USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=17 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 57 ASN :FLIP amide:sc= -12.8! C(o=-29!,f=-23!) USER MOD Set 1.2: B 69 THR OG1 : rot 163:sc= -10.1! USER MOD Set 2.1: B 43 HIS : no HE2:sc= -2.47! C(o=-4.6!,f=-5.5!) USER MOD Set 2.2: B 48 SER OG : rot 180:sc= -1.12! USER MOD Set 2.3: B 56 LYS NZ :NH3+ -157:sc= -0.978! (180deg=-0.232) USER MOD Set 3.1: B 31 LYS NZ :NH3+ -173:sc= 0 (180deg=0) USER MOD Set 3.2: B 32 GLN : amide:sc= -3.07 K(o=-3.1,f=-3.8!) USER MOD Single : A 1 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.15) USER MOD Single : A 1 GLN N :NH3+ -140:sc= -2.32 (180deg=-4.42!) 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= -0.0994 X(o=-0.099,f=-0.19) USER MOD Single : A 10 GLN : amide:sc= -0.0867 K(o=-0.087,f=-2.1!) USER MOD Single : A 11 GLN : amide:sc= -4.67! C(o=-4.7!,f=-7.1!) USER MOD Single : A 13 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.11) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -21! C(o=-25!,f=-21!) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.317 F(o=-0.9,f=-0.32) USER MOD Single : A 20 GLN : amide:sc= -0.423 K(o=-0.42,f=-2.6!) USER MOD Single : A 24 GLN : amide:sc= -0.0168 X(o=-0.017,f=-0.25) USER MOD Single : A 25 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.74) USER MOD Single : B 13 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.7) USER MOD Single : B 16 ASN :FLIP amide:sc=-0.00513 F(o=-1.6,f=-0.0051) USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= -0.257 K(o=-0.26,f=-2.7!) USER MOD Single : B 23 GLN : amide:sc= -3.18! C(o=-3.2!,f=-5.1!) USER MOD Single : B 29 THR OG1 : rot 79:sc= -6.28! 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= -1 X(o=-1,f=-1.1) USER MOD Single : B 42 GLN :FLIP amide:sc= -1.28 F(o=-2.6!,f=-1.3) USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 52 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 60 ASN : amide:sc= -2.35! C(o=-2.4!,f=-2.3!) USER MOD Single : B 63 ASN : amide:sc= -3.41! C(o=-3.4!,f=-4.2!) USER MOD Single : B 64 MET CE :methyl -111:sc= -8.06! (180deg=-11.7!) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc=-0.00942 X(o=-0.0094,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 4.898 0.939 15.438 1.00 0.00 N ATOM 2 CA GLN A 1 6.101 1.075 14.633 1.00 0.00 C ATOM 3 C GLN A 1 6.772 -0.287 14.449 1.00 0.00 C ATOM 4 O GLN A 1 7.869 -0.516 14.955 1.00 0.00 O ATOM 5 CB GLN A 1 7.067 2.083 15.258 1.00 0.00 C ATOM 6 CG GLN A 1 6.334 3.359 15.676 1.00 0.00 C ATOM 7 CD GLN A 1 5.999 3.335 17.169 1.00 0.00 C ATOM 8 OE1 GLN A 1 6.859 3.193 18.022 1.00 0.00 O ATOM 9 NE2 GLN A 1 4.704 3.479 17.435 1.00 0.00 N ATOM 0 H1 GLN A 1 4.150 1.549 15.050 1.00 0.00 H new ATOM 0 H2 GLN A 1 4.580 -0.051 15.422 1.00 0.00 H new ATOM 0 H3 GLN A 1 5.102 1.222 16.418 1.00 0.00 H new ATOM 0 HA GLN A 1 5.818 1.454 13.651 1.00 0.00 H new ATOM 0 HB2 GLN A 1 7.552 1.637 16.126 1.00 0.00 H new ATOM 0 HB3 GLN A 1 7.854 2.328 14.545 1.00 0.00 H new ATOM 0 HG2 GLN A 1 6.953 4.228 15.452 1.00 0.00 H new ATOM 0 HG3 GLN A 1 5.417 3.463 15.096 1.00 0.00 H new ATOM 0 HE21 GLN A 1 4.036 3.594 16.672 1.00 0.00 H new ATOM 0 HE22 GLN A 1 4.378 3.475 18.402 1.00 0.00 H new ATOM 10 N PRO A 2 6.067 -1.179 13.703 1.00 0.00 N ATOM 11 CA PRO A 2 6.583 -2.513 13.446 1.00 0.00 C ATOM 12 C PRO A 2 7.703 -2.475 12.404 1.00 0.00 C ATOM 13 O PRO A 2 7.538 -1.900 11.329 1.00 0.00 O ATOM 14 CB PRO A 2 5.378 -3.322 12.993 1.00 0.00 C ATOM 15 CG PRO A 2 4.331 -2.304 12.569 1.00 0.00 C ATOM 16 CD PRO A 2 4.765 -0.944 13.088 1.00 0.00 C ATOM 0 HA PRO A 2 7.040 -2.964 14.327 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.639 -3.982 12.166 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.005 -3.953 13.800 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.235 -2.285 11.483 1.00 0.00 H new ATOM 0 HG3 PRO A 2 3.354 -2.572 12.971 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.835 -0.216 12.280 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.051 -0.550 13.811 1.00 0.00 H new ATOM 17 N GLN A 3 8.819 -3.096 12.759 1.00 0.00 N ATOM 18 CA GLN A 3 9.966 -3.142 11.868 1.00 0.00 C ATOM 19 C GLN A 3 9.778 -4.235 10.815 1.00 0.00 C ATOM 20 O GLN A 3 10.129 -4.048 9.651 1.00 0.00 O ATOM 21 CB GLN A 3 11.262 -3.354 12.654 1.00 0.00 C ATOM 22 CG GLN A 3 12.350 -2.383 12.189 1.00 0.00 C ATOM 23 CD GLN A 3 12.859 -1.531 13.354 1.00 0.00 C ATOM 24 OE1 GLN A 3 12.510 -0.373 13.509 1.00 0.00 O ATOM 25 NE2 GLN A 3 13.701 -2.169 14.162 1.00 0.00 N ATOM 0 H GLN A 3 8.953 -3.571 13.651 1.00 0.00 H new ATOM 0 HA GLN A 3 10.042 -2.183 11.356 1.00 0.00 H new ATOM 0 HB2 GLN A 3 11.074 -3.212 13.718 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.606 -4.380 12.525 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.178 -2.941 11.753 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.955 -1.736 11.406 1.00 0.00 H new ATOM 0 HE21 GLN A 3 13.951 -3.140 13.974 1.00 0.00 H new ATOM 0 HE22 GLN A 3 14.096 -1.688 14.970 1.00 0.00 H new ATOM 26 N LYS A 4 9.224 -5.353 11.262 1.00 0.00 N ATOM 27 CA LYS A 4 8.986 -6.477 10.372 1.00 0.00 C ATOM 28 C LYS A 4 8.024 -6.047 9.263 1.00 0.00 C ATOM 29 O LYS A 4 8.201 -6.419 8.103 1.00 0.00 O ATOM 30 CB LYS A 4 8.507 -7.694 11.165 1.00 0.00 C ATOM 31 CG LYS A 4 6.985 -7.682 11.322 1.00 0.00 C ATOM 32 CD LYS A 4 6.501 -8.928 12.067 1.00 0.00 C ATOM 33 CE LYS A 4 6.571 -10.165 11.170 1.00 0.00 C ATOM 34 NZ LYS A 4 5.270 -10.396 10.502 1.00 0.00 N ATOM 0 H LYS A 4 8.933 -5.504 12.228 1.00 0.00 H new ATOM 0 HA LYS A 4 9.913 -6.785 9.889 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.817 -8.608 10.658 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.978 -7.700 12.148 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.679 -6.788 11.865 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.515 -7.636 10.340 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.112 -9.084 12.956 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.476 -8.778 12.406 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.353 -10.035 10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.841 -11.038 11.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.335 -11.239 9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.532 -10.541 11.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.028 -9.570 9.919 1.00 0.00 H new ATOM 35 N CYS A 5 7.025 -5.271 9.656 1.00 0.00 N ATOM 36 CA CYS A 5 6.034 -4.788 8.710 1.00 0.00 C ATOM 37 C CYS A 5 6.765 -4.054 7.583 1.00 0.00 C ATOM 38 O CYS A 5 6.677 -4.450 6.421 1.00 0.00 O ATOM 39 CB CYS A 5 4.991 -3.897 9.388 1.00 0.00 C ATOM 40 SG CYS A 5 3.517 -4.782 10.015 1.00 0.00 S ATOM 0 H CYS A 5 6.881 -4.964 10.618 1.00 0.00 H new ATOM 0 HA CYS A 5 5.481 -5.631 8.296 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.465 -3.375 10.219 1.00 0.00 H new ATOM 0 HB3 CYS A 5 4.666 -3.137 8.678 1.00 0.00 H new ATOM 41 N GLN A 6 7.468 -2.998 7.966 1.00 0.00 N ATOM 42 CA GLN A 6 8.213 -2.207 7.002 1.00 0.00 C ATOM 43 C GLN A 6 9.124 -3.108 6.166 1.00 0.00 C ATOM 44 O GLN A 6 9.215 -2.946 4.949 1.00 0.00 O ATOM 45 CB GLN A 6 9.018 -1.109 7.700 1.00 0.00 C ATOM 46 CG GLN A 6 8.702 -1.065 9.196 1.00 0.00 C ATOM 47 CD GLN A 6 9.451 0.081 9.880 1.00 0.00 C ATOM 48 OE1 GLN A 6 10.664 0.072 10.014 1.00 0.00 O ATOM 49 NE2 GLN A 6 8.663 1.064 10.305 1.00 0.00 N ATOM 0 H GLN A 6 7.537 -2.672 8.930 1.00 0.00 H new ATOM 0 HA GLN A 6 7.503 -1.722 6.333 1.00 0.00 H new ATOM 0 HB2 GLN A 6 10.084 -1.286 7.555 1.00 0.00 H new ATOM 0 HB3 GLN A 6 8.791 -0.143 7.248 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.629 -0.941 9.341 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.979 -2.013 9.658 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.655 1.008 10.160 1.00 0.00 H new ATOM 0 HE22 GLN A 6 9.067 1.874 10.776 1.00 0.00 H new ATOM 50 N ARG A 7 9.776 -4.036 6.851 1.00 0.00 N ATOM 51 CA ARG A 7 10.676 -4.963 6.186 1.00 0.00 C ATOM 52 C ARG A 7 9.899 -5.850 5.210 1.00 0.00 C ATOM 53 O ARG A 7 10.207 -5.886 4.019 1.00 0.00 O ATOM 54 CB ARG A 7 11.404 -5.846 7.201 1.00 0.00 C ATOM 55 CG ARG A 7 12.350 -6.823 6.498 1.00 0.00 C ATOM 56 CD ARG A 7 13.608 -7.065 7.334 1.00 0.00 C ATOM 57 NE ARG A 7 13.418 -8.246 8.205 1.00 0.00 N ATOM 58 CZ ARG A 7 14.419 -8.878 8.852 1.00 0.00 C ATOM 59 NH1 ARG A 7 15.693 -8.447 8.732 1.00 0.00 N ATOM 60 NH2 ARG A 7 14.136 -9.925 9.605 1.00 0.00 N ATOM 0 H ARG A 7 9.699 -4.166 7.860 1.00 0.00 H new ATOM 0 HA ARG A 7 11.413 -4.376 5.639 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.969 -5.221 7.893 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.677 -6.401 7.794 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.838 -7.769 6.323 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.629 -6.426 5.522 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.465 -7.220 6.679 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.826 -6.186 7.941 1.00 0.00 H new ATOM 0 HE ARG A 7 12.471 -8.605 8.324 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.905 -7.638 8.149 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.444 -8.931 9.225 1.00 0.00 H new ATOM 0 HH21 ARG A 7 13.171 -10.245 9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.882 -10.413 10.100 1.00 0.00 H new ATOM 61 N GLU A 8 8.909 -6.543 5.751 1.00 0.00 N ATOM 62 CA GLU A 8 8.087 -7.427 4.943 1.00 0.00 C ATOM 63 C GLU A 8 7.826 -6.804 3.571 1.00 0.00 C ATOM 64 O GLU A 8 7.890 -7.490 2.551 1.00 0.00 O ATOM 65 CB GLU A 8 6.773 -7.756 5.655 1.00 0.00 C ATOM 66 CG GLU A 8 7.029 -8.521 6.954 1.00 0.00 C ATOM 67 CD GLU A 8 6.475 -9.945 6.871 1.00 0.00 C ATOM 68 OE1 GLU A 8 5.448 -10.115 6.179 1.00 0.00 O ATOM 69 OE2 GLU A 8 7.089 -10.832 7.503 1.00 0.00 O ATOM 0 H GLU A 8 8.657 -6.510 6.739 1.00 0.00 H new ATOM 0 HA GLU A 8 8.628 -8.362 4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.233 -6.835 5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.138 -8.351 4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.100 -8.555 7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.565 -7.994 7.788 1.00 0.00 H new ATOM 70 N PHE A 9 7.537 -5.511 3.590 1.00 0.00 N ATOM 71 CA PHE A 9 7.266 -4.788 2.359 1.00 0.00 C ATOM 72 C PHE A 9 8.285 -5.147 1.275 1.00 0.00 C ATOM 73 O PHE A 9 7.933 -5.750 0.263 1.00 0.00 O ATOM 74 CB PHE A 9 7.388 -3.297 2.680 1.00 0.00 C ATOM 75 CG PHE A 9 6.977 -2.375 1.530 1.00 0.00 C ATOM 76 CD1 PHE A 9 6.529 -2.907 0.360 1.00 0.00 C ATOM 77 CD2 PHE A 9 7.058 -1.027 1.676 1.00 0.00 C ATOM 78 CE1 PHE A 9 6.148 -2.053 -0.708 1.00 0.00 C ATOM 79 CE2 PHE A 9 6.676 -0.171 0.608 1.00 0.00 C ATOM 80 CZ PHE A 9 6.230 -0.703 -0.561 1.00 0.00 C ATOM 0 H PHE A 9 7.485 -4.946 4.438 1.00 0.00 H new ATOM 0 HA PHE A 9 6.274 -5.046 1.988 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.771 -3.072 3.550 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.420 -3.079 2.956 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.463 -3.979 0.244 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.413 -0.605 2.605 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.793 -2.475 -1.637 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.740 0.901 0.725 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.941 -0.053 -1.374 1.00 0.00 H new ATOM 81 N GLN A 10 9.528 -4.763 1.525 1.00 0.00 N ATOM 82 CA GLN A 10 10.600 -5.037 0.583 1.00 0.00 C ATOM 83 C GLN A 10 11.018 -6.507 0.669 1.00 0.00 C ATOM 84 O GLN A 10 11.312 -7.132 -0.348 1.00 0.00 O ATOM 85 CB GLN A 10 11.795 -4.113 0.828 1.00 0.00 C ATOM 86 CG GLN A 10 12.415 -3.658 -0.495 1.00 0.00 C ATOM 87 CD GLN A 10 13.905 -3.355 -0.325 1.00 0.00 C ATOM 88 OE1 GLN A 10 14.478 -3.503 0.742 1.00 0.00 O ATOM 89 NE2 GLN A 10 14.498 -2.923 -1.435 1.00 0.00 N ATOM 0 H GLN A 10 9.817 -4.264 2.367 1.00 0.00 H new ATOM 0 HA GLN A 10 10.232 -4.841 -0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.475 -3.243 1.402 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.544 -4.632 1.426 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.281 -4.433 -1.249 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.898 -2.769 -0.857 1.00 0.00 H new ATOM 0 HE21 GLN A 10 13.959 -2.822 -2.295 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.492 -2.693 -1.426 1.00 0.00 H new ATOM 90 N GLN A 11 11.029 -7.016 1.893 1.00 0.00 N ATOM 91 CA GLN A 11 11.406 -8.400 2.123 1.00 0.00 C ATOM 92 C GLN A 11 10.882 -9.289 0.994 1.00 0.00 C ATOM 93 O GLN A 11 11.594 -10.166 0.508 1.00 0.00 O ATOM 94 CB GLN A 11 10.900 -8.886 3.483 1.00 0.00 C ATOM 95 CG GLN A 11 9.750 -9.881 3.316 1.00 0.00 C ATOM 96 CD GLN A 11 9.462 -10.611 4.630 1.00 0.00 C ATOM 97 OE1 GLN A 11 8.379 -10.536 5.186 1.00 0.00 O ATOM 98 NE2 GLN A 11 10.489 -11.319 5.092 1.00 0.00 N ATOM 0 H GLN A 11 10.783 -6.495 2.735 1.00 0.00 H new ATOM 0 HA GLN A 11 12.494 -8.463 2.132 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.716 -9.356 4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.566 -8.035 4.076 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.855 -9.355 2.984 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.000 -10.605 2.541 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.369 -11.338 4.576 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.397 -11.843 5.962 1.00 0.00 H new ATOM 99 N GLU A 12 9.641 -9.030 0.608 1.00 0.00 N ATOM 100 CA GLU A 12 9.013 -9.796 -0.456 1.00 0.00 C ATOM 101 C GLU A 12 9.403 -9.225 -1.821 1.00 0.00 C ATOM 102 O GLU A 12 10.422 -9.612 -2.392 1.00 0.00 O ATOM 103 CB GLU A 12 7.493 -9.823 -0.287 1.00 0.00 C ATOM 104 CG GLU A 12 7.030 -11.161 0.295 1.00 0.00 C ATOM 105 CD GLU A 12 6.538 -12.098 -0.811 1.00 0.00 C ATOM 106 OE1 GLU A 12 6.229 -11.575 -1.903 1.00 0.00 O ATOM 107 OE2 GLU A 12 6.482 -13.317 -0.539 1.00 0.00 O ATOM 0 H GLU A 12 9.054 -8.301 1.013 1.00 0.00 H new ATOM 0 HA GLU A 12 9.370 -10.824 -0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.182 -9.010 0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.013 -9.656 -1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.852 -11.631 0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.230 -10.991 1.016 1.00 0.00 H new ATOM 108 N GLN A 13 8.571 -8.314 -2.305 1.00 0.00 N ATOM 109 CA GLN A 13 8.816 -7.688 -3.593 1.00 0.00 C ATOM 110 C GLN A 13 7.677 -6.727 -3.941 1.00 0.00 C ATOM 111 O GLN A 13 6.901 -6.985 -4.860 1.00 0.00 O ATOM 112 CB GLN A 13 8.999 -8.739 -4.689 1.00 0.00 C ATOM 113 CG GLN A 13 10.481 -8.937 -5.017 1.00 0.00 C ATOM 114 CD GLN A 13 10.804 -10.417 -5.227 1.00 0.00 C ATOM 115 OE1 GLN A 13 10.174 -11.112 -6.007 1.00 0.00 O ATOM 116 NE2 GLN A 13 11.819 -10.859 -4.490 1.00 0.00 N ATOM 0 H GLN A 13 7.727 -7.995 -1.829 1.00 0.00 H new ATOM 0 HA GLN A 13 9.742 -7.116 -3.526 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.565 -9.685 -4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.462 -8.431 -5.586 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.736 -8.375 -5.915 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.092 -8.539 -4.207 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.304 -10.224 -3.856 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.113 -11.833 -4.558 1.00 0.00 H new ATOM 117 N HIS A 14 7.613 -5.639 -3.188 1.00 0.00 N ATOM 118 CA HIS A 14 6.582 -4.639 -3.404 1.00 0.00 C ATOM 119 C HIS A 14 5.667 -5.083 -4.546 1.00 0.00 C ATOM 120 O HIS A 14 6.064 -5.061 -5.710 1.00 0.00 O ATOM 121 CB HIS A 14 7.204 -3.261 -3.646 1.00 0.00 C ATOM 122 CG HIS A 14 8.003 -2.735 -2.478 1.00 0.00 C ATOM 123 ND1 HIS A 14 8.511 -3.374 -1.385 1.00 0.00 N flip ATOM 124 CD2 HIS A 14 8.359 -1.403 -2.352 1.00 0.00 C flip ATOM 125 CE1 HIS A 14 9.144 -2.481 -0.633 1.00 0.00 C flip ATOM 126 NE2 HIS A 14 9.051 -1.259 -1.232 1.00 0.00 N flip ATOM 0 H HIS A 14 8.259 -5.428 -2.427 1.00 0.00 H new ATOM 0 HA HIS A 14 5.968 -4.546 -2.508 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.851 -3.314 -4.521 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.410 -2.551 -3.879 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.114 -0.615 -3.049 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.649 -2.688 0.299 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.445 -0.387 -0.879 1.00 0.00 H new ATOM 127 N LEU A 15 4.458 -5.478 -4.173 1.00 0.00 N ATOM 128 CA LEU A 15 3.482 -5.929 -5.151 1.00 0.00 C ATOM 129 C LEU A 15 3.570 -5.045 -6.397 1.00 0.00 C ATOM 130 O LEU A 15 4.264 -4.029 -6.393 1.00 0.00 O ATOM 131 CB LEU A 15 2.085 -5.981 -4.529 1.00 0.00 C ATOM 132 CG LEU A 15 1.872 -5.118 -3.285 1.00 0.00 C ATOM 133 CD1 LEU A 15 2.379 -5.832 -2.030 1.00 0.00 C ATOM 134 CD2 LEU A 15 2.513 -3.739 -3.457 1.00 0.00 C ATOM 0 H LEU A 15 4.132 -5.495 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 15 3.702 -6.949 -5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.361 -5.678 -5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.862 -7.016 -4.271 1.00 0.00 H new ATOM 0 HG LEU A 15 0.801 -4.962 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.216 -5.197 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.839 -6.770 -1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.444 -6.038 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.347 -3.146 -2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.584 -3.854 -3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.065 -3.234 -4.313 1.00 0.00 H new ATOM 135 N ARG A 16 2.855 -5.462 -7.431 1.00 0.00 N ATOM 136 CA ARG A 16 2.843 -4.720 -8.681 1.00 0.00 C ATOM 137 C ARG A 16 1.453 -4.133 -8.935 1.00 0.00 C ATOM 138 O ARG A 16 1.314 -2.931 -9.157 1.00 0.00 O ATOM 139 CB ARG A 16 3.234 -5.616 -9.856 1.00 0.00 C ATOM 140 CG ARG A 16 4.724 -5.962 -9.811 1.00 0.00 C ATOM 141 CD ARG A 16 4.959 -7.425 -10.192 1.00 0.00 C ATOM 142 NE ARG A 16 4.912 -7.579 -11.662 1.00 0.00 N ATOM 143 CZ ARG A 16 5.961 -7.380 -12.473 1.00 0.00 C ATOM 144 NH1 ARG A 16 7.144 -7.016 -11.960 1.00 0.00 N ATOM 145 NH2 ARG A 16 5.825 -7.543 -13.796 1.00 0.00 N ATOM 0 H ARG A 16 2.280 -6.304 -7.429 1.00 0.00 H new ATOM 0 HA ARG A 16 3.572 -3.914 -8.596 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.644 -6.532 -9.831 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.002 -5.112 -10.795 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.273 -5.312 -10.493 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.114 -5.776 -8.810 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.926 -7.757 -9.814 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.202 -8.056 -9.728 1.00 0.00 H new ATOM 0 HE ARG A 16 4.026 -7.854 -12.086 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.246 -6.890 -10.953 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.942 -6.865 -12.577 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.924 -7.818 -14.186 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.623 -7.392 -14.413 1.00 0.00 H new ATOM 146 N ALA A 17 0.460 -5.008 -8.896 1.00 0.00 N ATOM 147 CA ALA A 17 -0.915 -4.592 -9.120 1.00 0.00 C ATOM 148 C ALA A 17 -1.159 -3.256 -8.417 1.00 0.00 C ATOM 149 O ALA A 17 -1.705 -2.328 -9.011 1.00 0.00 O ATOM 150 CB ALA A 17 -1.866 -5.689 -8.637 1.00 0.00 C ATOM 0 H ALA A 17 0.579 -6.004 -8.713 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.103 -4.444 -10.183 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.897 -5.377 -8.805 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.671 -6.609 -9.189 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.709 -5.864 -7.573 1.00 0.00 H new ATOM 151 N CYS A 18 -0.743 -3.200 -7.159 1.00 0.00 N ATOM 152 CA CYS A 18 -0.910 -1.993 -6.368 1.00 0.00 C ATOM 153 C CYS A 18 0.233 -1.035 -6.707 1.00 0.00 C ATOM 154 O CYS A 18 0.025 0.172 -6.817 1.00 0.00 O ATOM 155 CB CYS A 18 -0.972 -2.302 -4.871 1.00 0.00 C ATOM 156 SG CYS A 18 -2.338 -3.411 -4.372 1.00 0.00 S ATOM 0 H CYS A 18 -0.291 -3.972 -6.669 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.862 -1.522 -6.614 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.027 -2.754 -4.568 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.066 -1.364 -4.324 1.00 0.00 H new ATOM 157 N GLN A 19 1.418 -1.609 -6.863 1.00 0.00 N ATOM 158 CA GLN A 19 2.595 -0.821 -7.187 1.00 0.00 C ATOM 159 C GLN A 19 2.286 0.150 -8.328 1.00 0.00 C ATOM 160 O GLN A 19 2.812 1.262 -8.362 1.00 0.00 O ATOM 161 CB GLN A 19 3.779 -1.723 -7.539 1.00 0.00 C ATOM 162 CG GLN A 19 4.088 -1.661 -9.037 1.00 0.00 C ATOM 163 CD GLN A 19 5.485 -2.212 -9.331 1.00 0.00 C ATOM 164 OE1 GLN A 19 5.876 -3.168 -8.494 1.00 0.00 O flip ATOM 165 NE2 GLN A 19 6.163 -1.796 -10.256 1.00 0.00 N flip ATOM 0 H GLN A 19 1.588 -2.611 -6.771 1.00 0.00 H new ATOM 0 HA GLN A 19 2.873 -0.240 -6.308 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.657 -1.416 -6.970 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.556 -2.751 -7.252 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.343 -2.234 -9.590 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.019 -0.630 -9.384 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.802 -1.059 -10.862 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.091 -2.185 -10.424 1.00 0.00 H new ATOM 166 N GLN A 20 1.435 -0.306 -9.236 1.00 0.00 N ATOM 167 CA GLN A 20 1.050 0.509 -10.376 1.00 0.00 C ATOM 168 C GLN A 20 0.961 1.981 -9.972 1.00 0.00 C ATOM 169 O GLN A 20 1.833 2.777 -10.318 1.00 0.00 O ATOM 170 CB GLN A 20 -0.273 0.024 -10.974 1.00 0.00 C ATOM 171 CG GLN A 20 -0.231 0.065 -12.503 1.00 0.00 C ATOM 172 CD GLN A 20 -0.244 -1.347 -13.090 1.00 0.00 C ATOM 173 OE1 GLN A 20 -0.166 -2.341 -12.386 1.00 0.00 O ATOM 174 NE2 GLN A 20 -0.348 -1.382 -14.416 1.00 0.00 N ATOM 0 H GLN A 20 1.002 -1.229 -9.205 1.00 0.00 H new ATOM 0 HA GLN A 20 1.817 0.410 -11.144 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.476 -0.993 -10.639 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.090 0.648 -10.612 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.086 0.627 -12.879 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.665 0.591 -12.832 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.409 -0.513 -14.946 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.366 -2.278 -14.903 1.00 0.00 H new ATOM 175 N TRP A 21 -0.099 2.300 -9.244 1.00 0.00 N ATOM 176 CA TRP A 21 -0.312 3.662 -8.788 1.00 0.00 C ATOM 177 C TRP A 21 0.892 4.071 -7.936 1.00 0.00 C ATOM 178 O TRP A 21 1.633 4.984 -8.299 1.00 0.00 O ATOM 179 CB TRP A 21 -1.642 3.790 -8.042 1.00 0.00 C ATOM 180 CG TRP A 21 -1.537 4.519 -6.701 1.00 0.00 C ATOM 181 CD1 TRP A 21 -1.699 5.827 -6.459 1.00 0.00 C ATOM 182 CD2 TRP A 21 -1.237 3.924 -5.420 1.00 0.00 C ATOM 183 NE1 TRP A 21 -1.526 6.118 -5.121 1.00 0.00 N ATOM 184 CE2 TRP A 21 -1.237 4.924 -4.470 1.00 0.00 C ATOM 185 CE3 TRP A 21 -0.975 2.586 -5.078 1.00 0.00 C ATOM 186 CZ2 TRP A 21 -0.980 4.692 -3.113 1.00 0.00 C ATOM 187 CZ3 TRP A 21 -0.722 2.371 -3.718 1.00 0.00 C ATOM 188 CH2 TRP A 21 -0.717 3.366 -2.747 1.00 0.00 C ATOM 0 H TRP A 21 -0.820 1.637 -8.959 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.387 4.344 -9.635 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -2.353 4.319 -8.677 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -2.048 2.793 -7.871 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.935 6.561 -7.215 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -1.597 7.039 -4.689 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.969 1.788 -5.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.984 5.492 -2.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -0.516 1.360 -3.400 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -0.511 3.118 -1.716 1.00 0.00 H new ATOM 189 N ILE A 22 1.051 3.373 -6.821 1.00 0.00 N ATOM 190 CA ILE A 22 2.152 3.652 -5.915 1.00 0.00 C ATOM 191 C ILE A 22 3.358 4.141 -6.720 1.00 0.00 C ATOM 192 O ILE A 22 3.973 5.147 -6.372 1.00 0.00 O ATOM 193 CB ILE A 22 2.450 2.430 -5.043 1.00 0.00 C ATOM 194 CG1 ILE A 22 2.512 2.815 -3.563 1.00 0.00 C ATOM 195 CG2 ILE A 22 3.725 1.723 -5.505 1.00 0.00 C ATOM 196 CD1 ILE A 22 3.192 4.172 -3.378 1.00 0.00 C ATOM 0 H ILE A 22 0.436 2.615 -6.525 1.00 0.00 H new ATOM 0 HA ILE A 22 1.884 4.451 -5.224 1.00 0.00 H new ATOM 0 HB ILE A 22 1.630 1.721 -5.158 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.504 2.850 -3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.058 2.052 -3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.913 0.859 -4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.605 1.394 -6.537 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.567 2.412 -5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.223 4.422 -2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.208 4.126 -3.770 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.630 4.937 -3.915 1.00 0.00 H new ATOM 197 N ARG A 23 3.658 3.406 -7.781 1.00 0.00 N ATOM 198 CA ARG A 23 4.779 3.753 -8.638 1.00 0.00 C ATOM 199 C ARG A 23 4.337 4.747 -9.713 1.00 0.00 C ATOM 200 O ARG A 23 4.713 5.918 -9.673 1.00 0.00 O ATOM 201 CB ARG A 23 5.362 2.509 -9.312 1.00 0.00 C ATOM 202 CG ARG A 23 6.259 2.894 -10.491 1.00 0.00 C ATOM 203 CD ARG A 23 5.692 2.360 -11.808 1.00 0.00 C ATOM 204 NE ARG A 23 5.786 3.400 -12.857 1.00 0.00 N ATOM 205 CZ ARG A 23 5.754 3.144 -14.172 1.00 0.00 C ATOM 206 NH1 ARG A 23 5.632 1.883 -14.607 1.00 0.00 N ATOM 207 NH2 ARG A 23 5.845 4.150 -15.052 1.00 0.00 N ATOM 0 H ARG A 23 3.145 2.572 -8.066 1.00 0.00 H new ATOM 0 HA ARG A 23 5.547 4.207 -8.012 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.936 1.933 -8.586 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.553 1.867 -9.660 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.351 3.979 -10.544 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.262 2.496 -10.335 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.241 1.470 -12.116 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.652 2.062 -11.672 1.00 0.00 H new ATOM 0 HE ARG A 23 5.881 4.371 -12.561 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.563 1.117 -13.937 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.608 1.689 -15.608 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.939 5.110 -14.721 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.821 3.956 -16.053 1.00 0.00 H new ATOM 208 N GLN A 24 3.545 4.245 -10.649 1.00 0.00 N ATOM 209 CA GLN A 24 3.048 5.075 -11.734 1.00 0.00 C ATOM 210 C GLN A 24 2.739 6.484 -11.224 1.00 0.00 C ATOM 211 O GLN A 24 2.919 7.463 -11.948 1.00 0.00 O ATOM 212 CB GLN A 24 1.817 4.445 -12.386 1.00 0.00 C ATOM 213 CG GLN A 24 1.649 4.933 -13.826 1.00 0.00 C ATOM 214 CD GLN A 24 1.606 3.755 -14.802 1.00 0.00 C ATOM 215 OE1 GLN A 24 2.432 2.858 -14.769 1.00 0.00 O ATOM 216 NE2 GLN A 24 0.599 3.808 -15.671 1.00 0.00 N ATOM 0 H GLN A 24 3.235 3.274 -10.679 1.00 0.00 H new ATOM 0 HA GLN A 24 3.824 5.147 -12.496 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.911 3.359 -12.375 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.927 4.694 -11.808 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.731 5.515 -13.912 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.473 5.597 -14.087 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.058 4.588 -15.644 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.484 3.068 -16.364 1.00 0.00 H new ATOM 217 N GLN A 25 2.279 6.542 -9.983 1.00 0.00 N ATOM 218 CA GLN A 25 1.942 7.816 -9.369 1.00 0.00 C ATOM 219 C GLN A 25 2.882 8.913 -9.873 1.00 0.00 C ATOM 220 O GLN A 25 2.449 10.034 -10.135 1.00 0.00 O ATOM 221 CB GLN A 25 1.984 7.716 -7.843 1.00 0.00 C ATOM 222 CG GLN A 25 0.580 7.836 -7.247 1.00 0.00 C ATOM 223 CD GLN A 25 0.007 9.236 -7.471 1.00 0.00 C ATOM 224 OE1 GLN A 25 0.714 10.231 -7.478 1.00 0.00 O ATOM 225 NE2 GLN A 25 -1.310 9.259 -7.652 1.00 0.00 N ATOM 0 H GLN A 25 2.132 5.728 -9.386 1.00 0.00 H new ATOM 0 HA GLN A 25 0.923 8.078 -9.656 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.428 6.765 -7.549 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.622 8.503 -7.441 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.076 7.094 -7.701 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.615 7.620 -6.179 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.842 8.389 -7.634 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.788 10.146 -7.809 1.00 0.00 H new ATOM 226 N LEU A 26 4.151 8.551 -9.992 1.00 0.00 N ATOM 227 CA LEU A 26 5.156 9.491 -10.461 1.00 0.00 C ATOM 228 C LEU A 26 4.966 9.729 -11.960 1.00 0.00 C ATOM 229 O LEU A 26 4.727 10.856 -12.389 1.00 0.00 O ATOM 230 CB LEU A 26 6.558 9.007 -10.087 1.00 0.00 C ATOM 231 CG LEU A 26 6.705 8.392 -8.693 1.00 0.00 C ATOM 232 CD1 LEU A 26 8.094 8.673 -8.115 1.00 0.00 C ATOM 233 CD2 LEU A 26 5.589 8.870 -7.761 1.00 0.00 C ATOM 0 H LEU A 26 4.506 7.621 -9.772 1.00 0.00 H new ATOM 0 HA LEU A 26 5.035 10.456 -9.968 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.875 8.269 -10.824 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.245 9.850 -10.165 1.00 0.00 H new ATOM 0 HG LEU A 26 6.606 7.310 -8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.173 8.226 -7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.854 8.244 -8.769 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.246 9.750 -8.040 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.718 8.418 -6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.631 9.955 -7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.622 8.578 -8.171 1.00 0.00 H new ATOM 234 N ALA A 27 5.082 8.647 -12.717 1.00 0.00 N ATOM 235 CA ALA A 27 4.927 8.723 -14.159 1.00 0.00 C ATOM 236 C ALA A 27 3.473 9.058 -14.495 1.00 0.00 C ATOM 237 O ALA A 27 2.768 9.661 -13.687 1.00 0.00 O ATOM 238 CB ALA A 27 5.384 7.407 -14.792 1.00 0.00 C ATOM 0 H ALA A 27 5.282 7.713 -12.358 1.00 0.00 H new ATOM 0 HA ALA A 27 5.551 9.516 -14.570 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.268 7.464 -15.874 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.432 7.231 -14.548 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.779 6.587 -14.405 1.00 0.00 H new ATOM 323 N TRP B 9 -9.836 -11.317 -11.776 1.00 0.00 N ATOM 324 CA TRP B 9 -9.947 -10.818 -10.416 1.00 0.00 C ATOM 325 C TRP B 9 -8.545 -10.436 -9.936 1.00 0.00 C ATOM 326 O TRP B 9 -8.152 -10.776 -8.822 1.00 0.00 O ATOM 327 CB TRP B 9 -10.630 -11.843 -9.509 1.00 0.00 C ATOM 328 CG TRP B 9 -12.127 -12.014 -9.780 1.00 0.00 C ATOM 329 CD1 TRP B 9 -12.994 -11.095 -10.223 1.00 0.00 C ATOM 330 CD2 TRP B 9 -12.900 -13.220 -9.606 1.00 0.00 C ATOM 331 NE1 TRP B 9 -14.266 -11.617 -10.347 1.00 0.00 N ATOM 332 CE2 TRP B 9 -14.206 -12.951 -9.959 1.00 0.00 C ATOM 333 CE3 TRP B 9 -12.508 -14.496 -9.163 1.00 0.00 C ATOM 334 CZ2 TRP B 9 -15.226 -13.908 -9.908 1.00 0.00 C ATOM 335 CZ3 TRP B 9 -13.539 -15.441 -9.117 1.00 0.00 C ATOM 336 CH2 TRP B 9 -14.860 -15.186 -9.470 1.00 0.00 C ATOM 0 HA TRP B 9 -10.581 -9.932 -10.382 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -10.137 -12.807 -9.631 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -10.491 -11.543 -8.470 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -12.731 -10.073 -10.454 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -15.096 -11.117 -10.664 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -11.492 -14.728 -8.881 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -16.241 -13.673 -10.191 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -13.292 -16.438 -8.784 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -15.600 -15.970 -9.406 1.00 0.00 H new ATOM 337 N LEU B 10 -7.829 -9.734 -10.802 1.00 0.00 N ATOM 338 CA LEU B 10 -6.479 -9.302 -10.481 1.00 0.00 C ATOM 339 C LEU B 10 -6.539 -8.194 -9.428 1.00 0.00 C ATOM 340 O LEU B 10 -5.721 -8.160 -8.511 1.00 0.00 O ATOM 341 CB LEU B 10 -5.727 -8.902 -11.753 1.00 0.00 C ATOM 342 CG LEU B 10 -5.603 -9.984 -12.827 1.00 0.00 C ATOM 343 CD1 LEU B 10 -6.642 -9.783 -13.932 1.00 0.00 C ATOM 344 CD2 LEU B 10 -4.180 -10.045 -13.383 1.00 0.00 C ATOM 0 H LEU B 10 -8.158 -9.454 -11.726 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.910 -10.124 -10.047 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.228 -8.039 -12.191 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.724 -8.580 -11.472 1.00 0.00 H new ATOM 0 HG LEU B 10 -5.809 -10.949 -12.364 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -6.531 -10.566 -14.682 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.643 -9.830 -13.503 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -6.493 -8.809 -14.399 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -4.120 -10.823 -14.145 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.921 -9.083 -13.825 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -3.484 -10.273 -12.576 1.00 0.00 H new ATOM 345 N ARG B 11 -7.516 -7.315 -9.596 1.00 0.00 N ATOM 346 CA ARG B 11 -7.694 -6.208 -8.671 1.00 0.00 C ATOM 347 C ARG B 11 -7.996 -6.734 -7.266 1.00 0.00 C ATOM 348 O ARG B 11 -7.204 -6.543 -6.345 1.00 0.00 O ATOM 349 CB ARG B 11 -8.835 -5.293 -9.121 1.00 0.00 C ATOM 350 CG ARG B 11 -8.829 -5.117 -10.641 1.00 0.00 C ATOM 351 CD ARG B 11 -9.868 -6.026 -11.303 1.00 0.00 C ATOM 352 NE ARG B 11 -10.954 -5.210 -11.888 1.00 0.00 N ATOM 353 CZ ARG B 11 -11.837 -5.668 -12.800 1.00 0.00 C ATOM 354 NH1 ARG B 11 -11.768 -6.943 -13.241 1.00 0.00 N ATOM 355 NH2 ARG B 11 -12.769 -4.851 -13.256 1.00 0.00 N ATOM 0 H ARG B 11 -8.193 -7.347 -10.359 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.767 -5.635 -8.657 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -9.790 -5.713 -8.804 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -8.738 -4.321 -8.638 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -9.039 -4.077 -10.891 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.838 -5.346 -11.033 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -9.395 -6.627 -12.079 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -10.278 -6.719 -10.568 1.00 0.00 H new ATOM 0 HE ARG B 11 -11.041 -4.241 -11.583 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -11.045 -7.567 -12.885 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -12.439 -7.281 -13.930 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -12.814 -3.889 -12.919 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -13.444 -5.182 -13.946 1.00 0.00 H new ATOM 356 N GLU B 12 -9.144 -7.385 -7.147 1.00 0.00 N ATOM 357 CA GLU B 12 -9.561 -7.939 -5.869 1.00 0.00 C ATOM 358 C GLU B 12 -8.392 -8.666 -5.201 1.00 0.00 C ATOM 359 O GLU B 12 -8.203 -8.563 -3.990 1.00 0.00 O ATOM 360 CB GLU B 12 -10.761 -8.871 -6.041 1.00 0.00 C ATOM 361 CG GLU B 12 -12.067 -8.077 -6.117 1.00 0.00 C ATOM 362 CD GLU B 12 -12.800 -8.350 -7.431 1.00 0.00 C ATOM 363 OE1 GLU B 12 -12.236 -7.980 -8.483 1.00 0.00 O ATOM 364 OE2 GLU B 12 -13.908 -8.924 -7.354 1.00 0.00 O ATOM 0 H GLU B 12 -9.798 -7.541 -7.914 1.00 0.00 H new ATOM 0 HA GLU B 12 -9.871 -7.119 -5.222 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -10.638 -9.464 -6.948 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -10.805 -9.571 -5.206 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -12.708 -8.344 -5.277 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -11.854 -7.012 -6.030 1.00 0.00 H new ATOM 365 N GLN B 13 -7.639 -9.386 -6.019 1.00 0.00 N ATOM 366 CA GLN B 13 -6.495 -10.131 -5.522 1.00 0.00 C ATOM 367 C GLN B 13 -5.602 -9.226 -4.670 1.00 0.00 C ATOM 368 O GLN B 13 -5.158 -9.622 -3.593 1.00 0.00 O ATOM 369 CB GLN B 13 -5.704 -10.755 -6.673 1.00 0.00 C ATOM 370 CG GLN B 13 -4.696 -11.782 -6.154 1.00 0.00 C ATOM 371 CD GLN B 13 -3.261 -11.279 -6.330 1.00 0.00 C ATOM 372 OE1 GLN B 13 -2.982 -10.093 -6.294 1.00 0.00 O ATOM 373 NE2 GLN B 13 -2.369 -12.248 -6.522 1.00 0.00 N ATOM 0 H GLN B 13 -7.799 -9.469 -7.023 1.00 0.00 H new ATOM 0 HA GLN B 13 -6.861 -10.944 -4.894 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -6.389 -11.234 -7.372 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -5.181 -9.974 -7.225 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -4.888 -11.985 -5.100 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -4.823 -12.724 -6.688 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -2.670 -13.222 -6.541 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -1.384 -12.016 -6.650 1.00 0.00 H new ATOM 374 N CYS B 14 -5.365 -8.029 -5.185 1.00 0.00 N ATOM 375 CA CYS B 14 -4.532 -7.064 -4.486 1.00 0.00 C ATOM 376 C CYS B 14 -5.055 -6.929 -3.054 1.00 0.00 C ATOM 377 O CYS B 14 -4.367 -7.294 -2.101 1.00 0.00 O ATOM 378 CB CYS B 14 -4.497 -5.717 -5.210 1.00 0.00 C ATOM 379 SG CYS B 14 -2.829 -4.988 -5.393 1.00 0.00 S ATOM 0 H CYS B 14 -5.735 -7.705 -6.078 1.00 0.00 H new ATOM 0 HA CYS B 14 -3.501 -7.417 -4.465 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -4.935 -5.841 -6.201 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -5.129 -5.013 -4.669 1.00 0.00 H new ATOM 380 N CYS B 15 -6.266 -6.402 -2.947 1.00 0.00 N ATOM 381 CA CYS B 15 -6.888 -6.215 -1.647 1.00 0.00 C ATOM 382 C CYS B 15 -6.881 -7.556 -0.913 1.00 0.00 C ATOM 383 O CYS B 15 -6.434 -7.641 0.230 1.00 0.00 O ATOM 384 CB CYS B 15 -8.301 -5.640 -1.774 1.00 0.00 C ATOM 385 SG CYS B 15 -8.918 -5.493 -3.491 1.00 0.00 S ATOM 0 H CYS B 15 -6.833 -6.099 -3.739 1.00 0.00 H new ATOM 0 HA CYS B 15 -6.320 -5.485 -1.071 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -8.987 -6.271 -1.209 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -8.320 -4.654 -1.310 1.00 0.00 H new ATOM 386 N ASN B 16 -7.383 -8.573 -1.599 1.00 0.00 N ATOM 387 CA ASN B 16 -7.440 -9.907 -1.026 1.00 0.00 C ATOM 388 C ASN B 16 -6.153 -10.177 -0.244 1.00 0.00 C ATOM 389 O ASN B 16 -6.182 -10.822 0.803 1.00 0.00 O ATOM 390 CB ASN B 16 -7.563 -10.971 -2.118 1.00 0.00 C ATOM 391 CG ASN B 16 -9.030 -11.248 -2.452 1.00 0.00 C ATOM 392 OD1 ASN B 16 -9.810 -10.173 -2.391 1.00 0.00 O flip ATOM 393 ND2 ASN B 16 -9.427 -12.364 -2.745 1.00 0.00 N flip ATOM 0 H ASN B 16 -7.754 -8.500 -2.546 1.00 0.00 H new ATOM 0 HA ASN B 16 -8.313 -9.957 -0.375 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -7.039 -10.639 -3.014 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -7.081 -11.892 -1.789 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -8.774 -13.147 -2.773 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -10.412 -12.514 -2.962 1.00 0.00 H new ATOM 394 N GLU B 17 -5.053 -9.671 -0.783 1.00 0.00 N ATOM 395 CA GLU B 17 -3.758 -9.851 -0.150 1.00 0.00 C ATOM 396 C GLU B 17 -3.661 -8.988 1.111 1.00 0.00 C ATOM 397 O GLU B 17 -3.099 -9.416 2.117 1.00 0.00 O ATOM 398 CB GLU B 17 -2.622 -9.529 -1.124 1.00 0.00 C ATOM 399 CG GLU B 17 -1.760 -8.379 -0.600 1.00 0.00 C ATOM 400 CD GLU B 17 -0.985 -8.799 0.650 1.00 0.00 C ATOM 401 OE1 GLU B 17 -0.467 -9.937 0.640 1.00 0.00 O ATOM 402 OE2 GLU B 17 -0.928 -7.974 1.587 1.00 0.00 O ATOM 0 H GLU B 17 -5.032 -9.136 -1.651 1.00 0.00 H new ATOM 0 HA GLU B 17 -3.658 -10.897 0.140 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -2.003 -10.414 -1.272 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -3.036 -9.264 -2.097 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -1.062 -8.061 -1.375 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -2.393 -7.522 -0.369 1.00 0.00 H new ATOM 403 N LEU B 18 -4.215 -7.788 1.013 1.00 0.00 N ATOM 404 CA LEU B 18 -4.197 -6.863 2.132 1.00 0.00 C ATOM 405 C LEU B 18 -5.060 -7.422 3.265 1.00 0.00 C ATOM 406 O LEU B 18 -4.623 -7.480 4.413 1.00 0.00 O ATOM 407 CB LEU B 18 -4.614 -5.463 1.676 1.00 0.00 C ATOM 408 CG LEU B 18 -5.966 -4.965 2.190 1.00 0.00 C ATOM 409 CD1 LEU B 18 -5.957 -4.826 3.713 1.00 0.00 C ATOM 410 CD2 LEU B 18 -6.369 -3.661 1.498 1.00 0.00 C ATOM 0 H LEU B 18 -4.679 -7.436 0.176 1.00 0.00 H new ATOM 0 HA LEU B 18 -3.185 -6.759 2.523 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -3.846 -4.756 1.990 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -4.634 -5.448 0.586 1.00 0.00 H new ATOM 0 HG LEU B 18 -6.721 -5.710 1.940 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -6.930 -4.470 4.052 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -5.747 -5.795 4.166 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -5.187 -4.113 4.009 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -7.334 -3.329 1.881 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -5.617 -2.897 1.695 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -6.444 -3.827 0.423 1.00 0.00 H new ATOM 411 N TYR B 19 -6.271 -7.820 2.903 1.00 0.00 N ATOM 412 CA TYR B 19 -7.199 -8.374 3.875 1.00 0.00 C ATOM 413 C TYR B 19 -6.572 -9.552 4.622 1.00 0.00 C ATOM 414 O TYR B 19 -6.799 -9.724 5.820 1.00 0.00 O ATOM 415 CB TYR B 19 -8.401 -8.876 3.072 1.00 0.00 C ATOM 416 CG TYR B 19 -9.631 -7.969 3.160 1.00 0.00 C ATOM 417 CD1 TYR B 19 -9.641 -6.754 2.506 1.00 0.00 C ATOM 418 CD2 TYR B 19 -10.729 -8.366 3.895 1.00 0.00 C ATOM 419 CE1 TYR B 19 -10.798 -5.902 2.589 1.00 0.00 C ATOM 420 CE2 TYR B 19 -11.887 -7.514 3.979 1.00 0.00 C ATOM 421 CZ TYR B 19 -11.864 -6.324 3.322 1.00 0.00 C ATOM 422 OH TYR B 19 -12.957 -5.519 3.400 1.00 0.00 O ATOM 0 H TYR B 19 -6.631 -7.770 1.950 1.00 0.00 H new ATOM 0 HA TYR B 19 -7.475 -7.622 4.614 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -8.110 -8.976 2.026 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -8.670 -9.872 3.425 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -8.781 -6.442 1.932 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -10.720 -9.316 4.408 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -10.820 -4.949 2.081 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -12.753 -7.813 4.550 1.00 0.00 H new ATOM 0 HH TYR B 19 -13.641 -5.949 3.955 1.00 0.00 H new ATOM 423 N GLN B 20 -5.797 -10.334 3.885 1.00 0.00 N ATOM 424 CA GLN B 20 -5.135 -11.491 4.464 1.00 0.00 C ATOM 425 C GLN B 20 -4.313 -11.077 5.686 1.00 0.00 C ATOM 426 O GLN B 20 -4.256 -11.806 6.676 1.00 0.00 O ATOM 427 CB GLN B 20 -4.260 -12.197 3.427 1.00 0.00 C ATOM 428 CG GLN B 20 -5.042 -13.298 2.708 1.00 0.00 C ATOM 429 CD GLN B 20 -4.242 -14.603 2.669 1.00 0.00 C ATOM 430 OE1 GLN B 20 -3.268 -14.785 3.380 1.00 0.00 O ATOM 431 NE2 GLN B 20 -4.707 -15.496 1.800 1.00 0.00 N ATOM 0 H GLN B 20 -5.613 -10.189 2.892 1.00 0.00 H new ATOM 0 HA GLN B 20 -5.899 -12.198 4.788 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -3.894 -11.472 2.700 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -3.386 -12.627 3.916 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -5.992 -13.465 3.215 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -5.275 -12.979 1.692 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -5.528 -15.278 1.235 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -4.243 -16.398 1.698 1.00 0.00 H new ATOM 432 N GLU B 21 -3.698 -9.909 5.577 1.00 0.00 N ATOM 433 CA GLU B 21 -2.881 -9.390 6.660 1.00 0.00 C ATOM 434 C GLU B 21 -3.662 -8.346 7.461 1.00 0.00 C ATOM 435 O GLU B 21 -4.886 -8.427 7.565 1.00 0.00 O ATOM 436 CB GLU B 21 -1.571 -8.805 6.128 1.00 0.00 C ATOM 437 CG GLU B 21 -0.428 -9.024 7.122 1.00 0.00 C ATOM 438 CD GLU B 21 0.670 -7.977 6.934 1.00 0.00 C ATOM 439 OE1 GLU B 21 1.055 -7.803 5.714 1.00 0.00 O ATOM 440 OE2 GLU B 21 1.124 -7.369 7.915 1.00 0.00 O ATOM 0 H GLU B 21 -3.749 -9.307 4.755 1.00 0.00 H new ATOM 0 HA GLU B 21 -2.628 -10.216 7.325 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -1.322 -9.270 5.174 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -1.695 -7.738 5.940 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -0.813 -8.974 8.141 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -0.011 -10.022 6.988 1.00 0.00 H new ATOM 441 N ASP B 22 -2.924 -7.390 8.005 1.00 0.00 N ATOM 442 CA ASP B 22 -3.533 -6.330 8.793 1.00 0.00 C ATOM 443 C ASP B 22 -3.235 -4.980 8.140 1.00 0.00 C ATOM 444 O ASP B 22 -2.078 -4.568 8.058 1.00 0.00 O ATOM 445 CB ASP B 22 -2.966 -6.306 10.213 1.00 0.00 C ATOM 446 CG ASP B 22 -2.137 -7.532 10.600 1.00 0.00 C ATOM 447 OD1 ASP B 22 -2.662 -8.650 10.708 1.00 0.00 O ATOM 448 OD2 ASP B 22 -0.883 -7.301 10.798 1.00 0.00 O ATOM 0 H ASP B 22 -1.910 -7.326 7.916 1.00 0.00 H new ATOM 0 HA ASP B 22 -4.606 -6.515 8.837 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -2.346 -5.417 10.325 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -3.793 -6.209 10.916 1.00 0.00 H new ATOM 449 N GLN B 23 -4.297 -4.327 7.693 1.00 0.00 N ATOM 450 CA GLN B 23 -4.163 -3.031 7.051 1.00 0.00 C ATOM 451 C GLN B 23 -3.405 -2.063 7.960 1.00 0.00 C ATOM 452 O GLN B 23 -3.182 -0.908 7.598 1.00 0.00 O ATOM 453 CB GLN B 23 -5.532 -2.464 6.667 1.00 0.00 C ATOM 454 CG GLN B 23 -6.534 -3.588 6.395 1.00 0.00 C ATOM 455 CD GLN B 23 -7.350 -3.910 7.648 1.00 0.00 C ATOM 456 OE1 GLN B 23 -7.822 -3.035 8.355 1.00 0.00 O ATOM 457 NE2 GLN B 23 -7.490 -5.212 7.883 1.00 0.00 N ATOM 0 H GLN B 23 -5.255 -4.671 7.763 1.00 0.00 H new ATOM 0 HA GLN B 23 -3.590 -3.161 6.133 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -5.904 -1.827 7.469 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -5.434 -1.837 5.781 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.203 -3.295 5.586 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.004 -4.480 6.063 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -7.069 -5.893 7.251 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -8.018 -5.530 8.696 1.00 0.00 H new ATOM 458 N VAL B 24 -3.027 -2.569 9.125 1.00 0.00 N ATOM 459 CA VAL B 24 -2.298 -1.764 10.091 1.00 0.00 C ATOM 460 C VAL B 24 -0.992 -1.278 9.459 1.00 0.00 C ATOM 461 O VAL B 24 -0.559 -0.153 9.708 1.00 0.00 O ATOM 462 CB VAL B 24 -2.080 -2.561 11.378 1.00 0.00 C ATOM 463 CG1 VAL B 24 -0.600 -2.906 11.564 1.00 0.00 C ATOM 464 CG2 VAL B 24 -2.622 -1.803 12.591 1.00 0.00 C ATOM 0 H VAL B 24 -3.212 -3.527 9.422 1.00 0.00 H new ATOM 0 HA VAL B 24 -2.875 -0.881 10.366 1.00 0.00 H new ATOM 0 HB VAL B 24 -2.635 -3.495 11.292 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -0.472 -3.473 12.486 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -0.257 -3.504 10.720 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -0.016 -1.987 11.619 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -2.454 -2.392 13.493 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -2.108 -0.846 12.682 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -3.691 -1.630 12.464 1.00 0.00 H new ATOM 465 N CYS B 25 -0.400 -2.149 8.656 1.00 0.00 N ATOM 466 CA CYS B 25 0.848 -1.822 7.986 1.00 0.00 C ATOM 467 C CYS B 25 0.562 -1.648 6.493 1.00 0.00 C ATOM 468 O CYS B 25 1.473 -1.723 5.670 1.00 0.00 O ATOM 469 CB CYS B 25 1.921 -2.883 8.243 1.00 0.00 C ATOM 470 SG CYS B 25 2.080 -3.408 9.988 1.00 0.00 S ATOM 0 H CYS B 25 -0.761 -3.081 8.454 1.00 0.00 H new ATOM 0 HA CYS B 25 1.247 -0.891 8.388 1.00 0.00 H new ATOM 0 HB2 CYS B 25 1.699 -3.759 7.634 1.00 0.00 H new ATOM 0 HB3 CYS B 25 2.883 -2.496 7.906 1.00 0.00 H new ATOM 471 N VAL B 26 -0.708 -1.421 6.190 1.00 0.00 N ATOM 472 CA VAL B 26 -1.125 -1.236 4.810 1.00 0.00 C ATOM 473 C VAL B 26 -1.008 0.244 4.441 1.00 0.00 C ATOM 474 O VAL B 26 -0.886 0.587 3.265 1.00 0.00 O ATOM 475 CB VAL B 26 -2.536 -1.792 4.611 1.00 0.00 C ATOM 476 CG1 VAL B 26 -3.237 -1.104 3.438 1.00 0.00 C ATOM 477 CG2 VAL B 26 -2.505 -3.310 4.418 1.00 0.00 C ATOM 0 H VAL B 26 -1.461 -1.361 6.875 1.00 0.00 H new ATOM 0 HA VAL B 26 -0.473 -1.792 4.136 1.00 0.00 H new ATOM 0 HB VAL B 26 -3.109 -1.581 5.514 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -4.238 -1.518 3.319 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -3.308 -0.034 3.633 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -2.665 -1.269 2.525 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -3.521 -3.680 4.279 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -1.907 -3.553 3.540 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -2.065 -3.780 5.298 1.00 0.00 H new ATOM 478 N CYS B 27 -1.050 1.083 5.465 1.00 0.00 N ATOM 479 CA CYS B 27 -0.951 2.518 5.264 1.00 0.00 C ATOM 480 C CYS B 27 0.532 2.897 5.232 1.00 0.00 C ATOM 481 O CYS B 27 0.962 3.660 4.368 1.00 0.00 O ATOM 482 CB CYS B 27 -1.716 3.295 6.337 1.00 0.00 C ATOM 483 SG CYS B 27 -3.074 4.345 5.702 1.00 0.00 S ATOM 0 H CYS B 27 -1.151 0.796 6.438 1.00 0.00 H new ATOM 0 HA CYS B 27 -1.415 2.787 4.315 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -2.129 2.586 7.054 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -1.012 3.925 6.881 1.00 0.00 H new ATOM 484 N PRO B 28 1.289 2.333 6.210 1.00 0.00 N ATOM 485 CA PRO B 28 2.715 2.603 6.302 1.00 0.00 C ATOM 486 C PRO B 28 3.487 1.849 5.219 1.00 0.00 C ATOM 487 O PRO B 28 4.698 2.019 5.083 1.00 0.00 O ATOM 488 CB PRO B 28 3.103 2.185 7.710 1.00 0.00 C ATOM 489 CG PRO B 28 1.993 1.269 8.196 1.00 0.00 C ATOM 490 CD PRO B 28 0.813 1.425 7.250 1.00 0.00 C ATOM 0 HA PRO B 28 2.957 3.652 6.131 1.00 0.00 H new ATOM 0 HB2 PRO B 28 4.063 1.670 7.713 1.00 0.00 H new ATOM 0 HB3 PRO B 28 3.205 3.054 8.361 1.00 0.00 H new ATOM 0 HG2 PRO B 28 2.333 0.234 8.215 1.00 0.00 H new ATOM 0 HG3 PRO B 28 1.703 1.528 9.214 1.00 0.00 H new ATOM 0 HD2 PRO B 28 0.512 0.465 6.830 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -0.056 1.834 7.765 1.00 0.00 H new ATOM 491 N THR B 29 2.756 1.031 4.476 1.00 0.00 N ATOM 492 CA THR B 29 3.358 0.250 3.409 1.00 0.00 C ATOM 493 C THR B 29 3.726 1.152 2.230 1.00 0.00 C ATOM 494 O THR B 29 4.807 1.023 1.658 1.00 0.00 O ATOM 495 CB THR B 29 2.385 -0.870 3.037 1.00 0.00 C ATOM 496 OG1 THR B 29 1.153 -0.473 3.631 1.00 0.00 O ATOM 497 CG2 THR B 29 2.722 -2.193 3.729 1.00 0.00 C ATOM 0 H THR B 29 1.752 0.892 4.592 1.00 0.00 H new ATOM 0 HA THR B 29 4.294 -0.206 3.732 1.00 0.00 H new ATOM 0 HB THR B 29 2.394 -1.012 1.956 1.00 0.00 H new ATOM 0 HG1 THR B 29 0.723 0.205 3.069 1.00 0.00 H new ATOM 0 HG21 THR B 29 2.001 -2.954 3.430 1.00 0.00 H new ATOM 0 HG22 THR B 29 3.724 -2.510 3.440 1.00 0.00 H new ATOM 0 HG23 THR B 29 2.681 -2.059 4.810 1.00 0.00 H new ATOM 498 N LEU B 30 2.804 2.046 1.900 1.00 0.00 N ATOM 499 CA LEU B 30 3.017 2.969 0.799 1.00 0.00 C ATOM 500 C LEU B 30 4.126 3.956 1.173 1.00 0.00 C ATOM 501 O LEU B 30 5.056 4.173 0.398 1.00 0.00 O ATOM 502 CB LEU B 30 1.703 3.642 0.401 1.00 0.00 C ATOM 503 CG LEU B 30 1.675 5.170 0.498 1.00 0.00 C ATOM 504 CD1 LEU B 30 2.955 5.778 -0.078 1.00 0.00 C ATOM 505 CD2 LEU B 30 0.420 5.739 -0.168 1.00 0.00 C ATOM 0 H LEU B 30 1.908 2.150 2.376 1.00 0.00 H new ATOM 0 HA LEU B 30 3.354 2.432 -0.088 1.00 0.00 H new ATOM 0 HB2 LEU B 30 1.469 3.359 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU B 30 0.908 3.243 1.031 1.00 0.00 H new ATOM 0 HG LEU B 30 1.633 5.445 1.552 1.00 0.00 H new ATOM 0 HD11 LEU B 30 2.910 6.864 0.003 1.00 0.00 H new ATOM 0 HD12 LEU B 30 3.816 5.408 0.479 1.00 0.00 H new ATOM 0 HD13 LEU B 30 3.052 5.496 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU B 30 0.425 6.826 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU B 30 0.406 5.456 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -0.466 5.341 0.326 1.00 0.00 H new ATOM 506 N LYS B 31 3.987 4.528 2.360 1.00 0.00 N ATOM 507 CA LYS B 31 4.965 5.486 2.848 1.00 0.00 C ATOM 508 C LYS B 31 6.365 5.044 2.417 1.00 0.00 C ATOM 509 O LYS B 31 7.165 5.859 1.962 1.00 0.00 O ATOM 510 CB LYS B 31 4.819 5.680 4.358 1.00 0.00 C ATOM 511 CG LYS B 31 5.724 4.714 5.125 1.00 0.00 C ATOM 512 CD LYS B 31 5.320 4.636 6.599 1.00 0.00 C ATOM 513 CE LYS B 31 6.218 5.527 7.460 1.00 0.00 C ATOM 514 NZ LYS B 31 6.799 4.751 8.578 1.00 0.00 N ATOM 0 H LYS B 31 3.212 4.347 2.998 1.00 0.00 H new ATOM 0 HA LYS B 31 4.790 6.467 2.406 1.00 0.00 H new ATOM 0 HB2 LYS B 31 5.071 6.707 4.622 1.00 0.00 H new ATOM 0 HB3 LYS B 31 3.781 5.521 4.650 1.00 0.00 H new ATOM 0 HG2 LYS B 31 5.667 3.723 4.676 1.00 0.00 H new ATOM 0 HG3 LYS B 31 6.761 5.041 5.045 1.00 0.00 H new ATOM 0 HD2 LYS B 31 4.280 4.944 6.712 1.00 0.00 H new ATOM 0 HD3 LYS B 31 5.386 3.604 6.944 1.00 0.00 H new ATOM 0 HE2 LYS B 31 7.016 5.948 6.849 1.00 0.00 H new ATOM 0 HE3 LYS B 31 5.641 6.364 7.852 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 7.308 5.393 9.218 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 6.038 4.272 9.101 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 7.460 4.042 8.202 1.00 0.00 H new ATOM 515 N GLN B 32 6.618 3.753 2.576 1.00 0.00 N ATOM 516 CA GLN B 32 7.908 3.192 2.209 1.00 0.00 C ATOM 517 C GLN B 32 8.088 3.224 0.690 1.00 0.00 C ATOM 518 O GLN B 32 9.170 3.535 0.195 1.00 0.00 O ATOM 519 CB GLN B 32 8.061 1.769 2.750 1.00 0.00 C ATOM 520 CG GLN B 32 8.885 1.759 4.039 1.00 0.00 C ATOM 521 CD GLN B 32 8.354 2.788 5.038 1.00 0.00 C ATOM 522 OE1 GLN B 32 8.722 3.952 5.025 1.00 0.00 O ATOM 523 NE2 GLN B 32 7.471 2.298 5.903 1.00 0.00 N ATOM 0 H GLN B 32 5.952 3.079 2.954 1.00 0.00 H new ATOM 0 HA GLN B 32 8.690 3.803 2.661 1.00 0.00 H new ATOM 0 HB2 GLN B 32 7.077 1.340 2.940 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.543 1.141 2.001 1.00 0.00 H new ATOM 0 HG2 GLN B 32 8.856 0.765 4.485 1.00 0.00 H new ATOM 0 HG3 GLN B 32 9.928 1.975 3.809 1.00 0.00 H new ATOM 0 HE21 GLN B 32 7.206 1.314 5.859 1.00 0.00 H new ATOM 0 HE22 GLN B 32 7.058 2.906 6.610 1.00 0.00 H new ATOM 524 N ALA B 33 7.011 2.896 -0.008 1.00 0.00 N ATOM 525 CA ALA B 33 7.035 2.883 -1.461 1.00 0.00 C ATOM 526 C ALA B 33 7.244 4.307 -1.976 1.00 0.00 C ATOM 527 O ALA B 33 8.058 4.535 -2.870 1.00 0.00 O ATOM 528 CB ALA B 33 5.743 2.255 -1.989 1.00 0.00 C ATOM 0 H ALA B 33 6.115 2.637 0.406 1.00 0.00 H new ATOM 0 HA ALA B 33 7.864 2.276 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA B 33 5.762 2.246 -3.079 1.00 0.00 H new ATOM 0 HB2 ALA B 33 5.657 1.233 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.888 2.838 -1.646 1.00 0.00 H new ATOM 529 N ALA B 34 6.496 5.230 -1.390 1.00 0.00 N ATOM 530 CA ALA B 34 6.588 6.627 -1.779 1.00 0.00 C ATOM 531 C ALA B 34 7.980 7.157 -1.431 1.00 0.00 C ATOM 532 O ALA B 34 8.581 7.896 -2.212 1.00 0.00 O ATOM 533 CB ALA B 34 5.474 7.423 -1.095 1.00 0.00 C ATOM 0 H ALA B 34 5.823 5.038 -0.648 1.00 0.00 H new ATOM 0 HA ALA B 34 6.452 6.735 -2.855 1.00 0.00 H new ATOM 0 HB1 ALA B 34 5.543 8.471 -1.387 1.00 0.00 H new ATOM 0 HB2 ALA B 34 4.505 7.026 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA B 34 5.579 7.340 -0.013 1.00 0.00 H new ATOM 534 N LYS B 35 8.455 6.760 -0.260 1.00 0.00 N ATOM 535 CA LYS B 35 9.765 7.187 0.202 1.00 0.00 C ATOM 536 C LYS B 35 10.747 7.158 -0.972 1.00 0.00 C ATOM 537 O LYS B 35 11.319 8.186 -1.331 1.00 0.00 O ATOM 538 CB LYS B 35 10.213 6.344 1.397 1.00 0.00 C ATOM 539 CG LYS B 35 11.660 6.658 1.779 1.00 0.00 C ATOM 540 CD LYS B 35 11.926 6.325 3.249 1.00 0.00 C ATOM 541 CE LYS B 35 12.449 7.548 4.003 1.00 0.00 C ATOM 542 NZ LYS B 35 12.103 7.459 5.439 1.00 0.00 N ATOM 0 H LYS B 35 7.956 6.146 0.384 1.00 0.00 H new ATOM 0 HA LYS B 35 9.726 8.215 0.563 1.00 0.00 H new ATOM 0 HB2 LYS B 35 9.559 6.536 2.248 1.00 0.00 H new ATOM 0 HB3 LYS B 35 10.119 5.285 1.155 1.00 0.00 H new ATOM 0 HG2 LYS B 35 12.339 6.088 1.145 1.00 0.00 H new ATOM 0 HG3 LYS B 35 11.866 7.713 1.599 1.00 0.00 H new ATOM 0 HD2 LYS B 35 11.008 5.970 3.717 1.00 0.00 H new ATOM 0 HD3 LYS B 35 12.652 5.514 3.316 1.00 0.00 H new ATOM 0 HE2 LYS B 35 13.531 7.619 3.887 1.00 0.00 H new ATOM 0 HE3 LYS B 35 12.023 8.456 3.576 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 12.466 8.297 5.936 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 11.069 7.414 5.545 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 12.530 6.603 5.847 1.00 0.00 H new ATOM 543 N SER B 36 10.912 5.971 -1.535 1.00 0.00 N ATOM 544 CA SER B 36 11.815 5.795 -2.660 1.00 0.00 C ATOM 545 C SER B 36 11.156 6.304 -3.944 1.00 0.00 C ATOM 546 O SER B 36 11.734 7.118 -4.663 1.00 0.00 O ATOM 547 CB SER B 36 12.221 4.329 -2.817 1.00 0.00 C ATOM 548 OG SER B 36 12.740 3.786 -1.606 1.00 0.00 O ATOM 0 H SER B 36 10.436 5.121 -1.233 1.00 0.00 H new ATOM 0 HA SER B 36 12.718 6.375 -2.468 1.00 0.00 H new ATOM 0 HB2 SER B 36 11.357 3.746 -3.135 1.00 0.00 H new ATOM 0 HB3 SER B 36 12.971 4.243 -3.604 1.00 0.00 H new ATOM 0 HG SER B 36 12.986 2.848 -1.747 1.00 0.00 H new ATOM 549 N VAL B 37 9.956 5.803 -4.194 1.00 0.00 N ATOM 550 CA VAL B 37 9.212 6.196 -5.379 1.00 0.00 C ATOM 551 C VAL B 37 9.363 7.704 -5.593 1.00 0.00 C ATOM 552 O VAL B 37 10.113 8.138 -6.467 1.00 0.00 O ATOM 553 CB VAL B 37 7.753 5.754 -5.251 1.00 0.00 C ATOM 554 CG1 VAL B 37 6.859 6.525 -6.225 1.00 0.00 C ATOM 555 CG2 VAL B 37 7.617 4.245 -5.461 1.00 0.00 C ATOM 0 H VAL B 37 9.480 5.128 -3.596 1.00 0.00 H new ATOM 0 HA VAL B 37 9.612 5.700 -6.263 1.00 0.00 H new ATOM 0 HB VAL B 37 7.421 5.983 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL B 37 5.827 6.192 -6.114 1.00 0.00 H new ATOM 0 HG12 VAL B 37 6.921 7.592 -6.009 1.00 0.00 H new ATOM 0 HG13 VAL B 37 7.191 6.342 -7.247 1.00 0.00 H new ATOM 0 HG21 VAL B 37 6.570 3.957 -5.365 1.00 0.00 H new ATOM 0 HG22 VAL B 37 7.975 3.982 -6.456 1.00 0.00 H new ATOM 0 HG23 VAL B 37 8.208 3.719 -4.712 1.00 0.00 H new ATOM 556 N ARG B 38 8.639 8.460 -4.781 1.00 0.00 N ATOM 557 CA ARG B 38 8.684 9.910 -4.872 1.00 0.00 C ATOM 558 C ARG B 38 9.828 10.350 -5.786 1.00 0.00 C ATOM 559 O ARG B 38 9.595 10.949 -6.834 1.00 0.00 O ATOM 560 CB ARG B 38 8.870 10.542 -3.491 1.00 0.00 C ATOM 561 CG ARG B 38 9.233 12.024 -3.611 1.00 0.00 C ATOM 562 CD ARG B 38 9.039 12.745 -2.276 1.00 0.00 C ATOM 563 NE ARG B 38 10.347 12.947 -1.614 1.00 0.00 N ATOM 564 CZ ARG B 38 10.600 13.924 -0.718 1.00 0.00 C ATOM 565 NH1 ARG B 38 9.634 14.799 -0.368 1.00 0.00 N ATOM 566 NH2 ARG B 38 11.806 14.010 -0.189 1.00 0.00 N ATOM 0 H ARG B 38 8.018 8.097 -4.058 1.00 0.00 H new ATOM 0 HA ARG B 38 7.734 10.246 -5.288 1.00 0.00 H new ATOM 0 HB2 ARG B 38 7.953 10.434 -2.911 1.00 0.00 H new ATOM 0 HB3 ARG B 38 9.654 10.014 -2.948 1.00 0.00 H new ATOM 0 HG2 ARG B 38 10.269 12.123 -3.935 1.00 0.00 H new ATOM 0 HG3 ARG B 38 8.614 12.493 -4.375 1.00 0.00 H new ATOM 0 HD2 ARG B 38 8.553 13.707 -2.440 1.00 0.00 H new ATOM 0 HD3 ARG B 38 8.382 12.162 -1.631 1.00 0.00 H new ATOM 0 HE ARG B 38 11.106 12.307 -1.850 1.00 0.00 H new ATOM 0 HH11 ARG B 38 8.704 14.725 -0.781 1.00 0.00 H new ATOM 0 HH12 ARG B 38 9.833 15.535 0.310 1.00 0.00 H new ATOM 0 HH21 ARG B 38 12.530 13.344 -0.459 1.00 0.00 H new ATOM 0 HH22 ARG B 38 12.014 14.742 0.490 1.00 0.00 H new ATOM 567 N VAL B 39 11.042 10.036 -5.355 1.00 0.00 N ATOM 568 CA VAL B 39 12.223 10.391 -6.123 1.00 0.00 C ATOM 569 C VAL B 39 11.804 11.197 -7.353 1.00 0.00 C ATOM 570 O VAL B 39 11.358 10.629 -8.349 1.00 0.00 O ATOM 571 CB VAL B 39 13.017 9.132 -6.474 1.00 0.00 C ATOM 572 CG1 VAL B 39 13.695 9.274 -7.839 1.00 0.00 C ATOM 573 CG2 VAL B 39 14.041 8.806 -5.384 1.00 0.00 C ATOM 0 H VAL B 39 11.232 9.540 -4.484 1.00 0.00 H new ATOM 0 HA VAL B 39 12.887 11.023 -5.532 1.00 0.00 H new ATOM 0 HB VAL B 39 12.315 8.300 -6.533 1.00 0.00 H new ATOM 0 HG11 VAL B 39 14.253 8.365 -8.064 1.00 0.00 H new ATOM 0 HG12 VAL B 39 12.938 9.435 -8.606 1.00 0.00 H new ATOM 0 HG13 VAL B 39 14.378 10.123 -7.820 1.00 0.00 H new ATOM 0 HG21 VAL B 39 14.591 7.906 -5.659 1.00 0.00 H new ATOM 0 HG22 VAL B 39 14.736 9.639 -5.277 1.00 0.00 H new ATOM 0 HG23 VAL B 39 13.525 8.641 -4.438 1.00 0.00 H new ATOM 574 N GLN B 40 11.960 12.508 -7.245 1.00 0.00 N ATOM 575 CA GLN B 40 11.603 13.397 -8.337 1.00 0.00 C ATOM 576 C GLN B 40 11.273 12.590 -9.594 1.00 0.00 C ATOM 577 O GLN B 40 10.183 12.030 -9.707 1.00 0.00 O ATOM 578 CB GLN B 40 12.722 14.405 -8.612 1.00 0.00 C ATOM 579 CG GLN B 40 12.393 15.271 -9.829 1.00 0.00 C ATOM 580 CD GLN B 40 13.556 15.285 -10.823 1.00 0.00 C ATOM 581 OE1 GLN B 40 13.430 14.894 -11.971 1.00 0.00 O ATOM 582 NE2 GLN B 40 14.693 15.756 -10.319 1.00 0.00 N ATOM 0 H GLN B 40 12.329 12.976 -6.417 1.00 0.00 H new ATOM 0 HA GLN B 40 10.715 13.958 -8.046 1.00 0.00 H new ATOM 0 HB2 GLN B 40 12.867 15.040 -7.738 1.00 0.00 H new ATOM 0 HB3 GLN B 40 13.660 13.876 -8.781 1.00 0.00 H new ATOM 0 HG2 GLN B 40 11.496 14.891 -10.318 1.00 0.00 H new ATOM 0 HG3 GLN B 40 12.173 16.289 -9.507 1.00 0.00 H new ATOM 0 HE21 GLN B 40 14.730 16.067 -9.348 1.00 0.00 H new ATOM 0 HE22 GLN B 40 15.528 15.806 -10.903 1.00 0.00 H new ATOM 583 N GLY B 41 12.234 12.554 -10.505 1.00 0.00 N ATOM 584 CA GLY B 41 12.058 11.823 -11.749 1.00 0.00 C ATOM 585 C GLY B 41 10.812 12.305 -12.496 1.00 0.00 C ATOM 586 O GLY B 41 10.909 13.125 -13.408 1.00 0.00 O ATOM 0 H GLY B 41 13.137 13.019 -10.407 1.00 0.00 H new ATOM 0 HA2 GLY B 41 12.938 11.953 -12.379 1.00 0.00 H new ATOM 0 HA3 GLY B 41 11.971 10.757 -11.539 1.00 0.00 H new ATOM 587 N GLN B 42 9.670 11.773 -12.082 1.00 0.00 N ATOM 588 CA GLN B 42 8.408 12.138 -12.701 1.00 0.00 C ATOM 589 C GLN B 42 7.437 12.675 -11.648 1.00 0.00 C ATOM 590 O GLN B 42 6.321 13.079 -11.976 1.00 0.00 O ATOM 591 CB GLN B 42 7.802 10.950 -13.451 1.00 0.00 C ATOM 592 CG GLN B 42 7.740 11.226 -14.956 1.00 0.00 C ATOM 593 CD GLN B 42 7.122 12.597 -15.237 1.00 0.00 C ATOM 594 OE1 GLN B 42 6.056 12.873 -14.490 1.00 0.00 O flip ATOM 595 NE2 GLN B 42 7.583 13.354 -16.075 1.00 0.00 N flip ATOM 0 H GLN B 42 9.594 11.093 -11.326 1.00 0.00 H new ATOM 0 HA GLN B 42 8.597 12.927 -13.429 1.00 0.00 H new ATOM 0 HB2 GLN B 42 8.398 10.056 -13.266 1.00 0.00 H new ATOM 0 HB3 GLN B 42 6.800 10.749 -13.073 1.00 0.00 H new ATOM 0 HG2 GLN B 42 8.744 11.182 -15.379 1.00 0.00 H new ATOM 0 HG3 GLN B 42 7.152 10.451 -15.448 1.00 0.00 H new ATOM 0 HE21 GLN B 42 8.404 13.079 -16.614 1.00 0.00 H new ATOM 0 HE22 GLN B 42 7.147 14.262 -16.237 1.00 0.00 H new ATOM 596 N HIS B 43 7.895 12.661 -10.405 1.00 0.00 N ATOM 597 CA HIS B 43 7.081 13.142 -9.303 1.00 0.00 C ATOM 598 C HIS B 43 7.783 14.316 -8.619 1.00 0.00 C ATOM 599 O HIS B 43 8.008 14.292 -7.410 1.00 0.00 O ATOM 600 CB HIS B 43 6.751 12.004 -8.334 1.00 0.00 C ATOM 601 CG HIS B 43 5.574 12.288 -7.430 1.00 0.00 C ATOM 602 ND1 HIS B 43 4.271 11.982 -7.779 1.00 0.00 N ATOM 603 CD2 HIS B 43 5.520 12.852 -6.189 1.00 0.00 C ATOM 604 CE1 HIS B 43 3.475 12.350 -6.785 1.00 0.00 C ATOM 605 NE2 HIS B 43 4.252 12.889 -5.801 1.00 0.00 N ATOM 0 H HIS B 43 8.820 12.324 -10.137 1.00 0.00 H new ATOM 0 HA HIS B 43 6.127 13.506 -9.684 1.00 0.00 H new ATOM 0 HB2 HIS B 43 6.546 11.100 -8.908 1.00 0.00 H new ATOM 0 HB3 HIS B 43 7.627 11.799 -7.719 1.00 0.00 H new ATOM 0 HD1 HIS B 43 3.973 11.547 -8.652 1.00 0.00 H new ATOM 0 HD2 HIS B 43 6.366 13.208 -5.619 1.00 0.00 H new ATOM 0 HE1 HIS B 43 2.401 12.242 -6.758 1.00 0.00 H new ATOM 606 N GLY B 44 8.110 15.318 -9.423 1.00 0.00 N ATOM 607 CA GLY B 44 8.784 16.499 -8.911 1.00 0.00 C ATOM 608 C GLY B 44 7.799 17.423 -8.192 1.00 0.00 C ATOM 609 O GLY B 44 8.158 18.083 -7.218 1.00 0.00 O ATOM 0 H GLY B 44 7.921 15.336 -10.425 1.00 0.00 H new ATOM 0 HA2 GLY B 44 9.576 16.201 -8.224 1.00 0.00 H new ATOM 0 HA3 GLY B 44 9.259 17.036 -9.732 1.00 0.00 H new ATOM 610 N PRO B 45 6.542 17.441 -8.713 1.00 0.00 N ATOM 611 CA PRO B 45 5.503 18.273 -8.131 1.00 0.00 C ATOM 612 C PRO B 45 4.988 17.671 -6.822 1.00 0.00 C ATOM 613 O PRO B 45 4.984 16.453 -6.653 1.00 0.00 O ATOM 614 CB PRO B 45 4.429 18.368 -9.203 1.00 0.00 C ATOM 615 CG PRO B 45 4.691 17.215 -10.159 1.00 0.00 C ATOM 616 CD PRO B 45 6.080 16.673 -9.865 1.00 0.00 C ATOM 0 HA PRO B 45 5.863 19.265 -7.856 1.00 0.00 H new ATOM 0 HB2 PRO B 45 3.433 18.294 -8.766 1.00 0.00 H new ATOM 0 HB3 PRO B 45 4.479 19.325 -9.722 1.00 0.00 H new ATOM 0 HG2 PRO B 45 3.941 16.434 -10.030 1.00 0.00 H new ATOM 0 HG3 PRO B 45 4.624 17.554 -11.193 1.00 0.00 H new ATOM 0 HD2 PRO B 45 6.050 15.606 -9.643 1.00 0.00 H new ATOM 0 HD3 PRO B 45 6.744 16.802 -10.719 1.00 0.00 H new ATOM 617 N PHE B 46 4.567 18.554 -5.928 1.00 0.00 N ATOM 618 CA PHE B 46 4.051 18.126 -4.638 1.00 0.00 C ATOM 619 C PHE B 46 2.536 17.923 -4.694 1.00 0.00 C ATOM 620 O PHE B 46 1.826 18.692 -5.340 1.00 0.00 O ATOM 621 CB PHE B 46 4.369 19.238 -3.637 1.00 0.00 C ATOM 622 CG PHE B 46 5.821 19.243 -3.154 1.00 0.00 C ATOM 623 CD1 PHE B 46 6.839 19.225 -4.055 1.00 0.00 C ATOM 624 CD2 PHE B 46 6.094 19.266 -1.821 1.00 0.00 C ATOM 625 CE1 PHE B 46 8.186 19.230 -3.606 1.00 0.00 C ATOM 626 CE2 PHE B 46 7.440 19.270 -1.372 1.00 0.00 C ATOM 627 CZ PHE B 46 8.458 19.252 -2.274 1.00 0.00 C ATOM 0 H PHE B 46 4.573 19.564 -6.071 1.00 0.00 H new ATOM 0 HA PHE B 46 4.507 17.179 -4.351 1.00 0.00 H new ATOM 0 HB2 PHE B 46 4.146 20.201 -4.096 1.00 0.00 H new ATOM 0 HB3 PHE B 46 3.710 19.136 -2.775 1.00 0.00 H new ATOM 0 HD1 PHE B 46 6.623 19.207 -5.113 1.00 0.00 H new ATOM 0 HD2 PHE B 46 5.286 19.281 -1.105 1.00 0.00 H new ATOM 0 HE1 PHE B 46 8.994 19.216 -4.322 1.00 0.00 H new ATOM 0 HE2 PHE B 46 7.656 19.287 -0.314 1.00 0.00 H new ATOM 0 HZ PHE B 46 9.482 19.255 -1.932 1.00 0.00 H new ATOM 628 N GLN B 47 2.084 16.884 -4.007 1.00 0.00 N ATOM 629 CA GLN B 47 0.666 16.572 -3.969 1.00 0.00 C ATOM 630 C GLN B 47 0.426 15.292 -3.166 1.00 0.00 C ATOM 631 O GLN B 47 -0.648 15.105 -2.593 1.00 0.00 O ATOM 632 CB GLN B 47 0.094 16.447 -5.383 1.00 0.00 C ATOM 633 CG GLN B 47 1.010 15.605 -6.273 1.00 0.00 C ATOM 634 CD GLN B 47 0.574 15.682 -7.737 1.00 0.00 C ATOM 635 OE1 GLN B 47 0.746 16.685 -8.410 1.00 0.00 O ATOM 636 NE2 GLN B 47 0.002 14.570 -8.191 1.00 0.00 N ATOM 0 H GLN B 47 2.675 16.248 -3.472 1.00 0.00 H new ATOM 0 HA GLN B 47 0.146 17.392 -3.473 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -0.895 15.992 -5.340 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -0.030 17.439 -5.818 1.00 0.00 H new ATOM 0 HG2 GLN B 47 2.038 15.955 -6.177 1.00 0.00 H new ATOM 0 HG3 GLN B 47 0.994 14.568 -5.939 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -0.111 13.766 -7.574 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -0.323 14.521 -9.156 1.00 0.00 H new ATOM 637 N SER B 48 1.442 14.442 -3.149 1.00 0.00 N ATOM 638 CA SER B 48 1.354 13.184 -2.426 1.00 0.00 C ATOM 639 C SER B 48 1.665 13.411 -0.945 1.00 0.00 C ATOM 640 O SER B 48 0.970 12.888 -0.075 1.00 0.00 O ATOM 641 CB SER B 48 2.307 12.143 -3.015 1.00 0.00 C ATOM 642 OG SER B 48 1.860 11.667 -4.281 1.00 0.00 O ATOM 0 H SER B 48 2.331 14.599 -3.624 1.00 0.00 H new ATOM 0 HA SER B 48 0.338 12.802 -2.524 1.00 0.00 H new ATOM 0 HB2 SER B 48 3.300 12.580 -3.122 1.00 0.00 H new ATOM 0 HB3 SER B 48 2.400 11.305 -2.325 1.00 0.00 H new ATOM 0 HG SER B 48 2.496 11.005 -4.625 1.00 0.00 H new ATOM 643 N THR B 49 2.710 14.189 -0.704 1.00 0.00 N ATOM 644 CA THR B 49 3.121 14.490 0.657 1.00 0.00 C ATOM 645 C THR B 49 1.897 14.630 1.564 1.00 0.00 C ATOM 646 O THR B 49 1.886 14.112 2.680 1.00 0.00 O ATOM 647 CB THR B 49 3.997 15.744 0.619 1.00 0.00 C ATOM 648 OG1 THR B 49 5.287 15.279 1.001 1.00 0.00 O ATOM 649 CG2 THR B 49 3.626 16.750 1.711 1.00 0.00 C ATOM 0 H THR B 49 3.284 14.620 -1.428 1.00 0.00 H new ATOM 0 HA THR B 49 3.710 13.678 1.082 1.00 0.00 H new ATOM 0 HB THR B 49 3.908 16.219 -0.358 1.00 0.00 H new ATOM 0 HG1 THR B 49 5.918 16.029 1.001 1.00 0.00 H new ATOM 0 HG21 THR B 49 4.277 17.621 1.640 1.00 0.00 H new ATOM 0 HG22 THR B 49 2.589 17.061 1.582 1.00 0.00 H new ATOM 0 HG23 THR B 49 3.747 16.286 2.690 1.00 0.00 H new ATOM 650 N ARG B 50 0.897 15.332 1.052 1.00 0.00 N ATOM 651 CA ARG B 50 -0.328 15.546 1.804 1.00 0.00 C ATOM 652 C ARG B 50 -1.003 14.208 2.110 1.00 0.00 C ATOM 653 O ARG B 50 -1.126 13.822 3.271 1.00 0.00 O ATOM 654 CB ARG B 50 -1.301 16.435 1.028 1.00 0.00 C ATOM 655 CG ARG B 50 -0.618 17.069 -0.185 1.00 0.00 C ATOM 656 CD ARG B 50 -1.544 18.071 -0.876 1.00 0.00 C ATOM 657 NE ARG B 50 -2.307 18.835 0.136 1.00 0.00 N ATOM 658 CZ ARG B 50 -1.763 19.736 0.965 1.00 0.00 C ATOM 659 NH1 ARG B 50 -0.449 19.992 0.907 1.00 0.00 N ATOM 660 NH2 ARG B 50 -2.532 20.382 1.852 1.00 0.00 N ATOM 0 H ARG B 50 0.910 15.760 0.126 1.00 0.00 H new ATOM 0 HA ARG B 50 -0.063 16.044 2.736 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -2.156 15.844 0.700 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -1.686 17.217 1.683 1.00 0.00 H new ATOM 0 HG2 ARG B 50 0.297 17.571 0.130 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -0.327 16.291 -0.891 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -0.960 18.753 -1.494 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -2.230 17.546 -1.541 1.00 0.00 H new ATOM 0 HE ARG B 50 -3.310 18.665 0.207 1.00 0.00 H new ATOM 0 HH11 ARG B 50 0.137 19.501 0.232 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -0.035 20.678 1.538 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -3.532 20.188 1.896 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -2.117 21.068 2.483 1.00 0.00 H new ATOM 661 N ILE B 51 -1.423 13.536 1.048 1.00 0.00 N ATOM 662 CA ILE B 51 -2.083 12.249 1.190 1.00 0.00 C ATOM 663 C ILE B 51 -1.054 11.198 1.611 1.00 0.00 C ATOM 664 O ILE B 51 -1.344 10.340 2.444 1.00 0.00 O ATOM 665 CB ILE B 51 -2.839 11.892 -0.092 1.00 0.00 C ATOM 666 CG1 ILE B 51 -3.068 10.382 -0.190 1.00 0.00 C ATOM 667 CG2 ILE B 51 -2.122 12.445 -1.325 1.00 0.00 C ATOM 668 CD1 ILE B 51 -4.395 9.985 0.459 1.00 0.00 C ATOM 0 H ILE B 51 -1.319 13.858 0.086 1.00 0.00 H new ATOM 0 HA ILE B 51 -2.837 12.290 1.976 1.00 0.00 H new ATOM 0 HB ILE B 51 -3.820 12.365 -0.053 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -3.066 10.078 -1.237 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -2.248 9.854 0.297 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -2.681 12.177 -2.222 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -2.055 13.530 -1.251 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -1.119 12.022 -1.383 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -4.533 8.907 0.375 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -4.385 10.269 1.511 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -5.214 10.496 -0.047 1.00 0.00 H new ATOM 669 N TYR B 52 0.124 11.297 1.014 1.00 0.00 N ATOM 670 CA TYR B 52 1.198 10.365 1.318 1.00 0.00 C ATOM 671 C TYR B 52 1.208 10.005 2.804 1.00 0.00 C ATOM 672 O TYR B 52 1.488 8.864 3.168 1.00 0.00 O ATOM 673 CB TYR B 52 2.499 11.093 0.972 1.00 0.00 C ATOM 674 CG TYR B 52 3.730 10.540 1.692 1.00 0.00 C ATOM 675 CD1 TYR B 52 4.203 9.281 1.382 1.00 0.00 C ATOM 676 CD2 TYR B 52 4.369 11.300 2.650 1.00 0.00 C ATOM 677 CE1 TYR B 52 5.362 8.761 2.060 1.00 0.00 C ATOM 678 CE2 TYR B 52 5.529 10.780 3.328 1.00 0.00 C ATOM 679 CZ TYR B 52 5.968 9.536 2.999 1.00 0.00 C ATOM 680 OH TYR B 52 7.063 9.044 3.638 1.00 0.00 O ATOM 0 H TYR B 52 0.359 12.008 0.321 1.00 0.00 H new ATOM 0 HA TYR B 52 1.074 9.440 0.755 1.00 0.00 H new ATOM 0 HB2 TYR B 52 2.662 11.033 -0.104 1.00 0.00 H new ATOM 0 HB3 TYR B 52 2.390 12.149 1.219 1.00 0.00 H new ATOM 0 HD1 TYR B 52 3.704 8.686 0.631 1.00 0.00 H new ATOM 0 HD2 TYR B 52 3.999 12.286 2.892 1.00 0.00 H new ATOM 0 HE1 TYR B 52 5.742 7.777 1.828 1.00 0.00 H new ATOM 0 HE2 TYR B 52 6.038 11.365 4.080 1.00 0.00 H new ATOM 0 HH TYR B 52 7.392 9.706 4.281 1.00 0.00 H new ATOM 681 N GLN B 53 0.897 10.999 3.624 1.00 0.00 N ATOM 682 CA GLN B 53 0.866 10.801 5.063 1.00 0.00 C ATOM 683 C GLN B 53 0.131 9.504 5.404 1.00 0.00 C ATOM 684 O GLN B 53 0.685 8.629 6.070 1.00 0.00 O ATOM 685 CB GLN B 53 0.224 11.998 5.768 1.00 0.00 C ATOM 686 CG GLN B 53 1.222 13.149 5.913 1.00 0.00 C ATOM 687 CD GLN B 53 0.804 14.097 7.039 1.00 0.00 C ATOM 688 OE1 GLN B 53 -0.059 14.946 6.881 1.00 0.00 O ATOM 689 NE2 GLN B 53 1.461 13.906 8.179 1.00 0.00 N ATOM 0 H GLN B 53 0.664 11.944 3.319 1.00 0.00 H new ATOM 0 HA GLN B 53 1.892 10.719 5.421 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -0.645 12.334 5.202 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -0.134 11.696 6.752 1.00 0.00 H new ATOM 0 HG2 GLN B 53 2.215 12.750 6.118 1.00 0.00 H new ATOM 0 HG3 GLN B 53 1.287 13.699 4.974 1.00 0.00 H new ATOM 0 HE21 GLN B 53 2.172 13.177 8.242 1.00 0.00 H new ATOM 0 HE22 GLN B 53 1.254 14.488 8.990 1.00 0.00 H new ATOM 690 N ILE B 54 -1.104 9.419 4.934 1.00 0.00 N ATOM 691 CA ILE B 54 -1.920 8.244 5.182 1.00 0.00 C ATOM 692 C ILE B 54 -1.538 7.144 4.190 1.00 0.00 C ATOM 693 O ILE B 54 -0.779 6.235 4.527 1.00 0.00 O ATOM 694 CB ILE B 54 -3.406 8.607 5.152 1.00 0.00 C ATOM 695 CG1 ILE B 54 -3.857 8.959 3.733 1.00 0.00 C ATOM 696 CG2 ILE B 54 -3.716 9.729 6.146 1.00 0.00 C ATOM 697 CD1 ILE B 54 -4.645 7.807 3.106 1.00 0.00 C ATOM 0 H ILE B 54 -1.560 10.146 4.382 1.00 0.00 H new ATOM 0 HA ILE B 54 -1.730 7.854 6.182 1.00 0.00 H new ATOM 0 HB ILE B 54 -3.977 7.732 5.463 1.00 0.00 H new ATOM 0 HG12 ILE B 54 -4.475 9.857 3.756 1.00 0.00 H new ATOM 0 HG13 ILE B 54 -2.987 9.187 3.117 1.00 0.00 H new ATOM 0 HG21 ILE B 54 -4.779 9.968 6.105 1.00 0.00 H new ATOM 0 HG22 ILE B 54 -3.456 9.405 7.154 1.00 0.00 H new ATOM 0 HG23 ILE B 54 -3.135 10.614 5.888 1.00 0.00 H new ATOM 0 HD11 ILE B 54 -4.954 8.084 2.098 1.00 0.00 H new ATOM 0 HD12 ILE B 54 -4.016 6.918 3.062 1.00 0.00 H new ATOM 0 HD13 ILE B 54 -5.527 7.598 3.711 1.00 0.00 H new ATOM 698 N ALA B 55 -2.078 7.261 2.986 1.00 0.00 N ATOM 699 CA ALA B 55 -1.802 6.287 1.943 1.00 0.00 C ATOM 700 C ALA B 55 -2.642 6.618 0.708 1.00 0.00 C ATOM 701 O ALA B 55 -3.081 7.755 0.537 1.00 0.00 O ATOM 702 CB ALA B 55 -2.075 4.879 2.474 1.00 0.00 C ATOM 0 H ALA B 55 -2.706 8.016 2.709 1.00 0.00 H new ATOM 0 HA ALA B 55 -0.753 6.326 1.649 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -1.868 4.149 1.692 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -1.433 4.683 3.333 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -3.119 4.800 2.777 1.00 0.00 H new ATOM 703 N LYS B 56 -2.841 5.604 -0.122 1.00 0.00 N ATOM 704 CA LYS B 56 -3.621 5.773 -1.336 1.00 0.00 C ATOM 705 C LYS B 56 -3.870 4.404 -1.972 1.00 0.00 C ATOM 706 O LYS B 56 -2.993 3.857 -2.640 1.00 0.00 O ATOM 707 CB LYS B 56 -2.942 6.772 -2.275 1.00 0.00 C ATOM 708 CG LYS B 56 -1.773 7.472 -1.578 1.00 0.00 C ATOM 709 CD LYS B 56 -0.653 7.789 -2.571 1.00 0.00 C ATOM 710 CE LYS B 56 -0.912 9.118 -3.285 1.00 0.00 C ATOM 711 NZ LYS B 56 0.365 9.765 -3.656 1.00 0.00 N ATOM 0 H LYS B 56 -2.475 4.663 0.023 1.00 0.00 H new ATOM 0 HA LYS B 56 -4.597 6.200 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS B 56 -2.583 6.254 -3.164 1.00 0.00 H new ATOM 0 HB3 LYS B 56 -3.668 7.514 -2.609 1.00 0.00 H new ATOM 0 HG2 LYS B 56 -2.122 8.393 -1.112 1.00 0.00 H new ATOM 0 HG3 LYS B 56 -1.388 6.837 -0.780 1.00 0.00 H new ATOM 0 HD2 LYS B 56 0.301 7.834 -2.046 1.00 0.00 H new ATOM 0 HD3 LYS B 56 -0.575 6.987 -3.305 1.00 0.00 H new ATOM 0 HE2 LYS B 56 -1.512 8.946 -4.178 1.00 0.00 H new ATOM 0 HE3 LYS B 56 -1.487 9.780 -2.637 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 0.215 10.788 -3.771 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 1.068 9.600 -2.908 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 0.711 9.363 -4.551 1.00 0.00 H new ATOM 712 N ASN B 57 -5.068 3.889 -1.741 1.00 0.00 N ATOM 713 CA ASN B 57 -5.443 2.594 -2.283 1.00 0.00 C ATOM 714 C ASN B 57 -4.812 2.422 -3.666 1.00 0.00 C ATOM 715 O ASN B 57 -4.107 1.445 -3.913 1.00 0.00 O ATOM 716 CB ASN B 57 -6.961 2.480 -2.438 1.00 0.00 C ATOM 717 CG ASN B 57 -7.586 1.784 -1.228 1.00 0.00 C ATOM 718 OD1 ASN B 57 -6.797 0.876 -0.659 1.00 0.00 O flip ATOM 719 ND2 ASN B 57 -8.709 2.053 -0.836 1.00 0.00 N flip ATOM 0 H ASN B 57 -5.792 4.345 -1.186 1.00 0.00 H new ATOM 0 HA ASN B 57 -5.092 1.826 -1.594 1.00 0.00 H new ATOM 0 HB2 ASN B 57 -7.394 3.474 -2.554 1.00 0.00 H new ATOM 0 HB3 ASN B 57 -7.196 1.922 -3.344 1.00 0.00 H new ATOM 0 HD21 ASN B 57 -9.262 2.761 -1.319 1.00 0.00 H new ATOM 0 HD22 ASN B 57 -9.095 1.570 -0.025 1.00 0.00 H new ATOM 720 N LEU B 58 -5.087 3.387 -4.531 1.00 0.00 N ATOM 721 CA LEU B 58 -4.555 3.354 -5.882 1.00 0.00 C ATOM 722 C LEU B 58 -4.810 4.702 -6.558 1.00 0.00 C ATOM 723 O LEU B 58 -3.883 5.333 -7.064 1.00 0.00 O ATOM 724 CB LEU B 58 -5.124 2.162 -6.654 1.00 0.00 C ATOM 725 CG LEU B 58 -4.451 0.812 -6.393 1.00 0.00 C ATOM 726 CD1 LEU B 58 -4.640 -0.132 -7.582 1.00 0.00 C ATOM 727 CD2 LEU B 58 -2.976 0.995 -6.033 1.00 0.00 C ATOM 0 H LEU B 58 -5.671 4.197 -4.322 1.00 0.00 H new ATOM 0 HA LEU B 58 -3.475 3.205 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -6.183 2.070 -6.413 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -5.057 2.379 -7.720 1.00 0.00 H new ATOM 0 HG LEU B 58 -4.935 0.348 -5.534 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -4.153 -1.084 -7.372 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -5.704 -0.298 -7.749 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -4.198 0.313 -8.474 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -2.522 0.021 -5.853 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -2.459 1.489 -6.856 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -2.894 1.606 -5.134 1.00 0.00 H new ATOM 728 N PRO B 59 -6.106 5.116 -6.546 1.00 0.00 N ATOM 729 CA PRO B 59 -7.143 4.308 -5.926 1.00 0.00 C ATOM 730 C PRO B 59 -7.499 3.106 -6.802 1.00 0.00 C ATOM 731 O PRO B 59 -7.163 3.074 -7.985 1.00 0.00 O ATOM 732 CB PRO B 59 -8.311 5.260 -5.719 1.00 0.00 C ATOM 733 CG PRO B 59 -8.060 6.437 -6.647 1.00 0.00 C ATOM 734 CD PRO B 59 -6.617 6.358 -7.119 1.00 0.00 C ATOM 0 HA PRO B 59 -6.827 3.873 -4.978 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -9.258 4.773 -5.953 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -8.369 5.587 -4.681 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -8.742 6.406 -7.497 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -8.241 7.378 -6.128 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -6.557 6.346 -8.207 1.00 0.00 H new ATOM 0 HD3 PRO B 59 -6.041 7.218 -6.777 1.00 0.00 H new ATOM 735 N ASN B 60 -8.175 2.146 -6.188 1.00 0.00 N ATOM 736 CA ASN B 60 -8.579 0.944 -6.896 1.00 0.00 C ATOM 737 C ASN B 60 -8.687 -0.217 -5.905 1.00 0.00 C ATOM 738 O ASN B 60 -9.737 -0.847 -5.793 1.00 0.00 O ATOM 739 CB ASN B 60 -7.552 0.561 -7.964 1.00 0.00 C ATOM 740 CG ASN B 60 -8.018 0.995 -9.354 1.00 0.00 C ATOM 741 OD1 ASN B 60 -9.160 0.810 -9.740 1.00 0.00 O ATOM 742 ND2 ASN B 60 -7.072 1.579 -10.084 1.00 0.00 N ATOM 0 H ASN B 60 -8.453 2.177 -5.207 1.00 0.00 H new ATOM 0 HA ASN B 60 -9.539 1.142 -7.374 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -6.594 1.028 -7.736 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -7.393 -0.517 -7.950 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -7.283 1.903 -11.028 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -6.135 1.703 -9.700 1.00 0.00 H new ATOM 743 N VAL B 61 -7.586 -0.464 -5.211 1.00 0.00 N ATOM 744 CA VAL B 61 -7.542 -1.537 -4.233 1.00 0.00 C ATOM 745 C VAL B 61 -8.882 -2.277 -4.234 1.00 0.00 C ATOM 746 O VAL B 61 -9.069 -3.229 -4.990 1.00 0.00 O ATOM 747 CB VAL B 61 -7.170 -0.978 -2.858 1.00 0.00 C ATOM 748 CG1 VAL B 61 -7.678 -1.889 -1.739 1.00 0.00 C ATOM 749 CG2 VAL B 61 -5.659 -0.762 -2.746 1.00 0.00 C ATOM 0 H VAL B 61 -6.717 0.061 -5.307 1.00 0.00 H new ATOM 0 HA VAL B 61 -6.770 -2.260 -4.495 1.00 0.00 H new ATOM 0 HB VAL B 61 -7.657 -0.009 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL B 61 -7.400 -1.468 -0.773 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -8.763 -1.970 -1.801 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -7.233 -2.878 -1.845 1.00 0.00 H new ATOM 0 HG21 VAL B 61 -5.420 -0.364 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL B 61 -5.144 -1.712 -2.888 1.00 0.00 H new ATOM 0 HG23 VAL B 61 -5.335 -0.056 -3.510 1.00 0.00 H new ATOM 750 N CYS B 62 -9.780 -1.809 -3.379 1.00 0.00 N ATOM 751 CA CYS B 62 -11.097 -2.415 -3.271 1.00 0.00 C ATOM 752 C CYS B 62 -12.078 -1.346 -2.785 1.00 0.00 C ATOM 753 O CYS B 62 -13.160 -1.668 -2.297 1.00 0.00 O ATOM 754 CB CYS B 62 -11.084 -3.638 -2.354 1.00 0.00 C ATOM 755 SG CYS B 62 -11.063 -5.249 -3.223 1.00 0.00 S ATOM 0 H CYS B 62 -9.622 -1.018 -2.755 1.00 0.00 H new ATOM 0 HA CYS B 62 -11.414 -2.780 -4.248 1.00 0.00 H new ATOM 0 HB2 CYS B 62 -10.210 -3.579 -1.706 1.00 0.00 H new ATOM 0 HB3 CYS B 62 -11.962 -3.600 -1.709 1.00 0.00 H new ATOM 756 N ASN B 63 -11.665 -0.096 -2.933 1.00 0.00 N ATOM 757 CA ASN B 63 -12.494 1.022 -2.515 1.00 0.00 C ATOM 758 C ASN B 63 -13.209 0.660 -1.213 1.00 0.00 C ATOM 759 O ASN B 63 -14.336 1.093 -0.979 1.00 0.00 O ATOM 760 CB ASN B 63 -13.557 1.343 -3.566 1.00 0.00 C ATOM 761 CG ASN B 63 -14.125 0.061 -4.180 1.00 0.00 C ATOM 762 OD1 ASN B 63 -14.928 -0.640 -3.586 1.00 0.00 O ATOM 763 ND2 ASN B 63 -13.667 -0.204 -5.400 1.00 0.00 N ATOM 0 H ASN B 63 -10.766 0.168 -3.337 1.00 0.00 H new ATOM 0 HA ASN B 63 -11.848 1.890 -2.380 1.00 0.00 H new ATOM 0 HB2 ASN B 63 -14.362 1.920 -3.110 1.00 0.00 H new ATOM 0 HB3 ASN B 63 -13.123 1.965 -4.349 1.00 0.00 H new ATOM 0 HD21 ASN B 63 -13.987 -1.036 -5.895 1.00 0.00 H new ATOM 0 HD22 ASN B 63 -12.995 0.425 -5.840 1.00 0.00 H new ATOM 764 N MET B 64 -12.526 -0.132 -0.398 1.00 0.00 N ATOM 765 CA MET B 64 -13.083 -0.556 0.874 1.00 0.00 C ATOM 766 C MET B 64 -13.132 0.606 1.867 1.00 0.00 C ATOM 767 O MET B 64 -12.292 0.703 2.759 1.00 0.00 O ATOM 768 CB MET B 64 -12.229 -1.686 1.453 1.00 0.00 C ATOM 769 CG MET B 64 -10.829 -1.186 1.814 1.00 0.00 C ATOM 770 SD MET B 64 -9.751 -2.571 2.139 1.00 0.00 S ATOM 771 CE MET B 64 -9.568 -3.217 0.486 1.00 0.00 C ATOM 0 H MET B 64 -11.592 -0.491 -0.595 1.00 0.00 H new ATOM 0 HA MET B 64 -14.101 -0.907 0.704 1.00 0.00 H new ATOM 0 HB2 MET B 64 -12.713 -2.094 2.340 1.00 0.00 H new ATOM 0 HB3 MET B 64 -12.154 -2.497 0.729 1.00 0.00 H new ATOM 0 HG2 MET B 64 -10.427 -0.585 0.998 1.00 0.00 H new ATOM 0 HG3 MET B 64 -10.879 -0.540 2.691 1.00 0.00 H new ATOM 0 HE1 MET B 64 -10.076 -4.179 0.413 1.00 0.00 H new ATOM 0 HE2 MET B 64 -10.006 -2.520 -0.228 1.00 0.00 H new ATOM 0 HE3 MET B 64 -8.509 -3.348 0.262 1.00 0.00 H new ATOM 772 N LYS B 65 -14.127 1.462 1.678 1.00 0.00 N ATOM 773 CA LYS B 65 -14.297 2.615 2.546 1.00 0.00 C ATOM 774 C LYS B 65 -14.581 2.137 3.972 1.00 0.00 C ATOM 775 O LYS B 65 -14.704 2.948 4.888 1.00 0.00 O ATOM 776 CB LYS B 65 -15.368 3.553 1.987 1.00 0.00 C ATOM 777 CG LYS B 65 -15.313 3.598 0.458 1.00 0.00 C ATOM 778 CD LYS B 65 -15.794 4.952 -0.068 1.00 0.00 C ATOM 779 CE LYS B 65 -17.227 5.239 0.383 1.00 0.00 C ATOM 780 NZ LYS B 65 -18.192 4.826 -0.662 1.00 0.00 N ATOM 0 H LYS B 65 -14.823 1.380 0.937 1.00 0.00 H new ATOM 0 HA LYS B 65 -13.380 3.203 2.583 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -16.354 3.218 2.309 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -15.224 4.556 2.389 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -14.293 3.415 0.122 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -15.933 2.802 0.045 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -15.132 5.741 0.289 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -15.743 4.962 -1.157 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -17.436 4.706 1.311 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -17.342 6.302 0.593 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -19.160 5.028 -0.340 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -18.002 5.353 -1.538 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -18.093 3.807 -0.843 1.00 0.00 H new ATOM 781 N GLN B 66 -14.679 0.824 4.113 1.00 0.00 N ATOM 782 CA GLN B 66 -14.947 0.228 5.411 1.00 0.00 C ATOM 783 C GLN B 66 -13.669 0.193 6.252 1.00 0.00 C ATOM 784 O GLN B 66 -13.714 0.395 7.464 1.00 0.00 O ATOM 785 CB GLN B 66 -15.543 -1.172 5.259 1.00 0.00 C ATOM 786 CG GLN B 66 -17.066 -1.136 5.387 1.00 0.00 C ATOM 787 CD GLN B 66 -17.581 -2.352 6.160 1.00 0.00 C ATOM 788 OE1 GLN B 66 -17.187 -3.483 5.926 1.00 0.00 O ATOM 789 NE2 GLN B 66 -18.481 -2.057 7.094 1.00 0.00 N ATOM 0 H GLN B 66 -14.578 0.155 3.350 1.00 0.00 H new ATOM 0 HA GLN B 66 -15.682 0.845 5.928 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -15.266 -1.586 4.290 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -15.126 -1.833 6.019 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -17.370 -0.222 5.896 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -17.517 -1.113 4.395 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -18.767 -1.089 7.239 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -18.885 -2.799 7.666 1.00 0.00 H new ATOM 790 N ILE B 67 -12.560 -0.067 5.575 1.00 0.00 N ATOM 791 CA ILE B 67 -11.272 -0.132 6.245 1.00 0.00 C ATOM 792 C ILE B 67 -10.521 1.183 6.026 1.00 0.00 C ATOM 793 O ILE B 67 -10.241 1.909 6.978 1.00 0.00 O ATOM 794 CB ILE B 67 -10.494 -1.368 5.791 1.00 0.00 C ATOM 795 CG1 ILE B 67 -10.215 -2.304 6.969 1.00 0.00 C ATOM 796 CG2 ILE B 67 -9.210 -0.970 5.060 1.00 0.00 C ATOM 797 CD1 ILE B 67 -11.518 -2.870 7.540 1.00 0.00 C ATOM 0 H ILE B 67 -12.527 -0.235 4.569 1.00 0.00 H new ATOM 0 HA ILE B 67 -11.407 -0.247 7.320 1.00 0.00 H new ATOM 0 HB ILE B 67 -11.112 -1.918 5.081 1.00 0.00 H new ATOM 0 HG12 ILE B 67 -9.571 -3.121 6.644 1.00 0.00 H new ATOM 0 HG13 ILE B 67 -9.677 -1.764 7.748 1.00 0.00 H new ATOM 0 HG21 ILE B 67 -8.676 -1.867 4.748 1.00 0.00 H new ATOM 0 HG22 ILE B 67 -9.461 -0.373 4.183 1.00 0.00 H new ATOM 0 HG23 ILE B 67 -8.578 -0.385 5.728 1.00 0.00 H new ATOM 0 HD11 ILE B 67 -11.292 -3.532 8.376 1.00 0.00 H new ATOM 0 HD12 ILE B 67 -12.149 -2.052 7.886 1.00 0.00 H new ATOM 0 HD13 ILE B 67 -12.042 -3.430 6.765 1.00 0.00 H new ATOM 798 N GLY B 68 -10.215 1.449 4.764 1.00 0.00 N ATOM 799 CA GLY B 68 -9.502 2.664 4.407 1.00 0.00 C ATOM 800 C GLY B 68 -8.569 2.423 3.218 1.00 0.00 C ATOM 801 O GLY B 68 -8.276 1.278 2.877 1.00 0.00 O ATOM 0 H GLY B 68 -10.448 0.844 3.977 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -10.216 3.450 4.160 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -8.924 3.015 5.262 1.00 0.00 H new ATOM 802 N THR B 69 -8.130 3.519 2.620 1.00 0.00 N ATOM 803 CA THR B 69 -7.237 3.442 1.477 1.00 0.00 C ATOM 804 C THR B 69 -5.784 3.328 1.942 1.00 0.00 C ATOM 805 O THR B 69 -5.276 4.213 2.627 1.00 0.00 O ATOM 806 CB THR B 69 -7.496 4.661 0.590 1.00 0.00 C ATOM 807 OG1 THR B 69 -7.480 4.137 -0.735 1.00 0.00 O ATOM 808 CG2 THR B 69 -6.336 5.659 0.611 1.00 0.00 C ATOM 0 H THR B 69 -8.376 4.467 2.906 1.00 0.00 H new ATOM 0 HA THR B 69 -7.428 2.546 0.887 1.00 0.00 H new ATOM 0 HB THR B 69 -8.409 5.159 0.917 1.00 0.00 H new ATOM 0 HG1 THR B 69 -7.900 4.778 -1.345 1.00 0.00 H new ATOM 0 HG21 THR B 69 -6.572 6.505 -0.035 1.00 0.00 H new ATOM 0 HG22 THR B 69 -6.179 6.013 1.630 1.00 0.00 H new ATOM 0 HG23 THR B 69 -5.430 5.171 0.253 1.00 0.00 H new ATOM 809 N CYS B 70 -5.155 2.229 1.550 1.00 0.00 N ATOM 810 CA CYS B 70 -3.771 1.986 1.918 1.00 0.00 C ATOM 811 C CYS B 70 -3.307 0.702 1.228 1.00 0.00 C ATOM 812 O CYS B 70 -4.063 -0.264 1.135 1.00 0.00 O ATOM 813 CB CYS B 70 -3.593 1.915 3.437 1.00 0.00 C ATOM 814 SG CYS B 70 -4.041 3.445 4.335 1.00 0.00 S ATOM 0 H CYS B 70 -5.579 1.497 0.981 1.00 0.00 H new ATOM 0 HA CYS B 70 -3.153 2.819 1.584 1.00 0.00 H new ATOM 0 HB2 CYS B 70 -4.199 1.094 3.822 1.00 0.00 H new ATOM 0 HB3 CYS B 70 -2.553 1.673 3.656 1.00 0.00 H new