USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=18 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: A 25 GLN : amide:sc= -3.93! C(o=-21!,f=-23!) USER MOD Set 1.2: B 43 HIS :FLIP no HE2:sc= -15.6! C(o=-26!,f=-21!) USER MOD Set 1.3: B 47 GLN : amide:sc= -1.75 K(o=-21,f=-26) USER MOD Set 2.1: B 19 TYR OH : rot 116:sc= 0.904 USER MOD Set 2.2: B 64 MET CE :methyl -117:sc= -19.1! (180deg=-32.6!) USER MOD Set 3.1: A 6 GLN : amide:sc= -3.02! C(o=-7!,f=-7.4!) USER MOD Set 3.2: B 32 GLN :FLIP amide:sc= -3.95! C(o=-7.8!,f=-7!) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -103:sc= -2.06 (180deg=-4.6!) USER MOD Single : A 3 GLN : amide:sc= -0.0165 X(o=-0.016,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.67) USER MOD Single : A 14 HIS : no HE2:sc= -8.32! C(o=-8.3!,f=-8.5!) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.17 K(o=-0.17,f=-2!) USER MOD Single : A 24 GLN : amide:sc= -0.379 K(o=-0.38,f=-1.1) USER MOD Single : B 13 GLN : amide:sc= -0.0211 K(o=-0.021,f=-1.3) USER MOD Single : B 16 ASN :FLIP amide:sc= -1.86 F(o=-5.7!,f=-1.9) USER MOD Single : B 20 GLN : amide:sc= -4.19! C(o=-4.2!,f=-6.7!) USER MOD Single : B 23 GLN :FLIP amide:sc= -1.52 F(o=-2.8,f=-1.5) USER MOD Single : B 29 THR OG1 : rot -171:sc= -2.17! USER MOD Single : B 31 LYS NZ :NH3+ 154:sc=-0.00611 (180deg=-0.608) USER MOD Single : B 35 LYS NZ :NH3+ 160:sc= -0.0012 (180deg=-0.262) USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.02 X(o=-0.02,f=-0.0068) USER MOD Single : B 42 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : B 48 SER OG : rot 180:sc= -1.8! USER MOD Single : B 49 THR OG1 : rot 180:sc= 0.178 USER MOD Single : B 52 TYR OH : rot 180:sc= -0.328 USER MOD Single : B 53 GLN : amide:sc= -0.201 K(o=-0.2,f=-2.2!) USER MOD Single : B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 ASN : amide:sc= -17! C(o=-17!,f=-20!) USER MOD Single : B 60 ASN : amide:sc= -4.93! C(o=-4.9!,f=-6.2!) USER MOD Single : B 63 ASN : amide:sc= -0.0521 K(o=-0.052,f=-1.2) USER MOD Single : B 65 LYS NZ :NH3+ -128:sc= -0.422 (180deg=-1.55!) USER MOD Single : B 66 GLN : amide:sc= -3.25! C(o=-3.2!,f=-5.6!) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 4.282 0.638 15.783 1.00 0.00 N ATOM 2 CA GLN A 1 5.417 0.675 14.877 1.00 0.00 C ATOM 3 C GLN A 1 6.019 -0.723 14.721 1.00 0.00 C ATOM 4 O GLN A 1 7.156 -0.961 15.123 1.00 0.00 O ATOM 5 CB GLN A 1 6.470 1.676 15.356 1.00 0.00 C ATOM 6 CG GLN A 1 6.685 1.564 16.867 1.00 0.00 C ATOM 7 CD GLN A 1 8.109 1.974 17.250 1.00 0.00 C ATOM 8 OE1 GLN A 1 8.914 1.173 17.695 1.00 0.00 O ATOM 9 NE2 GLN A 1 8.372 3.262 17.053 1.00 0.00 N ATOM 0 H1 GLN A 1 3.399 0.677 15.235 1.00 0.00 H new ATOM 0 H2 GLN A 1 4.308 -0.243 16.336 1.00 0.00 H new ATOM 0 H3 GLN A 1 4.326 1.453 16.428 1.00 0.00 H new ATOM 0 HA GLN A 1 5.066 1.008 13.900 1.00 0.00 H new ATOM 0 HB2 GLN A 1 7.411 1.496 14.837 1.00 0.00 H new ATOM 0 HB3 GLN A 1 6.156 2.689 15.104 1.00 0.00 H new ATOM 0 HG2 GLN A 1 5.968 2.198 17.388 1.00 0.00 H new ATOM 0 HG3 GLN A 1 6.498 0.540 17.190 1.00 0.00 H new ATOM 0 HE21 GLN A 1 7.651 3.878 16.677 1.00 0.00 H new ATOM 0 HE22 GLN A 1 9.295 3.634 17.278 1.00 0.00 H new ATOM 10 N PRO A 2 5.206 -1.635 14.122 1.00 0.00 N ATOM 11 CA PRO A 2 5.647 -3.003 13.910 1.00 0.00 C ATOM 12 C PRO A 2 6.647 -3.084 12.754 1.00 0.00 C ATOM 13 O PRO A 2 6.388 -2.570 11.666 1.00 0.00 O ATOM 14 CB PRO A 2 4.373 -3.791 13.649 1.00 0.00 C ATOM 15 CG PRO A 2 3.320 -2.764 13.265 1.00 0.00 C ATOM 16 CD PRO A 2 3.853 -1.389 13.635 1.00 0.00 C ATOM 0 HA PRO A 2 6.183 -3.410 14.768 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.520 -4.518 12.850 1.00 0.00 H new ATOM 0 HB3 PRO A 2 4.070 -4.349 14.535 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.107 -2.816 12.197 1.00 0.00 H new ATOM 0 HG3 PRO A 2 2.384 -2.964 13.787 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.858 -0.721 12.774 1.00 0.00 H new ATOM 0 HD3 PRO A 2 3.236 -0.918 14.400 1.00 0.00 H new ATOM 17 N GLN A 3 7.770 -3.730 13.030 1.00 0.00 N ATOM 18 CA GLN A 3 8.810 -3.884 12.027 1.00 0.00 C ATOM 19 C GLN A 3 8.395 -4.927 10.987 1.00 0.00 C ATOM 20 O GLN A 3 8.642 -4.753 9.795 1.00 0.00 O ATOM 21 CB GLN A 3 10.145 -4.257 12.675 1.00 0.00 C ATOM 22 CG GLN A 3 11.287 -3.417 12.100 1.00 0.00 C ATOM 23 CD GLN A 3 12.628 -3.816 12.720 1.00 0.00 C ATOM 24 OE1 GLN A 3 13.548 -4.250 12.047 1.00 0.00 O ATOM 25 NE2 GLN A 3 12.686 -3.645 14.037 1.00 0.00 N ATOM 0 H GLN A 3 7.983 -4.153 13.934 1.00 0.00 H new ATOM 0 HA GLN A 3 8.944 -2.928 11.521 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.085 -4.106 13.753 1.00 0.00 H new ATOM 0 HB3 GLN A 3 10.349 -5.315 12.512 1.00 0.00 H new ATOM 0 HG2 GLN A 3 11.330 -3.547 11.019 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.096 -2.360 12.287 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.878 -3.277 14.540 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.538 -3.882 14.545 1.00 0.00 H new ATOM 26 N LYS A 4 7.770 -5.988 11.476 1.00 0.00 N ATOM 27 CA LYS A 4 7.318 -7.059 10.605 1.00 0.00 C ATOM 28 C LYS A 4 6.684 -6.455 9.350 1.00 0.00 C ATOM 29 O LYS A 4 6.876 -6.964 8.246 1.00 0.00 O ATOM 30 CB LYS A 4 6.393 -8.013 11.363 1.00 0.00 C ATOM 31 CG LYS A 4 4.942 -7.531 11.305 1.00 0.00 C ATOM 32 CD LYS A 4 4.006 -8.526 11.997 1.00 0.00 C ATOM 33 CE LYS A 4 3.411 -7.922 13.270 1.00 0.00 C ATOM 34 NZ LYS A 4 4.111 -8.441 14.466 1.00 0.00 N ATOM 0 H LYS A 4 7.566 -6.129 12.465 1.00 0.00 H new ATOM 0 HA LYS A 4 8.162 -7.665 10.277 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.465 -9.013 10.934 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.714 -8.088 12.402 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.860 -6.555 11.784 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.639 -7.403 10.266 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.204 -8.811 11.316 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.554 -9.436 12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.492 -6.836 13.237 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.349 -8.160 13.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.695 -8.021 15.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.012 -9.476 14.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.119 -8.192 14.413 1.00 0.00 H new ATOM 35 N CYS A 5 5.942 -5.379 9.560 1.00 0.00 N ATOM 36 CA CYS A 5 5.278 -4.700 8.460 1.00 0.00 C ATOM 37 C CYS A 5 6.347 -4.229 7.471 1.00 0.00 C ATOM 38 O CYS A 5 6.503 -4.809 6.397 1.00 0.00 O ATOM 39 CB CYS A 5 4.406 -3.543 8.951 1.00 0.00 C ATOM 40 SG CYS A 5 2.647 -3.970 9.225 1.00 0.00 S ATOM 0 H CYS A 5 5.785 -4.960 10.476 1.00 0.00 H new ATOM 0 HA CYS A 5 4.600 -5.391 7.960 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.823 -3.163 9.884 1.00 0.00 H new ATOM 0 HB3 CYS A 5 4.460 -2.732 8.224 1.00 0.00 H new ATOM 41 N GLN A 6 7.055 -3.183 7.869 1.00 0.00 N ATOM 42 CA GLN A 6 8.105 -2.627 7.032 1.00 0.00 C ATOM 43 C GLN A 6 8.858 -3.748 6.313 1.00 0.00 C ATOM 44 O GLN A 6 9.212 -3.611 5.143 1.00 0.00 O ATOM 45 CB GLN A 6 9.062 -1.762 7.854 1.00 0.00 C ATOM 46 CG GLN A 6 8.570 -1.617 9.295 1.00 0.00 C ATOM 47 CD GLN A 6 7.359 -0.684 9.370 1.00 0.00 C ATOM 48 OE1 GLN A 6 6.289 -1.049 9.827 1.00 0.00 O ATOM 49 NE2 GLN A 6 7.590 0.539 8.899 1.00 0.00 N ATOM 0 H GLN A 6 6.922 -2.705 8.760 1.00 0.00 H new ATOM 0 HA GLN A 6 7.644 -1.985 6.281 1.00 0.00 H new ATOM 0 HB2 GLN A 6 10.057 -2.208 7.849 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.152 -0.777 7.396 1.00 0.00 H new ATOM 0 HG2 GLN A 6 8.304 -2.596 9.693 1.00 0.00 H new ATOM 0 HG3 GLN A 6 9.373 -1.227 9.920 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.510 0.778 8.530 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.847 1.237 8.907 1.00 0.00 H new ATOM 50 N ARG A 7 9.083 -4.831 7.043 1.00 0.00 N ATOM 51 CA ARG A 7 9.789 -5.973 6.490 1.00 0.00 C ATOM 52 C ARG A 7 8.909 -6.696 5.467 1.00 0.00 C ATOM 53 O ARG A 7 9.184 -6.658 4.269 1.00 0.00 O ATOM 54 CB ARG A 7 10.194 -6.956 7.591 1.00 0.00 C ATOM 55 CG ARG A 7 11.309 -7.888 7.111 1.00 0.00 C ATOM 56 CD ARG A 7 12.462 -7.092 6.498 1.00 0.00 C ATOM 57 NE ARG A 7 13.743 -7.798 6.729 1.00 0.00 N ATOM 58 CZ ARG A 7 14.253 -8.059 7.951 1.00 0.00 C ATOM 59 NH1 ARG A 7 13.594 -7.675 9.066 1.00 0.00 N ATOM 60 NH2 ARG A 7 15.406 -8.697 8.040 1.00 0.00 N ATOM 0 H ARG A 7 8.788 -4.941 8.013 1.00 0.00 H new ATOM 0 HA ARG A 7 10.690 -5.602 6.001 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.529 -6.405 8.470 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.328 -7.545 7.894 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.677 -8.482 7.948 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.912 -8.586 6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.297 -6.962 5.429 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.502 -6.096 6.938 1.00 0.00 H new ATOM 0 HE ARG A 7 14.273 -8.106 5.914 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.704 -7.184 8.988 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.987 -7.876 9.985 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.897 -8.984 7.193 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.806 -8.902 8.956 1.00 0.00 H new ATOM 61 N GLU A 8 7.869 -7.338 5.978 1.00 0.00 N ATOM 62 CA GLU A 8 6.947 -8.069 5.125 1.00 0.00 C ATOM 63 C GLU A 8 6.720 -7.308 3.817 1.00 0.00 C ATOM 64 O GLU A 8 6.807 -7.888 2.735 1.00 0.00 O ATOM 65 CB GLU A 8 5.622 -8.329 5.845 1.00 0.00 C ATOM 66 CG GLU A 8 5.757 -9.485 6.839 1.00 0.00 C ATOM 67 CD GLU A 8 5.791 -10.831 6.114 1.00 0.00 C ATOM 68 OE1 GLU A 8 6.879 -11.171 5.600 1.00 0.00 O ATOM 69 OE2 GLU A 8 4.730 -11.489 6.089 1.00 0.00 O ATOM 0 H GLU A 8 7.644 -7.367 6.972 1.00 0.00 H new ATOM 0 HA GLU A 8 7.390 -9.037 4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.306 -7.428 6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.846 -8.561 5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.668 -9.361 7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.922 -9.466 7.539 1.00 0.00 H new ATOM 70 N PHE A 9 6.433 -6.023 3.958 1.00 0.00 N ATOM 71 CA PHE A 9 6.193 -5.178 2.801 1.00 0.00 C ATOM 72 C PHE A 9 7.170 -5.505 1.671 1.00 0.00 C ATOM 73 O PHE A 9 6.767 -5.998 0.619 1.00 0.00 O ATOM 74 CB PHE A 9 6.415 -3.732 3.249 1.00 0.00 C ATOM 75 CG PHE A 9 5.873 -2.687 2.271 1.00 0.00 C ATOM 76 CD1 PHE A 9 4.543 -2.648 1.985 1.00 0.00 C ATOM 77 CD2 PHE A 9 6.720 -1.797 1.688 1.00 0.00 C ATOM 78 CE1 PHE A 9 4.040 -1.679 1.078 1.00 0.00 C ATOM 79 CE2 PHE A 9 6.217 -0.828 0.781 1.00 0.00 C ATOM 80 CZ PHE A 9 4.887 -0.789 0.495 1.00 0.00 C ATOM 0 H PHE A 9 6.361 -5.546 4.857 1.00 0.00 H new ATOM 0 HA PHE A 9 5.181 -5.337 2.428 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.941 -3.586 4.220 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.483 -3.565 3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.870 -3.354 2.448 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.775 -1.828 1.915 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.985 -1.648 0.851 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.890 -0.122 0.318 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.504 -0.051 -0.195 1.00 0.00 H new ATOM 81 N GLN A 10 8.439 -5.216 1.926 1.00 0.00 N ATOM 82 CA GLN A 10 9.477 -5.473 0.943 1.00 0.00 C ATOM 83 C GLN A 10 9.852 -6.957 0.943 1.00 0.00 C ATOM 84 O GLN A 10 9.898 -7.588 -0.112 1.00 0.00 O ATOM 85 CB GLN A 10 10.705 -4.598 1.201 1.00 0.00 C ATOM 86 CG GLN A 10 11.297 -4.082 -0.113 1.00 0.00 C ATOM 87 CD GLN A 10 12.826 -4.107 -0.071 1.00 0.00 C ATOM 88 OE1 GLN A 10 13.465 -5.096 -0.388 1.00 0.00 O ATOM 89 NE2 GLN A 10 13.375 -2.966 0.336 1.00 0.00 N ATOM 0 H GLN A 10 8.771 -4.806 2.799 1.00 0.00 H new ATOM 0 HA GLN A 10 9.089 -5.216 -0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.429 -3.756 1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.457 -5.172 1.743 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.942 -4.695 -0.942 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.951 -3.065 -0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.781 -2.175 0.587 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.390 -2.882 0.397 1.00 0.00 H new ATOM 90 N GLN A 11 10.111 -7.469 2.136 1.00 0.00 N ATOM 91 CA GLN A 11 10.480 -8.867 2.287 1.00 0.00 C ATOM 92 C GLN A 11 9.666 -9.737 1.326 1.00 0.00 C ATOM 93 O GLN A 11 10.181 -10.711 0.778 1.00 0.00 O ATOM 94 CB GLN A 11 10.296 -9.329 3.733 1.00 0.00 C ATOM 95 CG GLN A 11 11.401 -10.306 4.141 1.00 0.00 C ATOM 96 CD GLN A 11 10.818 -11.670 4.514 1.00 0.00 C ATOM 97 OE1 GLN A 11 10.766 -12.592 3.715 1.00 0.00 O ATOM 98 NE2 GLN A 11 10.383 -11.748 5.768 1.00 0.00 N ATOM 0 H GLN A 11 10.073 -6.941 3.008 1.00 0.00 H new ATOM 0 HA GLN A 11 11.536 -8.973 2.038 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.305 -8.466 4.398 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.323 -9.807 3.845 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.110 -10.422 3.321 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.956 -9.900 4.987 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.456 -10.939 6.385 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.976 -12.617 6.114 1.00 0.00 H new ATOM 99 N GLU A 12 8.410 -9.355 1.150 1.00 0.00 N ATOM 100 CA GLU A 12 7.521 -10.087 0.265 1.00 0.00 C ATOM 101 C GLU A 12 7.838 -9.760 -1.195 1.00 0.00 C ATOM 102 O GLU A 12 8.685 -10.407 -1.810 1.00 0.00 O ATOM 103 CB GLU A 12 6.056 -9.789 0.589 1.00 0.00 C ATOM 104 CG GLU A 12 5.658 -10.393 1.936 1.00 0.00 C ATOM 105 CD GLU A 12 4.925 -11.722 1.747 1.00 0.00 C ATOM 106 OE1 GLU A 12 5.144 -12.345 0.685 1.00 0.00 O ATOM 107 OE2 GLU A 12 4.161 -12.086 2.667 1.00 0.00 O ATOM 0 H GLU A 12 7.987 -8.547 1.606 1.00 0.00 H new ATOM 0 HA GLU A 12 7.683 -11.154 0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.896 -8.711 0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.417 -10.192 -0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.548 -10.548 2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.019 -9.695 2.477 1.00 0.00 H new ATOM 108 N GLN A 13 7.141 -8.757 -1.708 1.00 0.00 N ATOM 109 CA GLN A 13 7.338 -8.335 -3.085 1.00 0.00 C ATOM 110 C GLN A 13 6.323 -7.255 -3.459 1.00 0.00 C ATOM 111 O GLN A 13 5.405 -7.503 -4.240 1.00 0.00 O ATOM 112 CB GLN A 13 7.249 -9.527 -4.041 1.00 0.00 C ATOM 113 CG GLN A 13 8.643 -10.005 -4.452 1.00 0.00 C ATOM 114 CD GLN A 13 8.725 -11.533 -4.431 1.00 0.00 C ATOM 115 OE1 GLN A 13 7.968 -12.230 -5.085 1.00 0.00 O ATOM 116 NE2 GLN A 13 9.687 -12.012 -3.646 1.00 0.00 N ATOM 0 H GLN A 13 6.439 -8.224 -1.195 1.00 0.00 H new ATOM 0 HA GLN A 13 8.338 -7.912 -3.176 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.708 -10.343 -3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.681 -9.245 -4.928 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.878 -9.638 -5.451 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.389 -9.588 -3.776 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.286 -11.372 -3.125 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.825 -13.019 -3.565 1.00 0.00 H new ATOM 117 N HIS A 14 6.520 -6.077 -2.886 1.00 0.00 N ATOM 118 CA HIS A 14 5.632 -4.957 -3.149 1.00 0.00 C ATOM 119 C HIS A 14 4.655 -5.329 -4.267 1.00 0.00 C ATOM 120 O HIS A 14 5.067 -5.812 -5.320 1.00 0.00 O ATOM 121 CB HIS A 14 6.433 -3.690 -3.458 1.00 0.00 C ATOM 122 CG HIS A 14 7.300 -3.218 -2.317 1.00 0.00 C ATOM 123 ND1 HIS A 14 7.947 -1.995 -2.323 1.00 0.00 N ATOM 124 CD2 HIS A 14 7.619 -3.815 -1.133 1.00 0.00 C ATOM 125 CE1 HIS A 14 8.622 -1.873 -1.190 1.00 0.00 C ATOM 126 NE2 HIS A 14 8.419 -3.003 -0.454 1.00 0.00 N ATOM 0 H HIS A 14 7.282 -5.873 -2.240 1.00 0.00 H new ATOM 0 HA HIS A 14 5.044 -4.737 -2.258 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.064 -3.874 -4.328 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.741 -2.892 -3.729 1.00 0.00 H new ATOM 0 HD1 HIS A 14 7.910 -1.304 -3.073 1.00 0.00 H new ATOM 0 HD2 HIS A 14 7.278 -4.785 -0.804 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.227 -1.027 -0.900 1.00 0.00 H new ATOM 127 N LEU A 15 3.381 -5.088 -3.998 1.00 0.00 N ATOM 128 CA LEU A 15 2.342 -5.392 -4.968 1.00 0.00 C ATOM 129 C LEU A 15 2.835 -5.026 -6.369 1.00 0.00 C ATOM 130 O LEU A 15 3.839 -4.330 -6.515 1.00 0.00 O ATOM 131 CB LEU A 15 1.029 -4.708 -4.578 1.00 0.00 C ATOM 132 CG LEU A 15 0.793 -4.514 -3.080 1.00 0.00 C ATOM 133 CD1 LEU A 15 1.329 -5.704 -2.281 1.00 0.00 C ATOM 134 CD2 LEU A 15 1.385 -3.188 -2.599 1.00 0.00 C ATOM 0 H LEU A 15 3.044 -4.686 -3.123 1.00 0.00 H new ATOM 0 HA LEU A 15 2.128 -6.461 -4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.994 -3.731 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.203 -5.293 -4.983 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.282 -4.469 -2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.148 -5.540 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.821 -6.614 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.400 -5.806 -2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.203 -3.075 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.459 -3.179 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.916 -2.364 -3.136 1.00 0.00 H new ATOM 135 N ARG A 16 2.105 -5.508 -7.363 1.00 0.00 N ATOM 136 CA ARG A 16 2.456 -5.240 -8.748 1.00 0.00 C ATOM 137 C ARG A 16 1.283 -4.577 -9.474 1.00 0.00 C ATOM 138 O ARG A 16 1.332 -3.386 -9.779 1.00 0.00 O ATOM 139 CB ARG A 16 2.836 -6.528 -9.480 1.00 0.00 C ATOM 140 CG ARG A 16 4.346 -6.766 -9.421 1.00 0.00 C ATOM 141 CD ARG A 16 4.745 -7.971 -10.277 1.00 0.00 C ATOM 142 NE ARG A 16 5.082 -9.120 -9.408 1.00 0.00 N ATOM 143 CZ ARG A 16 5.225 -10.378 -9.849 1.00 0.00 C ATOM 144 NH1 ARG A 16 5.063 -10.656 -11.149 1.00 0.00 N ATOM 145 NH2 ARG A 16 5.532 -11.358 -8.987 1.00 0.00 N ATOM 0 H ARG A 16 1.272 -6.083 -7.238 1.00 0.00 H new ATOM 0 HA ARG A 16 3.315 -4.569 -8.748 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.313 -7.373 -9.032 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.514 -6.468 -10.520 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.872 -5.877 -9.770 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.652 -6.932 -8.388 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.928 -8.238 -10.947 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.600 -7.715 -10.903 1.00 0.00 H new ATOM 0 HE ARG A 16 5.214 -8.944 -8.412 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.831 -9.910 -11.805 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.172 -11.613 -11.483 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.656 -11.146 -7.997 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.641 -12.316 -9.321 1.00 0.00 H new ATOM 146 N ALA A 17 0.258 -5.376 -9.728 1.00 0.00 N ATOM 147 CA ALA A 17 -0.925 -4.881 -10.412 1.00 0.00 C ATOM 148 C ALA A 17 -1.103 -3.393 -10.102 1.00 0.00 C ATOM 149 O ALA A 17 -1.414 -2.603 -10.992 1.00 0.00 O ATOM 150 CB ALA A 17 -2.140 -5.712 -9.997 1.00 0.00 C ATOM 0 H ALA A 17 0.222 -6.363 -9.473 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.814 -4.982 -11.492 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.027 -5.341 -10.510 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.976 -6.756 -10.265 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.284 -5.633 -8.919 1.00 0.00 H new ATOM 151 N CYS A 18 -0.897 -3.056 -8.838 1.00 0.00 N ATOM 152 CA CYS A 18 -1.031 -1.677 -8.399 1.00 0.00 C ATOM 153 C CYS A 18 0.122 -0.870 -8.997 1.00 0.00 C ATOM 154 O CYS A 18 0.006 0.340 -9.185 1.00 0.00 O ATOM 155 CB CYS A 18 -1.074 -1.570 -6.874 1.00 0.00 C ATOM 156 SG CYS A 18 -2.454 -2.471 -6.079 1.00 0.00 S ATOM 0 H CYS A 18 -0.638 -3.714 -8.103 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.979 -1.270 -8.751 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.134 -1.946 -6.471 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.140 -0.517 -6.600 1.00 0.00 H new ATOM 157 N GLN A 19 1.210 -1.571 -9.278 1.00 0.00 N ATOM 158 CA GLN A 19 2.385 -0.934 -9.850 1.00 0.00 C ATOM 159 C GLN A 19 1.972 0.244 -10.734 1.00 0.00 C ATOM 160 O GLN A 19 2.685 1.243 -10.819 1.00 0.00 O ATOM 161 CB GLN A 19 3.226 -1.940 -10.637 1.00 0.00 C ATOM 162 CG GLN A 19 2.571 -2.274 -11.978 1.00 0.00 C ATOM 163 CD GLN A 19 3.567 -2.952 -12.921 1.00 0.00 C ATOM 164 OE1 GLN A 19 4.372 -3.825 -12.321 1.00 0.00 O flip ATOM 165 NE2 GLN A 19 3.601 -2.700 -14.115 1.00 0.00 N flip ATOM 0 H GLN A 19 1.303 -2.574 -9.120 1.00 0.00 H new ATOM 0 HA GLN A 19 3.001 -0.554 -9.035 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.222 -1.532 -10.807 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.350 -2.851 -10.052 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.715 -2.929 -11.816 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.192 -1.362 -12.439 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.954 -2.018 -14.511 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.277 -3.171 -14.717 1.00 0.00 H new ATOM 166 N GLN A 20 0.820 0.090 -11.371 1.00 0.00 N ATOM 167 CA GLN A 20 0.303 1.129 -12.245 1.00 0.00 C ATOM 168 C GLN A 20 0.202 2.456 -11.492 1.00 0.00 C ATOM 169 O GLN A 20 1.003 3.363 -11.714 1.00 0.00 O ATOM 170 CB GLN A 20 -1.051 0.727 -12.833 1.00 0.00 C ATOM 171 CG GLN A 20 -0.972 0.597 -14.356 1.00 0.00 C ATOM 172 CD GLN A 20 -0.784 -0.863 -14.772 1.00 0.00 C ATOM 173 OE1 GLN A 20 -0.584 -1.748 -13.956 1.00 0.00 O ATOM 174 NE2 GLN A 20 -0.858 -1.066 -16.084 1.00 0.00 N ATOM 0 H GLN A 20 0.230 -0.739 -11.299 1.00 0.00 H new ATOM 0 HA GLN A 20 0.999 1.258 -13.074 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.372 -0.220 -12.400 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.802 1.471 -12.567 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.882 0.993 -14.806 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.143 1.196 -14.733 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.028 -0.281 -16.713 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.745 -2.007 -16.462 1.00 0.00 H new ATOM 175 N TRP A 21 -0.789 2.528 -10.615 1.00 0.00 N ATOM 176 CA TRP A 21 -1.006 3.730 -9.827 1.00 0.00 C ATOM 177 C TRP A 21 0.297 4.054 -9.093 1.00 0.00 C ATOM 178 O TRP A 21 0.976 5.025 -9.426 1.00 0.00 O ATOM 179 CB TRP A 21 -2.197 3.558 -8.883 1.00 0.00 C ATOM 180 CG TRP A 21 -1.976 4.149 -7.489 1.00 0.00 C ATOM 181 CD1 TRP A 21 -1.947 5.441 -7.135 1.00 0.00 C ATOM 182 CD2 TRP A 21 -1.753 3.412 -6.268 1.00 0.00 C ATOM 183 NE1 TRP A 21 -1.723 5.591 -5.782 1.00 0.00 N ATOM 184 CE2 TRP A 21 -1.601 4.317 -5.238 1.00 0.00 C ATOM 185 CE3 TRP A 21 -1.682 2.025 -6.042 1.00 0.00 C ATOM 186 CZ2 TRP A 21 -1.369 3.937 -3.911 1.00 0.00 C ATOM 187 CZ3 TRP A 21 -1.450 1.662 -4.711 1.00 0.00 C ATOM 188 CH2 TRP A 21 -1.294 2.561 -3.662 1.00 0.00 C ATOM 0 H TRP A 21 -1.451 1.773 -10.433 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.263 4.572 -10.469 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -3.073 4.027 -9.331 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -2.419 2.495 -8.785 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -2.082 6.262 -7.823 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -1.659 6.473 -5.274 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.797 1.299 -6.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -1.254 4.665 -3.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -1.388 0.608 -4.482 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -1.116 2.200 -2.660 1.00 0.00 H new ATOM 189 N ILE A 22 0.607 3.224 -8.108 1.00 0.00 N ATOM 190 CA ILE A 22 1.816 3.411 -7.324 1.00 0.00 C ATOM 191 C ILE A 22 2.878 4.093 -8.188 1.00 0.00 C ATOM 192 O ILE A 22 3.560 5.010 -7.731 1.00 0.00 O ATOM 193 CB ILE A 22 2.275 2.082 -6.722 1.00 0.00 C ATOM 194 CG1 ILE A 22 2.640 1.079 -7.820 1.00 0.00 C ATOM 195 CG2 ILE A 22 1.222 1.521 -5.763 1.00 0.00 C ATOM 196 CD1 ILE A 22 4.104 1.235 -8.238 1.00 0.00 C ATOM 0 H ILE A 22 0.042 2.420 -7.835 1.00 0.00 H new ATOM 0 HA ILE A 22 1.622 4.069 -6.477 1.00 0.00 H new ATOM 0 HB ILE A 22 3.178 2.266 -6.139 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.466 0.064 -7.463 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.993 1.229 -8.684 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.574 0.576 -5.349 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.052 2.231 -4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.289 1.356 -6.303 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.339 0.512 -9.019 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.269 2.244 -8.617 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.749 1.061 -7.377 1.00 0.00 H new ATOM 197 N ARG A 23 2.985 3.622 -9.421 1.00 0.00 N ATOM 198 CA ARG A 23 3.952 4.176 -10.354 1.00 0.00 C ATOM 199 C ARG A 23 3.403 5.453 -10.991 1.00 0.00 C ATOM 200 O ARG A 23 4.092 6.472 -11.039 1.00 0.00 O ATOM 201 CB ARG A 23 4.294 3.171 -11.454 1.00 0.00 C ATOM 202 CG ARG A 23 5.356 3.734 -12.401 1.00 0.00 C ATOM 203 CD ARG A 23 4.967 3.501 -13.863 1.00 0.00 C ATOM 204 NE ARG A 23 5.927 2.571 -14.500 1.00 0.00 N ATOM 205 CZ ARG A 23 6.081 2.440 -15.824 1.00 0.00 C ATOM 206 NH1 ARG A 23 5.338 3.179 -16.660 1.00 0.00 N ATOM 207 NH2 ARG A 23 6.977 1.572 -16.312 1.00 0.00 N ATOM 0 H ARG A 23 2.418 2.862 -9.797 1.00 0.00 H new ATOM 0 HA ARG A 23 4.859 4.406 -9.794 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.655 2.245 -11.006 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.394 2.923 -12.017 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.480 4.802 -12.220 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.317 3.262 -12.197 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.959 3.091 -13.919 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.955 4.449 -14.400 1.00 0.00 H new ATOM 0 HE ARG A 23 6.508 1.994 -13.892 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.656 3.840 -16.288 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.454 3.080 -17.669 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.542 1.010 -15.675 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.094 1.473 -17.320 1.00 0.00 H new ATOM 208 N GLN A 24 2.170 5.359 -11.464 1.00 0.00 N ATOM 209 CA GLN A 24 1.521 6.494 -12.097 1.00 0.00 C ATOM 210 C GLN A 24 1.725 7.758 -11.257 1.00 0.00 C ATOM 211 O GLN A 24 1.896 8.847 -11.801 1.00 0.00 O ATOM 212 CB GLN A 24 0.033 6.220 -12.321 1.00 0.00 C ATOM 213 CG GLN A 24 -0.491 6.995 -13.532 1.00 0.00 C ATOM 214 CD GLN A 24 0.177 6.513 -14.823 1.00 0.00 C ATOM 215 OE1 GLN A 24 0.621 5.382 -14.936 1.00 0.00 O ATOM 216 NE2 GLN A 24 0.223 7.431 -15.784 1.00 0.00 N ATOM 0 H GLN A 24 1.602 4.513 -11.422 1.00 0.00 H new ATOM 0 HA GLN A 24 1.979 6.651 -13.074 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.125 5.152 -12.472 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.530 6.503 -11.432 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.571 6.870 -13.609 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.302 8.060 -13.396 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.168 8.359 -15.622 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.649 7.207 -16.683 1.00 0.00 H new ATOM 217 N GLN A 25 1.701 7.569 -9.946 1.00 0.00 N ATOM 218 CA GLN A 25 1.881 8.679 -9.026 1.00 0.00 C ATOM 219 C GLN A 25 2.892 9.678 -9.592 1.00 0.00 C ATOM 220 O GLN A 25 2.720 10.888 -9.452 1.00 0.00 O ATOM 221 CB GLN A 25 2.314 8.183 -7.645 1.00 0.00 C ATOM 222 CG GLN A 25 3.504 8.990 -7.122 1.00 0.00 C ATOM 223 CD GLN A 25 3.047 10.339 -6.564 1.00 0.00 C ATOM 224 OE1 GLN A 25 2.014 10.874 -6.931 1.00 0.00 O ATOM 225 NE2 GLN A 25 3.874 10.858 -5.660 1.00 0.00 N ATOM 0 H GLN A 25 1.560 6.663 -9.499 1.00 0.00 H new ATOM 0 HA GLN A 25 0.924 9.187 -8.909 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.480 8.264 -6.948 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.582 7.128 -7.701 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.017 8.425 -6.344 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.222 9.149 -7.926 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.723 10.357 -5.398 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.659 11.757 -5.229 1.00 0.00 H new ATOM 226 N LEU A 26 3.923 9.135 -10.221 1.00 0.00 N ATOM 227 CA LEU A 26 4.962 9.964 -10.809 1.00 0.00 C ATOM 228 C LEU A 26 4.313 11.113 -11.585 1.00 0.00 C ATOM 229 O LEU A 26 4.661 12.276 -11.383 1.00 0.00 O ATOM 230 CB LEU A 26 5.914 9.113 -11.652 1.00 0.00 C ATOM 231 CG LEU A 26 6.728 8.065 -10.892 1.00 0.00 C ATOM 232 CD1 LEU A 26 7.961 7.640 -11.693 1.00 0.00 C ATOM 233 CD2 LEU A 26 7.098 8.565 -9.495 1.00 0.00 C ATOM 0 H LEU A 26 4.062 8.131 -10.337 1.00 0.00 H new ATOM 0 HA LEU A 26 5.578 10.412 -10.030 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.331 8.605 -12.420 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.607 9.779 -12.166 1.00 0.00 H new ATOM 0 HG LEU A 26 6.106 7.179 -10.763 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.522 6.894 -11.129 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.647 7.214 -12.646 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.594 8.509 -11.875 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.676 7.800 -8.976 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.693 9.475 -9.580 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.189 8.777 -8.932 1.00 0.00 H new ATOM 234 N ALA A 27 3.385 10.747 -12.455 1.00 0.00 N ATOM 235 CA ALA A 27 2.685 11.732 -13.262 1.00 0.00 C ATOM 236 C ALA A 27 1.969 12.723 -12.341 1.00 0.00 C ATOM 237 O ALA A 27 1.984 12.565 -11.121 1.00 0.00 O ATOM 238 CB ALA A 27 1.721 11.022 -14.214 1.00 0.00 C ATOM 0 H ALA A 27 3.101 9.781 -12.619 1.00 0.00 H new ATOM 0 HA ALA A 27 3.389 12.297 -13.873 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.196 11.762 -14.819 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.281 10.351 -14.866 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.998 10.446 -13.637 1.00 0.00 H new ATOM 323 N TRP B 9 -12.971 -8.716 -9.564 1.00 0.00 N ATOM 324 CA TRP B 9 -12.145 -7.521 -9.552 1.00 0.00 C ATOM 325 C TRP B 9 -10.709 -7.941 -9.232 1.00 0.00 C ATOM 326 O TRP B 9 -10.434 -8.448 -8.146 1.00 0.00 O ATOM 327 CB TRP B 9 -12.696 -6.483 -8.572 1.00 0.00 C ATOM 328 CG TRP B 9 -13.977 -5.795 -9.049 1.00 0.00 C ATOM 329 CD1 TRP B 9 -14.108 -4.862 -10.003 1.00 0.00 C ATOM 330 CD2 TRP B 9 -15.313 -6.027 -8.553 1.00 0.00 C ATOM 331 NE1 TRP B 9 -15.424 -4.477 -10.157 1.00 0.00 N ATOM 332 CE2 TRP B 9 -16.180 -5.207 -9.247 1.00 0.00 C ATOM 333 CE3 TRP B 9 -15.773 -6.899 -7.551 1.00 0.00 C ATOM 334 CZ2 TRP B 9 -17.560 -5.180 -9.014 1.00 0.00 C ATOM 335 CZ3 TRP B 9 -17.155 -6.859 -7.330 1.00 0.00 C ATOM 336 CH2 TRP B 9 -18.041 -6.041 -8.020 1.00 0.00 C ATOM 0 HA TRP B 9 -12.156 -7.035 -10.528 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -12.891 -6.969 -7.616 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -11.933 -5.725 -8.395 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -13.286 -4.462 -10.579 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -15.777 -3.784 -10.817 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -15.113 -7.548 -6.996 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -18.218 -4.530 -9.571 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -17.561 -7.510 -6.570 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -19.096 -6.069 -7.791 1.00 0.00 H new ATOM 337 N LEU B 10 -9.832 -7.715 -10.199 1.00 0.00 N ATOM 338 CA LEU B 10 -8.431 -8.064 -10.034 1.00 0.00 C ATOM 339 C LEU B 10 -7.788 -7.112 -9.022 1.00 0.00 C ATOM 340 O LEU B 10 -6.975 -7.531 -8.201 1.00 0.00 O ATOM 341 CB LEU B 10 -7.722 -8.089 -11.389 1.00 0.00 C ATOM 342 CG LEU B 10 -8.468 -8.794 -12.523 1.00 0.00 C ATOM 343 CD1 LEU B 10 -9.178 -7.783 -13.426 1.00 0.00 C ATOM 344 CD2 LEU B 10 -7.528 -9.707 -13.314 1.00 0.00 C ATOM 0 H LEU B 10 -10.064 -7.295 -11.099 1.00 0.00 H new ATOM 0 HA LEU B 10 -8.335 -9.072 -9.631 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -7.526 -7.061 -11.693 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -6.754 -8.573 -11.261 1.00 0.00 H new ATOM 0 HG LEU B 10 -9.238 -9.428 -12.082 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -9.700 -8.311 -14.224 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -9.896 -7.212 -12.838 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -8.444 -7.105 -13.860 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -8.084 -10.196 -14.114 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -6.720 -9.114 -13.743 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -7.109 -10.462 -12.649 1.00 0.00 H new ATOM 345 N ARG B 11 -8.178 -5.850 -9.115 1.00 0.00 N ATOM 346 CA ARG B 11 -7.651 -4.836 -8.217 1.00 0.00 C ATOM 347 C ARG B 11 -7.550 -5.387 -6.793 1.00 0.00 C ATOM 348 O ARG B 11 -6.528 -5.220 -6.130 1.00 0.00 O ATOM 349 CB ARG B 11 -8.538 -3.590 -8.212 1.00 0.00 C ATOM 350 CG ARG B 11 -8.867 -3.145 -9.639 1.00 0.00 C ATOM 351 CD ARG B 11 -10.256 -3.630 -10.058 1.00 0.00 C ATOM 352 NE ARG B 11 -11.103 -2.477 -10.435 1.00 0.00 N ATOM 353 CZ ARG B 11 -11.846 -1.767 -9.560 1.00 0.00 C ATOM 354 NH1 ARG B 11 -11.852 -2.085 -8.248 1.00 0.00 N ATOM 355 NH2 ARG B 11 -12.567 -0.754 -10.006 1.00 0.00 N ATOM 0 H ARG B 11 -8.853 -5.506 -9.798 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.659 -4.561 -8.575 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -9.461 -3.798 -7.670 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -8.033 -2.782 -7.683 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.823 -2.058 -9.704 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -8.118 -3.536 -10.328 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -10.171 -4.319 -10.898 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -10.720 -4.180 -9.240 1.00 0.00 H new ATOM 0 HE ARG B 11 -11.127 -2.202 -11.417 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -11.292 -2.868 -7.910 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -12.417 -1.543 -7.594 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -12.557 -0.519 -10.998 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -13.134 -0.207 -9.358 1.00 0.00 H new ATOM 356 N GLU B 12 -8.625 -6.033 -6.367 1.00 0.00 N ATOM 357 CA GLU B 12 -8.671 -6.611 -5.034 1.00 0.00 C ATOM 358 C GLU B 12 -7.504 -7.580 -4.835 1.00 0.00 C ATOM 359 O GLU B 12 -6.880 -7.598 -3.776 1.00 0.00 O ATOM 360 CB GLU B 12 -10.010 -7.305 -4.782 1.00 0.00 C ATOM 361 CG GLU B 12 -9.905 -8.296 -3.622 1.00 0.00 C ATOM 362 CD GLU B 12 -11.260 -8.942 -3.327 1.00 0.00 C ATOM 363 OE1 GLU B 12 -12.241 -8.177 -3.213 1.00 0.00 O ATOM 364 OE2 GLU B 12 -11.285 -10.188 -3.224 1.00 0.00 O ATOM 0 H GLU B 12 -9.471 -6.169 -6.921 1.00 0.00 H new ATOM 0 HA GLU B 12 -8.576 -5.805 -4.307 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -10.774 -6.560 -4.560 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -10.328 -7.828 -5.684 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -9.175 -9.068 -3.864 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -9.542 -7.782 -2.732 1.00 0.00 H new ATOM 365 N GLN B 13 -7.245 -8.365 -5.871 1.00 0.00 N ATOM 366 CA GLN B 13 -6.165 -9.335 -5.824 1.00 0.00 C ATOM 367 C GLN B 13 -4.882 -8.676 -5.313 1.00 0.00 C ATOM 368 O GLN B 13 -4.121 -9.288 -4.564 1.00 0.00 O ATOM 369 CB GLN B 13 -5.943 -9.977 -7.195 1.00 0.00 C ATOM 370 CG GLN B 13 -5.147 -11.277 -7.069 1.00 0.00 C ATOM 371 CD GLN B 13 -5.285 -12.128 -8.333 1.00 0.00 C ATOM 372 OE1 GLN B 13 -5.957 -11.768 -9.286 1.00 0.00 O ATOM 373 NE2 GLN B 13 -4.613 -13.276 -8.289 1.00 0.00 N ATOM 0 H GLN B 13 -7.765 -8.349 -6.748 1.00 0.00 H new ATOM 0 HA GLN B 13 -6.445 -10.128 -5.130 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -6.905 -10.180 -7.666 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -5.411 -9.282 -7.844 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -4.096 -11.049 -6.893 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -5.500 -11.841 -6.206 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -4.069 -13.517 -7.460 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -4.642 -13.914 -9.084 1.00 0.00 H new ATOM 374 N CYS B 14 -4.681 -7.438 -5.739 1.00 0.00 N ATOM 375 CA CYS B 14 -3.503 -6.689 -5.333 1.00 0.00 C ATOM 376 C CYS B 14 -3.421 -6.712 -3.805 1.00 0.00 C ATOM 377 O CYS B 14 -2.498 -7.295 -3.239 1.00 0.00 O ATOM 378 CB CYS B 14 -3.524 -5.262 -5.883 1.00 0.00 C ATOM 379 SG CYS B 14 -1.874 -4.510 -6.129 1.00 0.00 S ATOM 0 H CYS B 14 -5.313 -6.934 -6.361 1.00 0.00 H new ATOM 0 HA CYS B 14 -2.610 -7.156 -5.750 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -4.053 -5.263 -6.836 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -4.096 -4.633 -5.201 1.00 0.00 H new ATOM 380 N CYS B 15 -4.398 -6.071 -3.183 1.00 0.00 N ATOM 381 CA CYS B 15 -4.448 -6.010 -1.732 1.00 0.00 C ATOM 382 C CYS B 15 -4.447 -7.441 -1.191 1.00 0.00 C ATOM 383 O CYS B 15 -3.688 -7.763 -0.278 1.00 0.00 O ATOM 384 CB CYS B 15 -5.659 -5.214 -1.240 1.00 0.00 C ATOM 385 SG CYS B 15 -5.437 -4.404 0.385 1.00 0.00 S ATOM 0 H CYS B 15 -5.162 -5.589 -3.657 1.00 0.00 H new ATOM 0 HA CYS B 15 -3.572 -5.480 -1.357 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -5.900 -4.451 -1.980 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -6.517 -5.884 -1.182 1.00 0.00 H new ATOM 386 N ASN B 16 -5.307 -8.262 -1.777 1.00 0.00 N ATOM 387 CA ASN B 16 -5.414 -9.651 -1.365 1.00 0.00 C ATOM 388 C ASN B 16 -4.018 -10.200 -1.068 1.00 0.00 C ATOM 389 O ASN B 16 -3.846 -11.008 -0.156 1.00 0.00 O ATOM 390 CB ASN B 16 -6.034 -10.507 -2.472 1.00 0.00 C ATOM 391 CG ASN B 16 -7.557 -10.555 -2.341 1.00 0.00 C ATOM 392 OD1 ASN B 16 -8.093 -9.440 -1.852 1.00 0.00 O flip ATOM 393 ND2 ASN B 16 -8.203 -11.539 -2.663 1.00 0.00 N flip ATOM 0 H ASN B 16 -5.936 -7.992 -2.533 1.00 0.00 H new ATOM 0 HA ASN B 16 -6.048 -9.692 -0.479 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -5.762 -10.100 -3.446 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -5.629 -11.518 -2.424 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -7.728 -12.363 -3.032 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -9.218 -11.538 -2.563 1.00 0.00 H new ATOM 394 N GLU B 17 -3.056 -9.740 -1.854 1.00 0.00 N ATOM 395 CA GLU B 17 -1.680 -10.174 -1.687 1.00 0.00 C ATOM 396 C GLU B 17 -1.103 -9.620 -0.383 1.00 0.00 C ATOM 397 O GLU B 17 -0.407 -10.328 0.343 1.00 0.00 O ATOM 398 CB GLU B 17 -0.824 -9.760 -2.886 1.00 0.00 C ATOM 399 CG GLU B 17 0.221 -8.718 -2.479 1.00 0.00 C ATOM 400 CD GLU B 17 1.327 -9.353 -1.633 1.00 0.00 C ATOM 401 OE1 GLU B 17 1.390 -10.601 -1.625 1.00 0.00 O ATOM 402 OE2 GLU B 17 2.084 -8.575 -1.014 1.00 0.00 O ATOM 0 H GLU B 17 -3.203 -9.070 -2.609 1.00 0.00 H new ATOM 0 HA GLU B 17 -1.667 -11.263 -1.633 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.327 -10.636 -3.302 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -1.462 -9.353 -3.670 1.00 0.00 H new ATOM 0 HG2 GLU B 17 0.655 -8.265 -3.371 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -0.258 -7.917 -1.916 1.00 0.00 H new ATOM 403 N LEU B 18 -1.413 -8.358 -0.125 1.00 0.00 N ATOM 404 CA LEU B 18 -0.934 -7.700 1.078 1.00 0.00 C ATOM 405 C LEU B 18 -1.852 -8.057 2.249 1.00 0.00 C ATOM 406 O LEU B 18 -1.384 -8.497 3.298 1.00 0.00 O ATOM 407 CB LEU B 18 -0.792 -6.194 0.846 1.00 0.00 C ATOM 408 CG LEU B 18 -1.842 -5.310 1.519 1.00 0.00 C ATOM 409 CD1 LEU B 18 -1.729 -5.387 3.043 1.00 0.00 C ATOM 410 CD2 LEU B 18 -1.754 -3.869 1.010 1.00 0.00 C ATOM 0 H LEU B 18 -1.991 -7.773 -0.729 1.00 0.00 H new ATOM 0 HA LEU B 18 0.064 -8.055 1.334 1.00 0.00 H new ATOM 0 HB2 LEU B 18 0.193 -5.884 1.195 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -0.823 -6.007 -0.227 1.00 0.00 H new ATOM 0 HG LEU B 18 -2.829 -5.687 1.250 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -2.487 -4.749 3.497 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -1.880 -6.417 3.367 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -0.739 -5.050 3.352 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -2.512 -3.261 1.505 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -0.765 -3.465 1.229 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -1.922 -3.853 -0.067 1.00 0.00 H new ATOM 411 N TYR B 19 -3.143 -7.855 2.031 1.00 0.00 N ATOM 412 CA TYR B 19 -4.131 -8.150 3.054 1.00 0.00 C ATOM 413 C TYR B 19 -3.787 -9.446 3.791 1.00 0.00 C ATOM 414 O TYR B 19 -3.915 -9.524 5.012 1.00 0.00 O ATOM 415 CB TYR B 19 -5.459 -8.333 2.318 1.00 0.00 C ATOM 416 CG TYR B 19 -6.676 -7.824 3.095 1.00 0.00 C ATOM 417 CD1 TYR B 19 -6.543 -6.766 3.969 1.00 0.00 C ATOM 418 CD2 TYR B 19 -7.907 -8.424 2.919 1.00 0.00 C ATOM 419 CE1 TYR B 19 -7.687 -6.286 4.700 1.00 0.00 C ATOM 420 CE2 TYR B 19 -9.051 -7.945 3.650 1.00 0.00 C ATOM 421 CZ TYR B 19 -8.885 -6.900 4.504 1.00 0.00 C ATOM 422 OH TYR B 19 -9.967 -6.448 5.194 1.00 0.00 O ATOM 0 H TYR B 19 -3.528 -7.490 1.160 1.00 0.00 H new ATOM 0 HA TYR B 19 -4.169 -7.349 3.792 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -5.408 -7.813 1.362 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -5.598 -9.391 2.098 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -5.580 -6.297 4.105 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -8.012 -9.252 2.234 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -7.596 -5.458 5.388 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -10.020 -8.405 3.523 1.00 0.00 H new ATOM 0 HH TYR B 19 -10.626 -6.083 4.567 1.00 0.00 H new ATOM 423 N GLN B 20 -3.356 -10.433 3.018 1.00 0.00 N ATOM 424 CA GLN B 20 -2.992 -11.721 3.580 1.00 0.00 C ATOM 425 C GLN B 20 -2.258 -11.532 4.909 1.00 0.00 C ATOM 426 O GLN B 20 -2.447 -12.308 5.844 1.00 0.00 O ATOM 427 CB GLN B 20 -2.145 -12.531 2.596 1.00 0.00 C ATOM 428 CG GLN B 20 -0.727 -11.963 2.499 1.00 0.00 C ATOM 429 CD GLN B 20 0.171 -12.544 3.593 1.00 0.00 C ATOM 430 OE1 GLN B 20 -0.280 -13.177 4.532 1.00 0.00 O ATOM 431 NE2 GLN B 20 1.466 -12.292 3.419 1.00 0.00 N ATOM 0 H GLN B 20 -3.251 -10.365 2.006 1.00 0.00 H new ATOM 0 HA GLN B 20 -3.906 -12.284 3.769 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -2.103 -13.572 2.917 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -2.614 -12.520 1.612 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -0.306 -12.190 1.519 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -0.759 -10.877 2.588 1.00 0.00 H new ATOM 0 HE21 GLN B 20 1.777 -11.755 2.609 1.00 0.00 H new ATOM 0 HE22 GLN B 20 2.148 -12.636 4.095 1.00 0.00 H new ATOM 432 N GLU B 21 -1.434 -10.494 4.951 1.00 0.00 N ATOM 433 CA GLU B 21 -0.670 -10.193 6.150 1.00 0.00 C ATOM 434 C GLU B 21 -1.612 -9.927 7.326 1.00 0.00 C ATOM 435 O GLU B 21 -2.547 -10.689 7.563 1.00 0.00 O ATOM 436 CB GLU B 21 0.266 -9.006 5.918 1.00 0.00 C ATOM 437 CG GLU B 21 1.402 -8.996 6.944 1.00 0.00 C ATOM 438 CD GLU B 21 2.532 -9.938 6.521 1.00 0.00 C ATOM 439 OE1 GLU B 21 3.101 -9.774 5.432 1.00 0.00 O ATOM 440 OE2 GLU B 21 2.812 -10.870 7.369 1.00 0.00 O ATOM 0 H GLU B 21 -1.279 -9.852 4.174 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.053 -11.058 6.393 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.681 -9.056 4.911 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -0.297 -8.075 5.985 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.790 -7.983 7.053 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.019 -9.297 7.919 1.00 0.00 H new ATOM 441 N ASP B 22 -1.333 -8.841 8.032 1.00 0.00 N ATOM 442 CA ASP B 22 -2.143 -8.464 9.179 1.00 0.00 C ATOM 443 C ASP B 22 -2.453 -6.967 9.109 1.00 0.00 C ATOM 444 O ASP B 22 -1.668 -6.193 8.565 1.00 0.00 O ATOM 445 CB ASP B 22 -1.402 -8.733 10.489 1.00 0.00 C ATOM 446 CG ASP B 22 -2.084 -8.183 11.743 1.00 0.00 C ATOM 447 OD1 ASP B 22 -3.335 -7.899 11.603 1.00 0.00 O ATOM 448 OD2 ASP B 22 -1.454 -8.034 12.800 1.00 0.00 O ATOM 0 H ASP B 22 -0.557 -8.210 7.832 1.00 0.00 H new ATOM 0 HA ASP B 22 -3.058 -9.056 9.155 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -1.278 -9.810 10.604 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -0.403 -8.303 10.419 1.00 0.00 H new ATOM 449 N GLN B 23 -3.599 -6.606 9.667 1.00 0.00 N ATOM 450 CA GLN B 23 -4.021 -5.216 9.676 1.00 0.00 C ATOM 451 C GLN B 23 -2.849 -4.307 10.046 1.00 0.00 C ATOM 452 O GLN B 23 -2.839 -3.127 9.698 1.00 0.00 O ATOM 453 CB GLN B 23 -5.199 -5.008 10.630 1.00 0.00 C ATOM 454 CG GLN B 23 -6.251 -6.105 10.452 1.00 0.00 C ATOM 455 CD GLN B 23 -6.103 -7.185 11.525 1.00 0.00 C ATOM 456 OE1 GLN B 23 -5.861 -8.400 11.041 1.00 0.00 O flip ATOM 457 NE2 GLN B 23 -6.201 -6.932 12.715 1.00 0.00 N flip ATOM 0 H GLN B 23 -4.248 -7.252 10.116 1.00 0.00 H new ATOM 0 HA GLN B 23 -4.356 -4.952 8.673 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.841 -5.006 11.660 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -5.651 -4.033 10.448 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.249 -5.669 10.505 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.151 -6.553 9.463 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -6.388 -5.977 13.020 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -6.096 -7.676 13.405 1.00 0.00 H new ATOM 458 N VAL B 24 -1.887 -4.890 10.748 1.00 0.00 N ATOM 459 CA VAL B 24 -0.711 -4.147 11.169 1.00 0.00 C ATOM 460 C VAL B 24 -0.176 -3.336 9.987 1.00 0.00 C ATOM 461 O VAL B 24 0.273 -2.204 10.159 1.00 0.00 O ATOM 462 CB VAL B 24 0.328 -5.101 11.758 1.00 0.00 C ATOM 463 CG1 VAL B 24 -0.136 -5.649 13.110 1.00 0.00 C ATOM 464 CG2 VAL B 24 0.642 -6.239 10.784 1.00 0.00 C ATOM 0 H VAL B 24 -1.898 -5.869 11.036 1.00 0.00 H new ATOM 0 HA VAL B 24 -0.968 -3.441 11.959 1.00 0.00 H new ATOM 0 HB VAL B 24 1.246 -4.537 11.922 1.00 0.00 H new ATOM 0 HG11 VAL B 24 0.621 -6.325 13.508 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -0.286 -4.823 13.805 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -1.074 -6.190 12.981 1.00 0.00 H new ATOM 0 HG21 VAL B 24 1.384 -6.903 11.227 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -0.269 -6.800 10.575 1.00 0.00 H new ATOM 0 HG23 VAL B 24 1.035 -5.825 9.855 1.00 0.00 H new ATOM 465 N CYS B 25 -0.243 -3.946 8.813 1.00 0.00 N ATOM 466 CA CYS B 25 0.230 -3.295 7.603 1.00 0.00 C ATOM 467 C CYS B 25 -0.986 -2.826 6.802 1.00 0.00 C ATOM 468 O CYS B 25 -1.179 -3.239 5.661 1.00 0.00 O ATOM 469 CB CYS B 25 1.134 -4.216 6.780 1.00 0.00 C ATOM 470 SG CYS B 25 2.113 -5.409 7.764 1.00 0.00 S ATOM 0 H CYS B 25 -0.618 -4.884 8.674 1.00 0.00 H new ATOM 0 HA CYS B 25 0.844 -2.434 7.868 1.00 0.00 H new ATOM 0 HB2 CYS B 25 0.517 -4.770 6.072 1.00 0.00 H new ATOM 0 HB3 CYS B 25 1.818 -3.602 6.194 1.00 0.00 H new ATOM 471 N VAL B 26 -1.776 -1.970 7.434 1.00 0.00 N ATOM 472 CA VAL B 26 -2.968 -1.440 6.795 1.00 0.00 C ATOM 473 C VAL B 26 -2.581 -0.262 5.899 1.00 0.00 C ATOM 474 O VAL B 26 -2.330 -0.440 4.708 1.00 0.00 O ATOM 475 CB VAL B 26 -4.009 -1.069 7.855 1.00 0.00 C ATOM 476 CG1 VAL B 26 -4.874 0.103 7.387 1.00 0.00 C ATOM 477 CG2 VAL B 26 -4.873 -2.277 8.221 1.00 0.00 C ATOM 0 H VAL B 26 -1.614 -1.631 8.382 1.00 0.00 H new ATOM 0 HA VAL B 26 -3.427 -2.195 6.157 1.00 0.00 H new ATOM 0 HB VAL B 26 -3.476 -0.754 8.752 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -5.605 0.346 8.158 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -4.241 0.971 7.200 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -5.393 -0.172 6.469 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -5.604 -1.986 8.976 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -5.392 -2.636 7.332 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -4.240 -3.071 8.616 1.00 0.00 H new ATOM 478 N CYS B 27 -2.546 0.915 6.506 1.00 0.00 N ATOM 479 CA CYS B 27 -2.194 2.122 5.777 1.00 0.00 C ATOM 480 C CYS B 27 -0.681 2.324 5.883 1.00 0.00 C ATOM 481 O CYS B 27 -0.096 3.082 5.111 1.00 0.00 O ATOM 482 CB CYS B 27 -2.968 3.338 6.290 1.00 0.00 C ATOM 483 SG CYS B 27 -2.152 4.949 5.993 1.00 0.00 S ATOM 0 H CYS B 27 -2.755 1.059 7.494 1.00 0.00 H new ATOM 0 HA CYS B 27 -2.472 2.011 4.729 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -3.950 3.352 5.817 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -3.131 3.221 7.361 1.00 0.00 H new ATOM 484 N PRO B 28 -0.074 1.611 6.870 1.00 0.00 N ATOM 485 CA PRO B 28 1.360 1.704 7.087 1.00 0.00 C ATOM 486 C PRO B 28 2.127 0.933 6.011 1.00 0.00 C ATOM 487 O PRO B 28 3.353 1.015 5.940 1.00 0.00 O ATOM 488 CB PRO B 28 1.582 1.152 8.486 1.00 0.00 C ATOM 489 CG PRO B 28 0.338 0.346 8.820 1.00 0.00 C ATOM 490 CD PRO B 28 -0.734 0.703 7.803 1.00 0.00 C ATOM 0 HA PRO B 28 1.732 2.726 7.013 1.00 0.00 H new ATOM 0 HB2 PRO B 28 2.474 0.526 8.522 1.00 0.00 H new ATOM 0 HB3 PRO B 28 1.729 1.958 9.205 1.00 0.00 H new ATOM 0 HG2 PRO B 28 0.555 -0.722 8.788 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -0.004 0.572 9.830 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -1.108 -0.185 7.293 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -1.590 1.180 8.281 1.00 0.00 H new ATOM 491 N THR B 29 1.376 0.202 5.202 1.00 0.00 N ATOM 492 CA THR B 29 1.970 -0.583 4.134 1.00 0.00 C ATOM 493 C THR B 29 2.382 0.323 2.972 1.00 0.00 C ATOM 494 O THR B 29 3.558 0.390 2.619 1.00 0.00 O ATOM 495 CB THR B 29 0.970 -1.669 3.732 1.00 0.00 C ATOM 496 OG1 THR B 29 -0.020 -1.625 4.755 1.00 0.00 O ATOM 497 CG2 THR B 29 1.559 -3.077 3.844 1.00 0.00 C ATOM 0 H THR B 29 0.360 0.137 5.265 1.00 0.00 H new ATOM 0 HA THR B 29 2.886 -1.071 4.465 1.00 0.00 H new ATOM 0 HB THR B 29 0.637 -1.495 2.709 1.00 0.00 H new ATOM 0 HG1 THR B 29 -0.626 -2.389 4.657 1.00 0.00 H new ATOM 0 HG21 THR B 29 0.809 -3.810 3.547 1.00 0.00 H new ATOM 0 HG22 THR B 29 2.427 -3.161 3.190 1.00 0.00 H new ATOM 0 HG23 THR B 29 1.861 -3.264 4.874 1.00 0.00 H new ATOM 498 N LEU B 30 1.390 0.999 2.410 1.00 0.00 N ATOM 499 CA LEU B 30 1.635 1.898 1.295 1.00 0.00 C ATOM 500 C LEU B 30 2.522 3.053 1.763 1.00 0.00 C ATOM 501 O LEU B 30 3.644 3.212 1.284 1.00 0.00 O ATOM 502 CB LEU B 30 0.313 2.352 0.672 1.00 0.00 C ATOM 503 CG LEU B 30 -0.866 1.387 0.824 1.00 0.00 C ATOM 504 CD1 LEU B 30 -0.560 0.040 0.169 1.00 0.00 C ATOM 505 CD2 LEU B 30 -1.261 1.233 2.294 1.00 0.00 C ATOM 0 H LEU B 30 0.416 0.942 2.706 1.00 0.00 H new ATOM 0 HA LEU B 30 2.174 1.382 0.501 1.00 0.00 H new ATOM 0 HB2 LEU B 30 0.034 3.308 1.116 1.00 0.00 H new ATOM 0 HB3 LEU B 30 0.477 2.530 -0.391 1.00 0.00 H new ATOM 0 HG LEU B 30 -1.724 1.811 0.302 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -1.414 -0.626 0.292 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -0.365 0.188 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU B 30 0.317 -0.403 0.641 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -2.101 0.543 2.375 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -0.415 0.843 2.859 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -1.550 2.204 2.697 1.00 0.00 H new ATOM 506 N LYS B 31 1.985 3.831 2.692 1.00 0.00 N ATOM 507 CA LYS B 31 2.715 4.966 3.229 1.00 0.00 C ATOM 508 C LYS B 31 4.192 4.594 3.381 1.00 0.00 C ATOM 509 O LYS B 31 5.070 5.429 3.173 1.00 0.00 O ATOM 510 CB LYS B 31 2.068 5.454 4.527 1.00 0.00 C ATOM 511 CG LYS B 31 3.120 5.678 5.615 1.00 0.00 C ATOM 512 CD LYS B 31 2.471 6.161 6.914 1.00 0.00 C ATOM 513 CE LYS B 31 3.315 5.765 8.127 1.00 0.00 C ATOM 514 NZ LYS B 31 4.755 5.943 7.837 1.00 0.00 N ATOM 0 H LYS B 31 1.054 3.697 3.086 1.00 0.00 H new ATOM 0 HA LYS B 31 2.668 5.809 2.539 1.00 0.00 H new ATOM 0 HB2 LYS B 31 1.528 6.383 4.341 1.00 0.00 H new ATOM 0 HB3 LYS B 31 1.336 4.723 4.870 1.00 0.00 H new ATOM 0 HG2 LYS B 31 3.662 4.750 5.798 1.00 0.00 H new ATOM 0 HG3 LYS B 31 3.850 6.412 5.274 1.00 0.00 H new ATOM 0 HD2 LYS B 31 2.354 7.244 6.886 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.472 5.735 7.006 1.00 0.00 H new ATOM 0 HE2 LYS B 31 3.033 6.372 8.987 1.00 0.00 H new ATOM 0 HE3 LYS B 31 3.117 4.726 8.392 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 5.271 6.105 8.726 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 5.124 5.088 7.374 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 4.884 6.761 7.208 1.00 0.00 H new ATOM 515 N GLN B 32 4.418 3.340 3.742 1.00 0.00 N ATOM 516 CA GLN B 32 5.772 2.846 3.925 1.00 0.00 C ATOM 517 C GLN B 32 6.588 3.050 2.647 1.00 0.00 C ATOM 518 O GLN B 32 7.740 3.476 2.702 1.00 0.00 O ATOM 519 CB GLN B 32 5.768 1.374 4.343 1.00 0.00 C ATOM 520 CG GLN B 32 6.359 1.201 5.743 1.00 0.00 C ATOM 521 CD GLN B 32 7.785 0.648 5.673 1.00 0.00 C ATOM 522 OE1 GLN B 32 8.640 1.249 6.495 1.00 0.00 O flip ATOM 523 NE2 GLN B 32 8.088 -0.264 4.920 1.00 0.00 N flip ATOM 0 H GLN B 32 3.686 2.651 3.913 1.00 0.00 H new ATOM 0 HA GLN B 32 6.240 3.416 4.728 1.00 0.00 H new ATOM 0 HB2 GLN B 32 4.748 0.990 4.325 1.00 0.00 H new ATOM 0 HB3 GLN B 32 6.343 0.787 3.627 1.00 0.00 H new ATOM 0 HG2 GLN B 32 6.362 2.160 6.261 1.00 0.00 H new ATOM 0 HG3 GLN B 32 5.732 0.526 6.325 1.00 0.00 H new ATOM 0 HE21 GLN B 32 7.381 -0.681 4.314 1.00 0.00 H new ATOM 0 HE22 GLN B 32 9.048 -0.609 4.897 1.00 0.00 H new ATOM 524 N ALA B 33 5.958 2.735 1.524 1.00 0.00 N ATOM 525 CA ALA B 33 6.611 2.879 0.234 1.00 0.00 C ATOM 526 C ALA B 33 6.690 4.363 -0.130 1.00 0.00 C ATOM 527 O ALA B 33 7.756 4.861 -0.489 1.00 0.00 O ATOM 528 CB ALA B 33 5.855 2.062 -0.815 1.00 0.00 C ATOM 0 H ALA B 33 5.002 2.381 1.481 1.00 0.00 H new ATOM 0 HA ALA B 33 7.630 2.494 0.275 1.00 0.00 H new ATOM 0 HB1 ALA B 33 6.345 2.170 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA B 33 5.852 1.011 -0.525 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.828 2.422 -0.886 1.00 0.00 H new ATOM 529 N ALA B 34 5.549 5.028 -0.025 1.00 0.00 N ATOM 530 CA ALA B 34 5.476 6.445 -0.338 1.00 0.00 C ATOM 531 C ALA B 34 6.739 7.141 0.172 1.00 0.00 C ATOM 532 O ALA B 34 7.321 7.969 -0.527 1.00 0.00 O ATOM 533 CB ALA B 34 4.201 7.036 0.265 1.00 0.00 C ATOM 0 H ALA B 34 4.667 4.611 0.273 1.00 0.00 H new ATOM 0 HA ALA B 34 5.428 6.598 -1.416 1.00 0.00 H new ATOM 0 HB1 ALA B 34 4.146 8.099 0.030 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.332 6.527 -0.152 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.215 6.904 1.347 1.00 0.00 H new ATOM 534 N LYS B 35 7.127 6.780 1.386 1.00 0.00 N ATOM 535 CA LYS B 35 8.310 7.360 1.999 1.00 0.00 C ATOM 536 C LYS B 35 9.482 7.269 1.019 1.00 0.00 C ATOM 537 O LYS B 35 10.257 8.214 0.884 1.00 0.00 O ATOM 538 CB LYS B 35 8.588 6.704 3.353 1.00 0.00 C ATOM 539 CG LYS B 35 10.086 6.700 3.662 1.00 0.00 C ATOM 540 CD LYS B 35 10.346 6.286 5.112 1.00 0.00 C ATOM 541 CE LYS B 35 11.494 5.278 5.197 1.00 0.00 C ATOM 542 NZ LYS B 35 12.722 5.841 4.593 1.00 0.00 N ATOM 0 H LYS B 35 6.642 6.092 1.962 1.00 0.00 H new ATOM 0 HA LYS B 35 8.151 8.417 2.210 1.00 0.00 H new ATOM 0 HB2 LYS B 35 8.053 7.239 4.137 1.00 0.00 H new ATOM 0 HB3 LYS B 35 8.211 5.681 3.350 1.00 0.00 H new ATOM 0 HG2 LYS B 35 10.598 6.014 2.987 1.00 0.00 H new ATOM 0 HG3 LYS B 35 10.500 7.692 3.484 1.00 0.00 H new ATOM 0 HD2 LYS B 35 10.586 7.167 5.708 1.00 0.00 H new ATOM 0 HD3 LYS B 35 9.442 5.850 5.537 1.00 0.00 H new ATOM 0 HE2 LYS B 35 11.680 5.017 6.239 1.00 0.00 H new ATOM 0 HE3 LYS B 35 11.217 4.358 4.682 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 13.551 5.321 4.944 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 12.671 5.754 3.558 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 12.808 6.845 4.852 1.00 0.00 H new ATOM 543 N SER B 36 9.573 6.123 0.361 1.00 0.00 N ATOM 544 CA SER B 36 10.638 5.896 -0.602 1.00 0.00 C ATOM 545 C SER B 36 10.264 6.514 -1.950 1.00 0.00 C ATOM 546 O SER B 36 11.095 7.149 -2.599 1.00 0.00 O ATOM 547 CB SER B 36 10.925 4.402 -0.765 1.00 0.00 C ATOM 548 OG SER B 36 12.085 3.999 -0.041 1.00 0.00 O ATOM 0 H SER B 36 8.927 5.342 0.475 1.00 0.00 H new ATOM 0 HA SER B 36 11.544 6.374 -0.229 1.00 0.00 H new ATOM 0 HB2 SER B 36 10.065 3.828 -0.420 1.00 0.00 H new ATOM 0 HB3 SER B 36 11.059 4.172 -1.822 1.00 0.00 H new ATOM 0 HG SER B 36 12.233 3.039 -0.169 1.00 0.00 H new ATOM 549 N VAL B 37 9.012 6.307 -2.334 1.00 0.00 N ATOM 550 CA VAL B 37 8.518 6.836 -3.594 1.00 0.00 C ATOM 551 C VAL B 37 9.090 8.238 -3.812 1.00 0.00 C ATOM 552 O VAL B 37 9.996 8.423 -4.624 1.00 0.00 O ATOM 553 CB VAL B 37 6.988 6.806 -3.610 1.00 0.00 C ATOM 554 CG1 VAL B 37 6.440 7.441 -4.889 1.00 0.00 C ATOM 555 CG2 VAL B 37 6.467 5.378 -3.439 1.00 0.00 C ATOM 0 H VAL B 37 8.325 5.780 -1.794 1.00 0.00 H new ATOM 0 HA VAL B 37 8.851 6.215 -4.426 1.00 0.00 H new ATOM 0 HB VAL B 37 6.632 7.396 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL B 37 5.351 7.406 -4.874 1.00 0.00 H new ATOM 0 HG12 VAL B 37 6.769 8.478 -4.950 1.00 0.00 H new ATOM 0 HG13 VAL B 37 6.809 6.891 -5.755 1.00 0.00 H new ATOM 0 HG21 VAL B 37 5.377 5.384 -3.454 1.00 0.00 H new ATOM 0 HG22 VAL B 37 6.837 4.756 -4.253 1.00 0.00 H new ATOM 0 HG23 VAL B 37 6.815 4.975 -2.488 1.00 0.00 H new ATOM 556 N ARG B 38 8.539 9.190 -3.074 1.00 0.00 N ATOM 557 CA ARG B 38 8.983 10.569 -3.177 1.00 0.00 C ATOM 558 C ARG B 38 10.494 10.625 -3.413 1.00 0.00 C ATOM 559 O ARG B 38 10.946 10.687 -4.555 1.00 0.00 O ATOM 560 CB ARG B 38 8.644 11.355 -1.909 1.00 0.00 C ATOM 561 CG ARG B 38 9.361 12.705 -1.890 1.00 0.00 C ATOM 562 CD ARG B 38 9.533 13.216 -0.458 1.00 0.00 C ATOM 563 NE ARG B 38 10.930 13.651 -0.239 1.00 0.00 N ATOM 564 CZ ARG B 38 11.466 13.892 0.975 1.00 0.00 C ATOM 565 NH1 ARG B 38 10.725 13.741 2.094 1.00 0.00 N ATOM 566 NH2 ARG B 38 12.727 14.277 1.054 1.00 0.00 N ATOM 0 H ARG B 38 7.788 9.033 -2.402 1.00 0.00 H new ATOM 0 HA ARG B 38 8.462 11.021 -4.021 1.00 0.00 H new ATOM 0 HB2 ARG B 38 7.567 11.511 -1.851 1.00 0.00 H new ATOM 0 HB3 ARG B 38 8.930 10.776 -1.031 1.00 0.00 H new ATOM 0 HG2 ARG B 38 10.337 12.609 -2.365 1.00 0.00 H new ATOM 0 HG3 ARG B 38 8.793 13.430 -2.473 1.00 0.00 H new ATOM 0 HD2 ARG B 38 8.852 14.047 -0.276 1.00 0.00 H new ATOM 0 HD3 ARG B 38 9.273 12.430 0.251 1.00 0.00 H new ATOM 0 HE ARG B 38 11.525 13.777 -1.058 1.00 0.00 H new ATOM 0 HH11 ARG B 38 9.752 13.443 2.025 1.00 0.00 H new ATOM 0 HH12 ARG B 38 11.138 13.925 3.008 1.00 0.00 H new ATOM 0 HH21 ARG B 38 13.280 14.388 0.204 1.00 0.00 H new ATOM 0 HH22 ARG B 38 13.147 14.463 1.965 1.00 0.00 H new ATOM 567 N VAL B 39 11.234 10.599 -2.314 1.00 0.00 N ATOM 568 CA VAL B 39 12.684 10.644 -2.387 1.00 0.00 C ATOM 569 C VAL B 39 13.134 10.233 -3.789 1.00 0.00 C ATOM 570 O VAL B 39 13.120 9.051 -4.128 1.00 0.00 O ATOM 571 CB VAL B 39 13.291 9.773 -1.285 1.00 0.00 C ATOM 572 CG1 VAL B 39 14.212 10.595 -0.381 1.00 0.00 C ATOM 573 CG2 VAL B 39 12.198 9.081 -0.469 1.00 0.00 C ATOM 0 H VAL B 39 10.856 10.547 -1.368 1.00 0.00 H new ATOM 0 HA VAL B 39 13.043 11.659 -2.216 1.00 0.00 H new ATOM 0 HB VAL B 39 13.893 9.000 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL B 39 14.630 9.952 0.394 1.00 0.00 H new ATOM 0 HG12 VAL B 39 15.021 11.020 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL B 39 13.642 11.399 0.084 1.00 0.00 H new ATOM 0 HG21 VAL B 39 12.656 8.468 0.307 1.00 0.00 H new ATOM 0 HG22 VAL B 39 11.558 9.833 -0.007 1.00 0.00 H new ATOM 0 HG23 VAL B 39 11.600 8.448 -1.125 1.00 0.00 H new ATOM 574 N GLN B 40 13.520 11.232 -4.569 1.00 0.00 N ATOM 575 CA GLN B 40 13.973 10.988 -5.928 1.00 0.00 C ATOM 576 C GLN B 40 13.929 9.492 -6.242 1.00 0.00 C ATOM 577 O GLN B 40 12.853 8.900 -6.313 1.00 0.00 O ATOM 578 CB GLN B 40 15.378 11.554 -6.148 1.00 0.00 C ATOM 579 CG GLN B 40 16.304 11.191 -4.985 1.00 0.00 C ATOM 580 CD GLN B 40 17.766 11.170 -5.434 1.00 0.00 C ATOM 581 OE1 GLN B 40 18.309 12.153 -5.911 1.00 0.00 O ATOM 582 NE2 GLN B 40 18.371 10.000 -5.255 1.00 0.00 N ATOM 0 H GLN B 40 13.528 12.212 -4.286 1.00 0.00 H new ATOM 0 HA GLN B 40 13.299 11.503 -6.613 1.00 0.00 H new ATOM 0 HB2 GLN B 40 15.789 11.165 -7.080 1.00 0.00 H new ATOM 0 HB3 GLN B 40 15.325 12.638 -6.251 1.00 0.00 H new ATOM 0 HG2 GLN B 40 16.178 11.912 -4.177 1.00 0.00 H new ATOM 0 HG3 GLN B 40 16.028 10.215 -4.587 1.00 0.00 H new ATOM 0 HE21 GLN B 40 17.858 9.217 -4.850 1.00 0.00 H new ATOM 0 HE22 GLN B 40 19.349 9.885 -5.523 1.00 0.00 H new ATOM 583 N GLY B 41 15.112 8.922 -6.423 1.00 0.00 N ATOM 584 CA GLY B 41 15.222 7.506 -6.728 1.00 0.00 C ATOM 585 C GLY B 41 14.339 7.132 -7.920 1.00 0.00 C ATOM 586 O GLY B 41 14.747 7.283 -9.070 1.00 0.00 O ATOM 0 H GLY B 41 16.003 9.416 -6.364 1.00 0.00 H new ATOM 0 HA2 GLY B 41 16.260 7.257 -6.948 1.00 0.00 H new ATOM 0 HA3 GLY B 41 14.931 6.919 -5.857 1.00 0.00 H new ATOM 587 N GLN B 42 13.145 6.651 -7.603 1.00 0.00 N ATOM 588 CA GLN B 42 12.202 6.253 -8.634 1.00 0.00 C ATOM 589 C GLN B 42 11.197 7.378 -8.895 1.00 0.00 C ATOM 590 O GLN B 42 10.322 7.247 -9.749 1.00 0.00 O ATOM 591 CB GLN B 42 11.486 4.957 -8.251 1.00 0.00 C ATOM 592 CG GLN B 42 11.761 3.856 -9.276 1.00 0.00 C ATOM 593 CD GLN B 42 10.697 2.758 -9.202 1.00 0.00 C ATOM 594 OE1 GLN B 42 10.136 2.471 -8.157 1.00 0.00 O ATOM 595 NE2 GLN B 42 10.451 2.164 -10.366 1.00 0.00 N ATOM 0 H GLN B 42 12.810 6.528 -6.647 1.00 0.00 H new ATOM 0 HA GLN B 42 12.756 6.065 -9.554 1.00 0.00 H new ATOM 0 HB2 GLN B 42 11.818 4.632 -7.265 1.00 0.00 H new ATOM 0 HB3 GLN B 42 10.413 5.136 -8.183 1.00 0.00 H new ATOM 0 HG2 GLN B 42 11.778 4.284 -10.278 1.00 0.00 H new ATOM 0 HG3 GLN B 42 12.746 3.425 -9.097 1.00 0.00 H new ATOM 0 HE21 GLN B 42 10.957 2.453 -11.203 1.00 0.00 H new ATOM 0 HE22 GLN B 42 9.756 1.419 -10.422 1.00 0.00 H new ATOM 596 N HIS B 43 11.357 8.458 -8.144 1.00 0.00 N ATOM 597 CA HIS B 43 10.475 9.604 -8.284 1.00 0.00 C ATOM 598 C HIS B 43 11.297 10.894 -8.230 1.00 0.00 C ATOM 599 O HIS B 43 11.180 11.670 -7.283 1.00 0.00 O ATOM 600 CB HIS B 43 9.364 9.566 -7.234 1.00 0.00 C ATOM 601 CG HIS B 43 8.172 10.430 -7.569 1.00 0.00 C ATOM 602 ND1 HIS B 43 8.100 11.664 -8.145 1.00 0.00 N flip ATOM 603 CD2 HIS B 43 6.869 10.045 -7.307 1.00 0.00 C flip ATOM 604 CE1 HIS B 43 6.822 12.013 -8.233 1.00 0.00 C flip ATOM 605 NE2 HIS B 43 6.057 11.011 -7.714 1.00 0.00 N flip ATOM 0 H HIS B 43 12.084 8.563 -7.437 1.00 0.00 H new ATOM 0 HA HIS B 43 9.980 9.569 -9.254 1.00 0.00 H new ATOM 0 HB2 HIS B 43 9.030 8.536 -7.111 1.00 0.00 H new ATOM 0 HB3 HIS B 43 9.773 9.885 -6.275 1.00 0.00 H new ATOM 0 HD1 HIS B 43 8.894 12.224 -8.456 1.00 0.00 H new ATOM 0 HD2 HIS B 43 6.565 9.115 -6.849 1.00 0.00 H new ATOM 0 HE1 HIS B 43 6.450 12.938 -8.647 1.00 0.00 H new ATOM 606 N GLY B 44 12.111 11.082 -9.259 1.00 0.00 N ATOM 607 CA GLY B 44 12.952 12.264 -9.341 1.00 0.00 C ATOM 608 C GLY B 44 12.406 13.387 -8.457 1.00 0.00 C ATOM 609 O GLY B 44 13.042 13.777 -7.479 1.00 0.00 O ATOM 0 H GLY B 44 12.206 10.436 -10.042 1.00 0.00 H new ATOM 0 HA2 GLY B 44 13.967 12.015 -9.033 1.00 0.00 H new ATOM 0 HA3 GLY B 44 13.007 12.604 -10.375 1.00 0.00 H new ATOM 610 N PRO B 45 11.203 13.890 -8.844 1.00 0.00 N ATOM 611 CA PRO B 45 10.565 14.961 -8.098 1.00 0.00 C ATOM 612 C PRO B 45 9.966 14.437 -6.790 1.00 0.00 C ATOM 613 O PRO B 45 9.644 13.255 -6.681 1.00 0.00 O ATOM 614 CB PRO B 45 9.520 15.531 -9.043 1.00 0.00 C ATOM 615 CG PRO B 45 9.294 14.467 -10.104 1.00 0.00 C ATOM 616 CD PRO B 45 10.421 13.453 -9.997 1.00 0.00 C ATOM 0 HA PRO B 45 11.268 15.735 -7.789 1.00 0.00 H new ATOM 0 HB2 PRO B 45 8.595 15.756 -8.512 1.00 0.00 H new ATOM 0 HB3 PRO B 45 9.865 16.463 -9.491 1.00 0.00 H new ATOM 0 HG2 PRO B 45 8.329 13.982 -9.958 1.00 0.00 H new ATOM 0 HG3 PRO B 45 9.278 14.916 -11.097 1.00 0.00 H new ATOM 0 HD2 PRO B 45 10.034 12.444 -9.854 1.00 0.00 H new ATOM 0 HD3 PRO B 45 11.027 13.437 -10.903 1.00 0.00 H new ATOM 617 N PHE B 46 9.833 15.343 -5.832 1.00 0.00 N ATOM 618 CA PHE B 46 9.278 14.987 -4.538 1.00 0.00 C ATOM 619 C PHE B 46 7.828 15.458 -4.415 1.00 0.00 C ATOM 620 O PHE B 46 7.492 16.562 -4.841 1.00 0.00 O ATOM 621 CB PHE B 46 10.124 15.697 -3.479 1.00 0.00 C ATOM 622 CG PHE B 46 11.560 15.991 -3.922 1.00 0.00 C ATOM 623 CD1 PHE B 46 12.475 14.987 -3.972 1.00 0.00 C ATOM 624 CD2 PHE B 46 11.918 17.256 -4.267 1.00 0.00 C ATOM 625 CE1 PHE B 46 13.806 15.260 -4.383 1.00 0.00 C ATOM 626 CE2 PHE B 46 13.249 17.529 -4.679 1.00 0.00 C ATOM 627 CZ PHE B 46 14.166 16.525 -4.728 1.00 0.00 C ATOM 0 H PHE B 46 10.100 16.323 -5.927 1.00 0.00 H new ATOM 0 HA PHE B 46 9.292 13.904 -4.412 1.00 0.00 H new ATOM 0 HB2 PHE B 46 9.639 16.635 -3.210 1.00 0.00 H new ATOM 0 HB3 PHE B 46 10.151 15.083 -2.579 1.00 0.00 H new ATOM 0 HD1 PHE B 46 12.189 13.982 -3.699 1.00 0.00 H new ATOM 0 HD2 PHE B 46 11.190 18.053 -4.228 1.00 0.00 H new ATOM 0 HE1 PHE B 46 14.533 14.462 -4.422 1.00 0.00 H new ATOM 0 HE2 PHE B 46 13.534 18.534 -4.954 1.00 0.00 H new ATOM 0 HZ PHE B 46 15.179 16.733 -5.041 1.00 0.00 H new ATOM 628 N GLN B 47 7.008 14.598 -3.830 1.00 0.00 N ATOM 629 CA GLN B 47 5.601 14.913 -3.644 1.00 0.00 C ATOM 630 C GLN B 47 4.930 13.851 -2.770 1.00 0.00 C ATOM 631 O GLN B 47 3.804 13.440 -3.042 1.00 0.00 O ATOM 632 CB GLN B 47 4.888 15.045 -4.991 1.00 0.00 C ATOM 633 CG GLN B 47 5.555 14.168 -6.053 1.00 0.00 C ATOM 634 CD GLN B 47 4.716 14.122 -7.332 1.00 0.00 C ATOM 635 OE1 GLN B 47 4.194 13.092 -7.726 1.00 0.00 O ATOM 636 NE2 GLN B 47 4.615 15.293 -7.956 1.00 0.00 N ATOM 0 H GLN B 47 7.290 13.683 -3.478 1.00 0.00 H new ATOM 0 HA GLN B 47 5.527 15.874 -3.134 1.00 0.00 H new ATOM 0 HB2 GLN B 47 3.842 14.759 -4.882 1.00 0.00 H new ATOM 0 HB3 GLN B 47 4.902 16.086 -5.313 1.00 0.00 H new ATOM 0 HG2 GLN B 47 6.548 14.556 -6.279 1.00 0.00 H new ATOM 0 HG3 GLN B 47 5.688 13.158 -5.665 1.00 0.00 H new ATOM 0 HE21 GLN B 47 5.077 16.117 -7.572 1.00 0.00 H new ATOM 0 HE22 GLN B 47 4.075 15.366 -8.818 1.00 0.00 H new ATOM 637 N SER B 48 5.651 13.439 -1.738 1.00 0.00 N ATOM 638 CA SER B 48 5.140 12.433 -0.822 1.00 0.00 C ATOM 639 C SER B 48 3.948 12.993 -0.044 1.00 0.00 C ATOM 640 O SER B 48 2.858 12.422 -0.075 1.00 0.00 O ATOM 641 CB SER B 48 6.230 11.962 0.142 1.00 0.00 C ATOM 642 OG SER B 48 6.637 10.623 -0.125 1.00 0.00 O ATOM 0 H SER B 48 6.585 13.783 -1.516 1.00 0.00 H new ATOM 0 HA SER B 48 4.813 11.572 -1.405 1.00 0.00 H new ATOM 0 HB2 SER B 48 7.092 12.625 0.066 1.00 0.00 H new ATOM 0 HB3 SER B 48 5.863 12.032 1.166 1.00 0.00 H new ATOM 0 HG SER B 48 7.335 10.360 0.511 1.00 0.00 H new ATOM 643 N THR B 49 4.194 14.103 0.637 1.00 0.00 N ATOM 644 CA THR B 49 3.154 14.745 1.422 1.00 0.00 C ATOM 645 C THR B 49 1.839 14.777 0.641 1.00 0.00 C ATOM 646 O THR B 49 0.765 14.608 1.218 1.00 0.00 O ATOM 647 CB THR B 49 3.656 16.133 1.824 1.00 0.00 C ATOM 648 OG1 THR B 49 5.074 16.003 1.829 1.00 0.00 O ATOM 649 CG2 THR B 49 3.311 16.483 3.274 1.00 0.00 C ATOM 0 H THR B 49 5.099 14.574 0.661 1.00 0.00 H new ATOM 0 HA THR B 49 2.941 14.184 2.332 1.00 0.00 H new ATOM 0 HB THR B 49 3.227 16.880 1.157 1.00 0.00 H new ATOM 0 HG1 THR B 49 5.480 16.859 2.078 1.00 0.00 H new ATOM 0 HG21 THR B 49 3.690 17.478 3.508 1.00 0.00 H new ATOM 0 HG22 THR B 49 2.229 16.467 3.405 1.00 0.00 H new ATOM 0 HG23 THR B 49 3.768 15.754 3.943 1.00 0.00 H new ATOM 650 N ARG B 50 1.965 14.995 -0.659 1.00 0.00 N ATOM 651 CA ARG B 50 0.800 15.052 -1.526 1.00 0.00 C ATOM 652 C ARG B 50 0.248 13.645 -1.765 1.00 0.00 C ATOM 653 O ARG B 50 -0.801 13.287 -1.231 1.00 0.00 O ATOM 654 CB ARG B 50 1.145 15.693 -2.872 1.00 0.00 C ATOM 655 CG ARG B 50 0.090 16.726 -3.274 1.00 0.00 C ATOM 656 CD ARG B 50 0.486 18.126 -2.800 1.00 0.00 C ATOM 657 NE ARG B 50 -0.567 19.100 -3.164 1.00 0.00 N ATOM 658 CZ ARG B 50 -0.580 20.378 -2.760 1.00 0.00 C ATOM 659 NH1 ARG B 50 0.403 20.844 -1.976 1.00 0.00 N ATOM 660 NH2 ARG B 50 -1.576 21.189 -3.140 1.00 0.00 N ATOM 0 H ARG B 50 2.857 15.134 -1.134 1.00 0.00 H new ATOM 0 HA ARG B 50 0.046 15.663 -1.029 1.00 0.00 H new ATOM 0 HB2 ARG B 50 2.123 16.171 -2.811 1.00 0.00 H new ATOM 0 HB3 ARG B 50 1.215 14.922 -3.639 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -0.031 16.725 -4.357 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -0.874 16.452 -2.846 1.00 0.00 H new ATOM 0 HD2 ARG B 50 0.634 18.125 -1.720 1.00 0.00 H new ATOM 0 HD3 ARG B 50 1.434 18.417 -3.252 1.00 0.00 H new ATOM 0 HE ARG B 50 -1.330 18.779 -3.759 1.00 0.00 H new ATOM 0 HH11 ARG B 50 1.161 20.226 -1.687 1.00 0.00 H new ATOM 0 HH12 ARG B 50 0.393 21.817 -1.669 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -2.324 20.834 -3.736 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -1.587 22.162 -2.833 1.00 0.00 H new ATOM 661 N ILE B 51 0.978 12.886 -2.568 1.00 0.00 N ATOM 662 CA ILE B 51 0.574 11.526 -2.884 1.00 0.00 C ATOM 663 C ILE B 51 -0.015 10.870 -1.635 1.00 0.00 C ATOM 664 O ILE B 51 -1.063 10.227 -1.702 1.00 0.00 O ATOM 665 CB ILE B 51 1.743 10.748 -3.493 1.00 0.00 C ATOM 666 CG1 ILE B 51 1.404 9.262 -3.622 1.00 0.00 C ATOM 667 CG2 ILE B 51 3.029 10.976 -2.697 1.00 0.00 C ATOM 668 CD1 ILE B 51 0.090 9.063 -4.379 1.00 0.00 C ATOM 0 H ILE B 51 1.847 13.186 -3.010 1.00 0.00 H new ATOM 0 HA ILE B 51 -0.209 11.528 -3.643 1.00 0.00 H new ATOM 0 HB ILE B 51 1.918 11.127 -4.500 1.00 0.00 H new ATOM 0 HG12 ILE B 51 2.210 8.745 -4.143 1.00 0.00 H new ATOM 0 HG13 ILE B 51 1.328 8.815 -2.631 1.00 0.00 H new ATOM 0 HG21 ILE B 51 3.843 10.412 -3.152 1.00 0.00 H new ATOM 0 HG22 ILE B 51 3.276 12.038 -2.702 1.00 0.00 H new ATOM 0 HG23 ILE B 51 2.885 10.642 -1.670 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -0.127 7.998 -4.457 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -0.718 9.560 -3.842 1.00 0.00 H new ATOM 0 HD13 ILE B 51 0.178 9.489 -5.378 1.00 0.00 H new ATOM 669 N TYR B 52 0.681 11.055 -0.523 1.00 0.00 N ATOM 670 CA TYR B 52 0.239 10.490 0.740 1.00 0.00 C ATOM 671 C TYR B 52 -1.282 10.575 0.877 1.00 0.00 C ATOM 672 O TYR B 52 -1.947 9.564 1.098 1.00 0.00 O ATOM 673 CB TYR B 52 0.886 11.342 1.834 1.00 0.00 C ATOM 674 CG TYR B 52 1.932 10.597 2.666 1.00 0.00 C ATOM 675 CD1 TYR B 52 2.646 9.557 2.106 1.00 0.00 C ATOM 676 CD2 TYR B 52 2.162 10.966 3.975 1.00 0.00 C ATOM 677 CE1 TYR B 52 3.630 8.856 2.890 1.00 0.00 C ATOM 678 CE2 TYR B 52 3.147 10.265 4.759 1.00 0.00 C ATOM 679 CZ TYR B 52 3.833 9.245 4.177 1.00 0.00 C ATOM 680 OH TYR B 52 4.762 8.583 4.917 1.00 0.00 O ATOM 0 H TYR B 52 1.549 11.589 -0.471 1.00 0.00 H new ATOM 0 HA TYR B 52 0.520 9.439 0.808 1.00 0.00 H new ATOM 0 HB2 TYR B 52 1.355 12.211 1.373 1.00 0.00 H new ATOM 0 HB3 TYR B 52 0.107 11.715 2.498 1.00 0.00 H new ATOM 0 HD1 TYR B 52 2.467 9.269 1.081 1.00 0.00 H new ATOM 0 HD2 TYR B 52 1.604 11.780 4.412 1.00 0.00 H new ATOM 0 HE1 TYR B 52 4.194 8.039 2.465 1.00 0.00 H new ATOM 0 HE2 TYR B 52 3.336 10.543 5.785 1.00 0.00 H new ATOM 0 HH TYR B 52 4.800 8.970 5.817 1.00 0.00 H new ATOM 681 N GLN B 53 -1.789 11.791 0.739 1.00 0.00 N ATOM 682 CA GLN B 53 -3.220 12.023 0.845 1.00 0.00 C ATOM 683 C GLN B 53 -3.909 11.697 -0.482 1.00 0.00 C ATOM 684 O GLN B 53 -4.976 11.086 -0.497 1.00 0.00 O ATOM 685 CB GLN B 53 -3.512 13.460 1.276 1.00 0.00 C ATOM 686 CG GLN B 53 -2.935 13.745 2.665 1.00 0.00 C ATOM 687 CD GLN B 53 -2.534 15.215 2.801 1.00 0.00 C ATOM 688 OE1 GLN B 53 -2.282 15.909 1.829 1.00 0.00 O ATOM 689 NE2 GLN B 53 -2.488 15.648 4.058 1.00 0.00 N ATOM 0 H GLN B 53 -1.234 12.627 0.555 1.00 0.00 H new ATOM 0 HA GLN B 53 -3.620 11.361 1.613 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -3.086 14.154 0.552 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.589 13.629 1.284 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -3.672 13.493 3.428 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.067 13.110 2.839 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -2.711 15.013 4.825 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -2.230 16.615 4.255 1.00 0.00 H new ATOM 690 N ILE B 54 -3.270 12.121 -1.563 1.00 0.00 N ATOM 691 CA ILE B 54 -3.809 11.882 -2.891 1.00 0.00 C ATOM 692 C ILE B 54 -4.397 10.471 -2.953 1.00 0.00 C ATOM 693 O ILE B 54 -5.604 10.290 -2.806 1.00 0.00 O ATOM 694 CB ILE B 54 -2.745 12.152 -3.957 1.00 0.00 C ATOM 695 CG1 ILE B 54 -2.134 13.543 -3.782 1.00 0.00 C ATOM 696 CG2 ILE B 54 -3.313 11.948 -5.363 1.00 0.00 C ATOM 697 CD1 ILE B 54 -2.546 14.472 -4.926 1.00 0.00 C ATOM 0 H ILE B 54 -2.385 12.628 -1.546 1.00 0.00 H new ATOM 0 HA ILE B 54 -4.623 12.576 -3.102 1.00 0.00 H new ATOM 0 HB ILE B 54 -1.940 11.428 -3.827 1.00 0.00 H new ATOM 0 HG12 ILE B 54 -2.455 13.968 -2.831 1.00 0.00 H new ATOM 0 HG13 ILE B 54 -1.047 13.465 -3.746 1.00 0.00 H new ATOM 0 HG21 ILE B 54 -2.536 12.146 -6.102 1.00 0.00 H new ATOM 0 HG22 ILE B 54 -3.661 10.921 -5.469 1.00 0.00 H new ATOM 0 HG23 ILE B 54 -4.147 12.632 -5.521 1.00 0.00 H new ATOM 0 HD11 ILE B 54 -2.098 15.454 -4.776 1.00 0.00 H new ATOM 0 HD12 ILE B 54 -2.203 14.057 -5.874 1.00 0.00 H new ATOM 0 HD13 ILE B 54 -3.632 14.568 -4.944 1.00 0.00 H new ATOM 698 N ALA B 55 -3.515 9.505 -3.170 1.00 0.00 N ATOM 699 CA ALA B 55 -3.932 8.116 -3.253 1.00 0.00 C ATOM 700 C ALA B 55 -3.926 7.503 -1.851 1.00 0.00 C ATOM 701 O ALA B 55 -3.684 8.198 -0.866 1.00 0.00 O ATOM 702 CB ALA B 55 -3.016 7.365 -4.222 1.00 0.00 C ATOM 0 H ALA B 55 -2.514 9.658 -3.291 1.00 0.00 H new ATOM 0 HA ALA B 55 -4.948 8.042 -3.641 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -3.329 6.323 -4.284 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -3.078 7.822 -5.210 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -1.988 7.414 -3.863 1.00 0.00 H new ATOM 703 N LYS B 56 -4.196 6.206 -1.807 1.00 0.00 N ATOM 704 CA LYS B 56 -4.226 5.491 -0.543 1.00 0.00 C ATOM 705 C LYS B 56 -4.778 4.083 -0.771 1.00 0.00 C ATOM 706 O LYS B 56 -4.699 3.230 0.113 1.00 0.00 O ATOM 707 CB LYS B 56 -4.998 6.291 0.508 1.00 0.00 C ATOM 708 CG LYS B 56 -6.183 7.024 -0.124 1.00 0.00 C ATOM 709 CD LYS B 56 -6.067 8.535 0.083 1.00 0.00 C ATOM 710 CE LYS B 56 -7.271 9.078 0.857 1.00 0.00 C ATOM 711 NZ LYS B 56 -8.272 9.644 -0.074 1.00 0.00 N ATOM 0 H LYS B 56 -4.396 5.632 -2.626 1.00 0.00 H new ATOM 0 HA LYS B 56 -3.217 5.378 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS B 56 -5.355 5.621 1.290 1.00 0.00 H new ATOM 0 HB3 LYS B 56 -4.332 7.011 0.984 1.00 0.00 H new ATOM 0 HG2 LYS B 56 -6.226 6.802 -1.190 1.00 0.00 H new ATOM 0 HG3 LYS B 56 -7.114 6.664 0.314 1.00 0.00 H new ATOM 0 HD2 LYS B 56 -5.149 8.762 0.626 1.00 0.00 H new ATOM 0 HD3 LYS B 56 -5.997 9.034 -0.884 1.00 0.00 H new ATOM 0 HE2 LYS B 56 -7.723 8.279 1.445 1.00 0.00 H new ATOM 0 HE3 LYS B 56 -6.944 9.845 1.559 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 -9.082 10.008 0.467 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 -7.842 10.420 -0.617 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 -8.597 8.903 -0.727 1.00 0.00 H new ATOM 712 N ASN B 57 -5.324 3.881 -1.961 1.00 0.00 N ATOM 713 CA ASN B 57 -5.889 2.591 -2.316 1.00 0.00 C ATOM 714 C ASN B 57 -5.753 2.377 -3.825 1.00 0.00 C ATOM 715 O ASN B 57 -5.468 1.269 -4.276 1.00 0.00 O ATOM 716 CB ASN B 57 -7.376 2.525 -1.962 1.00 0.00 C ATOM 717 CG ASN B 57 -7.841 1.074 -1.816 1.00 0.00 C ATOM 718 OD1 ASN B 57 -7.178 0.239 -1.221 1.00 0.00 O ATOM 719 ND2 ASN B 57 -9.013 0.821 -2.390 1.00 0.00 N ATOM 0 H ASN B 57 -5.387 4.590 -2.692 1.00 0.00 H new ATOM 0 HA ASN B 57 -5.351 1.823 -1.760 1.00 0.00 H new ATOM 0 HB2 ASN B 57 -7.556 3.064 -1.032 1.00 0.00 H new ATOM 0 HB3 ASN B 57 -7.960 3.022 -2.737 1.00 0.00 H new ATOM 0 HD21 ASN B 57 -9.409 -0.118 -2.348 1.00 0.00 H new ATOM 0 HD22 ASN B 57 -9.516 1.566 -2.872 1.00 0.00 H new ATOM 720 N LEU B 58 -5.963 3.457 -4.564 1.00 0.00 N ATOM 721 CA LEU B 58 -5.866 3.402 -6.013 1.00 0.00 C ATOM 722 C LEU B 58 -6.577 4.616 -6.614 1.00 0.00 C ATOM 723 O LEU B 58 -6.032 5.291 -7.487 1.00 0.00 O ATOM 724 CB LEU B 58 -6.391 2.062 -6.535 1.00 0.00 C ATOM 725 CG LEU B 58 -5.329 1.042 -6.949 1.00 0.00 C ATOM 726 CD1 LEU B 58 -5.947 -0.086 -7.778 1.00 0.00 C ATOM 727 CD2 LEU B 58 -4.169 1.722 -7.678 1.00 0.00 C ATOM 0 H LEU B 58 -6.200 4.375 -4.187 1.00 0.00 H new ATOM 0 HA LEU B 58 -4.823 3.454 -6.327 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -7.016 1.613 -5.763 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -7.035 2.256 -7.393 1.00 0.00 H new ATOM 0 HG LEU B 58 -4.919 0.590 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -5.171 -0.798 -8.060 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -6.710 -0.595 -7.189 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -6.401 0.330 -8.677 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -3.429 0.974 -7.961 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -4.543 2.219 -8.573 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -3.708 2.458 -7.020 1.00 0.00 H new ATOM 728 N PRO B 59 -7.815 4.865 -6.110 1.00 0.00 N ATOM 729 CA PRO B 59 -8.388 4.017 -5.078 1.00 0.00 C ATOM 730 C PRO B 59 -8.855 2.683 -5.662 1.00 0.00 C ATOM 731 O PRO B 59 -9.369 2.635 -6.779 1.00 0.00 O ATOM 732 CB PRO B 59 -9.522 4.834 -4.481 1.00 0.00 C ATOM 733 CG PRO B 59 -9.841 5.913 -5.504 1.00 0.00 C ATOM 734 CD PRO B 59 -8.700 5.956 -6.507 1.00 0.00 C ATOM 0 HA PRO B 59 -7.665 3.744 -4.309 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -10.394 4.209 -4.287 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -9.227 5.274 -3.528 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -10.783 5.696 -6.007 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -9.956 6.880 -5.015 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -9.063 5.820 -7.526 1.00 0.00 H new ATOM 0 HD3 PRO B 59 -8.183 6.915 -6.478 1.00 0.00 H new ATOM 735 N ASN B 60 -8.661 1.631 -4.879 1.00 0.00 N ATOM 736 CA ASN B 60 -9.056 0.299 -5.305 1.00 0.00 C ATOM 737 C ASN B 60 -8.305 -0.742 -4.473 1.00 0.00 C ATOM 738 O ASN B 60 -8.920 -1.523 -3.747 1.00 0.00 O ATOM 739 CB ASN B 60 -8.711 0.066 -6.778 1.00 0.00 C ATOM 740 CG ASN B 60 -9.949 0.221 -7.663 1.00 0.00 C ATOM 741 OD1 ASN B 60 -11.060 0.404 -7.194 1.00 0.00 O ATOM 742 ND2 ASN B 60 -9.695 0.138 -8.966 1.00 0.00 N ATOM 0 H ASN B 60 -8.236 1.674 -3.953 1.00 0.00 H new ATOM 0 HA ASN B 60 -10.134 0.208 -5.168 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -7.944 0.774 -7.092 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -8.293 -0.933 -6.904 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -10.455 0.229 -9.640 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -8.740 -0.017 -9.291 1.00 0.00 H new ATOM 743 N VAL B 61 -6.987 -0.720 -4.606 1.00 0.00 N ATOM 744 CA VAL B 61 -6.146 -1.652 -3.874 1.00 0.00 C ATOM 745 C VAL B 61 -7.028 -2.573 -3.029 1.00 0.00 C ATOM 746 O VAL B 61 -7.296 -3.710 -3.417 1.00 0.00 O ATOM 747 CB VAL B 61 -5.114 -0.885 -3.044 1.00 0.00 C ATOM 748 CG1 VAL B 61 -4.711 -1.681 -1.801 1.00 0.00 C ATOM 749 CG2 VAL B 61 -3.889 -0.526 -3.888 1.00 0.00 C ATOM 0 H VAL B 61 -6.481 -0.072 -5.209 1.00 0.00 H new ATOM 0 HA VAL B 61 -5.585 -2.283 -4.564 1.00 0.00 H new ATOM 0 HB VAL B 61 -5.575 0.045 -2.711 1.00 0.00 H new ATOM 0 HG11 VAL B 61 -3.977 -1.114 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -5.591 -1.862 -1.184 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -4.278 -2.634 -2.104 1.00 0.00 H new ATOM 0 HG21 VAL B 61 -3.171 0.018 -3.274 1.00 0.00 H new ATOM 0 HG22 VAL B 61 -3.426 -1.438 -4.264 1.00 0.00 H new ATOM 0 HG23 VAL B 61 -4.196 0.098 -4.727 1.00 0.00 H new ATOM 750 N CYS B 62 -7.455 -2.050 -1.889 1.00 0.00 N ATOM 751 CA CYS B 62 -8.301 -2.812 -0.986 1.00 0.00 C ATOM 752 C CYS B 62 -9.747 -2.351 -1.179 1.00 0.00 C ATOM 753 O CYS B 62 -10.621 -3.154 -1.497 1.00 0.00 O ATOM 754 CB CYS B 62 -7.846 -2.671 0.468 1.00 0.00 C ATOM 755 SG CYS B 62 -7.070 -4.170 1.177 1.00 0.00 S ATOM 0 H CYS B 62 -7.231 -1.107 -1.570 1.00 0.00 H new ATOM 0 HA CYS B 62 -8.225 -3.874 -1.221 1.00 0.00 H new ATOM 0 HB2 CYS B 62 -7.137 -1.846 0.534 1.00 0.00 H new ATOM 0 HB3 CYS B 62 -8.707 -2.401 1.079 1.00 0.00 H new ATOM 756 N ASN B 63 -9.953 -1.057 -0.979 1.00 0.00 N ATOM 757 CA ASN B 63 -11.278 -0.480 -1.127 1.00 0.00 C ATOM 758 C ASN B 63 -12.002 -0.523 0.220 1.00 0.00 C ATOM 759 O ASN B 63 -13.229 -0.450 0.273 1.00 0.00 O ATOM 760 CB ASN B 63 -12.113 -1.268 -2.137 1.00 0.00 C ATOM 761 CG ASN B 63 -13.064 -0.345 -2.902 1.00 0.00 C ATOM 762 OD1 ASN B 63 -13.317 0.785 -2.518 1.00 0.00 O ATOM 763 ND2 ASN B 63 -13.574 -0.888 -4.005 1.00 0.00 N ATOM 0 H ASN B 63 -9.225 -0.393 -0.716 1.00 0.00 H new ATOM 0 HA ASN B 63 -11.161 0.545 -1.478 1.00 0.00 H new ATOM 0 HB2 ASN B 63 -11.454 -1.779 -2.839 1.00 0.00 H new ATOM 0 HB3 ASN B 63 -12.686 -2.037 -1.619 1.00 0.00 H new ATOM 0 HD21 ASN B 63 -14.219 -0.352 -4.586 1.00 0.00 H new ATOM 0 HD22 ASN B 63 -13.320 -1.840 -4.269 1.00 0.00 H new ATOM 764 N MET B 64 -11.212 -0.641 1.277 1.00 0.00 N ATOM 765 CA MET B 64 -11.762 -0.695 2.621 1.00 0.00 C ATOM 766 C MET B 64 -11.283 0.494 3.457 1.00 0.00 C ATOM 767 O MET B 64 -10.229 0.429 4.088 1.00 0.00 O ATOM 768 CB MET B 64 -11.335 -1.999 3.296 1.00 0.00 C ATOM 769 CG MET B 64 -11.388 -3.169 2.311 1.00 0.00 C ATOM 770 SD MET B 64 -10.843 -4.668 3.114 1.00 0.00 S ATOM 771 CE MET B 64 -9.193 -4.181 3.589 1.00 0.00 C ATOM 0 H MET B 64 -10.195 -0.701 1.230 1.00 0.00 H new ATOM 0 HA MET B 64 -12.849 -0.652 2.551 1.00 0.00 H new ATOM 0 HB2 MET B 64 -10.324 -1.895 3.689 1.00 0.00 H new ATOM 0 HB3 MET B 64 -11.987 -2.204 4.145 1.00 0.00 H new ATOM 0 HG2 MET B 64 -12.404 -3.295 1.938 1.00 0.00 H new ATOM 0 HG3 MET B 64 -10.756 -2.958 1.449 1.00 0.00 H new ATOM 0 HE1 MET B 64 -8.466 -4.812 3.078 1.00 0.00 H new ATOM 0 HE2 MET B 64 -9.027 -3.140 3.312 1.00 0.00 H new ATOM 0 HE3 MET B 64 -9.077 -4.293 4.667 1.00 0.00 H new ATOM 772 N LYS B 65 -12.082 1.552 3.435 1.00 0.00 N ATOM 773 CA LYS B 65 -11.752 2.753 4.184 1.00 0.00 C ATOM 774 C LYS B 65 -11.859 2.461 5.681 1.00 0.00 C ATOM 775 O LYS B 65 -11.643 3.346 6.507 1.00 0.00 O ATOM 776 CB LYS B 65 -12.619 3.925 3.723 1.00 0.00 C ATOM 777 CG LYS B 65 -12.907 3.839 2.223 1.00 0.00 C ATOM 778 CD LYS B 65 -13.145 5.228 1.628 1.00 0.00 C ATOM 779 CE LYS B 65 -13.972 6.096 2.579 1.00 0.00 C ATOM 780 NZ LYS B 65 -15.219 5.399 2.966 1.00 0.00 N ATOM 0 H LYS B 65 -12.956 1.602 2.911 1.00 0.00 H new ATOM 0 HA LYS B 65 -10.722 3.052 3.991 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -13.558 3.927 4.277 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -12.114 4.865 3.946 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -12.069 3.361 1.715 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -13.782 3.212 2.053 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -12.189 5.711 1.428 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -13.661 5.135 0.673 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -13.388 6.329 3.469 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -14.213 7.044 2.099 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -16.033 6.023 2.794 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -15.322 4.532 2.401 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -15.180 5.152 3.975 1.00 0.00 H new ATOM 781 N GLN B 66 -12.192 1.215 5.987 1.00 0.00 N ATOM 782 CA GLN B 66 -12.330 0.794 7.371 1.00 0.00 C ATOM 783 C GLN B 66 -10.952 0.640 8.019 1.00 0.00 C ATOM 784 O GLN B 66 -10.694 1.205 9.079 1.00 0.00 O ATOM 785 CB GLN B 66 -13.133 -0.504 7.473 1.00 0.00 C ATOM 786 CG GLN B 66 -12.908 -1.384 6.242 1.00 0.00 C ATOM 787 CD GLN B 66 -13.953 -1.092 5.161 1.00 0.00 C ATOM 788 OE1 GLN B 66 -14.404 0.027 4.984 1.00 0.00 O ATOM 789 NE2 GLN B 66 -14.310 -2.161 4.453 1.00 0.00 N ATOM 0 H GLN B 66 -12.370 0.483 5.299 1.00 0.00 H new ATOM 0 HA GLN B 66 -12.880 1.565 7.911 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -12.841 -1.047 8.372 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -14.194 -0.273 7.571 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -11.909 -1.210 5.843 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -12.958 -2.435 6.527 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -13.892 -3.069 4.655 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -15.002 -2.072 3.709 1.00 0.00 H new ATOM 790 N ILE B 67 -10.105 -0.131 7.353 1.00 0.00 N ATOM 791 CA ILE B 67 -8.759 -0.368 7.850 1.00 0.00 C ATOM 792 C ILE B 67 -7.926 0.903 7.678 1.00 0.00 C ATOM 793 O ILE B 67 -7.792 1.693 8.612 1.00 0.00 O ATOM 794 CB ILE B 67 -8.149 -1.600 7.177 1.00 0.00 C ATOM 795 CG1 ILE B 67 -8.895 -1.947 5.888 1.00 0.00 C ATOM 796 CG2 ILE B 67 -8.096 -2.783 8.146 1.00 0.00 C ATOM 797 CD1 ILE B 67 -10.080 -2.872 6.173 1.00 0.00 C ATOM 0 H ILE B 67 -10.324 -0.600 6.474 1.00 0.00 H new ATOM 0 HA ILE B 67 -8.780 -0.594 8.916 1.00 0.00 H new ATOM 0 HB ILE B 67 -7.122 -1.365 6.899 1.00 0.00 H new ATOM 0 HG12 ILE B 67 -9.249 -1.033 5.411 1.00 0.00 H new ATOM 0 HG13 ILE B 67 -8.213 -2.429 5.187 1.00 0.00 H new ATOM 0 HG21 ILE B 67 -7.659 -3.646 7.643 1.00 0.00 H new ATOM 0 HG22 ILE B 67 -7.486 -2.519 9.010 1.00 0.00 H new ATOM 0 HG23 ILE B 67 -9.105 -3.029 8.476 1.00 0.00 H new ATOM 0 HD11 ILE B 67 -10.594 -3.103 5.240 1.00 0.00 H new ATOM 0 HD12 ILE B 67 -9.720 -3.795 6.628 1.00 0.00 H new ATOM 0 HD13 ILE B 67 -10.772 -2.377 6.855 1.00 0.00 H new ATOM 798 N GLY B 68 -7.387 1.062 6.478 1.00 0.00 N ATOM 799 CA GLY B 68 -6.569 2.224 6.172 1.00 0.00 C ATOM 800 C GLY B 68 -6.010 2.141 4.750 1.00 0.00 C ATOM 801 O GLY B 68 -5.695 1.055 4.265 1.00 0.00 O ATOM 0 H GLY B 68 -7.501 0.405 5.706 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -7.164 3.131 6.281 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -5.748 2.294 6.886 1.00 0.00 H new ATOM 802 N THR B 69 -5.903 3.303 4.123 1.00 0.00 N ATOM 803 CA THR B 69 -5.387 3.375 2.766 1.00 0.00 C ATOM 804 C THR B 69 -4.264 4.413 2.678 1.00 0.00 C ATOM 805 O THR B 69 -4.317 5.447 3.340 1.00 0.00 O ATOM 806 CB THR B 69 -6.560 3.667 1.828 1.00 0.00 C ATOM 807 OG1 THR B 69 -7.422 4.497 2.601 1.00 0.00 O ATOM 808 CG2 THR B 69 -7.401 2.423 1.539 1.00 0.00 C ATOM 0 H THR B 69 -6.164 4.202 4.529 1.00 0.00 H new ATOM 0 HA THR B 69 -4.938 2.429 2.462 1.00 0.00 H new ATOM 0 HB THR B 69 -6.183 4.076 0.890 1.00 0.00 H new ATOM 0 HG1 THR B 69 -8.209 4.736 2.069 1.00 0.00 H new ATOM 0 HG21 THR B 69 -8.220 2.685 0.869 1.00 0.00 H new ATOM 0 HG22 THR B 69 -6.777 1.663 1.069 1.00 0.00 H new ATOM 0 HG23 THR B 69 -7.807 2.033 2.473 1.00 0.00 H new ATOM 809 N CYS B 70 -3.277 4.099 1.853 1.00 0.00 N ATOM 810 CA CYS B 70 -2.144 4.991 1.668 1.00 0.00 C ATOM 811 C CYS B 70 -1.433 4.604 0.371 1.00 0.00 C ATOM 812 O CYS B 70 -1.632 3.505 -0.146 1.00 0.00 O ATOM 813 CB CYS B 70 -1.197 4.958 2.869 1.00 0.00 C ATOM 814 SG CYS B 70 -1.772 5.904 4.327 1.00 0.00 S ATOM 0 H CYS B 70 -3.238 3.240 1.305 1.00 0.00 H new ATOM 0 HA CYS B 70 -2.497 6.020 1.594 1.00 0.00 H new ATOM 0 HB2 CYS B 70 -1.044 3.920 3.164 1.00 0.00 H new ATOM 0 HB3 CYS B 70 -0.227 5.348 2.560 1.00 0.00 H new