.00 51.03 H new ATOM 0 HB2 ALA A 85 -0.326 -3.671 -4.536 1.00 51.03 H new ATOM 0 HB3 ALA A 85 -1.995 -3.548 -5.141 1.00 51.03 H new ATOM 1355 N THR A 86 -2.836 -5.038 -7.477 1.00 11.21 N ATOM 1356 CA THR A 86 -3.904 -5.693 -8.209 1.00 43.03 C ATOM 1357 C THR A 86 -3.336 -6.482 -9.396 1.00 3.35 C ATOM 1358 O THR A 86 -3.789 -7.592 -9.667 1.00 35.23 O ATOM 1359 CB THR A 86 -4.900 -4.607 -8.657 1.00 14.43 C ATOM 1360 OG1 THR A 86 -5.347 -3.850 -7.538 1.00 74.22 O ATOM 1361 CG2 THR A 86 -6.117 -5.172 -9.384 1.00 61.31 C ATOM 0 H THR A 86 -2.943 -4.025 -7.423 1.00 11.21 H new ATOM 0 HA THR A 86 -4.421 -6.416 -7.578 1.00 43.03 H new ATOM 0 HB THR A 86 -4.357 -3.973 -9.358 1.00 14.43 H new ATOM 0 HG1 THR A 86 -5.978 -3.163 -7.839 1.00 74.22 H new ATOM 0 HG21 THR A 86 -6.779 -4.356 -9.673 1.00 61.31 H new ATOM 0 HG22 THR A 86 -5.792 -5.708 -10.275 1.00 61.31 H new ATOM 0 HG23 THR A 86 -6.650 -5.856 -8.724 1.00 61.31 H new ATOM 1369 N GLU A 87 -2.322 -5.952 -10.079 1.00 33.01 N ATOM 1370 CA GLU A 87 -1.689 -6.586 -11.219 1.00 75.34 C ATOM 1371 C GLU A 87 -1.144 -7.946 -10.805 1.00 72.43 C ATOM 1372 O GLU A 87 -1.578 -8.961 -11.352 1.00 33.45 O ATOM 1373 CB GLU A 87 -0.565 -5.694 -11.791 1.00 34.52 C ATOM 1374 CG GLU A 87 -0.986 -4.897 -13.028 1.00 53.11 C ATOM 1375 CD GLU A 87 -1.526 -5.787 -14.149 1.00 50.25 C ATOM 1376 OE1 GLU A 87 -1.047 -6.927 -14.320 1.00 71.24 O ATOM 1377 OE2 GLU A 87 -2.504 -5.341 -14.791 1.00 44.14 O ATOM 0 H GLU A 87 -1.913 -5.048 -9.844 1.00 33.01 H new ATOM 0 HA GLU A 87 -2.431 -6.725 -12.005 1.00 75.34 H new ATOM 0 HB2 GLU A 87 -0.233 -5.001 -11.018 1.00 34.52 H new ATOM 0 HB3 GLU A 87 0.290 -6.320 -12.046 1.00 34.52 H new ATOM 0 HG2 GLU A 87 -1.750 -4.172 -12.745 1.00 53.11 H new ATOM 0 HG3 GLU A 87 -0.131 -4.331 -13.399 1.00 53.11 H new ATOM 1384 N ASN A 88 -0.229 -8.014 -9.829 1.00 52.22 N ATOM 1385 CA ASN A 88 0.487 -9.263 -9.629 1.00 1.25 C ATOM 1386 C ASN A 88 -0.294 -10.172 -8.678 1.00 42.14 C ATOM 1387 O ASN A 88 0.079 -11.328 -8.494 1.00 33.22 O ATOM 1388 CB ASN A 88 1.886 -8.906 -9.159 1.00 24.43 C ATOM 1389 CG ASN A 88 2.649 -8.099 -10.200 1.00 3.42 C ATOM 1390 OD1 ASN A 88 3.056 -8.605 -11.242 1.00 10.01 O ATOM 1391 ND2 ASN A 88 2.836 -6.806 -9.959 1.00 21.50 N ATOM 0 H ASN A 88 0.020 -7.253 -9.197 1.00 52.22 H new ATOM 0 HA ASN A 88 0.582 -9.842 -10.548 1.00 1.25 H new ATOM 0 HB2 ASN A 88 1.822 -8.335 -8.233 1.00 24.43 H new ATOM 0 HB3 ASN A 88 2.437 -9.819 -8.933 1.00 24.43 H new ATOM 0 HD21 ASN A 88 3.321 -6.225 -10.642 1.00 21.50 H new ATOM 0 HD22 ASN A 88 2.494 -6.394 -9.091 1.00 21.50 H new ATOM 1398 N GLN A 89 -1.400 -9.660 -8.119 1.00 24.30 N ATOM 1399 CA GLN A 89 -2.358 -10.291 -7.214 1.00 55.33 C ATOM 1400 C GLN A 89 -1.779 -10.400 -5.808 1.00 71.43 C ATOM 1401 O GLN A 89 -2.010 -11.380 -5.096 1.00 41.14 O ATOM 1402 CB GLN A 89 -2.856 -11.649 -7.733 1.00 41.43 C ATOM 1403 CG GLN A 89 -3.566 -11.586 -9.086 1.00 24.43 C ATOM 1404 CD GLN A 89 -5.012 -11.124 -8.939 1.00 22.21 C ATOM 1405 OE1 GLN A 89 -5.894 -11.928 -8.667 1.00 31.35 O ATOM 1406 NE2 GLN A 89 -5.305 -9.845 -9.069 1.00 33.04 N ATOM 0 H GLN A 89 -1.668 -8.695 -8.313 1.00 24.30 H new ATOM 0 HA GLN A 89 -3.235 -9.646 -7.171 1.00 55.33 H new ATOM 0 HB2 GLN A 89 -2.007 -12.327 -7.813 1.00 41.43 H new ATOM 0 HB3 GLN A 89 -3.538 -12.077 -6.998 1.00 41.43 H new ATOM 0 HG2 GLN A 89 -3.031 -10.904 -9.747 1.00 24.43 H new ATOM 0 HG3 GLN A 89 -3.543 -12.569 -9.556 1.00 24.43 H new ATOM 0 HE21 GLN A 89 -4.571 -9.174 -9.296 1.00 33.04 H new ATOM 0 HE22 GLN A 89 -6.266 -9.527 -8.943 1.00 33.04 H new ATOM 1415 N LEU A 90 -0.968 -9.422 -5.406 1.00 62.22 N ATOM 1416 CA LEU A 90 -0.396 -9.377 -4.093 1.00 64.52 C ATOM 1417 C LEU A 90 -1.428 -9.012 -3.052 1.00 31.22 C ATOM 1418 O LEU A 90 -2.415 -8.334 -3.342 1.00 24.22 O ATOM 1419 CB LEU A 90 0.711 -8.338 -4.100 1.00 31.41 C ATOM 1420 CG LEU A 90 1.684 -8.511 -5.275 1.00 23.44 C ATOM 1421 CD1 LEU A 90 1.926 -9.908 -5.863 1.00 32.13 C ATOM 1422 CD2 LEU A 90 1.825 -7.258 -6.114 1.00 44.24 C ATOM 0 H LEU A 90 -0.697 -8.639 -6.001 1.00 62.22 H new ATOM 0 HA LEU A 90 -0.007 -10.363 -3.838 1.00 64.52 H new ATOM 0 HB2 LEU A 90 0.268 -7.343 -4.145 1.00 31.41 H new ATOM 0 HB3 LEU A 90 1.265 -8.399 -3.164 1.00 31.41 H new ATOM 0 HG LEU A 90 2.676 -8.588 -4.830 1.00 23.44 H new ATOM 0 HD11 LEU A 90 2.641 -9.839 -6.683 1.00 32.13 H new ATOM 0 HD12 LEU A 90 2.324 -10.564 -5.089 1.00 32.13 H new ATOM 0 HD13 LEU A 90 0.985 -10.314 -6.235 1.00 32.13 H new ATOM 0 HD21 LEU A 90 2.525 -7.442 -6.929 1.00 44.24 H new ATOM 0 HD22 LEU A 90 0.854 -6.985 -6.526 1.00 44.24 H new ATOM 0 HD23 LEU A 90 2.198 -6.444 -5.492 1.00 44.24 H new ATOM 1434 N ASN A 91 -1.137 -9.411 -1.823 1.00 23.31 N ATOM 1435 CA ASN A 91 -1.973 -9.079 -0.692 1.00 32.13 C ATOM 1436 C ASN A 91 -1.797 -7.589 -0.389 1.00 40.42 C ATOM 1437 O ASN A 91 -0.737 -7.168 0.074 1.00 71.10 O ATOM 1438 CB ASN A 91 -1.602 -9.985 0.493 1.00 63.14 C ATOM 1439 CG ASN A 91 -2.785 -10.261 1.412 1.00 51.25 C ATOM 1440 OD1 ASN A 91 -3.885 -9.763 1.209 1.00 60.21 O ATOM 1441 ND2 ASN A 91 -2.600 -11.059 2.447 1.00 75.25 N ATOM 0 H ASN A 91 -0.318 -9.971 -1.588 1.00 23.31 H new ATOM 0 HA ASN A 91 -3.028 -9.253 -0.902 1.00 32.13 H new ATOM 0 HB2 ASN A 91 -1.212 -10.930 0.115 1.00 63.14 H new ATOM 0 HB3 ASN A 91 -0.802 -9.517 1.067 1.00 63.14 H new ATOM 0 HD21 ASN A 91 -3.374 -11.262 3.079 1.00 75.25 H new ATOM 0 HD22 ASN A 91 -1.683 -11.473 2.614 1.00 75.25 H new ATOM 1448 N ILE A 92 -2.780 -6.753 -0.711 1.00 51.21 N ATOM 1449 CA ILE A 92 -2.841 -5.391 -0.189 1.00 13.23 C ATOM 1450 C ILE A 92 -3.192 -5.563 1.285 1.00 13.05 C ATOM 1451 O ILE A 92 -4.271 -6.091 1.587 1.00 4.24 O ATOM 1452 CB ILE A 92 -3.888 -4.521 -0.922 1.00 72.14 C ATOM 1453 CG1 ILE A 92 -3.603 -4.493 -2.438 1.00 22.53 C ATOM 1454 CG2 ILE A 92 -3.883 -3.086 -0.351 1.00 34.25 C ATOM 1455 CD1 ILE A 92 -4.672 -3.764 -3.252 1.00 13.14 C ATOM 0 H ILE A 92 -3.549 -6.997 -1.335 1.00 51.21 H new ATOM 0 HA ILE A 92 -1.898 -4.865 -0.336 1.00 13.23 H new ATOM 0 HB ILE A 92 -4.873 -4.959 -0.764 1.00 72.14 H new ATOM 0 HG12 ILE A 92 -2.639 -4.013 -2.609 1.00 22.53 H new ATOM 0 HG13 ILE A 92 -3.518 -5.517 -2.801 1.00 22.53 H new ATOM 0 HG21 ILE A 92 -4.624 -2.483 -0.875 1.00 34.25 H new ATOM 0 HG22 ILE A 92 -4.125 -3.116 0.711 1.00 34.25 H new ATOM 0 HG23 ILE A 92 -2.896 -2.644 -0.485 1.00 34.25 H new ATOM 0 HD11 ILE A 92 -4.403 -3.786 -4.308 1.00 13.14 H new ATOM 0 HD12 ILE A 92 -5.634 -4.256 -3.113 1.00 13.14 H new ATOM 0 HD13 ILE A 92 -4.742 -2.729 -2.917 1.00 13.14 H new ATOM 1467 N LEU A 93 -2.286 -5.168 2.179 1.00 34.41 N ATOM 1468 CA LEU A 93 -2.588 -5.007 3.587 1.00 11.42 C ATOM 1469 C LEU A 93 -2.791 -3.527 3.876 1.00 13.32 C ATOM 1470 O LEU A 93 -2.311 -2.649 3.154 1.00 64.03 O ATOM 1471 CB LEU A 93 -1.461 -5.557 4.475 1.00 50.01 C ATOM 1472 CG LEU A 93 -1.530 -7.050 4.813 1.00 30.12 C ATOM 1473 CD1 LEU A 93 -1.957 -7.983 3.686 1.00 1.22 C ATOM 1474 CD2 LEU A 93 -0.155 -7.464 5.327 1.00 23.11 C ATOM 0 H LEU A 93 -1.319 -4.951 1.938 1.00 34.41 H new ATOM 0 HA LEU A 93 -3.493 -5.571 3.815 1.00 11.42 H new ATOM 0 HB2 LEU A 93 -0.510 -5.362 3.980 1.00 50.01 H new ATOM 0 HB3 LEU A 93 -1.456 -4.995 5.409 1.00 50.01 H new ATOM 0 HG LEU A 93 -2.322 -7.158 5.554 1.00 30.12 H new ATOM 0 HD11 LEU A 93 -1.967 -9.011 4.049 1.00 1.22 H new ATOM 0 HD12 LEU A 93 -2.955 -7.709 3.345 1.00 1.22 H new ATOM 0 HD13 LEU A 93 -1.254 -7.898 2.857 1.00 1.22 H new ATOM 0 HD21 LEU A 93 -0.165 -8.524 5.579 1.00 23.11 H new ATOM 0 HD22 LEU A 93 0.592 -7.281 4.555 1.00 23.11 H new ATOM 0 HD23 LEU A 93 0.092 -6.882 6.215 1.00 23.11 H new ATOM 1486 N ASP A 94 -3.469 -3.278 4.985 1.00 2.12 N ATOM 1487 CA ASP A 94 -3.707 -1.955 5.543 1.00 1.33 C ATOM 1488 C ASP A 94 -2.667 -1.686 6.616 1.00 65.13 C ATOM 1489 O ASP A 94 -1.779 -2.511 6.862 1.00 22.30 O ATOM 1490 CB ASP A 94 -5.122 -1.861 6.136 1.00 31.03 C ATOM 1491 CG ASP A 94 -5.746 -0.473 6.066 1.00 40.41 C ATOM 1492 OD1 ASP A 94 -5.020 0.467 5.699 1.00 30.24 O ATOM 1493 OD2 ASP A 94 -6.958 -0.337 6.349 1.00 42.50 O ATOM 0 H ASP A 94 -3.886 -4.022 5.544 1.00 2.12 H new ATOM 0 HA ASP A 94 -3.627 -1.208 4.753 1.00 1.33 H new ATOM 0 HB2 ASP A 94 -5.769 -2.563 5.611 1.00 31.03 H new ATOM 0 HB3 ASP A 94 -5.087 -2.178 7.178 1.00 31.03 H new ATOM 1498 N ALA A 95 -2.796 -0.560 7.302 1.00 14.40 N ATOM 1499 CA ALA A 95 -1.759 -0.116 8.251 1.00 2.02 C ATOM 1500 C ALA A 95 -1.576 -1.064 9.433 1.00 31.41 C ATOM 1501 O ALA A 95 -0.532 -1.040 10.088 1.00 52.03 O ATOM 1502 CB ALA A 95 -2.024 1.276 8.831 1.00 33.53 C ATOM 0 H ALA A 95 -3.598 0.066 7.228 1.00 14.40 H new ATOM 0 HA ALA A 95 -0.855 -0.100 7.642 1.00 2.02 H new ATOM 0 HB1 ALA A 95 -1.223 1.541 9.521 1.00 33.53 H new ATOM 0 HB2 ALA A 95 -2.062 2.006 8.022 1.00 33.53 H new ATOM 0 HB3 ALA A 95 -2.975 1.273 9.363 1.00 33.53 H new ATOM 1508 N GLU A 96 -2.580 -1.871 9.766 1.00 2.42 N ATOM 1509 CA GLU A 96 -2.450 -2.898 10.789 1.00 22.42 C ATOM 1510 C GLU A 96 -1.705 -4.118 10.241 1.00 34.11 C ATOM 1511 O GLU A 96 -0.742 -4.577 10.851 1.00 61.31 O ATOM 1512 CB GLU A 96 -3.846 -3.263 11.311 1.00 3.11 C ATOM 1513 CG GLU A 96 -4.297 -2.240 12.368 1.00 31.44 C ATOM 1514 CD GLU A 96 -5.494 -2.740 13.176 1.00 70.31 C ATOM 1515 OE1 GLU A 96 -6.488 -3.193 12.568 1.00 23.12 O ATOM 1516 OE2 GLU A 96 -5.456 -2.698 14.428 1.00 41.43 O ATOM 0 H GLU A 96 -3.503 -1.830 9.334 1.00 2.42 H new ATOM 0 HA GLU A 96 -1.858 -2.518 11.622 1.00 22.42 H new ATOM 0 HB2 GLU A 96 -4.558 -3.283 10.486 1.00 3.11 H new ATOM 0 HB3 GLU A 96 -3.831 -4.263 11.744 1.00 3.11 H new ATOM 0 HG2 GLU A 96 -3.468 -2.027 13.043 1.00 31.44 H new ATOM 0 HG3 GLU A 96 -4.558 -1.302 11.877 1.00 31.44 H new ATOM 1523 N GLY A 97 -2.108 -4.616 9.074 1.00 54.35 N ATOM 1524 CA GLY A 97 -1.802 -5.973 8.616 1.00 21.44 C ATOM 1525 C GLY A 97 -3.045 -6.762 8.216 1.00 23.43 C ATOM 1526 O GLY A 97 -2.951 -7.947 7.885 1.00 65.14 O ATOM 0 H GLY A 97 -2.665 -4.081 8.408 1.00 54.35 H new ATOM 0 HA2 GLY A 97 -1.123 -5.919 7.765 1.00 21.44 H new ATOM 0 HA3 GLY A 97 -1.278 -6.508 9.408 1.00 21.44 H new ATOM 1530 N ASN A 98 -4.203 -6.108 8.221 1.00 53.31 N ATOM 1531 CA ASN A 98 -5.453 -6.618 7.676 1.00 30.51 C ATOM 1532 C ASN A 98 -5.330 -6.585 6.169 1.00 51.31 C ATOM 1533 O ASN A 98 -4.949 -5.544 5.638 1.00 21.34 O ATOM 1534 CB ASN A 98 -6.617 -5.701 8.077 1.00 24.35 C ATOM 1535 CG ASN A 98 -6.659 -5.487 9.577 1.00 35.40 C ATOM 1536 OD1 ASN A 98 -6.349 -6.400 10.331 1.00 34.22 O ATOM 1537 ND2 ASN A 98 -6.954 -4.285 10.037 1.00 73.42 N ATOM 0 H ASN A 98 -4.298 -5.174 8.620 1.00 53.31 H new ATOM 0 HA ASN A 98 -5.642 -7.624 8.051 1.00 30.51 H new ATOM 0 HB2 ASN A 98 -6.515 -4.740 7.573 1.00 24.35 H new ATOM 0 HB3 ASN A 98 -7.558 -6.138 7.743 1.00 24.35 H new ATOM 0 HD21 ASN A 98 -6.926 -4.102 11.040 1.00 73.42 H new ATOM 0 HD22 ASN A 98 -7.210 -3.540 9.389 1.00 73.42 H new ATOM 1544 N SER A 99 -5.650 -7.671 5.482 1.00 74.12 N ATOM 1545 CA SER A 99 -5.882 -7.642 4.052 1.00 74.34 C ATOM 1546 C SER A 99 -7.176 -6.862 3.766 1.00 22.35 C ATOM 1547 O SER A 99 -8.160 -6.992 4.503 1.00 41.14 O ATOM 1548 CB SER A 99 -5.889 -9.065 3.499 1.00 20.24 C ATOM 1549 OG SER A 99 -6.482 -10.003 4.377 1.00 5.15 O ATOM 0 H SER A 99 -5.755 -8.594 5.902 1.00 74.12 H new ATOM 0 HA SER A 99 -5.076 -7.119 3.537 1.00 74.34 H new ATOM 0 HB2 SER A 99 -6.425 -9.076 2.550 1.00 20.24 H new ATOM 0 HB3 SER A 99 -4.864 -9.371 3.289 1.00 20.24 H new ATOM 0 HG SER A 99 -6.459 -10.894 3.969 1.00 5.15 H new ATOM 1555 N ILE A 100 -7.144 -6.045 2.714 1.00 4.51 N ATOM 1556 CA ILE A 100 -8.156 -5.088 2.256 1.00 63.22 C ATOM 1557 C ILE A 100 -8.082 -5.026 0.715 1.00 24.04 C ATOM 1558 O ILE A 100 -7.357 -5.802 0.090 1.00 64.10 O ATOM 1559 CB ILE A 100 -7.901 -3.710 2.919 1.00 5.33 C ATOM 1560 CG1 ILE A 100 -6.436 -3.244 2.757 1.00 45.54 C ATOM 1561 CG2 ILE A 100 -8.294 -3.722 4.409 1.00 54.14 C ATOM 1562 CD1 ILE A 100 -6.318 -1.721 2.719 1.00 11.54 C ATOM 0 H ILE A 100 -6.330 -6.034 2.100 1.00 4.51 H new ATOM 0 HA ILE A 100 -9.161 -5.396 2.543 1.00 63.22 H new ATOM 0 HB ILE A 100 -8.536 -2.994 2.397 1.00 5.33 H new ATOM 0 HG12 ILE A 100 -5.839 -3.633 3.582 1.00 45.54 H new ATOM 0 HG13 ILE A 100 -6.022 -3.662 1.839 1.00 45.54 H new ATOM 0 HG21 ILE A 100 -8.103 -2.741 4.844 1.00 54.14 H new ATOM 0 HG22 ILE A 100 -9.353 -3.961 4.504 1.00 54.14 H new ATOM 0 HG23 ILE A 100 -7.704 -4.473 4.935 1.00 54.14 H new ATOM 0 HD11 ILE A 100 -5.271 -1.440 2.604 1.00 11.54 H new ATOM 0 HD12 ILE A 100 -6.892 -1.332 1.878 1.00 11.54 H new ATOM 0 HD13 ILE A 100 -6.706 -1.303 3.648 1.00 11.54 H new ATOM 1574 N ASP A 101 -8.823 -4.123 0.072 1.00 23.31 N ATOM 1575 CA ASP A 101 -8.767 -3.859 -1.369 1.00 63.33 C ATOM 1576 C ASP A 101 -8.348 -2.415 -1.557 1.00 63.13 C ATOM 1577 O ASP A 101 -8.576 -1.590 -0.675 1.00 63.03 O ATOM 1578 CB ASP A 101 -10.144 -4.014 -2.020 1.00 60.25 C ATOM 1579 CG ASP A 101 -10.465 -5.452 -2.395 1.00 41.24 C ATOM 1580 OD1 ASP A 101 -9.954 -5.900 -3.445 1.00 60.45 O ATOM 1581 OD2 ASP A 101 -11.230 -6.110 -1.660 1.00 70.02 O ATOM 0 H ASP A 101 -9.502 -3.535 0.555 1.00 23.31 H new ATOM 0 HA ASP A 101 -8.072 -4.565 -1.825 1.00 63.33 H new ATOM 0 HB2 ASP A 101 -10.907 -3.644 -1.335 1.00 60.25 H new ATOM 0 HB3 ASP A 101 -10.189 -3.392 -2.914 1.00 60.25 H new ATOM 1586 N ALA A 102 -7.844 -2.076 -2.742 1.00 42.10 N ATOM 1587 CA ALA A 102 -7.481 -0.698 -3.059 1.00 10.24 C ATOM 1588 C ALA A 102 -8.706 0.215 -3.072 1.00 34.41 C ATOM 1589 O ALA A 102 -8.599 1.383 -2.716 1.00 14.51 O ATOM 1590 CB ALA A 102 -6.752 -0.611 -4.401 1.00 12.32 C ATOM 0 H ALA A 102 -7.678 -2.739 -3.499 1.00 42.10 H new ATOM 0 HA ALA A 102 -6.807 -0.358 -2.273 1.00 10.24 H new ATOM 0 HB1 ALA A 102 -6.495 0.428 -4.609 1.00 12.32 H new ATOM 0 HB2 ALA A 102 -5.841 -1.209 -4.360 1.00 12.32 H new ATOM 0 HB3 ALA A 102 -7.399 -0.990 -5.192 1.00 12.32 H new ATOM 1596 N ALA A 103 -9.875 -0.324 -3.425 1.00 0.24 N ATOM 1597 CA ALA A 103 -11.151 0.373 -3.379 1.00 13.54 C ATOM 1598 C ALA A 103 -11.402 1.007 -2.013 1.00 73.54 C ATOM 1599 O ALA A 103 -11.920 2.117 -1.912 1.00 4.35 O ATOM 1600 CB ALA A 103 -12.251 -0.646 -3.673 1.00 52.44 C ATOM 0 H ALA A 103 -9.956 -1.284 -3.759 1.00 0.24 H new ATOM 0 HA ALA A 103 -11.143 1.176 -4.116 1.00 13.54 H new ATOM 0 HB1 ALA A 103 -13.222 -0.151 -3.645 1.00 52.44 H new ATOM 0 HB2 ALA A 103 -12.092 -1.078 -4.661 1.00 52.44 H new ATOM 0 HB3 ALA A 103 -12.225 -1.436 -2.923 1.00 52.44 H new ATOM 1606 N GLN A 104 -11.019 0.282 -0.966 1.00 63.32 N ATOM 1607 CA GLN A 104 -11.268 0.612 0.422 1.00 12.04 C ATOM 1608 C GLN A 104 -10.246 1.640 0.940 1.00 4.10 C ATOM 1609 O GLN A 104 -10.237 1.935 2.129 1.00 63.31 O ATOM 1610 CB GLN A 104 -11.256 -0.701 1.226 1.00 34.50 C ATOM 1611 CG GLN A 104 -12.279 -1.748 0.719 1.00 43.41 C ATOM 1612 CD GLN A 104 -13.462 -1.929 1.660 1.00 51.54 C ATOM 1613 OE1 GLN A 104 -14.577 -1.475 1.398 1.00 4.42 O ATOM 1614 NE2 GLN A 104 -13.232 -2.613 2.766 1.00 70.21 N ATOM 0 H GLN A 104 -10.503 -0.591 -1.074 1.00 63.32 H new ATOM 0 HA GLN A 104 -12.242 1.088 0.537 1.00 12.04 H new ATOM 0 HB2 GLN A 104 -10.256 -1.133 1.185 1.00 34.50 H new ATOM 0 HB3 GLN A 104 -11.465 -0.478 2.272 1.00 34.50 H new ATOM 0 HG2 GLN A 104 -12.645 -1.444 -0.262 1.00 43.41 H new ATOM 0 HG3 GLN A 104 -11.776 -2.706 0.589 1.00 43.41 H new ATOM 0 HE21 GLN A 104 -12.298 -2.977 2.956 1.00 70.21 H new ATOM 0 HE22 GLN A 104 -13.988 -2.778 3.430 1.00 70.21 H new ATOM 1623 N VAL A 105 -9.399 2.194 0.065 1.00 64.24 N ATOM 1624 CA VAL A 105 -8.315 3.131 0.379 1.00 55.13 C ATOM 1625 C VAL A 105 -8.507 4.430 -0.422 1.00 32.15 C ATOM 1626 O VAL A 105 -7.984 5.487 -0.077 1.00 63.24 O ATOM 1627 CB VAL A 105 -6.978 2.450 0.002 1.00 71.12 C ATOM 1628 CG1 VAL A 105 -5.736 3.278 0.332 1.00 23.32 C ATOM 1629 CG2 VAL A 105 -6.784 1.086 0.672 1.00 23.40 C ATOM 0 H VAL A 105 -9.454 1.990 -0.933 1.00 64.24 H new ATOM 0 HA VAL A 105 -8.315 3.385 1.439 1.00 55.13 H new ATOM 0 HB VAL A 105 -7.068 2.340 -1.079 1.00 71.12 H new ATOM 0 HG11 VAL A 105 -4.843 2.728 0.036 1.00 23.32 H new ATOM 0 HG12 VAL A 105 -5.775 4.224 -0.208 1.00 23.32 H new ATOM 0 HG13 VAL A 105 -5.703 3.473 1.404 1.00 23.32 H new ATOM 0 HG21 VAL A 105 -5.827 0.663 0.366 1.00 23.40 H new ATOM 0 HG22 VAL A 105 -6.797 1.208 1.755 1.00 23.40 H new ATOM 0 HG23 VAL A 105 -7.590 0.416 0.373 1.00 23.40 H new ATOM 1639 N THR A 106 -9.280 4.384 -1.503 1.00 40.42 N ATOM 1640 CA THR A 106 -9.390 5.413 -2.519 1.00 14.34 C ATOM 1641 C THR A 106 -10.614 6.245 -2.189 1.00 23.43 C ATOM 1642 O THR A 106 -11.593 6.330 -2.932 1.00 24.04 O ATOM 1643 CB THR A 106 -9.346 4.789 -3.918 1.00 11.14 C ATOM 1644 OG1 THR A 106 -10.227 3.684 -4.036 1.00 22.41 O ATOM 1645 CG2 THR A 106 -7.915 4.317 -4.178 1.00 25.42 C ATOM 0 H THR A 106 -9.877 3.581 -1.700 1.00 40.42 H new ATOM 0 HA THR A 106 -8.542 6.098 -2.525 1.00 14.34 H new ATOM 0 HB THR A 106 -9.661 5.538 -4.644 1.00 11.14 H new ATOM 0 HG1 THR A 106 -9.815 2.892 -3.632 1.00 22.41 H new ATOM 0 HG21 THR A 106 -7.855 3.868 -5.169 1.00 25.42 H new ATOM 0 HG22 THR A 106 -7.236 5.168 -4.123 1.00 25.42 H new ATOM 0 HG23 THR A 106 -7.633 3.579 -3.427 1.00 25.42 H new