USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 0 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: B 48 SER OG : rot -127:sc= 1.27 USER MOD Set 1.2: B 56 LYS NZ :NH3+ -170:sc= -3.94! (180deg=-3.99!) USER MOD Set 2.1: B 19 TYR OH : rot 180:sc= -0.207 USER MOD Set 2.2: B 64 MET CE :methyl 137:sc= -5.19! (180deg=-7.73!) USER MOD Set 3.1: A 14 HIS :FLIP no HD1:sc= -4.9! C(o=-13!,f=-8.3!) USER MOD Set 3.2: A 19 GLN : amide:sc= -3.35 K(o=-8.3,f=-14!) USER MOD Single : A 1 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.26) USER MOD Single : A 1 GLN N :NH3+ -156:sc= -2.69! (180deg=-4.17!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.463 K(o=-0.46,f=-1.2) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.117 F(o=-0.73,f=-0.12) USER MOD Single : A 11 GLN : amide:sc= -4.09! C(o=-4.1!,f=-6.7!) USER MOD Single : A 13 GLN : amide:sc= -0.237 K(o=-0.24,f=-1.8!) USER MOD Single : A 20 GLN : amide:sc= -0.709 K(o=-0.71,f=-5.4!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -2.75! C(o=-2.7!,f=-3.6!) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 16 ASN :FLIP amide:sc= -2.3 F(o=-6.2!,f=-2.3) USER MOD Single : B 20 GLN : amide:sc=-0.00265 X(o=-0.0026,f=0) USER MOD Single : B 23 GLN : amide:sc= -3.58! C(o=-3.6!,f=-3.7!) USER MOD Single : B 29 THR OG1 : rot -120:sc= 0.696 USER MOD Single : B 31 LYS NZ :NH3+ -172:sc= -0.359 (180deg=-0.543) USER MOD Single : B 32 GLN : amide:sc=-0.00306 X(o=-0.0031,f=-0.079) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.28 K(o=-0.28,f=-2.4!) USER MOD Single : B 42 GLN : amide:sc= -0.0836 X(o=-0.084,f=0) USER MOD Single : B 43 HIS :FLIP no HD1:sc= -1.15 F(o=-1.9,f=-1.1) USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 52 TYR OH : rot -149:sc= 0.217! USER MOD Single : B 53 GLN : amide:sc= -0.0106 X(o=-0.011,f=-0.0073) USER MOD Single : B 57 ASN :FLIP amide:sc= -15.5! C(o=-22!,f=-15!) USER MOD Single : B 60 ASN : amide:sc= -2.35! C(o=-2.3!,f=-3.5!) USER MOD Single : B 63 ASN : amide:sc= -1.18! C(o=-1.2!,f=-2.9!) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc= -6! C(o=-6!,f=-6.9!) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0.0996 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 2.408 0.660 14.195 1.00 0.00 N ATOM 2 CA GLN A 1 3.316 1.004 13.114 1.00 0.00 C ATOM 3 C GLN A 1 4.527 0.069 13.120 1.00 0.00 C ATOM 4 O GLN A 1 5.630 0.479 13.480 1.00 0.00 O ATOM 5 CB GLN A 1 3.752 2.467 13.207 1.00 0.00 C ATOM 6 CG GLN A 1 2.657 3.326 13.844 1.00 0.00 C ATOM 7 CD GLN A 1 2.886 3.478 15.350 1.00 0.00 C ATOM 8 OE1 GLN A 1 3.942 3.886 15.805 1.00 0.00 O ATOM 9 NE2 GLN A 1 1.841 3.128 16.094 1.00 0.00 N ATOM 0 H1 GLN A 1 1.449 0.988 13.961 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.398 -0.372 14.325 1.00 0.00 H new ATOM 0 H3 GLN A 1 2.725 1.117 15.074 1.00 0.00 H new ATOM 0 HA GLN A 1 2.788 0.877 12.169 1.00 0.00 H new ATOM 0 HB2 GLN A 1 4.666 2.541 13.796 1.00 0.00 H new ATOM 0 HB3 GLN A 1 3.983 2.845 12.211 1.00 0.00 H new ATOM 0 HG2 GLN A 1 2.641 4.309 13.374 1.00 0.00 H new ATOM 0 HG3 GLN A 1 1.683 2.871 13.665 1.00 0.00 H new ATOM 0 HE21 GLN A 1 0.986 2.794 15.648 1.00 0.00 H new ATOM 0 HE22 GLN A 1 1.894 3.193 17.111 1.00 0.00 H new ATOM 10 N PRO A 2 4.275 -1.202 12.707 1.00 0.00 N ATOM 11 CA PRO A 2 5.332 -2.198 12.663 1.00 0.00 C ATOM 12 C PRO A 2 6.261 -1.959 11.471 1.00 0.00 C ATOM 13 O PRO A 2 5.801 -1.806 10.340 1.00 0.00 O ATOM 14 CB PRO A 2 4.610 -3.534 12.594 1.00 0.00 C ATOM 15 CG PRO A 2 3.195 -3.221 12.135 1.00 0.00 C ATOM 16 CD PRO A 2 2.981 -1.722 12.274 1.00 0.00 C ATOM 0 HA PRO A 2 5.985 -2.157 13.535 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.106 -4.210 11.897 1.00 0.00 H new ATOM 0 HB3 PRO A 2 4.605 -4.026 13.567 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.051 -3.533 11.100 1.00 0.00 H new ATOM 0 HG3 PRO A 2 2.469 -3.768 12.736 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.671 -1.277 11.328 1.00 0.00 H new ATOM 0 HD3 PRO A 2 2.201 -1.499 13.002 1.00 0.00 H new ATOM 17 N GLN A 3 7.553 -1.932 11.765 1.00 0.00 N ATOM 18 CA GLN A 3 8.550 -1.714 10.732 1.00 0.00 C ATOM 19 C GLN A 3 8.763 -2.994 9.920 1.00 0.00 C ATOM 20 O GLN A 3 8.916 -2.941 8.700 1.00 0.00 O ATOM 21 CB GLN A 3 9.868 -1.224 11.336 1.00 0.00 C ATOM 22 CG GLN A 3 10.419 -0.029 10.555 1.00 0.00 C ATOM 23 CD GLN A 3 10.657 1.167 11.478 1.00 0.00 C ATOM 24 OE1 GLN A 3 11.780 1.514 11.810 1.00 0.00 O ATOM 25 NE2 GLN A 3 9.544 1.776 11.873 1.00 0.00 N ATOM 0 H GLN A 3 7.932 -2.058 12.704 1.00 0.00 H new ATOM 0 HA GLN A 3 8.184 -0.937 10.061 1.00 0.00 H new ATOM 0 HB2 GLN A 3 9.712 -0.942 12.377 1.00 0.00 H new ATOM 0 HB3 GLN A 3 10.598 -2.034 11.331 1.00 0.00 H new ATOM 0 HG2 GLN A 3 11.353 -0.308 10.068 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.719 0.249 9.767 1.00 0.00 H new ATOM 0 HE21 GLN A 3 8.636 1.434 11.558 1.00 0.00 H new ATOM 0 HE22 GLN A 3 9.597 2.585 12.491 1.00 0.00 H new ATOM 26 N LYS A 4 8.766 -4.113 10.629 1.00 0.00 N ATOM 27 CA LYS A 4 8.958 -5.404 9.990 1.00 0.00 C ATOM 28 C LYS A 4 8.121 -5.463 8.709 1.00 0.00 C ATOM 29 O LYS A 4 8.612 -5.881 7.662 1.00 0.00 O ATOM 30 CB LYS A 4 8.659 -6.537 10.972 1.00 0.00 C ATOM 31 CG LYS A 4 7.499 -6.168 11.899 1.00 0.00 C ATOM 32 CD LYS A 4 7.990 -5.943 13.330 1.00 0.00 C ATOM 33 CE LYS A 4 7.989 -7.250 14.123 1.00 0.00 C ATOM 34 NZ LYS A 4 6.623 -7.564 14.602 1.00 0.00 N ATOM 0 H LYS A 4 8.638 -4.153 11.640 1.00 0.00 H new ATOM 0 HA LYS A 4 10.000 -5.534 9.697 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.414 -7.445 10.421 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.548 -6.753 11.565 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.009 -5.266 11.533 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.753 -6.963 11.888 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.997 -5.526 13.311 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.352 -5.212 13.826 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.357 -8.063 13.497 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.669 -7.168 14.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.640 -8.455 15.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.285 -6.796 15.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.984 -7.662 13.788 1.00 0.00 H new ATOM 35 N CYS A 5 6.873 -5.038 8.836 1.00 0.00 N ATOM 36 CA CYS A 5 5.964 -5.037 7.702 1.00 0.00 C ATOM 37 C CYS A 5 6.574 -4.171 6.599 1.00 0.00 C ATOM 38 O CYS A 5 7.039 -4.689 5.585 1.00 0.00 O ATOM 39 CB CYS A 5 4.566 -4.556 8.098 1.00 0.00 C ATOM 40 SG CYS A 5 3.223 -5.758 7.783 1.00 0.00 S ATOM 0 H CYS A 5 6.470 -4.692 9.707 1.00 0.00 H new ATOM 0 HA CYS A 5 5.836 -6.055 7.334 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.570 -4.307 9.159 1.00 0.00 H new ATOM 0 HB3 CYS A 5 4.346 -3.637 7.555 1.00 0.00 H new ATOM 41 N GLN A 6 6.551 -2.867 6.833 1.00 0.00 N ATOM 42 CA GLN A 6 7.096 -1.924 5.871 1.00 0.00 C ATOM 43 C GLN A 6 8.413 -2.452 5.298 1.00 0.00 C ATOM 44 O GLN A 6 8.621 -2.430 4.086 1.00 0.00 O ATOM 45 CB GLN A 6 7.288 -0.544 6.503 1.00 0.00 C ATOM 46 CG GLN A 6 6.703 -0.503 7.917 1.00 0.00 C ATOM 47 CD GLN A 6 6.950 0.857 8.572 1.00 0.00 C ATOM 48 OE1 GLN A 6 7.947 1.519 8.333 1.00 0.00 O ATOM 49 NE2 GLN A 6 5.990 1.235 9.411 1.00 0.00 N ATOM 0 H GLN A 6 6.163 -2.441 7.675 1.00 0.00 H new ATOM 0 HA GLN A 6 6.383 -1.817 5.054 1.00 0.00 H new ATOM 0 HB2 GLN A 6 8.350 -0.300 6.538 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.807 0.214 5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.632 -0.703 7.878 1.00 0.00 H new ATOM 0 HG3 GLN A 6 7.152 -1.290 8.523 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.181 0.633 9.566 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.062 2.127 9.900 1.00 0.00 H new ATOM 50 N ARG A 7 9.269 -2.915 6.198 1.00 0.00 N ATOM 51 CA ARG A 7 10.561 -3.447 5.796 1.00 0.00 C ATOM 52 C ARG A 7 10.377 -4.737 4.993 1.00 0.00 C ATOM 53 O ARG A 7 11.090 -4.971 4.018 1.00 0.00 O ATOM 54 CB ARG A 7 11.440 -3.737 7.015 1.00 0.00 C ATOM 55 CG ARG A 7 12.118 -2.460 7.516 1.00 0.00 C ATOM 56 CD ARG A 7 13.553 -2.360 6.996 1.00 0.00 C ATOM 57 NE ARG A 7 14.404 -3.373 7.660 1.00 0.00 N ATOM 58 CZ ARG A 7 15.747 -3.431 7.536 1.00 0.00 C ATOM 59 NH1 ARG A 7 16.404 -2.533 6.772 1.00 0.00 N ATOM 60 NH2 ARG A 7 16.408 -4.379 8.175 1.00 0.00 N ATOM 0 H ARG A 7 9.094 -2.933 7.203 1.00 0.00 H new ATOM 0 HA ARG A 7 11.051 -2.695 5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.833 -4.168 7.812 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.197 -4.477 6.755 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.548 -1.590 7.190 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.121 -2.449 8.606 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.569 -2.511 5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.948 -1.362 7.184 1.00 0.00 H new ATOM 0 HE ARG A 7 13.947 -4.070 8.248 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.886 -1.803 6.283 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.419 -2.584 6.684 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.904 -5.053 8.751 1.00 0.00 H new ATOM 0 HH22 ARG A 7 17.423 -4.437 8.092 1.00 0.00 H new ATOM 61 N GLU A 8 9.417 -5.537 5.430 1.00 0.00 N ATOM 62 CA GLU A 8 9.131 -6.796 4.763 1.00 0.00 C ATOM 63 C GLU A 8 8.771 -6.550 3.297 1.00 0.00 C ATOM 64 O GLU A 8 9.556 -6.856 2.401 1.00 0.00 O ATOM 65 CB GLU A 8 8.014 -7.556 5.482 1.00 0.00 C ATOM 66 CG GLU A 8 8.551 -8.281 6.718 1.00 0.00 C ATOM 67 CD GLU A 8 8.492 -9.799 6.531 1.00 0.00 C ATOM 68 OE1 GLU A 8 8.548 -10.229 5.359 1.00 0.00 O ATOM 69 OE2 GLU A 8 8.394 -10.494 7.565 1.00 0.00 O ATOM 0 H GLU A 8 8.827 -5.338 6.238 1.00 0.00 H new ATOM 0 HA GLU A 8 10.027 -7.415 4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.228 -6.861 5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.563 -8.277 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.580 -7.974 6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.968 -7.996 7.594 1.00 0.00 H new ATOM 70 N PHE A 9 7.582 -6.000 3.097 1.00 0.00 N ATOM 71 CA PHE A 9 7.107 -5.709 1.755 1.00 0.00 C ATOM 72 C PHE A 9 8.226 -5.119 0.894 1.00 0.00 C ATOM 73 O PHE A 9 8.330 -5.426 -0.293 1.00 0.00 O ATOM 74 CB PHE A 9 5.986 -4.678 1.890 1.00 0.00 C ATOM 75 CG PHE A 9 6.354 -3.287 1.367 1.00 0.00 C ATOM 76 CD1 PHE A 9 6.636 -3.109 0.048 1.00 0.00 C ATOM 77 CD2 PHE A 9 6.397 -2.229 2.221 1.00 0.00 C ATOM 78 CE1 PHE A 9 6.977 -1.818 -0.437 1.00 0.00 C ATOM 79 CE2 PHE A 9 6.737 -0.939 1.736 1.00 0.00 C ATOM 80 CZ PHE A 9 7.020 -0.761 0.417 1.00 0.00 C ATOM 0 H PHE A 9 6.933 -5.748 3.843 1.00 0.00 H new ATOM 0 HA PHE A 9 6.761 -6.625 1.276 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.109 -5.037 1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.705 -4.598 2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.601 -3.949 -0.630 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.172 -2.371 3.268 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.202 -1.676 -1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.771 -0.099 2.414 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.279 0.221 0.048 1.00 0.00 H new ATOM 81 N GLN A 10 9.036 -4.281 1.526 1.00 0.00 N ATOM 82 CA GLN A 10 10.144 -3.645 0.833 1.00 0.00 C ATOM 83 C GLN A 10 11.193 -4.687 0.439 1.00 0.00 C ATOM 84 O GLN A 10 11.742 -4.636 -0.661 1.00 0.00 O ATOM 85 CB GLN A 10 10.764 -2.540 1.689 1.00 0.00 C ATOM 86 CG GLN A 10 10.869 -1.231 0.904 1.00 0.00 C ATOM 87 CD GLN A 10 12.277 -0.642 1.003 1.00 0.00 C ATOM 88 OE1 GLN A 10 12.833 -0.771 2.205 1.00 0.00 O flip ATOM 89 NE2 GLN A 10 12.823 -0.107 0.053 1.00 0.00 N flip ATOM 0 H GLN A 10 8.947 -4.028 2.510 1.00 0.00 H new ATOM 0 HA GLN A 10 9.760 -3.183 -0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.159 -2.385 2.582 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.755 -2.847 2.024 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.619 -1.409 -0.142 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.143 -0.514 1.288 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.339 -0.041 -0.843 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.763 0.275 0.154 1.00 0.00 H new ATOM 90 N GLN A 11 11.438 -5.610 1.357 1.00 0.00 N ATOM 91 CA GLN A 11 12.411 -6.663 1.120 1.00 0.00 C ATOM 92 C GLN A 11 11.837 -7.708 0.161 1.00 0.00 C ATOM 93 O GLN A 11 12.558 -8.248 -0.677 1.00 0.00 O ATOM 94 CB GLN A 11 12.853 -7.308 2.434 1.00 0.00 C ATOM 95 CG GLN A 11 12.073 -8.596 2.703 1.00 0.00 C ATOM 96 CD GLN A 11 12.632 -9.757 1.876 1.00 0.00 C ATOM 97 OE1 GLN A 11 11.926 -10.424 1.138 1.00 0.00 O ATOM 98 NE2 GLN A 11 13.936 -9.960 2.042 1.00 0.00 N ATOM 0 H GLN A 11 10.979 -5.651 2.267 1.00 0.00 H new ATOM 0 HA GLN A 11 13.293 -6.219 0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 11 13.920 -7.527 2.395 1.00 0.00 H new ATOM 0 HB3 GLN A 11 12.701 -6.608 3.256 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.124 -8.842 3.764 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.021 -8.446 2.461 1.00 0.00 H new ATOM 0 HE21 GLN A 11 14.468 -9.364 2.676 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.404 -10.712 1.535 1.00 0.00 H new ATOM 99 N GLU A 12 10.547 -7.964 0.317 1.00 0.00 N ATOM 100 CA GLU A 12 9.869 -8.936 -0.524 1.00 0.00 C ATOM 101 C GLU A 12 9.967 -8.525 -1.994 1.00 0.00 C ATOM 102 O GLU A 12 10.891 -8.934 -2.695 1.00 0.00 O ATOM 103 CB GLU A 12 8.409 -9.105 -0.098 1.00 0.00 C ATOM 104 CG GLU A 12 8.297 -10.014 1.128 1.00 0.00 C ATOM 105 CD GLU A 12 8.582 -11.470 0.758 1.00 0.00 C ATOM 106 OE1 GLU A 12 8.336 -11.817 -0.418 1.00 0.00 O ATOM 107 OE2 GLU A 12 9.039 -12.207 1.659 1.00 0.00 O ATOM 0 H GLU A 12 9.953 -7.515 1.014 1.00 0.00 H new ATOM 0 HA GLU A 12 10.363 -9.900 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.977 -8.130 0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.833 -9.527 -0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.999 -9.686 1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.298 -9.933 1.556 1.00 0.00 H new ATOM 108 N GLN A 13 9.002 -7.722 -2.417 1.00 0.00 N ATOM 109 CA GLN A 13 8.968 -7.252 -3.792 1.00 0.00 C ATOM 110 C GLN A 13 7.701 -6.432 -4.041 1.00 0.00 C ATOM 111 O GLN A 13 6.849 -6.827 -4.836 1.00 0.00 O ATOM 112 CB GLN A 13 9.068 -8.420 -4.774 1.00 0.00 C ATOM 113 CG GLN A 13 8.122 -9.554 -4.374 1.00 0.00 C ATOM 114 CD GLN A 13 8.843 -10.904 -4.399 1.00 0.00 C ATOM 115 OE1 GLN A 13 9.900 -11.061 -4.985 1.00 0.00 O ATOM 116 NE2 GLN A 13 8.212 -11.866 -3.731 1.00 0.00 N ATOM 0 H GLN A 13 8.238 -7.385 -1.832 1.00 0.00 H new ATOM 0 HA GLN A 13 9.832 -6.608 -3.957 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.825 -8.076 -5.780 1.00 0.00 H new ATOM 0 HB3 GLN A 13 10.093 -8.789 -4.802 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.726 -9.367 -3.376 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.271 -9.580 -5.054 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.329 -11.666 -3.262 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.612 -12.803 -3.688 1.00 0.00 H new ATOM 117 N HIS A 14 7.615 -5.307 -3.347 1.00 0.00 N ATOM 118 CA HIS A 14 6.465 -4.429 -3.484 1.00 0.00 C ATOM 119 C HIS A 14 5.501 -5.003 -4.524 1.00 0.00 C ATOM 120 O HIS A 14 5.837 -5.093 -5.704 1.00 0.00 O ATOM 121 CB HIS A 14 6.908 -3.002 -3.811 1.00 0.00 C ATOM 122 CG HIS A 14 8.323 -2.685 -3.389 1.00 0.00 C ATOM 123 ND1 HIS A 14 9.027 -3.057 -2.282 1.00 0.00 N flip ATOM 124 CD2 HIS A 14 9.173 -1.898 -4.147 1.00 0.00 C flip ATOM 125 CE1 HIS A 14 10.242 -2.527 -2.359 1.00 0.00 C flip ATOM 126 NE2 HIS A 14 10.334 -1.808 -3.515 1.00 0.00 N flip ATOM 0 H HIS A 14 8.323 -4.983 -2.688 1.00 0.00 H new ATOM 0 HA HIS A 14 5.930 -4.374 -2.536 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.816 -2.841 -4.885 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.229 -2.302 -3.324 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.931 -1.436 -5.093 1.00 0.00 H new ATOM 0 HE1 HIS A 14 11.028 -2.645 -1.627 1.00 0.00 H new ATOM 0 HE2 HIS A 14 11.153 -1.292 -3.836 1.00 0.00 H new ATOM 127 N LEU A 15 4.324 -5.379 -4.048 1.00 0.00 N ATOM 128 CA LEU A 15 3.308 -5.943 -4.921 1.00 0.00 C ATOM 129 C LEU A 15 3.433 -5.316 -6.311 1.00 0.00 C ATOM 130 O LEU A 15 3.904 -4.187 -6.448 1.00 0.00 O ATOM 131 CB LEU A 15 1.920 -5.787 -4.298 1.00 0.00 C ATOM 132 CG LEU A 15 1.826 -4.852 -3.091 1.00 0.00 C ATOM 133 CD1 LEU A 15 2.410 -5.510 -1.840 1.00 0.00 C ATOM 134 CD2 LEU A 15 2.485 -3.504 -3.391 1.00 0.00 C ATOM 0 H LEU A 15 4.050 -5.304 -3.068 1.00 0.00 H new ATOM 0 HA LEU A 15 3.459 -7.016 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.238 -5.425 -5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.566 -6.773 -3.997 1.00 0.00 H new ATOM 0 HG LEU A 15 0.772 -4.658 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.330 -4.824 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.858 -6.423 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.459 -5.753 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.405 -2.857 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.537 -3.659 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.984 -3.034 -4.237 1.00 0.00 H new ATOM 135 N ARG A 16 3.002 -6.074 -7.308 1.00 0.00 N ATOM 136 CA ARG A 16 3.058 -5.608 -8.683 1.00 0.00 C ATOM 137 C ARG A 16 1.748 -4.914 -9.062 1.00 0.00 C ATOM 138 O ARG A 16 1.733 -3.715 -9.339 1.00 0.00 O ATOM 139 CB ARG A 16 3.312 -6.767 -9.648 1.00 0.00 C ATOM 140 CG ARG A 16 4.606 -7.502 -9.293 1.00 0.00 C ATOM 141 CD ARG A 16 4.893 -8.621 -10.297 1.00 0.00 C ATOM 142 NE ARG A 16 5.717 -8.101 -11.411 1.00 0.00 N ATOM 143 CZ ARG A 16 5.867 -8.724 -12.588 1.00 0.00 C ATOM 144 NH1 ARG A 16 5.250 -9.893 -12.811 1.00 0.00 N ATOM 145 NH2 ARG A 16 6.634 -8.178 -13.541 1.00 0.00 N ATOM 0 H ARG A 16 2.612 -7.009 -7.191 1.00 0.00 H new ATOM 0 HA ARG A 16 3.883 -4.900 -8.760 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.474 -7.463 -9.615 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.373 -6.389 -10.668 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.437 -6.797 -9.281 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.528 -7.920 -8.289 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.412 -9.441 -9.801 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.957 -9.024 -10.683 1.00 0.00 H new ATOM 0 HE ARG A 16 6.201 -7.213 -11.274 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.666 -10.308 -12.085 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.364 -10.367 -13.707 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.103 -7.289 -13.371 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.749 -8.652 -14.437 1.00 0.00 H new ATOM 146 N ALA A 17 0.680 -5.697 -9.063 1.00 0.00 N ATOM 147 CA ALA A 17 -0.632 -5.174 -9.404 1.00 0.00 C ATOM 148 C ALA A 17 -0.780 -3.764 -8.828 1.00 0.00 C ATOM 149 O ALA A 17 -1.229 -2.851 -9.520 1.00 0.00 O ATOM 150 CB ALA A 17 -1.712 -6.129 -8.892 1.00 0.00 C ATOM 0 H ALA A 17 0.696 -6.691 -8.833 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.747 -5.102 -10.486 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.696 -5.736 -9.148 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.581 -7.108 -9.353 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.630 -6.224 -7.809 1.00 0.00 H new ATOM 151 N CYS A 18 -0.393 -3.631 -7.568 1.00 0.00 N ATOM 152 CA CYS A 18 -0.476 -2.348 -6.891 1.00 0.00 C ATOM 153 C CYS A 18 0.707 -1.489 -7.341 1.00 0.00 C ATOM 154 O CYS A 18 0.541 -0.313 -7.657 1.00 0.00 O ATOM 155 CB CYS A 18 -0.516 -2.513 -5.370 1.00 0.00 C ATOM 156 SG CYS A 18 -1.943 -3.471 -4.740 1.00 0.00 S ATOM 0 H CYS A 18 -0.021 -4.391 -6.998 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.408 -1.851 -7.162 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.403 -3.002 -5.047 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.529 -1.524 -4.911 1.00 0.00 H new ATOM 157 N GLN A 19 1.877 -2.112 -7.356 1.00 0.00 N ATOM 158 CA GLN A 19 3.089 -1.420 -7.762 1.00 0.00 C ATOM 159 C GLN A 19 2.771 -0.385 -8.843 1.00 0.00 C ATOM 160 O GLN A 19 3.388 0.678 -8.889 1.00 0.00 O ATOM 161 CB GLN A 19 4.150 -2.410 -8.245 1.00 0.00 C ATOM 162 CG GLN A 19 5.388 -2.368 -7.348 1.00 0.00 C ATOM 163 CD GLN A 19 6.406 -1.350 -7.866 1.00 0.00 C ATOM 164 OE1 GLN A 19 6.196 -0.673 -8.859 1.00 0.00 O ATOM 165 NE2 GLN A 19 7.518 -1.279 -7.140 1.00 0.00 N ATOM 0 H GLN A 19 2.011 -3.088 -7.093 1.00 0.00 H new ATOM 0 HA GLN A 19 3.495 -0.899 -6.895 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.736 -3.418 -8.252 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.432 -2.174 -9.271 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.095 -2.110 -6.330 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.845 -3.357 -7.307 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.630 -1.874 -6.320 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.259 -0.629 -7.404 1.00 0.00 H new ATOM 166 N GLN A 20 1.810 -0.732 -9.686 1.00 0.00 N ATOM 167 CA GLN A 20 1.403 0.154 -10.764 1.00 0.00 C ATOM 168 C GLN A 20 1.327 1.597 -10.263 1.00 0.00 C ATOM 169 O GLN A 20 2.089 2.454 -10.708 1.00 0.00 O ATOM 170 CB GLN A 20 0.068 -0.290 -11.364 1.00 0.00 C ATOM 171 CG GLN A 20 0.265 -0.889 -12.757 1.00 0.00 C ATOM 172 CD GLN A 20 0.721 -2.347 -12.668 1.00 0.00 C ATOM 173 OE1 GLN A 20 0.949 -2.888 -11.599 1.00 0.00 O ATOM 174 NE2 GLN A 20 0.839 -2.950 -13.848 1.00 0.00 N ATOM 0 H GLN A 20 1.301 -1.615 -9.645 1.00 0.00 H new ATOM 0 HA GLN A 20 2.153 0.103 -11.554 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.401 -1.026 -10.711 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.609 0.562 -11.423 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.668 -0.830 -13.317 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.004 -0.306 -13.306 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.632 -2.438 -14.705 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.136 -3.925 -13.895 1.00 0.00 H new ATOM 175 N TRP A 21 0.399 1.823 -9.345 1.00 0.00 N ATOM 176 CA TRP A 21 0.214 3.149 -8.779 1.00 0.00 C ATOM 177 C TRP A 21 1.359 3.410 -7.798 1.00 0.00 C ATOM 178 O TRP A 21 2.239 4.226 -8.069 1.00 0.00 O ATOM 179 CB TRP A 21 -1.167 3.281 -8.133 1.00 0.00 C ATOM 180 CG TRP A 21 -1.190 4.171 -6.888 1.00 0.00 C ATOM 181 CD1 TRP A 21 -1.070 5.503 -6.825 1.00 0.00 C ATOM 182 CD2 TRP A 21 -1.348 3.733 -5.523 1.00 0.00 C ATOM 183 NE1 TRP A 21 -1.139 5.955 -5.522 1.00 0.00 N ATOM 184 CE2 TRP A 21 -1.314 4.845 -4.706 1.00 0.00 C ATOM 185 CE3 TRP A 21 -1.515 2.441 -4.994 1.00 0.00 C ATOM 186 CZ2 TRP A 21 -1.440 4.778 -3.312 1.00 0.00 C ATOM 187 CZ3 TRP A 21 -1.640 2.390 -3.601 1.00 0.00 C ATOM 188 CH2 TRP A 21 -1.607 3.501 -2.764 1.00 0.00 C ATOM 0 H TRP A 21 -0.233 1.111 -8.979 1.00 0.00 H new ATOM 0 HA TRP A 21 0.245 3.909 -9.560 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.863 3.684 -8.868 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -1.527 2.288 -7.864 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.936 6.143 -7.685 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -1.073 6.926 -5.215 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.545 1.557 -5.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -1.410 5.663 -2.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -1.771 1.420 -3.144 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -1.710 3.378 -1.696 1.00 0.00 H new ATOM 189 N ILE A 22 1.311 2.701 -6.680 1.00 0.00 N ATOM 190 CA ILE A 22 2.333 2.845 -5.657 1.00 0.00 C ATOM 191 C ILE A 22 3.601 3.425 -6.289 1.00 0.00 C ATOM 192 O ILE A 22 4.224 4.324 -5.726 1.00 0.00 O ATOM 193 CB ILE A 22 2.559 1.517 -4.933 1.00 0.00 C ATOM 194 CG1 ILE A 22 4.049 1.272 -4.688 1.00 0.00 C ATOM 195 CG2 ILE A 22 1.906 0.360 -5.693 1.00 0.00 C ATOM 196 CD1 ILE A 22 4.742 0.782 -5.961 1.00 0.00 C ATOM 0 H ILE A 22 0.580 2.025 -6.460 1.00 0.00 H new ATOM 0 HA ILE A 22 2.008 3.547 -4.889 1.00 0.00 H new ATOM 0 HB ILE A 22 2.077 1.575 -3.957 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.521 2.193 -4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.174 0.535 -3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.082 -0.573 -5.157 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.833 0.536 -5.773 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.337 0.291 -6.692 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.800 0.616 -5.758 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.284 -0.152 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.636 1.532 -6.745 1.00 0.00 H new ATOM 197 N ARG A 23 3.946 2.885 -7.449 1.00 0.00 N ATOM 198 CA ARG A 23 5.127 3.338 -8.163 1.00 0.00 C ATOM 199 C ARG A 23 4.782 4.523 -9.067 1.00 0.00 C ATOM 200 O ARG A 23 5.367 5.597 -8.940 1.00 0.00 O ATOM 201 CB ARG A 23 5.722 2.212 -9.013 1.00 0.00 C ATOM 202 CG ARG A 23 6.856 2.734 -9.898 1.00 0.00 C ATOM 203 CD ARG A 23 7.576 1.582 -10.602 1.00 0.00 C ATOM 204 NE ARG A 23 7.765 1.904 -12.034 1.00 0.00 N ATOM 205 CZ ARG A 23 8.495 1.163 -12.880 1.00 0.00 C ATOM 206 NH1 ARG A 23 9.108 0.056 -12.443 1.00 0.00 N ATOM 207 NH2 ARG A 23 8.611 1.532 -14.163 1.00 0.00 N ATOM 0 H ARG A 23 3.428 2.138 -7.912 1.00 0.00 H new ATOM 0 HA ARG A 23 5.864 3.647 -7.421 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.097 1.421 -8.364 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.943 1.771 -9.636 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.455 3.424 -10.640 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.567 3.295 -9.291 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.542 1.403 -10.130 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.997 0.664 -10.500 1.00 0.00 H new ATOM 0 HE ARG A 23 7.312 2.741 -12.400 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.020 -0.224 -11.466 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.663 -0.507 -13.087 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.144 2.376 -14.495 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.166 0.969 -14.807 1.00 0.00 H new ATOM 208 N GLN A 24 3.830 4.287 -9.959 1.00 0.00 N ATOM 209 CA GLN A 24 3.400 5.322 -10.884 1.00 0.00 C ATOM 210 C GLN A 24 3.054 6.603 -10.123 1.00 0.00 C ATOM 211 O GLN A 24 3.341 7.703 -10.591 1.00 0.00 O ATOM 212 CB GLN A 24 2.213 4.845 -11.724 1.00 0.00 C ATOM 213 CG GLN A 24 1.794 5.914 -12.736 1.00 0.00 C ATOM 214 CD GLN A 24 0.308 6.251 -12.592 1.00 0.00 C ATOM 215 OE1 GLN A 24 -0.563 5.564 -13.100 1.00 0.00 O ATOM 216 NE2 GLN A 24 0.069 7.347 -11.876 1.00 0.00 N ATOM 0 H GLN A 24 3.345 3.395 -10.060 1.00 0.00 H new ATOM 0 HA GLN A 24 4.222 5.539 -11.566 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.479 3.927 -12.248 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.373 4.607 -11.071 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.391 6.814 -12.588 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.994 5.561 -13.748 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.845 7.876 -11.479 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.891 7.658 -11.724 1.00 0.00 H new ATOM 217 N GLN A 25 2.443 6.417 -8.962 1.00 0.00 N ATOM 218 CA GLN A 25 2.055 7.545 -8.132 1.00 0.00 C ATOM 219 C GLN A 25 3.114 8.647 -8.204 1.00 0.00 C ATOM 220 O GLN A 25 2.783 9.822 -8.345 1.00 0.00 O ATOM 221 CB GLN A 25 1.819 7.105 -6.685 1.00 0.00 C ATOM 222 CG GLN A 25 0.872 8.069 -5.967 1.00 0.00 C ATOM 223 CD GLN A 25 1.464 9.478 -5.909 1.00 0.00 C ATOM 224 OE1 GLN A 25 1.072 10.374 -6.639 1.00 0.00 O ATOM 225 NE2 GLN A 25 2.426 9.624 -5.003 1.00 0.00 N ATOM 0 H GLN A 25 2.207 5.503 -8.577 1.00 0.00 H new ATOM 0 HA GLN A 25 1.116 7.946 -8.514 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.399 6.099 -6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.770 7.061 -6.155 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.087 8.095 -6.484 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.679 7.710 -4.956 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.706 8.832 -4.424 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.884 10.528 -4.887 1.00 0.00 H new ATOM 226 N LEU A 26 4.366 8.227 -8.106 1.00 0.00 N ATOM 227 CA LEU A 26 5.476 9.163 -8.159 1.00 0.00 C ATOM 228 C LEU A 26 5.597 9.725 -9.577 1.00 0.00 C ATOM 229 O LEU A 26 5.676 10.938 -9.762 1.00 0.00 O ATOM 230 CB LEU A 26 6.759 8.504 -7.648 1.00 0.00 C ATOM 231 CG LEU A 26 6.648 7.767 -6.311 1.00 0.00 C ATOM 232 CD1 LEU A 26 7.905 7.974 -5.465 1.00 0.00 C ATOM 233 CD2 LEU A 26 5.379 8.178 -5.562 1.00 0.00 C ATOM 0 H LEU A 26 4.637 7.250 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 26 5.293 10.008 -7.495 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.106 7.798 -8.402 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.526 9.273 -7.554 1.00 0.00 H new ATOM 0 HG LEU A 26 6.570 6.699 -6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.800 7.440 -4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.773 7.592 -6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.040 9.037 -5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.325 7.640 -4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.402 9.250 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.505 7.937 -6.167 1.00 0.00 H new ATOM 234 N ALA A 27 5.607 8.815 -10.540 1.00 0.00 N ATOM 235 CA ALA A 27 5.717 9.206 -11.935 1.00 0.00 C ATOM 236 C ALA A 27 4.751 10.360 -12.215 1.00 0.00 C ATOM 237 O ALA A 27 3.685 10.442 -11.609 1.00 0.00 O ATOM 238 CB ALA A 27 5.448 7.992 -12.827 1.00 0.00 C ATOM 0 H ALA A 27 5.541 7.809 -10.382 1.00 0.00 H new ATOM 0 HA ALA A 27 6.724 9.558 -12.157 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.530 8.284 -13.874 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.178 7.212 -12.610 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.444 7.614 -12.634 1.00 0.00 H new ATOM 323 N TRP B 9 -13.593 -7.889 -11.284 1.00 0.00 N ATOM 324 CA TRP B 9 -12.710 -6.990 -10.560 1.00 0.00 C ATOM 325 C TRP B 9 -11.532 -7.811 -10.029 1.00 0.00 C ATOM 326 O TRP B 9 -11.565 -8.288 -8.896 1.00 0.00 O ATOM 327 CB TRP B 9 -13.467 -6.248 -9.457 1.00 0.00 C ATOM 328 CG TRP B 9 -14.885 -5.828 -9.849 1.00 0.00 C ATOM 329 CD1 TRP B 9 -15.256 -4.966 -10.805 1.00 0.00 C ATOM 330 CD2 TRP B 9 -16.114 -6.293 -9.253 1.00 0.00 C ATOM 331 NE1 TRP B 9 -16.628 -4.840 -10.867 1.00 0.00 N ATOM 332 CE2 TRP B 9 -17.167 -5.672 -9.894 1.00 0.00 C ATOM 333 CE3 TRP B 9 -16.329 -7.206 -8.206 1.00 0.00 C ATOM 334 CZ2 TRP B 9 -18.508 -5.898 -9.561 1.00 0.00 C ATOM 335 CZ3 TRP B 9 -17.675 -7.421 -7.884 1.00 0.00 C ATOM 336 CH2 TRP B 9 -18.747 -6.805 -8.521 1.00 0.00 C ATOM 0 HA TRP B 9 -12.324 -6.213 -11.220 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -13.519 -6.885 -8.574 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -12.901 -5.360 -9.176 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -14.567 -4.436 -11.447 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -17.151 -4.245 -11.510 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -15.520 -7.702 -7.691 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -19.315 -5.400 -10.078 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -17.896 -8.114 -7.085 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -19.759 -7.025 -8.215 1.00 0.00 H new ATOM 337 N LEU B 10 -10.520 -7.949 -10.872 1.00 0.00 N ATOM 338 CA LEU B 10 -9.335 -8.703 -10.502 1.00 0.00 C ATOM 339 C LEU B 10 -8.485 -7.870 -9.540 1.00 0.00 C ATOM 340 O LEU B 10 -7.964 -8.390 -8.556 1.00 0.00 O ATOM 341 CB LEU B 10 -8.580 -9.162 -11.751 1.00 0.00 C ATOM 342 CG LEU B 10 -9.259 -10.252 -12.582 1.00 0.00 C ATOM 343 CD1 LEU B 10 -10.512 -9.712 -13.276 1.00 0.00 C ATOM 344 CD2 LEU B 10 -8.277 -10.875 -13.577 1.00 0.00 C ATOM 0 H LEU B 10 -10.496 -7.551 -11.811 1.00 0.00 H new ATOM 0 HA LEU B 10 -9.613 -9.615 -9.974 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -8.415 -8.295 -12.391 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -7.598 -9.524 -11.445 1.00 0.00 H new ATOM 0 HG LEU B 10 -9.581 -11.045 -11.907 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -10.976 -10.507 -13.860 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -11.217 -9.354 -12.526 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -10.236 -8.890 -13.937 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -8.785 -11.647 -14.155 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -7.903 -10.104 -14.251 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -7.442 -11.319 -13.035 1.00 0.00 H new ATOM 345 N ARG B 11 -8.371 -6.589 -9.861 1.00 0.00 N ATOM 346 CA ARG B 11 -7.593 -5.678 -9.039 1.00 0.00 C ATOM 347 C ARG B 11 -7.815 -5.981 -7.555 1.00 0.00 C ATOM 348 O ARG B 11 -6.866 -6.001 -6.773 1.00 0.00 O ATOM 349 CB ARG B 11 -7.973 -4.222 -9.316 1.00 0.00 C ATOM 350 CG ARG B 11 -9.429 -4.115 -9.774 1.00 0.00 C ATOM 351 CD ARG B 11 -9.991 -2.719 -9.492 1.00 0.00 C ATOM 352 NE ARG B 11 -11.420 -2.663 -9.870 1.00 0.00 N ATOM 353 CZ ARG B 11 -11.864 -2.537 -11.139 1.00 0.00 C ATOM 354 NH1 ARG B 11 -10.990 -2.451 -12.164 1.00 0.00 N ATOM 355 NH2 ARG B 11 -13.165 -2.496 -11.361 1.00 0.00 N ATOM 0 H ARG B 11 -8.805 -6.161 -10.679 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.542 -5.821 -9.291 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -7.826 -3.626 -8.415 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -7.316 -3.810 -10.082 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -9.495 -4.329 -10.841 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -10.032 -4.864 -9.261 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -9.876 -2.478 -8.435 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -9.429 -1.972 -10.052 1.00 0.00 H new ATOM 0 HE ARG B 11 -12.114 -2.723 -9.125 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -9.987 -2.481 -11.983 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -11.333 -2.356 -13.120 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -13.818 -2.559 -10.580 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -13.517 -2.401 -12.314 1.00 0.00 H new ATOM 356 N GLU B 12 -9.074 -6.211 -7.213 1.00 0.00 N ATOM 357 CA GLU B 12 -9.432 -6.513 -5.837 1.00 0.00 C ATOM 358 C GLU B 12 -8.399 -7.452 -5.212 1.00 0.00 C ATOM 359 O GLU B 12 -8.025 -7.286 -4.053 1.00 0.00 O ATOM 360 CB GLU B 12 -10.838 -7.113 -5.756 1.00 0.00 C ATOM 361 CG GLU B 12 -11.116 -7.669 -4.359 1.00 0.00 C ATOM 362 CD GLU B 12 -12.603 -7.565 -4.013 1.00 0.00 C ATOM 363 OE1 GLU B 12 -13.318 -6.889 -4.783 1.00 0.00 O ATOM 364 OE2 GLU B 12 -12.991 -8.165 -2.987 1.00 0.00 O ATOM 0 H GLU B 12 -9.859 -6.194 -7.864 1.00 0.00 H new ATOM 0 HA GLU B 12 -9.436 -5.582 -5.271 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -11.577 -6.351 -6.002 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -10.941 -7.908 -6.495 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -10.799 -8.711 -4.309 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -10.528 -7.121 -3.622 1.00 0.00 H new ATOM 365 N GLN B 13 -7.965 -8.416 -6.010 1.00 0.00 N ATOM 366 CA GLN B 13 -6.980 -9.382 -5.549 1.00 0.00 C ATOM 367 C GLN B 13 -5.857 -8.673 -4.790 1.00 0.00 C ATOM 368 O GLN B 13 -5.377 -9.174 -3.774 1.00 0.00 O ATOM 369 CB GLN B 13 -6.423 -10.197 -6.719 1.00 0.00 C ATOM 370 CG GLN B 13 -6.203 -11.656 -6.314 1.00 0.00 C ATOM 371 CD GLN B 13 -7.152 -12.584 -7.076 1.00 0.00 C ATOM 372 OE1 GLN B 13 -8.254 -12.878 -6.644 1.00 0.00 O ATOM 373 NE2 GLN B 13 -6.662 -13.029 -8.230 1.00 0.00 N ATOM 0 H GLN B 13 -8.276 -8.550 -6.972 1.00 0.00 H new ATOM 0 HA GLN B 13 -7.471 -10.076 -4.867 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -7.113 -10.150 -7.561 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -5.481 -9.763 -7.054 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -5.170 -11.941 -6.514 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -6.362 -11.768 -5.241 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -5.731 -12.743 -8.533 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -7.218 -13.656 -8.812 1.00 0.00 H new ATOM 374 N CYS B 14 -5.469 -7.519 -5.313 1.00 0.00 N ATOM 375 CA CYS B 14 -4.411 -6.736 -4.696 1.00 0.00 C ATOM 376 C CYS B 14 -4.724 -6.596 -3.206 1.00 0.00 C ATOM 377 O CYS B 14 -4.022 -7.157 -2.366 1.00 0.00 O ATOM 378 CB CYS B 14 -4.246 -5.375 -5.376 1.00 0.00 C ATOM 379 SG CYS B 14 -2.597 -5.081 -6.112 1.00 0.00 S ATOM 0 H CYS B 14 -5.868 -7.107 -6.157 1.00 0.00 H new ATOM 0 HA CYS B 14 -3.456 -7.248 -4.818 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -4.999 -5.281 -6.158 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -4.447 -4.592 -4.645 1.00 0.00 H new ATOM 380 N CYS B 15 -5.777 -5.844 -2.922 1.00 0.00 N ATOM 381 CA CYS B 15 -6.191 -5.623 -1.547 1.00 0.00 C ATOM 382 C CYS B 15 -6.438 -6.985 -0.895 1.00 0.00 C ATOM 383 O CYS B 15 -5.966 -7.242 0.211 1.00 0.00 O ATOM 384 CB CYS B 15 -7.421 -4.719 -1.466 1.00 0.00 C ATOM 385 SG CYS B 15 -8.168 -4.587 0.200 1.00 0.00 S ATOM 0 H CYS B 15 -6.356 -5.380 -3.621 1.00 0.00 H new ATOM 0 HA CYS B 15 -5.402 -5.101 -1.006 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -7.144 -3.721 -1.805 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -8.175 -5.093 -2.159 1.00 0.00 H new ATOM 386 N ASN B 16 -7.178 -7.821 -1.608 1.00 0.00 N ATOM 387 CA ASN B 16 -7.496 -9.149 -1.112 1.00 0.00 C ATOM 388 C ASN B 16 -6.274 -9.725 -0.393 1.00 0.00 C ATOM 389 O ASN B 16 -6.413 -10.444 0.596 1.00 0.00 O ATOM 390 CB ASN B 16 -7.856 -10.094 -2.261 1.00 0.00 C ATOM 391 CG ASN B 16 -9.363 -10.084 -2.525 1.00 0.00 C ATOM 392 OD1 ASN B 16 -9.958 -8.935 -2.222 1.00 0.00 O flip ATOM 393 ND2 ASN B 16 -9.947 -11.058 -2.975 1.00 0.00 N flip ATOM 0 H ASN B 16 -7.567 -7.604 -2.526 1.00 0.00 H new ATOM 0 HA ASN B 16 -8.346 -9.062 -0.436 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -7.323 -9.795 -3.163 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -7.532 -11.106 -2.020 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -9.429 -11.911 -3.186 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -10.953 -11.019 -3.139 1.00 0.00 H new ATOM 394 N GLU B 17 -5.104 -9.387 -0.917 1.00 0.00 N ATOM 395 CA GLU B 17 -3.859 -9.861 -0.337 1.00 0.00 C ATOM 396 C GLU B 17 -3.640 -9.228 1.039 1.00 0.00 C ATOM 397 O GLU B 17 -3.102 -9.867 1.941 1.00 0.00 O ATOM 398 CB GLU B 17 -2.679 -9.576 -1.266 1.00 0.00 C ATOM 399 CG GLU B 17 -1.555 -8.853 -0.520 1.00 0.00 C ATOM 400 CD GLU B 17 -1.000 -9.722 0.609 1.00 0.00 C ATOM 401 OE1 GLU B 17 -0.757 -10.918 0.339 1.00 0.00 O ATOM 402 OE2 GLU B 17 -0.831 -9.171 1.718 1.00 0.00 O ATOM 0 H GLU B 17 -4.993 -8.791 -1.737 1.00 0.00 H new ATOM 0 HA GLU B 17 -3.927 -10.942 -0.211 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -2.303 -10.512 -1.679 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -3.012 -8.968 -2.107 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -0.755 -8.600 -1.216 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -1.930 -7.915 -0.111 1.00 0.00 H new ATOM 403 N LEU B 18 -4.067 -7.979 1.155 1.00 0.00 N ATOM 404 CA LEU B 18 -3.924 -7.253 2.405 1.00 0.00 C ATOM 405 C LEU B 18 -4.908 -7.815 3.432 1.00 0.00 C ATOM 406 O LEU B 18 -4.533 -8.083 4.574 1.00 0.00 O ATOM 407 CB LEU B 18 -4.073 -5.748 2.171 1.00 0.00 C ATOM 408 CG LEU B 18 -5.197 -5.056 2.945 1.00 0.00 C ATOM 409 CD1 LEU B 18 -5.059 -5.302 4.448 1.00 0.00 C ATOM 410 CD2 LEU B 18 -5.257 -3.565 2.610 1.00 0.00 C ATOM 0 H LEU B 18 -4.512 -7.452 0.404 1.00 0.00 H new ATOM 0 HA LEU B 18 -2.923 -7.392 2.813 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -3.130 -5.265 2.429 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -4.236 -5.580 1.106 1.00 0.00 H new ATOM 0 HG LEU B 18 -6.146 -5.493 2.633 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -5.870 -4.799 4.975 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -5.105 -6.373 4.647 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -4.103 -4.909 4.795 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -6.064 -3.098 3.174 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -4.310 -3.094 2.874 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -5.439 -3.439 1.543 1.00 0.00 H new ATOM 411 N TYR B 19 -6.146 -7.979 2.991 1.00 0.00 N ATOM 412 CA TYR B 19 -7.187 -8.505 3.858 1.00 0.00 C ATOM 413 C TYR B 19 -6.646 -9.632 4.741 1.00 0.00 C ATOM 414 O TYR B 19 -7.015 -9.742 5.910 1.00 0.00 O ATOM 415 CB TYR B 19 -8.263 -9.072 2.930 1.00 0.00 C ATOM 416 CG TYR B 19 -9.550 -8.245 2.892 1.00 0.00 C ATOM 417 CD1 TYR B 19 -9.505 -6.887 3.135 1.00 0.00 C ATOM 418 CD2 TYR B 19 -10.755 -8.857 2.616 1.00 0.00 C ATOM 419 CE1 TYR B 19 -10.716 -6.109 3.100 1.00 0.00 C ATOM 420 CE2 TYR B 19 -11.966 -8.079 2.581 1.00 0.00 C ATOM 421 CZ TYR B 19 -11.887 -6.744 2.825 1.00 0.00 C ATOM 422 OH TYR B 19 -13.032 -6.009 2.791 1.00 0.00 O ATOM 0 H TYR B 19 -6.452 -7.757 2.044 1.00 0.00 H new ATOM 0 HA TYR B 19 -7.571 -7.724 4.514 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -7.858 -9.142 1.920 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -8.504 -10.087 3.247 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -8.561 -6.408 3.351 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -10.790 -9.920 2.426 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -10.695 -5.046 3.288 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -12.916 -8.546 2.366 1.00 0.00 H new ATOM 0 HH TYR B 19 -13.790 -6.594 2.582 1.00 0.00 H new ATOM 423 N GLN B 20 -5.781 -10.442 4.148 1.00 0.00 N ATOM 424 CA GLN B 20 -5.187 -11.558 4.865 1.00 0.00 C ATOM 425 C GLN B 20 -4.361 -11.048 6.048 1.00 0.00 C ATOM 426 O GLN B 20 -4.339 -11.671 7.108 1.00 0.00 O ATOM 427 CB GLN B 20 -4.334 -12.419 3.932 1.00 0.00 C ATOM 428 CG GLN B 20 -5.196 -13.445 3.193 1.00 0.00 C ATOM 429 CD GLN B 20 -4.822 -14.871 3.603 1.00 0.00 C ATOM 430 OE1 GLN B 20 -3.786 -15.399 3.233 1.00 0.00 O ATOM 431 NE2 GLN B 20 -5.720 -15.463 4.385 1.00 0.00 N ATOM 0 H GLN B 20 -5.477 -10.348 3.179 1.00 0.00 H new ATOM 0 HA GLN B 20 -5.990 -12.186 5.250 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -3.821 -11.782 3.211 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -3.564 -12.933 4.508 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -6.249 -13.265 3.410 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -5.067 -13.326 2.117 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -6.567 -14.964 4.658 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -5.562 -16.416 4.712 1.00 0.00 H new ATOM 432 N GLU B 21 -3.702 -9.920 5.826 1.00 0.00 N ATOM 433 CA GLU B 21 -2.877 -9.320 6.860 1.00 0.00 C ATOM 434 C GLU B 21 -3.715 -8.377 7.727 1.00 0.00 C ATOM 435 O GLU B 21 -4.914 -8.588 7.898 1.00 0.00 O ATOM 436 CB GLU B 21 -1.681 -8.586 6.250 1.00 0.00 C ATOM 437 CG GLU B 21 -0.406 -8.854 7.051 1.00 0.00 C ATOM 438 CD GLU B 21 -0.034 -10.338 7.010 1.00 0.00 C ATOM 439 OE1 GLU B 21 -0.175 -10.982 5.961 1.00 0.00 O ATOM 440 OE2 GLU B 21 0.416 -10.818 8.119 1.00 0.00 O ATOM 0 H GLU B 21 -3.723 -9.406 4.945 1.00 0.00 H new ATOM 0 HA GLU B 21 -2.488 -10.116 7.495 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -1.541 -8.907 5.218 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -1.881 -7.515 6.226 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.413 -8.259 6.647 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -0.549 -8.540 8.085 1.00 0.00 H new ATOM 441 N ASP B 22 -3.048 -7.359 8.251 1.00 0.00 N ATOM 442 CA ASP B 22 -3.717 -6.383 9.096 1.00 0.00 C ATOM 443 C ASP B 22 -3.157 -4.991 8.801 1.00 0.00 C ATOM 444 O ASP B 22 -2.627 -4.747 7.718 1.00 0.00 O ATOM 445 CB ASP B 22 -3.479 -6.684 10.577 1.00 0.00 C ATOM 446 CG ASP B 22 -4.682 -6.433 11.490 1.00 0.00 C ATOM 447 OD1 ASP B 22 -5.782 -6.953 11.252 1.00 0.00 O ATOM 448 OD2 ASP B 22 -4.452 -5.656 12.494 1.00 0.00 O ATOM 0 H ASP B 22 -2.053 -7.189 8.107 1.00 0.00 H new ATOM 0 HA ASP B 22 -4.785 -6.429 8.885 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -3.178 -7.727 10.676 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -2.644 -6.076 10.926 1.00 0.00 H new ATOM 449 N GLN B 23 -3.294 -4.112 9.784 1.00 0.00 N ATOM 450 CA GLN B 23 -2.809 -2.750 9.642 1.00 0.00 C ATOM 451 C GLN B 23 -1.282 -2.718 9.731 1.00 0.00 C ATOM 452 O GLN B 23 -0.671 -1.658 9.605 1.00 0.00 O ATOM 453 CB GLN B 23 -3.438 -1.832 10.692 1.00 0.00 C ATOM 454 CG GLN B 23 -2.619 -1.833 11.984 1.00 0.00 C ATOM 455 CD GLN B 23 -1.516 -0.773 11.934 1.00 0.00 C ATOM 456 OE1 GLN B 23 -0.341 -1.053 12.106 1.00 0.00 O ATOM 457 NE2 GLN B 23 -1.960 0.457 11.691 1.00 0.00 N ATOM 0 H GLN B 23 -3.734 -4.317 10.681 1.00 0.00 H new ATOM 0 HA GLN B 23 -3.104 -2.381 8.660 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -3.504 -0.817 10.300 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.456 -2.159 10.903 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -3.274 -1.642 12.834 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -2.176 -2.817 12.138 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -2.958 0.622 11.556 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -1.303 1.235 11.639 1.00 0.00 H new ATOM 458 N VAL B 24 -0.709 -3.893 9.947 1.00 0.00 N ATOM 459 CA VAL B 24 0.735 -4.014 10.055 1.00 0.00 C ATOM 460 C VAL B 24 1.392 -3.294 8.874 1.00 0.00 C ATOM 461 O VAL B 24 2.361 -2.559 9.052 1.00 0.00 O ATOM 462 CB VAL B 24 1.131 -5.488 10.152 1.00 0.00 C ATOM 463 CG1 VAL B 24 0.794 -6.056 11.532 1.00 0.00 C ATOM 464 CG2 VAL B 24 0.468 -6.308 9.044 1.00 0.00 C ATOM 0 H VAL B 24 -1.219 -4.770 10.050 1.00 0.00 H new ATOM 0 HA VAL B 24 1.092 -3.535 10.967 1.00 0.00 H new ATOM 0 HB VAL B 24 2.211 -5.555 10.017 1.00 0.00 H new ATOM 0 HG11 VAL B 24 1.086 -7.105 11.575 1.00 0.00 H new ATOM 0 HG12 VAL B 24 1.334 -5.498 12.297 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -0.278 -5.970 11.709 1.00 0.00 H new ATOM 0 HG21 VAL B 24 0.766 -7.352 9.136 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -0.616 -6.231 9.133 1.00 0.00 H new ATOM 0 HG23 VAL B 24 0.780 -5.926 8.072 1.00 0.00 H new ATOM 465 N CYS B 25 0.837 -3.533 7.694 1.00 0.00 N ATOM 466 CA CYS B 25 1.356 -2.917 6.485 1.00 0.00 C ATOM 467 C CYS B 25 0.171 -2.450 5.637 1.00 0.00 C ATOM 468 O CYS B 25 0.122 -2.712 4.436 1.00 0.00 O ATOM 469 CB CYS B 25 2.270 -3.871 5.713 1.00 0.00 C ATOM 470 SG CYS B 25 2.348 -5.571 6.385 1.00 0.00 S ATOM 0 H CYS B 25 0.033 -4.145 7.550 1.00 0.00 H new ATOM 0 HA CYS B 25 1.974 -2.058 6.747 1.00 0.00 H new ATOM 0 HB2 CYS B 25 1.930 -3.920 4.678 1.00 0.00 H new ATOM 0 HB3 CYS B 25 3.277 -3.455 5.698 1.00 0.00 H new ATOM 471 N VAL B 26 -0.754 -1.767 6.296 1.00 0.00 N ATOM 472 CA VAL B 26 -1.935 -1.262 5.616 1.00 0.00 C ATOM 473 C VAL B 26 -1.577 0.026 4.871 1.00 0.00 C ATOM 474 O VAL B 26 -1.421 0.018 3.651 1.00 0.00 O ATOM 475 CB VAL B 26 -3.075 -1.074 6.620 1.00 0.00 C ATOM 476 CG1 VAL B 26 -3.814 0.242 6.370 1.00 0.00 C ATOM 477 CG2 VAL B 26 -4.040 -2.261 6.582 1.00 0.00 C ATOM 0 H VAL B 26 -0.710 -1.552 7.292 1.00 0.00 H new ATOM 0 HA VAL B 26 -2.286 -1.980 4.875 1.00 0.00 H new ATOM 0 HB VAL B 26 -2.639 -1.029 7.618 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -4.619 0.351 7.097 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -3.118 1.075 6.471 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -4.232 0.239 5.363 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -4.841 -2.102 7.305 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -4.466 -2.352 5.583 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -3.502 -3.175 6.832 1.00 0.00 H new ATOM 478 N CYS B 27 -1.457 1.101 5.636 1.00 0.00 N ATOM 479 CA CYS B 27 -1.120 2.393 5.063 1.00 0.00 C ATOM 480 C CYS B 27 0.353 2.682 5.360 1.00 0.00 C ATOM 481 O CYS B 27 0.919 3.639 4.835 1.00 0.00 O ATOM 482 CB CYS B 27 -2.036 3.500 5.588 1.00 0.00 C ATOM 483 SG CYS B 27 -2.984 4.390 4.299 1.00 0.00 S ATOM 0 H CYS B 27 -1.587 1.104 6.648 1.00 0.00 H new ATOM 0 HA CYS B 27 -1.273 2.366 3.984 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -2.738 3.064 6.299 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -1.432 4.222 6.138 1.00 0.00 H new ATOM 484 N PRO B 28 0.946 1.813 6.222 1.00 0.00 N ATOM 485 CA PRO B 28 2.342 1.964 6.595 1.00 0.00 C ATOM 486 C PRO B 28 3.264 1.520 5.458 1.00 0.00 C ATOM 487 O PRO B 28 4.485 1.637 5.563 1.00 0.00 O ATOM 488 CB PRO B 28 2.506 1.129 7.855 1.00 0.00 C ATOM 489 CG PRO B 28 1.323 0.174 7.878 1.00 0.00 C ATOM 490 CD PRO B 28 0.305 0.668 6.863 1.00 0.00 C ATOM 0 HA PRO B 28 2.617 3.002 6.783 1.00 0.00 H new ATOM 0 HB2 PRO B 28 3.449 0.583 7.842 1.00 0.00 H new ATOM 0 HB3 PRO B 28 2.516 1.760 8.744 1.00 0.00 H new ATOM 0 HG2 PRO B 28 1.645 -0.838 7.634 1.00 0.00 H new ATOM 0 HG3 PRO B 28 0.882 0.137 8.874 1.00 0.00 H new ATOM 0 HD2 PRO B 28 0.062 -0.107 6.137 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -0.628 0.956 7.346 1.00 0.00 H new ATOM 491 N THR B 29 2.646 1.020 4.399 1.00 0.00 N ATOM 492 CA THR B 29 3.396 0.558 3.244 1.00 0.00 C ATOM 493 C THR B 29 3.739 1.732 2.325 1.00 0.00 C ATOM 494 O THR B 29 4.844 2.267 2.381 1.00 0.00 O ATOM 495 CB THR B 29 2.578 -0.536 2.554 1.00 0.00 C ATOM 496 OG1 THR B 29 1.249 -0.321 3.023 1.00 0.00 O ATOM 497 CG2 THR B 29 2.928 -1.937 3.060 1.00 0.00 C ATOM 0 H THR B 29 1.634 0.925 4.316 1.00 0.00 H new ATOM 0 HA THR B 29 4.353 0.129 3.541 1.00 0.00 H new ATOM 0 HB THR B 29 2.742 -0.488 1.477 1.00 0.00 H new ATOM 0 HG1 THR B 29 0.933 -1.123 3.488 1.00 0.00 H new ATOM 0 HG21 THR B 29 2.319 -2.675 2.538 1.00 0.00 H new ATOM 0 HG22 THR B 29 3.983 -2.139 2.873 1.00 0.00 H new ATOM 0 HG23 THR B 29 2.732 -1.997 4.131 1.00 0.00 H new ATOM 498 N LEU B 30 2.769 2.097 1.499 1.00 0.00 N ATOM 499 CA LEU B 30 2.953 3.198 0.569 1.00 0.00 C ATOM 500 C LEU B 30 3.831 4.268 1.221 1.00 0.00 C ATOM 501 O LEU B 30 4.747 4.794 0.589 1.00 0.00 O ATOM 502 CB LEU B 30 1.600 3.723 0.086 1.00 0.00 C ATOM 503 CG LEU B 30 0.685 4.312 1.162 1.00 0.00 C ATOM 504 CD1 LEU B 30 0.623 3.397 2.388 1.00 0.00 C ATOM 505 CD2 LEU B 30 1.113 5.734 1.528 1.00 0.00 C ATOM 0 H LEU B 30 1.853 1.650 1.455 1.00 0.00 H new ATOM 0 HA LEU B 30 3.475 2.858 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU B 30 1.778 4.488 -0.669 1.00 0.00 H new ATOM 0 HB3 LEU B 30 1.071 2.907 -0.406 1.00 0.00 H new ATOM 0 HG LEU B 30 -0.324 4.376 0.756 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -0.034 3.838 3.138 1.00 0.00 H new ATOM 0 HD12 LEU B 30 0.235 2.421 2.095 1.00 0.00 H new ATOM 0 HD13 LEU B 30 1.623 3.279 2.805 1.00 0.00 H new ATOM 0 HD21 LEU B 30 0.446 6.129 2.295 1.00 0.00 H new ATOM 0 HD22 LEU B 30 2.135 5.720 1.908 1.00 0.00 H new ATOM 0 HD23 LEU B 30 1.064 6.368 0.643 1.00 0.00 H new ATOM 506 N LYS B 31 3.521 4.560 2.474 1.00 0.00 N ATOM 507 CA LYS B 31 4.270 5.559 3.219 1.00 0.00 C ATOM 508 C LYS B 31 5.763 5.390 2.929 1.00 0.00 C ATOM 509 O LYS B 31 6.426 6.333 2.500 1.00 0.00 O ATOM 510 CB LYS B 31 3.921 5.492 4.706 1.00 0.00 C ATOM 511 CG LYS B 31 5.102 4.964 5.523 1.00 0.00 C ATOM 512 CD LYS B 31 4.938 5.303 7.007 1.00 0.00 C ATOM 513 CE LYS B 31 4.697 4.040 7.835 1.00 0.00 C ATOM 514 NZ LYS B 31 3.590 4.251 8.793 1.00 0.00 N ATOM 0 H LYS B 31 2.760 4.122 2.994 1.00 0.00 H new ATOM 0 HA LYS B 31 3.993 6.563 2.896 1.00 0.00 H new ATOM 0 HB2 LYS B 31 3.642 6.483 5.063 1.00 0.00 H new ATOM 0 HB3 LYS B 31 3.056 4.845 4.851 1.00 0.00 H new ATOM 0 HG2 LYS B 31 5.180 3.884 5.400 1.00 0.00 H new ATOM 0 HG3 LYS B 31 6.030 5.396 5.148 1.00 0.00 H new ATOM 0 HD2 LYS B 31 5.831 5.814 7.368 1.00 0.00 H new ATOM 0 HD3 LYS B 31 4.103 5.992 7.136 1.00 0.00 H new ATOM 0 HE2 LYS B 31 4.460 3.205 7.175 1.00 0.00 H new ATOM 0 HE3 LYS B 31 5.606 3.773 8.374 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 3.528 3.437 9.437 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 3.767 5.115 9.344 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 2.695 4.350 8.273 1.00 0.00 H new ATOM 515 N GLN B 32 6.248 4.182 3.174 1.00 0.00 N ATOM 516 CA GLN B 32 7.650 3.877 2.945 1.00 0.00 C ATOM 517 C GLN B 32 7.883 3.524 1.475 1.00 0.00 C ATOM 518 O GLN B 32 8.913 3.880 0.903 1.00 0.00 O ATOM 519 CB GLN B 32 8.122 2.747 3.862 1.00 0.00 C ATOM 520 CG GLN B 32 9.039 3.282 4.965 1.00 0.00 C ATOM 521 CD GLN B 32 10.450 2.706 4.831 1.00 0.00 C ATOM 522 OE1 GLN B 32 11.039 2.679 3.763 1.00 0.00 O ATOM 523 NE2 GLN B 32 10.957 2.248 5.973 1.00 0.00 N ATOM 0 H GLN B 32 5.695 3.402 3.529 1.00 0.00 H new ATOM 0 HA GLN B 32 8.238 4.763 3.183 1.00 0.00 H new ATOM 0 HB2 GLN B 32 7.260 2.253 4.309 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.652 1.996 3.276 1.00 0.00 H new ATOM 0 HG2 GLN B 32 9.080 4.370 4.913 1.00 0.00 H new ATOM 0 HG3 GLN B 32 8.628 3.025 5.941 1.00 0.00 H new ATOM 0 HE21 GLN B 32 10.409 2.301 6.832 1.00 0.00 H new ATOM 0 HE22 GLN B 32 11.893 1.844 5.989 1.00 0.00 H new ATOM 524 N ALA B 33 6.910 2.829 0.905 1.00 0.00 N ATOM 525 CA ALA B 33 6.996 2.424 -0.488 1.00 0.00 C ATOM 526 C ALA B 33 7.181 3.664 -1.364 1.00 0.00 C ATOM 527 O ALA B 33 8.303 4.003 -1.738 1.00 0.00 O ATOM 528 CB ALA B 33 5.747 1.625 -0.865 1.00 0.00 C ATOM 0 H ALA B 33 6.058 2.536 1.382 1.00 0.00 H new ATOM 0 HA ALA B 33 7.858 1.776 -0.647 1.00 0.00 H new ATOM 0 HB1 ALA B 33 5.811 1.321 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA B 33 5.677 0.740 -0.233 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.862 2.244 -0.721 1.00 0.00 H new ATOM 529 N ALA B 34 6.064 4.308 -1.667 1.00 0.00 N ATOM 530 CA ALA B 34 6.089 5.504 -2.493 1.00 0.00 C ATOM 531 C ALA B 34 7.390 6.267 -2.238 1.00 0.00 C ATOM 532 O ALA B 34 8.024 6.751 -3.175 1.00 0.00 O ATOM 533 CB ALA B 34 4.849 6.352 -2.202 1.00 0.00 C ATOM 0 H ALA B 34 5.135 4.024 -1.355 1.00 0.00 H new ATOM 0 HA ALA B 34 6.063 5.241 -3.550 1.00 0.00 H new ATOM 0 HB1 ALA B 34 4.868 7.249 -2.821 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.952 5.775 -2.427 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.842 6.638 -1.150 1.00 0.00 H new ATOM 534 N LYS B 35 7.752 6.350 -0.966 1.00 0.00 N ATOM 535 CA LYS B 35 8.967 7.045 -0.577 1.00 0.00 C ATOM 536 C LYS B 35 10.080 6.715 -1.573 1.00 0.00 C ATOM 537 O LYS B 35 10.340 7.486 -2.496 1.00 0.00 O ATOM 538 CB LYS B 35 9.326 6.723 0.875 1.00 0.00 C ATOM 539 CG LYS B 35 10.124 7.865 1.508 1.00 0.00 C ATOM 540 CD LYS B 35 9.218 8.769 2.346 1.00 0.00 C ATOM 541 CE LYS B 35 10.023 9.516 3.411 1.00 0.00 C ATOM 542 NZ LYS B 35 9.513 10.896 3.572 1.00 0.00 N ATOM 0 H LYS B 35 7.225 5.947 -0.191 1.00 0.00 H new ATOM 0 HA LYS B 35 8.817 8.124 -0.613 1.00 0.00 H new ATOM 0 HB2 LYS B 35 8.416 6.549 1.449 1.00 0.00 H new ATOM 0 HB3 LYS B 35 9.908 5.802 0.914 1.00 0.00 H new ATOM 0 HG2 LYS B 35 10.916 7.456 2.135 1.00 0.00 H new ATOM 0 HG3 LYS B 35 10.607 8.452 0.727 1.00 0.00 H new ATOM 0 HD2 LYS B 35 8.713 9.485 1.698 1.00 0.00 H new ATOM 0 HD3 LYS B 35 8.443 8.170 2.824 1.00 0.00 H new ATOM 0 HE2 LYS B 35 9.961 8.986 4.361 1.00 0.00 H new ATOM 0 HE3 LYS B 35 11.075 9.541 3.129 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 10.070 11.389 4.298 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 9.595 11.404 2.668 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 8.515 10.866 3.863 1.00 0.00 H new ATOM 543 N SER B 36 10.708 5.570 -1.353 1.00 0.00 N ATOM 544 CA SER B 36 11.787 5.129 -2.221 1.00 0.00 C ATOM 545 C SER B 36 11.214 4.400 -3.439 1.00 0.00 C ATOM 546 O SER B 36 11.829 4.387 -4.504 1.00 0.00 O ATOM 547 CB SER B 36 12.761 4.221 -1.468 1.00 0.00 C ATOM 548 OG SER B 36 13.218 4.815 -0.256 1.00 0.00 O ATOM 0 H SER B 36 10.491 4.934 -0.586 1.00 0.00 H new ATOM 0 HA SER B 36 12.337 6.008 -2.558 1.00 0.00 H new ATOM 0 HB2 SER B 36 12.273 3.272 -1.245 1.00 0.00 H new ATOM 0 HB3 SER B 36 13.616 3.998 -2.107 1.00 0.00 H new ATOM 0 HG SER B 36 13.836 4.203 0.195 1.00 0.00 H new ATOM 549 N VAL B 37 10.044 3.812 -3.240 1.00 0.00 N ATOM 550 CA VAL B 37 9.383 3.083 -4.310 1.00 0.00 C ATOM 551 C VAL B 37 9.948 3.537 -5.656 1.00 0.00 C ATOM 552 O VAL B 37 10.751 2.833 -6.265 1.00 0.00 O ATOM 553 CB VAL B 37 7.867 3.266 -4.207 1.00 0.00 C ATOM 554 CG1 VAL B 37 7.243 3.465 -5.589 1.00 0.00 C ATOM 555 CG2 VAL B 37 7.221 2.084 -3.480 1.00 0.00 C ATOM 0 H VAL B 37 9.537 3.825 -2.355 1.00 0.00 H new ATOM 0 HA VAL B 37 9.577 2.014 -4.220 1.00 0.00 H new ATOM 0 HB VAL B 37 7.677 4.165 -3.621 1.00 0.00 H new ATOM 0 HG11 VAL B 37 6.165 3.593 -5.487 1.00 0.00 H new ATOM 0 HG12 VAL B 37 7.671 4.352 -6.057 1.00 0.00 H new ATOM 0 HG13 VAL B 37 7.448 2.593 -6.210 1.00 0.00 H new ATOM 0 HG21 VAL B 37 6.144 2.239 -3.420 1.00 0.00 H new ATOM 0 HG22 VAL B 37 7.426 1.164 -4.028 1.00 0.00 H new ATOM 0 HG23 VAL B 37 7.633 2.007 -2.474 1.00 0.00 H new ATOM 556 N ARG B 38 9.508 4.712 -6.082 1.00 0.00 N ATOM 557 CA ARG B 38 9.960 5.269 -7.346 1.00 0.00 C ATOM 558 C ARG B 38 11.306 5.974 -7.164 1.00 0.00 C ATOM 559 O ARG B 38 12.312 5.556 -7.734 1.00 0.00 O ATOM 560 CB ARG B 38 8.942 6.263 -7.906 1.00 0.00 C ATOM 561 CG ARG B 38 9.059 6.369 -9.429 1.00 0.00 C ATOM 562 CD ARG B 38 9.244 7.823 -9.864 1.00 0.00 C ATOM 563 NE ARG B 38 10.321 7.914 -10.876 1.00 0.00 N ATOM 564 CZ ARG B 38 10.682 9.058 -11.496 1.00 0.00 C ATOM 565 NH1 ARG B 38 10.054 10.219 -11.213 1.00 0.00 N ATOM 566 NH2 ARG B 38 11.659 9.025 -12.383 1.00 0.00 N ATOM 0 H ARG B 38 8.842 5.294 -5.574 1.00 0.00 H new ATOM 0 HA ARG B 38 10.070 4.445 -8.051 1.00 0.00 H new ATOM 0 HB2 ARG B 38 7.934 5.948 -7.636 1.00 0.00 H new ATOM 0 HB3 ARG B 38 9.100 7.243 -7.456 1.00 0.00 H new ATOM 0 HG2 ARG B 38 9.903 5.772 -9.775 1.00 0.00 H new ATOM 0 HG3 ARG B 38 8.164 5.957 -9.896 1.00 0.00 H new ATOM 0 HD2 ARG B 38 8.312 8.209 -10.277 1.00 0.00 H new ATOM 0 HD3 ARG B 38 9.491 8.441 -9.001 1.00 0.00 H new ATOM 0 HE ARG B 38 10.821 7.059 -11.120 1.00 0.00 H new ATOM 0 HH11 ARG B 38 9.300 10.237 -10.526 1.00 0.00 H new ATOM 0 HH12 ARG B 38 10.333 11.078 -11.686 1.00 0.00 H new ATOM 0 HH21 ARG B 38 12.129 8.144 -12.591 1.00 0.00 H new ATOM 0 HH22 ARG B 38 11.944 9.880 -12.860 1.00 0.00 H new ATOM 567 N VAL B 39 11.280 7.031 -6.367 1.00 0.00 N ATOM 568 CA VAL B 39 12.485 7.799 -6.102 1.00 0.00 C ATOM 569 C VAL B 39 13.179 7.238 -4.860 1.00 0.00 C ATOM 570 O VAL B 39 13.038 7.783 -3.766 1.00 0.00 O ATOM 571 CB VAL B 39 12.142 9.285 -5.976 1.00 0.00 C ATOM 572 CG1 VAL B 39 13.409 10.141 -5.962 1.00 0.00 C ATOM 573 CG2 VAL B 39 11.194 9.726 -7.093 1.00 0.00 C ATOM 0 H VAL B 39 10.443 7.374 -5.896 1.00 0.00 H new ATOM 0 HA VAL B 39 13.185 7.711 -6.933 1.00 0.00 H new ATOM 0 HB VAL B 39 11.629 9.431 -5.025 1.00 0.00 H new ATOM 0 HG11 VAL B 39 13.137 11.193 -5.872 1.00 0.00 H new ATOM 0 HG12 VAL B 39 14.033 9.854 -5.116 1.00 0.00 H new ATOM 0 HG13 VAL B 39 13.962 9.988 -6.889 1.00 0.00 H new ATOM 0 HG21 VAL B 39 10.966 10.786 -6.980 1.00 0.00 H new ATOM 0 HG22 VAL B 39 11.668 9.558 -8.060 1.00 0.00 H new ATOM 0 HG23 VAL B 39 10.271 9.149 -7.036 1.00 0.00 H new ATOM 574 N GLN B 40 13.914 6.156 -5.069 1.00 0.00 N ATOM 575 CA GLN B 40 14.630 5.515 -3.980 1.00 0.00 C ATOM 576 C GLN B 40 15.991 6.184 -3.773 1.00 0.00 C ATOM 577 O GLN B 40 16.266 7.233 -4.354 1.00 0.00 O ATOM 578 CB GLN B 40 14.790 4.015 -4.235 1.00 0.00 C ATOM 579 CG GLN B 40 15.804 3.754 -5.352 1.00 0.00 C ATOM 580 CD GLN B 40 16.803 2.670 -4.942 1.00 0.00 C ATOM 581 OE1 GLN B 40 17.009 2.390 -3.773 1.00 0.00 O ATOM 582 NE2 GLN B 40 17.411 2.080 -5.966 1.00 0.00 N ATOM 0 H GLN B 40 14.029 5.707 -5.977 1.00 0.00 H new ATOM 0 HA GLN B 40 14.045 5.634 -3.068 1.00 0.00 H new ATOM 0 HB2 GLN B 40 15.116 3.520 -3.320 1.00 0.00 H new ATOM 0 HB3 GLN B 40 13.826 3.584 -4.506 1.00 0.00 H new ATOM 0 HG2 GLN B 40 15.282 3.448 -6.258 1.00 0.00 H new ATOM 0 HG3 GLN B 40 16.337 4.675 -5.587 1.00 0.00 H new ATOM 0 HE21 GLN B 40 17.192 2.363 -6.921 1.00 0.00 H new ATOM 0 HE22 GLN B 40 18.097 1.344 -5.797 1.00 0.00 H new ATOM 583 N GLY B 41 16.808 5.549 -2.944 1.00 0.00 N ATOM 584 CA GLY B 41 18.133 6.069 -2.654 1.00 0.00 C ATOM 585 C GLY B 41 18.047 7.423 -1.946 1.00 0.00 C ATOM 586 O GLY B 41 18.910 7.759 -1.137 1.00 0.00 O ATOM 0 H GLY B 41 16.577 4.679 -2.464 1.00 0.00 H new ATOM 0 HA2 GLY B 41 18.677 5.361 -2.028 1.00 0.00 H new ATOM 0 HA3 GLY B 41 18.697 6.174 -3.581 1.00 0.00 H new ATOM 587 N GLN B 42 16.999 8.162 -2.276 1.00 0.00 N ATOM 588 CA GLN B 42 16.789 9.472 -1.681 1.00 0.00 C ATOM 589 C GLN B 42 15.521 10.114 -2.245 1.00 0.00 C ATOM 590 O GLN B 42 15.502 10.557 -3.392 1.00 0.00 O ATOM 591 CB GLN B 42 18.005 10.374 -1.900 1.00 0.00 C ATOM 592 CG GLN B 42 18.890 9.838 -3.027 1.00 0.00 C ATOM 593 CD GLN B 42 19.569 10.982 -3.783 1.00 0.00 C ATOM 594 OE1 GLN B 42 20.776 11.153 -3.747 1.00 0.00 O ATOM 595 NE2 GLN B 42 18.728 11.753 -4.466 1.00 0.00 N ATOM 0 H GLN B 42 16.285 7.879 -2.948 1.00 0.00 H new ATOM 0 HA GLN B 42 16.661 9.345 -0.606 1.00 0.00 H new ATOM 0 HB2 GLN B 42 17.674 11.384 -2.142 1.00 0.00 H new ATOM 0 HB3 GLN B 42 18.584 10.440 -0.979 1.00 0.00 H new ATOM 0 HG2 GLN B 42 19.647 9.171 -2.614 1.00 0.00 H new ATOM 0 HG3 GLN B 42 18.288 9.248 -3.718 1.00 0.00 H new ATOM 0 HE21 GLN B 42 17.728 11.553 -4.453 1.00 0.00 H new ATOM 0 HE22 GLN B 42 19.083 12.544 -5.003 1.00 0.00 H new ATOM 596 N HIS B 43 14.490 10.144 -1.412 1.00 0.00 N ATOM 597 CA HIS B 43 13.220 10.725 -1.814 1.00 0.00 C ATOM 598 C HIS B 43 13.357 12.247 -1.899 1.00 0.00 C ATOM 599 O HIS B 43 12.463 12.978 -1.475 1.00 0.00 O ATOM 600 CB HIS B 43 12.099 10.282 -0.873 1.00 0.00 C ATOM 601 CG HIS B 43 10.710 10.555 -1.400 1.00 0.00 C ATOM 602 ND1 HIS B 43 10.141 10.261 -2.604 1.00 0.00 N flip ATOM 603 CD2 HIS B 43 9.740 11.205 -0.657 1.00 0.00 C flip ATOM 604 CE1 HIS B 43 8.890 10.706 -2.596 1.00 0.00 C flip ATOM 605 NE2 HIS B 43 8.640 11.291 -1.390 1.00 0.00 N flip ATOM 0 H HIS B 43 14.509 9.775 -0.461 1.00 0.00 H new ATOM 0 HA HIS B 43 12.947 10.364 -2.805 1.00 0.00 H new ATOM 0 HB2 HIS B 43 12.200 9.214 -0.682 1.00 0.00 H new ATOM 0 HB3 HIS B 43 12.220 10.790 0.084 1.00 0.00 H new ATOM 0 HD2 HIS B 43 9.860 11.579 0.349 1.00 0.00 H new ATOM 0 HE1 HIS B 43 8.186 10.619 -3.411 1.00 0.00 H new ATOM 0 HE2 HIS B 43 7.760 11.720 -1.103 1.00 0.00 H new ATOM 606 N GLY B 44 14.482 12.678 -2.451 1.00 0.00 N ATOM 607 CA GLY B 44 14.746 14.099 -2.598 1.00 0.00 C ATOM 608 C GLY B 44 13.442 14.890 -2.717 1.00 0.00 C ATOM 609 O GLY B 44 13.002 15.518 -1.754 1.00 0.00 O ATOM 0 H GLY B 44 15.221 12.068 -2.802 1.00 0.00 H new ATOM 0 HA2 GLY B 44 15.316 14.457 -1.741 1.00 0.00 H new ATOM 0 HA3 GLY B 44 15.360 14.269 -3.482 1.00 0.00 H new ATOM 610 N PRO B 45 12.845 14.833 -3.938 1.00 0.00 N ATOM 611 CA PRO B 45 11.600 15.537 -4.195 1.00 0.00 C ATOM 612 C PRO B 45 10.418 14.815 -3.546 1.00 0.00 C ATOM 613 O PRO B 45 10.248 13.610 -3.724 1.00 0.00 O ATOM 614 CB PRO B 45 11.494 15.605 -5.711 1.00 0.00 C ATOM 615 CG PRO B 45 12.438 14.540 -6.244 1.00 0.00 C ATOM 616 CD PRO B 45 13.338 14.101 -5.101 1.00 0.00 C ATOM 0 HA PRO B 45 11.584 16.537 -3.761 1.00 0.00 H new ATOM 0 HB2 PRO B 45 10.471 15.420 -6.039 1.00 0.00 H new ATOM 0 HB3 PRO B 45 11.773 16.593 -6.078 1.00 0.00 H new ATOM 0 HG2 PRO B 45 11.875 13.692 -6.634 1.00 0.00 H new ATOM 0 HG3 PRO B 45 13.032 14.935 -7.068 1.00 0.00 H new ATOM 0 HD2 PRO B 45 13.281 13.024 -4.944 1.00 0.00 H new ATOM 0 HD3 PRO B 45 14.382 14.339 -5.305 1.00 0.00 H new ATOM 617 N PHE B 46 9.631 15.583 -2.806 1.00 0.00 N ATOM 618 CA PHE B 46 8.470 15.032 -2.129 1.00 0.00 C ATOM 619 C PHE B 46 7.175 15.617 -2.698 1.00 0.00 C ATOM 620 O PHE B 46 7.198 16.641 -3.379 1.00 0.00 O ATOM 621 CB PHE B 46 8.587 15.420 -0.654 1.00 0.00 C ATOM 622 CG PHE B 46 10.027 15.555 -0.157 1.00 0.00 C ATOM 623 CD1 PHE B 46 10.799 14.446 -0.004 1.00 0.00 C ATOM 624 CD2 PHE B 46 10.536 16.782 0.131 1.00 0.00 C ATOM 625 CE1 PHE B 46 12.137 14.570 0.457 1.00 0.00 C ATOM 626 CE2 PHE B 46 11.873 16.907 0.591 1.00 0.00 C ATOM 627 CZ PHE B 46 12.645 15.799 0.745 1.00 0.00 C ATOM 0 H PHE B 46 9.775 16.582 -2.661 1.00 0.00 H new ATOM 0 HA PHE B 46 8.438 13.951 -2.264 1.00 0.00 H new ATOM 0 HB2 PHE B 46 8.069 16.366 -0.496 1.00 0.00 H new ATOM 0 HB3 PHE B 46 8.074 14.671 -0.050 1.00 0.00 H new ATOM 0 HD1 PHE B 46 10.395 13.471 -0.233 1.00 0.00 H new ATOM 0 HD2 PHE B 46 9.923 17.663 0.010 1.00 0.00 H new ATOM 0 HE1 PHE B 46 12.750 13.690 0.579 1.00 0.00 H new ATOM 0 HE2 PHE B 46 12.277 17.882 0.819 1.00 0.00 H new ATOM 0 HZ PHE B 46 13.662 15.894 1.096 1.00 0.00 H new ATOM 628 N GLN B 47 6.076 14.941 -2.396 1.00 0.00 N ATOM 629 CA GLN B 47 4.774 15.380 -2.868 1.00 0.00 C ATOM 630 C GLN B 47 3.662 14.636 -2.127 1.00 0.00 C ATOM 631 O GLN B 47 2.618 15.213 -1.826 1.00 0.00 O ATOM 632 CB GLN B 47 4.647 15.191 -4.381 1.00 0.00 C ATOM 633 CG GLN B 47 4.862 16.513 -5.120 1.00 0.00 C ATOM 634 CD GLN B 47 5.798 16.327 -6.317 1.00 0.00 C ATOM 635 OE1 GLN B 47 5.709 15.367 -7.063 1.00 0.00 O ATOM 636 NE2 GLN B 47 6.696 17.297 -6.457 1.00 0.00 N ATOM 0 H GLN B 47 6.061 14.092 -1.830 1.00 0.00 H new ATOM 0 HA GLN B 47 4.673 16.445 -2.658 1.00 0.00 H new ATOM 0 HB2 GLN B 47 5.377 14.457 -4.722 1.00 0.00 H new ATOM 0 HB3 GLN B 47 3.661 14.793 -4.620 1.00 0.00 H new ATOM 0 HG2 GLN B 47 3.903 16.903 -5.461 1.00 0.00 H new ATOM 0 HG3 GLN B 47 5.282 17.251 -4.437 1.00 0.00 H new ATOM 0 HE21 GLN B 47 6.715 18.073 -5.796 1.00 0.00 H new ATOM 0 HE22 GLN B 47 7.366 17.265 -7.226 1.00 0.00 H new ATOM 637 N SER B 48 3.923 13.366 -1.855 1.00 0.00 N ATOM 638 CA SER B 48 2.957 12.537 -1.155 1.00 0.00 C ATOM 639 C SER B 48 2.815 13.008 0.294 1.00 0.00 C ATOM 640 O SER B 48 1.719 12.988 0.853 1.00 0.00 O ATOM 641 CB SER B 48 3.363 11.062 -1.196 1.00 0.00 C ATOM 642 OG SER B 48 2.246 10.206 -1.416 1.00 0.00 O ATOM 0 H SER B 48 4.790 12.891 -2.107 1.00 0.00 H new ATOM 0 HA SER B 48 1.995 12.635 -1.658 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.097 10.910 -1.987 1.00 0.00 H new ATOM 0 HB3 SER B 48 3.846 10.793 -0.257 1.00 0.00 H new ATOM 0 HG SER B 48 2.219 9.517 -0.719 1.00 0.00 H new ATOM 643 N THR B 49 3.940 13.420 0.860 1.00 0.00 N ATOM 644 CA THR B 49 3.954 13.895 2.234 1.00 0.00 C ATOM 645 C THR B 49 2.669 14.663 2.546 1.00 0.00 C ATOM 646 O THR B 49 2.120 14.544 3.641 1.00 0.00 O ATOM 647 CB THR B 49 5.223 14.726 2.432 1.00 0.00 C ATOM 648 OG1 THR B 49 5.945 14.024 3.440 1.00 0.00 O ATOM 649 CG2 THR B 49 4.936 16.091 3.062 1.00 0.00 C ATOM 0 H THR B 49 4.847 13.435 0.393 1.00 0.00 H new ATOM 0 HA THR B 49 3.978 13.065 2.940 1.00 0.00 H new ATOM 0 HB THR B 49 5.718 14.866 1.471 1.00 0.00 H new ATOM 0 HG1 THR B 49 6.784 14.494 3.629 1.00 0.00 H new ATOM 0 HG21 THR B 49 5.870 16.640 3.181 1.00 0.00 H new ATOM 0 HG22 THR B 49 4.263 16.655 2.417 1.00 0.00 H new ATOM 0 HG23 THR B 49 4.471 15.951 4.038 1.00 0.00 H new ATOM 650 N ARG B 50 2.226 15.435 1.565 1.00 0.00 N ATOM 651 CA ARG B 50 1.015 16.223 1.722 1.00 0.00 C ATOM 652 C ARG B 50 -0.207 15.307 1.814 1.00 0.00 C ATOM 653 O ARG B 50 -0.978 15.388 2.769 1.00 0.00 O ATOM 654 CB ARG B 50 0.831 17.189 0.551 1.00 0.00 C ATOM 655 CG ARG B 50 -0.311 18.171 0.823 1.00 0.00 C ATOM 656 CD ARG B 50 0.089 19.198 1.883 1.00 0.00 C ATOM 657 NE ARG B 50 0.430 20.485 1.238 1.00 0.00 N ATOM 658 CZ ARG B 50 -0.470 21.419 0.901 1.00 0.00 C ATOM 659 NH1 ARG B 50 -1.771 21.215 1.146 1.00 0.00 N ATOM 660 NH2 ARG B 50 -0.069 22.557 0.319 1.00 0.00 N ATOM 0 H ARG B 50 2.684 15.532 0.659 1.00 0.00 H new ATOM 0 HA ARG B 50 1.112 16.799 2.642 1.00 0.00 H new ATOM 0 HB2 ARG B 50 1.756 17.740 0.381 1.00 0.00 H new ATOM 0 HB3 ARG B 50 0.623 16.627 -0.359 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -0.582 18.683 -0.100 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -1.193 17.625 1.156 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -0.729 19.341 2.589 1.00 0.00 H new ATOM 0 HD3 ARG B 50 0.942 18.831 2.453 1.00 0.00 H new ATOM 0 HE ARG B 50 1.412 20.673 1.037 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -2.077 20.349 1.589 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -2.456 21.926 0.889 1.00 0.00 H new ATOM 0 HH21 ARG B 50 0.922 22.713 0.132 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -0.754 23.268 0.063 1.00 0.00 H new ATOM 661 N ILE B 51 -0.346 14.455 0.809 1.00 0.00 N ATOM 662 CA ILE B 51 -1.460 13.524 0.764 1.00 0.00 C ATOM 663 C ILE B 51 -1.203 12.380 1.747 1.00 0.00 C ATOM 664 O ILE B 51 -2.137 11.844 2.341 1.00 0.00 O ATOM 665 CB ILE B 51 -1.713 13.058 -0.671 1.00 0.00 C ATOM 666 CG1 ILE B 51 -2.597 11.810 -0.695 1.00 0.00 C ATOM 667 CG2 ILE B 51 -0.395 12.841 -1.416 1.00 0.00 C ATOM 668 CD1 ILE B 51 -4.071 12.179 -0.514 1.00 0.00 C ATOM 0 H ILE B 51 0.296 14.390 0.019 1.00 0.00 H new ATOM 0 HA ILE B 51 -2.380 14.016 1.080 1.00 0.00 H new ATOM 0 HB ILE B 51 -2.254 13.845 -1.196 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -2.464 11.284 -1.640 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -2.290 11.127 0.097 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -0.602 12.510 -2.434 1.00 0.00 H new ATOM 0 HG22 ILE B 51 0.164 13.776 -1.445 1.00 0.00 H new ATOM 0 HG23 ILE B 51 0.194 12.082 -0.901 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -4.678 11.274 -0.535 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -4.205 12.684 0.443 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -4.382 12.843 -1.321 1.00 0.00 H new ATOM 669 N TYR B 52 0.070 12.037 1.886 1.00 0.00 N ATOM 670 CA TYR B 52 0.463 10.966 2.786 1.00 0.00 C ATOM 671 C TYR B 52 -0.436 10.933 4.024 1.00 0.00 C ATOM 672 O TYR B 52 -0.751 9.861 4.538 1.00 0.00 O ATOM 673 CB TYR B 52 1.895 11.283 3.219 1.00 0.00 C ATOM 674 CG TYR B 52 2.947 10.343 2.625 1.00 0.00 C ATOM 675 CD1 TYR B 52 2.722 9.738 1.406 1.00 0.00 C ATOM 676 CD2 TYR B 52 4.120 10.100 3.310 1.00 0.00 C ATOM 677 CE1 TYR B 52 3.712 8.854 0.847 1.00 0.00 C ATOM 678 CE2 TYR B 52 5.110 9.215 2.752 1.00 0.00 C ATOM 679 CZ TYR B 52 4.856 8.636 1.549 1.00 0.00 C ATOM 680 OH TYR B 52 5.791 7.800 1.021 1.00 0.00 O ATOM 0 H TYR B 52 0.842 12.482 1.390 1.00 0.00 H new ATOM 0 HA TYR B 52 0.381 9.999 2.290 1.00 0.00 H new ATOM 0 HB2 TYR B 52 2.133 12.307 2.930 1.00 0.00 H new ATOM 0 HB3 TYR B 52 1.954 11.237 4.306 1.00 0.00 H new ATOM 0 HD1 TYR B 52 1.803 9.927 0.871 1.00 0.00 H new ATOM 0 HD2 TYR B 52 4.296 10.573 4.265 1.00 0.00 H new ATOM 0 HE1 TYR B 52 3.550 8.375 -0.107 1.00 0.00 H new ATOM 0 HE2 TYR B 52 6.032 9.016 3.277 1.00 0.00 H new ATOM 0 HH TYR B 52 6.270 7.346 1.745 1.00 0.00 H new ATOM 681 N GLN B 53 -0.824 12.120 4.466 1.00 0.00 N ATOM 682 CA GLN B 53 -1.680 12.241 5.634 1.00 0.00 C ATOM 683 C GLN B 53 -2.723 11.121 5.645 1.00 0.00 C ATOM 684 O GLN B 53 -2.802 10.352 6.602 1.00 0.00 O ATOM 685 CB GLN B 53 -2.351 13.615 5.683 1.00 0.00 C ATOM 686 CG GLN B 53 -2.340 14.180 7.104 1.00 0.00 C ATOM 687 CD GLN B 53 -3.508 15.145 7.319 1.00 0.00 C ATOM 688 OE1 GLN B 53 -3.799 16.001 6.500 1.00 0.00 O ATOM 689 NE2 GLN B 53 -4.158 14.960 8.465 1.00 0.00 N ATOM 0 H GLN B 53 -0.561 13.007 4.036 1.00 0.00 H new ATOM 0 HA GLN B 53 -1.061 12.144 6.526 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -1.834 14.300 5.011 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -3.378 13.535 5.328 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.400 13.364 7.824 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -1.398 14.697 7.286 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -3.862 14.224 9.106 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.953 15.554 8.702 1.00 0.00 H new ATOM 690 N ILE B 54 -3.495 11.064 4.571 1.00 0.00 N ATOM 691 CA ILE B 54 -4.530 10.052 4.445 1.00 0.00 C ATOM 692 C ILE B 54 -3.936 8.800 3.796 1.00 0.00 C ATOM 693 O ILE B 54 -3.496 7.885 4.491 1.00 0.00 O ATOM 694 CB ILE B 54 -5.743 10.614 3.701 1.00 0.00 C ATOM 695 CG1 ILE B 54 -5.568 10.479 2.187 1.00 0.00 C ATOM 696 CG2 ILE B 54 -6.023 12.059 4.120 1.00 0.00 C ATOM 697 CD1 ILE B 54 -6.335 9.269 1.651 1.00 0.00 C ATOM 0 H ILE B 54 -3.425 11.703 3.779 1.00 0.00 H new ATOM 0 HA ILE B 54 -4.897 9.759 5.428 1.00 0.00 H new ATOM 0 HB ILE B 54 -6.617 10.024 3.978 1.00 0.00 H new ATOM 0 HG12 ILE B 54 -5.921 11.385 1.695 1.00 0.00 H new ATOM 0 HG13 ILE B 54 -4.509 10.378 1.947 1.00 0.00 H new ATOM 0 HG21 ILE B 54 -6.890 12.434 3.576 1.00 0.00 H new ATOM 0 HG22 ILE B 54 -6.223 12.095 5.191 1.00 0.00 H new ATOM 0 HG23 ILE B 54 -5.156 12.679 3.892 1.00 0.00 H new ATOM 0 HD11 ILE B 54 -6.193 9.197 0.573 1.00 0.00 H new ATOM 0 HD12 ILE B 54 -5.963 8.362 2.127 1.00 0.00 H new ATOM 0 HD13 ILE B 54 -7.396 9.385 1.870 1.00 0.00 H new ATOM 698 N ALA B 55 -3.942 8.800 2.471 1.00 0.00 N ATOM 699 CA ALA B 55 -3.409 7.676 1.720 1.00 0.00 C ATOM 700 C ALA B 55 -3.860 7.782 0.262 1.00 0.00 C ATOM 701 O ALA B 55 -4.098 8.880 -0.240 1.00 0.00 O ATOM 702 CB ALA B 55 -3.856 6.368 2.374 1.00 0.00 C ATOM 0 H ALA B 55 -4.308 9.561 1.898 1.00 0.00 H new ATOM 0 HA ALA B 55 -2.319 7.690 1.730 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -3.456 5.525 1.811 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -3.486 6.328 3.398 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -4.945 6.317 2.379 1.00 0.00 H new ATOM 703 N LYS B 56 -3.965 6.626 -0.377 1.00 0.00 N ATOM 704 CA LYS B 56 -4.384 6.576 -1.768 1.00 0.00 C ATOM 705 C LYS B 56 -4.249 5.142 -2.284 1.00 0.00 C ATOM 706 O LYS B 56 -3.233 4.784 -2.878 1.00 0.00 O ATOM 707 CB LYS B 56 -3.611 7.604 -2.597 1.00 0.00 C ATOM 708 CG LYS B 56 -2.101 7.423 -2.425 1.00 0.00 C ATOM 709 CD LYS B 56 -1.535 8.451 -1.443 1.00 0.00 C ATOM 710 CE LYS B 56 -0.755 7.764 -0.321 1.00 0.00 C ATOM 711 NZ LYS B 56 -0.356 8.748 0.710 1.00 0.00 N ATOM 0 H LYS B 56 -3.767 5.717 0.042 1.00 0.00 H new ATOM 0 HA LYS B 56 -5.435 6.851 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS B 56 -3.876 7.501 -3.649 1.00 0.00 H new ATOM 0 HB3 LYS B 56 -3.897 8.611 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS B 56 -1.890 6.416 -2.065 1.00 0.00 H new ATOM 0 HG3 LYS B 56 -1.606 7.526 -3.391 1.00 0.00 H new ATOM 0 HD2 LYS B 56 -0.882 9.145 -1.973 1.00 0.00 H new ATOM 0 HD3 LYS B 56 -2.348 9.040 -1.018 1.00 0.00 H new ATOM 0 HE2 LYS B 56 -1.367 6.983 0.130 1.00 0.00 H new ATOM 0 HE3 LYS B 56 0.131 7.278 -0.730 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 0.312 8.305 1.373 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 0.100 9.564 0.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 -1.199 9.068 1.229 1.00 0.00 H new ATOM 712 N ASN B 57 -5.290 4.359 -2.041 1.00 0.00 N ATOM 713 CA ASN B 57 -5.302 2.972 -2.474 1.00 0.00 C ATOM 714 C ASN B 57 -4.923 2.902 -3.954 1.00 0.00 C ATOM 715 O ASN B 57 -3.976 2.210 -4.325 1.00 0.00 O ATOM 716 CB ASN B 57 -6.692 2.355 -2.311 1.00 0.00 C ATOM 717 CG ASN B 57 -6.648 1.141 -1.381 1.00 0.00 C ATOM 718 OD1 ASN B 57 -5.438 0.607 -1.245 1.00 0.00 O flip ATOM 719 ND2 ASN B 57 -7.648 0.718 -0.824 1.00 0.00 N flip ATOM 0 H ASN B 57 -6.132 4.659 -1.549 1.00 0.00 H new ATOM 0 HA ASN B 57 -4.590 2.421 -1.860 1.00 0.00 H new ATOM 0 HB2 ASN B 57 -7.380 3.100 -1.910 1.00 0.00 H new ATOM 0 HB3 ASN B 57 -7.078 2.057 -3.286 1.00 0.00 H new ATOM 0 HD21 ASN B 57 -8.547 1.176 -0.973 1.00 0.00 H new ATOM 0 HD22 ASN B 57 -7.585 -0.094 -0.210 1.00 0.00 H new ATOM 720 N LEU B 58 -5.683 3.628 -4.762 1.00 0.00 N ATOM 721 CA LEU B 58 -5.439 3.657 -6.193 1.00 0.00 C ATOM 722 C LEU B 58 -6.102 4.898 -6.795 1.00 0.00 C ATOM 723 O LEU B 58 -5.443 5.701 -7.452 1.00 0.00 O ATOM 724 CB LEU B 58 -5.889 2.345 -6.840 1.00 0.00 C ATOM 725 CG LEU B 58 -4.878 1.198 -6.804 1.00 0.00 C ATOM 726 CD1 LEU B 58 -5.290 0.074 -7.758 1.00 0.00 C ATOM 727 CD2 LEU B 58 -3.463 1.705 -7.094 1.00 0.00 C ATOM 0 H LEU B 58 -6.468 4.200 -4.452 1.00 0.00 H new ATOM 0 HA LEU B 58 -4.371 3.736 -6.395 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -6.802 2.014 -6.346 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -6.145 2.545 -7.881 1.00 0.00 H new ATOM 0 HG LEU B 58 -4.871 0.780 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -4.554 -0.729 -7.713 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -6.267 -0.312 -7.466 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -5.343 0.461 -8.775 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -2.764 0.870 -7.062 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -3.436 2.163 -8.083 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -3.180 2.444 -6.344 1.00 0.00 H new ATOM 728 N PRO B 59 -7.433 5.019 -6.541 1.00 0.00 N ATOM 729 CA PRO B 59 -8.138 4.022 -5.753 1.00 0.00 C ATOM 730 C PRO B 59 -8.373 2.747 -6.566 1.00 0.00 C ATOM 731 O PRO B 59 -8.266 2.759 -7.791 1.00 0.00 O ATOM 732 CB PRO B 59 -9.429 4.700 -5.325 1.00 0.00 C ATOM 733 CG PRO B 59 -9.613 5.878 -6.268 1.00 0.00 C ATOM 734 CD PRO B 59 -8.298 6.103 -6.996 1.00 0.00 C ATOM 0 HA PRO B 59 -7.569 3.694 -4.883 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -10.272 4.012 -5.390 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -9.370 5.034 -4.289 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -10.413 5.676 -6.980 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -9.899 6.771 -5.712 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -8.434 6.074 -8.077 1.00 0.00 H new ATOM 0 HD3 PRO B 59 -7.873 7.077 -6.754 1.00 0.00 H new ATOM 735 N ASN B 60 -8.689 1.678 -5.851 1.00 0.00 N ATOM 736 CA ASN B 60 -8.941 0.397 -6.490 1.00 0.00 C ATOM 737 C ASN B 60 -8.469 -0.729 -5.568 1.00 0.00 C ATOM 738 O ASN B 60 -9.265 -1.567 -5.148 1.00 0.00 O ATOM 739 CB ASN B 60 -8.174 0.280 -7.809 1.00 0.00 C ATOM 740 CG ASN B 60 -9.081 0.600 -9.000 1.00 0.00 C ATOM 741 OD1 ASN B 60 -10.254 0.265 -9.027 1.00 0.00 O ATOM 742 ND2 ASN B 60 -8.473 1.264 -9.979 1.00 0.00 N ATOM 0 H ASN B 60 -8.776 1.672 -4.835 1.00 0.00 H new ATOM 0 HA ASN B 60 -10.011 0.322 -6.686 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -7.324 0.962 -7.801 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -7.773 -0.728 -7.913 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -8.992 1.524 -10.818 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -7.488 1.513 -9.891 1.00 0.00 H new ATOM 743 N VAL B 61 -7.176 -0.713 -5.281 1.00 0.00 N ATOM 744 CA VAL B 61 -6.589 -1.724 -4.417 1.00 0.00 C ATOM 745 C VAL B 61 -7.699 -2.426 -3.633 1.00 0.00 C ATOM 746 O VAL B 61 -7.954 -3.612 -3.838 1.00 0.00 O ATOM 747 CB VAL B 61 -5.529 -1.089 -3.514 1.00 0.00 C ATOM 748 CG1 VAL B 61 -5.348 -1.898 -2.228 1.00 0.00 C ATOM 749 CG2 VAL B 61 -4.200 -0.931 -4.255 1.00 0.00 C ATOM 0 H VAL B 61 -6.518 -0.016 -5.631 1.00 0.00 H new ATOM 0 HA VAL B 61 -6.079 -2.484 -5.010 1.00 0.00 H new ATOM 0 HB VAL B 61 -5.878 -0.094 -3.237 1.00 0.00 H new ATOM 0 HG11 VAL B 61 -4.589 -1.425 -1.604 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -6.293 -1.935 -1.685 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -5.033 -2.911 -2.477 1.00 0.00 H new ATOM 0 HG21 VAL B 61 -3.465 -0.477 -3.590 1.00 0.00 H new ATOM 0 HG22 VAL B 61 -3.844 -1.910 -4.576 1.00 0.00 H new ATOM 0 HG23 VAL B 61 -4.343 -0.293 -5.127 1.00 0.00 H new ATOM 750 N CYS B 62 -8.330 -1.664 -2.752 1.00 0.00 N ATOM 751 CA CYS B 62 -9.408 -2.198 -1.936 1.00 0.00 C ATOM 752 C CYS B 62 -10.735 -1.691 -2.502 1.00 0.00 C ATOM 753 O CYS B 62 -11.315 -2.316 -3.390 1.00 0.00 O ATOM 754 CB CYS B 62 -9.238 -1.829 -0.461 1.00 0.00 C ATOM 755 SG CYS B 62 -7.740 -2.517 0.335 1.00 0.00 S ATOM 0 H CYS B 62 -8.116 -0.681 -2.585 1.00 0.00 H new ATOM 0 HA CYS B 62 -9.391 -3.287 -1.974 1.00 0.00 H new ATOM 0 HB2 CYS B 62 -9.213 -0.743 -0.373 1.00 0.00 H new ATOM 0 HB3 CYS B 62 -10.115 -2.173 0.088 1.00 0.00 H new ATOM 756 N ASN B 63 -11.179 -0.564 -1.965 1.00 0.00 N ATOM 757 CA ASN B 63 -12.428 0.034 -2.405 1.00 0.00 C ATOM 758 C ASN B 63 -13.443 -0.014 -1.262 1.00 0.00 C ATOM 759 O ASN B 63 -14.649 0.051 -1.493 1.00 0.00 O ATOM 760 CB ASN B 63 -13.017 -0.732 -3.592 1.00 0.00 C ATOM 761 CG ASN B 63 -14.301 -0.066 -4.093 1.00 0.00 C ATOM 762 OD1 ASN B 63 -14.585 1.086 -3.806 1.00 0.00 O ATOM 763 ND2 ASN B 63 -15.056 -0.852 -4.853 1.00 0.00 N ATOM 0 H ASN B 63 -10.696 -0.049 -1.229 1.00 0.00 H new ATOM 0 HA ASN B 63 -12.222 1.062 -2.704 1.00 0.00 H new ATOM 0 HB2 ASN B 63 -12.287 -0.775 -4.400 1.00 0.00 H new ATOM 0 HB3 ASN B 63 -13.228 -1.760 -3.297 1.00 0.00 H new ATOM 0 HD21 ASN B 63 -15.934 -0.501 -5.236 1.00 0.00 H new ATOM 0 HD22 ASN B 63 -14.758 -1.807 -5.054 1.00 0.00 H new ATOM 764 N MET B 64 -12.917 -0.128 -0.051 1.00 0.00 N ATOM 765 CA MET B 64 -13.762 -0.185 1.130 1.00 0.00 C ATOM 766 C MET B 64 -13.234 0.742 2.227 1.00 0.00 C ATOM 767 O MET B 64 -12.168 0.499 2.790 1.00 0.00 O ATOM 768 CB MET B 64 -13.809 -1.621 1.655 1.00 0.00 C ATOM 769 CG MET B 64 -14.099 -2.609 0.523 1.00 0.00 C ATOM 770 SD MET B 64 -12.569 -3.163 -0.211 1.00 0.00 S ATOM 771 CE MET B 64 -11.688 -3.671 1.255 1.00 0.00 C ATOM 0 H MET B 64 -11.916 -0.182 0.138 1.00 0.00 H new ATOM 0 HA MET B 64 -14.764 0.144 0.853 1.00 0.00 H new ATOM 0 HB2 MET B 64 -12.858 -1.871 2.126 1.00 0.00 H new ATOM 0 HB3 MET B 64 -14.578 -1.706 2.423 1.00 0.00 H new ATOM 0 HG2 MET B 64 -14.657 -3.462 0.908 1.00 0.00 H new ATOM 0 HG3 MET B 64 -14.724 -2.135 -0.234 1.00 0.00 H new ATOM 0 HE1 MET B 64 -11.185 -4.619 1.067 1.00 0.00 H new ATOM 0 HE2 MET B 64 -10.949 -2.913 1.516 1.00 0.00 H new ATOM 0 HE3 MET B 64 -12.391 -3.791 2.079 1.00 0.00 H new ATOM 772 N LYS B 65 -14.006 1.785 2.497 1.00 0.00 N ATOM 773 CA LYS B 65 -13.630 2.750 3.517 1.00 0.00 C ATOM 774 C LYS B 65 -13.526 2.041 4.870 1.00 0.00 C ATOM 775 O LYS B 65 -13.120 2.645 5.860 1.00 0.00 O ATOM 776 CB LYS B 65 -14.598 3.935 3.516 1.00 0.00 C ATOM 777 CG LYS B 65 -15.019 4.297 2.091 1.00 0.00 C ATOM 778 CD LYS B 65 -15.423 5.769 1.996 1.00 0.00 C ATOM 779 CE LYS B 65 -16.732 6.028 2.745 1.00 0.00 C ATOM 780 NZ LYS B 65 -16.558 7.117 3.732 1.00 0.00 N ATOM 0 H LYS B 65 -14.890 1.983 2.027 1.00 0.00 H new ATOM 0 HA LYS B 65 -12.648 3.170 3.301 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -15.480 3.690 4.108 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -14.125 4.796 3.989 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -14.197 4.097 1.403 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -15.853 3.667 1.783 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -14.633 6.394 2.411 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -15.537 6.052 0.949 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -17.517 6.293 2.037 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -17.054 5.118 3.252 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -17.456 7.280 4.231 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -15.824 6.850 4.418 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -16.272 7.988 3.241 1.00 0.00 H new ATOM 781 N GLN B 66 -13.901 0.771 4.866 1.00 0.00 N ATOM 782 CA GLN B 66 -13.854 -0.026 6.080 1.00 0.00 C ATOM 783 C GLN B 66 -12.427 -0.512 6.342 1.00 0.00 C ATOM 784 O GLN B 66 -12.054 -0.764 7.487 1.00 0.00 O ATOM 785 CB GLN B 66 -14.829 -1.203 6.002 1.00 0.00 C ATOM 786 CG GLN B 66 -14.077 -2.534 5.939 1.00 0.00 C ATOM 787 CD GLN B 66 -13.608 -2.966 7.330 1.00 0.00 C ATOM 788 OE1 GLN B 66 -13.731 -2.245 8.305 1.00 0.00 O ATOM 789 NE2 GLN B 66 -13.065 -4.179 7.364 1.00 0.00 N ATOM 0 H GLN B 66 -14.239 0.274 4.042 1.00 0.00 H new ATOM 0 HA GLN B 66 -14.161 0.603 6.916 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -15.487 -1.193 6.871 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -15.463 -1.097 5.122 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -14.724 -3.302 5.515 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -13.218 -2.439 5.275 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -12.993 -4.730 6.509 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -12.720 -4.559 8.246 1.00 0.00 H new ATOM 790 N ILE B 67 -11.669 -0.630 5.262 1.00 0.00 N ATOM 791 CA ILE B 67 -10.291 -1.082 5.362 1.00 0.00 C ATOM 792 C ILE B 67 -9.359 0.132 5.343 1.00 0.00 C ATOM 793 O ILE B 67 -8.611 0.359 6.293 1.00 0.00 O ATOM 794 CB ILE B 67 -9.984 -2.110 4.271 1.00 0.00 C ATOM 795 CG1 ILE B 67 -9.581 -3.453 4.881 1.00 0.00 C ATOM 796 CG2 ILE B 67 -8.927 -1.580 3.300 1.00 0.00 C ATOM 797 CD1 ILE B 67 -10.781 -4.140 5.536 1.00 0.00 C ATOM 0 H ILE B 67 -11.982 -0.421 4.314 1.00 0.00 H new ATOM 0 HA ILE B 67 -10.126 -1.597 6.308 1.00 0.00 H new ATOM 0 HB ILE B 67 -10.894 -2.279 3.695 1.00 0.00 H new ATOM 0 HG12 ILE B 67 -9.166 -4.098 4.107 1.00 0.00 H new ATOM 0 HG13 ILE B 67 -8.796 -3.299 5.622 1.00 0.00 H new ATOM 0 HG21 ILE B 67 -8.727 -2.330 2.535 1.00 0.00 H new ATOM 0 HG22 ILE B 67 -9.292 -0.668 2.828 1.00 0.00 H new ATOM 0 HG23 ILE B 67 -8.008 -1.364 3.845 1.00 0.00 H new ATOM 0 HD11 ILE B 67 -10.467 -5.093 5.962 1.00 0.00 H new ATOM 0 HD12 ILE B 67 -11.178 -3.503 6.326 1.00 0.00 H new ATOM 0 HD13 ILE B 67 -11.554 -4.314 4.787 1.00 0.00 H new ATOM 798 N GLY B 68 -9.434 0.879 4.252 1.00 0.00 N ATOM 799 CA GLY B 68 -8.607 2.063 4.097 1.00 0.00 C ATOM 800 C GLY B 68 -7.989 2.121 2.700 1.00 0.00 C ATOM 801 O GLY B 68 -7.923 1.109 2.003 1.00 0.00 O ATOM 0 H GLY B 68 -10.055 0.687 3.466 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -9.208 2.956 4.270 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -7.817 2.060 4.848 1.00 0.00 H new ATOM 802 N THR B 69 -7.550 3.316 2.330 1.00 0.00 N ATOM 803 CA THR B 69 -6.939 3.519 1.027 1.00 0.00 C ATOM 804 C THR B 69 -5.414 3.466 1.139 1.00 0.00 C ATOM 805 O THR B 69 -4.784 4.435 1.560 1.00 0.00 O ATOM 806 CB THR B 69 -7.461 4.842 0.462 1.00 0.00 C ATOM 807 OG1 THR B 69 -8.198 5.413 1.539 1.00 0.00 O ATOM 808 CG2 THR B 69 -8.504 4.637 -0.638 1.00 0.00 C ATOM 0 H THR B 69 -7.605 4.153 2.910 1.00 0.00 H new ATOM 0 HA THR B 69 -7.210 2.723 0.334 1.00 0.00 H new ATOM 0 HB THR B 69 -6.627 5.423 0.067 1.00 0.00 H new ATOM 0 HG1 THR B 69 -8.571 6.275 1.260 1.00 0.00 H new ATOM 0 HG21 THR B 69 -8.842 5.606 -1.005 1.00 0.00 H new ATOM 0 HG22 THR B 69 -8.061 4.073 -1.459 1.00 0.00 H new ATOM 0 HG23 THR B 69 -9.354 4.085 -0.236 1.00 0.00 H new ATOM 809 N CYS B 70 -4.864 2.322 0.757 1.00 0.00 N ATOM 810 CA CYS B 70 -3.425 2.130 0.809 1.00 0.00 C ATOM 811 C CYS B 70 -3.110 0.725 0.293 1.00 0.00 C ATOM 812 O CYS B 70 -3.972 -0.153 0.304 1.00 0.00 O ATOM 813 CB CYS B 70 -2.875 2.357 2.218 1.00 0.00 C ATOM 814 SG CYS B 70 -4.148 2.607 3.508 1.00 0.00 S ATOM 0 H CYS B 70 -5.389 1.519 0.410 1.00 0.00 H new ATOM 0 HA CYS B 70 -2.933 2.868 0.175 1.00 0.00 H new ATOM 0 HB2 CYS B 70 -2.260 1.501 2.495 1.00 0.00 H new ATOM 0 HB3 CYS B 70 -2.219 3.228 2.201 1.00 0.00 H new