USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 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 18 TYR OH : rot -17:sc= -0.249 USER MOD Set 1.2: A 75 GLN : amide:sc=-0.00821 X(o=-0.26,f=-0.39) USER MOD Single : A 1 SER N :NH3+ 155:sc= -0.0116 (180deg=-0.277) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -169:sc= -0.0106 (180deg=-0.202) USER MOD Single : A 8 GLN : amide:sc= -0.714 K(o=-0.71,f=0) USER MOD Single : A 11 TYR OH : rot 0:sc= -0.443 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -4.93! K(o=-4.9!,f=-0.51) USER MOD Single : A 26 THR OG1 : rot 115:sc= -0.973 USER MOD Single : A 38 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.3) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.1) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.717 K(o=-0.72,f=-1.8) USER MOD Single : A 51 SER OG : rot 75:sc= 0.221 USER MOD Single : A 52 THR OG1 : rot 57:sc= 0.0426 USER MOD Single : A 58 GLN : amide:sc= -0.082 K(o=-0.082,f=-3.5!) USER MOD Single : A 70 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.75) USER MOD Single : A 76 THR OG1 : rot -64:sc= 0.482 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -18.547 18.316 12.708 1.00 0.00 N ATOM 2 CA SER A 1 -19.646 17.717 11.909 1.00 0.00 C ATOM 3 C SER A 1 -19.091 16.883 10.754 1.00 0.00 C ATOM 4 O SER A 1 -19.162 17.292 9.594 1.00 0.00 O ATOM 5 CB SER A 1 -20.561 18.818 11.364 1.00 0.00 C ATOM 6 OG SER A 1 -21.138 19.569 12.417 1.00 0.00 O ATOM 0 H1 SER A 1 -18.892 19.172 13.186 1.00 0.00 H new ATOM 0 H2 SER A 1 -18.221 17.630 13.419 1.00 0.00 H new ATOM 0 H3 SER A 1 -17.757 18.565 12.079 1.00 0.00 H new ATOM 0 HA SER A 1 -20.222 17.061 12.561 1.00 0.00 H new ATOM 0 HB2 SER A 1 -19.991 19.479 10.712 1.00 0.00 H new ATOM 0 HB3 SER A 1 -21.349 18.373 10.757 1.00 0.00 H new ATOM 0 HG SER A 1 -21.716 20.266 12.043 1.00 0.00 H new ATOM 11 N PRO A 2 -18.525 15.699 11.058 1.00 0.00 N ATOM 12 CA PRO A 2 -17.958 14.808 10.041 1.00 0.00 C ATOM 13 C PRO A 2 -18.981 14.420 8.979 1.00 0.00 C ATOM 14 O PRO A 2 -19.924 13.677 9.253 1.00 0.00 O ATOM 15 CB PRO A 2 -17.515 13.571 10.836 1.00 0.00 C ATOM 16 CG PRO A 2 -18.220 13.671 12.146 1.00 0.00 C ATOM 17 CD PRO A 2 -18.390 15.137 12.411 1.00 0.00 C ATOM 0 HA PRO A 2 -17.144 15.287 9.496 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -17.783 12.652 10.315 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -16.434 13.557 10.972 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -19.185 13.166 12.109 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -17.642 13.195 12.938 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -19.270 15.338 13.022 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -17.533 15.555 12.939 1.00 0.00 H new ATOM 25 N ALA A 3 -18.785 14.928 7.766 1.00 0.00 N ATOM 26 CA ALA A 3 -19.693 14.641 6.660 1.00 0.00 C ATOM 27 C ALA A 3 -19.108 13.594 5.721 1.00 0.00 C ATOM 28 O ALA A 3 -18.279 13.906 4.865 1.00 0.00 O ATOM 29 CB ALA A 3 -20.008 15.918 5.896 1.00 0.00 C ATOM 0 H ALA A 3 -18.006 15.540 7.524 1.00 0.00 H new ATOM 0 HA ALA A 3 -20.616 14.238 7.077 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -20.686 15.692 5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -20.479 16.637 6.567 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -19.085 16.342 5.500 1.00 0.00 H new ATOM 35 N ALA A 4 -19.545 12.350 5.883 1.00 0.00 N ATOM 36 CA ALA A 4 -19.071 11.255 5.047 1.00 0.00 C ATOM 37 C ALA A 4 -20.035 10.997 3.893 1.00 0.00 C ATOM 38 O ALA A 4 -19.657 10.428 2.869 1.00 0.00 O ATOM 39 CB ALA A 4 -18.889 9.995 5.879 1.00 0.00 C ATOM 0 H ALA A 4 -20.229 12.075 6.588 1.00 0.00 H new ATOM 0 HA ALA A 4 -18.106 11.538 4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -18.535 9.186 5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -18.160 10.182 6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -19.842 9.713 6.326 1.00 0.00 H new ATOM 45 N MET A 5 -21.284 11.420 4.069 1.00 0.00 N ATOM 46 CA MET A 5 -22.308 11.237 3.044 1.00 0.00 C ATOM 47 C MET A 5 -22.697 12.577 2.428 1.00 0.00 C ATOM 48 O MET A 5 -22.923 12.679 1.221 1.00 0.00 O ATOM 49 CB MET A 5 -23.541 10.549 3.645 1.00 0.00 C ATOM 50 CG MET A 5 -24.537 11.499 4.297 1.00 0.00 C ATOM 51 SD MET A 5 -25.812 10.633 5.233 1.00 0.00 S ATOM 52 CE MET A 5 -26.656 9.749 3.923 1.00 0.00 C ATOM 0 H MET A 5 -21.612 11.892 4.912 1.00 0.00 H new ATOM 0 HA MET A 5 -21.900 10.603 2.257 1.00 0.00 H new ATOM 0 HB2 MET A 5 -24.050 9.992 2.859 1.00 0.00 H new ATOM 0 HB3 MET A 5 -23.211 9.823 4.388 1.00 0.00 H new ATOM 0 HG2 MET A 5 -24.003 12.179 4.961 1.00 0.00 H new ATOM 0 HG3 MET A 5 -25.009 12.110 3.527 1.00 0.00 H new ATOM 0 HE1 MET A 5 -27.583 9.325 4.309 1.00 0.00 H new ATOM 0 HE2 MET A 5 -26.883 10.436 3.108 1.00 0.00 H new ATOM 0 HE3 MET A 5 -26.016 8.947 3.554 1.00 0.00 H new ATOM 62 N GLU A 6 -22.770 13.598 3.271 1.00 0.00 N ATOM 63 CA GLU A 6 -23.136 14.940 2.829 1.00 0.00 C ATOM 64 C GLU A 6 -22.111 15.498 1.846 1.00 0.00 C ATOM 65 O GLU A 6 -22.471 16.096 0.833 1.00 0.00 O ATOM 66 CB GLU A 6 -23.261 15.877 4.031 1.00 0.00 C ATOM 67 CG GLU A 6 -24.035 15.275 5.194 1.00 0.00 C ATOM 68 CD GLU A 6 -24.343 16.290 6.276 1.00 0.00 C ATOM 69 OE1 GLU A 6 -23.463 16.534 7.129 1.00 0.00 O ATOM 70 OE2 GLU A 6 -25.462 16.844 6.270 1.00 0.00 O ATOM 0 H GLU A 6 -22.580 13.523 4.270 1.00 0.00 H new ATOM 0 HA GLU A 6 -24.098 14.873 2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -22.263 16.151 4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -23.753 16.797 3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -24.968 14.850 4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -23.459 14.455 5.623 1.00 0.00 H new ATOM 77 N ARG A 7 -20.830 15.299 2.151 1.00 0.00 N ATOM 78 CA ARG A 7 -19.757 15.785 1.297 1.00 0.00 C ATOM 79 C ARG A 7 -18.426 15.153 1.690 1.00 0.00 C ATOM 80 O ARG A 7 -17.660 15.697 2.484 1.00 0.00 O ATOM 81 CB ARG A 7 -19.677 17.321 1.363 1.00 0.00 C ATOM 82 CG ARG A 7 -19.366 17.845 2.754 1.00 0.00 C ATOM 83 CD ARG A 7 -19.916 19.249 2.964 1.00 0.00 C ATOM 84 NE ARG A 7 -19.276 20.224 2.085 1.00 0.00 N ATOM 85 CZ ARG A 7 -19.274 21.534 2.313 1.00 0.00 C ATOM 86 NH1 ARG A 7 -19.877 22.026 3.388 1.00 0.00 N ATOM 87 NH2 ARG A 7 -18.672 22.355 1.465 1.00 0.00 N ATOM 0 H ARG A 7 -20.513 14.804 2.985 1.00 0.00 H new ATOM 0 HA ARG A 7 -19.974 15.496 0.269 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -18.910 17.668 0.671 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -20.624 17.742 1.026 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -19.791 17.173 3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -18.287 17.850 2.908 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -20.991 19.248 2.783 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -19.768 19.545 4.003 1.00 0.00 H new ATOM 0 HE ARG A 7 -18.804 19.881 1.249 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -20.344 21.399 4.043 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -19.873 23.031 3.560 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -18.209 21.982 0.636 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -18.671 23.360 1.641 1.00 0.00 H new ATOM 101 N GLN A 8 -18.173 13.988 1.120 1.00 0.00 N ATOM 102 CA GLN A 8 -16.940 13.249 1.383 1.00 0.00 C ATOM 103 C GLN A 8 -15.718 14.144 1.190 1.00 0.00 C ATOM 104 O GLN A 8 -15.702 15.011 0.314 1.00 0.00 O ATOM 105 CB GLN A 8 -16.848 12.021 0.469 1.00 0.00 C ATOM 106 CG GLN A 8 -16.264 12.307 -0.909 1.00 0.00 C ATOM 107 CD GLN A 8 -16.374 11.121 -1.848 1.00 0.00 C ATOM 108 OE1 GLN A 8 -16.511 11.286 -3.061 1.00 0.00 O ATOM 109 NE2 GLN A 8 -16.309 9.915 -1.294 1.00 0.00 N ATOM 0 H GLN A 8 -18.807 13.527 0.467 1.00 0.00 H new ATOM 0 HA GLN A 8 -16.959 12.914 2.420 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -16.237 11.263 0.959 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -17.845 11.598 0.347 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.779 13.162 -1.347 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.216 12.586 -0.804 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.195 9.823 -0.285 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -16.373 9.081 -1.878 1.00 0.00 H new ATOM 118 N VAL A 9 -14.698 13.931 2.015 1.00 0.00 N ATOM 119 CA VAL A 9 -13.474 14.717 1.939 1.00 0.00 C ATOM 120 C VAL A 9 -12.503 14.121 0.922 1.00 0.00 C ATOM 121 O VAL A 9 -12.383 12.901 0.807 1.00 0.00 O ATOM 122 CB VAL A 9 -12.809 14.832 3.331 1.00 0.00 C ATOM 123 CG1 VAL A 9 -11.318 15.136 3.248 1.00 0.00 C ATOM 124 CG2 VAL A 9 -13.507 15.895 4.159 1.00 0.00 C ATOM 0 H VAL A 9 -14.696 13.219 2.745 1.00 0.00 H new ATOM 0 HA VAL A 9 -13.738 15.720 1.604 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.913 13.860 3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.904 15.206 4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.814 14.338 2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.168 16.082 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -13.030 15.966 5.136 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.437 16.856 3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -14.556 15.627 4.286 1.00 0.00 H new ATOM 134 N PRO A 10 -11.810 14.997 0.168 1.00 0.00 N ATOM 135 CA PRO A 10 -10.853 14.608 -0.864 1.00 0.00 C ATOM 136 C PRO A 10 -10.137 13.299 -0.561 1.00 0.00 C ATOM 137 O PRO A 10 -9.475 13.163 0.468 1.00 0.00 O ATOM 138 CB PRO A 10 -9.877 15.773 -0.852 1.00 0.00 C ATOM 139 CG PRO A 10 -10.709 16.969 -0.494 1.00 0.00 C ATOM 140 CD PRO A 10 -11.901 16.462 0.284 1.00 0.00 C ATOM 0 HA PRO A 10 -11.334 14.426 -1.825 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.080 15.614 -0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.401 15.900 -1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.132 17.676 0.102 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.031 17.497 -1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.863 16.782 1.325 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.837 16.837 -0.131 1.00 0.00 H new ATOM 148 N TYR A 11 -10.282 12.337 -1.470 1.00 0.00 N ATOM 149 CA TYR A 11 -9.657 11.029 -1.323 1.00 0.00 C ATOM 150 C TYR A 11 -8.184 11.165 -0.947 1.00 0.00 C ATOM 151 O TYR A 11 -7.500 12.082 -1.401 1.00 0.00 O ATOM 152 CB TYR A 11 -9.791 10.240 -2.622 1.00 0.00 C ATOM 153 CG TYR A 11 -9.577 8.758 -2.447 1.00 0.00 C ATOM 154 CD1 TYR A 11 -10.614 7.936 -2.031 1.00 0.00 C ATOM 155 CD2 TYR A 11 -8.338 8.183 -2.691 1.00 0.00 C ATOM 156 CE1 TYR A 11 -10.424 6.580 -1.864 1.00 0.00 C ATOM 157 CE2 TYR A 11 -8.138 6.827 -2.524 1.00 0.00 C ATOM 158 CZ TYR A 11 -9.184 6.029 -2.111 1.00 0.00 C ATOM 159 OH TYR A 11 -8.989 4.677 -1.943 1.00 0.00 O ATOM 0 H TYR A 11 -10.832 12.443 -2.322 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.166 10.495 -0.521 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.783 10.409 -3.041 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.070 10.621 -3.346 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.586 8.365 -1.835 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.518 8.805 -3.016 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -11.242 5.953 -1.541 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.168 6.394 -2.716 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.825 4.260 -1.647 1.00 0.00 H new ATOM 169 N THR A 12 -7.702 10.242 -0.118 1.00 0.00 N ATOM 170 CA THR A 12 -6.312 10.264 0.324 1.00 0.00 C ATOM 171 C THR A 12 -5.846 8.876 0.766 1.00 0.00 C ATOM 172 O THR A 12 -6.099 8.467 1.900 1.00 0.00 O ATOM 173 CB THR A 12 -6.115 11.252 1.493 1.00 0.00 C ATOM 174 OG1 THR A 12 -6.461 12.579 1.079 1.00 0.00 O ATOM 175 CG2 THR A 12 -4.677 11.230 1.992 1.00 0.00 C ATOM 0 H THR A 12 -8.253 9.471 0.260 1.00 0.00 H new ATOM 0 HA THR A 12 -5.715 10.588 -0.529 1.00 0.00 H new ATOM 0 HB THR A 12 -6.768 10.944 2.309 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.334 13.199 1.828 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.567 11.935 2.816 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.427 10.227 2.338 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.006 11.512 1.181 1.00 0.00 H new ATOM 183 N PRO A 13 -5.162 8.129 -0.121 1.00 0.00 N ATOM 184 CA PRO A 13 -4.660 6.789 0.194 1.00 0.00 C ATOM 185 C PRO A 13 -3.386 6.828 1.028 1.00 0.00 C ATOM 186 O PRO A 13 -2.745 7.872 1.147 1.00 0.00 O ATOM 187 CB PRO A 13 -4.381 6.210 -1.183 1.00 0.00 C ATOM 188 CG PRO A 13 -3.912 7.390 -1.932 1.00 0.00 C ATOM 189 CD PRO A 13 -4.817 8.513 -1.505 1.00 0.00 C ATOM 0 HA PRO A 13 -5.364 6.208 0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.626 5.424 -1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.275 5.774 -1.629 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.870 7.614 -1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.972 7.223 -3.007 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.314 9.479 -1.546 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.701 8.587 -2.139 1.00 0.00 H new ATOM 197 N CYS A 14 -3.024 5.682 1.595 1.00 0.00 N ATOM 198 CA CYS A 14 -1.827 5.571 2.420 1.00 0.00 C ATOM 199 C CYS A 14 -1.744 6.681 3.451 1.00 0.00 C ATOM 200 O CYS A 14 -2.734 7.349 3.754 1.00 0.00 O ATOM 201 CB CYS A 14 -0.597 5.582 1.534 1.00 0.00 C ATOM 202 SG CYS A 14 0.385 4.052 1.628 1.00 0.00 S ATOM 0 H CYS A 14 -3.547 4.812 1.497 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.879 4.628 2.965 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.905 5.743 0.501 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.034 6.426 1.813 1.00 0.00 H new ATOM 207 N SER A 15 -0.552 6.862 3.995 1.00 0.00 N ATOM 208 CA SER A 15 -0.327 7.876 5.014 1.00 0.00 C ATOM 209 C SER A 15 0.929 8.714 4.748 1.00 0.00 C ATOM 210 O SER A 15 1.391 8.821 3.617 1.00 0.00 O ATOM 211 CB SER A 15 -0.230 7.214 6.392 1.00 0.00 C ATOM 212 OG SER A 15 -1.321 6.338 6.615 1.00 0.00 O ATOM 0 H SER A 15 0.276 6.320 3.748 1.00 0.00 H new ATOM 0 HA SER A 15 -1.178 8.557 4.984 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.706 6.661 6.468 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.211 7.981 7.167 1.00 0.00 H new ATOM 0 HG SER A 15 -1.235 5.927 7.501 1.00 0.00 H new ATOM 218 N GLY A 16 1.424 9.298 5.841 1.00 0.00 N ATOM 219 CA GLY A 16 2.609 10.170 5.897 1.00 0.00 C ATOM 220 C GLY A 16 3.627 10.117 4.754 1.00 0.00 C ATOM 221 O GLY A 16 3.304 9.920 3.592 1.00 0.00 O ATOM 0 H GLY A 16 0.992 9.173 6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.257 11.198 5.976 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.140 9.943 6.821 1.00 0.00 H new ATOM 225 N LEU A 17 4.874 10.395 5.142 1.00 0.00 N ATOM 226 CA LEU A 17 6.049 10.473 4.255 1.00 0.00 C ATOM 227 C LEU A 17 5.932 9.700 2.939 1.00 0.00 C ATOM 228 O LEU A 17 6.304 10.222 1.887 1.00 0.00 O ATOM 229 CB LEU A 17 7.272 9.950 5.024 1.00 0.00 C ATOM 230 CG LEU A 17 8.642 10.439 4.540 1.00 0.00 C ATOM 231 CD1 LEU A 17 9.014 9.817 3.202 1.00 0.00 C ATOM 232 CD2 LEU A 17 8.651 11.953 4.449 1.00 0.00 C ATOM 0 H LEU A 17 5.107 10.580 6.118 1.00 0.00 H new ATOM 0 HA LEU A 17 6.139 11.522 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.161 10.228 6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.263 8.861 4.980 1.00 0.00 H new ATOM 0 HG LEU A 17 9.391 10.124 5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.991 10.185 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.051 8.732 3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.268 10.087 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.628 12.291 4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.885 12.280 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.446 12.378 5.432 1.00 0.00 H new ATOM 244 N TYR A 18 5.412 8.487 2.970 1.00 0.00 N ATOM 245 CA TYR A 18 5.342 7.685 1.749 1.00 0.00 C ATOM 246 C TYR A 18 4.347 8.256 0.739 1.00 0.00 C ATOM 247 O TYR A 18 4.588 8.212 -0.467 1.00 0.00 O ATOM 248 CB TYR A 18 4.986 6.251 2.118 1.00 0.00 C ATOM 249 CG TYR A 18 5.586 5.832 3.441 1.00 0.00 C ATOM 250 CD1 TYR A 18 6.954 5.616 3.567 1.00 0.00 C ATOM 251 CD2 TYR A 18 4.792 5.683 4.570 1.00 0.00 C ATOM 252 CE1 TYR A 18 7.511 5.257 4.778 1.00 0.00 C ATOM 253 CE2 TYR A 18 5.343 5.328 5.786 1.00 0.00 C ATOM 254 CZ TYR A 18 6.701 5.116 5.886 1.00 0.00 C ATOM 255 OH TYR A 18 7.253 4.765 7.096 1.00 0.00 O ATOM 0 H TYR A 18 5.037 8.037 3.805 1.00 0.00 H new ATOM 0 HA TYR A 18 6.318 7.708 1.264 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.902 6.149 2.165 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.336 5.579 1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 18 7.591 5.731 2.703 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.727 5.847 4.496 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.575 5.087 4.858 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.712 5.217 6.655 1.00 0.00 H new ATOM 0 HH TYR A 18 8.149 4.395 6.952 1.00 0.00 H new ATOM 265 N GLY A 19 3.249 8.808 1.237 1.00 0.00 N ATOM 266 CA GLY A 19 2.259 9.445 0.378 1.00 0.00 C ATOM 267 C GLY A 19 1.667 8.558 -0.715 1.00 0.00 C ATOM 268 O GLY A 19 0.685 8.951 -1.346 1.00 0.00 O ATOM 0 H GLY A 19 3.021 8.828 2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.445 9.814 1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.718 10.314 -0.093 1.00 0.00 H new ATOM 272 N THR A 20 2.235 7.373 -0.954 1.00 0.00 N ATOM 273 CA THR A 20 1.729 6.506 -2.017 1.00 0.00 C ATOM 274 C THR A 20 1.375 5.116 -1.505 1.00 0.00 C ATOM 275 O THR A 20 2.037 4.582 -0.617 1.00 0.00 O ATOM 276 CB THR A 20 2.754 6.368 -3.161 1.00 0.00 C ATOM 277 OG1 THR A 20 3.151 7.667 -3.619 1.00 0.00 O ATOM 278 CG2 THR A 20 2.170 5.576 -4.324 1.00 0.00 C ATOM 0 H THR A 20 3.030 6.999 -0.436 1.00 0.00 H new ATOM 0 HA THR A 20 0.823 6.982 -2.391 1.00 0.00 H new ATOM 0 HB THR A 20 3.622 5.832 -2.777 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.803 7.573 -4.344 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.913 5.493 -5.117 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.892 4.579 -3.982 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.287 6.088 -4.706 1.00 0.00 H new ATOM 286 N ALA A 21 0.338 4.532 -2.098 1.00 0.00 N ATOM 287 CA ALA A 21 -0.120 3.204 -1.718 1.00 0.00 C ATOM 288 C ALA A 21 0.153 2.221 -2.849 1.00 0.00 C ATOM 289 O ALA A 21 -0.495 2.276 -3.894 1.00 0.00 O ATOM 290 CB ALA A 21 -1.607 3.237 -1.379 1.00 0.00 C ATOM 0 H ALA A 21 -0.203 4.963 -2.848 1.00 0.00 H new ATOM 0 HA ALA A 21 0.425 2.877 -0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.938 2.238 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.776 3.923 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.171 3.573 -2.249 1.00 0.00 H new ATOM 296 N GLN A 22 1.114 1.325 -2.643 1.00 0.00 N ATOM 297 CA GLN A 22 1.473 0.356 -3.670 1.00 0.00 C ATOM 298 C GLN A 22 1.490 -1.066 -3.121 1.00 0.00 C ATOM 299 O GLN A 22 1.086 -1.315 -1.985 1.00 0.00 O ATOM 300 CB GLN A 22 2.847 0.697 -4.259 1.00 0.00 C ATOM 301 CG GLN A 22 3.039 2.173 -4.575 1.00 0.00 C ATOM 302 CD GLN A 22 2.484 2.575 -5.931 1.00 0.00 C ATOM 303 OE1 GLN A 22 3.033 3.452 -6.599 1.00 0.00 O ATOM 304 NE2 GLN A 22 1.387 1.950 -6.338 1.00 0.00 N ATOM 0 H GLN A 22 1.654 1.251 -1.781 1.00 0.00 H new ATOM 0 HA GLN A 22 0.715 0.408 -4.451 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.619 0.383 -3.557 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.993 0.119 -5.172 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.555 2.769 -3.801 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.103 2.409 -4.541 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.964 1.229 -5.753 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.966 2.190 -7.236 1.00 0.00 H new ATOM 313 N CYS A 23 1.967 -1.992 -3.947 1.00 0.00 N ATOM 314 CA CYS A 23 2.048 -3.399 -3.571 1.00 0.00 C ATOM 315 C CYS A 23 3.393 -3.970 -3.998 1.00 0.00 C ATOM 316 O CYS A 23 3.616 -4.227 -5.180 1.00 0.00 O ATOM 317 CB CYS A 23 0.915 -4.189 -4.228 1.00 0.00 C ATOM 318 SG CYS A 23 0.390 -5.652 -3.287 1.00 0.00 S ATOM 0 H CYS A 23 2.306 -1.791 -4.888 1.00 0.00 H new ATOM 0 HA CYS A 23 1.950 -3.481 -2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.057 -3.530 -4.363 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.234 -4.504 -5.221 1.00 0.00 H new ATOM 323 N CYS A 24 4.282 -4.181 -3.033 1.00 0.00 N ATOM 324 CA CYS A 24 5.615 -4.694 -3.329 1.00 0.00 C ATOM 325 C CYS A 24 5.941 -5.931 -2.498 1.00 0.00 C ATOM 326 O CYS A 24 5.432 -6.102 -1.390 1.00 0.00 O ATOM 327 CB CYS A 24 6.668 -3.613 -3.064 1.00 0.00 C ATOM 328 SG CYS A 24 6.128 -1.902 -3.409 1.00 0.00 S ATOM 0 H CYS A 24 4.105 -4.006 -2.044 1.00 0.00 H new ATOM 0 HA CYS A 24 5.630 -4.976 -4.382 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.976 -3.676 -2.020 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.548 -3.829 -3.670 1.00 0.00 H new ATOM 333 N ALA A 25 6.797 -6.789 -3.049 1.00 0.00 N ATOM 334 CA ALA A 25 7.220 -8.005 -2.367 1.00 0.00 C ATOM 335 C ALA A 25 8.453 -7.726 -1.520 1.00 0.00 C ATOM 336 O ALA A 25 9.095 -6.687 -1.674 1.00 0.00 O ATOM 337 CB ALA A 25 7.501 -9.109 -3.376 1.00 0.00 C ATOM 0 H ALA A 25 7.212 -6.661 -3.972 1.00 0.00 H new ATOM 0 HA ALA A 25 6.416 -8.339 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.816 -10.011 -2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.597 -9.319 -3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.292 -8.789 -4.054 1.00 0.00 H new ATOM 343 N THR A 26 8.786 -8.652 -0.633 1.00 0.00 N ATOM 344 CA THR A 26 9.941 -8.476 0.240 1.00 0.00 C ATOM 345 C THR A 26 10.960 -9.601 0.078 1.00 0.00 C ATOM 346 O THR A 26 10.624 -10.698 -0.366 1.00 0.00 O ATOM 347 CB THR A 26 9.522 -8.374 1.718 1.00 0.00 C ATOM 348 OG1 THR A 26 10.613 -7.879 2.493 1.00 0.00 O ATOM 349 CG2 THR A 26 9.087 -9.725 2.262 1.00 0.00 C ATOM 0 H THR A 26 8.279 -9.527 -0.498 1.00 0.00 H new ATOM 0 HA THR A 26 10.410 -7.540 -0.062 1.00 0.00 H new ATOM 0 HB THR A 26 8.677 -7.689 1.784 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.379 -7.004 2.866 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.797 -9.620 3.308 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.238 -10.093 1.685 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.913 -10.432 2.184 1.00 0.00 H new ATOM 357 N ASP A 27 12.209 -9.313 0.445 1.00 0.00 N ATOM 358 CA ASP A 27 13.290 -10.283 0.330 1.00 0.00 C ATOM 359 C ASP A 27 13.365 -11.181 1.559 1.00 0.00 C ATOM 360 O ASP A 27 12.475 -11.166 2.411 1.00 0.00 O ATOM 361 CB ASP A 27 14.626 -9.565 0.131 1.00 0.00 C ATOM 362 CG ASP A 27 15.200 -9.040 1.431 1.00 0.00 C ATOM 363 OD1 ASP A 27 14.559 -8.169 2.053 1.00 0.00 O ATOM 364 OD2 ASP A 27 16.293 -9.499 1.826 1.00 0.00 O ATOM 0 H ASP A 27 12.494 -8.411 0.826 1.00 0.00 H new ATOM 0 HA ASP A 27 13.083 -10.910 -0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.339 -10.251 -0.327 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.490 -8.736 -0.564 1.00 0.00 H new ATOM 369 N VAL A 28 14.436 -11.959 1.638 1.00 0.00 N ATOM 370 CA VAL A 28 14.646 -12.878 2.748 1.00 0.00 C ATOM 371 C VAL A 28 14.739 -12.156 4.093 1.00 0.00 C ATOM 372 O VAL A 28 14.127 -12.582 5.073 1.00 0.00 O ATOM 373 CB VAL A 28 15.915 -13.722 2.540 1.00 0.00 C ATOM 374 CG1 VAL A 28 15.665 -14.776 1.479 1.00 0.00 C ATOM 375 CG2 VAL A 28 17.096 -12.843 2.159 1.00 0.00 C ATOM 0 H VAL A 28 15.179 -11.971 0.939 1.00 0.00 H new ATOM 0 HA VAL A 28 13.773 -13.531 2.769 1.00 0.00 H new ATOM 0 HB VAL A 28 16.161 -14.219 3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 28 16.568 -15.370 1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.849 -15.426 1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.398 -14.291 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.981 -13.464 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.872 -12.314 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 28 17.283 -12.120 2.953 1.00 0.00 H new ATOM 385 N LEU A 29 15.498 -11.064 4.139 1.00 0.00 N ATOM 386 CA LEU A 29 15.672 -10.311 5.374 1.00 0.00 C ATOM 387 C LEU A 29 14.477 -9.396 5.644 1.00 0.00 C ATOM 388 O LEU A 29 14.252 -8.978 6.779 1.00 0.00 O ATOM 389 CB LEU A 29 16.963 -9.501 5.308 1.00 0.00 C ATOM 390 CG LEU A 29 18.182 -10.293 4.841 1.00 0.00 C ATOM 391 CD1 LEU A 29 19.363 -9.363 4.615 1.00 0.00 C ATOM 392 CD2 LEU A 29 18.529 -11.370 5.856 1.00 0.00 C ATOM 0 H LEU A 29 16.000 -10.683 3.337 1.00 0.00 H new ATOM 0 HA LEU A 29 15.735 -11.019 6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.814 -8.657 4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 29 17.170 -9.088 6.296 1.00 0.00 H new ATOM 0 HG LEU A 29 17.945 -10.777 3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 29 20.224 -9.943 4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 29 19.106 -8.626 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.607 -8.852 5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 29 19.400 -11.928 5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.752 -10.906 6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.684 -12.050 5.969 1.00 0.00 H new ATOM 404 N GLY A 30 13.715 -9.087 4.596 1.00 0.00 N ATOM 405 CA GLY A 30 12.545 -8.237 4.754 1.00 0.00 C ATOM 406 C GLY A 30 12.714 -6.845 4.157 1.00 0.00 C ATOM 407 O GLY A 30 11.727 -6.142 3.939 1.00 0.00 O ATOM 0 H GLY A 30 13.886 -9.409 3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.689 -8.722 4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.316 -8.142 5.816 1.00 0.00 H new ATOM 411 N VAL A 31 13.953 -6.429 3.910 1.00 0.00 N ATOM 412 CA VAL A 31 14.206 -5.114 3.333 1.00 0.00 C ATOM 413 C VAL A 31 14.520 -5.220 1.844 1.00 0.00 C ATOM 414 O VAL A 31 15.607 -5.659 1.466 1.00 0.00 O ATOM 415 CB VAL A 31 15.377 -4.405 4.044 1.00 0.00 C ATOM 416 CG1 VAL A 31 15.548 -2.988 3.517 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.161 -4.397 5.550 1.00 0.00 C ATOM 0 H VAL A 31 14.791 -6.979 4.099 1.00 0.00 H new ATOM 0 HA VAL A 31 13.298 -4.527 3.470 1.00 0.00 H new ATOM 0 HB VAL A 31 16.292 -4.958 3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 31 16.379 -2.506 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 31 15.754 -3.020 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.634 -2.421 3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.997 -3.893 6.035 1.00 0.00 H new ATOM 0 HG22 VAL A 31 14.235 -3.870 5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.096 -5.422 5.914 1.00 0.00 H new ATOM 427 N ALA A 32 13.572 -4.792 1.006 1.00 0.00 N ATOM 428 CA ALA A 32 13.746 -4.830 -0.445 1.00 0.00 C ATOM 429 C ALA A 32 12.472 -4.405 -1.170 1.00 0.00 C ATOM 430 O ALA A 32 11.417 -4.240 -0.556 1.00 0.00 O ATOM 431 CB ALA A 32 14.149 -6.225 -0.904 1.00 0.00 C ATOM 0 H ALA A 32 12.675 -4.415 1.310 1.00 0.00 H new ATOM 0 HA ALA A 32 14.540 -4.126 -0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.273 -6.230 -1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.089 -6.507 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.374 -6.938 -0.624 1.00 0.00 H new ATOM 437 N ASP A 33 12.587 -4.232 -2.482 1.00 0.00 N ATOM 438 CA ASP A 33 11.459 -3.843 -3.320 1.00 0.00 C ATOM 439 C ASP A 33 11.412 -4.733 -4.561 1.00 0.00 C ATOM 440 O ASP A 33 11.948 -4.384 -5.613 1.00 0.00 O ATOM 441 CB ASP A 33 11.572 -2.366 -3.719 1.00 0.00 C ATOM 442 CG ASP A 33 10.553 -1.966 -4.769 1.00 0.00 C ATOM 443 OD1 ASP A 33 9.388 -1.712 -4.400 1.00 0.00 O ATOM 444 OD2 ASP A 33 10.922 -1.906 -5.961 1.00 0.00 O ATOM 0 H ASP A 33 13.461 -4.357 -2.993 1.00 0.00 H new ATOM 0 HA ASP A 33 10.535 -3.971 -2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.440 -1.743 -2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.575 -2.172 -4.099 1.00 0.00 H new ATOM 449 N LEU A 34 10.768 -5.888 -4.421 1.00 0.00 N ATOM 450 CA LEU A 34 10.669 -6.856 -5.510 1.00 0.00 C ATOM 451 C LEU A 34 9.258 -6.936 -6.077 1.00 0.00 C ATOM 452 O LEU A 34 8.286 -6.963 -5.328 1.00 0.00 O ATOM 453 CB LEU A 34 11.065 -8.235 -4.998 1.00 0.00 C ATOM 454 CG LEU A 34 12.132 -8.227 -3.907 1.00 0.00 C ATOM 455 CD1 LEU A 34 12.173 -9.563 -3.186 1.00 0.00 C ATOM 456 CD2 LEU A 34 13.489 -7.897 -4.502 1.00 0.00 C ATOM 0 H LEU A 34 10.305 -6.178 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 34 11.339 -6.526 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.176 -8.734 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.427 -8.829 -5.837 1.00 0.00 H new ATOM 0 HG LEU A 34 11.876 -7.458 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.940 -9.536 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.203 -9.759 -2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.405 -10.354 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.241 -7.894 -3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.750 -8.646 -5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.451 -6.914 -4.971 1.00 0.00 H new ATOM 468 N ASP A 35 9.161 -6.988 -7.402 1.00 0.00 N ATOM 469 CA ASP A 35 7.873 -7.097 -8.081 1.00 0.00 C ATOM 470 C ASP A 35 6.833 -6.198 -7.429 1.00 0.00 C ATOM 471 O ASP A 35 6.018 -6.658 -6.628 1.00 0.00 O ATOM 472 CB ASP A 35 7.389 -8.548 -8.059 1.00 0.00 C ATOM 473 CG ASP A 35 6.121 -8.747 -8.867 1.00 0.00 C ATOM 474 OD1 ASP A 35 6.228 -9.033 -10.078 1.00 0.00 O ATOM 475 OD2 ASP A 35 5.021 -8.617 -8.289 1.00 0.00 O ATOM 0 H ASP A 35 9.964 -6.956 -8.030 1.00 0.00 H new ATOM 0 HA ASP A 35 8.007 -6.775 -9.114 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.173 -9.195 -8.452 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.211 -8.853 -7.028 1.00 0.00 H new ATOM 480 N CYS A 36 6.858 -4.920 -7.775 1.00 0.00 N ATOM 481 CA CYS A 36 5.906 -3.974 -7.201 1.00 0.00 C ATOM 482 C CYS A 36 5.187 -3.180 -8.289 1.00 0.00 C ATOM 483 O CYS A 36 5.793 -2.773 -9.280 1.00 0.00 O ATOM 484 CB CYS A 36 6.599 -3.023 -6.217 1.00 0.00 C ATOM 485 SG CYS A 36 5.448 -1.925 -5.330 1.00 0.00 S ATOM 0 H CYS A 36 7.516 -4.515 -8.441 1.00 0.00 H new ATOM 0 HA CYS A 36 5.161 -4.553 -6.655 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.160 -3.611 -5.490 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.322 -2.415 -6.761 1.00 0.00 H new ATOM 490 N ALA A 37 3.887 -2.967 -8.091 1.00 0.00 N ATOM 491 CA ALA A 37 3.073 -2.232 -9.051 1.00 0.00 C ATOM 492 C ALA A 37 1.850 -1.616 -8.381 1.00 0.00 C ATOM 493 O ALA A 37 1.711 -1.658 -7.158 1.00 0.00 O ATOM 494 CB ALA A 37 2.645 -3.150 -10.184 1.00 0.00 C ATOM 0 H ALA A 37 3.376 -3.295 -7.271 1.00 0.00 H new ATOM 0 HA ALA A 37 3.678 -1.421 -9.457 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.037 -2.591 -10.896 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.528 -3.541 -10.689 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.062 -3.978 -9.781 1.00 0.00 H new ATOM 500 N ASN A 38 0.970 -1.044 -9.193 1.00 0.00 N ATOM 501 CA ASN A 38 -0.248 -0.415 -8.688 1.00 0.00 C ATOM 502 C ASN A 38 -1.173 -1.455 -8.045 1.00 0.00 C ATOM 503 O ASN A 38 -1.407 -2.521 -8.616 1.00 0.00 O ATOM 504 CB ASN A 38 -0.986 0.309 -9.831 1.00 0.00 C ATOM 505 CG ASN A 38 -1.750 -0.652 -10.725 1.00 0.00 C ATOM 506 OD1 ASN A 38 -2.929 -0.922 -10.498 1.00 0.00 O ATOM 507 ND2 ASN A 38 -1.079 -1.177 -11.746 1.00 0.00 N ATOM 0 H ASN A 38 1.076 -1.002 -10.207 1.00 0.00 H new ATOM 0 HA ASN A 38 0.035 0.313 -7.927 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.678 1.037 -9.409 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.265 0.865 -10.431 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -1.541 -1.831 -12.378 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.102 -0.926 -11.898 1.00 0.00 H new ATOM 514 N PRO A 39 -1.706 -1.164 -6.840 1.00 0.00 N ATOM 515 CA PRO A 39 -2.606 -2.069 -6.132 1.00 0.00 C ATOM 516 C PRO A 39 -4.071 -1.809 -6.485 1.00 0.00 C ATOM 517 O PRO A 39 -4.630 -0.781 -6.101 1.00 0.00 O ATOM 518 CB PRO A 39 -2.335 -1.719 -4.673 1.00 0.00 C ATOM 519 CG PRO A 39 -1.998 -0.262 -4.683 1.00 0.00 C ATOM 520 CD PRO A 39 -1.473 0.069 -6.064 1.00 0.00 C ATOM 0 HA PRO A 39 -2.438 -3.117 -6.380 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.207 -1.919 -4.050 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.514 -2.312 -4.270 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.879 0.338 -4.453 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.250 -0.035 -3.923 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.000 0.919 -6.498 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.415 0.329 -6.037 1.00 0.00 H new ATOM 528 N PRO A 40 -4.720 -2.732 -7.222 1.00 0.00 N ATOM 529 CA PRO A 40 -6.111 -2.568 -7.624 1.00 0.00 C ATOM 530 C PRO A 40 -7.093 -3.164 -6.620 1.00 0.00 C ATOM 531 O PRO A 40 -7.123 -4.378 -6.412 1.00 0.00 O ATOM 532 CB PRO A 40 -6.148 -3.352 -8.929 1.00 0.00 C ATOM 533 CG PRO A 40 -5.183 -4.481 -8.719 1.00 0.00 C ATOM 534 CD PRO A 40 -4.165 -4.006 -7.708 1.00 0.00 C ATOM 0 HA PRO A 40 -6.406 -1.522 -7.703 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.151 -3.722 -9.141 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.853 -2.730 -9.774 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.701 -5.369 -8.357 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.698 -4.754 -9.656 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.042 -4.724 -6.897 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.184 -3.867 -8.163 1.00 0.00 H new ATOM 542 N ALA A 41 -7.895 -2.300 -6.007 1.00 0.00 N ATOM 543 CA ALA A 41 -8.897 -2.730 -5.040 1.00 0.00 C ATOM 544 C ALA A 41 -9.751 -1.554 -4.588 1.00 0.00 C ATOM 545 O ALA A 41 -9.564 -0.426 -5.044 1.00 0.00 O ATOM 546 CB ALA A 41 -8.234 -3.388 -3.840 1.00 0.00 C ATOM 0 H ALA A 41 -7.870 -1.293 -6.164 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.544 -3.460 -5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.998 -3.702 -3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.666 -4.258 -4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.562 -2.676 -3.360 1.00 0.00 H new ATOM 552 N THR A 42 -10.691 -1.824 -3.689 1.00 0.00 N ATOM 553 CA THR A 42 -11.544 -0.783 -3.144 1.00 0.00 C ATOM 554 C THR A 42 -11.110 -0.477 -1.715 1.00 0.00 C ATOM 555 O THR A 42 -11.620 -1.067 -0.762 1.00 0.00 O ATOM 556 CB THR A 42 -13.020 -1.210 -3.149 1.00 0.00 C ATOM 557 OG1 THR A 42 -13.406 -1.625 -4.465 1.00 0.00 O ATOM 558 CG2 THR A 42 -13.903 -0.061 -2.694 1.00 0.00 C ATOM 0 H THR A 42 -10.879 -2.758 -3.324 1.00 0.00 H new ATOM 0 HA THR A 42 -11.445 0.105 -3.769 1.00 0.00 H new ATOM 0 HB THR A 42 -13.143 -2.045 -2.459 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.347 -1.897 -4.459 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.946 -0.378 -2.703 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.622 0.236 -1.683 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.776 0.785 -3.369 1.00 0.00 H new ATOM 566 N LEU A 43 -10.167 0.450 -1.573 1.00 0.00 N ATOM 567 CA LEU A 43 -9.647 0.808 -0.255 1.00 0.00 C ATOM 568 C LEU A 43 -10.715 1.475 0.603 1.00 0.00 C ATOM 569 O LEU A 43 -11.295 2.489 0.216 1.00 0.00 O ATOM 570 CB LEU A 43 -8.425 1.730 -0.376 1.00 0.00 C ATOM 571 CG LEU A 43 -7.344 1.281 -1.370 1.00 0.00 C ATOM 572 CD1 LEU A 43 -6.068 2.084 -1.163 1.00 0.00 C ATOM 573 CD2 LEU A 43 -7.063 -0.211 -1.234 1.00 0.00 C ATOM 0 H LEU A 43 -9.749 0.965 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.342 -0.118 0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.770 2.722 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.968 1.827 0.609 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.713 1.465 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.311 1.754 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.275 3.143 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.702 1.931 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.294 -0.503 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.718 -0.426 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.976 -0.773 -1.433 1.00 0.00 H new ATOM 585 N ALA A 44 -10.967 0.893 1.771 1.00 0.00 N ATOM 586 CA ALA A 44 -11.956 1.428 2.696 1.00 0.00 C ATOM 587 C ALA A 44 -11.311 1.792 4.028 1.00 0.00 C ATOM 588 O ALA A 44 -11.627 2.824 4.620 1.00 0.00 O ATOM 589 CB ALA A 44 -13.078 0.427 2.907 1.00 0.00 C ATOM 0 H ALA A 44 -10.498 0.049 2.099 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.375 2.336 2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.809 0.841 3.601 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.562 0.216 1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.670 -0.496 3.319 1.00 0.00 H new ATOM 595 N ASN A 45 -10.398 0.940 4.492 1.00 0.00 N ATOM 596 CA ASN A 45 -9.701 1.175 5.752 1.00 0.00 C ATOM 597 C ASN A 45 -8.312 0.537 5.738 1.00 0.00 C ATOM 598 O ASN A 45 -7.826 0.111 4.691 1.00 0.00 O ATOM 599 CB ASN A 45 -10.514 0.622 6.928 1.00 0.00 C ATOM 600 CG ASN A 45 -11.882 1.266 7.044 1.00 0.00 C ATOM 601 OD1 ASN A 45 -12.047 2.281 7.719 1.00 0.00 O ATOM 602 ND2 ASN A 45 -12.873 0.674 6.386 1.00 0.00 N ATOM 0 H ASN A 45 -10.125 0.082 4.013 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.587 2.252 5.873 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.632 -0.455 6.809 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -9.962 0.781 7.854 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.816 1.060 6.429 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.691 -0.167 5.838 1.00 0.00 H new ATOM 609 N ALA A 46 -7.682 0.475 6.908 1.00 0.00 N ATOM 610 CA ALA A 46 -6.349 -0.107 7.033 1.00 0.00 C ATOM 611 C ALA A 46 -6.354 -1.590 6.681 1.00 0.00 C ATOM 612 O ALA A 46 -5.533 -2.052 5.889 1.00 0.00 O ATOM 613 CB ALA A 46 -5.811 0.101 8.441 1.00 0.00 C ATOM 0 H ALA A 46 -8.074 0.821 7.784 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.695 0.402 6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.816 -0.338 8.519 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.754 1.168 8.655 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.476 -0.378 9.159 1.00 0.00 H new ATOM 619 N THR A 47 -7.283 -2.332 7.275 1.00 0.00 N ATOM 620 CA THR A 47 -7.393 -3.759 7.030 1.00 0.00 C ATOM 621 C THR A 47 -7.781 -4.031 5.583 1.00 0.00 C ATOM 622 O THR A 47 -7.261 -4.953 4.954 1.00 0.00 O ATOM 623 CB THR A 47 -8.431 -4.392 7.973 1.00 0.00 C ATOM 624 OG1 THR A 47 -7.950 -4.363 9.322 1.00 0.00 O ATOM 625 CG2 THR A 47 -8.736 -5.824 7.569 1.00 0.00 C ATOM 0 H THR A 47 -7.971 -1.964 7.931 1.00 0.00 H new ATOM 0 HA THR A 47 -6.418 -4.207 7.223 1.00 0.00 H new ATOM 0 HB THR A 47 -9.351 -3.811 7.902 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.617 -4.766 9.916 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.472 -6.246 8.253 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.133 -5.839 6.554 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.822 -6.416 7.610 1.00 0.00 H new ATOM 633 N HIS A 48 -8.699 -3.223 5.060 1.00 0.00 N ATOM 634 CA HIS A 48 -9.142 -3.372 3.684 1.00 0.00 C ATOM 635 C HIS A 48 -7.962 -3.188 2.739 1.00 0.00 C ATOM 636 O HIS A 48 -7.900 -3.802 1.673 1.00 0.00 O ATOM 637 CB HIS A 48 -10.241 -2.360 3.367 1.00 0.00 C ATOM 638 CG HIS A 48 -11.215 -2.839 2.337 1.00 0.00 C ATOM 639 ND1 HIS A 48 -12.581 -2.831 2.533 1.00 0.00 N ATOM 640 CD2 HIS A 48 -11.019 -3.341 1.095 1.00 0.00 C ATOM 641 CE1 HIS A 48 -13.181 -3.310 1.458 1.00 0.00 C ATOM 642 NE2 HIS A 48 -12.256 -3.625 0.571 1.00 0.00 N ATOM 0 H HIS A 48 -9.147 -2.462 5.569 1.00 0.00 H new ATOM 0 HA HIS A 48 -9.549 -4.374 3.550 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.781 -2.123 4.284 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -9.782 -1.435 3.019 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -10.067 -3.490 0.607 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.247 -3.424 1.327 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.432 -4.016 -0.354 1.00 0.00 H new ATOM 651 N PHE A 49 -7.025 -2.334 3.146 1.00 0.00 N ATOM 652 CA PHE A 49 -5.829 -2.076 2.354 1.00 0.00 C ATOM 653 C PHE A 49 -4.930 -3.307 2.354 1.00 0.00 C ATOM 654 O PHE A 49 -4.310 -3.634 1.342 1.00 0.00 O ATOM 655 CB PHE A 49 -5.070 -0.864 2.910 1.00 0.00 C ATOM 656 CG PHE A 49 -3.832 -0.510 2.130 1.00 0.00 C ATOM 657 CD1 PHE A 49 -3.853 -0.463 0.744 1.00 0.00 C ATOM 658 CD2 PHE A 49 -2.646 -0.223 2.787 1.00 0.00 C ATOM 659 CE1 PHE A 49 -2.715 -0.137 0.029 1.00 0.00 C ATOM 660 CE2 PHE A 49 -1.506 0.105 2.077 1.00 0.00 C ATOM 661 CZ PHE A 49 -1.541 0.147 0.698 1.00 0.00 C ATOM 0 H PHE A 49 -7.073 -1.810 4.020 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.128 -1.856 1.329 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.739 -0.003 2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.791 -1.065 3.944 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.769 -0.684 0.217 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.612 -0.256 3.866 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.744 -0.105 -1.050 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.589 0.328 2.601 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.651 0.402 0.142 1.00 0.00 H new ATOM 671 N GLU A 50 -4.862 -3.984 3.499 1.00 0.00 N ATOM 672 CA GLU A 50 -4.058 -5.193 3.622 1.00 0.00 C ATOM 673 C GLU A 50 -4.609 -6.280 2.705 1.00 0.00 C ATOM 674 O GLU A 50 -3.857 -7.005 2.056 1.00 0.00 O ATOM 675 CB GLU A 50 -4.057 -5.684 5.074 1.00 0.00 C ATOM 676 CG GLU A 50 -3.330 -7.005 5.272 1.00 0.00 C ATOM 677 CD GLU A 50 -3.437 -7.520 6.693 1.00 0.00 C ATOM 678 OE1 GLU A 50 -4.502 -8.065 7.050 1.00 0.00 O ATOM 679 OE2 GLU A 50 -2.455 -7.378 7.452 1.00 0.00 O ATOM 0 H GLU A 50 -5.353 -3.715 4.351 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.033 -4.965 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.592 -4.926 5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.087 -5.792 5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.741 -7.748 4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.279 -6.880 5.013 1.00 0.00 H new ATOM 686 N SER A 51 -5.934 -6.378 2.665 1.00 0.00 N ATOM 687 CA SER A 51 -6.620 -7.344 1.851 1.00 0.00 C ATOM 688 C SER A 51 -6.380 -7.091 0.363 1.00 0.00 C ATOM 689 O SER A 51 -6.560 -7.984 -0.464 1.00 0.00 O ATOM 690 CB SER A 51 -8.109 -7.251 2.172 1.00 0.00 C ATOM 691 OG SER A 51 -8.352 -7.508 3.544 1.00 0.00 O ATOM 0 H SER A 51 -6.557 -5.778 3.206 1.00 0.00 H new ATOM 0 HA SER A 51 -6.241 -8.342 2.070 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.479 -6.259 1.914 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.661 -7.966 1.562 1.00 0.00 H new ATOM 0 HG SER A 51 -8.081 -6.731 4.075 1.00 0.00 H new ATOM 697 N THR A 52 -5.973 -5.869 0.032 1.00 0.00 N ATOM 698 CA THR A 52 -5.711 -5.493 -1.356 1.00 0.00 C ATOM 699 C THR A 52 -4.470 -6.191 -1.900 1.00 0.00 C ATOM 700 O THR A 52 -4.441 -6.615 -3.057 1.00 0.00 O ATOM 701 CB THR A 52 -5.526 -3.968 -1.493 1.00 0.00 C ATOM 702 OG1 THR A 52 -6.745 -3.295 -1.159 1.00 0.00 O ATOM 703 CG2 THR A 52 -5.097 -3.588 -2.905 1.00 0.00 C ATOM 0 H THR A 52 -5.817 -5.120 0.707 1.00 0.00 H new ATOM 0 HA THR A 52 -6.579 -5.808 -1.935 1.00 0.00 H new ATOM 0 HB THR A 52 -4.740 -3.661 -0.804 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.019 -3.545 -0.252 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.975 -2.507 -2.970 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.151 -4.075 -3.141 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.858 -3.910 -3.616 1.00 0.00 H new ATOM 711 N CYS A 53 -3.449 -6.308 -1.062 1.00 0.00 N ATOM 712 CA CYS A 53 -2.200 -6.943 -1.468 1.00 0.00 C ATOM 713 C CYS A 53 -2.233 -8.449 -1.247 1.00 0.00 C ATOM 714 O CYS A 53 -1.637 -9.205 -2.011 1.00 0.00 O ATOM 715 CB CYS A 53 -1.015 -6.335 -0.718 1.00 0.00 C ATOM 716 SG CYS A 53 -0.295 -4.883 -1.542 1.00 0.00 S ATOM 0 H CYS A 53 -3.460 -5.973 -0.099 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.080 -6.761 -2.536 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.338 -6.050 0.283 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.243 -7.095 -0.600 1.00 0.00 H new ATOM 721 N ALA A 54 -2.943 -8.882 -0.214 1.00 0.00 N ATOM 722 CA ALA A 54 -3.041 -10.299 0.098 1.00 0.00 C ATOM 723 C ALA A 54 -3.856 -11.002 -0.970 1.00 0.00 C ATOM 724 O ALA A 54 -3.795 -12.221 -1.132 1.00 0.00 O ATOM 725 CB ALA A 54 -3.669 -10.491 1.467 1.00 0.00 C ATOM 0 H ALA A 54 -3.459 -8.272 0.421 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.042 -10.734 0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.737 -11.556 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.054 -10.001 2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.668 -10.054 1.474 1.00 0.00 H new ATOM 731 N ALA A 55 -4.620 -10.199 -1.691 1.00 0.00 N ATOM 732 CA ALA A 55 -5.481 -10.677 -2.752 1.00 0.00 C ATOM 733 C ALA A 55 -4.693 -11.244 -3.932 1.00 0.00 C ATOM 734 O ALA A 55 -5.089 -12.249 -4.521 1.00 0.00 O ATOM 735 CB ALA A 55 -6.366 -9.538 -3.208 1.00 0.00 C ATOM 0 H ALA A 55 -4.658 -9.189 -1.553 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.085 -11.495 -2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.021 -9.884 -4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.970 -9.189 -2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.746 -8.720 -3.575 1.00 0.00 H new ATOM 741 N ILE A 56 -3.580 -10.599 -4.275 1.00 0.00 N ATOM 742 CA ILE A 56 -2.767 -11.040 -5.408 1.00 0.00 C ATOM 743 C ILE A 56 -1.469 -11.732 -4.983 1.00 0.00 C ATOM 744 O ILE A 56 -0.660 -12.105 -5.834 1.00 0.00 O ATOM 745 CB ILE A 56 -2.435 -9.867 -6.352 1.00 0.00 C ATOM 746 CG1 ILE A 56 -2.011 -8.632 -5.549 1.00 0.00 C ATOM 747 CG2 ILE A 56 -3.635 -9.555 -7.237 1.00 0.00 C ATOM 748 CD1 ILE A 56 -1.697 -7.422 -6.407 1.00 0.00 C ATOM 0 H ILE A 56 -3.222 -9.776 -3.790 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.376 -11.773 -5.937 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.600 -10.154 -6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.807 -8.374 -4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.133 -8.881 -4.954 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.392 -8.725 -7.901 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.887 -10.433 -7.831 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.486 -9.283 -6.613 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.405 -6.589 -5.768 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.880 -7.661 -7.088 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.580 -7.145 -6.983 1.00 0.00 H new ATOM 760 N GLY A 57 -1.265 -11.905 -3.679 1.00 0.00 N ATOM 761 CA GLY A 57 -0.061 -12.580 -3.209 1.00 0.00 C ATOM 762 C GLY A 57 1.047 -11.629 -2.776 1.00 0.00 C ATOM 763 O GLY A 57 2.215 -11.855 -3.092 1.00 0.00 O ATOM 0 H GLY A 57 -1.902 -11.595 -2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.321 -13.226 -2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.316 -13.225 -4.003 1.00 0.00 H new ATOM 767 N GLN A 58 0.688 -10.571 -2.053 1.00 0.00 N ATOM 768 CA GLN A 58 1.670 -9.600 -1.573 1.00 0.00 C ATOM 769 C GLN A 58 1.197 -8.950 -0.276 1.00 0.00 C ATOM 770 O GLN A 58 0.167 -9.333 0.279 1.00 0.00 O ATOM 771 CB GLN A 58 1.934 -8.524 -2.632 1.00 0.00 C ATOM 772 CG GLN A 58 2.940 -8.951 -3.699 1.00 0.00 C ATOM 773 CD GLN A 58 3.179 -7.874 -4.738 1.00 0.00 C ATOM 774 OE1 GLN A 58 4.072 -7.041 -4.590 1.00 0.00 O ATOM 775 NE2 GLN A 58 2.379 -7.883 -5.796 1.00 0.00 N ATOM 0 H GLN A 58 -0.274 -10.364 -1.786 1.00 0.00 H new ATOM 0 HA GLN A 58 2.600 -10.133 -1.378 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.993 -8.263 -3.116 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.300 -7.623 -2.139 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.886 -9.205 -3.220 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.580 -9.853 -4.193 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.651 -8.592 -5.879 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.492 -7.180 -6.527 1.00 0.00 H new ATOM 784 N ARG A 59 1.954 -7.966 0.201 1.00 0.00 N ATOM 785 CA ARG A 59 1.605 -7.266 1.437 1.00 0.00 C ATOM 786 C ARG A 59 1.531 -5.758 1.204 1.00 0.00 C ATOM 787 O ARG A 59 2.182 -5.228 0.303 1.00 0.00 O ATOM 788 CB ARG A 59 2.627 -7.573 2.540 1.00 0.00 C ATOM 789 CG ARG A 59 3.152 -9.006 2.534 1.00 0.00 C ATOM 790 CD ARG A 59 4.135 -9.241 3.669 1.00 0.00 C ATOM 791 NE ARG A 59 3.554 -8.925 4.971 1.00 0.00 N ATOM 792 CZ ARG A 59 4.270 -8.561 6.030 1.00 0.00 C ATOM 793 NH1 ARG A 59 5.592 -8.470 5.942 1.00 0.00 N ATOM 794 NH2 ARG A 59 3.667 -8.287 7.178 1.00 0.00 N ATOM 0 H ARG A 59 2.809 -7.635 -0.246 1.00 0.00 H new ATOM 0 HA ARG A 59 0.625 -7.619 1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.470 -6.890 2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.169 -7.371 3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.317 -9.701 2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.638 -9.213 1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.458 -10.282 3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.024 -8.630 3.511 1.00 0.00 H new ATOM 0 HE ARG A 59 2.541 -8.987 5.074 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.060 -8.680 5.060 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.139 -8.190 6.756 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.652 -8.355 7.250 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.218 -8.008 7.990 1.00 0.00 H new ATOM 808 N ALA A 60 0.736 -5.073 2.026 1.00 0.00 N ATOM 809 CA ALA A 60 0.570 -3.630 1.902 1.00 0.00 C ATOM 810 C ALA A 60 1.858 -2.900 2.257 1.00 0.00 C ATOM 811 O ALA A 60 2.346 -2.998 3.384 1.00 0.00 O ATOM 812 CB ALA A 60 -0.573 -3.161 2.791 1.00 0.00 C ATOM 0 H ALA A 60 0.199 -5.496 2.783 1.00 0.00 H new ATOM 0 HA ALA A 60 0.330 -3.397 0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.691 -2.082 2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.496 -3.656 2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.352 -3.409 3.829 1.00 0.00 H new ATOM 818 N ARG A 61 2.406 -2.163 1.293 1.00 0.00 N ATOM 819 CA ARG A 61 3.640 -1.418 1.515 1.00 0.00 C ATOM 820 C ARG A 61 3.483 0.025 1.053 1.00 0.00 C ATOM 821 O ARG A 61 3.145 0.285 -0.102 1.00 0.00 O ATOM 822 CB ARG A 61 4.815 -2.077 0.783 1.00 0.00 C ATOM 823 CG ARG A 61 4.994 -3.551 1.114 1.00 0.00 C ATOM 824 CD ARG A 61 5.413 -3.753 2.562 1.00 0.00 C ATOM 825 NE ARG A 61 6.681 -3.093 2.861 1.00 0.00 N ATOM 826 CZ ARG A 61 7.521 -3.501 3.807 1.00 0.00 C ATOM 827 NH1 ARG A 61 7.233 -4.571 4.538 1.00 0.00 N ATOM 828 NH2 ARG A 61 8.652 -2.844 4.021 1.00 0.00 N ATOM 0 H ARG A 61 2.016 -2.067 0.355 1.00 0.00 H new ATOM 0 HA ARG A 61 3.850 -1.426 2.585 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.667 -1.971 -0.292 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.732 -1.544 1.033 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.061 -4.082 0.927 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.745 -3.984 0.453 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.637 -3.364 3.222 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.502 -4.820 2.768 1.00 0.00 H new ATOM 0 HE ARG A 61 6.937 -2.272 2.313 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.366 -5.082 4.374 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.879 -4.882 5.263 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.879 -2.024 3.459 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.295 -3.159 4.747 1.00 0.00 H new ATOM 842 N CYS A 62 3.731 0.959 1.963 1.00 0.00 N ATOM 843 CA CYS A 62 3.618 2.379 1.648 1.00 0.00 C ATOM 844 C CYS A 62 4.997 2.929 1.290 1.00 0.00 C ATOM 845 O CYS A 62 5.853 3.085 2.160 1.00 0.00 O ATOM 846 CB CYS A 62 3.022 3.150 2.833 1.00 0.00 C ATOM 847 SG CYS A 62 2.158 4.684 2.371 1.00 0.00 S ATOM 0 H CYS A 62 4.011 0.760 2.923 1.00 0.00 H new ATOM 0 HA CYS A 62 2.949 2.504 0.796 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.325 2.499 3.361 1.00 0.00 H new ATOM 0 HB3 CYS A 62 3.822 3.394 3.532 1.00 0.00 H new ATOM 852 N CYS A 63 5.211 3.215 0.007 1.00 0.00 N ATOM 853 CA CYS A 63 6.504 3.713 -0.455 1.00 0.00 C ATOM 854 C CYS A 63 6.476 5.202 -0.784 1.00 0.00 C ATOM 855 O CYS A 63 5.447 5.757 -1.170 1.00 0.00 O ATOM 856 CB CYS A 63 6.974 2.923 -1.680 1.00 0.00 C ATOM 857 SG CYS A 63 7.579 1.250 -1.290 1.00 0.00 S ATOM 0 H CYS A 63 4.510 3.111 -0.727 1.00 0.00 H new ATOM 0 HA CYS A 63 7.206 3.572 0.367 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.149 2.845 -2.388 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.769 3.480 -2.176 1.00 0.00 H new ATOM 862 N VAL A 64 7.635 5.831 -0.620 1.00 0.00 N ATOM 863 CA VAL A 64 7.814 7.250 -0.890 1.00 0.00 C ATOM 864 C VAL A 64 8.585 7.453 -2.192 1.00 0.00 C ATOM 865 O VAL A 64 9.405 6.620 -2.576 1.00 0.00 O ATOM 866 CB VAL A 64 8.547 7.933 0.295 1.00 0.00 C ATOM 867 CG1 VAL A 64 9.412 6.943 1.038 1.00 0.00 C ATOM 868 CG2 VAL A 64 9.384 9.114 -0.153 1.00 0.00 C ATOM 0 H VAL A 64 8.482 5.365 -0.293 1.00 0.00 H new ATOM 0 HA VAL A 64 6.833 7.711 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 64 7.774 8.307 0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.915 7.447 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.790 6.138 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.157 6.529 0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.877 9.559 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.136 8.777 -0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.742 9.857 -0.626 1.00 0.00 H new ATOM 878 N LEU A 65 8.309 8.568 -2.864 1.00 0.00 N ATOM 879 CA LEU A 65 8.956 8.890 -4.131 1.00 0.00 C ATOM 880 C LEU A 65 10.481 8.761 -4.022 1.00 0.00 C ATOM 881 O LEU A 65 11.102 9.410 -3.181 1.00 0.00 O ATOM 882 CB LEU A 65 8.555 10.310 -4.556 1.00 0.00 C ATOM 883 CG LEU A 65 9.626 11.108 -5.284 1.00 0.00 C ATOM 884 CD1 LEU A 65 9.983 10.466 -6.618 1.00 0.00 C ATOM 885 CD2 LEU A 65 9.136 12.515 -5.489 1.00 0.00 C ATOM 0 H LEU A 65 7.637 9.267 -2.549 1.00 0.00 H new ATOM 0 HA LEU A 65 8.625 8.181 -4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.678 10.243 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.256 10.865 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 65 10.531 11.120 -4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.751 11.060 -7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.359 9.457 -6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.095 10.421 -7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.899 13.094 -6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.223 12.499 -6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.931 12.974 -4.522 1.00 0.00 H new ATOM 897 N PRO A 66 11.106 7.915 -4.877 1.00 0.00 N ATOM 898 CA PRO A 66 12.562 7.708 -4.860 1.00 0.00 C ATOM 899 C PRO A 66 13.335 8.964 -5.248 1.00 0.00 C ATOM 900 O PRO A 66 12.948 9.685 -6.166 1.00 0.00 O ATOM 901 CB PRO A 66 12.790 6.603 -5.903 1.00 0.00 C ATOM 902 CG PRO A 66 11.450 5.981 -6.111 1.00 0.00 C ATOM 903 CD PRO A 66 10.460 7.089 -5.918 1.00 0.00 C ATOM 0 HA PRO A 66 12.916 7.449 -3.862 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.182 7.014 -6.833 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.514 5.870 -5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.368 5.551 -7.109 1.00 0.00 H new ATOM 0 HG3 PRO A 66 11.278 5.173 -5.400 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.295 7.651 -6.837 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.489 6.714 -5.594 1.00 0.00 H new ATOM 911 N ILE A 67 14.436 9.211 -4.544 1.00 0.00 N ATOM 912 CA ILE A 67 15.275 10.371 -4.805 1.00 0.00 C ATOM 913 C ILE A 67 16.739 9.959 -4.904 1.00 0.00 C ATOM 914 O ILE A 67 17.339 9.535 -3.918 1.00 0.00 O ATOM 915 CB ILE A 67 15.126 11.439 -3.704 1.00 0.00 C ATOM 916 CG1 ILE A 67 13.660 11.858 -3.546 1.00 0.00 C ATOM 917 CG2 ILE A 67 16.000 12.647 -4.011 1.00 0.00 C ATOM 918 CD1 ILE A 67 13.060 12.467 -4.795 1.00 0.00 C ATOM 0 H ILE A 67 14.768 8.617 -3.784 1.00 0.00 H new ATOM 0 HA ILE A 67 14.947 10.799 -5.752 1.00 0.00 H new ATOM 0 HB ILE A 67 15.457 11.005 -2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 67 13.072 10.986 -3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.583 12.576 -2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 67 15.882 13.391 -3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 67 17.044 12.337 -4.064 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.701 13.079 -4.966 1.00 0.00 H new ATOM 0 HD11 ILE A 67 12.021 12.738 -4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 67 13.623 13.359 -5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.103 11.744 -5.609 1.00 0.00 H new ATOM 930 N LEU A 68 17.301 10.079 -6.101 1.00 0.00 N ATOM 931 CA LEU A 68 18.698 9.720 -6.336 1.00 0.00 C ATOM 932 C LEU A 68 19.599 10.309 -5.252 1.00 0.00 C ATOM 933 O LEU A 68 19.816 11.520 -5.206 1.00 0.00 O ATOM 934 CB LEU A 68 19.152 10.218 -7.718 1.00 0.00 C ATOM 935 CG LEU A 68 18.725 9.375 -8.930 1.00 0.00 C ATOM 936 CD1 LEU A 68 19.765 8.308 -9.237 1.00 0.00 C ATOM 937 CD2 LEU A 68 17.367 8.737 -8.704 1.00 0.00 C ATOM 0 H LEU A 68 16.811 10.423 -6.927 1.00 0.00 H new ATOM 0 HA LEU A 68 18.779 8.633 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 68 18.772 11.230 -7.857 1.00 0.00 H new ATOM 0 HB3 LEU A 68 20.240 10.284 -7.715 1.00 0.00 H new ATOM 0 HG LEU A 68 18.648 10.043 -9.788 1.00 0.00 H new ATOM 0 HD11 LEU A 68 19.443 7.723 -10.098 1.00 0.00 H new ATOM 0 HD12 LEU A 68 20.720 8.784 -9.459 1.00 0.00 H new ATOM 0 HD13 LEU A 68 19.878 7.651 -8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 68 17.092 8.147 -9.578 1.00 0.00 H new ATOM 0 HD22 LEU A 68 17.410 8.089 -7.828 1.00 0.00 H new ATOM 0 HD23 LEU A 68 16.622 9.516 -8.543 1.00 0.00 H new ATOM 949 N GLY A 69 20.121 9.445 -4.383 1.00 0.00 N ATOM 950 CA GLY A 69 20.988 9.902 -3.310 1.00 0.00 C ATOM 951 C GLY A 69 20.570 9.362 -1.955 1.00 0.00 C ATOM 952 O GLY A 69 21.334 9.427 -0.992 1.00 0.00 O ATOM 0 H GLY A 69 19.959 8.438 -4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 69 22.013 9.595 -3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 69 20.981 10.992 -3.281 1.00 0.00 H new ATOM 956 N GLN A 70 19.353 8.827 -1.881 1.00 0.00 N ATOM 957 CA GLN A 70 18.836 8.274 -0.634 1.00 0.00 C ATOM 958 C GLN A 70 18.294 6.870 -0.837 1.00 0.00 C ATOM 959 O GLN A 70 18.091 6.415 -1.962 1.00 0.00 O ATOM 960 CB GLN A 70 17.731 9.168 -0.064 1.00 0.00 C ATOM 961 CG GLN A 70 16.438 9.131 -0.871 1.00 0.00 C ATOM 962 CD GLN A 70 15.383 10.081 -0.337 1.00 0.00 C ATOM 963 OE1 GLN A 70 14.187 9.802 -0.414 1.00 0.00 O ATOM 964 NE2 GLN A 70 15.819 11.217 0.196 1.00 0.00 N ATOM 0 H GLN A 70 18.709 8.765 -2.669 1.00 0.00 H new ATOM 0 HA GLN A 70 19.665 8.230 0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.519 8.861 0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 70 18.093 10.195 -0.020 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.656 9.384 -1.909 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.041 8.116 -0.867 1.00 0.00 H new ATOM 0 HE21 GLN A 70 16.820 11.409 0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.153 11.898 0.561 1.00 0.00 H new ATOM 973 N ASP A 71 18.067 6.199 0.278 1.00 0.00 N ATOM 974 CA ASP A 71 17.542 4.838 0.271 1.00 0.00 C ATOM 975 C ASP A 71 16.024 4.859 0.119 1.00 0.00 C ATOM 976 O ASP A 71 15.386 5.887 0.345 1.00 0.00 O ATOM 977 CB ASP A 71 17.933 4.115 1.563 1.00 0.00 C ATOM 978 CG ASP A 71 17.451 2.678 1.593 1.00 0.00 C ATOM 979 OD1 ASP A 71 18.178 1.798 1.087 1.00 0.00 O ATOM 980 OD2 ASP A 71 16.347 2.433 2.123 1.00 0.00 O ATOM 0 H ASP A 71 18.239 6.576 1.210 1.00 0.00 H new ATOM 0 HA ASP A 71 17.971 4.302 -0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.017 4.133 1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.518 4.652 2.416 1.00 0.00 H new ATOM 985 N ILE A 72 15.449 3.723 -0.266 1.00 0.00 N ATOM 986 CA ILE A 72 14.007 3.629 -0.443 1.00 0.00 C ATOM 987 C ILE A 72 13.307 3.364 0.891 1.00 0.00 C ATOM 988 O ILE A 72 13.587 2.377 1.572 1.00 0.00 O ATOM 989 CB ILE A 72 13.628 2.535 -1.477 1.00 0.00 C ATOM 990 CG1 ILE A 72 12.146 2.644 -1.842 1.00 0.00 C ATOM 991 CG2 ILE A 72 13.948 1.137 -0.955 1.00 0.00 C ATOM 992 CD1 ILE A 72 11.720 1.701 -2.948 1.00 0.00 C ATOM 0 H ILE A 72 15.958 2.861 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 72 13.666 4.589 -0.830 1.00 0.00 H new ATOM 0 HB ILE A 72 14.227 2.698 -2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.547 2.443 -0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 72 11.930 3.668 -2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.670 0.396 -1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 72 15.016 1.061 -0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.387 0.954 -0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 72 10.658 1.835 -3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.293 1.916 -3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.903 0.672 -2.639 1.00 0.00 H new ATOM 1004 N LEU A 73 12.408 4.271 1.271 1.00 0.00 N ATOM 1005 CA LEU A 73 11.675 4.145 2.525 1.00 0.00 C ATOM 1006 C LEU A 73 10.320 3.477 2.301 1.00 0.00 C ATOM 1007 O LEU A 73 9.406 4.075 1.734 1.00 0.00 O ATOM 1008 CB LEU A 73 11.493 5.525 3.178 1.00 0.00 C ATOM 1009 CG LEU A 73 12.738 6.090 3.876 1.00 0.00 C ATOM 1010 CD1 LEU A 73 13.258 5.118 4.926 1.00 0.00 C ATOM 1011 CD2 LEU A 73 13.825 6.408 2.860 1.00 0.00 C ATOM 0 H LEU A 73 12.171 5.100 0.727 1.00 0.00 H new ATOM 0 HA LEU A 73 12.256 3.514 3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.174 6.232 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.686 5.460 3.908 1.00 0.00 H new ATOM 0 HG LEU A 73 12.454 7.015 4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.140 5.540 5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.485 4.943 5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.521 4.174 4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.699 6.807 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 73 14.102 5.499 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.454 7.146 2.149 1.00 0.00 H new ATOM 1023 N CYS A 74 10.198 2.229 2.748 1.00 0.00 N ATOM 1024 CA CYS A 74 8.955 1.478 2.595 1.00 0.00 C ATOM 1025 C CYS A 74 8.711 0.567 3.797 1.00 0.00 C ATOM 1026 O CYS A 74 9.600 -0.179 4.207 1.00 0.00 O ATOM 1027 CB CYS A 74 8.998 0.636 1.319 1.00 0.00 C ATOM 1028 SG CYS A 74 9.258 1.597 -0.205 1.00 0.00 S ATOM 0 H CYS A 74 10.944 1.717 3.219 1.00 0.00 H new ATOM 0 HA CYS A 74 8.138 2.196 2.530 1.00 0.00 H new ATOM 0 HB2 CYS A 74 9.796 -0.101 1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.063 0.083 1.231 1.00 0.00 H new ATOM 1033 N GLN A 75 7.506 0.629 4.362 1.00 0.00 N ATOM 1034 CA GLN A 75 7.160 -0.206 5.508 1.00 0.00 C ATOM 1035 C GLN A 75 5.646 -0.317 5.662 1.00 0.00 C ATOM 1036 O GLN A 75 4.894 0.490 5.114 1.00 0.00 O ATOM 1037 CB GLN A 75 7.781 0.353 6.790 1.00 0.00 C ATOM 1038 CG GLN A 75 7.171 1.672 7.246 1.00 0.00 C ATOM 1039 CD GLN A 75 7.707 2.125 8.590 1.00 0.00 C ATOM 1040 OE1 GLN A 75 8.705 2.843 8.663 1.00 0.00 O ATOM 1041 NE2 GLN A 75 7.047 1.705 9.662 1.00 0.00 N ATOM 0 H GLN A 75 6.758 1.246 4.046 1.00 0.00 H new ATOM 0 HA GLN A 75 7.563 -1.203 5.331 1.00 0.00 H new ATOM 0 HB2 GLN A 75 7.670 -0.382 7.587 1.00 0.00 H new ATOM 0 HB3 GLN A 75 8.850 0.493 6.633 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.374 2.440 6.500 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.088 1.566 7.307 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.225 1.111 9.554 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.362 1.976 10.593 1.00 0.00 H new ATOM 1050 N THR A 76 5.206 -1.323 6.413 1.00 0.00 N ATOM 1051 CA THR A 76 3.784 -1.546 6.638 1.00 0.00 C ATOM 1052 C THR A 76 3.274 -0.714 7.817 1.00 0.00 C ATOM 1053 O THR A 76 3.920 -0.659 8.865 1.00 0.00 O ATOM 1054 CB THR A 76 3.493 -3.035 6.902 1.00 0.00 C ATOM 1055 OG1 THR A 76 3.928 -3.824 5.789 1.00 0.00 O ATOM 1056 CG2 THR A 76 2.009 -3.265 7.141 1.00 0.00 C ATOM 0 H THR A 76 5.816 -1.997 6.876 1.00 0.00 H new ATOM 0 HA THR A 76 3.262 -1.235 5.733 1.00 0.00 H new ATOM 0 HB THR A 76 4.039 -3.334 7.797 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.410 -3.581 4.993 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.830 -4.324 7.325 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.686 -2.687 8.007 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.446 -2.949 6.263 1.00 0.00 H new ATOM 1064 N PRO A 77 2.105 -0.058 7.666 1.00 0.00 N ATOM 1065 CA PRO A 77 1.522 0.770 8.719 1.00 0.00 C ATOM 1066 C PRO A 77 0.671 -0.036 9.697 1.00 0.00 C ATOM 1067 O PRO A 77 -0.025 -0.972 9.303 1.00 0.00 O ATOM 1068 CB PRO A 77 0.653 1.744 7.928 1.00 0.00 C ATOM 1069 CG PRO A 77 0.191 0.961 6.745 1.00 0.00 C ATOM 1070 CD PRO A 77 1.259 -0.067 6.456 1.00 0.00 C ATOM 0 HA PRO A 77 2.280 1.245 9.342 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.189 2.097 8.523 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.220 2.624 7.624 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.764 0.478 6.951 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.040 1.613 5.885 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.827 -1.052 6.279 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.833 0.194 5.567 1.00 0.00 H new ATOM 1078 N ALA A 78 0.745 0.333 10.976 1.00 0.00 N ATOM 1079 CA ALA A 78 -0.018 -0.337 12.028 1.00 0.00 C ATOM 1080 C ALA A 78 0.422 -1.787 12.213 1.00 0.00 C ATOM 1081 O ALA A 78 -0.135 -2.509 13.039 1.00 0.00 O ATOM 1082 CB ALA A 78 -1.509 -0.269 11.731 1.00 0.00 C ATOM 0 H ALA A 78 1.331 1.099 11.310 1.00 0.00 H new ATOM 0 HA ALA A 78 0.182 0.189 12.962 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.061 -0.773 12.524 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.822 0.774 11.676 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.713 -0.759 10.779 1.00 0.00 H new ATOM 1088 N GLY A 79 1.421 -2.209 11.443 1.00 0.00 N ATOM 1089 CA GLY A 79 1.914 -3.565 11.547 1.00 0.00 C ATOM 1090 C GLY A 79 0.935 -4.579 10.994 1.00 0.00 C ATOM 1091 O GLY A 79 0.802 -5.679 11.533 1.00 0.00 O ATOM 0 H GLY A 79 1.896 -1.633 10.749 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.860 -3.647 11.011 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.119 -3.795 12.593 1.00 0.00 H new ATOM 1095 N LEU A 80 0.248 -4.206 9.921 1.00 0.00 N ATOM 1096 CA LEU A 80 -0.725 -5.087 9.284 1.00 0.00 C ATOM 1097 C LEU A 80 -0.100 -6.437 8.943 1.00 0.00 C ATOM 1098 O LEU A 80 -0.258 -7.381 9.745 1.00 0.00 O ATOM 1099 CB LEU A 80 -1.281 -4.438 8.019 1.00 0.00 C ATOM 1100 CG LEU A 80 -2.221 -3.258 8.254 1.00 0.00 C ATOM 1101 CD1 LEU A 80 -2.377 -2.445 6.985 1.00 0.00 C ATOM 1102 CD2 LEU A 80 -3.571 -3.758 8.738 1.00 0.00 C ATOM 1103 OXT LEU A 80 0.545 -6.539 7.878 1.00 0.00 O ATOM 0 H LEU A 80 0.347 -3.296 9.472 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.540 -5.252 9.988 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.446 -4.100 7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.812 -5.196 7.444 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.792 -2.613 9.021 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.050 -1.608 7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.404 -2.066 6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.790 -3.075 6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.235 -2.910 8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.005 -4.418 7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.443 -4.306 9.672 1.00 0.00 H new TER 1115 LEU A 80