USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=14 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= -0.129 K(o=-0.87,f=-4.1!) USER MOD Set 1.2: A 41 GLN : amide:sc= -0.736 K(o=-0.87,f=-2.3) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 180:sc= 0.81 (180deg=0) USER MOD Set 2.2: A 11 THR OG1 : rot 28:sc= 1.08 USER MOD Single : A 1 TRP N :NH3+ -127:sc= 1 (180deg=0.225) USER MOD Single : A 5 CYS SG : rot 32:sc= -4.23! USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -1.89! X(o=-1.9!,f=-1.4) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -140:sc= 0.728 USER MOD Single : A 29 GLN : amide:sc= -1.35 K(o=-1.4,f=-0.039) USER MOD Single : A 34 THR OG1 : rot -36:sc= 0.0794 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -99:sc= 0.357 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -56:sc= 0.261 USER MOD Single : A 71 MET CE :methyl -136:sc= -1.42 (180deg=-5.14!) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.725 0.214 0.086 1.00 0.00 N ATOM 2 CA TRP A 1 2.455 0.057 -1.189 1.00 0.00 C ATOM 3 C TRP A 1 3.928 -0.276 -0.891 1.00 0.00 C ATOM 4 O TRP A 1 4.688 0.598 -0.449 1.00 0.00 O ATOM 5 CB TRP A 1 2.363 1.350 -2.060 1.00 0.00 C ATOM 6 CG TRP A 1 0.983 1.704 -2.573 1.00 0.00 C ATOM 7 CD1 TRP A 1 -0.229 1.225 -2.145 1.00 0.00 C ATOM 8 CD2 TRP A 1 0.689 2.644 -3.617 1.00 0.00 C ATOM 9 NE1 TRP A 1 -1.241 1.788 -2.870 1.00 0.00 N ATOM 10 CE2 TRP A 1 -0.709 2.660 -3.779 1.00 0.00 C ATOM 11 CE3 TRP A 1 1.471 3.463 -4.438 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -1.341 3.470 -4.720 1.00 0.00 C ATOM 13 CZ3 TRP A 1 0.840 4.268 -5.371 1.00 0.00 C ATOM 14 CH2 TRP A 1 -0.553 4.264 -5.510 1.00 0.00 C ATOM 0 H1 TRP A 1 0.885 -0.400 0.083 1.00 0.00 H new ATOM 0 H2 TRP A 1 2.346 -0.052 0.877 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.429 1.205 0.197 1.00 0.00 H new ATOM 0 HA TRP A 1 1.998 -0.756 -1.754 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.737 2.188 -1.472 1.00 0.00 H new ATOM 0 HB3 TRP A 1 3.030 1.237 -2.915 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -0.364 0.507 -1.350 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -2.235 1.590 -2.752 1.00 0.00 H new ATOM 0 HE3 TRP A 1 2.547 3.467 -4.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -2.416 3.472 -4.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 1.434 4.911 -6.004 1.00 0.00 H new ATOM 0 HH2 TRP A 1 -1.014 4.898 -6.253 1.00 0.00 H new ATOM 27 N ARG A 2 4.311 -1.549 -1.098 1.00 0.00 N ATOM 28 CA ARG A 2 5.709 -1.989 -1.014 1.00 0.00 C ATOM 29 C ARG A 2 6.423 -1.653 -2.332 1.00 0.00 C ATOM 30 O ARG A 2 6.347 -2.409 -3.303 1.00 0.00 O ATOM 31 CB ARG A 2 5.795 -3.508 -0.704 1.00 0.00 C ATOM 32 CG ARG A 2 5.342 -3.901 0.721 1.00 0.00 C ATOM 33 CD ARG A 2 5.607 -5.382 1.020 1.00 0.00 C ATOM 34 NE ARG A 2 5.168 -5.774 2.366 1.00 0.00 N ATOM 35 CZ ARG A 2 4.976 -7.039 2.771 1.00 0.00 C ATOM 36 NH1 ARG A 2 5.161 -8.052 1.939 1.00 0.00 N ATOM 37 NH2 ARG A 2 4.591 -7.283 4.007 1.00 0.00 N ATOM 0 H ARG A 2 3.658 -2.298 -1.328 1.00 0.00 H new ATOM 0 HA ARG A 2 6.203 -1.464 -0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.184 -4.048 -1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.824 -3.837 -0.848 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.866 -3.284 1.451 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.278 -3.693 0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.092 -5.996 0.281 1.00 0.00 H new ATOM 0 HD3 ARG A 2 6.673 -5.585 0.916 1.00 0.00 H new ATOM 0 HE ARG A 2 4.997 -5.030 3.042 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.453 -7.876 0.978 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.012 -9.009 2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.439 -6.511 4.656 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.445 -8.244 4.315 1.00 0.00 H new ATOM 51 N VAL A 3 7.089 -0.494 -2.353 1.00 0.00 N ATOM 52 CA VAL A 3 7.720 0.078 -3.558 1.00 0.00 C ATOM 53 C VAL A 3 9.250 0.009 -3.429 1.00 0.00 C ATOM 54 O VAL A 3 9.785 0.177 -2.334 1.00 0.00 O ATOM 55 CB VAL A 3 7.246 1.566 -3.748 1.00 0.00 C ATOM 56 CG1 VAL A 3 7.871 2.215 -4.997 1.00 0.00 C ATOM 57 CG2 VAL A 3 5.698 1.649 -3.793 1.00 0.00 C ATOM 0 H VAL A 3 7.210 0.086 -1.523 1.00 0.00 H new ATOM 0 HA VAL A 3 7.421 -0.498 -4.433 1.00 0.00 H new ATOM 0 HB VAL A 3 7.596 2.132 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.517 3.242 -5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.957 2.213 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.582 1.650 -5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.393 2.687 -3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.326 1.053 -4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.286 1.266 -2.860 1.00 0.00 H new ATOM 67 N ARG A 4 9.949 -0.233 -4.555 1.00 0.00 N ATOM 68 CA ARG A 4 11.417 -0.405 -4.570 1.00 0.00 C ATOM 69 C ARG A 4 12.118 0.891 -5.023 1.00 0.00 C ATOM 70 O ARG A 4 11.627 1.575 -5.930 1.00 0.00 O ATOM 71 CB ARG A 4 11.805 -1.585 -5.499 1.00 0.00 C ATOM 72 CG ARG A 4 11.276 -2.959 -5.039 1.00 0.00 C ATOM 73 CD ARG A 4 11.766 -4.110 -5.925 1.00 0.00 C ATOM 74 NE ARG A 4 11.281 -5.419 -5.454 1.00 0.00 N ATOM 75 CZ ARG A 4 11.394 -6.570 -6.133 1.00 0.00 C ATOM 76 NH1 ARG A 4 12.001 -6.616 -7.311 1.00 0.00 N ATOM 77 NH2 ARG A 4 10.918 -7.682 -5.615 1.00 0.00 N ATOM 0 H ARG A 4 9.516 -0.315 -5.475 1.00 0.00 H new ATOM 0 HA ARG A 4 11.748 -0.631 -3.556 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.428 -1.381 -6.501 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.892 -1.633 -5.571 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.590 -3.139 -4.011 1.00 0.00 H new ATOM 0 HG3 ARG A 4 10.186 -2.943 -5.041 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.430 -3.947 -6.949 1.00 0.00 H new ATOM 0 HD3 ARG A 4 12.856 -4.113 -5.944 1.00 0.00 H new ATOM 0 HE ARG A 4 10.825 -5.452 -4.542 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.392 -5.766 -7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 4 12.077 -7.502 -7.812 1.00 0.00 H new ATOM 0 HH21 ARG A 4 10.466 -7.666 -4.701 1.00 0.00 H new ATOM 0 HH22 ARG A 4 11.001 -8.560 -6.127 1.00 0.00 H new ATOM 91 N CYS A 5 13.279 1.214 -4.397 1.00 0.00 N ATOM 92 CA CYS A 5 14.092 2.396 -4.759 1.00 0.00 C ATOM 93 C CYS A 5 15.535 1.992 -5.140 1.00 0.00 C ATOM 94 O CYS A 5 16.298 1.518 -4.296 1.00 0.00 O ATOM 95 CB CYS A 5 14.096 3.436 -3.613 1.00 0.00 C ATOM 96 SG CYS A 5 14.901 2.894 -2.090 1.00 0.00 S ATOM 0 H CYS A 5 13.672 0.665 -3.633 1.00 0.00 H new ATOM 0 HA CYS A 5 13.634 2.856 -5.635 1.00 0.00 H new ATOM 0 HB2 CYS A 5 14.592 4.340 -3.966 1.00 0.00 H new ATOM 0 HB3 CYS A 5 13.065 3.706 -3.385 1.00 0.00 H new ATOM 0 HG CYS A 5 15.870 2.076 -2.378 1.00 0.00 H new ATOM 102 N LYS A 6 15.883 2.169 -6.432 1.00 0.00 N ATOM 103 CA LYS A 6 17.237 1.908 -6.957 1.00 0.00 C ATOM 104 C LYS A 6 18.135 3.119 -6.639 1.00 0.00 C ATOM 105 O LYS A 6 18.000 4.172 -7.271 1.00 0.00 O ATOM 106 CB LYS A 6 17.181 1.669 -8.490 1.00 0.00 C ATOM 107 CG LYS A 6 18.509 1.170 -9.128 1.00 0.00 C ATOM 108 CD LYS A 6 18.750 -0.347 -8.914 1.00 0.00 C ATOM 109 CE LYS A 6 17.739 -1.215 -9.699 1.00 0.00 C ATOM 110 NZ LYS A 6 17.976 -2.673 -9.515 1.00 0.00 N ATOM 0 H LYS A 6 15.229 2.498 -7.142 1.00 0.00 H new ATOM 0 HA LYS A 6 17.647 1.014 -6.487 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.398 0.940 -8.700 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.889 2.599 -8.977 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.495 1.383 -10.197 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.343 1.729 -8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.763 -0.600 -9.227 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.677 -0.579 -7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.727 -0.971 -9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.802 -0.971 -10.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.273 -3.211 -10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.931 -2.914 -9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.890 -2.914 -8.507 1.00 0.00 H new ATOM 124 N ALA A 7 19.033 2.960 -5.666 1.00 0.00 N ATOM 125 CA ALA A 7 19.829 4.075 -5.114 1.00 0.00 C ATOM 126 C ALA A 7 21.292 3.655 -4.861 1.00 0.00 C ATOM 127 O ALA A 7 21.731 2.614 -5.359 1.00 0.00 O ATOM 128 CB ALA A 7 19.153 4.598 -3.836 1.00 0.00 C ATOM 0 H ALA A 7 19.234 2.058 -5.234 1.00 0.00 H new ATOM 0 HA ALA A 7 19.865 4.883 -5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.738 5.421 -3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.149 4.949 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 7 19.092 3.795 -3.102 1.00 0.00 H new ATOM 170 N THR A 11 18.932 -1.595 -4.522 1.00 0.00 N ATOM 171 CA THR A 11 17.462 -1.614 -4.471 1.00 0.00 C ATOM 172 C THR A 11 16.976 -1.828 -3.014 1.00 0.00 C ATOM 173 O THR A 11 17.220 -2.886 -2.426 1.00 0.00 O ATOM 174 CB THR A 11 16.901 -2.745 -5.395 1.00 0.00 C ATOM 175 OG1 THR A 11 17.640 -2.775 -6.622 1.00 0.00 O ATOM 176 CG2 THR A 11 15.411 -2.546 -5.718 1.00 0.00 C ATOM 0 HA THR A 11 17.091 -0.653 -4.827 1.00 0.00 H new ATOM 0 HB THR A 11 17.008 -3.686 -4.856 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.547 -2.437 -6.466 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.067 -3.355 -6.362 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.835 -2.548 -4.793 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.274 -1.593 -6.229 1.00 0.00 H new ATOM 184 N HIS A 12 16.336 -0.799 -2.430 1.00 0.00 N ATOM 185 CA HIS A 12 15.716 -0.863 -1.085 1.00 0.00 C ATOM 186 C HIS A 12 14.189 -0.956 -1.227 1.00 0.00 C ATOM 187 O HIS A 12 13.666 -0.965 -2.346 1.00 0.00 O ATOM 188 CB HIS A 12 16.107 0.370 -0.225 1.00 0.00 C ATOM 189 CG HIS A 12 17.563 0.433 0.170 1.00 0.00 C ATOM 190 ND1 HIS A 12 17.976 0.449 1.482 1.00 0.00 N ATOM 191 CD2 HIS A 12 18.698 0.470 -0.570 1.00 0.00 C ATOM 192 CE1 HIS A 12 19.285 0.482 1.532 1.00 0.00 C ATOM 193 NE2 HIS A 12 19.754 0.494 0.303 1.00 0.00 N ATOM 0 H HIS A 12 16.231 0.111 -2.879 1.00 0.00 H new ATOM 0 HA HIS A 12 16.087 -1.752 -0.574 1.00 0.00 H new ATOM 0 HB2 HIS A 12 15.856 1.275 -0.778 1.00 0.00 H new ATOM 0 HB3 HIS A 12 15.500 0.371 0.680 1.00 0.00 H new ATOM 0 HD2 HIS A 12 18.759 0.479 -1.648 1.00 0.00 H new ATOM 0 HE1 HIS A 12 19.880 0.497 2.433 1.00 0.00 H new ATOM 0 HE2 HIS A 12 20.740 0.517 0.043 1.00 0.00 H new ATOM 202 N LEU A 13 13.486 -1.036 -0.085 1.00 0.00 N ATOM 203 CA LEU A 13 12.022 -1.163 -0.044 1.00 0.00 C ATOM 204 C LEU A 13 11.463 -0.114 0.941 1.00 0.00 C ATOM 205 O LEU A 13 11.937 -0.015 2.077 1.00 0.00 O ATOM 206 CB LEU A 13 11.633 -2.621 0.383 1.00 0.00 C ATOM 207 CG LEU A 13 10.235 -3.173 -0.070 1.00 0.00 C ATOM 208 CD1 LEU A 13 9.067 -2.361 0.503 1.00 0.00 C ATOM 209 CD2 LEU A 13 10.147 -3.265 -1.605 1.00 0.00 C ATOM 0 H LEU A 13 13.920 -1.014 0.838 1.00 0.00 H new ATOM 0 HA LEU A 13 11.592 -0.980 -1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.398 -3.296 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.676 -2.673 1.471 1.00 0.00 H new ATOM 0 HG LEU A 13 10.147 -4.179 0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.124 -2.786 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.102 -2.392 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.143 -1.327 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.168 -3.650 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.288 -2.274 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.923 -3.936 -1.974 1.00 0.00 H new ATOM 221 N LEU A 14 10.461 0.658 0.479 1.00 0.00 N ATOM 222 CA LEU A 14 9.760 1.677 1.275 1.00 0.00 C ATOM 223 C LEU A 14 8.418 1.116 1.780 1.00 0.00 C ATOM 224 O LEU A 14 7.545 0.743 0.975 1.00 0.00 O ATOM 225 CB LEU A 14 9.493 2.968 0.441 1.00 0.00 C ATOM 226 CG LEU A 14 10.740 3.777 -0.060 1.00 0.00 C ATOM 227 CD1 LEU A 14 11.470 3.065 -1.220 1.00 0.00 C ATOM 228 CD2 LEU A 14 10.347 5.219 -0.458 1.00 0.00 C ATOM 0 H LEU A 14 10.111 0.588 -0.477 1.00 0.00 H new ATOM 0 HA LEU A 14 10.399 1.936 2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.901 2.689 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.878 3.637 1.044 1.00 0.00 H new ATOM 0 HG LEU A 14 11.439 3.831 0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.326 3.663 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.814 2.086 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.786 2.943 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.232 5.756 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.609 5.187 -1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.924 5.732 0.405 1.00 0.00 H new ATOM 240 N GLN A 15 8.277 1.041 3.111 1.00 0.00 N ATOM 241 CA GLN A 15 7.006 0.701 3.776 1.00 0.00 C ATOM 242 C GLN A 15 6.266 1.997 4.145 1.00 0.00 C ATOM 243 O GLN A 15 6.892 3.052 4.277 1.00 0.00 O ATOM 244 CB GLN A 15 7.281 -0.139 5.053 1.00 0.00 C ATOM 245 CG GLN A 15 8.054 -1.455 4.816 1.00 0.00 C ATOM 246 CD GLN A 15 7.293 -2.507 3.999 1.00 0.00 C ATOM 247 OE1 GLN A 15 6.069 -2.575 4.015 1.00 0.00 O ATOM 248 NE2 GLN A 15 8.015 -3.369 3.310 1.00 0.00 N ATOM 0 H GLN A 15 9.043 1.215 3.761 1.00 0.00 H new ATOM 0 HA GLN A 15 6.388 0.111 3.099 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.844 0.473 5.758 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.328 -0.375 5.526 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.989 -1.224 4.305 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.317 -1.885 5.782 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.032 -3.296 3.309 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.556 -4.108 2.778 1.00 0.00 H new ATOM 257 N GLY A 16 4.936 1.909 4.307 1.00 0.00 N ATOM 258 CA GLY A 16 4.113 3.044 4.754 1.00 0.00 C ATOM 259 C GLY A 16 3.560 3.907 3.622 1.00 0.00 C ATOM 260 O GLY A 16 2.749 4.809 3.881 1.00 0.00 O ATOM 0 H GLY A 16 4.404 1.056 4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.280 2.663 5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.710 3.672 5.415 1.00 0.00 H new ATOM 264 N LEU A 17 3.993 3.641 2.369 1.00 0.00 N ATOM 265 CA LEU A 17 3.505 4.371 1.186 1.00 0.00 C ATOM 266 C LEU A 17 2.039 3.997 0.902 1.00 0.00 C ATOM 267 O LEU A 17 1.721 2.840 0.678 1.00 0.00 O ATOM 268 CB LEU A 17 4.385 4.091 -0.064 1.00 0.00 C ATOM 269 CG LEU A 17 5.841 4.658 -0.026 1.00 0.00 C ATOM 270 CD1 LEU A 17 6.587 4.353 -1.342 1.00 0.00 C ATOM 271 CD2 LEU A 17 5.843 6.177 0.273 1.00 0.00 C ATOM 0 H LEU A 17 4.683 2.921 2.155 1.00 0.00 H new ATOM 0 HA LEU A 17 3.569 5.438 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.442 3.012 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.880 4.503 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 17 6.371 4.159 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.598 4.758 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.636 3.274 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.055 4.811 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.870 6.543 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.286 6.701 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.374 6.358 1.240 1.00 0.00 H new ATOM 283 N SER A 18 1.166 4.987 0.961 1.00 0.00 N ATOM 284 CA SER A 18 -0.260 4.847 0.654 1.00 0.00 C ATOM 285 C SER A 18 -0.598 5.659 -0.603 1.00 0.00 C ATOM 286 O SER A 18 0.238 6.409 -1.102 1.00 0.00 O ATOM 287 CB SER A 18 -1.076 5.318 1.873 1.00 0.00 C ATOM 288 OG SER A 18 -0.716 4.581 3.035 1.00 0.00 O ATOM 0 H SER A 18 1.428 5.936 1.229 1.00 0.00 H new ATOM 0 HA SER A 18 -0.510 3.806 0.451 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.904 6.381 2.043 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.141 5.195 1.674 1.00 0.00 H new ATOM 0 HG SER A 18 -1.244 4.896 3.799 1.00 0.00 H new ATOM 294 N SER A 19 -1.835 5.513 -1.092 1.00 0.00 N ATOM 295 CA SER A 19 -2.303 6.139 -2.345 1.00 0.00 C ATOM 296 C SER A 19 -2.197 7.684 -2.318 1.00 0.00 C ATOM 297 O SER A 19 -1.888 8.313 -3.339 1.00 0.00 O ATOM 298 CB SER A 19 -3.758 5.700 -2.609 1.00 0.00 C ATOM 299 OG SER A 19 -4.606 6.043 -1.521 1.00 0.00 O ATOM 0 H SER A 19 -2.550 4.953 -0.628 1.00 0.00 H new ATOM 0 HA SER A 19 -1.654 5.803 -3.153 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.123 6.173 -3.521 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.791 4.623 -2.773 1.00 0.00 H new ATOM 0 HG SER A 19 -5.522 5.754 -1.717 1.00 0.00 H new ATOM 305 N ARG A 20 -2.434 8.275 -1.131 1.00 0.00 N ATOM 306 CA ARG A 20 -2.497 9.742 -0.947 1.00 0.00 C ATOM 307 C ARG A 20 -1.156 10.339 -0.472 1.00 0.00 C ATOM 308 O ARG A 20 -1.099 11.546 -0.199 1.00 0.00 O ATOM 309 CB ARG A 20 -3.607 10.092 0.089 1.00 0.00 C ATOM 310 CG ARG A 20 -3.348 9.504 1.498 1.00 0.00 C ATOM 311 CD ARG A 20 -4.294 10.055 2.572 1.00 0.00 C ATOM 312 NE ARG A 20 -4.007 9.468 3.897 1.00 0.00 N ATOM 313 CZ ARG A 20 -4.441 9.953 5.071 1.00 0.00 C ATOM 314 NH1 ARG A 20 -5.149 11.069 5.129 1.00 0.00 N ATOM 315 NH2 ARG A 20 -4.148 9.318 6.190 1.00 0.00 N ATOM 0 H ARG A 20 -2.588 7.750 -0.270 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.726 10.177 -1.920 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.691 11.176 0.167 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.565 9.724 -0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.451 8.420 1.455 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.319 9.715 1.788 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.196 11.139 2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.326 9.842 2.294 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.432 8.626 3.922 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.373 11.576 4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.471 11.423 6.030 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.594 8.462 6.161 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.476 9.683 7.084 1.00 0.00 H new ATOM 329 N THR A 21 -0.101 9.503 -0.354 1.00 0.00 N ATOM 330 CA THR A 21 1.219 9.942 0.124 1.00 0.00 C ATOM 331 C THR A 21 1.763 11.126 -0.717 1.00 0.00 C ATOM 332 O THR A 21 2.022 11.001 -1.922 1.00 0.00 O ATOM 333 CB THR A 21 2.218 8.744 0.143 1.00 0.00 C ATOM 334 OG1 THR A 21 1.788 7.799 1.133 1.00 0.00 O ATOM 335 CG2 THR A 21 3.668 9.157 0.428 1.00 0.00 C ATOM 0 H THR A 21 -0.145 8.511 -0.587 1.00 0.00 H new ATOM 0 HA THR A 21 1.107 10.304 1.146 1.00 0.00 H new ATOM 0 HB THR A 21 2.212 8.307 -0.855 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.568 7.446 1.609 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.305 8.273 0.426 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.007 9.850 -0.342 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.723 9.642 1.403 1.00 0.00 H new ATOM 343 N ARG A 22 1.863 12.294 -0.050 1.00 0.00 N ATOM 344 CA ARG A 22 2.381 13.535 -0.644 1.00 0.00 C ATOM 345 C ARG A 22 3.904 13.438 -0.831 1.00 0.00 C ATOM 346 O ARG A 22 4.536 12.495 -0.345 1.00 0.00 O ATOM 347 CB ARG A 22 2.022 14.750 0.262 1.00 0.00 C ATOM 348 CG ARG A 22 0.507 14.910 0.533 1.00 0.00 C ATOM 349 CD ARG A 22 0.184 16.111 1.442 1.00 0.00 C ATOM 350 NE ARG A 22 -1.253 16.186 1.754 1.00 0.00 N ATOM 351 CZ ARG A 22 -1.870 17.207 2.371 1.00 0.00 C ATOM 352 NH1 ARG A 22 -1.205 18.295 2.725 1.00 0.00 N ATOM 353 NH2 ARG A 22 -3.167 17.138 2.625 1.00 0.00 N ATOM 0 H ARG A 22 1.583 12.399 0.925 1.00 0.00 H new ATOM 0 HA ARG A 22 1.920 13.679 -1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.542 14.645 1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.395 15.661 -0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.016 15.028 -0.416 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.127 13.999 0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.754 16.031 2.368 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.499 17.033 0.953 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.831 15.392 1.477 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.207 18.368 2.530 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.691 19.060 3.193 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.697 16.310 2.352 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.637 17.913 3.094 1.00 0.00 H new ATOM 367 N LEU A 23 4.477 14.440 -1.513 1.00 0.00 N ATOM 368 CA LEU A 23 5.927 14.544 -1.747 1.00 0.00 C ATOM 369 C LEU A 23 6.686 14.597 -0.412 1.00 0.00 C ATOM 370 O LEU A 23 7.642 13.862 -0.218 1.00 0.00 O ATOM 371 CB LEU A 23 6.206 15.793 -2.629 1.00 0.00 C ATOM 372 CG LEU A 23 7.705 16.144 -2.974 1.00 0.00 C ATOM 373 CD1 LEU A 23 7.802 16.853 -4.333 1.00 0.00 C ATOM 374 CD2 LEU A 23 8.388 17.014 -1.879 1.00 0.00 C ATOM 0 H LEU A 23 3.944 15.208 -1.922 1.00 0.00 H new ATOM 0 HA LEU A 23 6.285 13.661 -2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.670 15.663 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.768 16.657 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 23 8.238 15.194 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.845 17.085 -4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.406 16.202 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.224 17.776 -4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.417 17.224 -2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.844 17.952 -1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.382 16.476 -0.931 1.00 0.00 H new ATOM 386 N ARG A 24 6.220 15.460 0.509 1.00 0.00 N ATOM 387 CA ARG A 24 6.873 15.669 1.822 1.00 0.00 C ATOM 388 C ARG A 24 6.894 14.377 2.684 1.00 0.00 C ATOM 389 O ARG A 24 7.757 14.214 3.555 1.00 0.00 O ATOM 390 CB ARG A 24 6.206 16.874 2.558 1.00 0.00 C ATOM 391 CG ARG A 24 4.666 16.777 2.818 1.00 0.00 C ATOM 392 CD ARG A 24 4.285 15.991 4.094 1.00 0.00 C ATOM 393 NE ARG A 24 4.898 16.567 5.308 1.00 0.00 N ATOM 394 CZ ARG A 24 4.476 16.371 6.569 1.00 0.00 C ATOM 395 NH1 ARG A 24 3.406 15.637 6.835 1.00 0.00 N ATOM 396 NH2 ARG A 24 5.124 16.941 7.563 1.00 0.00 N ATOM 0 H ARG A 24 5.386 16.030 0.369 1.00 0.00 H new ATOM 0 HA ARG A 24 7.921 15.916 1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.705 17.004 3.518 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.396 17.775 1.975 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.257 17.785 2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.193 16.302 1.958 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.201 15.985 4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.601 14.953 3.987 1.00 0.00 H new ATOM 0 HE ARG A 24 5.713 17.166 5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.882 15.205 6.074 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.106 15.504 7.801 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.938 17.525 7.373 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.812 16.799 8.524 1.00 0.00 H new ATOM 410 N GLU A 25 5.931 13.471 2.417 1.00 0.00 N ATOM 411 CA GLU A 25 5.854 12.148 3.064 1.00 0.00 C ATOM 412 C GLU A 25 6.868 11.183 2.409 1.00 0.00 C ATOM 413 O GLU A 25 7.702 10.581 3.087 1.00 0.00 O ATOM 414 CB GLU A 25 4.419 11.562 2.912 1.00 0.00 C ATOM 415 CG GLU A 25 3.260 12.437 3.439 1.00 0.00 C ATOM 416 CD GLU A 25 3.152 12.566 4.973 1.00 0.00 C ATOM 417 OE1 GLU A 25 3.854 11.847 5.720 1.00 0.00 O ATOM 418 OE2 GLU A 25 2.325 13.382 5.436 1.00 0.00 O ATOM 0 H GLU A 25 5.183 13.638 1.744 1.00 0.00 H new ATOM 0 HA GLU A 25 6.089 12.262 4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.242 11.361 1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.385 10.603 3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.365 13.436 3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.322 12.029 3.062 1.00 0.00 H new ATOM 425 N LEU A 26 6.772 11.091 1.067 1.00 0.00 N ATOM 426 CA LEU A 26 7.526 10.149 0.217 1.00 0.00 C ATOM 427 C LEU A 26 9.049 10.400 0.317 1.00 0.00 C ATOM 428 O LEU A 26 9.805 9.485 0.651 1.00 0.00 O ATOM 429 CB LEU A 26 6.953 10.271 -1.243 1.00 0.00 C ATOM 430 CG LEU A 26 7.609 9.457 -2.429 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.730 10.253 -3.119 1.00 0.00 C ATOM 432 CD2 LEU A 26 8.100 8.056 -1.988 1.00 0.00 C ATOM 0 H LEU A 26 6.147 11.690 0.528 1.00 0.00 H new ATOM 0 HA LEU A 26 7.398 9.120 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.901 9.989 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.989 11.325 -1.517 1.00 0.00 H new ATOM 0 HG LEU A 26 6.819 9.297 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.154 9.658 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.322 11.179 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.509 10.487 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.542 7.540 -2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.847 8.163 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.257 7.477 -1.611 1.00 0.00 H new ATOM 444 N GLN A 27 9.463 11.644 0.040 1.00 0.00 N ATOM 445 CA GLN A 27 10.872 12.099 0.138 1.00 0.00 C ATOM 446 C GLN A 27 11.446 11.896 1.553 1.00 0.00 C ATOM 447 O GLN A 27 12.641 11.600 1.713 1.00 0.00 O ATOM 448 CB GLN A 27 10.972 13.596 -0.253 1.00 0.00 C ATOM 449 CG GLN A 27 10.537 13.917 -1.693 1.00 0.00 C ATOM 450 CD GLN A 27 11.496 13.381 -2.750 1.00 0.00 C ATOM 451 OE1 GLN A 27 11.344 12.264 -3.236 1.00 0.00 O ATOM 452 NE2 GLN A 27 12.489 14.181 -3.125 1.00 0.00 N ATOM 0 H GLN A 27 8.825 12.380 -0.264 1.00 0.00 H new ATOM 0 HA GLN A 27 11.460 11.494 -0.551 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.359 14.178 0.435 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.003 13.924 -0.118 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.546 13.498 -1.867 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.451 14.998 -1.806 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.588 15.104 -2.702 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.152 13.872 -3.836 1.00 0.00 H new ATOM 461 N GLY A 28 10.568 12.059 2.564 1.00 0.00 N ATOM 462 CA GLY A 28 10.938 11.873 3.969 1.00 0.00 C ATOM 463 C GLY A 28 11.230 10.409 4.286 1.00 0.00 C ATOM 464 O GLY A 28 12.124 10.096 5.085 1.00 0.00 O ATOM 0 H GLY A 28 9.592 12.321 2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.816 12.477 4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.131 12.230 4.608 1.00 0.00 H new ATOM 468 N GLN A 29 10.485 9.506 3.612 1.00 0.00 N ATOM 469 CA GLN A 29 10.639 8.054 3.775 1.00 0.00 C ATOM 470 C GLN A 29 11.883 7.563 3.033 1.00 0.00 C ATOM 471 O GLN A 29 12.586 6.708 3.536 1.00 0.00 O ATOM 472 CB GLN A 29 9.377 7.304 3.284 1.00 0.00 C ATOM 473 CG GLN A 29 8.124 7.546 4.157 1.00 0.00 C ATOM 474 CD GLN A 29 6.898 6.734 3.735 1.00 0.00 C ATOM 475 OE1 GLN A 29 5.755 7.165 3.910 1.00 0.00 O ATOM 476 NE2 GLN A 29 7.119 5.550 3.183 1.00 0.00 N ATOM 0 H GLN A 29 9.762 9.768 2.942 1.00 0.00 H new ATOM 0 HA GLN A 29 10.763 7.842 4.837 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.159 7.611 2.261 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.589 6.235 3.258 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.365 7.307 5.193 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.872 8.606 4.125 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.075 5.219 3.051 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.333 4.969 2.890 1.00 0.00 H new ATOM 485 N ILE A 30 12.140 8.119 1.836 1.00 0.00 N ATOM 486 CA ILE A 30 13.364 7.831 1.047 1.00 0.00 C ATOM 487 C ILE A 30 14.634 8.149 1.872 1.00 0.00 C ATOM 488 O ILE A 30 15.583 7.365 1.907 1.00 0.00 O ATOM 489 CB ILE A 30 13.382 8.669 -0.288 1.00 0.00 C ATOM 490 CG1 ILE A 30 12.215 8.240 -1.229 1.00 0.00 C ATOM 491 CG2 ILE A 30 14.747 8.574 -1.018 1.00 0.00 C ATOM 492 CD1 ILE A 30 12.091 9.060 -2.493 1.00 0.00 C ATOM 0 H ILE A 30 11.509 8.781 1.383 1.00 0.00 H new ATOM 0 HA ILE A 30 13.355 6.770 0.799 1.00 0.00 H new ATOM 0 HB ILE A 30 13.237 9.714 -0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.352 7.194 -1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.278 8.305 -0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.713 9.167 -1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.535 8.955 -0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.954 7.533 -1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.254 8.691 -3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.919 10.105 -2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 30 13.010 8.976 -3.073 1.00 0.00 H new ATOM 504 N ALA A 31 14.608 9.300 2.549 1.00 0.00 N ATOM 505 CA ALA A 31 15.695 9.748 3.437 1.00 0.00 C ATOM 506 C ALA A 31 15.874 8.801 4.654 1.00 0.00 C ATOM 507 O ALA A 31 16.949 8.735 5.245 1.00 0.00 O ATOM 508 CB ALA A 31 15.427 11.194 3.863 1.00 0.00 C ATOM 0 H ALA A 31 13.828 9.955 2.499 1.00 0.00 H new ATOM 0 HA ALA A 31 16.639 9.712 2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.227 11.534 4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.387 11.832 2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.475 11.247 4.392 1.00 0.00 H new ATOM 514 N ALA A 32 14.797 8.080 5.009 1.00 0.00 N ATOM 515 CA ALA A 32 14.795 7.091 6.110 1.00 0.00 C ATOM 516 C ALA A 32 15.188 5.670 5.621 1.00 0.00 C ATOM 517 O ALA A 32 15.738 4.876 6.389 1.00 0.00 O ATOM 518 CB ALA A 32 13.404 7.063 6.770 1.00 0.00 C ATOM 0 H ALA A 32 13.896 8.165 4.539 1.00 0.00 H new ATOM 0 HA ALA A 32 15.546 7.397 6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.401 6.335 7.581 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.170 8.051 7.168 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.655 6.784 6.029 1.00 0.00 H new ATOM 524 N ILE A 33 14.900 5.368 4.335 1.00 0.00 N ATOM 525 CA ILE A 33 15.043 4.010 3.744 1.00 0.00 C ATOM 526 C ILE A 33 16.430 3.807 3.108 1.00 0.00 C ATOM 527 O ILE A 33 17.118 2.812 3.375 1.00 0.00 O ATOM 528 CB ILE A 33 13.891 3.760 2.676 1.00 0.00 C ATOM 529 CG1 ILE A 33 12.498 3.614 3.384 1.00 0.00 C ATOM 530 CG2 ILE A 33 14.167 2.540 1.759 1.00 0.00 C ATOM 531 CD1 ILE A 33 12.390 2.410 4.307 1.00 0.00 C ATOM 0 H ILE A 33 14.559 6.062 3.670 1.00 0.00 H new ATOM 0 HA ILE A 33 14.949 3.280 4.548 1.00 0.00 H new ATOM 0 HB ILE A 33 13.873 4.638 2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 33 12.299 4.518 3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 33 11.722 3.544 2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.345 2.422 1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 33 15.096 2.699 1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 33 14.254 1.640 2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.397 2.383 4.755 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.554 1.497 3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.141 2.486 5.093 1.00 0.00 H new ATOM 543 N THR A 34 16.822 4.750 2.249 1.00 0.00 N ATOM 544 CA THR A 34 18.099 4.698 1.517 1.00 0.00 C ATOM 545 C THR A 34 19.029 5.866 1.926 1.00 0.00 C ATOM 546 O THR A 34 20.177 5.929 1.491 1.00 0.00 O ATOM 547 CB THR A 34 17.839 4.678 -0.027 1.00 0.00 C ATOM 548 OG1 THR A 34 19.053 4.432 -0.734 1.00 0.00 O ATOM 549 CG2 THR A 34 17.204 5.978 -0.537 1.00 0.00 C ATOM 0 H THR A 34 16.263 5.577 2.037 1.00 0.00 H new ATOM 0 HA THR A 34 18.613 3.775 1.784 1.00 0.00 H new ATOM 0 HB THR A 34 17.131 3.871 -0.212 1.00 0.00 H new ATOM 0 HG1 THR A 34 19.796 4.875 -0.273 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.046 5.908 -1.613 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.247 6.135 -0.039 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.867 6.816 -0.321 1.00 0.00 H new ATOM 557 N GLY A 35 18.523 6.797 2.758 1.00 0.00 N ATOM 558 CA GLY A 35 19.372 7.808 3.404 1.00 0.00 C ATOM 559 C GLY A 35 19.504 9.126 2.652 1.00 0.00 C ATOM 560 O GLY A 35 20.033 10.101 3.212 1.00 0.00 O ATOM 0 H GLY A 35 17.534 6.867 2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 35 18.972 8.014 4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.368 7.387 3.543 1.00 0.00 H new ATOM 564 N ILE A 36 19.029 9.185 1.395 1.00 0.00 N ATOM 565 CA ILE A 36 19.230 10.378 0.551 1.00 0.00 C ATOM 566 C ILE A 36 18.159 11.446 0.889 1.00 0.00 C ATOM 567 O ILE A 36 16.958 11.191 0.720 1.00 0.00 O ATOM 568 CB ILE A 36 19.184 10.059 -0.999 1.00 0.00 C ATOM 569 CG1 ILE A 36 19.776 8.649 -1.351 1.00 0.00 C ATOM 570 CG2 ILE A 36 19.932 11.166 -1.778 1.00 0.00 C ATOM 571 CD1 ILE A 36 21.251 8.452 -1.045 1.00 0.00 C ATOM 0 H ILE A 36 18.510 8.431 0.945 1.00 0.00 H new ATOM 0 HA ILE A 36 20.230 10.753 0.771 1.00 0.00 H new ATOM 0 HB ILE A 36 18.135 10.037 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.208 7.893 -0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.618 8.465 -2.414 1.00 0.00 H new ATOM 0 HG21 ILE A 36 19.900 10.945 -2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 36 19.455 12.128 -1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 36 20.970 11.206 -1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 36 21.550 7.443 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 36 21.839 9.177 -1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.424 8.595 0.022 1.00 0.00 H new ATOM 583 N ALA A 37 18.616 12.628 1.362 1.00 0.00 N ATOM 584 CA ALA A 37 17.739 13.763 1.754 1.00 0.00 C ATOM 585 C ALA A 37 16.971 14.326 0.536 1.00 0.00 C ATOM 586 O ALA A 37 17.509 14.294 -0.567 1.00 0.00 O ATOM 587 CB ALA A 37 18.591 14.868 2.421 1.00 0.00 C ATOM 0 H ALA A 37 19.609 12.826 1.484 1.00 0.00 H new ATOM 0 HA ALA A 37 16.999 13.400 2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 37 17.948 15.700 2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.080 14.465 3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.346 15.219 1.718 1.00 0.00 H new ATOM 593 N PRO A 38 15.712 14.875 0.737 1.00 0.00 N ATOM 594 CA PRO A 38 14.819 15.359 -0.364 1.00 0.00 C ATOM 595 C PRO A 38 15.513 16.322 -1.354 1.00 0.00 C ATOM 596 O PRO A 38 15.330 16.208 -2.572 1.00 0.00 O ATOM 597 CB PRO A 38 13.658 16.074 0.398 1.00 0.00 C ATOM 598 CG PRO A 38 14.164 16.263 1.799 1.00 0.00 C ATOM 599 CD PRO A 38 15.051 15.077 2.058 1.00 0.00 C ATOM 0 HA PRO A 38 14.491 14.535 -0.997 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.413 17.030 -0.065 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.749 15.472 0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.717 17.197 1.896 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.342 16.304 2.513 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.775 15.276 2.848 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.479 14.201 2.364 1.00 0.00 H new ATOM 607 N GLY A 39 16.338 17.239 -0.812 1.00 0.00 N ATOM 608 CA GLY A 39 17.091 18.207 -1.621 1.00 0.00 C ATOM 609 C GLY A 39 18.430 17.662 -2.120 1.00 0.00 C ATOM 610 O GLY A 39 19.367 18.427 -2.343 1.00 0.00 O ATOM 0 H GLY A 39 16.498 17.326 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.485 18.505 -2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 39 17.269 19.105 -1.029 1.00 0.00 H new ATOM 614 N SER A 40 18.517 16.329 -2.287 1.00 0.00 N ATOM 615 CA SER A 40 19.715 15.624 -2.761 1.00 0.00 C ATOM 616 C SER A 40 19.282 14.400 -3.593 1.00 0.00 C ATOM 617 O SER A 40 20.097 13.537 -3.881 1.00 0.00 O ATOM 618 CB SER A 40 20.596 15.174 -1.555 1.00 0.00 C ATOM 619 OG SER A 40 20.978 16.263 -0.733 1.00 0.00 O ATOM 0 H SER A 40 17.737 15.702 -2.091 1.00 0.00 H new ATOM 0 HA SER A 40 20.308 16.296 -3.382 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.047 14.446 -0.958 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.489 14.672 -1.927 1.00 0.00 H new ATOM 0 HG SER A 40 21.527 15.935 0.010 1.00 0.00 H new ATOM 625 N GLN A 41 17.985 14.332 -3.970 1.00 0.00 N ATOM 626 CA GLN A 41 17.431 13.201 -4.741 1.00 0.00 C ATOM 627 C GLN A 41 16.191 13.640 -5.512 1.00 0.00 C ATOM 628 O GLN A 41 15.497 14.592 -5.124 1.00 0.00 O ATOM 629 CB GLN A 41 17.116 11.987 -3.815 1.00 0.00 C ATOM 630 CG GLN A 41 16.238 12.290 -2.568 1.00 0.00 C ATOM 631 CD GLN A 41 14.763 11.926 -2.695 1.00 0.00 C ATOM 632 OE1 GLN A 41 14.208 11.860 -3.792 1.00 0.00 O ATOM 633 NE2 GLN A 41 14.094 11.739 -1.561 1.00 0.00 N ATOM 0 H GLN A 41 17.300 15.054 -3.749 1.00 0.00 H new ATOM 0 HA GLN A 41 18.184 12.877 -5.459 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.616 11.222 -4.409 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.060 11.560 -3.475 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.654 11.754 -1.715 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.313 13.354 -2.343 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.580 11.800 -0.666 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.095 11.535 -1.586 1.00 0.00 H new ATOM 642 N ARG A 42 15.968 12.966 -6.647 1.00 0.00 N ATOM 643 CA ARG A 42 14.790 13.154 -7.511 1.00 0.00 C ATOM 644 C ARG A 42 14.127 11.785 -7.720 1.00 0.00 C ATOM 645 O ARG A 42 14.664 10.742 -7.302 1.00 0.00 O ATOM 646 CB ARG A 42 15.162 13.798 -8.898 1.00 0.00 C ATOM 647 CG ARG A 42 15.767 15.236 -8.851 1.00 0.00 C ATOM 648 CD ARG A 42 17.232 15.264 -8.379 1.00 0.00 C ATOM 649 NE ARG A 42 17.791 16.621 -8.278 1.00 0.00 N ATOM 650 CZ ARG A 42 17.750 17.410 -7.186 1.00 0.00 C ATOM 651 NH1 ARG A 42 17.045 17.064 -6.105 1.00 0.00 N ATOM 652 NH2 ARG A 42 18.406 18.559 -7.193 1.00 0.00 N ATOM 0 H ARG A 42 16.613 12.259 -7.000 1.00 0.00 H new ATOM 0 HA ARG A 42 14.104 13.846 -7.022 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.874 13.143 -9.400 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.264 13.824 -9.515 1.00 0.00 H new ATOM 0 HG2 ARG A 42 15.704 15.682 -9.843 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.166 15.854 -8.184 1.00 0.00 H new ATOM 0 HD2 ARG A 42 17.301 14.778 -7.406 1.00 0.00 H new ATOM 0 HD3 ARG A 42 17.839 14.680 -9.071 1.00 0.00 H new ATOM 0 HE ARG A 42 18.250 16.998 -9.107 1.00 0.00 H new ATOM 0 HH11 ARG A 42 16.524 16.187 -6.095 1.00 0.00 H new ATOM 0 HH12 ARG A 42 17.028 17.677 -5.290 1.00 0.00 H new ATOM 0 HH21 ARG A 42 18.935 18.839 -8.019 1.00 0.00 H new ATOM 0 HH22 ARG A 42 18.383 19.165 -6.373 1.00 0.00 H new ATOM 666 N ILE A 43 12.968 11.791 -8.393 1.00 0.00 N ATOM 667 CA ILE A 43 12.183 10.577 -8.663 1.00 0.00 C ATOM 668 C ILE A 43 12.331 10.228 -10.139 1.00 0.00 C ATOM 669 O ILE A 43 11.950 11.007 -11.014 1.00 0.00 O ATOM 670 CB ILE A 43 10.662 10.766 -8.280 1.00 0.00 C ATOM 671 CG1 ILE A 43 10.520 11.085 -6.765 1.00 0.00 C ATOM 672 CG2 ILE A 43 9.811 9.529 -8.652 1.00 0.00 C ATOM 673 CD1 ILE A 43 11.116 10.048 -5.836 1.00 0.00 C ATOM 0 H ILE A 43 12.546 12.641 -8.767 1.00 0.00 H new ATOM 0 HA ILE A 43 12.561 9.762 -8.046 1.00 0.00 H new ATOM 0 HB ILE A 43 10.283 11.608 -8.859 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.994 12.046 -6.565 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.462 11.197 -6.530 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.773 9.704 -8.371 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.871 9.356 -9.726 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.188 8.655 -8.122 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.968 10.358 -4.802 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.627 9.088 -6.001 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.183 9.950 -6.036 1.00 0.00 H new ATOM 685 N LEU A 44 12.966 9.087 -10.399 1.00 0.00 N ATOM 686 CA LEU A 44 13.143 8.534 -11.745 1.00 0.00 C ATOM 687 C LEU A 44 12.458 7.157 -11.779 1.00 0.00 C ATOM 688 O LEU A 44 12.099 6.622 -10.730 1.00 0.00 O ATOM 689 CB LEU A 44 14.663 8.436 -12.108 1.00 0.00 C ATOM 690 CG LEU A 44 15.531 9.757 -12.017 1.00 0.00 C ATOM 691 CD1 LEU A 44 14.858 10.952 -12.722 1.00 0.00 C ATOM 692 CD2 LEU A 44 15.938 10.108 -10.561 1.00 0.00 C ATOM 0 H LEU A 44 13.380 8.508 -9.668 1.00 0.00 H new ATOM 0 HA LEU A 44 12.688 9.186 -12.491 1.00 0.00 H new ATOM 0 HB2 LEU A 44 15.116 7.692 -11.453 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.740 8.054 -13.126 1.00 0.00 H new ATOM 0 HG LEU A 44 16.453 9.544 -12.558 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.493 11.833 -12.631 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.712 10.717 -13.776 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.892 11.151 -12.258 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.531 11.022 -10.559 1.00 0.00 H new ATOM 0 HD22 LEU A 44 15.042 10.256 -9.958 1.00 0.00 H new ATOM 0 HD23 LEU A 44 16.527 9.293 -10.141 1.00 0.00 H new ATOM 704 N VAL A 45 12.257 6.601 -12.976 1.00 0.00 N ATOM 705 CA VAL A 45 11.569 5.296 -13.167 1.00 0.00 C ATOM 706 C VAL A 45 12.415 4.366 -14.062 1.00 0.00 C ATOM 707 O VAL A 45 13.338 4.828 -14.740 1.00 0.00 O ATOM 708 CB VAL A 45 10.118 5.493 -13.766 1.00 0.00 C ATOM 709 CG1 VAL A 45 9.115 5.992 -12.693 1.00 0.00 C ATOM 710 CG2 VAL A 45 10.137 6.462 -14.974 1.00 0.00 C ATOM 0 H VAL A 45 12.562 7.033 -13.848 1.00 0.00 H new ATOM 0 HA VAL A 45 11.459 4.826 -12.190 1.00 0.00 H new ATOM 0 HB VAL A 45 9.782 4.515 -14.111 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.130 6.115 -13.144 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.055 5.264 -11.884 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.454 6.949 -12.295 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.126 6.577 -15.364 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.516 7.433 -14.656 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.783 6.059 -15.754 1.00 0.00 H new ATOM 720 N GLY A 46 12.118 3.046 -14.000 1.00 0.00 N ATOM 721 CA GLY A 46 12.847 2.018 -14.764 1.00 0.00 C ATOM 722 C GLY A 46 12.679 2.165 -16.275 1.00 0.00 C ATOM 723 O GLY A 46 13.645 2.026 -17.042 1.00 0.00 O ATOM 0 H GLY A 46 11.368 2.670 -13.420 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.907 2.072 -14.515 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.498 1.031 -14.460 1.00 0.00 H new ATOM 727 N TYR A 47 11.430 2.426 -16.690 1.00 0.00 N ATOM 728 CA TYR A 47 11.091 2.868 -18.063 1.00 0.00 C ATOM 729 C TYR A 47 11.545 4.347 -18.251 1.00 0.00 C ATOM 730 O TYR A 47 11.820 5.000 -17.246 1.00 0.00 O ATOM 731 CB TYR A 47 9.563 2.662 -18.332 1.00 0.00 C ATOM 732 CG TYR A 47 8.605 3.260 -17.282 1.00 0.00 C ATOM 733 CD1 TYR A 47 8.228 2.527 -16.151 1.00 0.00 C ATOM 734 CD2 TYR A 47 8.062 4.539 -17.435 1.00 0.00 C ATOM 735 CE1 TYR A 47 7.368 3.052 -15.207 1.00 0.00 C ATOM 736 CE2 TYR A 47 7.196 5.065 -16.489 1.00 0.00 C ATOM 737 CZ TYR A 47 6.848 4.314 -15.380 1.00 0.00 C ATOM 738 OH TYR A 47 5.994 4.837 -14.434 1.00 0.00 O ATOM 0 H TYR A 47 10.616 2.337 -16.082 1.00 0.00 H new ATOM 0 HA TYR A 47 11.621 2.265 -18.800 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.323 3.096 -19.303 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.368 1.592 -18.405 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.618 1.529 -16.014 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.321 5.126 -18.304 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.104 2.473 -14.334 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.794 6.059 -16.617 1.00 0.00 H new ATOM 0 HH TYR A 47 6.216 4.468 -13.554 1.00 0.00 H new ATOM 748 N PRO A 48 11.667 4.898 -19.518 1.00 0.00 N ATOM 749 CA PRO A 48 12.224 6.262 -19.759 1.00 0.00 C ATOM 750 C PRO A 48 11.539 7.389 -18.917 1.00 0.00 C ATOM 751 O PRO A 48 10.338 7.634 -19.070 1.00 0.00 O ATOM 752 CB PRO A 48 12.024 6.480 -21.295 1.00 0.00 C ATOM 753 CG PRO A 48 11.030 5.437 -21.707 1.00 0.00 C ATOM 754 CD PRO A 48 11.301 4.255 -20.808 1.00 0.00 C ATOM 0 HA PRO A 48 13.266 6.322 -19.445 1.00 0.00 H new ATOM 0 HB2 PRO A 48 11.654 7.483 -21.507 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.963 6.366 -21.836 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.008 5.797 -21.587 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.152 5.170 -22.757 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.425 3.615 -20.706 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.108 3.631 -21.192 1.00 0.00 H new ATOM 762 N PRO A 49 12.297 8.046 -17.966 1.00 0.00 N ATOM 763 CA PRO A 49 11.841 9.251 -17.261 1.00 0.00 C ATOM 764 C PRO A 49 12.222 10.526 -18.045 1.00 0.00 C ATOM 765 O PRO A 49 12.852 10.460 -19.114 1.00 0.00 O ATOM 766 CB PRO A 49 12.580 9.171 -15.884 1.00 0.00 C ATOM 767 CG PRO A 49 13.616 8.069 -16.023 1.00 0.00 C ATOM 768 CD PRO A 49 13.647 7.669 -17.488 1.00 0.00 C ATOM 0 HA PRO A 49 10.758 9.299 -17.148 1.00 0.00 H new ATOM 0 HB2 PRO A 49 13.054 10.122 -15.640 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.880 8.948 -15.079 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.596 8.418 -15.698 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.358 7.216 -15.396 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.430 8.196 -18.034 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.835 6.602 -17.611 1.00 0.00 H new ATOM 776 N GLU A 50 11.829 11.684 -17.505 1.00 0.00 N ATOM 777 CA GLU A 50 12.108 13.008 -18.104 1.00 0.00 C ATOM 778 C GLU A 50 12.778 13.919 -17.056 1.00 0.00 C ATOM 779 O GLU A 50 12.841 15.144 -17.241 1.00 0.00 O ATOM 780 CB GLU A 50 10.768 13.621 -18.614 1.00 0.00 C ATOM 781 CG GLU A 50 10.017 12.744 -19.641 1.00 0.00 C ATOM 782 CD GLU A 50 8.658 13.330 -20.055 1.00 0.00 C ATOM 783 OE1 GLU A 50 7.650 13.059 -19.365 1.00 0.00 O ATOM 784 OE2 GLU A 50 8.596 14.079 -21.049 1.00 0.00 O ATOM 0 H GLU A 50 11.303 11.737 -16.632 1.00 0.00 H new ATOM 0 HA GLU A 50 12.791 12.909 -18.948 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.115 13.799 -17.760 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.975 14.592 -19.065 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.638 12.621 -20.528 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.864 11.751 -19.219 1.00 0.00 H new ATOM 791 N CYS A 51 13.356 13.275 -16.007 1.00 0.00 N ATOM 792 CA CYS A 51 13.755 13.924 -14.741 1.00 0.00 C ATOM 793 C CYS A 51 12.536 14.612 -14.108 1.00 0.00 C ATOM 794 O CYS A 51 12.317 15.813 -14.314 1.00 0.00 O ATOM 795 CB CYS A 51 14.945 14.901 -14.927 1.00 0.00 C ATOM 796 SG CYS A 51 16.473 14.119 -15.501 1.00 0.00 S ATOM 0 H CYS A 51 13.558 12.275 -16.023 1.00 0.00 H new ATOM 0 HA CYS A 51 14.113 13.153 -14.059 1.00 0.00 H new ATOM 0 HB2 CYS A 51 14.657 15.674 -15.640 1.00 0.00 H new ATOM 0 HB3 CYS A 51 15.141 15.400 -13.978 1.00 0.00 H new ATOM 0 HG CYS A 51 17.401 15.020 -15.626 1.00 0.00 H new ATOM 802 N LEU A 52 11.715 13.809 -13.385 1.00 0.00 N ATOM 803 CA LEU A 52 10.439 14.265 -12.791 1.00 0.00 C ATOM 804 C LEU A 52 10.641 15.523 -11.928 1.00 0.00 C ATOM 805 O LEU A 52 11.569 15.595 -11.112 1.00 0.00 O ATOM 806 CB LEU A 52 9.772 13.114 -11.990 1.00 0.00 C ATOM 807 CG LEU A 52 9.322 11.878 -12.843 1.00 0.00 C ATOM 808 CD1 LEU A 52 8.851 10.719 -11.942 1.00 0.00 C ATOM 809 CD2 LEU A 52 8.230 12.264 -13.875 1.00 0.00 C ATOM 0 H LEU A 52 11.922 12.828 -13.199 1.00 0.00 H new ATOM 0 HA LEU A 52 9.763 14.543 -13.600 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.471 12.773 -11.226 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.901 13.513 -11.470 1.00 0.00 H new ATOM 0 HG LEU A 52 10.193 11.534 -13.401 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.545 9.877 -12.563 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.667 10.411 -11.289 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.007 11.049 -11.337 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.943 11.382 -14.448 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.358 12.657 -13.352 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.621 13.024 -14.551 1.00 0.00 H new ATOM 821 N ASP A 53 9.784 16.522 -12.172 1.00 0.00 N ATOM 822 CA ASP A 53 9.867 17.839 -11.546 1.00 0.00 C ATOM 823 C ASP A 53 9.206 17.798 -10.155 1.00 0.00 C ATOM 824 O ASP A 53 7.977 17.686 -10.042 1.00 0.00 O ATOM 825 CB ASP A 53 9.187 18.897 -12.462 1.00 0.00 C ATOM 826 CG ASP A 53 9.221 20.316 -11.870 1.00 0.00 C ATOM 827 OD1 ASP A 53 10.274 20.978 -11.957 1.00 0.00 O ATOM 828 OD2 ASP A 53 8.199 20.771 -11.306 1.00 0.00 O ATOM 0 H ASP A 53 9.002 16.432 -12.821 1.00 0.00 H new ATOM 0 HA ASP A 53 10.912 18.120 -11.416 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.684 18.902 -13.432 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.151 18.607 -12.636 1.00 0.00 H new ATOM 833 N LEU A 54 10.043 17.818 -9.109 1.00 0.00 N ATOM 834 CA LEU A 54 9.601 17.883 -7.709 1.00 0.00 C ATOM 835 C LEU A 54 9.851 19.303 -7.167 1.00 0.00 C ATOM 836 O LEU A 54 10.880 19.569 -6.530 1.00 0.00 O ATOM 837 CB LEU A 54 10.329 16.804 -6.848 1.00 0.00 C ATOM 838 CG LEU A 54 9.889 15.305 -7.053 1.00 0.00 C ATOM 839 CD1 LEU A 54 10.436 14.685 -8.354 1.00 0.00 C ATOM 840 CD2 LEU A 54 10.277 14.461 -5.831 1.00 0.00 C ATOM 0 H LEU A 54 11.057 17.789 -9.212 1.00 0.00 H new ATOM 0 HA LEU A 54 8.534 17.669 -7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 54 11.398 16.874 -7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.187 17.057 -5.797 1.00 0.00 H new ATOM 0 HG LEU A 54 8.804 15.306 -7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.097 13.652 -8.435 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.073 15.255 -9.209 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.526 14.709 -8.338 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.966 13.428 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.357 14.497 -5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.783 14.857 -4.944 1.00 0.00 H new ATOM 852 N SER A 55 8.936 20.232 -7.493 1.00 0.00 N ATOM 853 CA SER A 55 8.980 21.631 -7.018 1.00 0.00 C ATOM 854 C SER A 55 7.963 21.859 -5.873 1.00 0.00 C ATOM 855 O SER A 55 8.227 22.626 -4.947 1.00 0.00 O ATOM 856 CB SER A 55 8.704 22.600 -8.194 1.00 0.00 C ATOM 857 OG SER A 55 7.455 22.333 -8.804 1.00 0.00 O ATOM 0 H SER A 55 8.139 20.035 -8.098 1.00 0.00 H new ATOM 0 HA SER A 55 9.977 21.831 -6.625 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.721 23.628 -7.831 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.498 22.510 -8.935 1.00 0.00 H new ATOM 0 HG SER A 55 7.594 21.799 -9.614 1.00 0.00 H new ATOM 863 N ASP A 56 6.807 21.166 -5.943 1.00 0.00 N ATOM 864 CA ASP A 56 5.712 21.291 -4.941 1.00 0.00 C ATOM 865 C ASP A 56 6.018 20.389 -3.701 1.00 0.00 C ATOM 866 O ASP A 56 7.108 19.823 -3.617 1.00 0.00 O ATOM 867 CB ASP A 56 4.364 20.926 -5.634 1.00 0.00 C ATOM 868 CG ASP A 56 3.112 21.424 -4.887 1.00 0.00 C ATOM 869 OD1 ASP A 56 2.747 22.609 -5.039 1.00 0.00 O ATOM 870 OD2 ASP A 56 2.493 20.645 -4.138 1.00 0.00 O ATOM 0 H ASP A 56 6.601 20.504 -6.691 1.00 0.00 H new ATOM 0 HA ASP A 56 5.636 22.313 -4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.362 21.343 -6.641 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.304 19.843 -5.738 1.00 0.00 H new ATOM 875 N ARG A 57 5.088 20.297 -2.717 1.00 0.00 N ATOM 876 CA ARG A 57 5.252 19.444 -1.500 1.00 0.00 C ATOM 877 C ARG A 57 3.977 18.597 -1.245 1.00 0.00 C ATOM 878 O ARG A 57 4.054 17.483 -0.709 1.00 0.00 O ATOM 879 CB ARG A 57 5.589 20.325 -0.250 1.00 0.00 C ATOM 880 CG ARG A 57 4.421 21.239 0.263 1.00 0.00 C ATOM 881 CD ARG A 57 4.744 22.750 0.259 1.00 0.00 C ATOM 882 NE ARG A 57 5.122 23.257 -1.073 1.00 0.00 N ATOM 883 CZ ARG A 57 4.285 23.527 -2.083 1.00 0.00 C ATOM 884 NH1 ARG A 57 2.986 23.297 -1.992 1.00 0.00 N ATOM 885 NH2 ARG A 57 4.764 24.008 -3.209 1.00 0.00 N ATOM 0 H ARG A 57 4.205 20.807 -2.739 1.00 0.00 H new ATOM 0 HA ARG A 57 6.084 18.762 -1.673 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.898 19.669 0.563 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.443 20.957 -0.492 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.542 21.066 -0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.160 20.938 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.876 23.302 0.618 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.557 22.944 0.959 1.00 0.00 H new ATOM 0 HE ARG A 57 6.115 23.417 -1.241 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.597 22.903 -1.135 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.373 23.513 -2.778 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.766 24.173 -3.308 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.134 24.217 -3.983 1.00 0.00 H new ATOM 899 N ASP A 58 2.809 19.146 -1.630 1.00 0.00 N ATOM 900 CA ASP A 58 1.501 18.479 -1.489 1.00 0.00 C ATOM 901 C ASP A 58 1.266 17.485 -2.636 1.00 0.00 C ATOM 902 O ASP A 58 0.402 16.608 -2.524 1.00 0.00 O ATOM 903 CB ASP A 58 0.368 19.534 -1.480 1.00 0.00 C ATOM 904 CG ASP A 58 0.498 20.542 -0.332 1.00 0.00 C ATOM 905 OD1 ASP A 58 -0.020 20.276 0.766 1.00 0.00 O ATOM 906 OD2 ASP A 58 1.127 21.606 -0.523 1.00 0.00 O ATOM 0 H ASP A 58 2.747 20.073 -2.051 1.00 0.00 H new ATOM 0 HA ASP A 58 1.499 17.931 -0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.371 20.070 -2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.593 19.026 -1.403 1.00 0.00 H new ATOM 911 N ILE A 59 2.020 17.668 -3.740 1.00 0.00 N ATOM 912 CA ILE A 59 1.940 16.827 -4.943 1.00 0.00 C ATOM 913 C ILE A 59 2.123 15.321 -4.588 1.00 0.00 C ATOM 914 O ILE A 59 3.105 14.925 -3.951 1.00 0.00 O ATOM 915 CB ILE A 59 2.983 17.326 -6.025 1.00 0.00 C ATOM 916 CG1 ILE A 59 2.800 16.569 -7.371 1.00 0.00 C ATOM 917 CG2 ILE A 59 4.435 17.221 -5.515 1.00 0.00 C ATOM 918 CD1 ILE A 59 3.716 17.006 -8.510 1.00 0.00 C ATOM 0 H ILE A 59 2.710 18.416 -3.817 1.00 0.00 H new ATOM 0 HA ILE A 59 0.945 16.922 -5.378 1.00 0.00 H new ATOM 0 HB ILE A 59 2.783 18.382 -6.205 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.957 15.505 -7.192 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.766 16.688 -7.695 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.118 17.573 -6.288 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.552 17.833 -4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.662 16.182 -5.276 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.501 16.412 -9.398 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.547 18.060 -8.729 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.756 16.859 -8.218 1.00 0.00 H new ATOM 930 N THR A 60 1.132 14.501 -4.963 1.00 0.00 N ATOM 931 CA THR A 60 0.997 13.119 -4.460 1.00 0.00 C ATOM 932 C THR A 60 1.603 12.072 -5.421 1.00 0.00 C ATOM 933 O THR A 60 2.120 12.413 -6.492 1.00 0.00 O ATOM 934 CB THR A 60 -0.513 12.789 -4.210 1.00 0.00 C ATOM 935 OG1 THR A 60 -1.262 12.989 -5.421 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.117 13.644 -3.074 1.00 0.00 C ATOM 0 H THR A 60 0.401 14.772 -5.621 1.00 0.00 H new ATOM 0 HA THR A 60 1.556 13.064 -3.526 1.00 0.00 H new ATOM 0 HB THR A 60 -0.574 11.745 -3.902 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.206 12.780 -5.260 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.166 13.379 -2.938 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.572 13.457 -2.149 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.040 14.700 -3.333 1.00 0.00 H new ATOM 944 N LEU A 61 1.496 10.781 -5.017 1.00 0.00 N ATOM 945 CA LEU A 61 1.915 9.617 -5.841 1.00 0.00 C ATOM 946 C LEU A 61 0.998 9.422 -7.068 1.00 0.00 C ATOM 947 O LEU A 61 1.326 8.657 -7.971 1.00 0.00 O ATOM 948 CB LEU A 61 1.911 8.309 -5.004 1.00 0.00 C ATOM 949 CG LEU A 61 2.725 8.320 -3.676 1.00 0.00 C ATOM 950 CD1 LEU A 61 2.675 6.934 -2.992 1.00 0.00 C ATOM 951 CD2 LEU A 61 4.177 8.806 -3.890 1.00 0.00 C ATOM 0 H LEU A 61 1.116 10.517 -4.108 1.00 0.00 H new ATOM 0 HA LEU A 61 2.927 9.831 -6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.876 8.062 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.295 7.504 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 61 2.255 9.040 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.250 6.964 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.640 6.676 -2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.100 6.184 -3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.708 8.798 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.682 8.144 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.166 9.820 -4.290 1.00 0.00 H new ATOM 963 N GLY A 62 -0.182 10.079 -7.048 1.00 0.00 N ATOM 964 CA GLY A 62 -1.074 10.130 -8.215 1.00 0.00 C ATOM 965 C GLY A 62 -0.499 10.982 -9.353 1.00 0.00 C ATOM 966 O GLY A 62 -0.937 10.871 -10.500 1.00 0.00 O ATOM 0 H GLY A 62 -0.535 10.580 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.252 9.118 -8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.040 10.535 -7.913 1.00 0.00 H new ATOM 970 N ASP A 63 0.492 11.834 -9.024 1.00 0.00 N ATOM 971 CA ASP A 63 1.190 12.697 -9.993 1.00 0.00 C ATOM 972 C ASP A 63 2.549 12.070 -10.359 1.00 0.00 C ATOM 973 O ASP A 63 2.772 11.720 -11.523 1.00 0.00 O ATOM 974 CB ASP A 63 1.385 14.110 -9.407 1.00 0.00 C ATOM 975 CG ASP A 63 0.066 14.770 -8.971 1.00 0.00 C ATOM 976 OD1 ASP A 63 -0.624 15.353 -9.827 1.00 0.00 O ATOM 977 OD2 ASP A 63 -0.293 14.701 -7.768 1.00 0.00 O ATOM 0 H ASP A 63 0.832 11.942 -8.069 1.00 0.00 H new ATOM 0 HA ASP A 63 0.586 12.783 -10.896 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.056 14.052 -8.550 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.872 14.741 -10.151 1.00 0.00 H new ATOM 982 N LEU A 64 3.454 11.935 -9.355 1.00 0.00 N ATOM 983 CA LEU A 64 4.758 11.246 -9.536 1.00 0.00 C ATOM 984 C LEU A 64 4.480 9.735 -9.709 1.00 0.00 C ATOM 985 O LEU A 64 3.906 9.154 -8.795 1.00 0.00 O ATOM 986 CB LEU A 64 5.735 11.455 -8.325 1.00 0.00 C ATOM 987 CG LEU A 64 6.204 12.915 -7.999 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.670 13.672 -9.266 1.00 0.00 C ATOM 989 CD2 LEU A 64 5.134 13.696 -7.206 1.00 0.00 C ATOM 0 H LEU A 64 3.304 12.294 -8.412 1.00 0.00 H new ATOM 0 HA LEU A 64 5.246 11.673 -10.412 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.253 11.053 -7.434 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.624 10.851 -8.506 1.00 0.00 H new ATOM 0 HG LEU A 64 7.077 12.835 -7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.986 14.679 -8.993 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.506 13.140 -9.721 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.847 13.731 -9.978 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.497 14.703 -7.000 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.217 13.754 -7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.932 13.183 -6.266 1.00 0.00 H new ATOM 1001 N PRO A 65 4.809 9.104 -10.897 1.00 0.00 N ATOM 1002 CA PRO A 65 4.601 7.643 -11.155 1.00 0.00 C ATOM 1003 C PRO A 65 5.271 6.690 -10.124 1.00 0.00 C ATOM 1004 O PRO A 65 6.349 6.137 -10.367 1.00 0.00 O ATOM 1005 CB PRO A 65 5.184 7.443 -12.586 1.00 0.00 C ATOM 1006 CG PRO A 65 5.064 8.789 -13.225 1.00 0.00 C ATOM 1007 CD PRO A 65 5.346 9.777 -12.112 1.00 0.00 C ATOM 0 HA PRO A 65 3.547 7.381 -11.062 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.222 7.111 -12.550 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.627 6.688 -13.141 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.775 8.902 -14.043 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.069 8.940 -13.644 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.413 9.981 -12.018 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.853 10.733 -12.291 1.00 0.00 H new ATOM 1015 N ILE A 66 4.617 6.546 -8.959 1.00 0.00 N ATOM 1016 CA ILE A 66 4.896 5.507 -7.960 1.00 0.00 C ATOM 1017 C ILE A 66 3.687 4.565 -7.996 1.00 0.00 C ATOM 1018 O ILE A 66 2.547 5.020 -7.840 1.00 0.00 O ATOM 1019 CB ILE A 66 5.085 6.073 -6.476 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.447 6.841 -6.267 1.00 0.00 C ATOM 1021 CG2 ILE A 66 4.956 4.944 -5.410 1.00 0.00 C ATOM 1022 CD1 ILE A 66 6.604 8.147 -7.020 1.00 0.00 C ATOM 0 H ILE A 66 3.858 7.168 -8.681 1.00 0.00 H new ATOM 0 HA ILE A 66 5.838 5.017 -8.205 1.00 0.00 H new ATOM 0 HB ILE A 66 4.278 6.793 -6.341 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.566 7.043 -5.203 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.262 6.178 -6.558 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.090 5.367 -4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.968 4.488 -5.481 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.719 4.186 -5.588 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.579 8.581 -6.797 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.527 7.961 -8.091 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.820 8.840 -6.714 1.00 0.00 H new ATOM 1034 N GLN A 67 3.929 3.280 -8.275 1.00 0.00 N ATOM 1035 CA GLN A 67 2.896 2.231 -8.215 1.00 0.00 C ATOM 1036 C GLN A 67 3.298 1.169 -7.184 1.00 0.00 C ATOM 1037 O GLN A 67 4.452 1.133 -6.732 1.00 0.00 O ATOM 1038 CB GLN A 67 2.674 1.598 -9.618 1.00 0.00 C ATOM 1039 CG GLN A 67 2.276 2.611 -10.715 1.00 0.00 C ATOM 1040 CD GLN A 67 1.759 1.941 -11.990 1.00 0.00 C ATOM 1041 OE1 GLN A 67 2.524 1.639 -12.903 1.00 0.00 O ATOM 1042 NE2 GLN A 67 0.455 1.696 -12.051 1.00 0.00 N ATOM 0 H GLN A 67 4.848 2.933 -8.550 1.00 0.00 H new ATOM 0 HA GLN A 67 1.952 2.677 -7.903 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.588 1.090 -9.923 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.897 0.838 -9.542 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.507 3.278 -10.324 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.139 3.230 -10.961 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.151 1.961 -11.274 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.059 1.243 -12.875 1.00 0.00 H new ATOM 1051 N SER A 68 2.330 0.315 -6.817 1.00 0.00 N ATOM 1052 CA SER A 68 2.524 -0.773 -5.855 1.00 0.00 C ATOM 1053 C SER A 68 3.547 -1.810 -6.390 1.00 0.00 C ATOM 1054 O SER A 68 3.193 -2.687 -7.186 1.00 0.00 O ATOM 1055 CB SER A 68 1.158 -1.432 -5.568 1.00 0.00 C ATOM 1056 OG SER A 68 0.213 -0.463 -5.141 1.00 0.00 O ATOM 0 H SER A 68 1.380 0.364 -7.186 1.00 0.00 H new ATOM 0 HA SER A 68 2.932 -0.372 -4.927 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.794 -1.931 -6.466 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.272 -2.198 -4.801 1.00 0.00 H new ATOM 0 HG SER A 68 0.561 0.010 -4.356 1.00 0.00 H new ATOM 1062 N GLY A 69 4.820 -1.658 -5.974 1.00 0.00 N ATOM 1063 CA GLY A 69 5.913 -2.533 -6.431 1.00 0.00 C ATOM 1064 C GLY A 69 6.561 -2.066 -7.731 1.00 0.00 C ATOM 1065 O GLY A 69 7.063 -2.890 -8.508 1.00 0.00 O ATOM 0 H GLY A 69 5.115 -0.934 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.675 -2.587 -5.653 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.526 -3.543 -6.569 1.00 0.00 H new ATOM 1069 N ASP A 70 6.550 -0.740 -7.970 1.00 0.00 N ATOM 1070 CA ASP A 70 7.185 -0.125 -9.162 1.00 0.00 C ATOM 1071 C ASP A 70 8.668 0.185 -8.866 1.00 0.00 C ATOM 1072 O ASP A 70 9.083 0.255 -7.690 1.00 0.00 O ATOM 1073 CB ASP A 70 6.410 1.160 -9.573 1.00 0.00 C ATOM 1074 CG ASP A 70 6.787 1.720 -10.961 1.00 0.00 C ATOM 1075 OD1 ASP A 70 6.457 1.065 -11.980 1.00 0.00 O ATOM 1076 OD2 ASP A 70 7.428 2.789 -11.047 1.00 0.00 O ATOM 0 H ASP A 70 6.105 -0.065 -7.349 1.00 0.00 H new ATOM 0 HA ASP A 70 7.145 -0.825 -9.997 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.342 0.944 -9.561 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.588 1.931 -8.824 1.00 0.00 H new ATOM 1081 N MET A 71 9.461 0.356 -9.939 1.00 0.00 N ATOM 1082 CA MET A 71 10.910 0.592 -9.847 1.00 0.00 C ATOM 1083 C MET A 71 11.211 2.098 -9.934 1.00 0.00 C ATOM 1084 O MET A 71 11.202 2.691 -11.020 1.00 0.00 O ATOM 1085 CB MET A 71 11.666 -0.180 -10.961 1.00 0.00 C ATOM 1086 CG MET A 71 13.213 -0.091 -10.913 1.00 0.00 C ATOM 1087 SD MET A 71 13.974 -1.082 -9.598 1.00 0.00 S ATOM 1088 CE MET A 71 13.876 -0.008 -8.164 1.00 0.00 C ATOM 0 H MET A 71 9.112 0.334 -10.897 1.00 0.00 H new ATOM 0 HA MET A 71 11.258 0.222 -8.883 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.380 -1.230 -10.907 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.329 0.193 -11.928 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.614 -0.413 -11.874 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.502 0.952 -10.780 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.823 -0.034 -7.624 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.671 1.013 -8.487 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.075 -0.349 -7.508 1.00 0.00 H new ATOM 1098 N LEU A 72 11.459 2.703 -8.772 1.00 0.00 N ATOM 1099 CA LEU A 72 11.751 4.142 -8.646 1.00 0.00 C ATOM 1100 C LEU A 72 13.245 4.337 -8.388 1.00 0.00 C ATOM 1101 O LEU A 72 13.747 3.947 -7.348 1.00 0.00 O ATOM 1102 CB LEU A 72 10.897 4.797 -7.510 1.00 0.00 C ATOM 1103 CG LEU A 72 9.398 5.106 -7.849 1.00 0.00 C ATOM 1104 CD1 LEU A 72 9.291 6.038 -9.066 1.00 0.00 C ATOM 1105 CD2 LEU A 72 8.565 3.834 -8.067 1.00 0.00 C ATOM 0 H LEU A 72 11.464 2.208 -7.880 1.00 0.00 H new ATOM 0 HA LEU A 72 11.482 4.638 -9.579 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.921 4.138 -6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.379 5.729 -7.216 1.00 0.00 H new ATOM 0 HG LEU A 72 8.981 5.613 -6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.241 6.237 -9.281 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.802 6.977 -8.851 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.754 5.562 -9.930 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.536 4.108 -8.298 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.983 3.263 -8.896 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.584 3.227 -7.162 1.00 0.00 H new ATOM 1117 N ILE A 73 13.961 4.929 -9.349 1.00 0.00 N ATOM 1118 CA ILE A 73 15.397 5.206 -9.222 1.00 0.00 C ATOM 1119 C ILE A 73 15.564 6.506 -8.416 1.00 0.00 C ATOM 1120 O ILE A 73 15.106 7.574 -8.839 1.00 0.00 O ATOM 1121 CB ILE A 73 16.134 5.307 -10.628 1.00 0.00 C ATOM 1122 CG1 ILE A 73 16.202 3.915 -11.367 1.00 0.00 C ATOM 1123 CG2 ILE A 73 17.570 5.901 -10.479 1.00 0.00 C ATOM 1124 CD1 ILE A 73 14.873 3.299 -11.765 1.00 0.00 C ATOM 0 H ILE A 73 13.562 5.230 -10.238 1.00 0.00 H new ATOM 0 HA ILE A 73 15.868 4.371 -8.704 1.00 0.00 H new ATOM 0 HB ILE A 73 15.536 5.983 -11.239 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.807 4.034 -12.266 1.00 0.00 H new ATOM 0 HG13 ILE A 73 16.726 3.210 -10.721 1.00 0.00 H new ATOM 0 HG21 ILE A 73 18.045 5.956 -11.459 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.507 6.901 -10.050 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.162 5.262 -9.824 1.00 0.00 H new ATOM 0 HD11 ILE A 73 15.049 2.346 -12.264 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.266 3.136 -10.874 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.348 3.972 -12.443 1.00 0.00 H new ATOM 1136 N VAL A 74 16.152 6.376 -7.224 1.00 0.00 N ATOM 1137 CA VAL A 74 16.548 7.504 -6.377 1.00 0.00 C ATOM 1138 C VAL A 74 18.042 7.776 -6.597 1.00 0.00 C ATOM 1139 O VAL A 74 18.885 6.921 -6.307 1.00 0.00 O ATOM 1140 CB VAL A 74 16.260 7.204 -4.855 1.00 0.00 C ATOM 1141 CG1 VAL A 74 16.839 8.304 -3.928 1.00 0.00 C ATOM 1142 CG2 VAL A 74 14.739 7.016 -4.609 1.00 0.00 C ATOM 0 H VAL A 74 16.370 5.468 -6.813 1.00 0.00 H new ATOM 0 HA VAL A 74 15.963 8.383 -6.650 1.00 0.00 H new ATOM 0 HB VAL A 74 16.768 6.272 -4.606 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.618 8.058 -2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 74 17.919 8.364 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.388 9.264 -4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.564 6.810 -3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.209 7.925 -4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.374 6.181 -5.207 1.00 0.00 H new ATOM 1152 N GLU A 75 18.363 8.955 -7.134 1.00 0.00 N ATOM 1153 CA GLU A 75 19.759 9.380 -7.319 1.00 0.00 C ATOM 1154 C GLU A 75 20.297 10.044 -6.043 1.00 0.00 C ATOM 1155 O GLU A 75 19.590 10.155 -5.033 1.00 0.00 O ATOM 1156 CB GLU A 75 19.868 10.359 -8.512 1.00 0.00 C ATOM 1157 CG GLU A 75 19.143 11.712 -8.315 1.00 0.00 C ATOM 1158 CD GLU A 75 19.402 12.676 -9.476 1.00 0.00 C ATOM 1159 OE1 GLU A 75 18.706 12.572 -10.512 1.00 0.00 O ATOM 1160 OE2 GLU A 75 20.313 13.525 -9.363 1.00 0.00 O ATOM 0 H GLU A 75 17.674 9.638 -7.451 1.00 0.00 H new ATOM 0 HA GLU A 75 20.361 8.496 -7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.922 10.554 -8.708 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.464 9.873 -9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 75 18.071 11.538 -8.220 1.00 0.00 H new ATOM 0 HG3 GLU A 75 19.476 12.169 -7.383 1.00 0.00 H new ATOM 1167 N GLU A 76 21.564 10.469 -6.098 1.00 0.00 N ATOM 1168 CA GLU A 76 22.159 11.319 -5.075 1.00 0.00 C ATOM 1169 C GLU A 76 22.879 12.482 -5.769 1.00 0.00 C ATOM 1170 O GLU A 76 23.914 12.293 -6.419 1.00 0.00 O ATOM 1171 CB GLU A 76 23.121 10.513 -4.175 1.00 0.00 C ATOM 1172 CG GLU A 76 23.695 11.322 -2.997 1.00 0.00 C ATOM 1173 CD GLU A 76 24.646 10.508 -2.118 1.00 0.00 C ATOM 1174 OE1 GLU A 76 25.795 10.266 -2.547 1.00 0.00 O ATOM 1175 OE2 GLU A 76 24.258 10.105 -1.006 1.00 0.00 O ATOM 0 H GLU A 76 22.202 10.230 -6.857 1.00 0.00 H new ATOM 0 HA GLU A 76 21.380 11.714 -4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.594 9.643 -3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.945 10.140 -4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.224 12.193 -3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 76 22.873 11.695 -2.385 1.00 0.00 H new ATOM 1182 N ASP A 77 22.265 13.667 -5.674 1.00 0.00 N ATOM 1183 CA ASP A 77 22.833 14.944 -6.131 1.00 0.00 C ATOM 1184 C ASP A 77 24.054 15.351 -5.260 1.00 0.00 C ATOM 1185 O ASP A 77 24.812 16.240 -5.647 1.00 0.00 O ATOM 1186 CB ASP A 77 21.713 16.032 -6.095 1.00 0.00 C ATOM 1187 CG ASP A 77 22.050 17.302 -6.903 1.00 0.00 C ATOM 1188 OD1 ASP A 77 21.758 17.333 -8.118 1.00 0.00 O ATOM 1189 OD2 ASP A 77 22.609 18.270 -6.339 1.00 0.00 O ATOM 0 H ASP A 77 21.335 13.769 -5.267 1.00 0.00 H new ATOM 0 HA ASP A 77 23.196 14.841 -7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 77 20.789 15.602 -6.482 1.00 0.00 H new ATOM 0 HB3 ASP A 77 21.525 16.312 -5.058 1.00 0.00 H new