USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 484 hydrogens (42 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 NoAdj-H: A 9 DPR H : A 9 DPR N : A 8 VAL C :(H bumps) USER MOD NoAdj-H: A 17 DPR H : A 17 DPR N : A 16 THR C :(H bumps) USER MOD NoAdj-H: A 27 DPR H : A 27 DPR N : A 26 LEU C :(H bumps) USER MOD NoAdj-H: B 9 DPR H : B 9 DPR N : B 8 VAL C :(H bumps) USER MOD NoAdj-H: B 17 DPR H : B 17 DPR N : B 16 THR C :(H bumps) USER MOD NoAdj-H: B 27 DPR H : B 27 DPR N : B 26 LEU C :(H bumps) USER MOD Set 1.1: B 7 THR OG1 : rot -136:sc= -1.07 USER MOD Set 1.2: B 12 THR OG1 : rot 180:sc= 0.266 USER MOD Set 2.1: A 15 ASN : amide:sc= 0.419 K(o=0.87,f=-0.27) USER MOD Set 2.2: A 20 GLN : amide:sc= 0.454 K(o=0.87,f=-0.27) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ -105:sc= 0.107 (180deg=-0.0293) USER MOD Single : A 4 CYS SG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -0.923 K(o=-0.92,f=-4.7!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 ARG N :NH3+ 131:sc= 0.0693 (180deg=-0.0219) USER MOD Single : B 4 CYS SG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 ASN : amide:sc= -0.288 K(o=-0.29,f=-2.5!) USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= 0.0193 K(o=0.019,f=-2.4!) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HE2:sc= -2.5! C(o=-2.5!,f=-5.1!) USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 19.915 15.771 -32.645 1.00 0.00 N ATOM 2 CA ARG A 1 19.788 14.513 -33.359 1.00 0.00 C ATOM 3 C ARG A 1 20.716 13.460 -32.748 1.00 0.00 C ATOM 4 O ARG A 1 21.635 13.795 -32.004 1.00 0.00 O ATOM 5 CB ARG A 1 20.129 14.683 -34.841 1.00 0.00 C ATOM 6 CG ARG A 1 21.597 15.075 -35.026 1.00 0.00 C ATOM 7 CD ARG A 1 21.720 16.500 -35.568 1.00 0.00 C ATOM 8 NE ARG A 1 22.711 16.540 -36.665 1.00 0.00 N ATOM 9 CZ ARG A 1 22.856 17.577 -37.518 1.00 0.00 C ATOM 10 NH1 ARG A 1 22.072 18.671 -37.404 1.00 0.00 N ATOM 11 NH2 ARG A 1 23.775 17.506 -38.463 1.00 0.00 N ATOM 0 H1 ARG A 1 19.083 15.911 -32.037 1.00 0.00 H new ATOM 0 H2 ARG A 1 20.773 15.752 -32.058 1.00 0.00 H new ATOM 0 H3 ARG A 1 19.980 16.553 -33.328 1.00 0.00 H new ATOM 0 HA ARG A 1 18.752 14.186 -33.271 1.00 0.00 H new ATOM 0 HB2 ARG A 1 19.928 13.753 -35.373 1.00 0.00 H new ATOM 0 HB3 ARG A 1 19.487 15.447 -35.280 1.00 0.00 H new ATOM 0 HG2 ARG A 1 22.120 14.998 -34.073 1.00 0.00 H new ATOM 0 HG3 ARG A 1 22.079 14.378 -35.712 1.00 0.00 H new ATOM 0 HD2 ARG A 1 20.751 16.845 -35.929 1.00 0.00 H new ATOM 0 HD3 ARG A 1 22.022 17.177 -34.769 1.00 0.00 H new ATOM 0 HE ARG A 1 23.324 15.733 -36.785 1.00 0.00 H new ATOM 0 HH11 ARG A 1 21.365 18.718 -36.670 1.00 0.00 H new ATOM 0 HH12 ARG A 1 22.187 19.451 -38.052 1.00 0.00 H new ATOM 0 HH21 ARG A 1 24.363 16.676 -38.541 1.00 0.00 H new ATOM 0 HH22 ARG A 1 23.897 18.281 -39.115 1.00 0.00 H new ATOM 21 N GLY A 2 20.441 12.209 -33.086 1.00 0.00 N ATOM 22 CA GLY A 2 21.239 11.104 -32.579 1.00 0.00 C ATOM 23 C GLY A 2 21.353 11.165 -31.055 1.00 0.00 C ATOM 24 O GLY A 2 22.111 11.971 -30.516 1.00 0.00 O ATOM 0 H GLY A 2 19.677 11.935 -33.704 1.00 0.00 H new ATOM 0 HA2 GLY A 2 20.787 10.158 -32.876 1.00 0.00 H new ATOM 0 HA3 GLY A 2 22.234 11.135 -33.023 1.00 0.00 H new ATOM 28 N GLU A 3 20.590 10.300 -30.401 1.00 0.00 N ATOM 29 CA GLU A 3 20.596 10.245 -28.949 1.00 0.00 C ATOM 30 C GLU A 3 21.096 8.880 -28.474 1.00 0.00 C ATOM 31 O GLU A 3 21.315 7.978 -29.280 1.00 0.00 O ATOM 32 CB GLU A 3 19.207 10.549 -28.384 1.00 0.00 C ATOM 33 CG GLU A 3 19.109 12.004 -27.922 1.00 0.00 C ATOM 34 CD GLU A 3 19.925 12.231 -26.648 1.00 0.00 C ATOM 35 OE1 GLU A 3 20.859 11.466 -26.365 1.00 0.00 O ATOM 36 OE2 GLU A 3 19.559 13.245 -25.940 1.00 0.00 O ATOM 0 H GLU A 3 19.964 9.632 -30.850 1.00 0.00 H new ATOM 0 HA GLU A 3 21.278 11.010 -28.577 1.00 0.00 H new ATOM 0 HB2 GLU A 3 18.451 10.353 -29.144 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.997 9.883 -27.547 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.468 12.665 -28.711 1.00 0.00 H new ATOM 0 HG3 GLU A 3 18.066 12.262 -27.741 1.00 0.00 H new ATOM 42 N CYS A 4 21.263 8.772 -27.164 1.00 0.00 N ATOM 43 CA CYS A 4 21.733 7.531 -26.569 1.00 0.00 C ATOM 44 C CYS A 4 20.741 7.114 -25.481 1.00 0.00 C ATOM 45 O CYS A 4 19.758 7.809 -25.232 1.00 0.00 O ATOM 46 CB CYS A 4 23.155 7.670 -26.023 1.00 0.00 C ATOM 47 SG CYS A 4 24.225 6.362 -26.722 1.00 0.00 S ATOM 0 H CYS A 4 21.082 9.523 -26.498 1.00 0.00 H new ATOM 0 HA CYS A 4 21.781 6.754 -27.332 1.00 0.00 H new ATOM 0 HB2 CYS A 4 23.556 8.652 -26.275 1.00 0.00 H new ATOM 0 HB3 CYS A 4 23.144 7.600 -24.935 1.00 0.00 H new ATOM 0 HG CYS A 4 25.431 6.491 -26.253 1.00 0.00 H new ATOM 52 N LYS A 5 21.034 5.980 -24.863 1.00 0.00 N ATOM 53 CA LYS A 5 20.181 5.461 -23.807 1.00 0.00 C ATOM 54 C LYS A 5 20.878 5.644 -22.457 1.00 0.00 C ATOM 55 O LYS A 5 22.083 5.428 -22.342 1.00 0.00 O ATOM 56 CB LYS A 5 19.783 4.014 -24.102 1.00 0.00 C ATOM 57 CG LYS A 5 18.846 3.939 -25.310 1.00 0.00 C ATOM 58 CD LYS A 5 19.626 3.656 -26.594 1.00 0.00 C ATOM 59 CE LYS A 5 19.981 2.172 -26.704 1.00 0.00 C ATOM 60 NZ LYS A 5 19.703 1.672 -28.069 1.00 0.00 N ATOM 0 H LYS A 5 21.850 5.406 -25.073 1.00 0.00 H new ATOM 0 HA LYS A 5 19.247 6.021 -23.762 1.00 0.00 H new ATOM 0 HB2 LYS A 5 20.676 3.419 -24.292 1.00 0.00 H new ATOM 0 HB3 LYS A 5 19.293 3.583 -23.229 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.105 3.156 -25.151 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.302 4.878 -25.411 1.00 0.00 H new ATOM 0 HD2 LYS A 5 19.033 3.957 -27.458 1.00 0.00 H new ATOM 0 HD3 LYS A 5 20.537 4.254 -26.609 1.00 0.00 H new ATOM 0 HE2 LYS A 5 21.034 2.025 -26.464 1.00 0.00 H new ATOM 0 HE3 LYS A 5 19.406 1.600 -25.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 19.950 0.663 -28.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.693 1.794 -28.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.271 2.207 -28.757 1.00 0.00 H new ATOM 69 N PHE A 6 20.090 6.038 -21.469 1.00 0.00 N ATOM 70 CA PHE A 6 20.616 6.252 -20.131 1.00 0.00 C ATOM 71 C PHE A 6 19.974 5.290 -19.128 1.00 0.00 C ATOM 72 O PHE A 6 18.854 4.828 -19.337 1.00 0.00 O ATOM 73 CB PHE A 6 20.267 7.689 -19.737 1.00 0.00 C ATOM 74 CG PHE A 6 21.459 8.647 -19.760 1.00 0.00 C ATOM 75 CD1 PHE A 6 22.127 8.874 -20.924 1.00 0.00 C ATOM 76 CD2 PHE A 6 21.850 9.274 -18.619 1.00 0.00 C ATOM 77 CE1 PHE A 6 23.233 9.763 -20.947 1.00 0.00 C ATOM 78 CE2 PHE A 6 22.957 10.164 -18.641 1.00 0.00 C ATOM 79 CZ PHE A 6 23.625 10.389 -19.805 1.00 0.00 C ATOM 0 H PHE A 6 19.090 6.215 -21.567 1.00 0.00 H new ATOM 0 HA PHE A 6 21.692 6.078 -20.123 1.00 0.00 H new ATOM 0 HB2 PHE A 6 19.499 8.064 -20.414 1.00 0.00 H new ATOM 0 HB3 PHE A 6 19.836 7.686 -18.736 1.00 0.00 H new ATOM 0 HD1 PHE A 6 21.815 8.377 -21.831 1.00 0.00 H new ATOM 0 HD2 PHE A 6 21.319 9.095 -17.696 1.00 0.00 H new ATOM 0 HE1 PHE A 6 23.763 9.942 -21.871 1.00 0.00 H new ATOM 0 HE2 PHE A 6 23.268 10.662 -17.734 1.00 0.00 H new ATOM 0 HZ PHE A 6 24.467 11.065 -19.822 1.00 0.00 H new ATOM 88 N THR A 7 20.711 5.018 -18.062 1.00 0.00 N ATOM 89 CA THR A 7 20.229 4.120 -17.028 1.00 0.00 C ATOM 90 C THR A 7 20.023 4.880 -15.715 1.00 0.00 C ATOM 91 O THR A 7 20.943 5.529 -15.219 1.00 0.00 O ATOM 92 CB THR A 7 21.217 2.959 -16.909 1.00 0.00 C ATOM 93 OG1 THR A 7 21.239 2.386 -18.214 1.00 0.00 O ATOM 94 CG2 THR A 7 20.694 1.832 -16.016 1.00 0.00 C ATOM 0 H THR A 7 21.640 5.404 -17.892 1.00 0.00 H new ATOM 0 HA THR A 7 19.253 3.709 -17.286 1.00 0.00 H new ATOM 0 HB THR A 7 22.162 3.328 -16.511 1.00 0.00 H new ATOM 0 HG1 THR A 7 21.857 1.626 -18.227 1.00 0.00 H new ATOM 0 HG21 THR A 7 21.435 1.034 -15.966 1.00 0.00 H new ATOM 0 HG22 THR A 7 20.509 2.218 -15.014 1.00 0.00 H new ATOM 0 HG23 THR A 7 19.765 1.440 -16.431 1.00 0.00 H new ATOM 102 N VAL A 8 18.812 4.773 -15.190 1.00 0.00 N ATOM 103 CA VAL A 8 18.474 5.443 -13.945 1.00 0.00 C ATOM 104 C VAL A 8 18.078 4.397 -12.901 1.00 0.00 C ATOM 105 O VAL A 8 16.897 4.103 -12.728 1.00 0.00 O ATOM 106 CB VAL A 8 17.384 6.486 -14.190 1.00 0.00 C ATOM 107 CG1 VAL A 8 16.839 7.030 -12.869 1.00 0.00 C ATOM 108 CG2 VAL A 8 17.900 7.619 -15.080 1.00 0.00 C ATOM 0 H VAL A 8 18.052 4.233 -15.603 1.00 0.00 H new ATOM 0 HA VAL A 8 19.337 5.982 -13.555 1.00 0.00 H new ATOM 0 HB VAL A 8 16.563 5.996 -14.714 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.065 7.770 -13.072 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.415 6.212 -12.286 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.648 7.496 -12.306 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.105 8.348 -15.239 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.747 8.105 -14.596 1.00 0.00 H new ATOM 0 HG23 VAL A 8 18.216 7.212 -16.040 1.00 0.00 H new HETATM 118 N DPR A 9 19.116 3.849 -12.213 1.00 0.00 N HETATM 119 CA DPR A 9 18.888 2.842 -11.189 1.00 0.00 C HETATM 120 CB DPR A 9 20.169 2.811 -10.374 1.00 0.00 C HETATM 121 CG DPR A 9 21.233 3.460 -11.246 1.00 0.00 C HETATM 122 CD DPR A 9 20.528 4.172 -12.389 1.00 0.00 C HETATM 123 C DPR A 9 18.545 1.490 -11.817 1.00 0.00 C HETATM 124 O DPR A 9 19.439 0.733 -12.194 1.00 0.00 O HETATM 0 HG3 DPR A 9 21.825 4.166 -10.664 1.00 0.00 H new HETATM 0 HG2 DPR A 9 21.922 2.708 -11.631 1.00 0.00 H new HETATM 0 HD3 DPR A 9 20.895 3.828 -13.356 1.00 0.00 H new HETATM 0 HD2 DPR A 9 20.696 5.248 -12.349 1.00 0.00 H new HETATM 0 HB3 DPR A 9 20.049 3.353 -9.436 1.00 0.00 H new HETATM 0 HB2 DPR A 9 20.444 1.788 -10.118 1.00 0.00 H new HETATM 0 HA DPR A 9 18.034 3.075 -10.553 1.00 0.00 H new ATOM 132 N GLY A 10 17.249 1.228 -11.912 1.00 0.00 N ATOM 133 CA GLY A 10 16.777 -0.019 -12.488 1.00 0.00 C ATOM 134 C GLY A 10 15.841 0.242 -13.669 1.00 0.00 C ATOM 135 O GLY A 10 15.344 -0.696 -14.291 1.00 0.00 O ATOM 0 H GLY A 10 16.511 1.859 -11.599 1.00 0.00 H new ATOM 0 HA2 GLY A 10 17.627 -0.616 -12.818 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.255 -0.600 -11.728 1.00 0.00 H new ATOM 139 N ARG A 11 15.630 1.520 -13.945 1.00 0.00 N ATOM 140 CA ARG A 11 14.762 1.916 -15.041 1.00 0.00 C ATOM 141 C ARG A 11 15.579 2.573 -16.155 1.00 0.00 C ATOM 142 O ARG A 11 16.301 3.539 -15.913 1.00 0.00 O ATOM 143 CB ARG A 11 13.684 2.893 -14.564 1.00 0.00 C ATOM 144 CG ARG A 11 12.344 2.603 -15.242 1.00 0.00 C ATOM 145 CD ARG A 11 11.295 3.647 -14.851 1.00 0.00 C ATOM 146 NE ARG A 11 10.982 3.534 -13.409 1.00 0.00 N ATOM 147 CZ ARG A 11 10.039 4.268 -12.780 1.00 0.00 C ATOM 148 NH1 ARG A 11 9.311 5.176 -13.461 1.00 0.00 N ATOM 149 NH2 ARG A 11 9.844 4.084 -11.487 1.00 0.00 N ATOM 0 H ARG A 11 16.045 2.295 -13.428 1.00 0.00 H new ATOM 0 HA ARG A 11 14.279 1.017 -15.423 1.00 0.00 H new ATOM 0 HB2 ARG A 11 13.572 2.817 -13.482 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.992 3.915 -14.782 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.473 2.599 -16.324 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.997 1.609 -14.959 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.665 4.648 -15.074 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.390 3.503 -15.441 1.00 0.00 H new ATOM 0 HE ARG A 11 11.511 2.860 -12.856 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.471 5.313 -14.459 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.601 5.726 -12.978 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.401 3.396 -10.980 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.136 4.629 -10.995 1.00 0.00 H new ATOM 159 N THR A 12 15.438 2.022 -17.351 1.00 0.00 N ATOM 160 CA THR A 12 16.154 2.542 -18.503 1.00 0.00 C ATOM 161 C THR A 12 15.214 3.361 -19.391 1.00 0.00 C ATOM 162 O THR A 12 14.115 2.913 -19.716 1.00 0.00 O ATOM 163 CB THR A 12 16.802 1.362 -19.231 1.00 0.00 C ATOM 164 OG1 THR A 12 18.039 1.170 -18.549 1.00 0.00 O ATOM 165 CG2 THR A 12 17.214 1.711 -20.663 1.00 0.00 C ATOM 0 H THR A 12 14.838 1.221 -17.547 1.00 0.00 H new ATOM 0 HA THR A 12 16.944 3.229 -18.199 1.00 0.00 H new ATOM 0 HB THR A 12 16.108 0.522 -19.249 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.524 0.422 -18.956 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.668 0.839 -21.134 1.00 0.00 H new ATOM 0 HG22 THR A 12 16.334 2.013 -21.231 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.933 2.530 -20.645 1.00 0.00 H new ATOM 173 N ALA A 13 15.680 4.546 -19.757 1.00 0.00 N ATOM 174 CA ALA A 13 14.896 5.432 -20.601 1.00 0.00 C ATOM 175 C ALA A 13 15.812 6.086 -21.637 1.00 0.00 C ATOM 176 O ALA A 13 17.032 6.077 -21.485 1.00 0.00 O ATOM 177 CB ALA A 13 14.172 6.459 -19.728 1.00 0.00 C ATOM 0 H ALA A 13 16.592 4.914 -19.484 1.00 0.00 H new ATOM 0 HA ALA A 13 14.135 4.872 -21.144 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.584 7.124 -20.360 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.512 5.943 -19.031 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.904 7.043 -19.170 1.00 0.00 H new ATOM 183 N LEU A 14 15.186 6.640 -22.666 1.00 0.00 N ATOM 184 CA LEU A 14 15.930 7.299 -23.726 1.00 0.00 C ATOM 185 C LEU A 14 15.165 8.542 -24.183 1.00 0.00 C ATOM 186 O LEU A 14 13.988 8.704 -23.864 1.00 0.00 O ATOM 187 CB LEU A 14 16.236 6.315 -24.857 1.00 0.00 C ATOM 188 CG LEU A 14 15.051 5.923 -25.744 1.00 0.00 C ATOM 189 CD1 LEU A 14 15.178 6.546 -27.135 1.00 0.00 C ATOM 190 CD2 LEU A 14 14.893 4.402 -25.809 1.00 0.00 C ATOM 0 H LEU A 14 14.173 6.646 -22.788 1.00 0.00 H new ATOM 0 HA LEU A 14 16.899 7.638 -23.358 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.010 6.749 -25.490 1.00 0.00 H new ATOM 0 HB3 LEU A 14 16.653 5.408 -24.420 1.00 0.00 H new ATOM 0 HG LEU A 14 14.142 6.322 -25.294 1.00 0.00 H new ATOM 0 HD11 LEU A 14 14.324 6.252 -27.745 1.00 0.00 H new ATOM 0 HD12 LEU A 14 15.204 7.632 -27.046 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.097 6.199 -27.607 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.044 4.151 -26.445 1.00 0.00 H new ATOM 0 HD22 LEU A 14 15.799 3.959 -26.222 1.00 0.00 H new ATOM 0 HD23 LEU A 14 14.723 4.011 -24.806 1.00 0.00 H new ATOM 201 N ASN A 15 15.864 9.390 -24.924 1.00 0.00 N ATOM 202 CA ASN A 15 15.266 10.613 -25.428 1.00 0.00 C ATOM 203 C ASN A 15 14.933 10.441 -26.911 1.00 0.00 C ATOM 204 O ASN A 15 15.765 9.969 -27.686 1.00 0.00 O ATOM 205 CB ASN A 15 16.228 11.794 -25.293 1.00 0.00 C ATOM 206 CG ASN A 15 15.536 12.998 -24.652 1.00 0.00 C ATOM 207 OD1 ASN A 15 15.820 13.386 -23.531 1.00 0.00 O ATOM 208 ND2 ASN A 15 14.613 13.565 -25.425 1.00 0.00 N ATOM 0 H ASN A 15 16.840 9.253 -25.187 1.00 0.00 H new ATOM 0 HA ASN A 15 14.367 10.812 -24.845 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.087 11.500 -24.689 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.609 12.071 -26.276 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.094 14.376 -25.088 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.425 13.189 -26.354 1.00 0.00 H new ATOM 214 N THR A 16 13.716 10.832 -27.261 1.00 0.00 N ATOM 215 CA THR A 16 13.265 10.726 -28.639 1.00 0.00 C ATOM 216 C THR A 16 12.863 12.102 -29.176 1.00 0.00 C ATOM 217 O THR A 16 11.677 12.418 -29.260 1.00 0.00 O ATOM 218 CB THR A 16 12.131 9.701 -28.686 1.00 0.00 C ATOM 219 OG1 THR A 16 12.795 8.444 -28.579 1.00 0.00 O ATOM 220 CG2 THR A 16 11.449 9.645 -30.055 1.00 0.00 C ATOM 0 H THR A 16 13.029 11.222 -26.616 1.00 0.00 H new ATOM 0 HA THR A 16 14.065 10.378 -29.292 1.00 0.00 H new ATOM 0 HB THR A 16 11.392 9.942 -27.921 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.133 7.722 -28.599 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.652 8.902 -30.034 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.028 10.622 -30.292 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.181 9.371 -30.815 1.00 0.00 H new HETATM 228 N DPR A 17 13.901 12.905 -29.534 1.00 0.00 N HETATM 229 CA DPR A 17 13.668 14.238 -30.060 1.00 0.00 C HETATM 230 CB DPR A 17 14.972 14.628 -30.736 1.00 0.00 C HETATM 231 CG DPR A 17 16.031 13.698 -30.166 1.00 0.00 C HETATM 232 CD DPR A 17 15.318 12.564 -29.448 1.00 0.00 C HETATM 233 C DPR A 17 13.261 15.204 -28.946 1.00 0.00 C HETATM 234 O DPR A 17 14.094 15.611 -28.136 1.00 0.00 O HETATM 0 HG3 DPR A 17 16.664 13.307 -30.962 1.00 0.00 H new HETATM 0 HG2 DPR A 17 16.681 14.237 -29.477 1.00 0.00 H new HETATM 0 HD3 DPR A 17 15.644 12.485 -28.411 1.00 0.00 H new HETATM 0 HD2 DPR A 17 15.524 11.604 -29.921 1.00 0.00 H new HETATM 0 HB3 DPR A 17 14.899 14.520 -31.818 1.00 0.00 H new HETATM 0 HB2 DPR A 17 15.219 15.671 -30.536 1.00 0.00 H new HETATM 0 HA DPR A 17 12.841 14.271 -30.770 1.00 0.00 H new ATOM 242 N ALA A 18 11.980 15.543 -28.938 1.00 0.00 N ATOM 243 CA ALA A 18 11.453 16.454 -27.936 1.00 0.00 C ATOM 244 C ALA A 18 10.623 15.664 -26.922 1.00 0.00 C ATOM 245 O ALA A 18 10.274 16.182 -25.863 1.00 0.00 O ATOM 246 CB ALA A 18 10.641 17.554 -28.623 1.00 0.00 C ATOM 0 H ALA A 18 11.292 15.203 -29.610 1.00 0.00 H new ATOM 0 HA ALA A 18 12.264 16.939 -27.393 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.246 18.237 -27.872 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.283 18.104 -29.312 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.816 17.106 -29.176 1.00 0.00 H new ATOM 252 N VAL A 19 10.332 14.421 -27.282 1.00 0.00 N ATOM 253 CA VAL A 19 9.550 13.555 -26.417 1.00 0.00 C ATOM 254 C VAL A 19 10.488 12.600 -25.677 1.00 0.00 C ATOM 255 O VAL A 19 11.574 12.288 -26.165 1.00 0.00 O ATOM 256 CB VAL A 19 8.479 12.830 -27.232 1.00 0.00 C ATOM 257 CG1 VAL A 19 7.464 13.819 -27.810 1.00 0.00 C ATOM 258 CG2 VAL A 19 9.112 11.986 -28.340 1.00 0.00 C ATOM 0 H VAL A 19 10.624 13.994 -28.161 1.00 0.00 H new ATOM 0 HA VAL A 19 9.023 14.142 -25.664 1.00 0.00 H new ATOM 0 HB VAL A 19 7.946 12.158 -26.560 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.714 13.276 -28.385 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.978 14.358 -26.997 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.976 14.528 -28.460 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.329 11.481 -28.905 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.682 12.631 -29.008 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.776 11.244 -27.897 1.00 0.00 H new ATOM 268 N GLN A 20 10.035 12.160 -24.513 1.00 0.00 N ATOM 269 CA GLN A 20 10.821 11.246 -23.701 1.00 0.00 C ATOM 270 C GLN A 20 10.072 9.925 -23.516 1.00 0.00 C ATOM 271 O GLN A 20 8.849 9.912 -23.392 1.00 0.00 O ATOM 272 CB GLN A 20 11.168 11.873 -22.350 1.00 0.00 C ATOM 273 CG GLN A 20 12.346 12.841 -22.482 1.00 0.00 C ATOM 274 CD GLN A 20 12.806 13.335 -21.108 1.00 0.00 C ATOM 275 OE1 GLN A 20 12.024 13.515 -20.191 1.00 0.00 O ATOM 276 NE2 GLN A 20 14.117 13.544 -21.020 1.00 0.00 N ATOM 0 H GLN A 20 9.134 12.419 -24.112 1.00 0.00 H new ATOM 0 HA GLN A 20 11.757 11.042 -24.220 1.00 0.00 H new ATOM 0 HB2 GLN A 20 10.300 12.402 -21.957 1.00 0.00 H new ATOM 0 HB3 GLN A 20 11.415 11.089 -21.634 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.173 12.346 -22.990 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.056 13.691 -23.100 1.00 0.00 H new ATOM 0 HE21 GLN A 20 14.716 13.373 -21.828 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.523 13.875 -20.145 1.00 0.00 H new ATOM 283 N LYS A 21 10.839 8.844 -23.503 1.00 0.00 N ATOM 284 CA LYS A 21 10.264 7.520 -23.335 1.00 0.00 C ATOM 285 C LYS A 21 11.028 6.772 -22.240 1.00 0.00 C ATOM 286 O LYS A 21 12.259 6.744 -22.246 1.00 0.00 O ATOM 287 CB LYS A 21 10.224 6.780 -24.673 1.00 0.00 C ATOM 288 CG LYS A 21 9.332 5.539 -24.586 1.00 0.00 C ATOM 289 CD LYS A 21 10.094 4.358 -23.982 1.00 0.00 C ATOM 290 CE LYS A 21 9.402 3.033 -24.311 1.00 0.00 C ATOM 291 NZ LYS A 21 10.218 2.244 -25.260 1.00 0.00 N ATOM 0 H LYS A 21 11.854 8.858 -23.606 1.00 0.00 H new ATOM 0 HA LYS A 21 9.227 7.593 -23.007 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.851 7.447 -25.451 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.234 6.487 -24.961 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.454 5.759 -23.978 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.973 5.274 -25.581 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.114 4.345 -24.365 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.161 4.479 -22.901 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.243 2.462 -23.396 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.419 3.226 -24.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.734 1.348 -25.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.348 2.784 -26.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.147 2.044 -24.836 1.00 0.00 H new ATOM 300 N TRP A 22 10.268 6.183 -21.328 1.00 0.00 N ATOM 301 CA TRP A 22 10.859 5.437 -20.231 1.00 0.00 C ATOM 302 C TRP A 22 10.271 4.025 -20.250 1.00 0.00 C ATOM 303 O TRP A 22 9.053 3.854 -20.221 1.00 0.00 O ATOM 304 CB TRP A 22 10.642 6.157 -18.899 1.00 0.00 C ATOM 305 CG TRP A 22 11.564 7.358 -18.683 1.00 0.00 C ATOM 306 CD1 TRP A 22 11.629 8.489 -19.400 1.00 0.00 C ATOM 307 CD2 TRP A 22 12.559 7.503 -17.646 1.00 0.00 C ATOM 308 NE1 TRP A 22 12.588 9.348 -18.903 1.00 0.00 N ATOM 309 CE2 TRP A 22 13.171 8.729 -17.803 1.00 0.00 C ATOM 310 CE3 TRP A 22 12.928 6.627 -16.611 1.00 0.00 C ATOM 311 CZ2 TRP A 22 14.190 9.191 -16.961 1.00 0.00 C ATOM 312 CZ3 TRP A 22 13.947 7.103 -15.777 1.00 0.00 C ATOM 313 CH2 TRP A 22 14.575 8.335 -15.922 1.00 0.00 C ATOM 0 H TRP A 22 9.248 6.208 -21.327 1.00 0.00 H new ATOM 0 HA TRP A 22 11.940 5.366 -20.350 1.00 0.00 H new ATOM 0 HB2 TRP A 22 9.606 6.493 -18.844 1.00 0.00 H new ATOM 0 HB3 TRP A 22 10.791 5.447 -18.086 1.00 0.00 H new ATOM 0 HD1 TRP A 22 11.009 8.701 -20.258 1.00 0.00 H new ATOM 0 HE1 TRP A 22 12.825 10.268 -19.274 1.00 0.00 H new ATOM 0 HE3 TRP A 22 12.462 5.663 -16.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 14.654 10.156 -17.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 14.268 6.469 -14.964 1.00 0.00 H new ATOM 0 HH2 TRP A 22 15.356 8.630 -15.237 1.00 0.00 H new ATOM 323 N HIS A 23 11.164 3.047 -20.298 1.00 0.00 N ATOM 324 CA HIS A 23 10.750 1.654 -20.322 1.00 0.00 C ATOM 325 C HIS A 23 11.162 0.975 -19.014 1.00 0.00 C ATOM 326 O HIS A 23 12.314 1.074 -18.595 1.00 0.00 O ATOM 327 CB HIS A 23 11.300 0.945 -21.558 1.00 0.00 C ATOM 328 CG HIS A 23 10.492 -0.257 -21.987 1.00 0.00 C ATOM 329 ND1 HIS A 23 9.144 -0.184 -22.292 1.00 0.00 N ATOM 330 CD2 HIS A 23 10.855 -1.561 -22.161 1.00 0.00 C ATOM 331 CE1 HIS A 23 8.725 -1.394 -22.632 1.00 0.00 C ATOM 332 NE2 HIS A 23 9.787 -2.246 -22.549 1.00 0.00 N ATOM 0 H HIS A 23 12.173 3.192 -20.321 1.00 0.00 H new ATOM 0 HA HIS A 23 9.664 1.594 -20.396 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.341 1.656 -22.384 1.00 0.00 H new ATOM 0 HB3 HIS A 23 12.324 0.629 -21.358 1.00 0.00 H new ATOM 0 HD1 HIS A 23 8.570 0.659 -22.260 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.844 -1.967 -22.009 1.00 0.00 H new ATOM 0 HE1 HIS A 23 7.719 -1.659 -22.924 1.00 0.00 H new ATOM 339 N PHE A 24 10.198 0.299 -18.406 1.00 0.00 N ATOM 340 CA PHE A 24 10.446 -0.396 -17.155 1.00 0.00 C ATOM 341 C PHE A 24 10.239 -1.904 -17.315 1.00 0.00 C ATOM 342 O PHE A 24 9.202 -2.343 -17.810 1.00 0.00 O ATOM 343 CB PHE A 24 9.437 0.139 -16.137 1.00 0.00 C ATOM 344 CG PHE A 24 9.983 0.233 -14.711 1.00 0.00 C ATOM 345 CD1 PHE A 24 11.042 -0.532 -14.336 1.00 0.00 C ATOM 346 CD2 PHE A 24 9.408 1.081 -13.818 1.00 0.00 C ATOM 347 CE1 PHE A 24 11.549 -0.444 -13.011 1.00 0.00 C ATOM 348 CE2 PHE A 24 9.914 1.170 -12.494 1.00 0.00 C ATOM 349 CZ PHE A 24 10.974 0.405 -12.119 1.00 0.00 C ATOM 0 H PHE A 24 9.244 0.218 -18.757 1.00 0.00 H new ATOM 0 HA PHE A 24 11.474 -0.229 -16.835 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.106 1.128 -16.454 1.00 0.00 H new ATOM 0 HB3 PHE A 24 8.559 -0.507 -16.137 1.00 0.00 H new ATOM 0 HD1 PHE A 24 11.498 -1.207 -15.045 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.566 1.688 -14.116 1.00 0.00 H new ATOM 0 HE1 PHE A 24 12.391 -1.052 -12.713 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.457 1.845 -11.785 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.359 0.472 -11.112 1.00 0.00 H new ATOM 358 N VAL A 25 11.243 -2.656 -16.888 1.00 0.00 N ATOM 359 CA VAL A 25 11.184 -4.105 -16.979 1.00 0.00 C ATOM 360 C VAL A 25 11.477 -4.710 -15.605 1.00 0.00 C ATOM 361 O VAL A 25 12.605 -4.639 -15.119 1.00 0.00 O ATOM 362 CB VAL A 25 12.140 -4.601 -18.067 1.00 0.00 C ATOM 363 CG1 VAL A 25 12.027 -6.116 -18.247 1.00 0.00 C ATOM 364 CG2 VAL A 25 11.893 -3.871 -19.388 1.00 0.00 C ATOM 0 H VAL A 25 12.102 -2.289 -16.478 1.00 0.00 H new ATOM 0 HA VAL A 25 10.185 -4.429 -17.271 1.00 0.00 H new ATOM 0 HB VAL A 25 13.158 -4.377 -17.747 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.717 -6.442 -19.026 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.276 -6.613 -17.310 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.007 -6.373 -18.534 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.585 -4.242 -20.144 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.869 -4.048 -19.716 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.049 -2.801 -19.247 1.00 0.00 H new ATOM 374 N LEU A 26 10.442 -5.291 -15.018 1.00 0.00 N ATOM 375 CA LEU A 26 10.574 -5.908 -13.709 1.00 0.00 C ATOM 376 C LEU A 26 10.217 -7.393 -13.811 1.00 0.00 C ATOM 377 O LEU A 26 9.109 -7.795 -13.461 1.00 0.00 O ATOM 378 CB LEU A 26 9.745 -5.148 -12.671 1.00 0.00 C ATOM 379 CG LEU A 26 10.298 -5.142 -11.244 1.00 0.00 C ATOM 380 CD1 LEU A 26 10.372 -6.560 -10.678 1.00 0.00 C ATOM 381 CD2 LEU A 26 11.651 -4.429 -11.183 1.00 0.00 C ATOM 0 H LEU A 26 9.508 -5.348 -15.424 1.00 0.00 H new ATOM 0 HA LEU A 26 11.606 -5.850 -13.364 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.641 -4.115 -13.004 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.744 -5.578 -12.650 1.00 0.00 H new ATOM 0 HG LEU A 26 9.609 -4.580 -10.614 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.768 -6.526 -9.663 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.374 -6.999 -10.664 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.026 -7.168 -11.303 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.022 -4.439 -10.158 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.362 -4.942 -11.831 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.534 -3.398 -11.517 1.00 0.00 H new HETATM 392 N DPR A 27 11.204 -8.189 -14.305 1.00 0.00 N HETATM 393 CA DPR A 27 11.006 -9.620 -14.458 1.00 0.00 C HETATM 394 CB DPR A 27 12.405 -10.198 -14.597 1.00 0.00 C HETATM 395 CG DPR A 27 13.302 -9.032 -14.982 1.00 0.00 C HETATM 396 CD DPR A 27 12.529 -7.747 -14.730 1.00 0.00 C HETATM 397 C DPR A 27 10.110 -9.924 -15.660 1.00 0.00 C HETATM 398 O DPR A 27 10.592 -10.015 -16.789 1.00 0.00 O HETATM 0 HG3 DPR A 27 14.220 -9.047 -14.395 1.00 0.00 H new HETATM 0 HG2 DPR A 27 13.593 -9.104 -16.030 1.00 0.00 H new HETATM 0 HD3 DPR A 27 12.473 -7.136 -15.631 1.00 0.00 H new HETATM 0 HD2 DPR A 27 13.009 -7.140 -13.962 1.00 0.00 H new HETATM 0 HB3 DPR A 27 12.734 -10.652 -13.662 1.00 0.00 H new HETATM 0 HB2 DPR A 27 12.431 -10.979 -15.357 1.00 0.00 H new HETATM 0 HA DPR A 27 10.488 -10.067 -13.609 1.00 0.00 H new ATOM 406 N GLY A 28 8.825 -10.072 -15.378 1.00 0.00 N ATOM 407 CA GLY A 28 7.859 -10.365 -16.423 1.00 0.00 C ATOM 408 C GLY A 28 6.888 -9.197 -16.613 1.00 0.00 C ATOM 409 O GLY A 28 6.093 -9.193 -17.553 1.00 0.00 O ATOM 0 H GLY A 28 8.430 -9.995 -14.441 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.380 -10.566 -17.359 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.303 -11.267 -16.167 1.00 0.00 H new ATOM 413 N TYR A 29 6.983 -8.236 -15.707 1.00 0.00 N ATOM 414 CA TYR A 29 6.123 -7.065 -15.764 1.00 0.00 C ATOM 415 C TYR A 29 6.717 -5.992 -16.679 1.00 0.00 C ATOM 416 O TYR A 29 7.882 -5.623 -16.533 1.00 0.00 O ATOM 417 CB TYR A 29 6.057 -6.521 -14.335 1.00 0.00 C ATOM 418 CG TYR A 29 4.972 -7.168 -13.472 1.00 0.00 C ATOM 419 CD1 TYR A 29 4.753 -8.529 -13.544 1.00 0.00 C ATOM 420 CD2 TYR A 29 4.209 -6.390 -12.625 1.00 0.00 C ATOM 421 CE1 TYR A 29 3.731 -9.137 -12.732 1.00 0.00 C ATOM 422 CE2 TYR A 29 3.187 -6.997 -11.813 1.00 0.00 C ATOM 423 CZ TYR A 29 2.998 -8.342 -11.907 1.00 0.00 C ATOM 424 OH TYR A 29 2.033 -8.916 -11.141 1.00 0.00 O ATOM 0 H TYR A 29 7.642 -8.243 -14.929 1.00 0.00 H new ATOM 0 HA TYR A 29 5.141 -7.328 -16.157 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.025 -6.670 -13.856 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.882 -5.446 -14.374 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.348 -9.138 -14.209 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.379 -5.325 -12.571 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.550 -10.201 -12.777 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.584 -6.400 -11.145 1.00 0.00 H new ATOM 0 HH TYR A 29 1.591 -8.228 -10.601 1.00 0.00 H new ATOM 433 N LYS A 30 5.890 -5.523 -17.601 1.00 0.00 N ATOM 434 CA LYS A 30 6.319 -4.498 -18.539 1.00 0.00 C ATOM 435 C LYS A 30 5.585 -3.192 -18.231 1.00 0.00 C ATOM 436 O LYS A 30 4.404 -3.050 -18.545 1.00 0.00 O ATOM 437 CB LYS A 30 6.138 -4.983 -19.978 1.00 0.00 C ATOM 438 CG LYS A 30 7.305 -5.873 -20.408 1.00 0.00 C ATOM 439 CD LYS A 30 8.468 -5.033 -20.942 1.00 0.00 C ATOM 440 CE LYS A 30 8.859 -5.472 -22.354 1.00 0.00 C ATOM 441 NZ LYS A 30 10.035 -6.369 -22.312 1.00 0.00 N ATOM 0 H LYS A 30 4.925 -5.833 -17.719 1.00 0.00 H new ATOM 0 HA LYS A 30 7.384 -4.297 -18.426 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.203 -5.537 -20.064 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.064 -4.126 -20.648 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.642 -6.471 -19.561 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.972 -6.570 -21.177 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.187 -3.980 -20.950 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.326 -5.129 -20.277 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.021 -5.984 -22.827 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.084 -4.597 -22.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.287 -6.657 -23.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.838 -5.869 -21.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.808 -7.212 -21.747 1.00 0.00 H new ATOM 450 N CYS A 31 6.314 -2.268 -17.621 1.00 0.00 N ATOM 451 CA CYS A 31 5.748 -0.979 -17.268 1.00 0.00 C ATOM 452 C CYS A 31 6.404 0.090 -18.145 1.00 0.00 C ATOM 453 O CYS A 31 7.568 0.430 -17.946 1.00 0.00 O ATOM 454 CB CYS A 31 5.913 -0.676 -15.778 1.00 0.00 C ATOM 455 SG CYS A 31 4.518 -1.215 -14.725 1.00 0.00 S ATOM 0 H CYS A 31 7.293 -2.388 -17.362 1.00 0.00 H new ATOM 0 HA CYS A 31 4.674 -0.989 -17.451 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.824 -1.157 -15.423 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.050 0.398 -15.653 1.00 0.00 H new ATOM 459 N GLU A 32 5.628 0.588 -19.096 1.00 0.00 N ATOM 460 CA GLU A 32 6.118 1.613 -20.003 1.00 0.00 C ATOM 461 C GLU A 32 5.286 2.888 -19.864 1.00 0.00 C ATOM 462 O GLU A 32 4.057 2.837 -19.882 1.00 0.00 O ATOM 463 CB GLU A 32 6.117 1.109 -21.448 1.00 0.00 C ATOM 464 CG GLU A 32 4.694 0.801 -21.920 1.00 0.00 C ATOM 465 CD GLU A 32 4.263 1.765 -23.027 1.00 0.00 C ATOM 466 OE1 GLU A 32 3.859 2.901 -22.736 1.00 0.00 O ATOM 467 OE2 GLU A 32 4.359 1.298 -24.225 1.00 0.00 O ATOM 0 H GLU A 32 4.663 0.301 -19.259 1.00 0.00 H new ATOM 0 HA GLU A 32 7.148 1.847 -19.735 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.566 1.859 -22.099 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.732 0.212 -21.525 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.642 -0.225 -22.285 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.004 0.875 -21.079 1.00 0.00 H new ATOM 473 N ILE A 33 5.988 4.003 -19.731 1.00 0.00 N ATOM 474 CA ILE A 33 5.328 5.290 -19.590 1.00 0.00 C ATOM 475 C ILE A 33 5.774 6.213 -20.726 1.00 0.00 C ATOM 476 O ILE A 33 6.827 6.004 -21.324 1.00 0.00 O ATOM 477 CB ILE A 33 5.575 5.868 -18.194 1.00 0.00 C ATOM 478 CG1 ILE A 33 7.034 6.301 -18.031 1.00 0.00 C ATOM 479 CG2 ILE A 33 5.144 4.882 -17.107 1.00 0.00 C ATOM 480 CD1 ILE A 33 7.141 7.543 -17.143 1.00 0.00 C ATOM 0 H ILE A 33 7.007 4.042 -19.718 1.00 0.00 H new ATOM 0 HA ILE A 33 4.247 5.177 -19.676 1.00 0.00 H new ATOM 0 HB ILE A 33 4.959 6.760 -18.080 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.612 5.487 -17.595 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.466 6.511 -19.009 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.331 5.318 -16.126 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.081 4.666 -17.212 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.713 3.958 -17.208 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.188 7.830 -17.043 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.582 8.362 -17.594 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.730 7.322 -16.158 1.00 0.00 H new ATOM 491 N LEU A 34 4.948 7.217 -20.988 1.00 0.00 N ATOM 492 CA LEU A 34 5.243 8.172 -22.043 1.00 0.00 C ATOM 493 C LEU A 34 5.425 9.562 -21.428 1.00 0.00 C ATOM 494 O LEU A 34 4.447 10.246 -21.129 1.00 0.00 O ATOM 495 CB LEU A 34 4.171 8.117 -23.131 1.00 0.00 C ATOM 496 CG LEU A 34 4.655 8.368 -24.561 1.00 0.00 C ATOM 497 CD1 LEU A 34 3.756 7.659 -25.576 1.00 0.00 C ATOM 498 CD2 LEU A 34 4.769 9.867 -24.846 1.00 0.00 C ATOM 0 H LEU A 34 4.076 7.389 -20.488 1.00 0.00 H new ATOM 0 HA LEU A 34 6.179 7.916 -22.539 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.696 7.137 -23.096 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.402 8.853 -22.894 1.00 0.00 H new ATOM 0 HG LEU A 34 5.654 7.944 -24.663 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.122 7.853 -26.584 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.769 6.586 -25.386 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.736 8.032 -25.482 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.115 10.018 -25.869 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.793 10.337 -24.720 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.480 10.316 -24.153 1.00 0.00 H new ATOM 509 N ALA A 35 6.685 9.938 -21.256 1.00 0.00 N ATOM 510 CA ALA A 35 7.005 11.234 -20.682 1.00 0.00 C ATOM 511 C ALA A 35 7.977 11.969 -21.608 1.00 0.00 C ATOM 512 O ALA A 35 7.637 12.282 -22.748 1.00 0.00 O ATOM 513 CB ALA A 35 7.574 11.043 -19.274 1.00 0.00 C ATOM 0 H ALA A 35 7.494 9.369 -21.504 1.00 0.00 H new ATOM 0 HA ALA A 35 6.108 11.846 -20.591 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.814 12.015 -18.844 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.836 10.541 -18.648 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.478 10.436 -19.326 1.00 0.00 H new TER 519 ALA A 35 ATOM 520 N ARG B 1 -16.532 -16.785 -23.217 1.00 0.00 N ATOM 521 CA ARG B 1 -15.430 -16.951 -24.150 1.00 0.00 C ATOM 522 C ARG B 1 -15.180 -15.648 -24.913 1.00 0.00 C ATOM 523 O ARG B 1 -16.097 -14.852 -25.109 1.00 0.00 O ATOM 524 CB ARG B 1 -15.718 -18.072 -25.151 1.00 0.00 C ATOM 525 CG ARG B 1 -16.923 -17.727 -26.029 1.00 0.00 C ATOM 526 CD ARG B 1 -16.605 -17.952 -27.508 1.00 0.00 C ATOM 527 NE ARG B 1 -17.788 -18.511 -28.201 1.00 0.00 N ATOM 528 CZ ARG B 1 -17.972 -18.466 -29.538 1.00 0.00 C ATOM 529 NH1 ARG B 1 -17.053 -17.888 -30.338 1.00 0.00 N ATOM 530 NH2 ARG B 1 -19.067 -18.997 -30.049 1.00 0.00 N ATOM 0 H1 ARG B 1 -17.203 -17.572 -23.329 1.00 0.00 H new ATOM 0 H2 ARG B 1 -16.165 -16.779 -22.244 1.00 0.00 H new ATOM 0 H3 ARG B 1 -17.018 -15.886 -23.410 1.00 0.00 H new ATOM 0 HA ARG B 1 -14.544 -17.215 -23.572 1.00 0.00 H new ATOM 0 HB2 ARG B 1 -14.842 -18.238 -25.778 1.00 0.00 H new ATOM 0 HB3 ARG B 1 -15.908 -19.002 -24.616 1.00 0.00 H new ATOM 0 HG2 ARG B 1 -17.776 -18.340 -25.739 1.00 0.00 H new ATOM 0 HG3 ARG B 1 -17.209 -16.687 -25.869 1.00 0.00 H new ATOM 0 HD2 ARG B 1 -16.312 -17.011 -27.973 1.00 0.00 H new ATOM 0 HD3 ARG B 1 -15.760 -18.633 -27.607 1.00 0.00 H new ATOM 0 HE ARG B 1 -18.508 -18.958 -27.634 1.00 0.00 H new ATOM 0 HH11 ARG B 1 -16.210 -17.480 -29.934 1.00 0.00 H new ATOM 0 HH12 ARG B 1 -17.201 -17.859 -31.347 1.00 0.00 H new ATOM 0 HH21 ARG B 1 -19.757 -19.432 -29.436 1.00 0.00 H new ATOM 0 HH22 ARG B 1 -19.223 -18.973 -31.057 1.00 0.00 H new ATOM 540 N GLY B 2 -13.933 -15.470 -25.322 1.00 0.00 N ATOM 541 CA GLY B 2 -13.550 -14.277 -26.060 1.00 0.00 C ATOM 542 C GLY B 2 -13.041 -13.188 -25.115 1.00 0.00 C ATOM 543 O GLY B 2 -12.049 -13.382 -24.414 1.00 0.00 O ATOM 0 H GLY B 2 -13.174 -16.131 -25.157 1.00 0.00 H new ATOM 0 HA2 GLY B 2 -12.775 -14.526 -26.784 1.00 0.00 H new ATOM 0 HA3 GLY B 2 -14.405 -13.904 -26.624 1.00 0.00 H new ATOM 547 N GLU B 3 -13.745 -12.065 -25.126 1.00 0.00 N ATOM 548 CA GLU B 3 -13.376 -10.943 -24.277 1.00 0.00 C ATOM 549 C GLU B 3 -14.482 -10.666 -23.256 1.00 0.00 C ATOM 550 O GLU B 3 -15.121 -9.615 -23.298 1.00 0.00 O ATOM 551 CB GLU B 3 -13.078 -9.697 -25.113 1.00 0.00 C ATOM 552 CG GLU B 3 -12.640 -8.532 -24.224 1.00 0.00 C ATOM 553 CD GLU B 3 -13.489 -7.288 -24.496 1.00 0.00 C ATOM 554 OE1 GLU B 3 -14.725 -7.351 -24.420 1.00 0.00 O ATOM 555 OE2 GLU B 3 -12.819 -6.226 -24.794 1.00 0.00 O ATOM 0 H GLU B 3 -14.568 -11.908 -25.708 1.00 0.00 H new ATOM 0 HA GLU B 3 -12.466 -11.204 -23.738 1.00 0.00 H new ATOM 0 HB2 GLU B 3 -12.295 -9.920 -25.838 1.00 0.00 H new ATOM 0 HB3 GLU B 3 -13.965 -9.414 -25.679 1.00 0.00 H new ATOM 0 HG2 GLU B 3 -12.729 -8.816 -23.175 1.00 0.00 H new ATOM 0 HG3 GLU B 3 -11.589 -8.307 -24.405 1.00 0.00 H new ATOM 561 N CYS B 4 -14.672 -11.626 -22.362 1.00 0.00 N ATOM 562 CA CYS B 4 -15.689 -11.496 -21.331 1.00 0.00 C ATOM 563 C CYS B 4 -15.028 -11.733 -19.973 1.00 0.00 C ATOM 564 O CYS B 4 -15.129 -12.822 -19.410 1.00 0.00 O ATOM 565 CB CYS B 4 -16.860 -12.452 -21.571 1.00 0.00 C ATOM 566 SG CYS B 4 -18.241 -12.045 -20.440 1.00 0.00 S ATOM 0 H CYS B 4 -14.140 -12.496 -22.330 1.00 0.00 H new ATOM 0 HA CYS B 4 -16.113 -10.492 -21.357 1.00 0.00 H new ATOM 0 HB2 CYS B 4 -17.193 -12.380 -22.606 1.00 0.00 H new ATOM 0 HB3 CYS B 4 -16.539 -13.481 -21.411 1.00 0.00 H new ATOM 0 HG CYS B 4 -19.231 -12.860 -20.653 1.00 0.00 H new ATOM 571 N LYS B 5 -14.366 -10.694 -19.484 1.00 0.00 N ATOM 572 CA LYS B 5 -13.687 -10.775 -18.202 1.00 0.00 C ATOM 573 C LYS B 5 -14.282 -9.735 -17.249 1.00 0.00 C ATOM 574 O LYS B 5 -15.491 -9.507 -17.250 1.00 0.00 O ATOM 575 CB LYS B 5 -12.174 -10.646 -18.385 1.00 0.00 C ATOM 576 CG LYS B 5 -11.431 -11.714 -17.579 1.00 0.00 C ATOM 577 CD LYS B 5 -11.577 -11.466 -16.077 1.00 0.00 C ATOM 578 CE LYS B 5 -11.285 -12.739 -15.281 1.00 0.00 C ATOM 579 NZ LYS B 5 -10.367 -12.449 -14.156 1.00 0.00 N ATOM 0 H LYS B 5 -14.286 -9.792 -19.953 1.00 0.00 H new ATOM 0 HA LYS B 5 -13.846 -11.753 -17.749 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -11.922 -10.742 -19.441 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -11.849 -9.655 -18.069 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -11.822 -12.700 -17.828 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -10.375 -11.711 -17.851 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -10.895 -10.674 -15.767 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -12.587 -11.120 -15.858 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -12.216 -13.158 -14.899 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -10.842 -13.490 -15.935 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -10.180 -13.324 -13.626 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -9.472 -12.070 -14.527 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -10.804 -11.748 -13.523 1.00 0.00 H new ATOM 588 N PHE B 6 -13.403 -9.132 -16.462 1.00 0.00 N ATOM 589 CA PHE B 6 -13.826 -8.122 -15.506 1.00 0.00 C ATOM 590 C PHE B 6 -12.647 -7.251 -15.072 1.00 0.00 C ATOM 591 O PHE B 6 -11.508 -7.498 -15.467 1.00 0.00 O ATOM 592 CB PHE B 6 -14.376 -8.863 -14.285 1.00 0.00 C ATOM 593 CG PHE B 6 -15.769 -8.403 -13.853 1.00 0.00 C ATOM 594 CD1 PHE B 6 -16.874 -8.933 -14.447 1.00 0.00 C ATOM 595 CD2 PHE B 6 -15.906 -7.466 -12.877 1.00 0.00 C ATOM 596 CE1 PHE B 6 -18.167 -8.507 -14.047 1.00 0.00 C ATOM 597 CE2 PHE B 6 -17.199 -7.040 -12.477 1.00 0.00 C ATOM 598 CZ PHE B 6 -18.304 -7.570 -13.070 1.00 0.00 C ATOM 0 H PHE B 6 -12.401 -9.323 -16.466 1.00 0.00 H new ATOM 0 HA PHE B 6 -14.575 -7.472 -15.958 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -14.409 -9.930 -14.505 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -13.686 -8.731 -13.451 1.00 0.00 H new ATOM 0 HD1 PHE B 6 -16.766 -9.677 -15.222 1.00 0.00 H new ATOM 0 HD2 PHE B 6 -15.030 -7.046 -12.406 1.00 0.00 H new ATOM 0 HE1 PHE B 6 -19.043 -8.927 -14.518 1.00 0.00 H new ATOM 0 HE2 PHE B 6 -17.307 -6.295 -11.702 1.00 0.00 H new ATOM 0 HZ PHE B 6 -19.288 -7.247 -12.765 1.00 0.00 H new ATOM 607 N THR B 7 -12.958 -6.248 -14.264 1.00 0.00 N ATOM 608 CA THR B 7 -11.937 -5.338 -13.771 1.00 0.00 C ATOM 609 C THR B 7 -11.942 -5.309 -12.241 1.00 0.00 C ATOM 610 O THR B 7 -13.000 -5.206 -11.622 1.00 0.00 O ATOM 611 CB THR B 7 -12.181 -3.967 -14.404 1.00 0.00 C ATOM 612 OG1 THR B 7 -11.865 -4.160 -15.781 1.00 0.00 O ATOM 613 CG2 THR B 7 -11.172 -2.917 -13.934 1.00 0.00 C ATOM 0 H THR B 7 -13.903 -6.045 -13.938 1.00 0.00 H new ATOM 0 HA THR B 7 -10.939 -5.672 -14.056 1.00 0.00 H new ATOM 0 HB THR B 7 -13.191 -3.632 -14.167 1.00 0.00 H new ATOM 0 HG1 THR B 7 -11.335 -3.402 -16.105 1.00 0.00 H new ATOM 0 HG21 THR B 7 -11.390 -1.963 -14.413 1.00 0.00 H new ATOM 0 HG22 THR B 7 -11.242 -2.804 -12.852 1.00 0.00 H new ATOM 0 HG23 THR B 7 -10.164 -3.235 -14.201 1.00 0.00 H new ATOM 621 N VAL B 8 -10.748 -5.405 -11.677 1.00 0.00 N ATOM 622 CA VAL B 8 -10.601 -5.391 -10.230 1.00 0.00 C ATOM 623 C VAL B 8 -9.405 -4.514 -9.852 1.00 0.00 C ATOM 624 O VAL B 8 -8.368 -4.553 -10.513 1.00 0.00 O ATOM 625 CB VAL B 8 -10.481 -6.822 -9.704 1.00 0.00 C ATOM 626 CG1 VAL B 8 -10.006 -6.834 -8.249 1.00 0.00 C ATOM 627 CG2 VAL B 8 -11.807 -7.573 -9.852 1.00 0.00 C ATOM 0 H VAL B 8 -9.873 -5.493 -12.194 1.00 0.00 H new ATOM 0 HA VAL B 8 -11.484 -4.958 -9.760 1.00 0.00 H new ATOM 0 HB VAL B 8 -9.733 -7.338 -10.306 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -9.929 -7.864 -7.900 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -9.030 -6.354 -8.181 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -10.720 -6.293 -7.629 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -11.695 -8.588 -9.471 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -12.583 -7.057 -9.287 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -12.089 -7.610 -10.904 1.00 0.00 H new HETATM 637 N DPR B 9 -9.593 -3.724 -8.762 1.00 0.00 N HETATM 638 CA DPR B 9 -8.544 -2.839 -8.288 1.00 0.00 C HETATM 639 CB DPR B 9 -8.942 -2.483 -6.865 1.00 0.00 C HETATM 640 CG DPR B 9 -10.423 -2.803 -6.754 1.00 0.00 C HETATM 641 CD DPR B 9 -10.809 -3.653 -7.954 1.00 0.00 C HETATM 642 C DPR B 9 -8.407 -1.614 -9.196 1.00 0.00 C HETATM 643 O DPR B 9 -7.710 -0.660 -8.855 1.00 0.00 O HETATM 0 HG3 DPR B 9 -10.629 -3.337 -5.826 1.00 0.00 H new HETATM 0 HG2 DPR B 9 -11.011 -1.885 -6.732 1.00 0.00 H new HETATM 0 HD3 DPR B 9 -11.630 -3.202 -8.512 1.00 0.00 H new HETATM 0 HD2 DPR B 9 -11.140 -4.645 -7.647 1.00 0.00 H new HETATM 0 HB3 DPR B 9 -8.363 -3.058 -6.142 1.00 0.00 H new HETATM 0 HB2 DPR B 9 -8.754 -1.429 -6.659 1.00 0.00 H new HETATM 0 HA DPR B 9 -7.559 -3.306 -8.306 1.00 0.00 H new ATOM 651 N GLY B 10 -9.086 -1.682 -10.332 1.00 0.00 N ATOM 652 CA GLY B 10 -9.049 -0.590 -11.290 1.00 0.00 C ATOM 653 C GLY B 10 -8.312 -1.004 -12.564 1.00 0.00 C ATOM 654 O GLY B 10 -8.294 -0.262 -13.545 1.00 0.00 O ATOM 0 H GLY B 10 -9.664 -2.475 -10.610 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.065 -0.283 -11.537 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -8.555 0.273 -10.844 1.00 0.00 H new ATOM 658 N ARG B 11 -7.720 -2.189 -12.509 1.00 0.00 N ATOM 659 CA ARG B 11 -6.983 -2.710 -13.648 1.00 0.00 C ATOM 660 C ARG B 11 -7.862 -3.666 -14.457 1.00 0.00 C ATOM 661 O ARG B 11 -8.378 -4.645 -13.919 1.00 0.00 O ATOM 662 CB ARG B 11 -5.720 -3.447 -13.195 1.00 0.00 C ATOM 663 CG ARG B 11 -6.054 -4.520 -12.158 1.00 0.00 C ATOM 664 CD ARG B 11 -5.685 -4.055 -10.748 1.00 0.00 C ATOM 665 NE ARG B 11 -6.005 -5.114 -9.765 1.00 0.00 N ATOM 666 CZ ARG B 11 -5.302 -5.336 -8.635 1.00 0.00 C ATOM 667 NH1 ARG B 11 -4.230 -4.572 -8.335 1.00 0.00 N ATOM 668 NH2 ARG B 11 -5.677 -6.311 -7.828 1.00 0.00 N ATOM 0 H ARG B 11 -7.736 -2.802 -11.694 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.693 -1.864 -14.271 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.234 -3.907 -14.056 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -5.011 -2.735 -12.772 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -7.118 -4.753 -12.201 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -5.517 -5.438 -12.394 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -4.623 -3.814 -10.702 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -6.230 -3.143 -10.503 1.00 0.00 H new ATOM 0 HE ARG B 11 -6.808 -5.714 -9.954 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -3.947 -3.821 -8.964 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -3.703 -4.746 -7.479 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -6.488 -6.884 -8.063 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -5.156 -6.492 -6.970 1.00 0.00 H new ATOM 678 N THR B 12 -8.003 -3.350 -15.736 1.00 0.00 N ATOM 679 CA THR B 12 -8.810 -4.171 -16.622 1.00 0.00 C ATOM 680 C THR B 12 -8.068 -5.460 -16.979 1.00 0.00 C ATOM 681 O THR B 12 -7.049 -5.426 -17.668 1.00 0.00 O ATOM 682 CB THR B 12 -9.179 -3.324 -17.843 1.00 0.00 C ATOM 683 OG1 THR B 12 -10.011 -2.295 -17.315 1.00 0.00 O ATOM 684 CG2 THR B 12 -10.085 -4.072 -18.823 1.00 0.00 C ATOM 0 H THR B 12 -7.573 -2.538 -16.179 1.00 0.00 H new ATOM 0 HA THR B 12 -9.733 -4.489 -16.136 1.00 0.00 H new ATOM 0 HB THR B 12 -8.269 -3.013 -18.356 1.00 0.00 H new ATOM 0 HG1 THR B 12 -10.294 -1.699 -18.040 1.00 0.00 H new ATOM 0 HG21 THR B 12 -10.316 -3.426 -19.670 1.00 0.00 H new ATOM 0 HG22 THR B 12 -9.576 -4.968 -19.178 1.00 0.00 H new ATOM 0 HG23 THR B 12 -11.009 -4.355 -18.320 1.00 0.00 H new ATOM 692 N ALA B 13 -8.609 -6.569 -16.493 1.00 0.00 N ATOM 693 CA ALA B 13 -8.012 -7.868 -16.751 1.00 0.00 C ATOM 694 C ALA B 13 -8.991 -8.724 -17.557 1.00 0.00 C ATOM 695 O ALA B 13 -10.140 -8.903 -17.156 1.00 0.00 O ATOM 696 CB ALA B 13 -7.618 -8.522 -15.425 1.00 0.00 C ATOM 0 H ALA B 13 -9.454 -6.594 -15.922 1.00 0.00 H new ATOM 0 HA ALA B 13 -7.103 -7.762 -17.344 1.00 0.00 H new ATOM 0 HB1 ALA B 13 -7.170 -9.497 -15.619 1.00 0.00 H new ATOM 0 HB2 ALA B 13 -6.898 -7.889 -14.907 1.00 0.00 H new ATOM 0 HB3 ALA B 13 -8.505 -8.647 -14.804 1.00 0.00 H new ATOM 702 N LEU B 14 -8.501 -9.232 -18.678 1.00 0.00 N ATOM 703 CA LEU B 14 -9.317 -10.064 -19.543 1.00 0.00 C ATOM 704 C LEU B 14 -8.610 -11.401 -19.774 1.00 0.00 C ATOM 705 O LEU B 14 -7.387 -11.485 -19.676 1.00 0.00 O ATOM 706 CB LEU B 14 -9.661 -9.320 -20.834 1.00 0.00 C ATOM 707 CG LEU B 14 -10.471 -8.032 -20.671 1.00 0.00 C ATOM 708 CD1 LEU B 14 -10.147 -7.036 -21.787 1.00 0.00 C ATOM 709 CD2 LEU B 14 -11.970 -8.333 -20.587 1.00 0.00 C ATOM 0 H LEU B 14 -7.547 -9.083 -19.007 1.00 0.00 H new ATOM 0 HA LEU B 14 -10.272 -10.286 -19.066 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -8.731 -9.078 -21.349 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -10.218 -9.996 -21.482 1.00 0.00 H new ATOM 0 HG LEU B 14 -10.184 -7.565 -19.729 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -10.736 -6.129 -21.648 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -9.086 -6.788 -21.756 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -10.388 -7.480 -22.753 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -12.522 -7.401 -20.471 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -12.292 -8.835 -21.499 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -12.164 -8.978 -19.730 1.00 0.00 H new ATOM 720 N ASN B 15 -9.409 -12.413 -20.076 1.00 0.00 N ATOM 721 CA ASN B 15 -8.875 -13.741 -20.322 1.00 0.00 C ATOM 722 C ASN B 15 -8.857 -14.010 -21.827 1.00 0.00 C ATOM 723 O ASN B 15 -9.910 -14.114 -22.455 1.00 0.00 O ATOM 724 CB ASN B 15 -9.742 -14.815 -19.661 1.00 0.00 C ATOM 725 CG ASN B 15 -8.881 -15.956 -19.113 1.00 0.00 C ATOM 726 OD1 ASN B 15 -7.663 -15.912 -19.133 1.00 0.00 O ATOM 727 ND2 ASN B 15 -9.581 -16.974 -18.622 1.00 0.00 N ATOM 0 H ASN B 15 -10.423 -12.340 -20.156 1.00 0.00 H new ATOM 0 HA ASN B 15 -7.869 -13.781 -19.904 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -10.322 -14.372 -18.852 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -10.455 -15.209 -20.386 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -9.099 -17.783 -18.231 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -10.601 -16.946 -18.637 1.00 0.00 H new ATOM 733 N THR B 16 -7.650 -14.112 -22.364 1.00 0.00 N ATOM 734 CA THR B 16 -7.482 -14.367 -23.784 1.00 0.00 C ATOM 735 C THR B 16 -7.036 -15.811 -24.019 1.00 0.00 C ATOM 736 O THR B 16 -5.849 -16.120 -23.928 1.00 0.00 O ATOM 737 CB THR B 16 -6.501 -13.329 -24.337 1.00 0.00 C ATOM 738 OG1 THR B 16 -7.256 -12.121 -24.369 1.00 0.00 O ATOM 739 CG2 THR B 16 -6.142 -13.585 -25.803 1.00 0.00 C ATOM 0 H THR B 16 -6.779 -14.023 -21.841 1.00 0.00 H new ATOM 0 HA THR B 16 -8.426 -14.262 -24.319 1.00 0.00 H new ATOM 0 HB THR B 16 -5.592 -13.332 -23.736 1.00 0.00 H new ATOM 0 HG1 THR B 16 -6.696 -11.394 -24.713 1.00 0.00 H new ATOM 0 HG21 THR B 16 -5.444 -12.821 -26.145 1.00 0.00 H new ATOM 0 HG22 THR B 16 -5.680 -14.568 -25.898 1.00 0.00 H new ATOM 0 HG23 THR B 16 -7.046 -13.549 -26.411 1.00 0.00 H new HETATM 747 N DPR B 17 -8.037 -16.679 -24.326 1.00 0.00 N HETATM 748 CA DPR B 17 -7.759 -18.084 -24.574 1.00 0.00 C HETATM 749 CB DPR B 17 -8.991 -18.608 -25.293 1.00 0.00 C HETATM 750 CG DPR B 17 -10.098 -17.603 -25.008 1.00 0.00 C HETATM 751 CD DPR B 17 -9.453 -16.349 -24.443 1.00 0.00 C HETATM 752 C DPR B 17 -7.468 -18.825 -23.268 1.00 0.00 C HETATM 753 O DPR B 17 -8.389 -19.287 -22.595 1.00 0.00 O HETATM 0 HG3 DPR B 17 -10.648 -17.372 -25.920 1.00 0.00 H new HETATM 0 HG2 DPR B 17 -10.816 -18.016 -24.299 1.00 0.00 H new HETATM 0 HD3 DPR B 17 -9.879 -16.087 -23.475 1.00 0.00 H new HETATM 0 HD2 DPR B 17 -9.607 -15.494 -25.101 1.00 0.00 H new HETATM 0 HB3 DPR B 17 -8.810 -18.697 -26.364 1.00 0.00 H new HETATM 0 HB2 DPR B 17 -9.262 -19.600 -24.932 1.00 0.00 H new HETATM 0 HA DPR B 17 -6.866 -18.235 -25.181 1.00 0.00 H new ATOM 761 N ALA B 18 -6.186 -18.915 -22.947 1.00 0.00 N ATOM 762 CA ALA B 18 -5.763 -19.592 -21.734 1.00 0.00 C ATOM 763 C ALA B 18 -4.672 -18.767 -21.048 1.00 0.00 C ATOM 764 O ALA B 18 -3.951 -19.274 -20.192 1.00 0.00 O ATOM 765 CB ALA B 18 -5.295 -21.008 -22.075 1.00 0.00 C ATOM 0 H ALA B 18 -5.426 -18.530 -23.507 1.00 0.00 H new ATOM 0 HA ALA B 18 -6.595 -19.683 -21.036 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -4.978 -21.516 -21.164 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -6.115 -21.562 -22.532 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -4.459 -20.957 -22.772 1.00 0.00 H new ATOM 771 N VAL B 19 -4.588 -17.507 -21.451 1.00 0.00 N ATOM 772 CA VAL B 19 -3.597 -16.607 -20.886 1.00 0.00 C ATOM 773 C VAL B 19 -4.304 -15.392 -20.280 1.00 0.00 C ATOM 774 O VAL B 19 -5.255 -14.870 -20.860 1.00 0.00 O ATOM 775 CB VAL B 19 -2.567 -16.226 -21.951 1.00 0.00 C ATOM 776 CG1 VAL B 19 -1.586 -15.180 -21.417 1.00 0.00 C ATOM 777 CG2 VAL B 19 -1.824 -17.464 -22.460 1.00 0.00 C ATOM 0 H VAL B 19 -5.189 -17.089 -22.161 1.00 0.00 H new ATOM 0 HA VAL B 19 -3.049 -17.100 -20.083 1.00 0.00 H new ATOM 0 HB VAL B 19 -3.102 -15.784 -22.792 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -0.865 -14.927 -22.194 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -2.133 -14.284 -21.124 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -1.060 -15.583 -20.551 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -1.097 -17.167 -23.216 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -1.307 -17.945 -21.630 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -2.538 -18.162 -22.897 1.00 0.00 H new ATOM 787 N GLN B 20 -3.815 -14.979 -19.119 1.00 0.00 N ATOM 788 CA GLN B 20 -4.389 -13.838 -18.429 1.00 0.00 C ATOM 789 C GLN B 20 -3.622 -12.562 -18.783 1.00 0.00 C ATOM 790 O GLN B 20 -2.428 -12.455 -18.505 1.00 0.00 O ATOM 791 CB GLN B 20 -4.405 -14.065 -16.916 1.00 0.00 C ATOM 792 CG GLN B 20 -5.829 -14.321 -16.415 1.00 0.00 C ATOM 793 CD GLN B 20 -5.860 -14.447 -14.890 1.00 0.00 C ATOM 794 OE1 GLN B 20 -5.916 -13.470 -14.162 1.00 0.00 O ATOM 795 NE2 GLN B 20 -5.818 -15.702 -14.452 1.00 0.00 N ATOM 0 H GLN B 20 -3.027 -15.415 -18.640 1.00 0.00 H new ATOM 0 HA GLN B 20 -5.422 -13.721 -18.758 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -3.769 -14.914 -16.665 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -3.988 -13.194 -16.410 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -6.481 -13.506 -16.729 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -6.219 -15.233 -16.867 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -5.772 -16.473 -15.118 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -5.832 -15.893 -13.450 1.00 0.00 H new ATOM 802 N LYS B 21 -4.338 -11.629 -19.392 1.00 0.00 N ATOM 803 CA LYS B 21 -3.740 -10.366 -19.788 1.00 0.00 C ATOM 804 C LYS B 21 -4.244 -9.256 -18.863 1.00 0.00 C ATOM 805 O LYS B 21 -5.450 -9.044 -18.743 1.00 0.00 O ATOM 806 CB LYS B 21 -3.995 -10.093 -21.273 1.00 0.00 C ATOM 807 CG LYS B 21 -2.718 -10.287 -22.092 1.00 0.00 C ATOM 808 CD LYS B 21 -3.045 -10.539 -23.565 1.00 0.00 C ATOM 809 CE LYS B 21 -2.775 -9.289 -24.408 1.00 0.00 C ATOM 810 NZ LYS B 21 -3.936 -8.372 -24.360 1.00 0.00 N ATOM 0 H LYS B 21 -5.328 -11.723 -19.621 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.656 -10.407 -19.677 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.773 -10.762 -21.641 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.363 -9.075 -21.402 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -2.086 -9.403 -22.002 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.150 -11.127 -21.693 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.446 -11.370 -23.937 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -4.091 -10.830 -23.665 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -1.885 -8.779 -24.038 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -2.573 -9.576 -25.440 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -3.737 -7.530 -24.936 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -4.777 -8.857 -24.734 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -4.111 -8.085 -23.376 1.00 0.00 H new ATOM 819 N TRP B 22 -3.296 -8.576 -18.236 1.00 0.00 N ATOM 820 CA TRP B 22 -3.630 -7.493 -17.325 1.00 0.00 C ATOM 821 C TRP B 22 -3.077 -6.194 -17.915 1.00 0.00 C ATOM 822 O TRP B 22 -1.863 -6.009 -17.990 1.00 0.00 O ATOM 823 CB TRP B 22 -3.108 -7.779 -15.917 1.00 0.00 C ATOM 824 CG TRP B 22 -4.040 -8.654 -15.074 1.00 0.00 C ATOM 825 CD1 TRP B 22 -4.647 -9.794 -15.430 1.00 0.00 C ATOM 826 CD2 TRP B 22 -4.447 -8.411 -13.711 1.00 0.00 C ATOM 827 NE1 TRP B 22 -5.413 -10.301 -14.400 1.00 0.00 N ATOM 828 CE2 TRP B 22 -5.288 -9.433 -13.322 1.00 0.00 C ATOM 829 CE3 TRP B 22 -4.116 -7.361 -12.837 1.00 0.00 C ATOM 830 CZ2 TRP B 22 -5.867 -9.507 -12.049 1.00 0.00 C ATOM 831 CZ3 TRP B 22 -4.704 -7.448 -11.569 1.00 0.00 C ATOM 832 CH2 TRP B 22 -5.552 -8.471 -11.161 1.00 0.00 C ATOM 0 H TRP B 22 -2.297 -8.753 -18.340 1.00 0.00 H new ATOM 0 HA TRP B 22 -4.711 -7.397 -17.220 1.00 0.00 H new ATOM 0 HB2 TRP B 22 -2.137 -8.268 -15.993 1.00 0.00 H new ATOM 0 HB3 TRP B 22 -2.949 -6.833 -15.400 1.00 0.00 H new ATOM 0 HD1 TRP B 22 -4.549 -10.258 -16.400 1.00 0.00 H new ATOM 0 HE1 TRP B 22 -5.969 -11.156 -14.425 1.00 0.00 H new ATOM 0 HE3 TRP B 22 -3.460 -6.551 -13.121 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 -6.521 -10.319 -11.767 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 -4.483 -6.665 -10.858 1.00 0.00 H new ATOM 0 HH2 TRP B 22 -5.966 -8.467 -10.164 1.00 0.00 H new ATOM 842 N HIS B 23 -3.994 -5.326 -18.318 1.00 0.00 N ATOM 843 CA HIS B 23 -3.614 -4.050 -18.899 1.00 0.00 C ATOM 844 C HIS B 23 -4.086 -2.913 -17.990 1.00 0.00 C ATOM 845 O HIS B 23 -5.235 -2.897 -17.555 1.00 0.00 O ATOM 846 CB HIS B 23 -4.141 -3.924 -20.328 1.00 0.00 C ATOM 847 CG HIS B 23 -5.401 -4.715 -20.590 1.00 0.00 C ATOM 848 ND1 HIS B 23 -5.429 -6.098 -20.602 1.00 0.00 N ATOM 849 CD2 HIS B 23 -6.677 -4.301 -20.848 1.00 0.00 C ATOM 850 CE1 HIS B 23 -6.670 -6.489 -20.857 1.00 0.00 C ATOM 851 NE2 HIS B 23 -7.440 -5.375 -21.009 1.00 0.00 N ATOM 0 H HIS B 23 -5.000 -5.482 -18.253 1.00 0.00 H new ATOM 0 HA HIS B 23 -2.528 -3.987 -18.969 1.00 0.00 H new ATOM 0 HB2 HIS B 23 -4.333 -2.873 -20.542 1.00 0.00 H new ATOM 0 HB3 HIS B 23 -3.367 -4.254 -21.020 1.00 0.00 H new ATOM 0 HD1 HIS B 23 -4.631 -6.712 -20.442 1.00 0.00 H new ATOM 0 HD2 HIS B 23 -7.008 -3.275 -20.910 1.00 0.00 H new ATOM 0 HE1 HIS B 23 -7.011 -7.511 -20.931 1.00 0.00 H new ATOM 858 N PHE B 24 -3.173 -1.989 -17.731 1.00 0.00 N ATOM 859 CA PHE B 24 -3.481 -0.849 -16.882 1.00 0.00 C ATOM 860 C PHE B 24 -3.188 0.468 -17.604 1.00 0.00 C ATOM 861 O PHE B 24 -2.028 0.810 -17.829 1.00 0.00 O ATOM 862 CB PHE B 24 -2.580 -0.953 -15.649 1.00 0.00 C ATOM 863 CG PHE B 24 -2.361 -2.386 -15.158 1.00 0.00 C ATOM 864 CD1 PHE B 24 -3.386 -3.280 -15.189 1.00 0.00 C ATOM 865 CD2 PHE B 24 -1.142 -2.766 -14.689 1.00 0.00 C ATOM 866 CE1 PHE B 24 -3.183 -4.609 -14.732 1.00 0.00 C ATOM 867 CE2 PHE B 24 -0.939 -4.095 -14.233 1.00 0.00 C ATOM 868 CZ PHE B 24 -1.964 -4.988 -14.264 1.00 0.00 C ATOM 0 H PHE B 24 -2.220 -2.006 -18.094 1.00 0.00 H new ATOM 0 HA PHE B 24 -4.538 -0.858 -16.616 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.613 -0.507 -15.880 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -3.017 -0.366 -14.841 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.354 -2.979 -15.561 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.328 -2.056 -14.664 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.997 -5.319 -14.756 1.00 0.00 H new ATOM 0 HE2 PHE B 24 0.029 -4.397 -13.862 1.00 0.00 H new ATOM 0 HZ PHE B 24 -1.810 -5.999 -13.917 1.00 0.00 H new ATOM 877 N VAL B 25 -4.258 1.169 -17.945 1.00 0.00 N ATOM 878 CA VAL B 25 -4.131 2.440 -18.637 1.00 0.00 C ATOM 879 C VAL B 25 -4.752 3.546 -17.780 1.00 0.00 C ATOM 880 O VAL B 25 -5.934 3.858 -17.925 1.00 0.00 O ATOM 881 CB VAL B 25 -4.752 2.342 -20.031 1.00 0.00 C ATOM 882 CG1 VAL B 25 -6.246 2.025 -19.944 1.00 0.00 C ATOM 883 CG2 VAL B 25 -4.510 3.624 -20.831 1.00 0.00 C ATOM 0 H VAL B 25 -5.218 0.881 -17.755 1.00 0.00 H new ATOM 0 HA VAL B 25 -3.081 2.693 -18.783 1.00 0.00 H new ATOM 0 HB VAL B 25 -4.265 1.521 -20.558 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -6.663 1.961 -20.949 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -6.387 1.074 -19.431 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -6.754 2.815 -19.390 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -4.962 3.528 -21.818 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -4.958 4.469 -20.308 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -3.438 3.790 -20.937 1.00 0.00 H new ATOM 893 N LEU B 26 -3.929 4.109 -16.909 1.00 0.00 N ATOM 894 CA LEU B 26 -4.383 5.173 -16.029 1.00 0.00 C ATOM 895 C LEU B 26 -3.174 5.966 -15.529 1.00 0.00 C ATOM 896 O LEU B 26 -2.035 5.523 -15.668 1.00 0.00 O ATOM 897 CB LEU B 26 -5.254 4.605 -14.908 1.00 0.00 C ATOM 898 CG LEU B 26 -6.763 4.801 -15.067 1.00 0.00 C ATOM 899 CD1 LEU B 26 -7.462 3.468 -15.342 1.00 0.00 C ATOM 900 CD2 LEU B 26 -7.355 5.517 -13.851 1.00 0.00 C ATOM 0 H LEU B 26 -2.950 3.849 -16.793 1.00 0.00 H new ATOM 0 HA LEU B 26 -5.019 5.872 -16.572 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -5.053 3.537 -14.824 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -4.945 5.062 -13.968 1.00 0.00 H new ATOM 0 HG LEU B 26 -6.935 5.441 -15.933 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -8.534 3.635 -15.451 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -7.067 3.033 -16.260 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -7.284 2.785 -14.511 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -8.429 5.643 -13.990 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -7.173 4.924 -12.955 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -6.886 6.495 -13.740 1.00 0.00 H new HETATM 911 N DPR B 27 -3.470 7.155 -14.940 1.00 0.00 N HETATM 912 CA DPR B 27 -2.421 8.014 -14.417 1.00 0.00 C HETATM 913 CB DPR B 27 -3.131 8.977 -13.481 1.00 0.00 C HETATM 914 CG DPR B 27 -4.601 8.927 -13.867 1.00 0.00 C HETATM 915 CD DPR B 27 -4.807 7.712 -14.756 1.00 0.00 C HETATM 916 C DPR B 27 -1.676 8.721 -15.550 1.00 0.00 C HETATM 917 O DPR B 27 -0.864 9.612 -15.304 1.00 0.00 O HETATM 0 HG3 DPR B 27 -5.227 8.860 -12.977 1.00 0.00 H new HETATM 0 HG2 DPR B 27 -4.889 9.838 -14.392 1.00 0.00 H new HETATM 0 HD3 DPR B 27 -5.254 7.991 -15.710 1.00 0.00 H new HETATM 0 HD2 DPR B 27 -5.476 6.989 -14.289 1.00 0.00 H new HETATM 0 HB3 DPR B 27 -2.990 8.685 -12.440 1.00 0.00 H new HETATM 0 HB2 DPR B 27 -2.734 9.987 -13.585 1.00 0.00 H new HETATM 0 HA DPR B 27 -1.649 7.459 -13.884 1.00 0.00 H new ATOM 925 N GLY B 28 -1.979 8.298 -16.769 1.00 0.00 N ATOM 926 CA GLY B 28 -1.348 8.880 -17.942 1.00 0.00 C ATOM 927 C GLY B 28 -0.368 7.894 -18.583 1.00 0.00 C ATOM 928 O GLY B 28 0.174 8.162 -19.654 1.00 0.00 O ATOM 0 H GLY B 28 -2.653 7.559 -16.970 1.00 0.00 H new ATOM 0 HA2 GLY B 28 -2.111 9.163 -18.667 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -0.821 9.792 -17.661 1.00 0.00 H new ATOM 932 N TYR B 29 -0.172 6.776 -17.902 1.00 0.00 N ATOM 933 CA TYR B 29 0.732 5.751 -18.391 1.00 0.00 C ATOM 934 C TYR B 29 -0.008 4.429 -18.614 1.00 0.00 C ATOM 935 O TYR B 29 -1.135 4.259 -18.153 1.00 0.00 O ATOM 936 CB TYR B 29 1.782 5.554 -17.296 1.00 0.00 C ATOM 937 CG TYR B 29 2.583 6.817 -16.969 1.00 0.00 C ATOM 938 CD1 TYR B 29 2.868 7.730 -17.964 1.00 0.00 C ATOM 939 CD2 TYR B 29 3.020 7.043 -15.679 1.00 0.00 C ATOM 940 CE1 TYR B 29 3.621 8.918 -17.656 1.00 0.00 C ATOM 941 CE2 TYR B 29 3.773 8.230 -15.371 1.00 0.00 C ATOM 942 CZ TYR B 29 4.036 9.110 -16.375 1.00 0.00 C ATOM 943 OH TYR B 29 4.748 10.232 -16.084 1.00 0.00 O ATOM 0 H TYR B 29 -0.624 6.557 -17.014 1.00 0.00 H new ATOM 0 HA TYR B 29 1.172 6.051 -19.342 1.00 0.00 H new ATOM 0 HB2 TYR B 29 1.287 5.205 -16.390 1.00 0.00 H new ATOM 0 HB3 TYR B 29 2.472 4.768 -17.605 1.00 0.00 H new ATOM 0 HD1 TYR B 29 2.526 7.553 -18.973 1.00 0.00 H new ATOM 0 HD2 TYR B 29 2.797 6.328 -14.901 1.00 0.00 H new ATOM 0 HE1 TYR B 29 3.851 9.641 -18.425 1.00 0.00 H new ATOM 0 HE2 TYR B 29 4.121 8.418 -14.366 1.00 0.00 H new ATOM 0 HH TYR B 29 4.976 10.237 -15.131 1.00 0.00 H new ATOM 952 N LYS B 30 0.659 3.527 -19.320 1.00 0.00 N ATOM 953 CA LYS B 30 0.080 2.226 -19.608 1.00 0.00 C ATOM 954 C LYS B 30 1.114 1.136 -19.321 1.00 0.00 C ATOM 955 O LYS B 30 2.109 1.016 -20.033 1.00 0.00 O ATOM 956 CB LYS B 30 -0.470 2.190 -21.036 1.00 0.00 C ATOM 957 CG LYS B 30 -1.190 0.868 -21.313 1.00 0.00 C ATOM 958 CD LYS B 30 -1.246 0.579 -22.815 1.00 0.00 C ATOM 959 CE LYS B 30 -0.966 -0.899 -23.099 1.00 0.00 C ATOM 960 NZ LYS B 30 0.481 -1.184 -22.984 1.00 0.00 N ATOM 0 H LYS B 30 1.594 3.672 -19.701 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.773 2.036 -18.956 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -1.159 3.022 -21.185 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.346 2.320 -21.747 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.675 0.055 -20.801 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -2.201 0.909 -20.909 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -2.228 0.848 -23.205 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -0.515 1.198 -23.336 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -1.522 -1.522 -22.398 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -1.315 -1.156 -24.099 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 0.653 -2.191 -23.180 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 1.005 -0.603 -23.670 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 0.804 -0.958 -22.021 1.00 0.00 H new ATOM 969 N CYS B 31 0.842 0.370 -18.274 1.00 0.00 N ATOM 970 CA CYS B 31 1.738 -0.706 -17.883 1.00 0.00 C ATOM 971 C CYS B 31 1.059 -2.037 -18.209 1.00 0.00 C ATOM 972 O CYS B 31 -0.034 -2.317 -17.720 1.00 0.00 O ATOM 973 CB CYS B 31 2.126 -0.610 -16.406 1.00 0.00 C ATOM 974 SG CYS B 31 3.072 -2.040 -15.766 1.00 0.00 S ATOM 0 H CYS B 31 0.015 0.473 -17.685 1.00 0.00 H new ATOM 0 HA CYS B 31 2.671 -0.628 -18.442 1.00 0.00 H new ATOM 0 HB2 CYS B 31 2.717 0.294 -16.258 1.00 0.00 H new ATOM 0 HB3 CYS B 31 1.218 -0.498 -15.813 1.00 0.00 H new ATOM 978 N GLU B 32 1.736 -2.824 -19.033 1.00 0.00 N ATOM 979 CA GLU B 32 1.212 -4.120 -19.430 1.00 0.00 C ATOM 980 C GLU B 32 2.028 -5.243 -18.787 1.00 0.00 C ATOM 981 O GLU B 32 3.258 -5.226 -18.831 1.00 0.00 O ATOM 982 CB GLU B 32 1.193 -4.260 -20.954 1.00 0.00 C ATOM 983 CG GLU B 32 -0.178 -4.728 -21.445 1.00 0.00 C ATOM 984 CD GLU B 32 -0.058 -5.478 -22.773 1.00 0.00 C ATOM 985 OE1 GLU B 32 1.015 -6.015 -23.088 1.00 0.00 O ATOM 986 OE2 GLU B 32 -1.130 -5.492 -23.490 1.00 0.00 O ATOM 0 H GLU B 32 2.643 -2.589 -19.436 1.00 0.00 H new ATOM 0 HA GLU B 32 0.184 -4.197 -19.077 1.00 0.00 H new ATOM 0 HB2 GLU B 32 1.441 -3.303 -21.414 1.00 0.00 H new ATOM 0 HB3 GLU B 32 1.957 -4.971 -21.267 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -0.634 -5.376 -20.697 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -0.837 -3.869 -21.567 1.00 0.00 H new ATOM 992 N ILE B 33 1.312 -6.192 -18.203 1.00 0.00 N ATOM 993 CA ILE B 33 1.954 -7.320 -17.550 1.00 0.00 C ATOM 994 C ILE B 33 1.306 -8.619 -18.034 1.00 0.00 C ATOM 995 O ILE B 33 0.173 -8.612 -18.513 1.00 0.00 O ATOM 996 CB ILE B 33 1.924 -7.147 -16.030 1.00 0.00 C ATOM 997 CG1 ILE B 33 0.496 -7.262 -15.492 1.00 0.00 C ATOM 998 CG2 ILE B 33 2.590 -5.834 -15.614 1.00 0.00 C ATOM 999 CD1 ILE B 33 0.496 -7.700 -14.027 1.00 0.00 C ATOM 0 H ILE B 33 0.293 -6.203 -18.168 1.00 0.00 H new ATOM 0 HA ILE B 33 3.009 -7.368 -17.821 1.00 0.00 H new ATOM 0 HB ILE B 33 2.502 -7.956 -15.583 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -0.011 -6.302 -15.588 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.065 -7.980 -16.090 1.00 0.00 H new ATOM 0 HG21 ILE B 33 2.555 -5.736 -14.529 1.00 0.00 H new ATOM 0 HG22 ILE B 33 3.628 -5.832 -15.945 1.00 0.00 H new ATOM 0 HG23 ILE B 33 2.062 -4.997 -16.071 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -0.531 -7.774 -13.669 1.00 0.00 H new ATOM 0 HD12 ILE B 33 0.982 -8.671 -13.938 1.00 0.00 H new ATOM 0 HD13 ILE B 33 1.037 -6.967 -13.428 1.00 0.00 H new ATOM 1010 N LEU B 34 2.055 -9.703 -17.895 1.00 0.00 N ATOM 1011 CA LEU B 34 1.569 -11.007 -18.311 1.00 0.00 C ATOM 1012 C LEU B 34 1.303 -11.867 -17.074 1.00 0.00 C ATOM 1013 O LEU B 34 2.151 -11.967 -16.188 1.00 0.00 O ATOM 1014 CB LEU B 34 2.537 -11.647 -19.309 1.00 0.00 C ATOM 1015 CG LEU B 34 2.130 -11.570 -20.781 1.00 0.00 C ATOM 1016 CD1 LEU B 34 2.370 -10.167 -21.344 1.00 0.00 C ATOM 1017 CD2 LEU B 34 2.843 -12.645 -21.603 1.00 0.00 C ATOM 0 H LEU B 34 2.995 -9.705 -17.500 1.00 0.00 H new ATOM 0 HA LEU B 34 0.621 -10.908 -18.840 1.00 0.00 H new ATOM 0 HB2 LEU B 34 3.511 -11.171 -19.196 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.662 -12.696 -19.042 1.00 0.00 H new ATOM 0 HG LEU B 34 1.060 -11.767 -20.850 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.072 -10.140 -22.392 1.00 0.00 H new ATOM 0 HD12 LEU B 34 1.781 -9.443 -20.781 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.428 -9.918 -21.261 1.00 0.00 H new ATOM 0 HD21 LEU B 34 2.536 -12.569 -22.646 1.00 0.00 H new ATOM 0 HD22 LEU B 34 3.921 -12.503 -21.531 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.580 -13.631 -21.219 1.00 0.00 H new ATOM 1028 N ALA B 35 0.122 -12.468 -17.052 1.00 0.00 N ATOM 1029 CA ALA B 35 -0.265 -13.316 -15.938 1.00 0.00 C ATOM 1030 C ALA B 35 -0.764 -14.659 -16.476 1.00 0.00 C ATOM 1031 O ALA B 35 -1.520 -14.703 -17.445 1.00 0.00 O ATOM 1032 CB ALA B 35 -1.319 -12.599 -15.093 1.00 0.00 C ATOM 0 H ALA B 35 -0.579 -12.384 -17.788 1.00 0.00 H new ATOM 0 HA ALA B 35 0.590 -13.516 -15.292 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -1.610 -13.235 -14.257 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -0.906 -11.665 -14.712 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -2.194 -12.385 -15.707 1.00 0.00 H new TER 1038 ALA B 35