USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 587 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 27 GLN : amide:sc= -0.19 X(o=-2.4,f=-2.9) USER MOD Set 1.2: A 41 GLN : amide:sc= -2.25 X(o=-2.4,f=-2.9) USER MOD Set 2.1: A 18 SER OG : rot 180:sc= 0.399 USER MOD Set 2.2: A 21 THR OG1 : rot 38:sc= 1.19 USER MOD Single : A 1 TRP N :NH3+ -138:sc= 1.21 (180deg=0.934) USER MOD Single : A 5 CYS SG : rot 50:sc= -1.72! USER MOD Single : A 6 LYS NZ :NH3+ -110:sc= 0.181 (180deg=-0.105) USER MOD Single : A 11 THR OG1 : rot 29:sc= 0.196 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.324 F(o=-0.84,f=-0.32) USER MOD Single : A 19 SER OG : rot 180:sc= -0.382 USER MOD Single : A 29 GLN : amide:sc= -0.431 K(o=-0.43,f=-1.3) USER MOD Single : A 34 THR OG1 : rot -28:sc= 0.284 USER MOD Single : A 40 SER OG : rot 4:sc= 0.115 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -34:sc= 0.518 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.174 USER MOD Single : A 71 MET CE :methyl -153:sc= -2.54! (180deg=-3.02!) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.431 0.362 -0.525 1.00 0.00 N ATOM 2 CA TRP A 1 2.263 0.343 -1.739 1.00 0.00 C ATOM 3 C TRP A 1 3.704 -0.035 -1.372 1.00 0.00 C ATOM 4 O TRP A 1 4.436 0.781 -0.798 1.00 0.00 O ATOM 5 CB TRP A 1 2.215 1.718 -2.469 1.00 0.00 C ATOM 6 CG TRP A 1 0.920 2.024 -3.195 1.00 0.00 C ATOM 7 CD1 TRP A 1 -0.288 1.392 -3.070 1.00 0.00 C ATOM 8 CD2 TRP A 1 0.732 3.048 -4.174 1.00 0.00 C ATOM 9 NE1 TRP A 1 -1.205 1.960 -3.913 1.00 0.00 N ATOM 10 CE2 TRP A 1 -0.605 2.982 -4.598 1.00 0.00 C ATOM 11 CE3 TRP A 1 1.571 4.017 -4.730 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -1.122 3.841 -5.560 1.00 0.00 C ATOM 13 CZ3 TRP A 1 1.054 4.870 -5.676 1.00 0.00 C ATOM 14 CH2 TRP A 1 -0.280 4.785 -6.084 1.00 0.00 C ATOM 0 H1 TRP A 1 0.512 -0.080 -0.727 1.00 0.00 H new ATOM 0 H2 TRP A 1 1.910 -0.166 0.232 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.283 1.346 -0.221 1.00 0.00 H new ATOM 0 HA TRP A 1 1.867 -0.406 -2.425 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.396 2.505 -1.737 1.00 0.00 H new ATOM 0 HB3 TRP A 1 3.033 1.757 -3.188 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -0.488 0.566 -2.404 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -2.177 1.669 -4.014 1.00 0.00 H new ATOM 0 HE3 TRP A 1 2.604 4.094 -4.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -2.150 3.767 -5.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 1.693 5.623 -6.114 1.00 0.00 H new ATOM 0 HH2 TRP A 1 -0.653 5.476 -6.825 1.00 0.00 H new ATOM 27 N ARG A 2 4.096 -1.284 -1.692 1.00 0.00 N ATOM 28 CA ARG A 2 5.453 -1.791 -1.428 1.00 0.00 C ATOM 29 C ARG A 2 6.400 -1.355 -2.571 1.00 0.00 C ATOM 30 O ARG A 2 6.813 -2.146 -3.426 1.00 0.00 O ATOM 31 CB ARG A 2 5.424 -3.340 -1.224 1.00 0.00 C ATOM 32 CG ARG A 2 4.832 -4.168 -2.397 1.00 0.00 C ATOM 33 CD ARG A 2 4.937 -5.679 -2.160 1.00 0.00 C ATOM 34 NE ARG A 2 4.475 -6.467 -3.324 1.00 0.00 N ATOM 35 CZ ARG A 2 4.997 -7.643 -3.712 1.00 0.00 C ATOM 36 NH1 ARG A 2 6.066 -8.142 -3.104 1.00 0.00 N ATOM 37 NH2 ARG A 2 4.474 -8.294 -4.737 1.00 0.00 N ATOM 0 H ARG A 2 3.482 -1.965 -2.139 1.00 0.00 H new ATOM 0 HA ARG A 2 5.838 -1.362 -0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.443 -3.682 -1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.848 -3.558 -0.324 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.785 -3.897 -2.537 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.354 -3.911 -3.319 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.972 -5.938 -1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.346 -5.948 -1.285 1.00 0.00 H new ATOM 0 HE ARG A 2 3.703 -6.089 -3.873 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.499 -7.632 -2.334 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.454 -9.035 -3.406 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.673 -7.904 -5.234 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.871 -9.186 -5.031 1.00 0.00 H new ATOM 51 N VAL A 3 6.731 -0.063 -2.579 1.00 0.00 N ATOM 52 CA VAL A 3 7.482 0.573 -3.677 1.00 0.00 C ATOM 53 C VAL A 3 8.993 0.305 -3.542 1.00 0.00 C ATOM 54 O VAL A 3 9.560 0.465 -2.462 1.00 0.00 O ATOM 55 CB VAL A 3 7.195 2.107 -3.694 1.00 0.00 C ATOM 56 CG1 VAL A 3 7.990 2.832 -4.798 1.00 0.00 C ATOM 57 CG2 VAL A 3 5.674 2.369 -3.828 1.00 0.00 C ATOM 0 H VAL A 3 6.488 0.579 -1.825 1.00 0.00 H new ATOM 0 HA VAL A 3 7.152 0.139 -4.621 1.00 0.00 H new ATOM 0 HB VAL A 3 7.534 2.519 -2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.759 3.897 -4.773 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.058 2.688 -4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.716 2.424 -5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.489 3.443 -3.838 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.309 1.929 -4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.152 1.919 -2.984 1.00 0.00 H new ATOM 67 N ARG A 4 9.621 -0.101 -4.655 1.00 0.00 N ATOM 68 CA ARG A 4 11.055 -0.418 -4.706 1.00 0.00 C ATOM 69 C ARG A 4 11.837 0.808 -5.213 1.00 0.00 C ATOM 70 O ARG A 4 11.511 1.356 -6.263 1.00 0.00 O ATOM 71 CB ARG A 4 11.292 -1.641 -5.632 1.00 0.00 C ATOM 72 CG ARG A 4 10.569 -2.931 -5.173 1.00 0.00 C ATOM 73 CD ARG A 4 10.857 -4.140 -6.076 1.00 0.00 C ATOM 74 NE ARG A 4 10.352 -3.954 -7.445 1.00 0.00 N ATOM 75 CZ ARG A 4 10.532 -4.816 -8.452 1.00 0.00 C ATOM 76 NH1 ARG A 4 11.248 -5.925 -8.291 1.00 0.00 N ATOM 77 NH2 ARG A 4 9.995 -4.559 -9.626 1.00 0.00 N ATOM 0 H ARG A 4 9.146 -0.219 -5.550 1.00 0.00 H new ATOM 0 HA ARG A 4 11.409 -0.669 -3.706 1.00 0.00 H new ATOM 0 HB2 ARG A 4 10.960 -1.390 -6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.363 -1.838 -5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 4 10.873 -3.167 -4.153 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.494 -2.750 -5.151 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.932 -4.316 -6.110 1.00 0.00 H new ATOM 0 HD3 ARG A 4 10.402 -5.030 -5.642 1.00 0.00 H new ATOM 0 HE ARG A 4 9.825 -3.103 -7.641 1.00 0.00 H new ATOM 0 HH11 ARG A 4 11.672 -6.131 -7.387 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.373 -6.569 -9.072 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.448 -3.709 -9.761 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.126 -5.210 -10.400 1.00 0.00 H new ATOM 91 N CYS A 5 12.865 1.234 -4.463 1.00 0.00 N ATOM 92 CA CYS A 5 13.699 2.391 -4.821 1.00 0.00 C ATOM 93 C CYS A 5 15.128 1.938 -5.149 1.00 0.00 C ATOM 94 O CYS A 5 15.831 1.415 -4.281 1.00 0.00 O ATOM 95 CB CYS A 5 13.688 3.439 -3.689 1.00 0.00 C ATOM 96 SG CYS A 5 12.075 4.225 -3.471 1.00 0.00 S ATOM 0 H CYS A 5 13.142 0.785 -3.590 1.00 0.00 H new ATOM 0 HA CYS A 5 13.282 2.861 -5.712 1.00 0.00 H new ATOM 0 HB2 CYS A 5 13.982 2.960 -2.755 1.00 0.00 H new ATOM 0 HB3 CYS A 5 14.433 4.205 -3.903 1.00 0.00 H new ATOM 0 HG CYS A 5 11.154 3.311 -3.393 1.00 0.00 H new ATOM 102 N LYS A 6 15.528 2.123 -6.419 1.00 0.00 N ATOM 103 CA LYS A 6 16.884 1.823 -6.898 1.00 0.00 C ATOM 104 C LYS A 6 17.817 2.983 -6.514 1.00 0.00 C ATOM 105 O LYS A 6 17.766 4.050 -7.134 1.00 0.00 O ATOM 106 CB LYS A 6 16.874 1.621 -8.440 1.00 0.00 C ATOM 107 CG LYS A 6 18.246 1.247 -9.055 1.00 0.00 C ATOM 108 CD LYS A 6 18.726 -0.177 -8.652 1.00 0.00 C ATOM 109 CE LYS A 6 17.826 -1.305 -9.205 1.00 0.00 C ATOM 110 NZ LYS A 6 17.725 -1.276 -10.685 1.00 0.00 N ATOM 0 H LYS A 6 14.913 2.488 -7.146 1.00 0.00 H new ATOM 0 HA LYS A 6 17.242 0.903 -6.436 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.156 0.838 -8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.519 2.538 -8.910 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.180 1.308 -10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.991 1.978 -8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.744 -0.325 -9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.759 -0.248 -7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.223 -2.270 -8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.829 -1.214 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.767 -0.982 -10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.418 -0.601 -11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.919 -2.224 -11.065 1.00 0.00 H new ATOM 124 N ALA A 7 18.663 2.774 -5.497 1.00 0.00 N ATOM 125 CA ALA A 7 19.512 3.839 -4.936 1.00 0.00 C ATOM 126 C ALA A 7 20.982 3.409 -4.869 1.00 0.00 C ATOM 127 O ALA A 7 21.339 2.279 -5.230 1.00 0.00 O ATOM 128 CB ALA A 7 18.990 4.247 -3.552 1.00 0.00 C ATOM 0 H ALA A 7 18.780 1.869 -5.041 1.00 0.00 H new ATOM 0 HA ALA A 7 19.462 4.704 -5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.622 5.035 -3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 7 17.967 4.613 -3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 7 19.009 3.384 -2.887 1.00 0.00 H new ATOM 170 N THR A 11 19.016 -1.505 -3.800 1.00 0.00 N ATOM 171 CA THR A 11 17.562 -1.472 -3.967 1.00 0.00 C ATOM 172 C THR A 11 16.877 -1.736 -2.618 1.00 0.00 C ATOM 173 O THR A 11 17.131 -2.763 -1.974 1.00 0.00 O ATOM 174 CB THR A 11 17.096 -2.537 -5.001 1.00 0.00 C ATOM 175 OG1 THR A 11 17.880 -2.429 -6.194 1.00 0.00 O ATOM 176 CG2 THR A 11 15.609 -2.375 -5.366 1.00 0.00 C ATOM 0 HA THR A 11 17.284 -0.485 -4.335 1.00 0.00 H new ATOM 0 HB THR A 11 17.230 -3.516 -4.542 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.769 -2.082 -5.971 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.327 -3.139 -6.090 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.000 -2.483 -4.468 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.446 -1.388 -5.798 1.00 0.00 H new ATOM 184 N HIS A 12 16.012 -0.809 -2.200 1.00 0.00 N ATOM 185 CA HIS A 12 15.274 -0.898 -0.927 1.00 0.00 C ATOM 186 C HIS A 12 13.769 -1.014 -1.185 1.00 0.00 C ATOM 187 O HIS A 12 13.296 -0.781 -2.299 1.00 0.00 O ATOM 188 CB HIS A 12 15.578 0.338 -0.049 1.00 0.00 C ATOM 189 CG HIS A 12 16.987 0.395 0.476 1.00 0.00 C ATOM 190 ND1 HIS A 12 17.314 0.003 1.758 1.00 0.00 N ATOM 191 CD2 HIS A 12 18.148 0.785 -0.100 1.00 0.00 C ATOM 192 CE1 HIS A 12 18.605 0.153 1.944 1.00 0.00 C ATOM 193 NE2 HIS A 12 19.134 0.620 0.833 1.00 0.00 N ATOM 0 H HIS A 12 15.799 0.033 -2.736 1.00 0.00 H new ATOM 0 HA HIS A 12 15.600 -1.793 -0.397 1.00 0.00 H new ATOM 0 HB2 HIS A 12 15.383 1.239 -0.631 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.888 0.348 0.795 1.00 0.00 H new ATOM 0 HD2 HIS A 12 18.272 1.156 -1.106 1.00 0.00 H new ATOM 0 HE1 HIS A 12 19.142 -0.069 2.854 1.00 0.00 H new ATOM 0 HE2 HIS A 12 20.123 0.826 0.691 1.00 0.00 H new ATOM 202 N LEU A 13 13.032 -1.380 -0.131 1.00 0.00 N ATOM 203 CA LEU A 13 11.568 -1.480 -0.145 1.00 0.00 C ATOM 204 C LEU A 13 11.026 -0.471 0.887 1.00 0.00 C ATOM 205 O LEU A 13 11.379 -0.533 2.071 1.00 0.00 O ATOM 206 CB LEU A 13 11.141 -2.955 0.171 1.00 0.00 C ATOM 207 CG LEU A 13 9.679 -3.389 -0.190 1.00 0.00 C ATOM 208 CD1 LEU A 13 8.622 -2.702 0.686 1.00 0.00 C ATOM 209 CD2 LEU A 13 9.404 -3.158 -1.685 1.00 0.00 C ATOM 0 H LEU A 13 13.443 -1.619 0.771 1.00 0.00 H new ATOM 0 HA LEU A 13 11.153 -1.238 -1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.826 -3.621 -0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.286 -3.124 1.238 1.00 0.00 H new ATOM 0 HG LEU A 13 9.599 -4.456 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.629 -3.041 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.796 -2.955 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.690 -1.622 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.385 -3.465 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.528 -2.101 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.105 -3.745 -2.279 1.00 0.00 H new ATOM 221 N LEU A 14 10.206 0.474 0.414 1.00 0.00 N ATOM 222 CA LEU A 14 9.597 1.521 1.241 1.00 0.00 C ATOM 223 C LEU A 14 8.120 1.179 1.510 1.00 0.00 C ATOM 224 O LEU A 14 7.291 1.171 0.586 1.00 0.00 O ATOM 225 CB LEU A 14 9.706 2.919 0.558 1.00 0.00 C ATOM 226 CG LEU A 14 11.135 3.562 0.461 1.00 0.00 C ATOM 227 CD1 LEU A 14 12.097 2.764 -0.450 1.00 0.00 C ATOM 228 CD2 LEU A 14 11.039 5.043 0.019 1.00 0.00 C ATOM 0 H LEU A 14 9.943 0.534 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 14 10.139 1.566 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.305 2.833 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.061 3.611 1.100 1.00 0.00 H new ATOM 0 HG LEU A 14 11.566 3.524 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.068 3.259 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.215 1.754 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.687 2.716 -1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.040 5.470 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.560 5.101 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.450 5.602 0.746 1.00 0.00 H new ATOM 240 N GLN A 15 7.822 0.862 2.776 1.00 0.00 N ATOM 241 CA GLN A 15 6.452 0.751 3.290 1.00 0.00 C ATOM 242 C GLN A 15 5.999 2.118 3.823 1.00 0.00 C ATOM 243 O GLN A 15 6.807 3.046 3.946 1.00 0.00 O ATOM 244 CB GLN A 15 6.375 -0.317 4.417 1.00 0.00 C ATOM 245 CG GLN A 15 6.586 -1.771 3.954 1.00 0.00 C ATOM 246 CD GLN A 15 5.500 -2.296 3.001 1.00 0.00 C ATOM 247 OE1 GLN A 15 5.841 -3.294 2.211 1.00 0.00 O flip ATOM 248 NE2 GLN A 15 4.351 -1.845 3.008 1.00 0.00 N flip ATOM 0 H GLN A 15 8.535 0.673 3.481 1.00 0.00 H new ATOM 0 HA GLN A 15 5.792 0.438 2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.124 -0.080 5.173 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.401 -0.244 4.900 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.554 -1.845 3.459 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.626 -2.417 4.831 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.110 -1.072 3.628 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.642 -2.245 2.394 1.00 0.00 H new ATOM 257 N GLY A 16 4.706 2.220 4.164 1.00 0.00 N ATOM 258 CA GLY A 16 4.109 3.479 4.622 1.00 0.00 C ATOM 259 C GLY A 16 3.635 4.362 3.471 1.00 0.00 C ATOM 260 O GLY A 16 3.170 5.484 3.695 1.00 0.00 O ATOM 0 H GLY A 16 4.051 1.439 4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.265 3.259 5.276 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.840 4.027 5.217 1.00 0.00 H new ATOM 264 N LEU A 17 3.754 3.847 2.232 1.00 0.00 N ATOM 265 CA LEU A 17 3.338 4.550 1.010 1.00 0.00 C ATOM 266 C LEU A 17 1.926 4.097 0.620 1.00 0.00 C ATOM 267 O LEU A 17 1.648 2.905 0.556 1.00 0.00 O ATOM 268 CB LEU A 17 4.355 4.280 -0.132 1.00 0.00 C ATOM 269 CG LEU A 17 5.803 4.807 0.132 1.00 0.00 C ATOM 270 CD1 LEU A 17 6.761 4.451 -1.020 1.00 0.00 C ATOM 271 CD2 LEU A 17 5.799 6.331 0.386 1.00 0.00 C ATOM 0 H LEU A 17 4.146 2.922 2.053 1.00 0.00 H new ATOM 0 HA LEU A 17 3.319 5.625 1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.403 3.205 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.980 4.737 -1.048 1.00 0.00 H new ATOM 0 HG LEU A 17 6.169 4.308 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.756 4.835 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.807 3.368 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.398 4.898 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.818 6.672 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.394 6.844 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.182 6.553 1.257 1.00 0.00 H new ATOM 283 N SER A 18 1.045 5.066 0.424 1.00 0.00 N ATOM 284 CA SER A 18 -0.339 4.866 -0.003 1.00 0.00 C ATOM 285 C SER A 18 -0.549 5.512 -1.384 1.00 0.00 C ATOM 286 O SER A 18 0.421 5.865 -2.070 1.00 0.00 O ATOM 287 CB SER A 18 -1.283 5.470 1.067 1.00 0.00 C ATOM 288 OG SER A 18 -0.983 6.844 1.303 1.00 0.00 O ATOM 0 H SER A 18 1.278 6.049 0.562 1.00 0.00 H new ATOM 0 HA SER A 18 -0.564 3.804 -0.099 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.318 5.372 0.739 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.189 4.909 1.997 1.00 0.00 H new ATOM 0 HG SER A 18 -1.594 7.201 1.981 1.00 0.00 H new ATOM 294 N SER A 19 -1.819 5.654 -1.789 1.00 0.00 N ATOM 295 CA SER A 19 -2.194 6.289 -3.055 1.00 0.00 C ATOM 296 C SER A 19 -1.927 7.814 -3.024 1.00 0.00 C ATOM 297 O SER A 19 -1.357 8.372 -3.973 1.00 0.00 O ATOM 298 CB SER A 19 -3.677 5.971 -3.367 1.00 0.00 C ATOM 299 OG SER A 19 -4.508 6.190 -2.234 1.00 0.00 O ATOM 0 H SER A 19 -2.617 5.329 -1.243 1.00 0.00 H new ATOM 0 HA SER A 19 -1.574 5.884 -3.855 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.017 6.594 -4.194 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.767 4.934 -3.690 1.00 0.00 H new ATOM 0 HG SER A 19 -5.437 5.982 -2.465 1.00 0.00 H new ATOM 305 N ARG A 20 -2.331 8.487 -1.919 1.00 0.00 N ATOM 306 CA ARG A 20 -2.169 9.959 -1.769 1.00 0.00 C ATOM 307 C ARG A 20 -1.058 10.323 -0.763 1.00 0.00 C ATOM 308 O ARG A 20 -1.183 11.297 -0.001 1.00 0.00 O ATOM 309 CB ARG A 20 -3.507 10.677 -1.371 1.00 0.00 C ATOM 310 CG ARG A 20 -4.660 10.615 -2.407 1.00 0.00 C ATOM 311 CD ARG A 20 -5.416 9.281 -2.403 1.00 0.00 C ATOM 312 NE ARG A 20 -5.945 8.958 -1.061 1.00 0.00 N ATOM 313 CZ ARG A 20 -7.003 8.184 -0.813 1.00 0.00 C ATOM 314 NH1 ARG A 20 -7.682 7.606 -1.785 1.00 0.00 N ATOM 315 NH2 ARG A 20 -7.385 7.988 0.427 1.00 0.00 N ATOM 0 H ARG A 20 -2.772 8.036 -1.117 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.874 10.321 -2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.863 10.242 -0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.285 11.725 -1.170 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.363 11.423 -2.204 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.253 10.789 -3.403 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.238 9.326 -3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.750 8.484 -2.733 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.461 9.360 -0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.402 7.746 -2.756 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.487 7.019 -1.566 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.874 8.426 1.193 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.193 7.398 0.624 1.00 0.00 H new ATOM 329 N THR A 21 0.044 9.569 -0.785 1.00 0.00 N ATOM 330 CA THR A 21 1.275 9.975 -0.089 1.00 0.00 C ATOM 331 C THR A 21 1.915 11.178 -0.820 1.00 0.00 C ATOM 332 O THR A 21 2.199 11.107 -2.023 1.00 0.00 O ATOM 333 CB THR A 21 2.271 8.781 0.035 1.00 0.00 C ATOM 334 OG1 THR A 21 1.752 7.828 0.963 1.00 0.00 O ATOM 335 CG2 THR A 21 3.670 9.212 0.484 1.00 0.00 C ATOM 0 H THR A 21 0.113 8.677 -1.274 1.00 0.00 H new ATOM 0 HA THR A 21 1.022 10.284 0.925 1.00 0.00 H new ATOM 0 HB THR A 21 2.373 8.344 -0.959 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.779 7.767 0.860 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.316 8.337 0.551 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.084 9.914 -0.240 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.607 9.692 1.460 1.00 0.00 H new ATOM 343 N ARG A 22 2.103 12.280 -0.076 1.00 0.00 N ATOM 344 CA ARG A 22 2.637 13.548 -0.613 1.00 0.00 C ATOM 345 C ARG A 22 4.155 13.464 -0.829 1.00 0.00 C ATOM 346 O ARG A 22 4.790 12.510 -0.381 1.00 0.00 O ATOM 347 CB ARG A 22 2.305 14.701 0.364 1.00 0.00 C ATOM 348 CG ARG A 22 0.798 14.877 0.629 1.00 0.00 C ATOM 349 CD ARG A 22 0.490 15.976 1.659 1.00 0.00 C ATOM 350 NE ARG A 22 0.983 15.638 3.015 1.00 0.00 N ATOM 351 CZ ARG A 22 0.220 15.547 4.120 1.00 0.00 C ATOM 352 NH1 ARG A 22 -1.099 15.611 4.043 1.00 0.00 N ATOM 353 NH2 ARG A 22 0.785 15.346 5.294 1.00 0.00 N ATOM 0 H ARG A 22 1.889 12.319 0.920 1.00 0.00 H new ATOM 0 HA ARG A 22 2.170 13.738 -1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.812 14.519 1.312 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.705 15.632 -0.038 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.296 15.115 -0.309 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.384 13.932 0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.944 16.912 1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.587 16.141 1.698 1.00 0.00 H new ATOM 0 HE ARG A 22 1.982 15.460 3.119 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.552 15.731 3.137 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.663 15.540 4.890 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.799 15.260 5.364 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.208 15.277 6.132 1.00 0.00 H new ATOM 367 N LEU A 23 4.720 14.486 -1.506 1.00 0.00 N ATOM 368 CA LEU A 23 6.180 14.613 -1.736 1.00 0.00 C ATOM 369 C LEU A 23 6.958 14.628 -0.403 1.00 0.00 C ATOM 370 O LEU A 23 7.936 13.888 -0.239 1.00 0.00 O ATOM 371 CB LEU A 23 6.502 15.911 -2.532 1.00 0.00 C ATOM 372 CG LEU A 23 8.023 16.277 -2.669 1.00 0.00 C ATOM 373 CD1 LEU A 23 8.802 15.159 -3.379 1.00 0.00 C ATOM 374 CD2 LEU A 23 8.225 17.639 -3.369 1.00 0.00 C ATOM 0 H LEU A 23 4.178 15.249 -1.910 1.00 0.00 H new ATOM 0 HA LEU A 23 6.493 13.745 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.081 15.813 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.990 16.745 -2.051 1.00 0.00 H new ATOM 0 HG LEU A 23 8.426 16.373 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.852 15.441 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.717 14.236 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.390 15.006 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.291 17.855 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.791 17.602 -4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.736 18.422 -2.789 1.00 0.00 H new ATOM 386 N ARG A 24 6.504 15.487 0.531 1.00 0.00 N ATOM 387 CA ARG A 24 7.124 15.637 1.872 1.00 0.00 C ATOM 388 C ARG A 24 7.174 14.300 2.643 1.00 0.00 C ATOM 389 O ARG A 24 8.115 14.051 3.407 1.00 0.00 O ATOM 390 CB ARG A 24 6.373 16.714 2.705 1.00 0.00 C ATOM 391 CG ARG A 24 4.837 16.512 2.772 1.00 0.00 C ATOM 392 CD ARG A 24 4.154 17.397 3.821 1.00 0.00 C ATOM 393 NE ARG A 24 4.544 17.016 5.193 1.00 0.00 N ATOM 394 CZ ARG A 24 4.417 17.786 6.275 1.00 0.00 C ATOM 395 NH1 ARG A 24 3.964 19.022 6.189 1.00 0.00 N ATOM 396 NH2 ARG A 24 4.765 17.312 7.448 1.00 0.00 N ATOM 0 H ARG A 24 5.700 16.097 0.382 1.00 0.00 H new ATOM 0 HA ARG A 24 8.153 15.962 1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.772 16.716 3.719 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.580 17.696 2.279 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.407 16.723 1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.624 15.466 2.995 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.417 18.440 3.644 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.072 17.318 3.715 1.00 0.00 H new ATOM 0 HE ARG A 24 4.944 16.087 5.325 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.702 19.407 5.282 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.875 19.592 7.030 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.129 16.362 7.527 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.672 17.893 8.281 1.00 0.00 H new ATOM 410 N GLU A 25 6.167 13.442 2.407 1.00 0.00 N ATOM 411 CA GLU A 25 6.066 12.117 3.041 1.00 0.00 C ATOM 412 C GLU A 25 7.025 11.128 2.337 1.00 0.00 C ATOM 413 O GLU A 25 7.790 10.420 2.988 1.00 0.00 O ATOM 414 CB GLU A 25 4.610 11.584 2.949 1.00 0.00 C ATOM 415 CG GLU A 25 3.496 12.572 3.347 1.00 0.00 C ATOM 416 CD GLU A 25 3.607 13.106 4.782 1.00 0.00 C ATOM 417 OE1 GLU A 25 3.813 12.310 5.721 1.00 0.00 O ATOM 418 OE2 GLU A 25 3.447 14.324 4.982 1.00 0.00 O ATOM 0 H GLU A 25 5.398 13.649 1.769 1.00 0.00 H new ATOM 0 HA GLU A 25 6.343 12.209 4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.429 11.258 1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.528 10.702 3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.511 13.415 2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.531 12.080 3.229 1.00 0.00 H new ATOM 425 N LEU A 26 6.978 11.143 0.988 1.00 0.00 N ATOM 426 CA LEU A 26 7.681 10.189 0.106 1.00 0.00 C ATOM 427 C LEU A 26 9.213 10.362 0.220 1.00 0.00 C ATOM 428 O LEU A 26 9.912 9.430 0.648 1.00 0.00 O ATOM 429 CB LEU A 26 7.141 10.381 -1.360 1.00 0.00 C ATOM 430 CG LEU A 26 7.727 9.495 -2.527 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.988 10.110 -3.148 1.00 0.00 C ATOM 432 CD2 LEU A 26 7.981 8.043 -2.071 1.00 0.00 C ATOM 0 H LEU A 26 6.437 11.836 0.470 1.00 0.00 H new ATOM 0 HA LEU A 26 7.480 9.162 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.064 10.217 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.299 11.425 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 26 6.966 9.469 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.353 9.463 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.750 11.092 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.758 10.212 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.384 7.466 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.695 8.040 -1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.043 7.596 -1.740 1.00 0.00 H new ATOM 444 N GLN A 27 9.717 11.556 -0.148 1.00 0.00 N ATOM 445 CA GLN A 27 11.152 11.903 -0.009 1.00 0.00 C ATOM 446 C GLN A 27 11.586 11.951 1.468 1.00 0.00 C ATOM 447 O GLN A 27 12.783 11.806 1.772 1.00 0.00 O ATOM 448 CB GLN A 27 11.500 13.240 -0.726 1.00 0.00 C ATOM 449 CG GLN A 27 11.612 13.134 -2.265 1.00 0.00 C ATOM 450 CD GLN A 27 12.294 14.356 -2.911 1.00 0.00 C ATOM 451 OE1 GLN A 27 12.168 15.480 -2.429 1.00 0.00 O ATOM 452 NE2 GLN A 27 13.061 14.133 -3.966 1.00 0.00 N ATOM 0 H GLN A 27 9.150 12.304 -0.547 1.00 0.00 H new ATOM 0 HA GLN A 27 11.713 11.107 -0.500 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.737 13.978 -0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.444 13.614 -0.331 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.174 12.236 -2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.614 13.017 -2.688 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.146 13.190 -4.344 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.567 14.905 -4.401 1.00 0.00 H new ATOM 461 N GLY A 28 10.602 12.138 2.365 1.00 0.00 N ATOM 462 CA GLY A 28 10.824 12.063 3.806 1.00 0.00 C ATOM 463 C GLY A 28 11.214 10.653 4.246 1.00 0.00 C ATOM 464 O GLY A 28 12.081 10.483 5.109 1.00 0.00 O ATOM 0 H GLY A 28 9.637 12.344 2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.610 12.763 4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.919 12.370 4.330 1.00 0.00 H new ATOM 468 N GLN A 29 10.592 9.635 3.611 1.00 0.00 N ATOM 469 CA GLN A 29 10.900 8.221 3.897 1.00 0.00 C ATOM 470 C GLN A 29 12.196 7.801 3.195 1.00 0.00 C ATOM 471 O GLN A 29 12.961 7.042 3.762 1.00 0.00 O ATOM 472 CB GLN A 29 9.747 7.272 3.480 1.00 0.00 C ATOM 473 CG GLN A 29 8.419 7.508 4.234 1.00 0.00 C ATOM 474 CD GLN A 29 7.398 6.371 4.080 1.00 0.00 C ATOM 475 OE1 GLN A 29 6.571 6.145 4.960 1.00 0.00 O ATOM 476 NE2 GLN A 29 7.439 5.638 2.977 1.00 0.00 N ATOM 0 H GLN A 29 9.875 9.769 2.898 1.00 0.00 H new ATOM 0 HA GLN A 29 11.025 8.136 4.976 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.568 7.386 2.411 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.064 6.242 3.642 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.635 7.646 5.293 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.971 8.435 3.876 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.132 5.839 2.256 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.777 4.872 2.849 1.00 0.00 H new ATOM 485 N ILE A 30 12.436 8.306 1.963 1.00 0.00 N ATOM 486 CA ILE A 30 13.665 8.001 1.179 1.00 0.00 C ATOM 487 C ILE A 30 14.939 8.363 1.988 1.00 0.00 C ATOM 488 O ILE A 30 15.884 7.565 2.089 1.00 0.00 O ATOM 489 CB ILE A 30 13.669 8.776 -0.195 1.00 0.00 C ATOM 490 CG1 ILE A 30 12.495 8.300 -1.114 1.00 0.00 C ATOM 491 CG2 ILE A 30 15.034 8.651 -0.923 1.00 0.00 C ATOM 492 CD1 ILE A 30 12.383 9.039 -2.438 1.00 0.00 C ATOM 0 H ILE A 30 11.790 8.933 1.483 1.00 0.00 H new ATOM 0 HA ILE A 30 13.667 6.930 0.975 1.00 0.00 H new ATOM 0 HB ILE A 30 13.516 9.832 0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.619 7.236 -1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.557 8.413 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.996 9.198 -1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.821 9.066 -0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.245 7.600 -1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.542 8.641 -3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 30 12.224 10.101 -2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 30 13.302 8.905 -3.008 1.00 0.00 H new ATOM 504 N ALA A 31 14.914 9.564 2.588 1.00 0.00 N ATOM 505 CA ALA A 31 16.005 10.088 3.432 1.00 0.00 C ATOM 506 C ALA A 31 16.228 9.229 4.697 1.00 0.00 C ATOM 507 O ALA A 31 17.316 9.248 5.282 1.00 0.00 O ATOM 508 CB ALA A 31 15.709 11.546 3.797 1.00 0.00 C ATOM 0 H ALA A 31 14.127 10.207 2.501 1.00 0.00 H new ATOM 0 HA ALA A 31 16.933 10.040 2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.514 11.936 4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.635 12.141 2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.768 11.600 4.344 1.00 0.00 H new ATOM 514 N ALA A 32 15.176 8.514 5.118 1.00 0.00 N ATOM 515 CA ALA A 32 15.212 7.616 6.285 1.00 0.00 C ATOM 516 C ALA A 32 15.639 6.182 5.890 1.00 0.00 C ATOM 517 O ALA A 32 16.299 5.488 6.670 1.00 0.00 O ATOM 518 CB ALA A 32 13.832 7.605 6.965 1.00 0.00 C ATOM 0 H ALA A 32 14.267 8.541 4.656 1.00 0.00 H new ATOM 0 HA ALA A 32 15.958 7.991 6.985 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.857 6.941 7.829 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.579 8.614 7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.081 7.252 6.258 1.00 0.00 H new ATOM 524 N ILE A 33 15.253 5.757 4.669 1.00 0.00 N ATOM 525 CA ILE A 33 15.413 4.365 4.183 1.00 0.00 C ATOM 526 C ILE A 33 16.818 4.141 3.582 1.00 0.00 C ATOM 527 O ILE A 33 17.586 3.311 4.077 1.00 0.00 O ATOM 528 CB ILE A 33 14.296 4.006 3.115 1.00 0.00 C ATOM 529 CG1 ILE A 33 12.865 3.966 3.764 1.00 0.00 C ATOM 530 CG2 ILE A 33 14.603 2.667 2.400 1.00 0.00 C ATOM 531 CD1 ILE A 33 12.604 2.771 4.672 1.00 0.00 C ATOM 0 H ILE A 33 14.817 6.374 3.984 1.00 0.00 H new ATOM 0 HA ILE A 33 15.299 3.702 5.041 1.00 0.00 H new ATOM 0 HB ILE A 33 14.306 4.800 2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 33 12.718 4.880 4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.121 3.968 2.967 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.817 2.453 1.676 1.00 0.00 H new ATOM 0 HG22 ILE A 33 15.561 2.741 1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 33 14.647 1.864 3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.592 2.832 5.072 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.714 1.849 4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.320 2.776 5.494 1.00 0.00 H new ATOM 543 N THR A 34 17.133 4.869 2.498 1.00 0.00 N ATOM 544 CA THR A 34 18.431 4.752 1.801 1.00 0.00 C ATOM 545 C THR A 34 19.418 5.835 2.279 1.00 0.00 C ATOM 546 O THR A 34 20.617 5.770 1.978 1.00 0.00 O ATOM 547 CB THR A 34 18.257 4.802 0.243 1.00 0.00 C ATOM 548 OG1 THR A 34 19.530 4.650 -0.414 1.00 0.00 O ATOM 549 CG2 THR A 34 17.580 6.093 -0.230 1.00 0.00 C ATOM 0 H THR A 34 16.501 5.552 2.080 1.00 0.00 H new ATOM 0 HA THR A 34 18.849 3.778 2.054 1.00 0.00 H new ATOM 0 HB THR A 34 17.605 3.971 -0.027 1.00 0.00 H new ATOM 0 HG1 THR A 34 20.242 4.987 0.170 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.484 6.077 -1.316 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.591 6.171 0.221 1.00 0.00 H new ATOM 0 HG23 THR A 34 18.183 6.950 0.068 1.00 0.00 H new ATOM 557 N GLY A 35 18.908 6.829 3.031 1.00 0.00 N ATOM 558 CA GLY A 35 19.751 7.852 3.646 1.00 0.00 C ATOM 559 C GLY A 35 19.938 9.093 2.790 1.00 0.00 C ATOM 560 O GLY A 35 20.431 10.111 3.296 1.00 0.00 O ATOM 0 H GLY A 35 17.912 6.938 3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.313 8.144 4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.729 7.421 3.862 1.00 0.00 H new ATOM 564 N ILE A 36 19.555 9.022 1.489 1.00 0.00 N ATOM 565 CA ILE A 36 19.734 10.154 0.566 1.00 0.00 C ATOM 566 C ILE A 36 18.675 11.230 0.875 1.00 0.00 C ATOM 567 O ILE A 36 17.474 10.992 0.690 1.00 0.00 O ATOM 568 CB ILE A 36 19.637 9.763 -0.964 1.00 0.00 C ATOM 569 CG1 ILE A 36 20.293 8.375 -1.279 1.00 0.00 C ATOM 570 CG2 ILE A 36 20.272 10.885 -1.832 1.00 0.00 C ATOM 571 CD1 ILE A 36 21.763 8.234 -0.924 1.00 0.00 C ATOM 0 H ILE A 36 19.126 8.199 1.067 1.00 0.00 H new ATOM 0 HA ILE A 36 20.746 10.524 0.728 1.00 0.00 H new ATOM 0 HB ILE A 36 18.580 9.664 -1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.736 7.604 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 36 20.177 8.174 -2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 36 20.204 10.613 -2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 36 19.739 11.821 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 36 21.319 11.009 -1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 36 22.106 7.233 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.343 8.973 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.896 8.394 0.146 1.00 0.00 H new ATOM 583 N ALA A 37 19.146 12.395 1.345 1.00 0.00 N ATOM 584 CA ALA A 37 18.297 13.529 1.745 1.00 0.00 C ATOM 585 C ALA A 37 17.468 14.059 0.548 1.00 0.00 C ATOM 586 O ALA A 37 17.921 13.944 -0.597 1.00 0.00 O ATOM 587 CB ALA A 37 19.185 14.638 2.347 1.00 0.00 C ATOM 0 H ALA A 37 20.143 12.579 1.460 1.00 0.00 H new ATOM 0 HA ALA A 37 17.585 13.194 2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.562 15.481 2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.712 14.249 3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.910 14.968 1.603 1.00 0.00 H new ATOM 593 N PRO A 38 16.249 14.667 0.794 1.00 0.00 N ATOM 594 CA PRO A 38 15.381 15.226 -0.290 1.00 0.00 C ATOM 595 C PRO A 38 16.064 16.371 -1.073 1.00 0.00 C ATOM 596 O PRO A 38 15.646 16.714 -2.187 1.00 0.00 O ATOM 597 CB PRO A 38 14.120 15.719 0.476 1.00 0.00 C ATOM 598 CG PRO A 38 14.588 15.934 1.884 1.00 0.00 C ATOM 599 CD PRO A 38 15.617 14.860 2.137 1.00 0.00 C ATOM 0 HA PRO A 38 15.153 14.487 -1.058 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.729 16.640 0.044 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.318 14.982 0.434 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.020 16.927 2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.760 15.857 2.589 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.347 15.170 2.885 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.158 13.941 2.502 1.00 0.00 H new ATOM 607 N GLY A 39 17.128 16.951 -0.474 1.00 0.00 N ATOM 608 CA GLY A 39 17.963 17.953 -1.133 1.00 0.00 C ATOM 609 C GLY A 39 19.170 17.342 -1.854 1.00 0.00 C ATOM 610 O GLY A 39 20.147 18.040 -2.096 1.00 0.00 O ATOM 0 H GLY A 39 17.423 16.731 0.477 1.00 0.00 H new ATOM 0 HA2 GLY A 39 17.359 18.507 -1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 39 18.314 18.671 -0.392 1.00 0.00 H new ATOM 614 N SER A 40 19.112 16.031 -2.180 1.00 0.00 N ATOM 615 CA SER A 40 20.180 15.314 -2.926 1.00 0.00 C ATOM 616 C SER A 40 19.609 14.203 -3.824 1.00 0.00 C ATOM 617 O SER A 40 20.379 13.488 -4.475 1.00 0.00 O ATOM 618 CB SER A 40 21.226 14.714 -1.949 1.00 0.00 C ATOM 619 OG SER A 40 21.954 15.722 -1.299 1.00 0.00 O ATOM 0 H SER A 40 18.322 15.435 -1.934 1.00 0.00 H new ATOM 0 HA SER A 40 20.667 16.048 -3.568 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.721 14.093 -1.209 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.909 14.065 -2.498 1.00 0.00 H new ATOM 0 HG SER A 40 21.602 16.599 -1.559 1.00 0.00 H new ATOM 625 N GLN A 41 18.273 14.054 -3.884 1.00 0.00 N ATOM 626 CA GLN A 41 17.643 13.049 -4.760 1.00 0.00 C ATOM 627 C GLN A 41 16.341 13.546 -5.364 1.00 0.00 C ATOM 628 O GLN A 41 15.777 14.571 -4.956 1.00 0.00 O ATOM 629 CB GLN A 41 17.472 11.670 -4.050 1.00 0.00 C ATOM 630 CG GLN A 41 16.824 11.669 -2.645 1.00 0.00 C ATOM 631 CD GLN A 41 15.310 11.823 -2.600 1.00 0.00 C ATOM 632 OE1 GLN A 41 14.587 11.497 -3.545 1.00 0.00 O ATOM 633 NE2 GLN A 41 14.807 12.240 -1.453 1.00 0.00 N ATOM 0 H GLN A 41 17.614 14.612 -3.341 1.00 0.00 H new ATOM 0 HA GLN A 41 18.331 12.890 -5.590 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.873 11.029 -4.698 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.456 11.209 -3.967 1.00 0.00 H new ATOM 0 HG2 GLN A 41 17.088 10.736 -2.147 1.00 0.00 H new ATOM 0 HG3 GLN A 41 17.267 12.477 -2.063 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.429 12.503 -0.689 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.796 12.299 -1.331 1.00 0.00 H new ATOM 642 N ARG A 42 15.890 12.765 -6.345 1.00 0.00 N ATOM 643 CA ARG A 42 14.721 13.037 -7.174 1.00 0.00 C ATOM 644 C ARG A 42 14.166 11.685 -7.660 1.00 0.00 C ATOM 645 O ARG A 42 14.843 10.646 -7.555 1.00 0.00 O ATOM 646 CB ARG A 42 15.141 13.943 -8.357 1.00 0.00 C ATOM 647 CG ARG A 42 13.996 14.521 -9.233 1.00 0.00 C ATOM 648 CD ARG A 42 14.533 15.328 -10.437 1.00 0.00 C ATOM 649 NE ARG A 42 15.332 14.488 -11.363 1.00 0.00 N ATOM 650 CZ ARG A 42 16.675 14.370 -11.345 1.00 0.00 C ATOM 651 NH1 ARG A 42 17.420 15.119 -10.546 1.00 0.00 N ATOM 652 NH2 ARG A 42 17.276 13.516 -12.153 1.00 0.00 N ATOM 0 H ARG A 42 16.350 11.889 -6.592 1.00 0.00 H new ATOM 0 HA ARG A 42 13.944 13.560 -6.616 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.719 14.777 -7.959 1.00 0.00 H new ATOM 0 HB3 ARG A 42 15.809 13.372 -9.003 1.00 0.00 H new ATOM 0 HG2 ARG A 42 13.370 13.705 -9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 42 13.361 15.163 -8.622 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.696 15.769 -10.979 1.00 0.00 H new ATOM 0 HD3 ARG A 42 15.148 16.152 -10.075 1.00 0.00 H new ATOM 0 HE ARG A 42 14.824 13.957 -12.070 1.00 0.00 H new ATOM 0 HH11 ARG A 42 16.979 15.801 -9.929 1.00 0.00 H new ATOM 0 HH12 ARG A 42 18.435 15.014 -10.548 1.00 0.00 H new ATOM 0 HH21 ARG A 42 16.724 12.944 -12.792 1.00 0.00 H new ATOM 0 HH22 ARG A 42 18.292 13.428 -12.138 1.00 0.00 H new ATOM 666 N ILE A 43 12.940 11.697 -8.199 1.00 0.00 N ATOM 667 CA ILE A 43 12.186 10.481 -8.527 1.00 0.00 C ATOM 668 C ILE A 43 12.204 10.274 -10.049 1.00 0.00 C ATOM 669 O ILE A 43 11.671 11.090 -10.816 1.00 0.00 O ATOM 670 CB ILE A 43 10.705 10.558 -7.968 1.00 0.00 C ATOM 671 CG1 ILE A 43 10.654 10.296 -6.413 1.00 0.00 C ATOM 672 CG2 ILE A 43 9.744 9.598 -8.717 1.00 0.00 C ATOM 673 CD1 ILE A 43 11.389 11.306 -5.538 1.00 0.00 C ATOM 0 H ILE A 43 12.440 12.558 -8.421 1.00 0.00 H new ATOM 0 HA ILE A 43 12.659 9.624 -8.048 1.00 0.00 H new ATOM 0 HB ILE A 43 10.360 11.576 -8.151 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.609 10.270 -6.104 1.00 0.00 H new ATOM 0 HG13 ILE A 43 11.069 9.307 -6.218 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.742 9.687 -8.298 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.720 9.860 -9.775 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.094 8.572 -8.605 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.285 11.024 -4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.445 11.320 -5.807 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.963 12.298 -5.691 1.00 0.00 H new ATOM 685 N LEU A 44 12.895 9.209 -10.461 1.00 0.00 N ATOM 686 CA LEU A 44 12.935 8.737 -11.851 1.00 0.00 C ATOM 687 C LEU A 44 12.327 7.321 -11.867 1.00 0.00 C ATOM 688 O LEU A 44 12.078 6.753 -10.806 1.00 0.00 O ATOM 689 CB LEU A 44 14.404 8.758 -12.389 1.00 0.00 C ATOM 690 CG LEU A 44 15.158 10.148 -12.370 1.00 0.00 C ATOM 691 CD1 LEU A 44 14.316 11.278 -13.001 1.00 0.00 C ATOM 692 CD2 LEU A 44 15.674 10.531 -10.959 1.00 0.00 C ATOM 0 H LEU A 44 13.454 8.638 -9.827 1.00 0.00 H new ATOM 0 HA LEU A 44 12.359 9.387 -12.510 1.00 0.00 H new ATOM 0 HB2 LEU A 44 14.989 8.048 -11.804 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.393 8.393 -13.416 1.00 0.00 H new ATOM 0 HG LEU A 44 16.041 10.020 -12.997 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.876 12.213 -12.965 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.092 11.029 -14.038 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.385 11.391 -12.446 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.183 11.494 -11.007 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.832 10.599 -10.270 1.00 0.00 H new ATOM 0 HD23 LEU A 44 16.370 9.770 -10.607 1.00 0.00 H new ATOM 704 N VAL A 45 12.064 6.758 -13.053 1.00 0.00 N ATOM 705 CA VAL A 45 11.407 5.429 -13.181 1.00 0.00 C ATOM 706 C VAL A 45 12.293 4.442 -13.961 1.00 0.00 C ATOM 707 O VAL A 45 13.256 4.848 -14.627 1.00 0.00 O ATOM 708 CB VAL A 45 9.987 5.544 -13.855 1.00 0.00 C ATOM 709 CG1 VAL A 45 8.947 6.152 -12.887 1.00 0.00 C ATOM 710 CG2 VAL A 45 10.052 6.365 -15.162 1.00 0.00 C ATOM 0 H VAL A 45 12.293 7.195 -13.946 1.00 0.00 H new ATOM 0 HA VAL A 45 11.269 5.043 -12.171 1.00 0.00 H new ATOM 0 HB VAL A 45 9.666 4.532 -14.102 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.980 6.216 -13.386 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.859 5.519 -12.004 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.268 7.150 -12.588 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.057 6.426 -15.603 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.414 7.369 -14.943 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.730 5.879 -15.863 1.00 0.00 H new ATOM 720 N GLY A 46 11.969 3.133 -13.821 1.00 0.00 N ATOM 721 CA GLY A 46 12.725 2.044 -14.455 1.00 0.00 C ATOM 722 C GLY A 46 12.682 2.078 -15.984 1.00 0.00 C ATOM 723 O GLY A 46 13.596 1.588 -16.655 1.00 0.00 O ATOM 0 H GLY A 46 11.177 2.811 -13.265 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.763 2.095 -14.128 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.329 1.089 -14.110 1.00 0.00 H new ATOM 727 N TYR A 47 11.586 2.634 -16.517 1.00 0.00 N ATOM 728 CA TYR A 47 11.408 2.912 -17.962 1.00 0.00 C ATOM 729 C TYR A 47 11.816 4.394 -18.252 1.00 0.00 C ATOM 730 O TYR A 47 12.155 5.095 -17.294 1.00 0.00 O ATOM 731 CB TYR A 47 9.928 2.592 -18.362 1.00 0.00 C ATOM 732 CG TYR A 47 8.835 3.347 -17.572 1.00 0.00 C ATOM 733 CD1 TYR A 47 8.356 2.854 -16.354 1.00 0.00 C ATOM 734 CD2 TYR A 47 8.292 4.548 -18.046 1.00 0.00 C ATOM 735 CE1 TYR A 47 7.376 3.518 -15.647 1.00 0.00 C ATOM 736 CE2 TYR A 47 7.310 5.215 -17.339 1.00 0.00 C ATOM 737 CZ TYR A 47 6.859 4.699 -16.137 1.00 0.00 C ATOM 738 OH TYR A 47 5.889 5.368 -15.429 1.00 0.00 O ATOM 0 H TYR A 47 10.782 2.910 -15.954 1.00 0.00 H new ATOM 0 HA TYR A 47 12.052 2.278 -18.572 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.802 2.815 -19.421 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.763 1.522 -18.240 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.762 1.934 -15.959 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.647 4.959 -18.979 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.014 3.115 -14.713 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.896 6.136 -17.723 1.00 0.00 H new ATOM 0 HH TYR A 47 5.634 6.182 -15.912 1.00 0.00 H new ATOM 748 N PRO A 48 11.875 4.872 -19.565 1.00 0.00 N ATOM 749 CA PRO A 48 12.125 6.303 -19.911 1.00 0.00 C ATOM 750 C PRO A 48 11.385 7.319 -18.984 1.00 0.00 C ATOM 751 O PRO A 48 10.149 7.387 -18.998 1.00 0.00 O ATOM 752 CB PRO A 48 11.598 6.379 -21.361 1.00 0.00 C ATOM 753 CG PRO A 48 11.926 5.040 -21.947 1.00 0.00 C ATOM 754 CD PRO A 48 11.782 4.040 -20.807 1.00 0.00 C ATOM 0 HA PRO A 48 13.173 6.579 -19.790 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.525 6.571 -21.384 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.078 7.184 -21.917 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.251 4.797 -22.768 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.938 5.028 -22.352 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.830 3.511 -20.860 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.568 3.285 -20.839 1.00 0.00 H new ATOM 762 N PRO A 49 12.131 8.085 -18.115 1.00 0.00 N ATOM 763 CA PRO A 49 11.519 9.040 -17.167 1.00 0.00 C ATOM 764 C PRO A 49 11.176 10.385 -17.831 1.00 0.00 C ATOM 765 O PRO A 49 11.721 10.735 -18.888 1.00 0.00 O ATOM 766 CB PRO A 49 12.623 9.202 -16.092 1.00 0.00 C ATOM 767 CG PRO A 49 13.897 9.100 -16.878 1.00 0.00 C ATOM 768 CD PRO A 49 13.620 8.071 -17.974 1.00 0.00 C ATOM 0 HA PRO A 49 10.567 8.690 -16.768 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.545 10.160 -15.578 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.558 8.425 -15.330 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.172 10.064 -17.306 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.725 8.784 -16.244 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.112 8.341 -18.908 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.985 7.083 -17.695 1.00 0.00 H new ATOM 776 N GLU A 50 10.266 11.126 -17.183 1.00 0.00 N ATOM 777 CA GLU A 50 9.900 12.496 -17.578 1.00 0.00 C ATOM 778 C GLU A 50 10.984 13.501 -17.143 1.00 0.00 C ATOM 779 O GLU A 50 10.981 14.652 -17.598 1.00 0.00 O ATOM 780 CB GLU A 50 8.522 12.894 -16.964 1.00 0.00 C ATOM 781 CG GLU A 50 7.366 11.931 -17.315 1.00 0.00 C ATOM 782 CD GLU A 50 7.231 11.692 -18.834 1.00 0.00 C ATOM 783 OE1 GLU A 50 6.740 12.590 -19.547 1.00 0.00 O ATOM 784 OE2 GLU A 50 7.644 10.615 -19.319 1.00 0.00 O ATOM 0 H GLU A 50 9.759 10.790 -16.364 1.00 0.00 H new ATOM 0 HA GLU A 50 9.821 12.523 -18.665 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.621 12.943 -15.880 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.261 13.896 -17.306 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.529 10.977 -16.814 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.430 12.337 -16.931 1.00 0.00 H new ATOM 791 N CYS A 51 11.892 13.034 -16.241 1.00 0.00 N ATOM 792 CA CYS A 51 12.953 13.850 -15.610 1.00 0.00 C ATOM 793 C CYS A 51 12.308 14.905 -14.680 1.00 0.00 C ATOM 794 O CYS A 51 12.920 15.925 -14.349 1.00 0.00 O ATOM 795 CB CYS A 51 13.881 14.492 -16.678 1.00 0.00 C ATOM 796 SG CYS A 51 14.572 13.314 -17.860 1.00 0.00 S ATOM 0 H CYS A 51 11.902 12.062 -15.931 1.00 0.00 H new ATOM 0 HA CYS A 51 13.589 13.206 -15.003 1.00 0.00 H new ATOM 0 HB2 CYS A 51 13.319 15.250 -17.223 1.00 0.00 H new ATOM 0 HB3 CYS A 51 14.699 15.004 -16.172 1.00 0.00 H new ATOM 0 HG CYS A 51 15.328 13.944 -18.709 1.00 0.00 H new ATOM 802 N LEU A 52 11.071 14.571 -14.246 1.00 0.00 N ATOM 803 CA LEU A 52 10.174 15.434 -13.484 1.00 0.00 C ATOM 804 C LEU A 52 10.819 15.934 -12.179 1.00 0.00 C ATOM 805 O LEU A 52 11.367 15.144 -11.398 1.00 0.00 O ATOM 806 CB LEU A 52 8.831 14.693 -13.178 1.00 0.00 C ATOM 807 CG LEU A 52 8.892 13.356 -12.328 1.00 0.00 C ATOM 808 CD1 LEU A 52 7.532 13.071 -11.651 1.00 0.00 C ATOM 809 CD2 LEU A 52 9.329 12.125 -13.171 1.00 0.00 C ATOM 0 H LEU A 52 10.665 13.653 -14.431 1.00 0.00 H new ATOM 0 HA LEU A 52 9.967 16.309 -14.100 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.177 15.391 -12.655 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.354 14.461 -14.130 1.00 0.00 H new ATOM 0 HG LEU A 52 9.653 13.515 -11.564 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.599 12.149 -11.074 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.276 13.897 -10.987 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.761 12.966 -12.414 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.353 11.239 -12.536 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.619 11.970 -13.984 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.322 12.301 -13.585 1.00 0.00 H new ATOM 821 N ASP A 53 10.755 17.258 -11.971 1.00 0.00 N ATOM 822 CA ASP A 53 11.296 17.914 -10.772 1.00 0.00 C ATOM 823 C ASP A 53 10.160 18.083 -9.757 1.00 0.00 C ATOM 824 O ASP A 53 9.267 18.927 -9.943 1.00 0.00 O ATOM 825 CB ASP A 53 11.924 19.293 -11.130 1.00 0.00 C ATOM 826 CG ASP A 53 12.499 20.027 -9.898 1.00 0.00 C ATOM 827 OD1 ASP A 53 13.542 19.596 -9.373 1.00 0.00 O ATOM 828 OD2 ASP A 53 11.900 21.023 -9.435 1.00 0.00 O ATOM 0 H ASP A 53 10.325 17.905 -12.632 1.00 0.00 H new ATOM 0 HA ASP A 53 12.086 17.298 -10.343 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.717 19.146 -11.863 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.167 19.921 -11.601 1.00 0.00 H new ATOM 833 N LEU A 54 10.190 17.249 -8.710 1.00 0.00 N ATOM 834 CA LEU A 54 9.191 17.260 -7.639 1.00 0.00 C ATOM 835 C LEU A 54 9.444 18.479 -6.736 1.00 0.00 C ATOM 836 O LEU A 54 10.300 18.443 -5.848 1.00 0.00 O ATOM 837 CB LEU A 54 9.234 15.932 -6.825 1.00 0.00 C ATOM 838 CG LEU A 54 8.820 14.609 -7.578 1.00 0.00 C ATOM 839 CD1 LEU A 54 9.882 14.152 -8.610 1.00 0.00 C ATOM 840 CD2 LEU A 54 8.511 13.474 -6.572 1.00 0.00 C ATOM 0 H LEU A 54 10.915 16.543 -8.583 1.00 0.00 H new ATOM 0 HA LEU A 54 8.193 17.337 -8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.247 15.801 -6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.582 16.046 -5.959 1.00 0.00 H new ATOM 0 HG LEU A 54 7.913 14.839 -8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.545 13.237 -9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.022 14.932 -9.358 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.827 13.964 -8.101 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.228 12.573 -7.116 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.396 13.271 -5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.691 13.778 -5.922 1.00 0.00 H new ATOM 852 N SER A 55 8.713 19.565 -7.012 1.00 0.00 N ATOM 853 CA SER A 55 8.886 20.872 -6.337 1.00 0.00 C ATOM 854 C SER A 55 7.600 21.318 -5.621 1.00 0.00 C ATOM 855 O SER A 55 7.544 22.428 -5.096 1.00 0.00 O ATOM 856 CB SER A 55 9.346 21.922 -7.383 1.00 0.00 C ATOM 857 OG SER A 55 8.603 21.806 -8.584 1.00 0.00 O ATOM 0 H SER A 55 7.975 19.569 -7.716 1.00 0.00 H new ATOM 0 HA SER A 55 9.649 20.774 -5.565 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.226 22.925 -6.973 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.407 21.789 -7.594 1.00 0.00 H new ATOM 0 HG SER A 55 8.911 22.480 -9.226 1.00 0.00 H new ATOM 863 N ASP A 56 6.583 20.440 -5.589 1.00 0.00 N ATOM 864 CA ASP A 56 5.309 20.689 -4.891 1.00 0.00 C ATOM 865 C ASP A 56 5.229 19.727 -3.699 1.00 0.00 C ATOM 866 O ASP A 56 5.165 18.525 -3.903 1.00 0.00 O ATOM 867 CB ASP A 56 4.118 20.468 -5.870 1.00 0.00 C ATOM 868 CG ASP A 56 2.748 20.879 -5.286 1.00 0.00 C ATOM 869 OD1 ASP A 56 2.203 20.164 -4.418 1.00 0.00 O ATOM 870 OD2 ASP A 56 2.205 21.922 -5.704 1.00 0.00 O ATOM 0 H ASP A 56 6.622 19.531 -6.050 1.00 0.00 H new ATOM 0 HA ASP A 56 5.257 21.718 -4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.299 21.036 -6.782 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.082 19.416 -6.152 1.00 0.00 H new ATOM 875 N ARG A 57 5.235 20.252 -2.463 1.00 0.00 N ATOM 876 CA ARG A 57 5.280 19.432 -1.222 1.00 0.00 C ATOM 877 C ARG A 57 4.046 18.499 -1.085 1.00 0.00 C ATOM 878 O ARG A 57 4.138 17.418 -0.486 1.00 0.00 O ATOM 879 CB ARG A 57 5.383 20.350 0.032 1.00 0.00 C ATOM 880 CG ARG A 57 4.123 21.211 0.313 1.00 0.00 C ATOM 881 CD ARG A 57 4.221 22.012 1.618 1.00 0.00 C ATOM 882 NE ARG A 57 2.920 22.616 1.989 1.00 0.00 N ATOM 883 CZ ARG A 57 2.398 22.637 3.225 1.00 0.00 C ATOM 884 NH1 ARG A 57 3.055 22.107 4.246 1.00 0.00 N ATOM 885 NH2 ARG A 57 1.217 23.195 3.434 1.00 0.00 N ATOM 0 H ARG A 57 5.209 21.256 -2.286 1.00 0.00 H new ATOM 0 HA ARG A 57 6.166 18.801 -1.291 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.583 19.728 0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.239 21.013 -0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.968 21.899 -0.518 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.249 20.562 0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.561 21.359 2.421 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.969 22.797 1.508 1.00 0.00 H new ATOM 0 HE ARG A 57 2.377 23.052 1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.968 21.677 4.097 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.648 22.129 5.181 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.704 23.609 2.656 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.820 23.211 4.373 1.00 0.00 H new ATOM 899 N ASP A 58 2.911 18.944 -1.654 1.00 0.00 N ATOM 900 CA ASP A 58 1.589 18.316 -1.471 1.00 0.00 C ATOM 901 C ASP A 58 1.270 17.302 -2.599 1.00 0.00 C ATOM 902 O ASP A 58 0.333 16.503 -2.453 1.00 0.00 O ATOM 903 CB ASP A 58 0.519 19.448 -1.387 1.00 0.00 C ATOM 904 CG ASP A 58 -0.901 18.955 -1.049 1.00 0.00 C ATOM 905 OD1 ASP A 58 -1.116 18.457 0.075 1.00 0.00 O ATOM 906 OD2 ASP A 58 -1.804 19.045 -1.904 1.00 0.00 O ATOM 0 H ASP A 58 2.886 19.762 -2.263 1.00 0.00 H new ATOM 0 HA ASP A 58 1.584 17.740 -0.546 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.830 20.170 -0.632 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.490 19.976 -2.340 1.00 0.00 H new ATOM 911 N ILE A 59 2.059 17.322 -3.713 1.00 0.00 N ATOM 912 CA ILE A 59 1.814 16.431 -4.877 1.00 0.00 C ATOM 913 C ILE A 59 1.914 14.952 -4.454 1.00 0.00 C ATOM 914 O ILE A 59 2.840 14.559 -3.724 1.00 0.00 O ATOM 915 CB ILE A 59 2.762 16.727 -6.114 1.00 0.00 C ATOM 916 CG1 ILE A 59 2.214 16.017 -7.400 1.00 0.00 C ATOM 917 CG2 ILE A 59 4.238 16.315 -5.852 1.00 0.00 C ATOM 918 CD1 ILE A 59 2.988 16.293 -8.675 1.00 0.00 C ATOM 0 H ILE A 59 2.862 17.941 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 59 0.800 16.643 -5.217 1.00 0.00 H new ATOM 0 HB ILE A 59 2.759 17.806 -6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.206 14.941 -7.225 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.179 16.323 -7.550 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.840 16.541 -6.732 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.624 16.869 -4.996 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.286 15.246 -5.644 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.527 15.755 -9.504 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.975 17.363 -8.884 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.019 15.959 -8.554 1.00 0.00 H new ATOM 930 N THR A 60 0.934 14.145 -4.880 1.00 0.00 N ATOM 931 CA THR A 60 0.785 12.769 -4.399 1.00 0.00 C ATOM 932 C THR A 60 1.248 11.753 -5.440 1.00 0.00 C ATOM 933 O THR A 60 1.433 12.087 -6.611 1.00 0.00 O ATOM 934 CB THR A 60 -0.690 12.474 -4.001 1.00 0.00 C ATOM 935 OG1 THR A 60 -1.552 12.559 -5.138 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.178 13.433 -2.905 1.00 0.00 C ATOM 0 H THR A 60 0.229 14.426 -5.562 1.00 0.00 H new ATOM 0 HA THR A 60 1.419 12.671 -3.518 1.00 0.00 H new ATOM 0 HB THR A 60 -0.722 11.458 -3.608 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.224 13.255 -5.746 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.212 13.199 -2.651 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.552 13.322 -2.019 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.116 14.460 -3.266 1.00 0.00 H new ATOM 944 N LEU A 61 1.370 10.492 -4.987 1.00 0.00 N ATOM 945 CA LEU A 61 1.832 9.359 -5.812 1.00 0.00 C ATOM 946 C LEU A 61 0.821 8.985 -6.923 1.00 0.00 C ATOM 947 O LEU A 61 1.133 8.166 -7.786 1.00 0.00 O ATOM 948 CB LEU A 61 2.118 8.139 -4.908 1.00 0.00 C ATOM 949 CG LEU A 61 3.037 8.391 -3.669 1.00 0.00 C ATOM 950 CD1 LEU A 61 3.344 7.076 -2.919 1.00 0.00 C ATOM 951 CD2 LEU A 61 4.331 9.150 -4.049 1.00 0.00 C ATOM 0 H LEU A 61 1.148 10.227 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 61 2.749 9.668 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.165 7.747 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.575 7.361 -5.519 1.00 0.00 H new ATOM 0 HG LEU A 61 2.485 9.036 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.985 7.287 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.412 6.628 -2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.852 6.384 -3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.939 9.303 -3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.895 8.566 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.072 10.116 -4.482 1.00 0.00 H new ATOM 963 N GLY A 62 -0.395 9.570 -6.862 1.00 0.00 N ATOM 964 CA GLY A 62 -1.393 9.442 -7.930 1.00 0.00 C ATOM 965 C GLY A 62 -1.042 10.292 -9.151 1.00 0.00 C ATOM 966 O GLY A 62 -1.223 9.857 -10.290 1.00 0.00 O ATOM 0 H GLY A 62 -0.705 10.139 -6.074 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.472 8.396 -8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.370 9.740 -7.550 1.00 0.00 H new ATOM 970 N ASP A 63 -0.524 11.515 -8.897 1.00 0.00 N ATOM 971 CA ASP A 63 -0.076 12.451 -9.965 1.00 0.00 C ATOM 972 C ASP A 63 1.309 12.024 -10.464 1.00 0.00 C ATOM 973 O ASP A 63 1.648 12.169 -11.640 1.00 0.00 O ATOM 974 CB ASP A 63 0.008 13.912 -9.438 1.00 0.00 C ATOM 975 CG ASP A 63 -1.228 14.344 -8.637 1.00 0.00 C ATOM 976 OD1 ASP A 63 -2.265 14.680 -9.245 1.00 0.00 O ATOM 977 OD2 ASP A 63 -1.175 14.321 -7.391 1.00 0.00 O ATOM 0 H ASP A 63 -0.403 11.884 -7.954 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.804 12.415 -10.775 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.893 14.013 -8.809 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.139 14.588 -10.283 1.00 0.00 H new ATOM 982 N LEU A 64 2.100 11.517 -9.510 1.00 0.00 N ATOM 983 CA LEU A 64 3.463 11.021 -9.728 1.00 0.00 C ATOM 984 C LEU A 64 3.443 9.575 -10.297 1.00 0.00 C ATOM 985 O LEU A 64 2.446 8.864 -10.129 1.00 0.00 O ATOM 986 CB LEU A 64 4.221 11.079 -8.376 1.00 0.00 C ATOM 987 CG LEU A 64 4.444 12.503 -7.774 1.00 0.00 C ATOM 988 CD1 LEU A 64 5.026 12.428 -6.339 1.00 0.00 C ATOM 989 CD2 LEU A 64 5.332 13.364 -8.711 1.00 0.00 C ATOM 0 H LEU A 64 1.800 11.439 -8.538 1.00 0.00 H new ATOM 0 HA LEU A 64 3.972 11.644 -10.463 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.672 10.481 -7.649 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.194 10.606 -8.508 1.00 0.00 H new ATOM 0 HG LEU A 64 3.473 12.992 -7.697 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.168 13.437 -5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.335 11.885 -5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.984 11.909 -6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.474 14.351 -8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.301 12.881 -8.839 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.846 13.465 -9.681 1.00 0.00 H new ATOM 1001 N PRO A 65 4.543 9.117 -10.988 1.00 0.00 N ATOM 1002 CA PRO A 65 4.635 7.745 -11.546 1.00 0.00 C ATOM 1003 C PRO A 65 5.186 6.709 -10.528 1.00 0.00 C ATOM 1004 O PRO A 65 5.878 5.760 -10.906 1.00 0.00 O ATOM 1005 CB PRO A 65 5.587 7.962 -12.743 1.00 0.00 C ATOM 1006 CG PRO A 65 6.555 9.008 -12.265 1.00 0.00 C ATOM 1007 CD PRO A 65 5.766 9.911 -11.326 1.00 0.00 C ATOM 0 HA PRO A 65 3.668 7.322 -11.819 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.101 7.040 -13.015 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.044 8.297 -13.627 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.400 8.551 -11.749 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.961 9.575 -13.102 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.341 10.155 -10.433 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.507 10.855 -11.806 1.00 0.00 H new ATOM 1015 N ILE A 66 4.855 6.893 -9.240 1.00 0.00 N ATOM 1016 CA ILE A 66 5.129 5.892 -8.192 1.00 0.00 C ATOM 1017 C ILE A 66 3.970 4.887 -8.210 1.00 0.00 C ATOM 1018 O ILE A 66 2.807 5.284 -8.097 1.00 0.00 O ATOM 1019 CB ILE A 66 5.262 6.519 -6.735 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.563 7.382 -6.549 1.00 0.00 C ATOM 1021 CG2 ILE A 66 5.199 5.429 -5.636 1.00 0.00 C ATOM 1022 CD1 ILE A 66 6.592 8.686 -7.304 1.00 0.00 C ATOM 0 H ILE A 66 4.392 7.734 -8.895 1.00 0.00 H new ATOM 0 HA ILE A 66 6.090 5.424 -8.408 1.00 0.00 H new ATOM 0 HB ILE A 66 4.407 7.186 -6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.688 7.595 -5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.421 6.785 -6.858 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.293 5.895 -4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.246 4.904 -5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.014 4.719 -5.780 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.532 9.201 -7.105 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.505 8.490 -8.373 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.760 9.312 -6.981 1.00 0.00 H new ATOM 1034 N GLN A 67 4.281 3.608 -8.446 1.00 0.00 N ATOM 1035 CA GLN A 67 3.311 2.505 -8.313 1.00 0.00 C ATOM 1036 C GLN A 67 3.831 1.485 -7.287 1.00 0.00 C ATOM 1037 O GLN A 67 5.033 1.468 -6.968 1.00 0.00 O ATOM 1038 CB GLN A 67 3.050 1.847 -9.692 1.00 0.00 C ATOM 1039 CG GLN A 67 2.654 2.848 -10.803 1.00 0.00 C ATOM 1040 CD GLN A 67 2.169 2.163 -12.082 1.00 0.00 C ATOM 1041 OE1 GLN A 67 2.949 1.861 -12.981 1.00 0.00 O ATOM 1042 NE2 GLN A 67 0.875 1.900 -12.169 1.00 0.00 N ATOM 0 H GLN A 67 5.211 3.304 -8.735 1.00 0.00 H new ATOM 0 HA GLN A 67 2.359 2.896 -7.954 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.947 1.311 -10.003 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.257 1.106 -9.585 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.868 3.505 -10.429 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.511 3.479 -11.038 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.249 2.162 -11.407 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.504 1.435 -12.998 1.00 0.00 H new ATOM 1051 N SER A 68 2.923 0.639 -6.771 1.00 0.00 N ATOM 1052 CA SER A 68 3.265 -0.405 -5.796 1.00 0.00 C ATOM 1053 C SER A 68 4.162 -1.467 -6.463 1.00 0.00 C ATOM 1054 O SER A 68 3.721 -2.162 -7.391 1.00 0.00 O ATOM 1055 CB SER A 68 1.984 -1.064 -5.228 1.00 0.00 C ATOM 1056 OG SER A 68 2.295 -2.002 -4.208 1.00 0.00 O ATOM 0 H SER A 68 1.934 0.661 -7.019 1.00 0.00 H new ATOM 0 HA SER A 68 3.807 0.053 -4.969 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.323 -0.295 -4.828 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.442 -1.563 -6.031 1.00 0.00 H new ATOM 0 HG SER A 68 1.467 -2.401 -3.867 1.00 0.00 H new ATOM 1062 N GLY A 69 5.423 -1.556 -6.001 1.00 0.00 N ATOM 1063 CA GLY A 69 6.397 -2.514 -6.538 1.00 0.00 C ATOM 1064 C GLY A 69 7.112 -2.029 -7.789 1.00 0.00 C ATOM 1065 O GLY A 69 7.835 -2.805 -8.426 1.00 0.00 O ATOM 0 H GLY A 69 5.790 -0.970 -5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.138 -2.733 -5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.885 -3.450 -6.763 1.00 0.00 H new ATOM 1069 N ASP A 70 6.918 -0.746 -8.142 1.00 0.00 N ATOM 1070 CA ASP A 70 7.593 -0.127 -9.298 1.00 0.00 C ATOM 1071 C ASP A 70 9.022 0.281 -8.917 1.00 0.00 C ATOM 1072 O ASP A 70 9.350 0.413 -7.728 1.00 0.00 O ATOM 1073 CB ASP A 70 6.777 1.091 -9.821 1.00 0.00 C ATOM 1074 CG ASP A 70 7.320 1.679 -11.141 1.00 0.00 C ATOM 1075 OD1 ASP A 70 7.388 0.925 -12.141 1.00 0.00 O ATOM 1076 OD2 ASP A 70 7.710 2.862 -11.188 1.00 0.00 O ATOM 0 H ASP A 70 6.295 -0.113 -7.640 1.00 0.00 H new ATOM 0 HA ASP A 70 7.652 -0.857 -10.106 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.741 0.787 -9.968 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.776 1.871 -9.059 1.00 0.00 H new ATOM 1081 N MET A 71 9.857 0.463 -9.948 1.00 0.00 N ATOM 1082 CA MET A 71 11.269 0.817 -9.809 1.00 0.00 C ATOM 1083 C MET A 71 11.432 2.343 -9.918 1.00 0.00 C ATOM 1084 O MET A 71 11.363 2.908 -11.012 1.00 0.00 O ATOM 1085 CB MET A 71 12.122 0.094 -10.895 1.00 0.00 C ATOM 1086 CG MET A 71 13.655 0.279 -10.768 1.00 0.00 C ATOM 1087 SD MET A 71 14.480 -1.007 -9.788 1.00 0.00 S ATOM 1088 CE MET A 71 13.881 -0.703 -8.128 1.00 0.00 C ATOM 0 H MET A 71 9.561 0.366 -10.919 1.00 0.00 H new ATOM 0 HA MET A 71 11.623 0.493 -8.831 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.898 -0.972 -10.859 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.810 0.452 -11.876 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.092 0.296 -11.767 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.856 1.250 -10.316 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.617 -1.055 -7.405 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.719 0.366 -7.990 1.00 0.00 H new ATOM 0 HE3 MET A 71 12.941 -1.234 -7.977 1.00 0.00 H new ATOM 1098 N LEU A 72 11.599 2.994 -8.762 1.00 0.00 N ATOM 1099 CA LEU A 72 11.824 4.444 -8.665 1.00 0.00 C ATOM 1100 C LEU A 72 13.304 4.696 -8.341 1.00 0.00 C ATOM 1101 O LEU A 72 13.765 4.390 -7.244 1.00 0.00 O ATOM 1102 CB LEU A 72 10.884 5.099 -7.598 1.00 0.00 C ATOM 1103 CG LEU A 72 9.365 5.238 -7.981 1.00 0.00 C ATOM 1104 CD1 LEU A 72 9.180 6.042 -9.281 1.00 0.00 C ATOM 1105 CD2 LEU A 72 8.649 3.883 -8.084 1.00 0.00 C ATOM 0 H LEU A 72 11.582 2.526 -7.856 1.00 0.00 H new ATOM 0 HA LEU A 72 11.581 4.910 -9.620 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.951 4.513 -6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.269 6.093 -7.370 1.00 0.00 H new ATOM 0 HG LEU A 72 8.900 5.787 -7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.118 6.117 -9.514 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.595 7.042 -9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.696 5.537 -10.098 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.604 4.043 -8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.130 3.275 -8.850 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.704 3.369 -7.125 1.00 0.00 H new ATOM 1117 N ILE A 73 14.048 5.223 -9.327 1.00 0.00 N ATOM 1118 CA ILE A 73 15.488 5.475 -9.199 1.00 0.00 C ATOM 1119 C ILE A 73 15.718 6.720 -8.324 1.00 0.00 C ATOM 1120 O ILE A 73 15.426 7.856 -8.731 1.00 0.00 O ATOM 1121 CB ILE A 73 16.217 5.627 -10.603 1.00 0.00 C ATOM 1122 CG1 ILE A 73 16.257 4.260 -11.390 1.00 0.00 C ATOM 1123 CG2 ILE A 73 17.661 6.199 -10.445 1.00 0.00 C ATOM 1124 CD1 ILE A 73 14.913 3.682 -11.785 1.00 0.00 C ATOM 0 H ILE A 73 13.665 5.486 -10.235 1.00 0.00 H new ATOM 0 HA ILE A 73 15.932 4.602 -8.720 1.00 0.00 H new ATOM 0 HB ILE A 73 15.630 6.339 -11.183 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.850 4.401 -12.294 1.00 0.00 H new ATOM 0 HG13 ILE A 73 16.780 3.526 -10.777 1.00 0.00 H new ATOM 0 HG21 ILE A 73 18.126 6.288 -11.427 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.614 7.181 -9.975 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.252 5.527 -9.823 1.00 0.00 H new ATOM 0 HD11 ILE A 73 15.063 2.744 -12.319 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.319 3.499 -10.890 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.389 4.387 -12.430 1.00 0.00 H new ATOM 1136 N VAL A 74 16.165 6.452 -7.095 1.00 0.00 N ATOM 1137 CA VAL A 74 16.693 7.455 -6.178 1.00 0.00 C ATOM 1138 C VAL A 74 18.178 7.694 -6.507 1.00 0.00 C ATOM 1139 O VAL A 74 19.021 6.799 -6.332 1.00 0.00 O ATOM 1140 CB VAL A 74 16.530 6.996 -4.677 1.00 0.00 C ATOM 1141 CG1 VAL A 74 17.262 7.944 -3.695 1.00 0.00 C ATOM 1142 CG2 VAL A 74 15.031 6.865 -4.301 1.00 0.00 C ATOM 0 H VAL A 74 16.168 5.510 -6.705 1.00 0.00 H new ATOM 0 HA VAL A 74 16.132 8.381 -6.300 1.00 0.00 H new ATOM 0 HB VAL A 74 16.998 6.016 -4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 74 17.122 7.589 -2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 74 18.326 7.961 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.854 8.950 -3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.943 6.548 -3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.538 7.829 -4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.557 6.126 -4.947 1.00 0.00 H new ATOM 1152 N GLU A 75 18.478 8.890 -7.016 1.00 0.00 N ATOM 1153 CA GLU A 75 19.861 9.326 -7.262 1.00 0.00 C ATOM 1154 C GLU A 75 20.512 9.812 -5.950 1.00 0.00 C ATOM 1155 O GLU A 75 19.883 9.811 -4.892 1.00 0.00 O ATOM 1156 CB GLU A 75 19.887 10.447 -8.336 1.00 0.00 C ATOM 1157 CG GLU A 75 18.993 11.669 -8.014 1.00 0.00 C ATOM 1158 CD GLU A 75 19.209 12.863 -8.955 1.00 0.00 C ATOM 1159 OE1 GLU A 75 19.308 12.657 -10.185 1.00 0.00 O ATOM 1160 OE2 GLU A 75 19.293 14.011 -8.471 1.00 0.00 O ATOM 0 H GLU A 75 17.775 9.584 -7.270 1.00 0.00 H new ATOM 0 HA GLU A 75 20.435 8.478 -7.635 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.915 10.788 -8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.573 10.025 -9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.947 11.365 -8.063 1.00 0.00 H new ATOM 0 HG3 GLU A 75 19.185 11.987 -6.989 1.00 0.00 H new ATOM 1167 N GLU A 76 21.793 10.161 -6.032 1.00 0.00 N ATOM 1168 CA GLU A 76 22.511 10.867 -4.975 1.00 0.00 C ATOM 1169 C GLU A 76 23.396 11.933 -5.616 1.00 0.00 C ATOM 1170 O GLU A 76 24.304 11.602 -6.386 1.00 0.00 O ATOM 1171 CB GLU A 76 23.361 9.893 -4.142 1.00 0.00 C ATOM 1172 CG GLU A 76 24.192 10.548 -3.029 1.00 0.00 C ATOM 1173 CD GLU A 76 25.129 9.558 -2.321 1.00 0.00 C ATOM 1174 OE1 GLU A 76 26.009 8.970 -2.996 1.00 0.00 O ATOM 1175 OE2 GLU A 76 25.001 9.357 -1.096 1.00 0.00 O ATOM 0 H GLU A 76 22.371 9.958 -6.848 1.00 0.00 H new ATOM 0 HA GLU A 76 21.794 11.336 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.701 9.150 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.035 9.358 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.783 11.360 -3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.520 10.993 -2.295 1.00 0.00 H new ATOM 1182 N ASP A 77 23.118 13.198 -5.306 1.00 0.00 N ATOM 1183 CA ASP A 77 23.854 14.348 -5.842 1.00 0.00 C ATOM 1184 C ASP A 77 24.820 14.907 -4.768 1.00 0.00 C ATOM 1185 O ASP A 77 25.782 15.606 -5.097 1.00 0.00 O ATOM 1186 CB ASP A 77 22.837 15.424 -6.313 1.00 0.00 C ATOM 1187 CG ASP A 77 23.470 16.478 -7.237 1.00 0.00 C ATOM 1188 OD1 ASP A 77 23.527 16.247 -8.466 1.00 0.00 O ATOM 1189 OD2 ASP A 77 23.931 17.529 -6.751 1.00 0.00 O ATOM 0 H ASP A 77 22.366 13.459 -4.668 1.00 0.00 H new ATOM 0 HA ASP A 77 24.457 14.043 -6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 77 22.015 14.936 -6.836 1.00 0.00 H new ATOM 0 HB3 ASP A 77 22.411 15.921 -5.441 1.00 0.00 H new