USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1037 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 39 SER OG : rot 180:sc= -0.0845 USER MOD Set 1.2: B 40 SER OG : rot 180:sc= 0 USER MOD Set 2.1: B 23 TYR OH : rot -6:sc= -0.346 USER MOD Set 2.2: B 27 GLN : amide:sc= 0.961 X(o=2.5,f=2.2) USER MOD Set 2.3: B 64 SER OG : rot 80:sc= 1.89 USER MOD Set 3.1: B 17 ASN : amide:sc= -2.67! C(o=-2.5!,f=-7.3!) USER MOD Set 3.2: B 18 LYS NZ :NH3+ -178:sc= 0.128 (180deg=0) USER MOD Set 4.1: A 39 SER OG : rot 180:sc= -0.105 USER MOD Set 4.2: A 40 SER OG : rot 180:sc= 0.0149 USER MOD Set 5.1: A 23 TYR OH : rot -6:sc= -0.389 USER MOD Set 5.2: A 27 GLN : amide:sc= 0.974 K(o=2.5,f=1.9) USER MOD Set 5.3: A 64 SER OG : rot 81:sc= 1.88 USER MOD Set 6.1: A 17 ASN : amide:sc= -2.46! C(o=-2.3!,f=-7.1!) USER MOD Set 6.2: A 18 LYS NZ :NH3+ -178:sc= 0.148 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 1.15 K(o=1.2,f=-4.6!) USER MOD Single : A 32 GLN : amide:sc= -4.83! C(o=-4.8!,f=-7.7!) USER MOD Single : A 35 HIS : no HD1:sc=-0.00871 X(o=-0.0087,f=-0.0054) USER MOD Single : A 43 GLN : amide:sc= -5.67! C(o=-5.7!,f=-7!) USER MOD Single : A 45 SER OG : rot 77:sc= 1.23 USER MOD Single : A 51 GLN : amide:sc= 0.815 K(o=0.82,f=-1.3) USER MOD Single : A 52 CYS SG : rot 77:sc= 1.2 USER MOD Single : A 55 THR OG1 : rot 83:sc= 0.822 USER MOD Single : A 60 THR OG1 : rot 173:sc= -0.746 USER MOD Single : A 70 GLN : amide:sc= -3.12! C(o=-3.1!,f=-2.6!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 81 THR OG1 : rot -93:sc= 1.3 USER MOD Single : A 83 LYS NZ :NH3+ -146:sc= 1.82 (180deg=0.815) USER MOD Single : B 15 MET CE :methyl 177:sc= -0.601 (180deg=-0.749) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 HIS : no HD1:sc= 1.13 K(o=1.1,f=-4.4!) USER MOD Single : B 32 GLN : amide:sc= -4.79! C(o=-4.8!,f=-7.7!) USER MOD Single : B 35 HIS : no HD1:sc= -0.0462 X(o=-0.046,f=0) USER MOD Single : B 43 GLN : amide:sc= -5.63! C(o=-5.6!,f=-6.7!) USER MOD Single : B 45 SER OG : rot 76:sc= 1.27 USER MOD Single : B 51 GLN : amide:sc= 0.852 K(o=0.85,f=-1.2) USER MOD Single : B 52 CYS SG : rot 83:sc= 1.21 USER MOD Single : B 55 THR OG1 : rot 83:sc= 0.811 USER MOD Single : B 60 THR OG1 : rot 177:sc= -0.773 USER MOD Single : B 70 GLN : amide:sc= -2.92! C(o=-2.9!,f=-2.6!) USER MOD Single : B 71 THR OG1 : rot 180:sc= 0.188 USER MOD Single : B 81 THR OG1 : rot -95:sc= 1.29 USER MOD Single : B 83 LYS NZ :NH3+ -146:sc= 1.89 (180deg=0.634) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 16 13.839 5.273 -3.844 1.00 1.26 N ATOM 21 CA ASP A 16 12.648 4.497 -4.156 1.00 1.13 C ATOM 22 C ASP A 16 11.552 4.783 -3.147 1.00 0.92 C ATOM 23 O ASP A 16 11.587 4.285 -2.023 1.00 1.01 O ATOM 24 CB ASP A 16 12.958 2.998 -4.160 1.00 1.39 C ATOM 25 CG ASP A 16 13.883 2.593 -5.285 1.00 1.84 C ATOM 26 OD1 ASP A 16 15.115 2.704 -5.119 1.00 2.28 O ATOM 27 OD2 ASP A 16 13.380 2.169 -6.343 1.00 2.40 O ATOM 0 HA ASP A 16 12.310 4.789 -5.150 1.00 1.13 H new ATOM 0 HB2 ASP A 16 13.410 2.723 -3.207 1.00 1.39 H new ATOM 0 HB3 ASP A 16 12.026 2.439 -4.243 1.00 1.39 H new ATOM 32 N ASN A 17 10.572 5.580 -3.545 1.00 0.78 N ATOM 33 CA ASN A 17 9.461 5.912 -2.659 1.00 0.74 C ATOM 34 C ASN A 17 8.514 4.724 -2.522 1.00 0.61 C ATOM 35 O ASN A 17 7.588 4.751 -1.718 1.00 0.65 O ATOM 36 CB ASN A 17 8.694 7.148 -3.159 1.00 0.92 C ATOM 37 CG ASN A 17 7.905 6.899 -4.436 1.00 1.56 C ATOM 38 OD1 ASN A 17 8.260 6.057 -5.252 1.00 2.52 O ATOM 39 ND2 ASN A 17 6.829 7.642 -4.618 1.00 1.71 N ATOM 0 H ASN A 17 10.521 6.008 -4.470 1.00 0.78 H new ATOM 0 HA ASN A 17 9.877 6.148 -1.680 1.00 0.74 H new ATOM 0 HB2 ASN A 17 8.010 7.481 -2.378 1.00 0.92 H new ATOM 0 HB3 ASN A 17 9.401 7.959 -3.331 1.00 0.92 H new ATOM 0 HD21 ASN A 17 6.264 7.524 -5.459 1.00 1.71 H new ATOM 0 HD22 ASN A 17 6.563 8.334 -3.918 1.00 1.71 H new ATOM 46 N LYS A 18 8.768 3.675 -3.299 1.00 0.59 N ATOM 47 CA LYS A 18 7.931 2.483 -3.276 1.00 0.62 C ATOM 48 C LYS A 18 8.207 1.653 -2.026 1.00 0.53 C ATOM 49 O LYS A 18 7.287 1.301 -1.292 1.00 0.48 O ATOM 50 CB LYS A 18 8.148 1.620 -4.529 1.00 0.82 C ATOM 51 CG LYS A 18 7.583 2.211 -5.814 1.00 1.09 C ATOM 52 CD LYS A 18 8.473 3.303 -6.380 1.00 1.04 C ATOM 53 CE LYS A 18 7.832 3.971 -7.582 1.00 1.44 C ATOM 54 NZ LYS A 18 8.668 5.083 -8.103 1.00 1.90 N ATOM 0 H LYS A 18 9.549 3.628 -3.953 1.00 0.59 H new ATOM 0 HA LYS A 18 6.893 2.816 -3.262 1.00 0.62 H new ATOM 0 HB2 LYS A 18 9.218 1.456 -4.660 1.00 0.82 H new ATOM 0 HB3 LYS A 18 7.694 0.643 -4.364 1.00 0.82 H new ATOM 0 HG2 LYS A 18 7.465 1.420 -6.555 1.00 1.09 H new ATOM 0 HG3 LYS A 18 6.590 2.617 -5.620 1.00 1.09 H new ATOM 0 HD2 LYS A 18 8.671 4.049 -5.610 1.00 1.04 H new ATOM 0 HD3 LYS A 18 9.435 2.878 -6.668 1.00 1.04 H new ATOM 0 HE2 LYS A 18 7.677 3.233 -8.369 1.00 1.44 H new ATOM 0 HE3 LYS A 18 6.849 4.353 -7.305 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 8.182 5.537 -8.903 1.00 1.90 H new ATOM 0 HZ2 LYS A 18 8.824 5.783 -7.350 1.00 1.90 H new ATOM 0 HZ3 LYS A 18 9.584 4.708 -8.422 1.00 1.90 H new ATOM 68 N LYS A 19 9.479 1.349 -1.783 1.00 0.60 N ATOM 69 CA LYS A 19 9.864 0.556 -0.620 1.00 0.61 C ATOM 70 C LYS A 19 9.524 1.296 0.671 1.00 0.53 C ATOM 71 O LYS A 19 9.046 0.704 1.640 1.00 0.55 O ATOM 72 CB LYS A 19 11.359 0.209 -0.672 1.00 0.77 C ATOM 73 CG LYS A 19 12.275 1.415 -0.813 1.00 0.82 C ATOM 74 CD LYS A 19 13.743 1.015 -0.811 1.00 1.19 C ATOM 75 CE LYS A 19 14.205 0.548 0.564 1.00 1.06 C ATOM 76 NZ LYS A 19 15.634 0.136 0.558 1.00 1.49 N ATOM 0 H LYS A 19 10.258 1.639 -2.374 1.00 0.60 H new ATOM 0 HA LYS A 19 9.298 -0.376 -0.637 1.00 0.61 H new ATOM 0 HB2 LYS A 19 11.627 -0.332 0.236 1.00 0.77 H new ATOM 0 HB3 LYS A 19 11.535 -0.466 -1.509 1.00 0.77 H new ATOM 0 HG2 LYS A 19 12.043 1.941 -1.739 1.00 0.82 H new ATOM 0 HG3 LYS A 19 12.087 2.111 0.004 1.00 0.82 H new ATOM 0 HD2 LYS A 19 13.903 0.218 -1.537 1.00 1.19 H new ATOM 0 HD3 LYS A 19 14.350 1.862 -1.129 1.00 1.19 H new ATOM 0 HE2 LYS A 19 14.062 1.351 1.287 1.00 1.06 H new ATOM 0 HE3 LYS A 19 13.587 -0.289 0.890 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 15.910 -0.175 1.511 1.00 1.49 H new ATOM 0 HZ2 LYS A 19 15.767 -0.647 -0.113 1.00 1.49 H new ATOM 0 HZ3 LYS A 19 16.226 0.941 0.272 1.00 1.49 H new ATOM 90 N ARG A 20 9.753 2.599 0.659 1.00 0.54 N ATOM 91 CA ARG A 20 9.433 3.445 1.796 1.00 0.58 C ATOM 92 C ARG A 20 7.925 3.418 2.048 1.00 0.54 C ATOM 93 O ARG A 20 7.465 3.303 3.188 1.00 0.61 O ATOM 94 CB ARG A 20 9.924 4.871 1.524 1.00 0.70 C ATOM 95 CG ARG A 20 11.380 4.910 1.090 1.00 0.82 C ATOM 96 CD ARG A 20 11.969 6.307 1.099 1.00 1.01 C ATOM 97 NE ARG A 20 13.386 6.284 0.732 1.00 1.31 N ATOM 98 CZ ARG A 20 14.240 7.290 0.925 1.00 1.45 C ATOM 99 NH1 ARG A 20 13.819 8.444 1.422 1.00 1.32 N ATOM 100 NH2 ARG A 20 15.519 7.143 0.599 1.00 2.34 N ATOM 0 H ARG A 20 10.162 3.096 -0.132 1.00 0.54 H new ATOM 0 HA ARG A 20 9.934 3.073 2.690 1.00 0.58 H new ATOM 0 HB2 ARG A 20 9.305 5.324 0.750 1.00 0.70 H new ATOM 0 HB3 ARG A 20 9.800 5.473 2.424 1.00 0.70 H new ATOM 0 HG2 ARG A 20 11.966 4.271 1.750 1.00 0.82 H new ATOM 0 HG3 ARG A 20 11.464 4.494 0.086 1.00 0.82 H new ATOM 0 HD2 ARG A 20 11.420 6.941 0.403 1.00 1.01 H new ATOM 0 HD3 ARG A 20 11.854 6.747 2.089 1.00 1.01 H new ATOM 0 HE ARG A 20 13.747 5.435 0.296 1.00 1.31 H new ATOM 0 HH11 ARG A 20 12.835 8.568 1.660 1.00 1.32 H new ATOM 0 HH12 ARG A 20 14.479 9.208 1.566 1.00 1.32 H new ATOM 0 HH21 ARG A 20 15.846 6.262 0.202 1.00 2.34 H new ATOM 0 HH22 ARG A 20 16.174 7.911 0.746 1.00 2.34 H new ATOM 114 N LEU A 21 7.156 3.469 0.961 1.00 0.54 N ATOM 115 CA LEU A 21 5.706 3.441 1.060 1.00 0.59 C ATOM 116 C LEU A 21 5.249 2.131 1.690 1.00 0.57 C ATOM 117 O LEU A 21 4.301 2.101 2.470 1.00 0.64 O ATOM 118 CB LEU A 21 5.056 3.656 -0.324 1.00 0.64 C ATOM 119 CG LEU A 21 4.022 2.612 -0.801 1.00 0.61 C ATOM 120 CD1 LEU A 21 2.761 2.643 0.060 1.00 0.70 C ATOM 121 CD2 LEU A 21 3.646 2.880 -2.244 1.00 0.61 C ATOM 0 H LEU A 21 7.515 3.530 0.008 1.00 0.54 H new ATOM 0 HA LEU A 21 5.383 4.260 1.703 1.00 0.59 H new ATOM 0 HB2 LEU A 21 4.570 4.631 -0.318 1.00 0.64 H new ATOM 0 HB3 LEU A 21 5.853 3.702 -1.066 1.00 0.64 H new ATOM 0 HG LEU A 21 4.479 1.626 -0.711 1.00 0.61 H new ATOM 0 HD11 LEU A 21 2.054 1.896 -0.303 1.00 0.70 H new ATOM 0 HD12 LEU A 21 3.022 2.423 1.095 1.00 0.70 H new ATOM 0 HD13 LEU A 21 2.306 3.632 0.003 1.00 0.70 H new ATOM 0 HD21 LEU A 21 2.917 2.140 -2.573 1.00 0.61 H new ATOM 0 HD22 LEU A 21 3.214 3.877 -2.328 1.00 0.61 H new ATOM 0 HD23 LEU A 21 4.536 2.816 -2.870 1.00 0.61 H new ATOM 133 N ALA A 22 5.928 1.047 1.348 1.00 0.56 N ATOM 134 CA ALA A 22 5.596 -0.258 1.892 1.00 0.63 C ATOM 135 C ALA A 22 5.636 -0.236 3.408 1.00 0.51 C ATOM 136 O ALA A 22 4.893 -0.963 4.071 1.00 0.44 O ATOM 137 CB ALA A 22 6.548 -1.302 1.367 1.00 0.83 C ATOM 0 H ALA A 22 6.712 1.046 0.696 1.00 0.56 H new ATOM 0 HA ALA A 22 4.584 -0.510 1.576 1.00 0.63 H new ATOM 0 HB1 ALA A 22 6.287 -2.275 1.783 1.00 0.83 H new ATOM 0 HB2 ALA A 22 6.480 -1.342 0.280 1.00 0.83 H new ATOM 0 HB3 ALA A 22 7.567 -1.045 1.658 1.00 0.83 H new ATOM 143 N TYR A 23 6.504 0.602 3.954 1.00 0.62 N ATOM 144 CA TYR A 23 6.576 0.770 5.389 1.00 0.76 C ATOM 145 C TYR A 23 5.264 1.332 5.925 1.00 0.67 C ATOM 146 O TYR A 23 4.804 0.923 6.989 1.00 0.67 O ATOM 147 CB TYR A 23 7.737 1.676 5.781 1.00 1.11 C ATOM 148 CG TYR A 23 7.997 1.673 7.265 1.00 1.03 C ATOM 149 CD1 TYR A 23 8.110 0.470 7.950 1.00 1.86 C ATOM 150 CD2 TYR A 23 8.130 2.857 7.982 1.00 1.46 C ATOM 151 CE1 TYR A 23 8.346 0.444 9.303 1.00 2.48 C ATOM 152 CE2 TYR A 23 8.368 2.835 9.337 1.00 1.82 C ATOM 153 CZ TYR A 23 8.474 1.626 9.991 1.00 2.23 C ATOM 154 OH TYR A 23 8.716 1.597 11.340 1.00 2.99 O ATOM 0 H TYR A 23 7.164 1.172 3.424 1.00 0.62 H new ATOM 0 HA TYR A 23 6.748 -0.211 5.833 1.00 0.76 H new ATOM 0 HB2 TYR A 23 8.637 1.354 5.257 1.00 1.11 H new ATOM 0 HB3 TYR A 23 7.525 2.694 5.455 1.00 1.11 H new ATOM 0 HD1 TYR A 23 8.011 -0.460 7.410 1.00 1.86 H new ATOM 0 HD2 TYR A 23 8.046 3.804 7.470 1.00 1.46 H new ATOM 0 HE1 TYR A 23 8.430 -0.499 9.822 1.00 2.48 H new ATOM 0 HE2 TYR A 23 8.471 3.760 9.885 1.00 1.82 H new ATOM 0 HH TYR A 23 8.676 0.671 11.660 1.00 2.99 H new ATOM 164 N ALA A 24 4.664 2.264 5.186 1.00 0.72 N ATOM 165 CA ALA A 24 3.329 2.774 5.535 1.00 0.87 C ATOM 166 C ALA A 24 2.328 1.643 5.659 1.00 0.75 C ATOM 167 O ALA A 24 1.509 1.612 6.584 1.00 0.84 O ATOM 168 CB ALA A 24 2.816 3.751 4.491 1.00 1.14 C ATOM 0 H ALA A 24 5.072 2.681 4.349 1.00 0.72 H new ATOM 0 HA ALA A 24 3.432 3.285 6.492 1.00 0.87 H new ATOM 0 HB1 ALA A 24 1.828 4.108 4.781 1.00 1.14 H new ATOM 0 HB2 ALA A 24 3.500 4.597 4.417 1.00 1.14 H new ATOM 0 HB3 ALA A 24 2.752 3.251 3.525 1.00 1.14 H new ATOM 174 N ILE A 25 2.407 0.723 4.712 1.00 0.62 N ATOM 175 CA ILE A 25 1.480 -0.393 4.636 1.00 0.71 C ATOM 176 C ILE A 25 1.640 -1.266 5.868 1.00 0.61 C ATOM 177 O ILE A 25 0.674 -1.574 6.562 1.00 0.66 O ATOM 178 CB ILE A 25 1.724 -1.265 3.384 1.00 0.80 C ATOM 179 CG1 ILE A 25 1.924 -0.403 2.128 1.00 0.97 C ATOM 180 CG2 ILE A 25 0.562 -2.231 3.186 1.00 0.91 C ATOM 181 CD1 ILE A 25 0.695 0.364 1.685 1.00 0.89 C ATOM 0 H ILE A 25 3.114 0.729 3.976 1.00 0.62 H new ATOM 0 HA ILE A 25 0.474 0.021 4.576 1.00 0.71 H new ATOM 0 HB ILE A 25 2.640 -1.835 3.543 1.00 0.80 H new ATOM 0 HG12 ILE A 25 2.730 0.306 2.315 1.00 0.97 H new ATOM 0 HG13 ILE A 25 2.249 -1.046 1.310 1.00 0.97 H new ATOM 0 HG21 ILE A 25 0.743 -2.841 2.301 1.00 0.91 H new ATOM 0 HG22 ILE A 25 0.472 -2.876 4.060 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -0.362 -1.667 3.055 1.00 0.91 H new ATOM 0 HD11 ILE A 25 0.930 0.944 0.792 1.00 0.89 H new ATOM 0 HD12 ILE A 25 -0.110 -0.336 1.462 1.00 0.89 H new ATOM 0 HD13 ILE A 25 0.379 1.037 2.482 1.00 0.89 H new ATOM 193 N ILE A 26 2.882 -1.641 6.135 1.00 0.53 N ATOM 194 CA ILE A 26 3.207 -2.466 7.283 1.00 0.53 C ATOM 195 C ILE A 26 2.813 -1.772 8.580 1.00 0.51 C ATOM 196 O ILE A 26 2.111 -2.343 9.409 1.00 0.53 O ATOM 197 CB ILE A 26 4.712 -2.784 7.325 1.00 0.58 C ATOM 198 CG1 ILE A 26 5.140 -3.509 6.044 1.00 0.67 C ATOM 199 CG2 ILE A 26 5.030 -3.619 8.559 1.00 0.62 C ATOM 200 CD1 ILE A 26 6.638 -3.672 5.903 1.00 0.78 C ATOM 0 H ILE A 26 3.687 -1.383 5.564 1.00 0.53 H new ATOM 0 HA ILE A 26 2.645 -3.394 7.184 1.00 0.53 H new ATOM 0 HB ILE A 26 5.273 -1.852 7.386 1.00 0.58 H new ATOM 0 HG12 ILE A 26 4.674 -4.494 6.023 1.00 0.67 H new ATOM 0 HG13 ILE A 26 4.762 -2.958 5.183 1.00 0.67 H new ATOM 0 HG21 ILE A 26 6.097 -3.841 8.583 1.00 0.62 H new ATOM 0 HG22 ILE A 26 4.755 -3.063 9.455 1.00 0.62 H new ATOM 0 HG23 ILE A 26 4.466 -4.551 8.523 1.00 0.62 H new ATOM 0 HD11 ILE A 26 6.861 -4.194 4.972 1.00 0.78 H new ATOM 0 HD12 ILE A 26 7.111 -2.690 5.891 1.00 0.78 H new ATOM 0 HD13 ILE A 26 7.022 -4.250 6.744 1.00 0.78 H new ATOM 212 N GLN A 27 3.254 -0.530 8.727 1.00 0.54 N ATOM 213 CA GLN A 27 3.033 0.242 9.943 1.00 0.62 C ATOM 214 C GLN A 27 1.565 0.235 10.375 1.00 0.55 C ATOM 215 O GLN A 27 1.241 -0.230 11.466 1.00 0.57 O ATOM 216 CB GLN A 27 3.525 1.676 9.741 1.00 0.79 C ATOM 217 CG GLN A 27 4.922 1.924 10.288 1.00 0.89 C ATOM 218 CD GLN A 27 4.984 1.752 11.796 1.00 1.10 C ATOM 219 OE1 GLN A 27 4.004 1.992 12.502 1.00 1.58 O ATOM 220 NE2 GLN A 27 6.131 1.336 12.304 1.00 1.34 N ATOM 0 H GLN A 27 3.775 -0.029 8.007 1.00 0.54 H new ATOM 0 HA GLN A 27 3.602 -0.230 10.744 1.00 0.62 H new ATOM 0 HB2 GLN A 27 3.515 1.908 8.676 1.00 0.79 H new ATOM 0 HB3 GLN A 27 2.828 2.361 10.223 1.00 0.79 H new ATOM 0 HG2 GLN A 27 5.623 1.236 9.816 1.00 0.89 H new ATOM 0 HG3 GLN A 27 5.240 2.933 10.025 1.00 0.89 H new ATOM 0 HE21 GLN A 27 6.922 1.147 11.689 1.00 1.34 H new ATOM 0 HE22 GLN A 27 6.225 1.204 13.311 1.00 1.34 H new ATOM 229 N PHE A 28 0.677 0.720 9.516 1.00 0.52 N ATOM 230 CA PHE A 28 -0.733 0.825 9.881 1.00 0.51 C ATOM 231 C PHE A 28 -1.435 -0.510 9.788 1.00 0.43 C ATOM 232 O PHE A 28 -1.951 -1.016 10.776 1.00 0.42 O ATOM 233 CB PHE A 28 -1.468 1.822 8.989 1.00 0.60 C ATOM 234 CG PHE A 28 -2.954 1.866 9.243 1.00 0.90 C ATOM 235 CD1 PHE A 28 -3.452 2.381 10.430 1.00 1.62 C ATOM 236 CD2 PHE A 28 -3.851 1.391 8.296 1.00 1.60 C ATOM 237 CE1 PHE A 28 -4.813 2.421 10.667 1.00 1.95 C ATOM 238 CE2 PHE A 28 -5.211 1.430 8.530 1.00 1.98 C ATOM 239 CZ PHE A 28 -5.693 1.945 9.715 1.00 1.83 C ATOM 0 H PHE A 28 0.902 1.043 8.575 1.00 0.52 H new ATOM 0 HA PHE A 28 -0.756 1.173 10.914 1.00 0.51 H new ATOM 0 HB2 PHE A 28 -1.050 2.816 9.146 1.00 0.60 H new ATOM 0 HB3 PHE A 28 -1.292 1.563 7.945 1.00 0.60 H new ATOM 0 HD1 PHE A 28 -2.769 2.755 11.178 1.00 1.62 H new ATOM 0 HD2 PHE A 28 -3.481 0.986 7.366 1.00 1.60 H new ATOM 0 HE1 PHE A 28 -5.188 2.824 11.596 1.00 1.95 H new ATOM 0 HE2 PHE A 28 -5.898 1.057 7.785 1.00 1.98 H new ATOM 0 HZ PHE A 28 -6.757 1.976 9.898 1.00 1.83 H new ATOM 249 N LEU A 29 -1.468 -1.065 8.589 1.00 0.45 N ATOM 250 CA LEU A 29 -2.254 -2.263 8.321 1.00 0.45 C ATOM 251 C LEU A 29 -1.876 -3.434 9.235 1.00 0.45 C ATOM 252 O LEU A 29 -2.694 -4.319 9.462 1.00 0.48 O ATOM 253 CB LEU A 29 -2.157 -2.683 6.847 1.00 0.53 C ATOM 254 CG LEU A 29 -2.924 -1.809 5.844 1.00 0.59 C ATOM 255 CD1 LEU A 29 -2.197 -0.501 5.574 1.00 0.57 C ATOM 256 CD2 LEU A 29 -3.140 -2.571 4.547 1.00 0.70 C ATOM 0 H LEU A 29 -0.959 -0.706 7.781 1.00 0.45 H new ATOM 0 HA LEU A 29 -3.289 -2.000 8.540 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -1.105 -2.691 6.561 1.00 0.53 H new ATOM 0 HB3 LEU A 29 -2.520 -3.707 6.757 1.00 0.53 H new ATOM 0 HG LEU A 29 -3.892 -1.565 6.282 1.00 0.59 H new ATOM 0 HD11 LEU A 29 -2.768 0.092 4.860 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -2.091 0.055 6.505 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -1.210 -0.712 5.163 1.00 0.57 H new ATOM 0 HD21 LEU A 29 -3.685 -1.943 3.842 1.00 0.70 H new ATOM 0 HD22 LEU A 29 -2.175 -2.843 4.120 1.00 0.70 H new ATOM 0 HD23 LEU A 29 -3.716 -3.475 4.747 1.00 0.70 H new ATOM 268 N HIS A 30 -0.659 -3.453 9.770 1.00 0.47 N ATOM 269 CA HIS A 30 -0.267 -4.542 10.663 1.00 0.53 C ATOM 270 C HIS A 30 -0.651 -4.226 12.107 1.00 0.47 C ATOM 271 O HIS A 30 -1.079 -5.108 12.850 1.00 0.49 O ATOM 272 CB HIS A 30 1.230 -4.831 10.569 1.00 0.67 C ATOM 273 CG HIS A 30 1.564 -6.259 10.852 1.00 0.93 C ATOM 274 ND1 HIS A 30 2.320 -6.665 11.928 1.00 1.11 N ATOM 275 CD2 HIS A 30 1.236 -7.383 10.178 1.00 1.18 C ATOM 276 CE1 HIS A 30 2.440 -7.979 11.903 1.00 1.37 C ATOM 277 NE2 HIS A 30 1.789 -8.437 10.851 1.00 1.41 N ATOM 0 H HIS A 30 0.058 -2.746 9.608 1.00 0.47 H new ATOM 0 HA HIS A 30 -0.806 -5.434 10.344 1.00 0.53 H new ATOM 0 HB2 HIS A 30 1.583 -4.571 9.571 1.00 0.67 H new ATOM 0 HB3 HIS A 30 1.763 -4.192 11.273 1.00 0.67 H new ATOM 0 HD2 HIS A 30 0.646 -7.439 9.275 1.00 1.18 H new ATOM 0 HE1 HIS A 30 2.980 -8.578 12.622 1.00 1.37 H new ATOM 0 HE2 HIS A 30 1.711 -9.418 10.583 1.00 1.41 H new ATOM 286 N ASP A 31 -0.504 -2.965 12.496 1.00 0.48 N ATOM 287 CA ASP A 31 -0.901 -2.521 13.833 1.00 0.51 C ATOM 288 C ASP A 31 -2.418 -2.596 13.977 1.00 0.45 C ATOM 289 O ASP A 31 -2.949 -3.139 14.947 1.00 0.49 O ATOM 290 CB ASP A 31 -0.417 -1.089 14.077 1.00 0.63 C ATOM 291 CG ASP A 31 -0.893 -0.520 15.398 1.00 1.24 C ATOM 292 OD1 ASP A 31 -0.329 -0.889 16.450 1.00 1.98 O ATOM 293 OD2 ASP A 31 -1.831 0.308 15.388 1.00 1.79 O ATOM 0 H ASP A 31 -0.113 -2.230 11.907 1.00 0.48 H new ATOM 0 HA ASP A 31 -0.444 -3.176 14.575 1.00 0.51 H new ATOM 0 HB2 ASP A 31 0.673 -1.070 14.051 1.00 0.63 H new ATOM 0 HB3 ASP A 31 -0.766 -0.450 13.266 1.00 0.63 H new ATOM 298 N GLN A 32 -3.102 -2.061 12.977 1.00 0.42 N ATOM 299 CA GLN A 32 -4.552 -2.125 12.889 1.00 0.43 C ATOM 300 C GLN A 32 -5.024 -3.575 12.832 1.00 0.38 C ATOM 301 O GLN A 32 -6.108 -3.904 13.313 1.00 0.43 O ATOM 302 CB GLN A 32 -5.020 -1.325 11.657 1.00 0.52 C ATOM 303 CG GLN A 32 -6.382 -1.725 11.093 1.00 0.57 C ATOM 304 CD GLN A 32 -6.324 -2.948 10.187 1.00 1.17 C ATOM 305 OE1 GLN A 32 -7.275 -3.723 10.114 1.00 1.92 O ATOM 306 NE2 GLN A 32 -5.209 -3.131 9.493 1.00 1.31 N ATOM 0 H GLN A 32 -2.664 -1.567 12.199 1.00 0.42 H new ATOM 0 HA GLN A 32 -4.994 -1.680 13.781 1.00 0.43 H new ATOM 0 HB2 GLN A 32 -5.052 -0.268 11.922 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -4.274 -1.434 10.870 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -7.065 -1.925 11.919 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -6.796 -0.886 10.533 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -4.440 -2.467 9.579 1.00 1.31 H new ATOM 0 HE22 GLN A 32 -5.120 -3.936 8.873 1.00 1.31 H new ATOM 315 N LEU A 33 -4.197 -4.439 12.251 1.00 0.36 N ATOM 316 CA LEU A 33 -4.533 -5.851 12.107 1.00 0.42 C ATOM 317 C LEU A 33 -4.742 -6.485 13.476 1.00 0.46 C ATOM 318 O LEU A 33 -5.680 -7.255 13.679 1.00 0.54 O ATOM 319 CB LEU A 33 -3.417 -6.579 11.345 1.00 0.53 C ATOM 320 CG LEU A 33 -3.873 -7.651 10.351 1.00 0.80 C ATOM 321 CD1 LEU A 33 -4.464 -8.850 11.071 1.00 1.22 C ATOM 322 CD2 LEU A 33 -4.881 -7.063 9.376 1.00 0.83 C ATOM 0 H LEU A 33 -3.285 -4.184 11.871 1.00 0.36 H new ATOM 0 HA LEU A 33 -5.460 -5.939 11.541 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -2.829 -5.837 10.805 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -2.752 -7.045 12.072 1.00 0.53 H new ATOM 0 HG LEU A 33 -3.001 -7.994 9.794 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -4.779 -9.595 10.340 1.00 1.22 H new ATOM 0 HD12 LEU A 33 -3.713 -9.284 11.731 1.00 1.22 H new ATOM 0 HD13 LEU A 33 -5.325 -8.533 11.660 1.00 1.22 H new ATOM 0 HD21 LEU A 33 -5.199 -7.833 8.673 1.00 0.83 H new ATOM 0 HD22 LEU A 33 -5.747 -6.694 9.926 1.00 0.83 H new ATOM 0 HD23 LEU A 33 -4.421 -6.240 8.829 1.00 0.83 H new ATOM 334 N ARG A 34 -3.881 -6.134 14.418 1.00 0.47 N ATOM 335 CA ARG A 34 -3.974 -6.669 15.769 1.00 0.58 C ATOM 336 C ARG A 34 -5.122 -6.018 16.533 1.00 0.58 C ATOM 337 O ARG A 34 -5.640 -6.585 17.491 1.00 0.69 O ATOM 338 CB ARG A 34 -2.657 -6.459 16.522 1.00 0.69 C ATOM 339 CG ARG A 34 -1.455 -7.093 15.840 1.00 1.40 C ATOM 340 CD ARG A 34 -1.665 -8.580 15.592 1.00 1.45 C ATOM 341 NE ARG A 34 -0.511 -9.188 14.933 1.00 2.17 N ATOM 342 CZ ARG A 34 -0.583 -9.947 13.837 1.00 2.52 C ATOM 343 NH1 ARG A 34 -1.756 -10.223 13.279 1.00 2.19 N ATOM 344 NH2 ARG A 34 0.520 -10.445 13.300 1.00 3.49 N ATOM 0 H ARG A 34 -3.110 -5.482 14.273 1.00 0.47 H new ATOM 0 HA ARG A 34 -4.170 -7.739 15.695 1.00 0.58 H new ATOM 0 HB2 ARG A 34 -2.479 -5.389 16.633 1.00 0.69 H new ATOM 0 HB3 ARG A 34 -2.753 -6.872 17.526 1.00 0.69 H new ATOM 0 HG2 ARG A 34 -1.268 -6.589 14.892 1.00 1.40 H new ATOM 0 HG3 ARG A 34 -0.569 -6.949 16.458 1.00 1.40 H new ATOM 0 HD2 ARG A 34 -1.849 -9.084 16.541 1.00 1.45 H new ATOM 0 HD3 ARG A 34 -2.553 -8.724 14.976 1.00 1.45 H new ATOM 0 HE ARG A 34 0.411 -9.021 15.337 1.00 2.17 H new ATOM 0 HH11 ARG A 34 -2.615 -9.854 13.688 1.00 2.19 H new ATOM 0 HH12 ARG A 34 -1.798 -10.804 12.442 1.00 2.19 H new ATOM 0 HH21 ARG A 34 1.427 -10.249 13.724 1.00 3.49 H new ATOM 0 HH22 ARG A 34 0.463 -11.025 12.463 1.00 3.49 H new ATOM 358 N HIS A 35 -5.518 -4.827 16.099 1.00 0.53 N ATOM 359 CA HIS A 35 -6.595 -4.097 16.762 1.00 0.58 C ATOM 360 C HIS A 35 -7.964 -4.525 16.245 1.00 0.58 C ATOM 361 O HIS A 35 -8.944 -4.535 16.989 1.00 0.74 O ATOM 362 CB HIS A 35 -6.424 -2.587 16.586 1.00 0.59 C ATOM 363 CG HIS A 35 -5.269 -2.019 17.348 1.00 1.15 C ATOM 364 ND1 HIS A 35 -4.458 -1.023 16.855 1.00 1.98 N ATOM 365 CD2 HIS A 35 -4.801 -2.305 18.583 1.00 1.61 C ATOM 366 CE1 HIS A 35 -3.540 -0.723 17.755 1.00 2.68 C ATOM 367 NE2 HIS A 35 -3.727 -1.486 18.811 1.00 2.42 N ATOM 0 H HIS A 35 -5.113 -4.347 15.295 1.00 0.53 H new ATOM 0 HA HIS A 35 -6.538 -4.338 17.823 1.00 0.58 H new ATOM 0 HB2 HIS A 35 -6.293 -2.366 15.527 1.00 0.59 H new ATOM 0 HB3 HIS A 35 -7.339 -2.087 16.905 1.00 0.59 H new ATOM 0 HD2 HIS A 35 -5.200 -3.042 19.264 1.00 1.61 H new ATOM 0 HE1 HIS A 35 -2.766 0.022 17.644 1.00 2.68 H new ATOM 0 HE2 HIS A 35 -3.164 -1.470 19.661 1.00 2.42 H new ATOM 376 N GLY A 36 -8.026 -4.874 14.967 1.00 0.49 N ATOM 377 CA GLY A 36 -9.268 -5.342 14.388 1.00 0.51 C ATOM 378 C GLY A 36 -9.962 -4.284 13.555 1.00 0.47 C ATOM 379 O GLY A 36 -11.178 -4.117 13.647 1.00 0.53 O ATOM 0 H GLY A 36 -7.237 -4.841 14.321 1.00 0.49 H new ATOM 0 HA2 GLY A 36 -9.068 -6.214 13.766 1.00 0.51 H new ATOM 0 HA3 GLY A 36 -9.936 -5.666 15.186 1.00 0.51 H new ATOM 383 N GLY A 37 -9.193 -3.571 12.743 1.00 0.41 N ATOM 384 CA GLY A 37 -9.761 -2.522 11.915 1.00 0.40 C ATOM 385 C GLY A 37 -10.641 -3.065 10.805 1.00 0.39 C ATOM 386 O GLY A 37 -11.830 -2.751 10.735 1.00 0.52 O ATOM 0 H GLY A 37 -8.186 -3.699 12.642 1.00 0.41 H new ATOM 0 HA2 GLY A 37 -10.346 -1.848 12.540 1.00 0.40 H new ATOM 0 HA3 GLY A 37 -8.955 -1.932 11.479 1.00 0.40 H new ATOM 390 N LEU A 38 -10.060 -3.872 9.928 1.00 0.36 N ATOM 391 CA LEU A 38 -10.812 -4.473 8.833 1.00 0.41 C ATOM 392 C LEU A 38 -11.562 -5.719 9.305 1.00 0.49 C ATOM 393 O LEU A 38 -11.433 -6.128 10.460 1.00 0.83 O ATOM 394 CB LEU A 38 -9.895 -4.823 7.650 1.00 0.44 C ATOM 395 CG LEU A 38 -9.527 -3.666 6.705 1.00 0.44 C ATOM 396 CD1 LEU A 38 -10.775 -3.004 6.143 1.00 0.51 C ATOM 397 CD2 LEU A 38 -8.651 -2.638 7.403 1.00 0.47 C ATOM 0 H LEU A 38 -9.072 -4.126 9.952 1.00 0.36 H new ATOM 0 HA LEU A 38 -11.539 -3.736 8.494 1.00 0.41 H new ATOM 0 HB2 LEU A 38 -8.972 -5.247 8.046 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -10.378 -5.604 7.062 1.00 0.44 H new ATOM 0 HG LEU A 38 -8.958 -4.089 5.877 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -10.487 -2.190 5.478 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -11.357 -3.738 5.586 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -11.377 -2.609 6.961 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -8.409 -1.834 6.708 1.00 0.47 H new ATOM 0 HD22 LEU A 38 -9.184 -2.228 8.261 1.00 0.47 H new ATOM 0 HD23 LEU A 38 -7.731 -3.114 7.742 1.00 0.47 H new ATOM 409 N SER A 39 -12.349 -6.308 8.411 1.00 0.47 N ATOM 410 CA SER A 39 -13.146 -7.486 8.736 1.00 0.54 C ATOM 411 C SER A 39 -12.250 -8.696 9.023 1.00 0.48 C ATOM 412 O SER A 39 -11.053 -8.665 8.738 1.00 0.46 O ATOM 413 CB SER A 39 -14.117 -7.798 7.589 1.00 0.67 C ATOM 414 OG SER A 39 -14.973 -8.880 7.913 1.00 1.42 O ATOM 0 H SER A 39 -12.452 -5.986 7.449 1.00 0.47 H new ATOM 0 HA SER A 39 -13.720 -7.273 9.638 1.00 0.54 H new ATOM 0 HB2 SER A 39 -14.715 -6.914 7.366 1.00 0.67 H new ATOM 0 HB3 SER A 39 -13.552 -8.037 6.688 1.00 0.67 H new ATOM 0 HG SER A 39 -15.580 -9.053 7.163 1.00 1.42 H new ATOM 420 N SER A 40 -12.836 -9.753 9.572 1.00 0.60 N ATOM 421 CA SER A 40 -12.088 -10.939 9.980 1.00 0.61 C ATOM 422 C SER A 40 -11.253 -11.512 8.831 1.00 0.53 C ATOM 423 O SER A 40 -10.038 -11.689 8.963 1.00 0.50 O ATOM 424 CB SER A 40 -13.059 -11.991 10.518 1.00 0.77 C ATOM 425 OG SER A 40 -14.196 -12.103 9.676 1.00 1.63 O ATOM 0 H SER A 40 -13.839 -9.814 9.747 1.00 0.60 H new ATOM 0 HA SER A 40 -11.390 -10.649 10.766 1.00 0.61 H new ATOM 0 HB2 SER A 40 -12.556 -12.955 10.588 1.00 0.77 H new ATOM 0 HB3 SER A 40 -13.373 -11.721 11.527 1.00 0.77 H new ATOM 0 HG SER A 40 -14.804 -12.782 10.036 1.00 1.63 H new ATOM 431 N ASP A 41 -11.903 -11.781 7.703 1.00 0.57 N ATOM 432 CA ASP A 41 -11.220 -12.333 6.534 1.00 0.58 C ATOM 433 C ASP A 41 -10.211 -11.338 5.979 1.00 0.53 C ATOM 434 O ASP A 41 -9.123 -11.715 5.537 1.00 0.56 O ATOM 435 CB ASP A 41 -12.221 -12.704 5.441 1.00 0.71 C ATOM 436 CG ASP A 41 -13.154 -13.819 5.857 1.00 1.25 C ATOM 437 OD1 ASP A 41 -12.731 -14.993 5.840 1.00 1.69 O ATOM 438 OD2 ASP A 41 -14.320 -13.526 6.203 1.00 2.20 O ATOM 0 H ASP A 41 -12.903 -11.626 7.572 1.00 0.57 H new ATOM 0 HA ASP A 41 -10.696 -13.233 6.854 1.00 0.58 H new ATOM 0 HB2 ASP A 41 -12.808 -11.824 5.178 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -11.679 -13.005 4.545 1.00 0.71 H new ATOM 443 N ALA A 42 -10.580 -10.065 6.009 1.00 0.51 N ATOM 444 CA ALA A 42 -9.714 -9.000 5.531 1.00 0.51 C ATOM 445 C ALA A 42 -8.440 -8.933 6.363 1.00 0.47 C ATOM 446 O ALA A 42 -7.351 -8.739 5.827 1.00 0.52 O ATOM 447 CB ALA A 42 -10.449 -7.671 5.573 1.00 0.54 C ATOM 0 H ALA A 42 -11.481 -9.744 6.363 1.00 0.51 H new ATOM 0 HA ALA A 42 -9.436 -9.213 4.499 1.00 0.51 H new ATOM 0 HB1 ALA A 42 -9.791 -6.880 5.213 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -11.334 -7.724 4.938 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -10.750 -7.454 6.598 1.00 0.54 H new ATOM 453 N GLN A 43 -8.596 -9.108 7.670 1.00 0.44 N ATOM 454 CA GLN A 43 -7.473 -9.145 8.602 1.00 0.45 C ATOM 455 C GLN A 43 -6.419 -10.148 8.154 1.00 0.45 C ATOM 456 O GLN A 43 -5.292 -9.780 7.814 1.00 0.48 O ATOM 457 CB GLN A 43 -7.972 -9.525 9.993 1.00 0.49 C ATOM 458 CG GLN A 43 -8.644 -8.382 10.741 1.00 0.82 C ATOM 459 CD GLN A 43 -9.236 -8.813 12.071 1.00 0.85 C ATOM 460 OE1 GLN A 43 -9.325 -8.026 13.013 1.00 1.56 O ATOM 461 NE2 GLN A 43 -9.648 -10.068 12.165 1.00 1.12 N ATOM 0 H GLN A 43 -9.506 -9.229 8.115 1.00 0.44 H new ATOM 0 HA GLN A 43 -7.019 -8.154 8.626 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -8.677 -10.351 9.902 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -7.131 -9.888 10.584 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -7.916 -7.589 10.913 1.00 0.82 H new ATOM 0 HG3 GLN A 43 -9.433 -7.961 10.118 1.00 0.82 H new ATOM 0 HE21 GLN A 43 -9.560 -10.695 11.365 1.00 1.12 H new ATOM 0 HE22 GLN A 43 -10.053 -10.408 13.037 1.00 1.12 H new ATOM 470 N GLU A 44 -6.803 -11.415 8.164 1.00 0.49 N ATOM 471 CA GLU A 44 -5.938 -12.503 7.713 1.00 0.54 C ATOM 472 C GLU A 44 -5.310 -12.197 6.354 1.00 0.51 C ATOM 473 O GLU A 44 -4.141 -12.504 6.119 1.00 0.50 O ATOM 474 CB GLU A 44 -6.737 -13.804 7.626 1.00 0.68 C ATOM 475 CG GLU A 44 -7.322 -14.249 8.954 1.00 1.20 C ATOM 476 CD GLU A 44 -6.258 -14.508 9.998 1.00 1.65 C ATOM 477 OE1 GLU A 44 -5.560 -15.538 9.901 1.00 2.36 O ATOM 478 OE2 GLU A 44 -6.109 -13.679 10.920 1.00 2.20 O ATOM 0 H GLU A 44 -7.722 -11.722 8.484 1.00 0.49 H new ATOM 0 HA GLU A 44 -5.134 -12.610 8.441 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -7.546 -13.676 6.907 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -6.090 -14.593 7.241 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -8.007 -13.484 9.320 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -7.908 -15.156 8.804 1.00 1.20 H new ATOM 485 N SER A 45 -6.085 -11.579 5.473 1.00 0.54 N ATOM 486 CA SER A 45 -5.617 -11.252 4.134 1.00 0.59 C ATOM 487 C SER A 45 -4.519 -10.183 4.163 1.00 0.55 C ATOM 488 O SER A 45 -3.546 -10.269 3.412 1.00 0.58 O ATOM 489 CB SER A 45 -6.789 -10.787 3.272 1.00 0.71 C ATOM 490 OG SER A 45 -7.784 -11.794 3.181 1.00 1.04 O ATOM 0 H SER A 45 -7.045 -11.293 5.664 1.00 0.54 H new ATOM 0 HA SER A 45 -5.185 -12.154 3.700 1.00 0.59 H new ATOM 0 HB2 SER A 45 -7.221 -9.881 3.697 1.00 0.71 H new ATOM 0 HB3 SER A 45 -6.432 -10.532 2.274 1.00 0.71 H new ATOM 0 HG SER A 45 -8.305 -11.816 4.011 1.00 1.04 H new ATOM 496 N LEU A 46 -4.665 -9.183 5.034 1.00 0.56 N ATOM 497 CA LEU A 46 -3.659 -8.129 5.142 1.00 0.60 C ATOM 498 C LEU A 46 -2.360 -8.703 5.685 1.00 0.50 C ATOM 499 O LEU A 46 -1.282 -8.286 5.283 1.00 0.48 O ATOM 500 CB LEU A 46 -4.121 -6.982 6.049 1.00 0.74 C ATOM 501 CG LEU A 46 -5.458 -6.337 5.685 1.00 0.75 C ATOM 502 CD1 LEU A 46 -5.725 -5.122 6.557 1.00 1.28 C ATOM 503 CD2 LEU A 46 -5.491 -5.951 4.215 1.00 1.14 C ATOM 0 H LEU A 46 -5.459 -9.082 5.666 1.00 0.56 H new ATOM 0 HA LEU A 46 -3.504 -7.727 4.141 1.00 0.60 H new ATOM 0 HB2 LEU A 46 -4.187 -7.357 7.070 1.00 0.74 H new ATOM 0 HB3 LEU A 46 -3.353 -6.208 6.043 1.00 0.74 H new ATOM 0 HG LEU A 46 -6.244 -7.070 5.865 1.00 0.75 H new ATOM 0 HD11 LEU A 46 -6.682 -4.679 6.280 1.00 1.28 H new ATOM 0 HD12 LEU A 46 -5.754 -5.425 7.604 1.00 1.28 H new ATOM 0 HD13 LEU A 46 -4.931 -4.389 6.413 1.00 1.28 H new ATOM 0 HD21 LEU A 46 -6.452 -5.494 3.980 1.00 1.14 H new ATOM 0 HD22 LEU A 46 -4.691 -5.240 4.007 1.00 1.14 H new ATOM 0 HD23 LEU A 46 -5.353 -6.842 3.602 1.00 1.14 H new ATOM 515 N GLU A 47 -2.477 -9.661 6.597 1.00 0.49 N ATOM 516 CA GLU A 47 -1.312 -10.349 7.148 1.00 0.48 C ATOM 517 C GLU A 47 -0.473 -10.937 6.020 1.00 0.43 C ATOM 518 O GLU A 47 0.717 -10.644 5.896 1.00 0.45 O ATOM 519 CB GLU A 47 -1.759 -11.467 8.089 1.00 0.55 C ATOM 520 CG GLU A 47 -0.614 -12.192 8.785 1.00 0.81 C ATOM 521 CD GLU A 47 0.026 -11.372 9.890 1.00 1.06 C ATOM 522 OE1 GLU A 47 0.975 -10.611 9.610 1.00 1.76 O ATOM 523 OE2 GLU A 47 -0.417 -11.498 11.053 1.00 1.51 O ATOM 0 H GLU A 47 -3.370 -9.981 6.973 1.00 0.49 H new ATOM 0 HA GLU A 47 -0.712 -9.630 7.706 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -2.421 -11.047 8.846 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -2.342 -12.192 7.522 1.00 0.55 H new ATOM 0 HG2 GLU A 47 -0.985 -13.127 9.204 1.00 0.81 H new ATOM 0 HG3 GLU A 47 0.145 -12.452 8.047 1.00 0.81 H new ATOM 530 N VAL A 48 -1.123 -11.752 5.194 1.00 0.41 N ATOM 531 CA VAL A 48 -0.474 -12.373 4.040 1.00 0.42 C ATOM 532 C VAL A 48 0.210 -11.318 3.185 1.00 0.41 C ATOM 533 O VAL A 48 1.388 -11.438 2.841 1.00 0.43 O ATOM 534 CB VAL A 48 -1.483 -13.122 3.142 1.00 0.46 C ATOM 535 CG1 VAL A 48 -0.758 -13.959 2.100 1.00 0.49 C ATOM 536 CG2 VAL A 48 -2.421 -13.988 3.958 1.00 0.49 C ATOM 0 H VAL A 48 -2.106 -12.000 5.303 1.00 0.41 H new ATOM 0 HA VAL A 48 0.251 -13.083 4.437 1.00 0.42 H new ATOM 0 HB VAL A 48 -2.085 -12.371 2.630 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -1.488 -14.478 1.478 1.00 0.49 H new ATOM 0 HG12 VAL A 48 -0.145 -13.310 1.475 1.00 0.49 H new ATOM 0 HG13 VAL A 48 -0.121 -14.690 2.599 1.00 0.49 H new ATOM 0 HG21 VAL A 48 -3.116 -14.499 3.292 1.00 0.49 H new ATOM 0 HG22 VAL A 48 -1.843 -14.726 4.515 1.00 0.49 H new ATOM 0 HG23 VAL A 48 -2.979 -13.363 4.655 1.00 0.49 H new ATOM 546 N ALA A 49 -0.545 -10.278 2.862 1.00 0.41 N ATOM 547 CA ALA A 49 -0.068 -9.210 2.000 1.00 0.43 C ATOM 548 C ALA A 49 1.142 -8.509 2.594 1.00 0.43 C ATOM 549 O ALA A 49 2.164 -8.354 1.931 1.00 0.48 O ATOM 550 CB ALA A 49 -1.184 -8.210 1.744 1.00 0.44 C ATOM 0 H ALA A 49 -1.503 -10.152 3.190 1.00 0.41 H new ATOM 0 HA ALA A 49 0.240 -9.655 1.054 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -0.817 -7.413 1.097 1.00 0.44 H new ATOM 0 HB2 ALA A 49 -2.020 -8.714 1.260 1.00 0.44 H new ATOM 0 HB3 ALA A 49 -1.516 -7.785 2.691 1.00 0.44 H new ATOM 556 N ILE A 50 1.023 -8.112 3.847 1.00 0.40 N ATOM 557 CA ILE A 50 2.068 -7.369 4.530 1.00 0.40 C ATOM 558 C ILE A 50 3.359 -8.176 4.630 1.00 0.38 C ATOM 559 O ILE A 50 4.447 -7.641 4.409 1.00 0.41 O ATOM 560 CB ILE A 50 1.589 -6.936 5.930 1.00 0.43 C ATOM 561 CG1 ILE A 50 0.532 -5.840 5.793 1.00 0.53 C ATOM 562 CG2 ILE A 50 2.750 -6.459 6.791 1.00 0.47 C ATOM 563 CD1 ILE A 50 -0.058 -5.397 7.109 1.00 0.61 C ATOM 0 H ILE A 50 0.200 -8.295 4.421 1.00 0.40 H new ATOM 0 HA ILE A 50 2.284 -6.478 3.940 1.00 0.40 H new ATOM 0 HB ILE A 50 1.149 -7.800 6.428 1.00 0.43 H new ATOM 0 HG12 ILE A 50 0.978 -4.978 5.296 1.00 0.53 H new ATOM 0 HG13 ILE A 50 -0.270 -6.200 5.148 1.00 0.53 H new ATOM 0 HG21 ILE A 50 2.378 -6.161 7.771 1.00 0.47 H new ATOM 0 HG22 ILE A 50 3.473 -7.267 6.907 1.00 0.47 H new ATOM 0 HG23 ILE A 50 3.232 -5.607 6.312 1.00 0.47 H new ATOM 0 HD11 ILE A 50 -0.800 -4.618 6.931 1.00 0.61 H new ATOM 0 HD12 ILE A 50 -0.534 -6.247 7.599 1.00 0.61 H new ATOM 0 HD13 ILE A 50 0.733 -5.006 7.749 1.00 0.61 H new ATOM 575 N GLN A 51 3.240 -9.463 4.941 1.00 0.39 N ATOM 576 CA GLN A 51 4.413 -10.325 5.029 1.00 0.43 C ATOM 577 C GLN A 51 5.099 -10.431 3.671 1.00 0.43 C ATOM 578 O GLN A 51 6.331 -10.417 3.576 1.00 0.47 O ATOM 579 CB GLN A 51 4.034 -11.717 5.535 1.00 0.50 C ATOM 580 CG GLN A 51 3.440 -11.722 6.935 1.00 0.78 C ATOM 581 CD GLN A 51 4.306 -10.996 7.949 1.00 1.02 C ATOM 582 OE1 GLN A 51 5.533 -10.937 7.823 1.00 1.84 O ATOM 583 NE2 GLN A 51 3.670 -10.443 8.968 1.00 1.35 N ATOM 0 H GLN A 51 2.353 -9.928 5.134 1.00 0.39 H new ATOM 0 HA GLN A 51 5.106 -9.878 5.742 1.00 0.43 H new ATOM 0 HB2 GLN A 51 3.317 -12.161 4.845 1.00 0.50 H new ATOM 0 HB3 GLN A 51 4.921 -12.351 5.525 1.00 0.50 H new ATOM 0 HG2 GLN A 51 2.455 -11.257 6.907 1.00 0.78 H new ATOM 0 HG3 GLN A 51 3.297 -12.753 7.259 1.00 0.78 H new ATOM 0 HE21 GLN A 51 2.655 -10.515 9.035 1.00 1.35 H new ATOM 0 HE22 GLN A 51 4.195 -9.945 9.687 1.00 1.35 H new ATOM 592 N CYS A 52 4.294 -10.519 2.621 1.00 0.45 N ATOM 593 CA CYS A 52 4.814 -10.581 1.267 1.00 0.53 C ATOM 594 C CYS A 52 5.442 -9.247 0.872 1.00 0.53 C ATOM 595 O CYS A 52 6.515 -9.218 0.284 1.00 0.60 O ATOM 596 CB CYS A 52 3.703 -10.961 0.288 1.00 0.59 C ATOM 597 SG CYS A 52 2.956 -12.573 0.622 1.00 0.69 S ATOM 0 H CYS A 52 3.276 -10.549 2.684 1.00 0.45 H new ATOM 0 HA CYS A 52 5.587 -11.348 1.229 1.00 0.53 H new ATOM 0 HB2 CYS A 52 2.926 -10.197 0.320 1.00 0.59 H new ATOM 0 HB3 CYS A 52 4.108 -10.961 -0.724 1.00 0.59 H new ATOM 0 HG CYS A 52 2.150 -12.476 1.637 1.00 0.69 H new ATOM 603 N LEU A 53 4.779 -8.148 1.221 1.00 0.50 N ATOM 604 CA LEU A 53 5.274 -6.808 0.908 1.00 0.54 C ATOM 605 C LEU A 53 6.603 -6.536 1.602 1.00 0.51 C ATOM 606 O LEU A 53 7.547 -6.045 0.980 1.00 0.58 O ATOM 607 CB LEU A 53 4.250 -5.747 1.323 1.00 0.63 C ATOM 608 CG LEU A 53 2.926 -5.776 0.553 1.00 0.54 C ATOM 609 CD1 LEU A 53 1.960 -4.752 1.120 1.00 0.76 C ATOM 610 CD2 LEU A 53 3.154 -5.522 -0.928 1.00 0.61 C ATOM 0 H LEU A 53 3.892 -8.158 1.724 1.00 0.50 H new ATOM 0 HA LEU A 53 5.428 -6.756 -0.170 1.00 0.54 H new ATOM 0 HB2 LEU A 53 4.036 -5.868 2.385 1.00 0.63 H new ATOM 0 HB3 LEU A 53 4.701 -4.763 1.199 1.00 0.63 H new ATOM 0 HG LEU A 53 2.490 -6.769 0.666 1.00 0.54 H new ATOM 0 HD11 LEU A 53 1.025 -4.786 0.561 1.00 0.76 H new ATOM 0 HD12 LEU A 53 1.765 -4.977 2.168 1.00 0.76 H new ATOM 0 HD13 LEU A 53 2.396 -3.756 1.038 1.00 0.76 H new ATOM 0 HD21 LEU A 53 2.199 -5.548 -1.453 1.00 0.61 H new ATOM 0 HD22 LEU A 53 3.616 -4.544 -1.063 1.00 0.61 H new ATOM 0 HD23 LEU A 53 3.811 -6.292 -1.332 1.00 0.61 H new ATOM 622 N GLU A 54 6.668 -6.867 2.887 1.00 0.47 N ATOM 623 CA GLU A 54 7.882 -6.682 3.677 1.00 0.51 C ATOM 624 C GLU A 54 9.055 -7.401 3.020 1.00 0.56 C ATOM 625 O GLU A 54 10.143 -6.845 2.884 1.00 0.65 O ATOM 626 CB GLU A 54 7.670 -7.225 5.093 1.00 0.56 C ATOM 627 CG GLU A 54 8.838 -6.975 6.042 1.00 0.73 C ATOM 628 CD GLU A 54 8.776 -7.854 7.273 1.00 1.05 C ATOM 629 OE1 GLU A 54 8.104 -7.474 8.253 1.00 1.62 O ATOM 630 OE2 GLU A 54 9.389 -8.941 7.260 1.00 1.65 O ATOM 0 H GLU A 54 5.888 -7.268 3.408 1.00 0.47 H new ATOM 0 HA GLU A 54 8.106 -5.617 3.730 1.00 0.51 H new ATOM 0 HB2 GLU A 54 6.772 -6.771 5.513 1.00 0.56 H new ATOM 0 HB3 GLU A 54 7.488 -8.298 5.035 1.00 0.56 H new ATOM 0 HG2 GLU A 54 9.776 -7.155 5.516 1.00 0.73 H new ATOM 0 HG3 GLU A 54 8.839 -5.928 6.345 1.00 0.73 H new ATOM 637 N THR A 55 8.811 -8.632 2.598 1.00 0.61 N ATOM 638 CA THR A 55 9.838 -9.446 1.970 1.00 0.78 C ATOM 639 C THR A 55 10.111 -8.982 0.535 1.00 0.83 C ATOM 640 O THR A 55 11.252 -9.011 0.066 1.00 0.98 O ATOM 641 CB THR A 55 9.421 -10.929 1.971 1.00 0.95 C ATOM 642 OG1 THR A 55 9.047 -11.324 3.303 1.00 1.00 O ATOM 643 CG2 THR A 55 10.550 -11.819 1.477 1.00 1.16 C ATOM 0 H THR A 55 7.904 -9.091 2.680 1.00 0.61 H new ATOM 0 HA THR A 55 10.755 -9.332 2.548 1.00 0.78 H new ATOM 0 HB THR A 55 8.573 -11.045 1.296 1.00 0.95 H new ATOM 0 HG1 THR A 55 8.118 -11.061 3.474 1.00 1.00 H new ATOM 0 HG21 THR A 55 10.225 -12.859 1.489 1.00 1.16 H new ATOM 0 HG22 THR A 55 10.819 -11.535 0.460 1.00 1.16 H new ATOM 0 HG23 THR A 55 11.417 -11.702 2.127 1.00 1.16 H new ATOM 651 N ALA A 56 9.060 -8.537 -0.148 1.00 0.77 N ATOM 652 CA ALA A 56 9.165 -8.072 -1.526 1.00 0.88 C ATOM 653 C ALA A 56 10.064 -6.849 -1.628 1.00 0.88 C ATOM 654 O ALA A 56 11.041 -6.838 -2.378 1.00 1.15 O ATOM 655 CB ALA A 56 7.789 -7.744 -2.079 1.00 0.90 C ATOM 0 H ALA A 56 8.116 -8.489 0.237 1.00 0.77 H new ATOM 0 HA ALA A 56 9.608 -8.875 -2.115 1.00 0.88 H new ATOM 0 HB1 ALA A 56 7.884 -7.398 -3.108 1.00 0.90 H new ATOM 0 HB2 ALA A 56 7.164 -8.636 -2.052 1.00 0.90 H new ATOM 0 HB3 ALA A 56 7.331 -6.962 -1.474 1.00 0.90 H new ATOM 661 N PHE A 57 9.726 -5.820 -0.868 1.00 0.76 N ATOM 662 CA PHE A 57 10.481 -4.588 -0.884 1.00 1.05 C ATOM 663 C PHE A 57 11.772 -4.729 -0.087 1.00 1.56 C ATOM 664 O PHE A 57 12.756 -4.043 -0.351 1.00 2.05 O ATOM 665 CB PHE A 57 9.650 -3.456 -0.297 1.00 1.04 C ATOM 666 CG PHE A 57 8.465 -3.032 -1.121 1.00 0.93 C ATOM 667 CD1 PHE A 57 8.619 -2.139 -2.166 1.00 1.50 C ATOM 668 CD2 PHE A 57 7.190 -3.481 -0.813 1.00 1.47 C ATOM 669 CE1 PHE A 57 7.527 -1.706 -2.892 1.00 1.50 C ATOM 670 CE2 PHE A 57 6.092 -3.039 -1.528 1.00 1.46 C ATOM 671 CZ PHE A 57 6.262 -2.151 -2.570 1.00 0.92 C ATOM 0 H PHE A 57 8.929 -5.819 -0.231 1.00 0.76 H new ATOM 0 HA PHE A 57 10.730 -4.361 -1.921 1.00 1.05 H new ATOM 0 HB2 PHE A 57 9.296 -3.761 0.688 1.00 1.04 H new ATOM 0 HB3 PHE A 57 10.297 -2.591 -0.150 1.00 1.04 H new ATOM 0 HD1 PHE A 57 9.605 -1.776 -2.417 1.00 1.50 H new ATOM 0 HD2 PHE A 57 7.053 -4.184 -0.005 1.00 1.47 H new ATOM 0 HE1 PHE A 57 7.664 -1.018 -3.713 1.00 1.50 H new ATOM 0 HE2 PHE A 57 5.103 -3.388 -1.271 1.00 1.46 H new ATOM 0 HZ PHE A 57 5.407 -1.805 -3.132 1.00 0.92 H new ATOM 681 N GLY A 58 11.752 -5.623 0.895 1.00 1.71 N ATOM 682 CA GLY A 58 12.895 -5.802 1.767 1.00 2.29 C ATOM 683 C GLY A 58 13.044 -4.649 2.735 1.00 2.05 C ATOM 684 O GLY A 58 14.152 -4.168 2.977 1.00 2.60 O ATOM 0 H GLY A 58 10.959 -6.230 1.103 1.00 1.71 H new ATOM 0 HA2 GLY A 58 12.786 -6.733 2.323 1.00 2.29 H new ATOM 0 HA3 GLY A 58 13.800 -5.893 1.167 1.00 2.29 H new ATOM 688 N VAL A 59 11.924 -4.202 3.289 1.00 1.35 N ATOM 689 CA VAL A 59 11.914 -3.029 4.154 1.00 1.13 C ATOM 690 C VAL A 59 11.566 -3.391 5.586 1.00 1.04 C ATOM 691 O VAL A 59 10.878 -4.379 5.839 1.00 1.22 O ATOM 692 CB VAL A 59 10.923 -1.962 3.653 1.00 0.93 C ATOM 693 CG1 VAL A 59 11.385 -1.404 2.325 1.00 1.23 C ATOM 694 CG2 VAL A 59 9.517 -2.530 3.530 1.00 1.00 C ATOM 0 H VAL A 59 11.010 -4.634 3.155 1.00 1.35 H new ATOM 0 HA VAL A 59 12.924 -2.620 4.125 1.00 1.13 H new ATOM 0 HB VAL A 59 10.894 -1.155 4.386 1.00 0.93 H new ATOM 0 HG11 VAL A 59 10.677 -0.651 1.981 1.00 1.23 H new ATOM 0 HG12 VAL A 59 12.369 -0.950 2.444 1.00 1.23 H new ATOM 0 HG13 VAL A 59 11.443 -2.209 1.592 1.00 1.23 H new ATOM 0 HG21 VAL A 59 8.840 -1.753 3.174 1.00 1.00 H new ATOM 0 HG22 VAL A 59 9.520 -3.360 2.823 1.00 1.00 H new ATOM 0 HG23 VAL A 59 9.181 -2.885 4.504 1.00 1.00 H new ATOM 704 N THR A 60 12.045 -2.579 6.518 1.00 1.18 N ATOM 705 CA THR A 60 11.802 -2.801 7.932 1.00 1.30 C ATOM 706 C THR A 60 11.587 -1.467 8.658 1.00 1.16 C ATOM 707 O THR A 60 11.438 -0.426 8.013 1.00 1.15 O ATOM 708 CB THR A 60 12.977 -3.560 8.585 1.00 1.94 C ATOM 709 OG1 THR A 60 14.211 -2.886 8.302 1.00 2.24 O ATOM 710 CG2 THR A 60 13.057 -4.998 8.091 1.00 2.38 C ATOM 0 H THR A 60 12.609 -1.754 6.315 1.00 1.18 H new ATOM 0 HA THR A 60 10.901 -3.408 8.021 1.00 1.30 H new ATOM 0 HB THR A 60 12.804 -3.580 9.661 1.00 1.94 H new ATOM 0 HG1 THR A 60 14.937 -3.305 8.810 1.00 2.24 H new ATOM 0 HG21 THR A 60 13.896 -5.502 8.572 1.00 2.38 H new ATOM 0 HG22 THR A 60 12.132 -5.519 8.336 1.00 2.38 H new ATOM 0 HG23 THR A 60 13.201 -5.004 7.011 1.00 2.38 H new ATOM 718 N VAL A 61 11.594 -1.492 9.991 1.00 1.41 N ATOM 719 CA VAL A 61 11.412 -0.284 10.812 1.00 1.59 C ATOM 720 C VAL A 61 12.516 0.769 10.552 1.00 1.83 C ATOM 721 O VAL A 61 12.415 1.939 10.958 1.00 2.11 O ATOM 722 CB VAL A 61 11.370 -0.670 12.312 1.00 1.81 C ATOM 723 CG1 VAL A 61 12.684 -1.300 12.745 1.00 2.21 C ATOM 724 CG2 VAL A 61 11.029 0.524 13.190 1.00 1.95 C ATOM 0 H VAL A 61 11.725 -2.345 10.535 1.00 1.41 H new ATOM 0 HA VAL A 61 10.464 0.172 10.528 1.00 1.59 H new ATOM 0 HB VAL A 61 10.577 -1.407 12.438 1.00 1.81 H new ATOM 0 HG11 VAL A 61 12.631 -1.563 13.802 1.00 2.21 H new ATOM 0 HG12 VAL A 61 12.868 -2.199 12.156 1.00 2.21 H new ATOM 0 HG13 VAL A 61 13.497 -0.591 12.588 1.00 2.21 H new ATOM 0 HG21 VAL A 61 11.009 0.214 14.235 1.00 1.95 H new ATOM 0 HG22 VAL A 61 11.782 1.301 13.057 1.00 1.95 H new ATOM 0 HG23 VAL A 61 10.051 0.915 12.909 1.00 1.95 H new ATOM 734 N GLU A 62 13.557 0.362 9.836 1.00 1.89 N ATOM 735 CA GLU A 62 14.625 1.275 9.449 1.00 2.16 C ATOM 736 C GLU A 62 14.063 2.464 8.663 1.00 1.64 C ATOM 737 O GLU A 62 14.665 3.539 8.617 1.00 1.65 O ATOM 738 CB GLU A 62 15.666 0.535 8.608 1.00 2.87 C ATOM 739 CG GLU A 62 16.259 -0.683 9.297 1.00 3.13 C ATOM 740 CD GLU A 62 16.954 -0.345 10.597 1.00 3.57 C ATOM 741 OE1 GLU A 62 18.113 0.112 10.551 1.00 4.01 O ATOM 742 OE2 GLU A 62 16.347 -0.544 11.669 1.00 3.98 O ATOM 0 H GLU A 62 13.684 -0.596 9.511 1.00 1.89 H new ATOM 0 HA GLU A 62 15.100 1.654 10.354 1.00 2.16 H new ATOM 0 HB2 GLU A 62 15.206 0.222 7.670 1.00 2.87 H new ATOM 0 HB3 GLU A 62 16.471 1.225 8.354 1.00 2.87 H new ATOM 0 HG2 GLU A 62 15.466 -1.405 9.492 1.00 3.13 H new ATOM 0 HG3 GLU A 62 16.970 -1.164 8.625 1.00 3.13 H new ATOM 749 N ASP A 63 12.896 2.271 8.056 1.00 1.38 N ATOM 750 CA ASP A 63 12.246 3.342 7.316 1.00 1.61 C ATOM 751 C ASP A 63 11.748 4.430 8.269 1.00 1.60 C ATOM 752 O ASP A 63 11.646 5.588 7.889 1.00 1.95 O ATOM 753 CB ASP A 63 11.092 2.808 6.474 1.00 1.89 C ATOM 754 CG ASP A 63 10.599 3.826 5.461 1.00 2.88 C ATOM 755 OD1 ASP A 63 9.715 4.641 5.804 1.00 3.62 O ATOM 756 OD2 ASP A 63 11.106 3.807 4.317 1.00 3.35 O ATOM 0 H ASP A 63 12.385 1.388 8.063 1.00 1.38 H new ATOM 0 HA ASP A 63 12.984 3.778 6.643 1.00 1.61 H new ATOM 0 HB2 ASP A 63 11.412 1.906 5.953 1.00 1.89 H new ATOM 0 HB3 ASP A 63 10.269 2.522 7.129 1.00 1.89 H new ATOM 761 N SER A 64 11.460 4.057 9.518 1.00 1.54 N ATOM 762 CA SER A 64 11.110 5.038 10.541 1.00 1.81 C ATOM 763 C SER A 64 12.299 5.934 10.827 1.00 1.74 C ATOM 764 O SER A 64 12.138 7.114 11.146 1.00 1.93 O ATOM 765 CB SER A 64 10.651 4.368 11.840 1.00 2.41 C ATOM 766 OG SER A 64 9.261 4.104 11.821 1.00 2.91 O ATOM 0 H SER A 64 11.463 3.090 9.841 1.00 1.54 H new ATOM 0 HA SER A 64 10.281 5.631 10.156 1.00 1.81 H new ATOM 0 HB2 SER A 64 11.198 3.436 11.984 1.00 2.41 H new ATOM 0 HB3 SER A 64 10.889 5.011 12.687 1.00 2.41 H new ATOM 0 HG SER A 64 9.092 3.279 11.320 1.00 2.91 H new ATOM 772 N ASP A 65 13.496 5.371 10.716 1.00 1.69 N ATOM 773 CA ASP A 65 14.714 6.171 10.869 1.00 2.03 C ATOM 774 C ASP A 65 14.788 7.254 9.795 1.00 1.90 C ATOM 775 O ASP A 65 15.311 8.344 10.033 1.00 2.28 O ATOM 776 CB ASP A 65 15.974 5.306 10.816 1.00 2.26 C ATOM 777 CG ASP A 65 16.140 4.433 12.038 1.00 2.89 C ATOM 778 OD1 ASP A 65 15.974 4.939 13.168 1.00 3.35 O ATOM 779 OD2 ASP A 65 16.459 3.238 11.878 1.00 3.46 O ATOM 0 H ASP A 65 13.653 4.382 10.524 1.00 1.69 H new ATOM 0 HA ASP A 65 14.666 6.640 11.852 1.00 2.03 H new ATOM 0 HB2 ASP A 65 15.939 4.676 9.927 1.00 2.26 H new ATOM 0 HB3 ASP A 65 16.847 5.951 10.715 1.00 2.26 H new ATOM 784 N LEU A 66 14.259 6.953 8.616 1.00 1.52 N ATOM 785 CA LEU A 66 14.203 7.934 7.534 1.00 1.61 C ATOM 786 C LEU A 66 12.764 8.383 7.273 1.00 1.45 C ATOM 787 O LEU A 66 12.449 8.792 6.162 1.00 1.72 O ATOM 788 CB LEU A 66 14.842 7.365 6.246 1.00 1.77 C ATOM 789 CG LEU A 66 14.323 6.004 5.756 1.00 1.59 C ATOM 790 CD1 LEU A 66 13.123 6.169 4.834 1.00 1.87 C ATOM 791 CD2 LEU A 66 15.424 5.239 5.042 1.00 1.57 C ATOM 0 H LEU A 66 13.864 6.042 8.383 1.00 1.52 H new ATOM 0 HA LEU A 66 14.776 8.808 7.843 1.00 1.61 H new ATOM 0 HB2 LEU A 66 14.698 8.091 5.446 1.00 1.77 H new ATOM 0 HB3 LEU A 66 15.916 7.280 6.409 1.00 1.77 H new ATOM 0 HG LEU A 66 14.006 5.437 6.631 1.00 1.59 H new ATOM 0 HD11 LEU A 66 12.780 5.188 4.505 1.00 1.87 H new ATOM 0 HD12 LEU A 66 12.319 6.674 5.370 1.00 1.87 H new ATOM 0 HD13 LEU A 66 13.410 6.763 3.966 1.00 1.87 H new ATOM 0 HD21 LEU A 66 15.038 4.278 4.702 1.00 1.57 H new ATOM 0 HD22 LEU A 66 15.770 5.815 4.184 1.00 1.57 H new ATOM 0 HD23 LEU A 66 16.256 5.074 5.727 1.00 1.57 H new ATOM 803 N ALA A 67 11.936 8.372 8.335 1.00 1.30 N ATOM 804 CA ALA A 67 10.468 8.465 8.226 1.00 1.26 C ATOM 805 C ALA A 67 9.976 9.263 7.023 1.00 1.27 C ATOM 806 O ALA A 67 10.080 10.492 6.941 1.00 1.53 O ATOM 807 CB ALA A 67 9.842 8.956 9.513 1.00 1.48 C ATOM 0 H ALA A 67 12.268 8.298 9.297 1.00 1.30 H new ATOM 0 HA ALA A 67 10.131 7.444 8.049 1.00 1.26 H new ATOM 0 HB1 ALA A 67 8.760 9.011 9.393 1.00 1.48 H new ATOM 0 HB2 ALA A 67 10.083 8.266 10.321 1.00 1.48 H new ATOM 0 HB3 ALA A 67 10.232 9.945 9.753 1.00 1.48 H new ATOM 813 N LEU A 68 9.414 8.488 6.122 1.00 1.15 N ATOM 814 CA LEU A 68 9.032 8.883 4.786 1.00 1.28 C ATOM 815 C LEU A 68 7.559 8.501 4.593 1.00 1.55 C ATOM 816 O LEU A 68 6.777 8.729 5.500 1.00 1.55 O ATOM 817 CB LEU A 68 9.969 8.111 3.844 1.00 1.24 C ATOM 818 CG LEU A 68 10.987 8.948 3.073 1.00 1.18 C ATOM 819 CD1 LEU A 68 10.442 9.271 1.714 1.00 1.20 C ATOM 820 CD2 LEU A 68 11.285 10.238 3.794 1.00 1.18 C ATOM 0 H LEU A 68 9.200 7.509 6.314 1.00 1.15 H new ATOM 0 HA LEU A 68 9.122 9.952 4.592 1.00 1.28 H new ATOM 0 HB2 LEU A 68 10.510 7.369 4.431 1.00 1.24 H new ATOM 0 HB3 LEU A 68 9.358 7.565 3.125 1.00 1.24 H new ATOM 0 HG LEU A 68 11.907 8.370 2.988 1.00 1.18 H new ATOM 0 HD11 LEU A 68 11.168 9.869 1.163 1.00 1.20 H new ATOM 0 HD12 LEU A 68 10.247 8.346 1.171 1.00 1.20 H new ATOM 0 HD13 LEU A 68 9.514 9.833 1.818 1.00 1.20 H new ATOM 0 HD21 LEU A 68 12.013 10.814 3.223 1.00 1.18 H new ATOM 0 HD22 LEU A 68 10.367 10.816 3.900 1.00 1.18 H new ATOM 0 HD23 LEU A 68 11.691 10.018 4.781 1.00 1.18 H new ATOM 832 N PRO A 69 7.122 8.059 3.398 1.00 1.93 N ATOM 833 CA PRO A 69 6.055 7.071 3.170 1.00 2.35 C ATOM 834 C PRO A 69 5.918 5.960 4.230 1.00 2.24 C ATOM 835 O PRO A 69 5.417 4.880 3.944 1.00 2.61 O ATOM 836 CB PRO A 69 6.477 6.475 1.816 1.00 2.74 C ATOM 837 CG PRO A 69 7.564 7.369 1.313 1.00 2.56 C ATOM 838 CD PRO A 69 7.450 8.612 2.126 1.00 2.06 C ATOM 0 HA PRO A 69 5.073 7.542 3.211 1.00 2.35 H new ATOM 0 HB2 PRO A 69 6.832 5.451 1.931 1.00 2.74 H new ATOM 0 HB3 PRO A 69 5.638 6.446 1.120 1.00 2.74 H new ATOM 0 HG2 PRO A 69 8.543 6.906 1.435 1.00 2.56 H new ATOM 0 HG3 PRO A 69 7.441 7.580 0.251 1.00 2.56 H new ATOM 0 HD2 PRO A 69 8.380 9.180 2.148 1.00 2.06 H new ATOM 0 HD3 PRO A 69 6.676 9.282 1.753 1.00 2.06 H new ATOM 846 N GLN A 70 6.387 6.249 5.430 1.00 1.83 N ATOM 847 CA GLN A 70 6.012 5.569 6.651 1.00 1.81 C ATOM 848 C GLN A 70 4.504 5.676 6.813 1.00 1.42 C ATOM 849 O GLN A 70 3.851 6.144 5.898 1.00 1.30 O ATOM 850 CB GLN A 70 6.684 6.294 7.798 1.00 1.92 C ATOM 851 CG GLN A 70 6.108 7.700 7.969 1.00 1.65 C ATOM 852 CD GLN A 70 6.421 8.357 9.305 1.00 2.17 C ATOM 853 OE1 GLN A 70 6.551 9.578 9.381 1.00 2.65 O ATOM 854 NE2 GLN A 70 6.518 7.575 10.374 1.00 2.75 N ATOM 0 H GLN A 70 7.067 6.994 5.584 1.00 1.83 H new ATOM 0 HA GLN A 70 6.309 4.521 6.630 1.00 1.81 H new ATOM 0 HB2 GLN A 70 6.550 5.728 8.720 1.00 1.92 H new ATOM 0 HB3 GLN A 70 7.757 6.356 7.615 1.00 1.92 H new ATOM 0 HG2 GLN A 70 6.490 8.334 7.169 1.00 1.65 H new ATOM 0 HG3 GLN A 70 5.026 7.652 7.848 1.00 1.65 H new ATOM 0 HE21 GLN A 70 6.405 6.566 10.279 1.00 2.75 H new ATOM 0 HE22 GLN A 70 6.705 7.984 11.290 1.00 2.75 H new ATOM 863 N THR A 71 3.949 5.330 7.971 1.00 1.36 N ATOM 864 CA THR A 71 2.511 5.240 8.103 1.00 1.13 C ATOM 865 C THR A 71 1.813 6.418 7.465 1.00 0.86 C ATOM 866 O THR A 71 1.974 7.565 7.892 1.00 0.83 O ATOM 867 CB THR A 71 2.101 5.200 9.559 1.00 1.23 C ATOM 868 OG1 THR A 71 3.260 5.000 10.379 1.00 1.53 O ATOM 869 CG2 THR A 71 1.110 4.088 9.790 1.00 1.55 C ATOM 0 H THR A 71 4.472 5.111 8.819 1.00 1.36 H new ATOM 0 HA THR A 71 2.217 4.320 7.597 1.00 1.13 H new ATOM 0 HB THR A 71 1.631 6.147 9.823 1.00 1.23 H new ATOM 0 HG1 THR A 71 2.994 4.976 11.322 1.00 1.53 H new ATOM 0 HG21 THR A 71 0.823 4.069 10.841 1.00 1.55 H new ATOM 0 HG22 THR A 71 0.226 4.255 9.175 1.00 1.55 H new ATOM 0 HG23 THR A 71 1.564 3.134 9.521 1.00 1.55 H new ATOM 877 N LEU A 72 1.066 6.134 6.423 1.00 0.80 N ATOM 878 CA LEU A 72 0.400 7.170 5.707 1.00 0.65 C ATOM 879 C LEU A 72 -1.002 7.488 6.197 1.00 0.65 C ATOM 880 O LEU A 72 -1.374 8.599 6.050 1.00 0.66 O ATOM 881 CB LEU A 72 0.362 6.909 4.217 1.00 0.78 C ATOM 882 CG LEU A 72 1.334 7.773 3.431 1.00 0.97 C ATOM 883 CD1 LEU A 72 2.721 7.181 3.417 1.00 1.47 C ATOM 884 CD2 LEU A 72 0.824 8.036 2.026 1.00 1.79 C ATOM 0 H LEU A 72 0.911 5.193 6.061 1.00 0.80 H new ATOM 0 HA LEU A 72 1.012 8.049 5.910 1.00 0.65 H new ATOM 0 HB2 LEU A 72 0.589 5.859 4.033 1.00 0.78 H new ATOM 0 HB3 LEU A 72 -0.649 7.085 3.850 1.00 0.78 H new ATOM 0 HG LEU A 72 1.402 8.734 3.941 1.00 0.97 H new ATOM 0 HD11 LEU A 72 3.387 7.828 2.845 1.00 1.47 H new ATOM 0 HD12 LEU A 72 3.090 7.093 4.439 1.00 1.47 H new ATOM 0 HD13 LEU A 72 2.691 6.194 2.956 1.00 1.47 H new ATOM 0 HD21 LEU A 72 1.541 8.657 1.489 1.00 1.79 H new ATOM 0 HD22 LEU A 72 0.699 7.089 1.501 1.00 1.79 H new ATOM 0 HD23 LEU A 72 -0.135 8.552 2.078 1.00 1.79 H new ATOM 896 N PRO A 73 -1.806 6.561 6.767 1.00 0.75 N ATOM 897 CA PRO A 73 -3.225 6.823 7.103 1.00 0.84 C ATOM 898 C PRO A 73 -3.585 8.285 7.478 1.00 0.80 C ATOM 899 O PRO A 73 -4.656 8.761 7.105 1.00 0.82 O ATOM 900 CB PRO A 73 -3.439 5.861 8.254 1.00 1.03 C ATOM 901 CG PRO A 73 -2.717 4.655 7.773 1.00 1.07 C ATOM 902 CD PRO A 73 -1.452 5.177 7.141 1.00 0.84 C ATOM 0 HA PRO A 73 -3.876 6.678 6.241 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -3.025 6.241 9.188 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -4.496 5.662 8.431 1.00 1.03 H new ATOM 0 HG2 PRO A 73 -2.495 3.975 8.595 1.00 1.07 H new ATOM 0 HG3 PRO A 73 -3.316 4.098 7.053 1.00 1.07 H new ATOM 0 HD2 PRO A 73 -0.614 5.150 7.837 1.00 0.84 H new ATOM 0 HD3 PRO A 73 -1.163 4.587 6.271 1.00 0.84 H new ATOM 910 N GLU A 74 -2.700 8.993 8.186 1.00 0.78 N ATOM 911 CA GLU A 74 -2.875 10.433 8.422 1.00 0.78 C ATOM 912 C GLU A 74 -2.417 11.232 7.178 1.00 0.64 C ATOM 913 O GLU A 74 -3.188 12.011 6.618 1.00 0.64 O ATOM 914 CB GLU A 74 -2.085 10.850 9.669 1.00 0.87 C ATOM 915 CG GLU A 74 -2.648 12.060 10.401 1.00 1.22 C ATOM 916 CD GLU A 74 -2.460 13.361 9.651 1.00 1.48 C ATOM 917 OE1 GLU A 74 -1.324 13.876 9.630 1.00 1.67 O ATOM 918 OE2 GLU A 74 -3.446 13.879 9.095 1.00 2.28 O ATOM 0 H GLU A 74 -1.859 8.597 8.605 1.00 0.78 H new ATOM 0 HA GLU A 74 -3.929 10.650 8.594 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -2.051 10.008 10.360 1.00 0.87 H new ATOM 0 HB3 GLU A 74 -1.057 11.065 9.377 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -3.712 11.904 10.580 1.00 1.22 H new ATOM 0 HG3 GLU A 74 -2.169 12.140 11.377 1.00 1.22 H new ATOM 925 N ILE A 75 -1.158 11.016 6.754 1.00 0.58 N ATOM 926 CA ILE A 75 -0.637 11.531 5.466 1.00 0.53 C ATOM 927 C ILE A 75 -1.649 11.301 4.336 1.00 0.49 C ATOM 928 O ILE A 75 -1.988 12.207 3.582 1.00 0.53 O ATOM 929 CB ILE A 75 0.659 10.790 5.038 1.00 0.60 C ATOM 930 CG1 ILE A 75 1.772 10.887 6.086 1.00 0.73 C ATOM 931 CG2 ILE A 75 1.169 11.295 3.685 1.00 0.68 C ATOM 932 CD1 ILE A 75 3.040 10.182 5.658 1.00 1.38 C ATOM 0 H ILE A 75 -0.473 10.482 7.289 1.00 0.58 H new ATOM 0 HA ILE A 75 -0.445 12.593 5.622 1.00 0.53 H new ATOM 0 HB ILE A 75 0.387 9.739 4.946 1.00 0.60 H new ATOM 0 HG12 ILE A 75 1.993 11.937 6.280 1.00 0.73 H new ATOM 0 HG13 ILE A 75 1.421 10.457 7.024 1.00 0.73 H new ATOM 0 HG21 ILE A 75 2.077 10.756 3.414 1.00 0.68 H new ATOM 0 HG22 ILE A 75 0.407 11.128 2.924 1.00 0.68 H new ATOM 0 HG23 ILE A 75 1.386 12.361 3.753 1.00 0.68 H new ATOM 0 HD11 ILE A 75 3.794 10.283 6.439 1.00 1.38 H new ATOM 0 HD12 ILE A 75 2.830 9.125 5.491 1.00 1.38 H new ATOM 0 HD13 ILE A 75 3.411 10.628 4.735 1.00 1.38 H new ATOM 944 N PHE A 76 -2.096 10.058 4.237 1.00 0.50 N ATOM 945 CA PHE A 76 -3.020 9.610 3.218 1.00 0.56 C ATOM 946 C PHE A 76 -4.339 10.328 3.348 1.00 0.60 C ATOM 947 O PHE A 76 -4.882 10.787 2.364 1.00 0.72 O ATOM 948 CB PHE A 76 -3.245 8.097 3.320 1.00 0.65 C ATOM 949 CG PHE A 76 -2.981 7.383 2.030 1.00 2.05 C ATOM 950 CD1 PHE A 76 -3.578 7.813 0.863 1.00 2.34 C ATOM 951 CD2 PHE A 76 -2.123 6.298 1.980 1.00 2.12 C ATOM 952 CE1 PHE A 76 -3.324 7.177 -0.330 1.00 2.34 C ATOM 953 CE2 PHE A 76 -1.864 5.659 0.793 1.00 2.24 C ATOM 954 CZ PHE A 76 -2.463 6.099 -0.366 1.00 2.36 C ATOM 0 H PHE A 76 -1.816 9.318 4.881 1.00 0.50 H new ATOM 0 HA PHE A 76 -2.585 9.838 2.245 1.00 0.56 H new ATOM 0 HB2 PHE A 76 -2.596 7.689 4.095 1.00 0.65 H new ATOM 0 HB3 PHE A 76 -4.272 7.907 3.632 1.00 0.65 H new ATOM 0 HD1 PHE A 76 -4.251 8.657 0.886 1.00 2.34 H new ATOM 0 HD2 PHE A 76 -1.651 5.950 2.887 1.00 2.12 H new ATOM 0 HE1 PHE A 76 -3.798 7.521 -1.238 1.00 2.34 H new ATOM 0 HE2 PHE A 76 -1.192 4.814 0.768 1.00 2.24 H new ATOM 0 HZ PHE A 76 -2.259 5.601 -1.302 1.00 2.36 H new ATOM 964 N GLU A 77 -4.836 10.440 4.572 1.00 0.63 N ATOM 965 CA GLU A 77 -6.086 11.147 4.835 1.00 0.73 C ATOM 966 C GLU A 77 -6.011 12.555 4.250 1.00 0.69 C ATOM 967 O GLU A 77 -7.016 13.149 3.858 1.00 0.80 O ATOM 968 CB GLU A 77 -6.329 11.203 6.344 1.00 0.90 C ATOM 969 CG GLU A 77 -7.704 11.706 6.742 1.00 1.56 C ATOM 970 CD GLU A 77 -8.825 10.825 6.228 1.00 1.94 C ATOM 971 OE1 GLU A 77 -9.059 9.746 6.818 1.00 2.41 O ATOM 972 OE2 GLU A 77 -9.489 11.212 5.245 1.00 2.52 O ATOM 0 H GLU A 77 -4.392 10.049 5.403 1.00 0.63 H new ATOM 0 HA GLU A 77 -6.916 10.619 4.365 1.00 0.73 H new ATOM 0 HB2 GLU A 77 -6.187 10.205 6.759 1.00 0.90 H new ATOM 0 HB3 GLU A 77 -5.575 11.847 6.797 1.00 0.90 H new ATOM 0 HG2 GLU A 77 -7.764 11.764 7.829 1.00 1.56 H new ATOM 0 HG3 GLU A 77 -7.840 12.718 6.361 1.00 1.56 H new ATOM 979 N ALA A 78 -4.789 13.055 4.163 1.00 0.61 N ATOM 980 CA ALA A 78 -4.525 14.360 3.608 1.00 0.62 C ATOM 981 C ALA A 78 -4.357 14.299 2.085 1.00 0.60 C ATOM 982 O ALA A 78 -5.120 14.928 1.347 1.00 0.65 O ATOM 983 CB ALA A 78 -3.287 14.941 4.280 1.00 0.64 C ATOM 0 H ALA A 78 -3.954 12.561 4.478 1.00 0.61 H new ATOM 0 HA ALA A 78 -5.378 15.010 3.801 1.00 0.62 H new ATOM 0 HB1 ALA A 78 -3.078 15.928 3.867 1.00 0.64 H new ATOM 0 HB2 ALA A 78 -3.461 15.025 5.353 1.00 0.64 H new ATOM 0 HB3 ALA A 78 -2.435 14.286 4.101 1.00 0.64 H new ATOM 989 N ALA A 79 -3.375 13.526 1.619 1.00 0.65 N ATOM 990 CA ALA A 79 -3.096 13.398 0.184 1.00 0.75 C ATOM 991 C ALA A 79 -4.324 12.932 -0.580 1.00 0.86 C ATOM 992 O ALA A 79 -4.554 13.336 -1.718 1.00 0.99 O ATOM 993 CB ALA A 79 -1.962 12.413 -0.060 1.00 0.83 C ATOM 0 H ALA A 79 -2.756 12.976 2.215 1.00 0.65 H new ATOM 0 HA ALA A 79 -2.807 14.386 -0.175 1.00 0.75 H new ATOM 0 HB1 ALA A 79 -1.773 12.334 -1.131 1.00 0.83 H new ATOM 0 HB2 ALA A 79 -1.061 12.764 0.443 1.00 0.83 H new ATOM 0 HB3 ALA A 79 -2.239 11.435 0.332 1.00 0.83 H new ATOM 999 N ALA A 80 -5.100 12.082 0.062 1.00 0.91 N ATOM 1000 CA ALA A 80 -6.250 11.459 -0.557 1.00 1.12 C ATOM 1001 C ALA A 80 -7.365 12.465 -0.820 1.00 1.27 C ATOM 1002 O ALA A 80 -8.011 12.427 -1.867 1.00 1.56 O ATOM 1003 CB ALA A 80 -6.754 10.336 0.332 1.00 1.25 C ATOM 0 H ALA A 80 -4.949 11.804 1.032 1.00 0.91 H new ATOM 0 HA ALA A 80 -5.942 11.056 -1.522 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -7.620 9.865 -0.132 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -5.966 9.595 0.464 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -7.038 10.741 1.303 1.00 1.25 H new ATOM 1009 N THR A 81 -7.581 13.361 0.132 1.00 1.23 N ATOM 1010 CA THR A 81 -8.667 14.323 0.041 1.00 1.46 C ATOM 1011 C THR A 81 -8.280 15.523 -0.816 1.00 1.63 C ATOM 1012 O THR A 81 -9.122 16.103 -1.505 1.00 1.89 O ATOM 1013 CB THR A 81 -9.107 14.795 1.441 1.00 1.60 C ATOM 1014 OG1 THR A 81 -7.959 15.118 2.240 1.00 2.33 O ATOM 1015 CG2 THR A 81 -9.927 13.720 2.137 1.00 1.65 C ATOM 0 H THR A 81 -7.017 13.441 0.978 1.00 1.23 H new ATOM 0 HA THR A 81 -9.505 13.817 -0.438 1.00 1.46 H new ATOM 0 HB THR A 81 -9.724 15.686 1.321 1.00 1.60 H new ATOM 0 HG1 THR A 81 -7.698 14.336 2.770 1.00 2.33 H new ATOM 0 HG21 THR A 81 -10.228 14.073 3.123 1.00 1.65 H new ATOM 0 HG22 THR A 81 -10.815 13.499 1.545 1.00 1.65 H new ATOM 0 HG23 THR A 81 -9.327 12.816 2.243 1.00 1.65 H new ATOM 1023 N GLY A 82 -7.001 15.878 -0.793 1.00 1.69 N ATOM 1024 CA GLY A 82 -6.528 17.000 -1.583 1.00 2.14 C ATOM 1025 C GLY A 82 -6.257 16.620 -3.027 1.00 2.00 C ATOM 1026 O GLY A 82 -5.154 16.825 -3.536 1.00 2.59 O ATOM 0 H GLY A 82 -6.282 15.409 -0.241 1.00 1.69 H new ATOM 0 HA2 GLY A 82 -7.269 17.799 -1.554 1.00 2.14 H new ATOM 0 HA3 GLY A 82 -5.615 17.395 -1.137 1.00 2.14 H new ATOM 1030 N LYS A 83 -7.262 16.054 -3.680 1.00 1.89 N ATOM 1031 CA LYS A 83 -7.157 15.652 -5.077 1.00 2.11 C ATOM 1032 C LYS A 83 -8.443 15.997 -5.807 1.00 2.84 C ATOM 1033 O LYS A 83 -8.445 16.968 -6.589 1.00 3.20 O ATOM 1034 CB LYS A 83 -6.875 14.148 -5.201 1.00 2.31 C ATOM 1035 CG LYS A 83 -5.521 13.724 -4.653 1.00 2.78 C ATOM 1036 CD LYS A 83 -4.377 14.310 -5.466 1.00 3.44 C ATOM 1037 CE LYS A 83 -3.044 14.115 -4.766 1.00 3.93 C ATOM 1038 NZ LYS A 83 -3.007 14.801 -3.445 1.00 4.41 N ATOM 1039 OXT LYS A 83 -9.454 15.304 -5.582 1.00 3.62 O ATOM 0 H LYS A 83 -8.171 15.861 -3.259 1.00 1.89 H new ATOM 0 HA LYS A 83 -6.324 16.192 -5.527 1.00 2.11 H new ATOM 0 HB2 LYS A 83 -7.656 13.598 -4.676 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -6.936 13.863 -6.251 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -5.432 14.045 -3.615 1.00 2.78 H new ATOM 0 HG3 LYS A 83 -5.451 12.636 -4.657 1.00 2.78 H new ATOM 0 HD2 LYS A 83 -4.347 13.837 -6.448 1.00 3.44 H new ATOM 0 HD3 LYS A 83 -4.552 15.373 -5.629 1.00 3.44 H new ATOM 0 HE2 LYS A 83 -2.859 13.050 -4.628 1.00 3.93 H new ATOM 0 HE3 LYS A 83 -2.242 14.499 -5.397 1.00 3.93 H new ATOM 0 HZ1 LYS A 83 -2.045 15.152 -3.263 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 -3.672 15.601 -3.450 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 -3.278 14.130 -2.698 1.00 4.41 H new ATOM 1054 N MET B 15 -16.075 7.839 4.763 1.00 2.24 N ATOM 1055 CA MET B 15 -15.111 7.812 3.641 1.00 1.67 C ATOM 1056 C MET B 15 -13.828 7.109 4.061 1.00 1.40 C ATOM 1057 O MET B 15 -12.946 7.711 4.670 1.00 1.55 O ATOM 1058 CB MET B 15 -14.797 9.236 3.168 1.00 1.81 C ATOM 1059 CG MET B 15 -13.795 9.293 2.024 1.00 2.21 C ATOM 1060 SD MET B 15 -13.475 10.975 1.455 1.00 3.03 S ATOM 1061 CE MET B 15 -12.825 11.724 2.948 1.00 3.68 C ATOM 0 HA MET B 15 -15.561 7.260 2.816 1.00 1.67 H new ATOM 0 HB2 MET B 15 -15.723 9.717 2.853 1.00 1.81 H new ATOM 0 HB3 MET B 15 -14.409 9.811 4.008 1.00 1.81 H new ATOM 0 HG2 MET B 15 -12.858 8.839 2.346 1.00 2.21 H new ATOM 0 HG3 MET B 15 -14.168 8.698 1.191 1.00 2.21 H new ATOM 0 HE1 MET B 15 -12.530 12.753 2.740 1.00 3.68 H new ATOM 0 HE2 MET B 15 -13.592 11.715 3.723 1.00 3.68 H new ATOM 0 HE3 MET B 15 -11.957 11.160 3.290 1.00 3.68 H new ATOM 1073 N ASP B 16 -13.737 5.831 3.737 1.00 1.24 N ATOM 1074 CA ASP B 16 -12.568 5.036 4.078 1.00 1.13 C ATOM 1075 C ASP B 16 -11.472 5.246 3.050 1.00 0.91 C ATOM 1076 O ASP B 16 -11.529 4.702 1.948 1.00 1.01 O ATOM 1077 CB ASP B 16 -12.923 3.547 4.148 1.00 1.39 C ATOM 1078 CG ASP B 16 -13.855 3.215 5.294 1.00 1.84 C ATOM 1079 OD1 ASP B 16 -15.087 3.337 5.122 1.00 2.27 O ATOM 1080 OD2 ASP B 16 -13.365 2.825 6.371 1.00 2.42 O ATOM 0 H ASP B 16 -14.462 5.318 3.235 1.00 1.24 H new ATOM 0 HA ASP B 16 -12.214 5.360 5.057 1.00 1.13 H new ATOM 0 HB2 ASP B 16 -13.388 3.245 3.209 1.00 1.39 H new ATOM 0 HB3 ASP B 16 -12.007 2.965 4.251 1.00 1.39 H new ATOM 1085 N ASN B 17 -10.465 6.030 3.409 1.00 0.78 N ATOM 1086 CA ASN B 17 -9.351 6.290 2.504 1.00 0.75 C ATOM 1087 C ASN B 17 -8.438 5.072 2.416 1.00 0.62 C ATOM 1088 O ASN B 17 -7.515 5.037 1.609 1.00 0.65 O ATOM 1089 CB ASN B 17 -8.545 7.523 2.947 1.00 0.93 C ATOM 1090 CG ASN B 17 -7.755 7.304 4.228 1.00 1.57 C ATOM 1091 OD1 ASN B 17 -8.126 6.502 5.077 1.00 2.52 O ATOM 1092 ND2 ASN B 17 -6.659 8.026 4.378 1.00 1.71 N ATOM 0 H ASN B 17 -10.395 6.495 4.314 1.00 0.78 H new ATOM 0 HA ASN B 17 -9.767 6.494 1.517 1.00 0.75 H new ATOM 0 HB2 ASN B 17 -7.857 7.803 2.149 1.00 0.93 H new ATOM 0 HB3 ASN B 17 -9.227 8.361 3.089 1.00 0.93 H new ATOM 0 HD21 ASN B 17 -6.093 7.925 5.220 1.00 1.71 H new ATOM 0 HD22 ASN B 17 -6.379 8.685 3.651 1.00 1.71 H new ATOM 1099 N LYS B 18 -8.720 4.066 3.239 1.00 0.59 N ATOM 1100 CA LYS B 18 -7.918 2.849 3.265 1.00 0.62 C ATOM 1101 C LYS B 18 -8.222 1.976 2.052 1.00 0.54 C ATOM 1102 O LYS B 18 -7.316 1.567 1.331 1.00 0.48 O ATOM 1103 CB LYS B 18 -8.154 2.047 4.553 1.00 0.82 C ATOM 1104 CG LYS B 18 -7.567 2.677 5.810 1.00 1.09 C ATOM 1105 CD LYS B 18 -8.421 3.818 6.335 1.00 1.04 C ATOM 1106 CE LYS B 18 -7.754 4.515 7.504 1.00 1.43 C ATOM 1107 NZ LYS B 18 -8.552 5.672 7.984 1.00 1.89 N ATOM 0 H LYS B 18 -9.499 4.071 3.897 1.00 0.59 H new ATOM 0 HA LYS B 18 -6.871 3.150 3.235 1.00 0.62 H new ATOM 0 HB2 LYS B 18 -9.227 1.919 4.694 1.00 0.82 H new ATOM 0 HB3 LYS B 18 -7.728 1.051 4.429 1.00 0.82 H new ATOM 0 HG2 LYS B 18 -7.467 1.915 6.583 1.00 1.09 H new ATOM 0 HG3 LYS B 18 -6.564 3.046 5.595 1.00 1.09 H new ATOM 0 HD2 LYS B 18 -8.602 4.537 5.536 1.00 1.04 H new ATOM 0 HD3 LYS B 18 -9.393 3.434 6.645 1.00 1.04 H new ATOM 0 HE2 LYS B 18 -7.616 3.805 8.320 1.00 1.43 H new ATOM 0 HE3 LYS B 18 -6.762 4.856 7.206 1.00 1.43 H new ATOM 0 HZ1 LYS B 18 -8.047 6.143 8.762 1.00 1.89 H new ATOM 0 HZ2 LYS B 18 -8.692 6.345 7.204 1.00 1.89 H new ATOM 0 HZ3 LYS B 18 -9.477 5.339 8.323 1.00 1.89 H new ATOM 1121 N LYS B 19 -9.504 1.699 1.827 1.00 0.61 N ATOM 1122 CA LYS B 19 -9.919 0.868 0.701 1.00 0.61 C ATOM 1123 C LYS B 19 -9.562 1.539 -0.621 1.00 0.53 C ATOM 1124 O LYS B 19 -9.096 0.893 -1.561 1.00 0.55 O ATOM 1125 CB LYS B 19 -11.425 0.569 0.774 1.00 0.77 C ATOM 1126 CG LYS B 19 -12.304 1.807 0.866 1.00 0.82 C ATOM 1127 CD LYS B 19 -13.785 1.453 0.885 1.00 1.20 C ATOM 1128 CE LYS B 19 -14.264 0.938 -0.464 1.00 1.06 C ATOM 1129 NZ LYS B 19 -15.702 0.567 -0.436 1.00 1.49 N ATOM 0 H LYS B 19 -10.271 2.037 2.408 1.00 0.61 H new ATOM 0 HA LYS B 19 -9.383 -0.079 0.757 1.00 0.61 H new ATOM 0 HB2 LYS B 19 -11.713 -0.003 -0.108 1.00 0.77 H new ATOM 0 HB3 LYS B 19 -11.617 -0.064 1.641 1.00 0.77 H new ATOM 0 HG2 LYS B 19 -12.053 2.364 1.768 1.00 0.82 H new ATOM 0 HG3 LYS B 19 -12.098 2.462 0.019 1.00 0.82 H new ATOM 0 HD2 LYS B 19 -13.967 0.696 1.648 1.00 1.20 H new ATOM 0 HD3 LYS B 19 -14.365 2.333 1.164 1.00 1.20 H new ATOM 0 HE2 LYS B 19 -14.101 1.703 -1.223 1.00 1.06 H new ATOM 0 HE3 LYS B 19 -13.671 0.070 -0.753 1.00 1.06 H new ATOM 0 HZ1 LYS B 19 -15.990 0.221 -1.374 1.00 1.49 H new ATOM 0 HZ2 LYS B 19 -15.854 -0.181 0.271 1.00 1.49 H new ATOM 0 HZ3 LYS B 19 -16.271 1.401 -0.185 1.00 1.49 H new ATOM 1143 N ARG B 20 -9.754 2.848 -0.666 1.00 0.55 N ATOM 1144 CA ARG B 20 -9.414 3.635 -1.839 1.00 0.59 C ATOM 1145 C ARG B 20 -7.910 3.553 -2.094 1.00 0.55 C ATOM 1146 O ARG B 20 -7.455 3.380 -3.231 1.00 0.61 O ATOM 1147 CB ARG B 20 -9.863 5.085 -1.628 1.00 0.70 C ATOM 1148 CG ARG B 20 -11.315 5.186 -1.188 1.00 0.82 C ATOM 1149 CD ARG B 20 -11.864 6.596 -1.256 1.00 1.01 C ATOM 1150 NE ARG B 20 -13.280 6.631 -0.884 1.00 1.31 N ATOM 1151 CZ ARG B 20 -14.105 7.654 -1.115 1.00 1.46 C ATOM 1152 NH1 ARG B 20 -13.654 8.772 -1.663 1.00 1.33 N ATOM 1153 NH2 ARG B 20 -15.386 7.559 -0.781 1.00 2.34 N ATOM 0 H ARG B 20 -10.147 3.391 0.103 1.00 0.55 H new ATOM 0 HA ARG B 20 -9.929 3.240 -2.715 1.00 0.59 H new ATOM 0 HB2 ARG B 20 -9.226 5.554 -0.878 1.00 0.70 H new ATOM 0 HB3 ARG B 20 -9.728 5.643 -2.555 1.00 0.70 H new ATOM 0 HG2 ARG B 20 -11.924 4.536 -1.816 1.00 0.82 H new ATOM 0 HG3 ARG B 20 -11.404 4.817 -0.166 1.00 0.82 H new ATOM 0 HD2 ARG B 20 -11.294 7.244 -0.590 1.00 1.01 H new ATOM 0 HD3 ARG B 20 -11.740 6.989 -2.265 1.00 1.01 H new ATOM 0 HE ARG B 20 -13.664 5.812 -0.413 1.00 1.31 H new ATOM 0 HH11 ARG B 20 -12.669 8.856 -1.912 1.00 1.33 H new ATOM 0 HH12 ARG B 20 -14.292 9.549 -1.836 1.00 1.33 H new ATOM 0 HH21 ARG B 20 -15.738 6.705 -0.348 1.00 2.34 H new ATOM 0 HH22 ARG B 20 -16.018 8.340 -0.957 1.00 2.34 H new ATOM 1167 N LEU B 21 -7.135 3.629 -1.013 1.00 0.54 N ATOM 1168 CA LEU B 21 -5.687 3.555 -1.117 1.00 0.58 C ATOM 1169 C LEU B 21 -5.270 2.206 -1.692 1.00 0.57 C ATOM 1170 O LEU B 21 -4.327 2.115 -2.473 1.00 0.64 O ATOM 1171 CB LEU B 21 -5.024 3.810 0.254 1.00 0.64 C ATOM 1172 CG LEU B 21 -4.018 2.759 0.772 1.00 0.60 C ATOM 1173 CD1 LEU B 21 -2.762 2.715 -0.094 1.00 0.70 C ATOM 1174 CD2 LEU B 21 -3.627 3.076 2.200 1.00 0.61 C ATOM 0 H LEU B 21 -7.487 3.741 -0.062 1.00 0.54 H new ATOM 0 HA LEU B 21 -5.345 4.336 -1.797 1.00 0.58 H new ATOM 0 HB2 LEU B 21 -4.510 4.770 0.205 1.00 0.64 H new ATOM 0 HB3 LEU B 21 -5.816 3.910 0.996 1.00 0.64 H new ATOM 0 HG LEU B 21 -4.504 1.785 0.726 1.00 0.60 H new ATOM 0 HD11 LEU B 21 -2.075 1.965 0.299 1.00 0.70 H new ATOM 0 HD12 LEU B 21 -3.035 2.457 -1.117 1.00 0.70 H new ATOM 0 HD13 LEU B 21 -2.278 3.691 -0.083 1.00 0.70 H new ATOM 0 HD21 LEU B 21 -2.917 2.330 2.557 1.00 0.61 H new ATOM 0 HD22 LEU B 21 -3.167 4.063 2.241 1.00 0.61 H new ATOM 0 HD23 LEU B 21 -4.515 3.064 2.832 1.00 0.61 H new ATOM 1186 N ALA B 22 -5.979 1.159 -1.302 1.00 0.55 N ATOM 1187 CA ALA B 22 -5.689 -0.178 -1.790 1.00 0.63 C ATOM 1188 C ALA B 22 -5.736 -0.222 -3.305 1.00 0.51 C ATOM 1189 O ALA B 22 -5.015 -0.997 -3.937 1.00 0.44 O ATOM 1190 CB ALA B 22 -6.668 -1.171 -1.216 1.00 0.83 C ATOM 0 H ALA B 22 -6.760 1.210 -0.648 1.00 0.55 H new ATOM 0 HA ALA B 22 -4.683 -0.444 -1.467 1.00 0.63 H new ATOM 0 HB1 ALA B 22 -6.437 -2.168 -1.591 1.00 0.83 H new ATOM 0 HB2 ALA B 22 -6.595 -1.167 -0.128 1.00 0.83 H new ATOM 0 HB3 ALA B 22 -7.680 -0.897 -1.513 1.00 0.83 H new ATOM 1196 N TYR B 23 -6.581 0.618 -3.883 1.00 0.62 N ATOM 1197 CA TYR B 23 -6.655 0.726 -5.324 1.00 0.75 C ATOM 1198 C TYR B 23 -5.330 1.226 -5.887 1.00 0.66 C ATOM 1199 O TYR B 23 -4.886 0.759 -6.934 1.00 0.66 O ATOM 1200 CB TYR B 23 -7.791 1.647 -5.751 1.00 1.10 C ATOM 1201 CG TYR B 23 -8.057 1.588 -7.233 1.00 1.02 C ATOM 1202 CD1 TYR B 23 -8.209 0.361 -7.864 1.00 1.86 C ATOM 1203 CD2 TYR B 23 -8.160 2.743 -7.999 1.00 1.46 C ATOM 1204 CE1 TYR B 23 -8.452 0.284 -9.214 1.00 2.48 C ATOM 1205 CE2 TYR B 23 -8.405 2.672 -9.350 1.00 1.83 C ATOM 1206 CZ TYR B 23 -8.549 1.439 -9.953 1.00 2.22 C ATOM 1207 OH TYR B 23 -8.799 1.361 -11.297 1.00 2.99 O ATOM 0 H TYR B 23 -7.220 1.230 -3.376 1.00 0.62 H new ATOM 0 HA TYR B 23 -6.857 -0.267 -5.725 1.00 0.75 H new ATOM 0 HB2 TYR B 23 -8.698 1.374 -5.211 1.00 1.10 H new ATOM 0 HB3 TYR B 23 -7.549 2.672 -5.469 1.00 1.10 H new ATOM 0 HD1 TYR B 23 -8.135 -0.547 -7.285 1.00 1.86 H new ATOM 0 HD2 TYR B 23 -8.046 3.708 -7.527 1.00 1.46 H new ATOM 0 HE1 TYR B 23 -8.566 -0.678 -9.692 1.00 2.48 H new ATOM 0 HE2 TYR B 23 -8.484 3.576 -9.936 1.00 1.83 H new ATOM 0 HH TYR B 23 -8.790 0.422 -11.578 1.00 2.99 H new ATOM 1217 N ALA B 24 -4.699 2.172 -5.191 1.00 0.72 N ATOM 1218 CA ALA B 24 -3.352 2.626 -5.566 1.00 0.87 C ATOM 1219 C ALA B 24 -2.383 1.463 -5.646 1.00 0.75 C ATOM 1220 O ALA B 24 -1.570 1.368 -6.571 1.00 0.84 O ATOM 1221 CB ALA B 24 -2.804 3.634 -4.571 1.00 1.14 C ATOM 0 H ALA B 24 -5.091 2.637 -4.372 1.00 0.72 H new ATOM 0 HA ALA B 24 -3.448 3.097 -6.545 1.00 0.87 H new ATOM 0 HB1 ALA B 24 -1.807 3.946 -4.881 1.00 1.14 H new ATOM 0 HB2 ALA B 24 -3.461 4.503 -4.534 1.00 1.14 H new ATOM 0 HB3 ALA B 24 -2.750 3.177 -3.583 1.00 1.14 H new ATOM 1227 N ILE B 25 -2.486 0.586 -4.661 1.00 0.63 N ATOM 1228 CA ILE B 25 -1.592 -0.553 -4.540 1.00 0.71 C ATOM 1229 C ILE B 25 -1.782 -1.473 -5.731 1.00 0.61 C ATOM 1230 O ILE B 25 -0.829 -1.837 -6.416 1.00 0.66 O ATOM 1231 CB ILE B 25 -1.854 -1.363 -3.250 1.00 0.80 C ATOM 1232 CG1 ILE B 25 -2.024 -0.442 -2.032 1.00 0.97 C ATOM 1233 CG2 ILE B 25 -0.722 -2.352 -3.016 1.00 0.91 C ATOM 1234 CD1 ILE B 25 -0.772 0.309 -1.626 1.00 0.89 C ATOM 0 H ILE B 25 -3.190 0.643 -3.925 1.00 0.63 H new ATOM 0 HA ILE B 25 -0.574 -0.165 -4.502 1.00 0.71 H new ATOM 0 HB ILE B 25 -2.786 -1.913 -3.380 1.00 0.80 H new ATOM 0 HG12 ILE B 25 -2.811 0.281 -2.247 1.00 0.97 H new ATOM 0 HG13 ILE B 25 -2.363 -1.040 -1.186 1.00 0.97 H new ATOM 0 HG21 ILE B 25 -0.916 -2.918 -2.105 1.00 0.91 H new ATOM 0 HG22 ILE B 25 -0.657 -3.037 -3.861 1.00 0.91 H new ATOM 0 HG23 ILE B 25 0.219 -1.811 -2.914 1.00 0.91 H new ATOM 0 HD11 ILE B 25 -0.987 0.933 -0.759 1.00 0.89 H new ATOM 0 HD12 ILE B 25 0.014 -0.403 -1.375 1.00 0.89 H new ATOM 0 HD13 ILE B 25 -0.441 0.938 -2.452 1.00 0.89 H new ATOM 1246 N ILE B 26 -3.035 -1.822 -5.977 1.00 0.53 N ATOM 1247 CA ILE B 26 -3.391 -2.686 -7.088 1.00 0.53 C ATOM 1248 C ILE B 26 -2.983 -2.059 -8.415 1.00 0.51 C ATOM 1249 O ILE B 26 -2.303 -2.684 -9.223 1.00 0.53 O ATOM 1250 CB ILE B 26 -4.905 -2.961 -7.111 1.00 0.58 C ATOM 1251 CG1 ILE B 26 -5.347 -3.618 -5.799 1.00 0.67 C ATOM 1252 CG2 ILE B 26 -5.253 -3.838 -8.306 1.00 0.62 C ATOM 1253 CD1 ILE B 26 -6.848 -3.730 -5.645 1.00 0.78 C ATOM 0 H ILE B 26 -3.829 -1.516 -5.415 1.00 0.53 H new ATOM 0 HA ILE B 26 -2.857 -3.626 -6.951 1.00 0.53 H new ATOM 0 HB ILE B 26 -5.439 -2.016 -7.210 1.00 0.58 H new ATOM 0 HG12 ILE B 26 -4.910 -4.615 -5.738 1.00 0.67 H new ATOM 0 HG13 ILE B 26 -4.948 -3.043 -4.964 1.00 0.67 H new ATOM 0 HG21 ILE B 26 -6.326 -4.029 -8.317 1.00 0.62 H new ATOM 0 HG22 ILE B 26 -4.966 -3.330 -9.226 1.00 0.62 H new ATOM 0 HG23 ILE B 26 -4.717 -4.784 -8.232 1.00 0.62 H new ATOM 0 HD11 ILE B 26 -7.082 -4.205 -4.692 1.00 0.78 H new ATOM 0 HD12 ILE B 26 -7.292 -2.735 -5.673 1.00 0.78 H new ATOM 0 HD13 ILE B 26 -7.253 -4.331 -6.459 1.00 0.78 H new ATOM 1265 N GLN B 27 -3.389 -0.813 -8.614 1.00 0.54 N ATOM 1266 CA GLN B 27 -3.151 -0.100 -9.861 1.00 0.62 C ATOM 1267 C GLN B 27 -1.687 -0.171 -10.300 1.00 0.55 C ATOM 1268 O GLN B 27 -1.385 -0.694 -11.373 1.00 0.57 O ATOM 1269 CB GLN B 27 -3.599 1.356 -9.721 1.00 0.79 C ATOM 1270 CG GLN B 27 -4.992 1.622 -10.274 1.00 0.89 C ATOM 1271 CD GLN B 27 -5.065 1.389 -11.772 1.00 1.10 C ATOM 1272 OE1 GLN B 27 -4.082 1.572 -12.491 1.00 1.58 O ATOM 1273 NE2 GLN B 27 -6.225 0.981 -12.257 1.00 1.34 N ATOM 0 H GLN B 27 -3.893 -0.268 -7.915 1.00 0.54 H new ATOM 0 HA GLN B 27 -3.739 -0.588 -10.638 1.00 0.62 H new ATOM 0 HB2 GLN B 27 -3.576 1.634 -8.667 1.00 0.79 H new ATOM 0 HB3 GLN B 27 -2.884 1.998 -10.236 1.00 0.79 H new ATOM 0 HG2 GLN B 27 -5.711 0.975 -9.771 1.00 0.89 H new ATOM 0 HG3 GLN B 27 -5.279 2.650 -10.053 1.00 0.89 H new ATOM 0 HE21 GLN B 27 -7.018 0.840 -11.631 1.00 1.34 H new ATOM 0 HE22 GLN B 27 -6.327 0.807 -13.257 1.00 1.34 H new ATOM 1282 N PHE B 28 -0.780 0.327 -9.467 1.00 0.52 N ATOM 1283 CA PHE B 28 0.631 0.375 -9.840 1.00 0.51 C ATOM 1284 C PHE B 28 1.295 -0.976 -9.692 1.00 0.43 C ATOM 1285 O PHE B 28 1.787 -1.541 -10.660 1.00 0.42 O ATOM 1286 CB PHE B 28 1.399 1.386 -8.994 1.00 0.60 C ATOM 1287 CG PHE B 28 2.885 1.377 -9.253 1.00 0.90 C ATOM 1288 CD1 PHE B 28 3.392 1.826 -10.462 1.00 1.62 C ATOM 1289 CD2 PHE B 28 3.773 0.917 -8.291 1.00 1.60 C ATOM 1290 CE1 PHE B 28 4.751 1.817 -10.707 1.00 1.96 C ATOM 1291 CE2 PHE B 28 5.133 0.905 -8.531 1.00 1.98 C ATOM 1292 CZ PHE B 28 5.623 1.357 -9.739 1.00 1.83 C ATOM 0 H PHE B 28 -0.991 0.699 -8.541 1.00 0.52 H new ATOM 0 HA PHE B 28 0.659 0.679 -10.887 1.00 0.51 H new ATOM 0 HB2 PHE B 28 1.009 2.385 -9.191 1.00 0.60 H new ATOM 0 HB3 PHE B 28 1.220 1.177 -7.939 1.00 0.60 H new ATOM 0 HD1 PHE B 28 2.716 2.188 -11.222 1.00 1.62 H new ATOM 0 HD2 PHE B 28 3.396 0.564 -7.343 1.00 1.60 H new ATOM 0 HE1 PHE B 28 5.132 2.169 -11.654 1.00 1.96 H new ATOM 0 HE2 PHE B 28 5.812 0.542 -7.774 1.00 1.98 H new ATOM 0 HZ PHE B 28 6.686 1.351 -9.928 1.00 1.83 H new ATOM 1302 N LEU B 29 1.318 -1.477 -8.470 1.00 0.45 N ATOM 1303 CA LEU B 29 2.070 -2.685 -8.155 1.00 0.45 C ATOM 1304 C LEU B 29 1.654 -3.884 -9.016 1.00 0.45 C ATOM 1305 O LEU B 29 2.445 -4.799 -9.210 1.00 0.48 O ATOM 1306 CB LEU B 29 1.966 -3.040 -6.665 1.00 0.53 C ATOM 1307 CG LEU B 29 2.763 -2.147 -5.702 1.00 0.59 C ATOM 1308 CD1 LEU B 29 2.075 -0.808 -5.486 1.00 0.57 C ATOM 1309 CD2 LEU B 29 2.964 -2.858 -4.372 1.00 0.70 C ATOM 0 H LEU B 29 0.825 -1.068 -7.676 1.00 0.45 H new ATOM 0 HA LEU B 29 3.111 -2.461 -8.390 1.00 0.45 H new ATOM 0 HB2 LEU B 29 0.916 -3.005 -6.376 1.00 0.53 H new ATOM 0 HB3 LEU B 29 2.299 -4.070 -6.533 1.00 0.53 H new ATOM 0 HG LEU B 29 3.736 -1.952 -6.153 1.00 0.59 H new ATOM 0 HD11 LEU B 29 2.666 -0.202 -4.800 1.00 0.57 H new ATOM 0 HD12 LEU B 29 1.981 -0.289 -6.440 1.00 0.57 H new ATOM 0 HD13 LEU B 29 1.084 -0.972 -5.063 1.00 0.57 H new ATOM 0 HD21 LEU B 29 3.530 -2.215 -3.698 1.00 0.70 H new ATOM 0 HD22 LEU B 29 1.994 -3.083 -3.929 1.00 0.70 H new ATOM 0 HD23 LEU B 29 3.512 -3.786 -4.535 1.00 0.70 H new ATOM 1321 N HIS B 30 0.431 -3.892 -9.542 1.00 0.47 N ATOM 1322 CA HIS B 30 0.002 -5.005 -10.389 1.00 0.53 C ATOM 1323 C HIS B 30 0.392 -4.762 -11.846 1.00 0.48 C ATOM 1324 O HIS B 30 0.793 -5.688 -12.551 1.00 0.49 O ATOM 1325 CB HIS B 30 -1.503 -5.247 -10.279 1.00 0.67 C ATOM 1326 CG HIS B 30 -1.882 -6.675 -10.497 1.00 0.94 C ATOM 1327 ND1 HIS B 30 -2.658 -7.105 -11.549 1.00 1.11 N ATOM 1328 CD2 HIS B 30 -1.582 -7.779 -9.777 1.00 1.18 C ATOM 1329 CE1 HIS B 30 -2.817 -8.414 -11.466 1.00 1.38 C ATOM 1330 NE2 HIS B 30 -2.171 -8.845 -10.399 1.00 1.41 N ATOM 0 H HIS B 30 -0.266 -3.160 -9.403 1.00 0.47 H new ATOM 0 HA HIS B 30 0.514 -5.899 -10.034 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -1.845 -4.933 -9.293 1.00 0.67 H new ATOM 0 HB3 HIS B 30 -2.020 -4.624 -11.009 1.00 0.67 H new ATOM 0 HD2 HIS B 30 -0.987 -7.813 -8.876 1.00 1.18 H new ATOM 0 HE1 HIS B 30 -3.380 -9.027 -12.154 1.00 1.38 H new ATOM 0 HE2 HIS B 30 -2.119 -9.815 -10.089 1.00 1.41 H new ATOM 1339 N ASP B 31 0.280 -3.516 -12.287 1.00 0.48 N ATOM 1340 CA ASP B 31 0.685 -3.142 -13.641 1.00 0.52 C ATOM 1341 C ASP B 31 2.196 -3.268 -13.787 1.00 0.45 C ATOM 1342 O ASP B 31 2.706 -3.868 -14.738 1.00 0.50 O ATOM 1343 CB ASP B 31 0.238 -1.708 -13.946 1.00 0.63 C ATOM 1344 CG ASP B 31 0.712 -1.221 -15.299 1.00 1.24 C ATOM 1345 OD1 ASP B 31 0.100 -1.600 -16.320 1.00 1.98 O ATOM 1346 OD2 ASP B 31 1.694 -0.449 -15.344 1.00 1.79 O ATOM 0 H ASP B 31 -0.088 -2.745 -11.729 1.00 0.48 H new ATOM 0 HA ASP B 31 0.208 -3.815 -14.353 1.00 0.52 H new ATOM 0 HB2 ASP B 31 -0.850 -1.655 -13.907 1.00 0.63 H new ATOM 0 HB3 ASP B 31 0.618 -1.041 -13.172 1.00 0.63 H new ATOM 1351 N GLN B 32 2.901 -2.711 -12.817 1.00 0.42 N ATOM 1352 CA GLN B 32 4.348 -2.814 -12.732 1.00 0.44 C ATOM 1353 C GLN B 32 4.779 -4.273 -12.613 1.00 0.38 C ATOM 1354 O GLN B 32 5.852 -4.650 -13.081 1.00 0.43 O ATOM 1355 CB GLN B 32 4.846 -1.976 -11.537 1.00 0.52 C ATOM 1356 CG GLN B 32 6.197 -2.391 -10.960 1.00 0.57 C ATOM 1357 CD GLN B 32 6.108 -3.572 -10.002 1.00 1.17 C ATOM 1358 OE1 GLN B 32 7.036 -4.371 -9.901 1.00 1.93 O ATOM 1359 NE2 GLN B 32 4.993 -3.691 -9.296 1.00 1.31 N ATOM 0 H GLN B 32 2.482 -2.170 -12.060 1.00 0.42 H new ATOM 0 HA GLN B 32 4.796 -2.421 -13.645 1.00 0.44 H new ATOM 0 HB2 GLN B 32 4.908 -0.933 -11.848 1.00 0.52 H new ATOM 0 HB3 GLN B 32 4.100 -2.028 -10.744 1.00 0.52 H new ATOM 0 HG2 GLN B 32 6.870 -2.646 -11.778 1.00 0.57 H new ATOM 0 HG3 GLN B 32 6.637 -1.541 -10.438 1.00 0.57 H new ATOM 0 HE21 GLN B 32 4.244 -3.008 -9.407 1.00 1.31 H new ATOM 0 HE22 GLN B 32 4.884 -4.466 -8.642 1.00 1.31 H new ATOM 1368 N LEU B 33 3.930 -5.086 -11.994 1.00 0.37 N ATOM 1369 CA LEU B 33 4.224 -6.499 -11.790 1.00 0.42 C ATOM 1370 C LEU B 33 4.408 -7.200 -13.131 1.00 0.46 C ATOM 1371 O LEU B 33 5.319 -8.006 -13.304 1.00 0.53 O ATOM 1372 CB LEU B 33 3.092 -7.161 -10.994 1.00 0.53 C ATOM 1373 CG LEU B 33 3.520 -8.202 -9.956 1.00 0.80 C ATOM 1374 CD1 LEU B 33 4.073 -9.448 -10.629 1.00 1.22 C ATOM 1375 CD2 LEU B 33 4.550 -7.604 -9.010 1.00 0.83 C ATOM 0 H LEU B 33 3.028 -4.788 -11.623 1.00 0.37 H new ATOM 0 HA LEU B 33 5.151 -6.587 -11.223 1.00 0.42 H new ATOM 0 HB2 LEU B 33 2.528 -6.380 -10.484 1.00 0.53 H new ATOM 0 HB3 LEU B 33 2.411 -7.638 -11.698 1.00 0.53 H new ATOM 0 HG LEU B 33 2.642 -8.494 -9.381 1.00 0.80 H new ATOM 0 HD11 LEU B 33 4.369 -10.171 -9.869 1.00 1.22 H new ATOM 0 HD12 LEU B 33 3.307 -9.887 -11.268 1.00 1.22 H new ATOM 0 HD13 LEU B 33 4.940 -9.181 -11.233 1.00 1.22 H new ATOM 0 HD21 LEU B 33 4.848 -8.353 -8.276 1.00 0.83 H new ATOM 0 HD22 LEU B 33 5.424 -7.285 -9.578 1.00 0.83 H new ATOM 0 HD23 LEU B 33 4.118 -6.745 -8.497 1.00 0.83 H new ATOM 1387 N ARG B 34 3.553 -6.864 -14.084 1.00 0.47 N ATOM 1388 CA ARG B 34 3.624 -7.458 -15.411 1.00 0.59 C ATOM 1389 C ARG B 34 4.786 -6.873 -16.205 1.00 0.58 C ATOM 1390 O ARG B 34 5.287 -7.499 -17.137 1.00 0.69 O ATOM 1391 CB ARG B 34 2.311 -7.243 -16.168 1.00 0.70 C ATOM 1392 CG ARG B 34 1.093 -7.810 -15.456 1.00 1.41 C ATOM 1393 CD ARG B 34 1.261 -9.290 -15.144 1.00 1.46 C ATOM 1394 NE ARG B 34 0.094 -9.834 -14.453 1.00 2.18 N ATOM 1395 CZ ARG B 34 0.152 -10.548 -13.327 1.00 2.53 C ATOM 1396 NH1 ARG B 34 1.321 -10.835 -12.766 1.00 2.19 N ATOM 1397 NH2 ARG B 34 -0.961 -10.989 -12.764 1.00 3.50 N ATOM 0 H ARG B 34 2.802 -6.184 -13.964 1.00 0.47 H new ATOM 0 HA ARG B 34 3.789 -8.529 -15.292 1.00 0.59 H new ATOM 0 HB2 ARG B 34 2.164 -6.175 -16.325 1.00 0.70 H new ATOM 0 HB3 ARG B 34 2.391 -7.702 -17.153 1.00 0.70 H new ATOM 0 HG2 ARG B 34 0.924 -7.260 -14.530 1.00 1.41 H new ATOM 0 HG3 ARG B 34 0.209 -7.667 -16.078 1.00 1.41 H new ATOM 0 HD2 ARG B 34 1.424 -9.841 -16.070 1.00 1.46 H new ATOM 0 HD3 ARG B 34 2.148 -9.433 -14.527 1.00 1.46 H new ATOM 0 HE ARG B 34 -0.825 -9.656 -14.858 1.00 2.18 H new ATOM 0 HH11 ARG B 34 2.187 -10.509 -13.196 1.00 2.19 H new ATOM 0 HH12 ARG B 34 1.353 -11.381 -11.905 1.00 2.19 H new ATOM 0 HH21 ARG B 34 -1.864 -10.783 -13.191 1.00 3.50 H new ATOM 0 HH22 ARG B 34 -0.916 -11.535 -11.903 1.00 3.50 H new ATOM 1411 N HIS B 35 5.218 -5.675 -15.827 1.00 0.53 N ATOM 1412 CA HIS B 35 6.312 -5.005 -16.524 1.00 0.59 C ATOM 1413 C HIS B 35 7.670 -5.451 -15.994 1.00 0.58 C ATOM 1414 O HIS B 35 8.645 -5.515 -16.740 1.00 0.74 O ATOM 1415 CB HIS B 35 6.186 -3.484 -16.411 1.00 0.59 C ATOM 1416 CG HIS B 35 5.046 -2.912 -17.194 1.00 1.17 C ATOM 1417 ND1 HIS B 35 4.265 -1.869 -16.743 1.00 1.99 N ATOM 1418 CD2 HIS B 35 4.562 -3.238 -18.414 1.00 1.62 C ATOM 1419 CE1 HIS B 35 3.352 -1.582 -17.651 1.00 2.69 C ATOM 1420 NE2 HIS B 35 3.511 -2.398 -18.674 1.00 2.43 N ATOM 0 H HIS B 35 4.830 -5.149 -15.045 1.00 0.53 H new ATOM 0 HA HIS B 35 6.243 -5.288 -17.574 1.00 0.59 H new ATOM 0 HB2 HIS B 35 6.064 -3.216 -15.362 1.00 0.59 H new ATOM 0 HB3 HIS B 35 7.114 -3.026 -16.751 1.00 0.59 H new ATOM 0 HD2 HIS B 35 4.935 -4.016 -19.063 1.00 1.62 H new ATOM 0 HE1 HIS B 35 2.602 -0.810 -17.570 1.00 2.69 H new ATOM 0 HE2 HIS B 35 2.944 -2.403 -19.522 1.00 2.43 H new ATOM 1429 N GLY B 36 7.730 -5.751 -14.702 1.00 0.49 N ATOM 1430 CA GLY B 36 8.964 -6.230 -14.112 1.00 0.51 C ATOM 1431 C GLY B 36 9.692 -5.163 -13.322 1.00 0.47 C ATOM 1432 O GLY B 36 10.912 -5.030 -13.430 1.00 0.53 O ATOM 0 H GLY B 36 6.947 -5.671 -14.054 1.00 0.49 H new ATOM 0 HA2 GLY B 36 8.744 -7.073 -13.457 1.00 0.51 H new ATOM 0 HA3 GLY B 36 9.618 -6.601 -14.901 1.00 0.51 H new ATOM 1436 N GLY B 37 8.947 -4.389 -12.543 1.00 0.41 N ATOM 1437 CA GLY B 37 9.549 -3.321 -11.761 1.00 0.40 C ATOM 1438 C GLY B 37 10.419 -3.842 -10.633 1.00 0.39 C ATOM 1439 O GLY B 37 11.619 -3.565 -10.586 1.00 0.53 O ATOM 0 H GLY B 37 7.937 -4.480 -12.437 1.00 0.41 H new ATOM 0 HA2 GLY B 37 10.150 -2.690 -12.416 1.00 0.40 H new ATOM 0 HA3 GLY B 37 8.762 -2.691 -11.346 1.00 0.40 H new ATOM 1443 N LEU B 38 9.818 -4.590 -9.719 1.00 0.36 N ATOM 1444 CA LEU B 38 10.556 -5.166 -8.601 1.00 0.41 C ATOM 1445 C LEU B 38 11.268 -6.452 -9.022 1.00 0.49 C ATOM 1446 O LEU B 38 11.118 -6.909 -10.156 1.00 0.83 O ATOM 1447 CB LEU B 38 9.634 -5.438 -7.402 1.00 0.44 C ATOM 1448 CG LEU B 38 9.304 -4.232 -6.504 1.00 0.44 C ATOM 1449 CD1 LEU B 38 10.574 -3.585 -5.977 1.00 0.51 C ATOM 1450 CD2 LEU B 38 8.457 -3.210 -7.242 1.00 0.47 C ATOM 0 H LEU B 38 8.823 -4.813 -9.728 1.00 0.36 H new ATOM 0 HA LEU B 38 11.306 -4.437 -8.294 1.00 0.41 H new ATOM 0 HB2 LEU B 38 8.698 -5.850 -7.778 1.00 0.44 H new ATOM 0 HB3 LEU B 38 10.096 -6.208 -6.784 1.00 0.44 H new ATOM 0 HG LEU B 38 8.727 -4.602 -5.657 1.00 0.44 H new ATOM 0 HD11 LEU B 38 10.314 -2.735 -5.345 1.00 0.51 H new ATOM 0 HD12 LEU B 38 11.138 -4.313 -5.393 1.00 0.51 H new ATOM 0 HD13 LEU B 38 11.182 -3.242 -6.814 1.00 0.51 H new ATOM 0 HD21 LEU B 38 8.241 -2.371 -6.581 1.00 0.47 H new ATOM 0 HD22 LEU B 38 8.999 -2.852 -8.117 1.00 0.47 H new ATOM 0 HD23 LEU B 38 7.522 -3.673 -7.558 1.00 0.47 H new ATOM 1462 N SER B 39 12.042 -7.026 -8.104 1.00 0.47 N ATOM 1463 CA SER B 39 12.801 -8.240 -8.384 1.00 0.54 C ATOM 1464 C SER B 39 11.872 -9.434 -8.615 1.00 0.48 C ATOM 1465 O SER B 39 10.676 -9.357 -8.326 1.00 0.45 O ATOM 1466 CB SER B 39 13.768 -8.531 -7.228 1.00 0.67 C ATOM 1467 OG SER B 39 14.593 -9.649 -7.512 1.00 1.42 O ATOM 0 H SER B 39 12.160 -6.667 -7.156 1.00 0.47 H new ATOM 0 HA SER B 39 13.373 -8.082 -9.298 1.00 0.54 H new ATOM 0 HB2 SER B 39 14.390 -7.655 -7.043 1.00 0.67 H new ATOM 0 HB3 SER B 39 13.201 -8.718 -6.316 1.00 0.67 H new ATOM 0 HG SER B 39 15.199 -9.808 -6.758 1.00 1.42 H new ATOM 1473 N SER B 40 12.425 -10.531 -9.117 1.00 0.59 N ATOM 1474 CA SER B 40 11.640 -11.709 -9.471 1.00 0.61 C ATOM 1475 C SER B 40 10.794 -12.207 -8.296 1.00 0.53 C ATOM 1476 O SER B 40 9.577 -12.365 -8.420 1.00 0.49 O ATOM 1477 CB SER B 40 12.573 -12.813 -9.966 1.00 0.77 C ATOM 1478 OG SER B 40 13.705 -12.938 -9.118 1.00 1.63 O ATOM 0 H SER B 40 13.425 -10.630 -9.290 1.00 0.59 H new ATOM 0 HA SER B 40 10.949 -11.430 -10.266 1.00 0.61 H new ATOM 0 HB2 SER B 40 12.035 -13.760 -10.003 1.00 0.77 H new ATOM 0 HB3 SER B 40 12.898 -12.591 -10.983 1.00 0.77 H new ATOM 0 HG SER B 40 14.287 -13.651 -9.453 1.00 1.63 H new ATOM 1484 N ASP B 41 11.441 -12.444 -7.160 1.00 0.57 N ATOM 1485 CA ASP B 41 10.745 -12.926 -5.966 1.00 0.58 C ATOM 1486 C ASP B 41 9.769 -11.880 -5.452 1.00 0.53 C ATOM 1487 O ASP B 41 8.671 -12.204 -4.995 1.00 0.55 O ATOM 1488 CB ASP B 41 11.741 -13.285 -4.862 1.00 0.71 C ATOM 1489 CG ASP B 41 12.638 -14.445 -5.235 1.00 1.26 C ATOM 1490 OD1 ASP B 41 12.172 -15.603 -5.192 1.00 1.69 O ATOM 1491 OD2 ASP B 41 13.816 -14.202 -5.571 1.00 2.21 O ATOM 0 H ASP B 41 12.445 -12.311 -7.038 1.00 0.57 H new ATOM 0 HA ASP B 41 10.190 -13.822 -6.245 1.00 0.58 H new ATOM 0 HB2 ASP B 41 12.356 -12.414 -4.637 1.00 0.71 H new ATOM 0 HB3 ASP B 41 11.194 -13.533 -3.952 1.00 0.71 H new ATOM 1496 N ALA B 42 10.177 -10.621 -5.537 1.00 0.51 N ATOM 1497 CA ALA B 42 9.343 -9.512 -5.102 1.00 0.50 C ATOM 1498 C ALA B 42 8.069 -9.445 -5.932 1.00 0.47 C ATOM 1499 O ALA B 42 6.988 -9.197 -5.402 1.00 0.52 O ATOM 1500 CB ALA B 42 10.115 -8.208 -5.203 1.00 0.54 C ATOM 0 H ALA B 42 11.086 -10.343 -5.906 1.00 0.51 H new ATOM 0 HA ALA B 42 9.063 -9.672 -4.061 1.00 0.50 H new ATOM 0 HB1 ALA B 42 9.482 -7.384 -4.875 1.00 0.54 H new ATOM 0 HB2 ALA B 42 11.001 -8.259 -4.570 1.00 0.54 H new ATOM 0 HB3 ALA B 42 10.418 -8.044 -6.237 1.00 0.54 H new ATOM 1506 N GLN B 43 8.213 -9.679 -7.231 1.00 0.44 N ATOM 1507 CA GLN B 43 7.086 -9.723 -8.155 1.00 0.45 C ATOM 1508 C GLN B 43 6.003 -10.673 -7.660 1.00 0.45 C ATOM 1509 O GLN B 43 4.891 -10.256 -7.331 1.00 0.48 O ATOM 1510 CB GLN B 43 7.565 -10.178 -9.529 1.00 0.49 C ATOM 1511 CG GLN B 43 8.267 -9.089 -10.325 1.00 0.82 C ATOM 1512 CD GLN B 43 8.840 -9.590 -11.637 1.00 0.85 C ATOM 1513 OE1 GLN B 43 8.946 -8.841 -12.605 1.00 1.57 O ATOM 1514 NE2 GLN B 43 9.216 -10.858 -11.685 1.00 1.12 N ATOM 0 H GLN B 43 9.117 -9.844 -7.674 1.00 0.44 H new ATOM 0 HA GLN B 43 6.663 -8.720 -8.220 1.00 0.45 H new ATOM 0 HB2 GLN B 43 8.245 -11.021 -9.406 1.00 0.49 H new ATOM 0 HB3 GLN B 43 6.710 -10.539 -10.100 1.00 0.49 H new ATOM 0 HG2 GLN B 43 7.562 -8.283 -10.527 1.00 0.82 H new ATOM 0 HG3 GLN B 43 9.070 -8.666 -9.722 1.00 0.82 H new ATOM 0 HE21 GLN B 43 9.114 -11.452 -10.862 1.00 1.12 H new ATOM 0 HE22 GLN B 43 9.608 -11.241 -12.545 1.00 1.12 H new ATOM 1523 N GLU B 44 6.350 -11.950 -7.619 1.00 0.49 N ATOM 1524 CA GLU B 44 5.455 -12.994 -7.120 1.00 0.54 C ATOM 1525 C GLU B 44 4.841 -12.613 -5.771 1.00 0.51 C ATOM 1526 O GLU B 44 3.666 -12.879 -5.518 1.00 0.50 O ATOM 1527 CB GLU B 44 6.217 -14.312 -6.980 1.00 0.68 C ATOM 1528 CG GLU B 44 6.785 -14.832 -8.290 1.00 1.20 C ATOM 1529 CD GLU B 44 5.710 -15.109 -9.316 1.00 1.65 C ATOM 1530 OE1 GLU B 44 5.003 -16.127 -9.178 1.00 2.36 O ATOM 1531 OE2 GLU B 44 5.557 -14.306 -10.260 1.00 2.20 O ATOM 0 H GLU B 44 7.258 -12.296 -7.929 1.00 0.49 H new ATOM 0 HA GLU B 44 4.646 -13.109 -7.841 1.00 0.54 H new ATOM 0 HB2 GLU B 44 7.032 -14.176 -6.269 1.00 0.68 H new ATOM 0 HB3 GLU B 44 5.550 -15.064 -6.560 1.00 0.68 H new ATOM 0 HG2 GLU B 44 7.488 -14.103 -8.693 1.00 1.20 H new ATOM 0 HG3 GLU B 44 7.347 -15.747 -8.101 1.00 1.20 H new ATOM 1538 N SER B 45 5.640 -11.980 -4.919 1.00 0.54 N ATOM 1539 CA SER B 45 5.189 -11.580 -3.593 1.00 0.59 C ATOM 1540 C SER B 45 4.123 -10.483 -3.666 1.00 0.55 C ATOM 1541 O SER B 45 3.151 -10.508 -2.907 1.00 0.58 O ATOM 1542 CB SER B 45 6.379 -11.112 -2.756 1.00 0.71 C ATOM 1543 OG SER B 45 7.343 -12.144 -2.619 1.00 1.04 O ATOM 0 H SER B 45 6.608 -11.732 -5.125 1.00 0.54 H new ATOM 0 HA SER B 45 4.734 -12.448 -3.117 1.00 0.59 H new ATOM 0 HB2 SER B 45 6.838 -10.241 -3.225 1.00 0.71 H new ATOM 0 HB3 SER B 45 6.034 -10.799 -1.771 1.00 0.71 H new ATOM 0 HG SER B 45 7.849 -12.232 -3.454 1.00 1.04 H new ATOM 1549 N LEU B 46 4.293 -9.525 -4.578 1.00 0.56 N ATOM 1550 CA LEU B 46 3.317 -8.448 -4.731 1.00 0.60 C ATOM 1551 C LEU B 46 2.000 -9.007 -5.243 1.00 0.50 C ATOM 1552 O LEU B 46 0.936 -8.541 -4.855 1.00 0.48 O ATOM 1553 CB LEU B 46 3.808 -7.356 -5.687 1.00 0.74 C ATOM 1554 CG LEU B 46 5.167 -6.737 -5.356 1.00 0.75 C ATOM 1555 CD1 LEU B 46 5.465 -5.568 -6.281 1.00 1.28 C ATOM 1556 CD2 LEU B 46 5.217 -6.290 -3.904 1.00 1.14 C ATOM 0 H LEU B 46 5.088 -9.473 -5.215 1.00 0.56 H new ATOM 0 HA LEU B 46 3.177 -7.998 -3.748 1.00 0.60 H new ATOM 0 HB2 LEU B 46 3.857 -7.776 -6.692 1.00 0.74 H new ATOM 0 HB3 LEU B 46 3.064 -6.560 -5.710 1.00 0.74 H new ATOM 0 HG LEU B 46 5.931 -7.500 -5.507 1.00 0.75 H new ATOM 0 HD11 LEU B 46 6.436 -5.142 -6.028 1.00 1.28 H new ATOM 0 HD12 LEU B 46 5.479 -5.916 -7.314 1.00 1.28 H new ATOM 0 HD13 LEU B 46 4.694 -4.806 -6.165 1.00 1.28 H new ATOM 0 HD21 LEU B 46 6.193 -5.853 -3.691 1.00 1.14 H new ATOM 0 HD22 LEU B 46 4.440 -5.547 -3.725 1.00 1.14 H new ATOM 0 HD23 LEU B 46 5.055 -7.149 -3.253 1.00 1.14 H new ATOM 1568 N GLU B 47 2.085 -10.007 -6.115 1.00 0.49 N ATOM 1569 CA GLU B 47 0.899 -10.684 -6.632 1.00 0.48 C ATOM 1570 C GLU B 47 0.048 -11.198 -5.478 1.00 0.43 C ATOM 1571 O GLU B 47 -1.133 -10.867 -5.364 1.00 0.45 O ATOM 1572 CB GLU B 47 1.309 -11.855 -7.524 1.00 0.55 C ATOM 1573 CG GLU B 47 0.140 -12.575 -8.183 1.00 0.81 C ATOM 1574 CD GLU B 47 -0.481 -11.782 -9.315 1.00 1.06 C ATOM 1575 OE1 GLU B 47 -1.404 -10.982 -9.060 1.00 1.75 O ATOM 1576 OE2 GLU B 47 -0.058 -11.971 -10.474 1.00 1.52 O ATOM 0 H GLU B 47 2.966 -10.368 -6.480 1.00 0.49 H new ATOM 0 HA GLU B 47 0.319 -9.972 -7.219 1.00 0.48 H new ATOM 0 HB2 GLU B 47 1.980 -11.488 -8.301 1.00 0.55 H new ATOM 0 HB3 GLU B 47 1.873 -12.572 -6.927 1.00 0.55 H new ATOM 0 HG2 GLU B 47 0.482 -13.537 -8.565 1.00 0.81 H new ATOM 0 HG3 GLU B 47 -0.622 -12.783 -7.432 1.00 0.81 H new ATOM 1583 N VAL B 48 0.677 -11.995 -4.618 1.00 0.41 N ATOM 1584 CA VAL B 48 0.015 -12.547 -3.435 1.00 0.42 C ATOM 1585 C VAL B 48 -0.633 -11.435 -2.625 1.00 0.41 C ATOM 1586 O VAL B 48 -1.812 -11.503 -2.273 1.00 0.43 O ATOM 1587 CB VAL B 48 1.007 -13.286 -2.508 1.00 0.45 C ATOM 1588 CG1 VAL B 48 0.264 -14.056 -1.429 1.00 0.49 C ATOM 1589 CG2 VAL B 48 1.916 -14.214 -3.289 1.00 0.48 C ATOM 0 H VAL B 48 1.652 -12.276 -4.718 1.00 0.41 H new ATOM 0 HA VAL B 48 -0.733 -13.252 -3.798 1.00 0.42 H new ATOM 0 HB VAL B 48 1.632 -12.531 -2.031 1.00 0.45 H new ATOM 0 HG11 VAL B 48 0.982 -14.568 -0.788 1.00 0.49 H new ATOM 0 HG12 VAL B 48 -0.328 -13.364 -0.830 1.00 0.49 H new ATOM 0 HG13 VAL B 48 -0.395 -14.789 -1.894 1.00 0.49 H new ATOM 0 HG21 VAL B 48 2.599 -14.716 -2.604 1.00 0.48 H new ATOM 0 HG22 VAL B 48 1.314 -14.958 -3.811 1.00 0.48 H new ATOM 0 HG23 VAL B 48 2.489 -13.636 -4.014 1.00 0.48 H new ATOM 1599 N ALA B 49 0.156 -10.405 -2.347 1.00 0.41 N ATOM 1600 CA ALA B 49 -0.287 -9.289 -1.532 1.00 0.43 C ATOM 1601 C ALA B 49 -1.479 -8.578 -2.151 1.00 0.43 C ATOM 1602 O ALA B 49 -2.490 -8.360 -1.491 1.00 0.48 O ATOM 1603 CB ALA B 49 0.859 -8.312 -1.322 1.00 0.44 C ATOM 0 H ALA B 49 1.117 -10.323 -2.680 1.00 0.41 H new ATOM 0 HA ALA B 49 -0.606 -9.685 -0.568 1.00 0.43 H new ATOM 0 HB1 ALA B 49 0.518 -7.477 -0.709 1.00 0.44 H new ATOM 0 HB2 ALA B 49 1.682 -8.819 -0.819 1.00 0.44 H new ATOM 0 HB3 ALA B 49 1.200 -7.938 -2.287 1.00 0.44 H new ATOM 1609 N ILE B 50 -1.355 -8.240 -3.420 1.00 0.40 N ATOM 1610 CA ILE B 50 -2.381 -7.496 -4.131 1.00 0.41 C ATOM 1611 C ILE B 50 -3.696 -8.269 -4.191 1.00 0.38 C ATOM 1612 O ILE B 50 -4.766 -7.696 -3.981 1.00 0.41 O ATOM 1613 CB ILE B 50 -1.898 -7.139 -5.550 1.00 0.43 C ATOM 1614 CG1 ILE B 50 -0.808 -6.069 -5.464 1.00 0.53 C ATOM 1615 CG2 ILE B 50 -3.049 -6.667 -6.428 1.00 0.47 C ATOM 1616 CD1 ILE B 50 -0.212 -5.701 -6.801 1.00 0.62 C ATOM 0 H ILE B 50 -0.541 -8.473 -3.989 1.00 0.40 H new ATOM 0 HA ILE B 50 -2.566 -6.574 -3.579 1.00 0.41 H new ATOM 0 HB ILE B 50 -1.486 -8.036 -6.012 1.00 0.43 H new ATOM 0 HG12 ILE B 50 -1.226 -5.174 -5.004 1.00 0.53 H new ATOM 0 HG13 ILE B 50 -0.014 -6.424 -4.807 1.00 0.53 H new ATOM 0 HG21 ILE B 50 -2.673 -6.424 -7.422 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -3.795 -7.458 -6.506 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -3.505 -5.781 -5.986 1.00 0.47 H new ATOM 0 HD11 ILE B 50 0.553 -4.937 -6.661 1.00 0.62 H new ATOM 0 HD12 ILE B 50 0.236 -6.585 -7.255 1.00 0.62 H new ATOM 0 HD13 ILE B 50 -0.994 -5.315 -7.454 1.00 0.62 H new ATOM 1628 N GLN B 51 -3.616 -9.571 -4.447 1.00 0.39 N ATOM 1629 CA GLN B 51 -4.814 -10.401 -4.494 1.00 0.43 C ATOM 1630 C GLN B 51 -5.496 -10.427 -3.130 1.00 0.43 C ATOM 1631 O GLN B 51 -6.727 -10.365 -3.030 1.00 0.47 O ATOM 1632 CB GLN B 51 -4.480 -11.826 -4.942 1.00 0.51 C ATOM 1633 CG GLN B 51 -3.893 -11.909 -6.343 1.00 0.78 C ATOM 1634 CD GLN B 51 -4.742 -11.198 -7.383 1.00 1.02 C ATOM 1635 OE1 GLN B 51 -5.965 -11.099 -7.255 1.00 1.84 O ATOM 1636 NE2 GLN B 51 -4.099 -10.705 -8.427 1.00 1.35 N ATOM 0 H GLN B 51 -2.744 -10.070 -4.623 1.00 0.39 H new ATOM 0 HA GLN B 51 -5.496 -9.965 -5.224 1.00 0.43 H new ATOM 0 HB2 GLN B 51 -3.773 -12.262 -4.236 1.00 0.51 H new ATOM 0 HB3 GLN B 51 -5.386 -12.431 -4.902 1.00 0.51 H new ATOM 0 HG2 GLN B 51 -2.893 -11.475 -6.339 1.00 0.78 H new ATOM 0 HG3 GLN B 51 -3.784 -12.956 -6.624 1.00 0.78 H new ATOM 0 HE21 GLN B 51 -3.087 -10.807 -8.497 1.00 1.35 H new ATOM 0 HE22 GLN B 51 -4.615 -10.223 -9.163 1.00 1.35 H new ATOM 1645 N CYS B 52 -4.689 -10.497 -2.080 1.00 0.45 N ATOM 1646 CA CYS B 52 -5.204 -10.484 -0.723 1.00 0.52 C ATOM 1647 C CYS B 52 -5.792 -9.117 -0.383 1.00 0.53 C ATOM 1648 O CYS B 52 -6.861 -9.031 0.208 1.00 0.59 O ATOM 1649 CB CYS B 52 -4.100 -10.851 0.268 1.00 0.59 C ATOM 1650 SG CYS B 52 -3.396 -12.497 0.005 1.00 0.69 S ATOM 0 H CYS B 52 -3.673 -10.563 -2.145 1.00 0.45 H new ATOM 0 HA CYS B 52 -5.999 -11.226 -0.650 1.00 0.52 H new ATOM 0 HB2 CYS B 52 -3.303 -10.111 0.200 1.00 0.59 H new ATOM 0 HB3 CYS B 52 -4.501 -10.795 1.280 1.00 0.59 H new ATOM 0 HG CYS B 52 -2.484 -12.436 -0.920 1.00 0.69 H new ATOM 1656 N LEU B 53 -5.099 -8.053 -0.782 1.00 0.49 N ATOM 1657 CA LEU B 53 -5.552 -6.686 -0.526 1.00 0.53 C ATOM 1658 C LEU B 53 -6.876 -6.405 -1.227 1.00 0.50 C ATOM 1659 O LEU B 53 -7.803 -5.861 -0.624 1.00 0.57 O ATOM 1660 CB LEU B 53 -4.500 -5.675 -0.990 1.00 0.63 C ATOM 1661 CG LEU B 53 -3.174 -5.711 -0.225 1.00 0.54 C ATOM 1662 CD1 LEU B 53 -2.180 -4.740 -0.838 1.00 0.76 C ATOM 1663 CD2 LEU B 53 -3.387 -5.386 1.245 1.00 0.61 C ATOM 0 H LEU B 53 -4.215 -8.111 -1.288 1.00 0.49 H new ATOM 0 HA LEU B 53 -5.699 -6.583 0.549 1.00 0.53 H new ATOM 0 HB2 LEU B 53 -4.295 -5.848 -2.047 1.00 0.63 H new ATOM 0 HB3 LEU B 53 -4.921 -4.673 -0.907 1.00 0.63 H new ATOM 0 HG LEU B 53 -2.769 -6.720 -0.298 1.00 0.54 H new ATOM 0 HD11 LEU B 53 -1.243 -4.779 -0.282 1.00 0.76 H new ATOM 0 HD12 LEU B 53 -1.997 -5.014 -1.877 1.00 0.76 H new ATOM 0 HD13 LEU B 53 -2.586 -3.729 -0.796 1.00 0.76 H new ATOM 0 HD21 LEU B 53 -2.431 -5.418 1.767 1.00 0.61 H new ATOM 0 HD22 LEU B 53 -3.818 -4.389 1.338 1.00 0.61 H new ATOM 0 HD23 LEU B 53 -4.065 -6.117 1.685 1.00 0.61 H new ATOM 1675 N GLU B 54 -6.958 -6.789 -2.496 1.00 0.46 N ATOM 1676 CA GLU B 54 -8.168 -6.603 -3.289 1.00 0.50 C ATOM 1677 C GLU B 54 -9.360 -7.260 -2.601 1.00 0.56 C ATOM 1678 O GLU B 54 -10.432 -6.670 -2.492 1.00 0.65 O ATOM 1679 CB GLU B 54 -7.975 -7.212 -4.680 1.00 0.55 C ATOM 1680 CG GLU B 54 -9.138 -6.970 -5.637 1.00 0.73 C ATOM 1681 CD GLU B 54 -9.102 -7.906 -6.826 1.00 1.06 C ATOM 1682 OE1 GLU B 54 -8.401 -7.603 -7.812 1.00 1.62 O ATOM 1683 OE2 GLU B 54 -9.775 -8.957 -6.775 1.00 1.66 O ATOM 0 H GLU B 54 -6.193 -7.235 -3.002 1.00 0.46 H new ATOM 0 HA GLU B 54 -8.362 -5.535 -3.385 1.00 0.50 H new ATOM 0 HB2 GLU B 54 -7.066 -6.802 -5.120 1.00 0.55 H new ATOM 0 HB3 GLU B 54 -7.823 -8.286 -4.576 1.00 0.55 H new ATOM 0 HG2 GLU B 54 -10.079 -7.099 -5.103 1.00 0.73 H new ATOM 0 HG3 GLU B 54 -9.110 -5.938 -5.988 1.00 0.73 H new ATOM 1690 N THR B 55 -9.148 -8.478 -2.123 1.00 0.61 N ATOM 1691 CA THR B 55 -10.196 -9.234 -1.455 1.00 0.77 C ATOM 1692 C THR B 55 -10.447 -8.702 -0.042 1.00 0.83 C ATOM 1693 O THR B 55 -11.584 -8.684 0.433 1.00 0.98 O ATOM 1694 CB THR B 55 -9.822 -10.728 -1.398 1.00 0.95 C ATOM 1695 OG1 THR B 55 -9.469 -11.185 -2.715 1.00 0.99 O ATOM 1696 CG2 THR B 55 -10.974 -11.563 -0.860 1.00 1.15 C ATOM 0 H THR B 55 -8.254 -8.965 -2.186 1.00 0.61 H new ATOM 0 HA THR B 55 -11.114 -9.117 -2.031 1.00 0.77 H new ATOM 0 HB THR B 55 -8.973 -10.843 -0.724 1.00 0.95 H new ATOM 0 HG1 THR B 55 -8.534 -10.957 -2.901 1.00 0.99 H new ATOM 0 HG21 THR B 55 -10.680 -12.612 -0.831 1.00 1.15 H new ATOM 0 HG22 THR B 55 -11.226 -11.229 0.147 1.00 1.15 H new ATOM 0 HG23 THR B 55 -11.842 -11.447 -1.509 1.00 1.15 H new ATOM 1704 N ALA B 56 -9.381 -8.259 0.614 1.00 0.76 N ATOM 1705 CA ALA B 56 -9.466 -7.730 1.970 1.00 0.87 C ATOM 1706 C ALA B 56 -10.327 -6.480 2.022 1.00 0.88 C ATOM 1707 O ALA B 56 -11.297 -6.411 2.775 1.00 1.14 O ATOM 1708 CB ALA B 56 -8.080 -7.419 2.506 1.00 0.89 C ATOM 0 H ALA B 56 -8.439 -8.256 0.224 1.00 0.76 H new ATOM 0 HA ALA B 56 -9.930 -8.494 2.593 1.00 0.87 H new ATOM 0 HB1 ALA B 56 -8.162 -7.025 3.519 1.00 0.89 H new ATOM 0 HB2 ALA B 56 -7.482 -8.330 2.518 1.00 0.89 H new ATOM 0 HB3 ALA B 56 -7.600 -6.678 1.866 1.00 0.89 H new ATOM 1714 N PHE B 57 -9.965 -5.493 1.218 1.00 0.76 N ATOM 1715 CA PHE B 57 -10.687 -4.239 1.191 1.00 1.05 C ATOM 1716 C PHE B 57 -11.984 -4.371 0.403 1.00 1.57 C ATOM 1717 O PHE B 57 -12.953 -3.650 0.648 1.00 2.06 O ATOM 1718 CB PHE B 57 -9.824 -3.159 0.552 1.00 1.04 C ATOM 1719 CG PHE B 57 -8.623 -2.735 1.351 1.00 0.92 C ATOM 1720 CD1 PHE B 57 -8.746 -1.794 2.357 1.00 1.49 C ATOM 1721 CD2 PHE B 57 -7.364 -3.233 1.058 1.00 1.47 C ATOM 1722 CE1 PHE B 57 -7.638 -1.363 3.060 1.00 1.50 C ATOM 1723 CE2 PHE B 57 -6.250 -2.794 1.750 1.00 1.47 C ATOM 1724 CZ PHE B 57 -6.388 -1.858 2.752 1.00 0.92 C ATOM 0 H PHE B 57 -9.174 -5.540 0.576 1.00 0.76 H new ATOM 0 HA PHE B 57 -10.927 -3.966 2.219 1.00 1.05 H new ATOM 0 HB2 PHE B 57 -9.484 -3.517 -0.420 1.00 1.04 H new ATOM 0 HB3 PHE B 57 -10.445 -2.282 0.369 1.00 1.04 H new ATOM 0 HD1 PHE B 57 -9.719 -1.392 2.596 1.00 1.49 H new ATOM 0 HD2 PHE B 57 -7.251 -3.973 0.280 1.00 1.47 H new ATOM 0 HE1 PHE B 57 -7.751 -0.637 3.852 1.00 1.50 H new ATOM 0 HE2 PHE B 57 -5.273 -3.184 1.505 1.00 1.47 H new ATOM 0 HZ PHE B 57 -5.520 -1.513 3.294 1.00 0.92 H new ATOM 1734 N GLY B 58 -11.996 -5.311 -0.536 1.00 1.71 N ATOM 1735 CA GLY B 58 -13.145 -5.494 -1.398 1.00 2.29 C ATOM 1736 C GLY B 58 -13.263 -4.381 -2.416 1.00 2.05 C ATOM 1737 O GLY B 58 -14.357 -3.884 -2.680 1.00 2.60 O ATOM 0 H GLY B 58 -11.224 -5.953 -0.715 1.00 1.71 H new ATOM 0 HA2 GLY B 58 -13.065 -6.451 -1.913 1.00 2.29 H new ATOM 0 HA3 GLY B 58 -14.051 -5.532 -0.794 1.00 2.29 H new ATOM 1741 N VAL B 59 -12.132 -3.991 -2.992 1.00 1.35 N ATOM 1742 CA VAL B 59 -12.091 -2.858 -3.908 1.00 1.13 C ATOM 1743 C VAL B 59 -11.759 -3.292 -5.324 1.00 1.04 C ATOM 1744 O VAL B 59 -11.105 -4.313 -5.535 1.00 1.22 O ATOM 1745 CB VAL B 59 -11.071 -1.798 -3.457 1.00 0.93 C ATOM 1746 CG1 VAL B 59 -11.510 -1.169 -2.153 1.00 1.23 C ATOM 1747 CG2 VAL B 59 -9.681 -2.403 -3.313 1.00 1.00 C ATOM 0 H VAL B 59 -11.230 -4.443 -2.841 1.00 1.35 H new ATOM 0 HA VAL B 59 -13.089 -2.420 -3.895 1.00 1.13 H new ATOM 0 HB VAL B 59 -11.024 -1.024 -4.223 1.00 0.93 H new ATOM 0 HG11 VAL B 59 -10.779 -0.421 -1.846 1.00 1.23 H new ATOM 0 HG12 VAL B 59 -12.482 -0.693 -2.287 1.00 1.23 H new ATOM 0 HG13 VAL B 59 -11.586 -1.939 -1.385 1.00 1.23 H new ATOM 0 HG21 VAL B 59 -8.980 -1.632 -2.993 1.00 1.00 H new ATOM 0 HG22 VAL B 59 -9.707 -3.201 -2.571 1.00 1.00 H new ATOM 0 HG23 VAL B 59 -9.360 -2.810 -4.272 1.00 1.00 H new ATOM 1757 N THR B 60 -12.227 -2.511 -6.286 1.00 1.17 N ATOM 1758 CA THR B 60 -12.009 -2.796 -7.693 1.00 1.30 C ATOM 1759 C THR B 60 -11.759 -1.499 -8.475 1.00 1.16 C ATOM 1760 O THR B 60 -11.585 -0.437 -7.874 1.00 1.14 O ATOM 1761 CB THR B 60 -13.205 -3.549 -8.308 1.00 1.94 C ATOM 1762 OG1 THR B 60 -14.419 -2.831 -8.052 1.00 2.24 O ATOM 1763 CG2 THR B 60 -13.320 -4.960 -7.752 1.00 2.38 C ATOM 0 H THR B 60 -12.767 -1.664 -6.112 1.00 1.17 H new ATOM 0 HA THR B 60 -11.128 -3.434 -7.763 1.00 1.30 H new ATOM 0 HB THR B 60 -13.038 -3.619 -9.383 1.00 1.94 H new ATOM 0 HG1 THR B 60 -15.168 -3.289 -8.488 1.00 2.24 H new ATOM 0 HG21 THR B 60 -14.174 -5.462 -8.207 1.00 2.38 H new ATOM 0 HG22 THR B 60 -12.410 -5.515 -7.978 1.00 2.38 H new ATOM 0 HG23 THR B 60 -13.459 -4.915 -6.672 1.00 2.38 H new ATOM 1771 N VAL B 61 -11.747 -1.585 -9.806 1.00 1.40 N ATOM 1772 CA VAL B 61 -11.541 -0.417 -10.681 1.00 1.59 C ATOM 1773 C VAL B 61 -12.615 0.678 -10.461 1.00 1.83 C ATOM 1774 O VAL B 61 -12.484 1.827 -10.920 1.00 2.11 O ATOM 1775 CB VAL B 61 -11.520 -0.866 -12.162 1.00 1.80 C ATOM 1776 CG1 VAL B 61 -12.854 -1.475 -12.561 1.00 2.21 C ATOM 1777 CG2 VAL B 61 -11.151 0.278 -13.093 1.00 1.95 C ATOM 0 H VAL B 61 -11.879 -2.461 -10.312 1.00 1.40 H new ATOM 0 HA VAL B 61 -10.579 0.024 -10.421 1.00 1.59 H new ATOM 0 HB VAL B 61 -10.748 -1.630 -12.260 1.00 1.80 H new ATOM 0 HG11 VAL B 61 -12.815 -1.783 -13.606 1.00 2.21 H new ATOM 0 HG12 VAL B 61 -13.060 -2.343 -11.934 1.00 2.21 H new ATOM 0 HG13 VAL B 61 -13.645 -0.737 -12.429 1.00 2.21 H new ATOM 0 HG21 VAL B 61 -11.147 -0.078 -14.123 1.00 1.95 H new ATOM 0 HG22 VAL B 61 -11.880 1.081 -12.989 1.00 1.95 H new ATOM 0 HG23 VAL B 61 -10.160 0.652 -12.835 1.00 1.95 H new ATOM 1787 N GLU B 62 -13.664 0.332 -9.724 1.00 1.89 N ATOM 1788 CA GLU B 62 -14.706 1.291 -9.372 1.00 2.15 C ATOM 1789 C GLU B 62 -14.108 2.496 -8.639 1.00 1.63 C ATOM 1790 O GLU B 62 -14.684 3.589 -8.635 1.00 1.65 O ATOM 1791 CB GLU B 62 -15.765 0.620 -8.496 1.00 2.86 C ATOM 1792 CG GLU B 62 -16.398 -0.608 -9.130 1.00 3.13 C ATOM 1793 CD GLU B 62 -17.088 -0.301 -10.440 1.00 3.56 C ATOM 1794 OE1 GLU B 62 -18.231 0.202 -10.410 1.00 4.00 O ATOM 1795 OE2 GLU B 62 -16.492 -0.555 -11.506 1.00 3.97 O ATOM 0 H GLU B 62 -13.816 -0.608 -9.358 1.00 1.89 H new ATOM 0 HA GLU B 62 -15.174 1.642 -10.292 1.00 2.15 H new ATOM 0 HB2 GLU B 62 -15.310 0.334 -7.547 1.00 2.86 H new ATOM 0 HB3 GLU B 62 -16.547 1.344 -8.269 1.00 2.86 H new ATOM 0 HG2 GLU B 62 -15.629 -1.362 -9.298 1.00 3.13 H new ATOM 0 HG3 GLU B 62 -17.120 -1.038 -8.436 1.00 3.13 H new ATOM 1802 N ASP B 63 -12.942 2.297 -8.032 1.00 1.36 N ATOM 1803 CA ASP B 63 -12.256 3.379 -7.338 1.00 1.61 C ATOM 1804 C ASP B 63 -11.731 4.409 -8.340 1.00 1.59 C ATOM 1805 O ASP B 63 -11.595 5.580 -8.013 1.00 1.93 O ATOM 1806 CB ASP B 63 -11.114 2.844 -6.478 1.00 1.89 C ATOM 1807 CG ASP B 63 -10.582 3.890 -5.512 1.00 2.88 C ATOM 1808 OD1 ASP B 63 -9.677 4.663 -5.895 1.00 3.62 O ATOM 1809 OD2 ASP B 63 -11.080 3.936 -4.367 1.00 3.35 O ATOM 0 H ASP B 63 -12.455 1.401 -8.007 1.00 1.36 H new ATOM 0 HA ASP B 63 -12.975 3.866 -6.680 1.00 1.61 H new ATOM 0 HB2 ASP B 63 -11.460 1.976 -5.916 1.00 1.89 H new ATOM 0 HB3 ASP B 63 -10.304 2.503 -7.124 1.00 1.89 H new ATOM 1814 N SER B 64 -11.461 3.974 -9.573 1.00 1.56 N ATOM 1815 CA SER B 64 -11.086 4.902 -10.640 1.00 1.82 C ATOM 1816 C SER B 64 -12.250 5.819 -10.963 1.00 1.73 C ATOM 1817 O SER B 64 -12.058 6.974 -11.345 1.00 1.91 O ATOM 1818 CB SER B 64 -10.654 4.164 -11.912 1.00 2.42 C ATOM 1819 OG SER B 64 -9.269 3.860 -11.895 1.00 2.92 O ATOM 0 H SER B 64 -11.495 2.994 -9.855 1.00 1.56 H new ATOM 0 HA SER B 64 -10.238 5.486 -10.282 1.00 1.82 H new ATOM 0 HB2 SER B 64 -11.228 3.243 -12.011 1.00 2.42 H new ATOM 0 HB3 SER B 64 -10.882 4.777 -12.784 1.00 2.42 H new ATOM 0 HG SER B 64 -9.116 3.063 -11.346 1.00 2.92 H new ATOM 1825 N ASP B 65 -13.464 5.298 -10.819 1.00 1.68 N ATOM 1826 CA ASP B 65 -14.660 6.127 -11.002 1.00 2.03 C ATOM 1827 C ASP B 65 -14.695 7.259 -9.977 1.00 1.91 C ATOM 1828 O ASP B 65 -15.193 8.351 -10.257 1.00 2.28 O ATOM 1829 CB ASP B 65 -15.945 5.302 -10.905 1.00 2.26 C ATOM 1830 CG ASP B 65 -16.140 4.381 -12.089 1.00 2.89 C ATOM 1831 OD1 ASP B 65 -15.956 4.831 -13.238 1.00 3.35 O ATOM 1832 OD2 ASP B 65 -16.486 3.202 -11.879 1.00 3.46 O ATOM 0 H ASP B 65 -13.649 4.324 -10.580 1.00 1.68 H new ATOM 0 HA ASP B 65 -14.605 6.551 -12.005 1.00 2.03 H new ATOM 0 HB2 ASP B 65 -15.923 4.710 -9.990 1.00 2.26 H new ATOM 0 HB3 ASP B 65 -16.799 5.975 -10.829 1.00 2.26 H new ATOM 1837 N LEU B 66 -14.167 6.995 -8.791 1.00 1.52 N ATOM 1838 CA LEU B 66 -14.078 8.013 -7.745 1.00 1.62 C ATOM 1839 C LEU B 66 -12.628 8.457 -7.515 1.00 1.45 C ATOM 1840 O LEU B 66 -12.299 8.906 -6.424 1.00 1.72 O ATOM 1841 CB LEU B 66 -14.727 7.515 -6.433 1.00 1.77 C ATOM 1842 CG LEU B 66 -14.245 6.163 -5.889 1.00 1.59 C ATOM 1843 CD1 LEU B 66 -13.037 6.333 -4.980 1.00 1.87 C ATOM 1844 CD2 LEU B 66 -15.366 5.459 -5.137 1.00 1.57 C ATOM 0 H LEU B 66 -13.792 6.084 -8.525 1.00 1.52 H new ATOM 0 HA LEU B 66 -14.635 8.886 -8.084 1.00 1.62 H new ATOM 0 HB2 LEU B 66 -14.559 8.269 -5.664 1.00 1.77 H new ATOM 0 HB3 LEU B 66 -15.804 7.453 -6.589 1.00 1.77 H new ATOM 0 HG LEU B 66 -13.949 5.550 -6.741 1.00 1.59 H new ATOM 0 HD11 LEU B 66 -12.719 5.358 -4.611 1.00 1.87 H new ATOM 0 HD12 LEU B 66 -12.222 6.792 -5.540 1.00 1.87 H new ATOM 0 HD13 LEU B 66 -13.303 6.971 -4.137 1.00 1.87 H new ATOM 0 HD21 LEU B 66 -15.006 4.502 -4.759 1.00 1.57 H new ATOM 0 HD22 LEU B 66 -15.690 6.080 -4.302 1.00 1.57 H new ATOM 0 HD23 LEU B 66 -16.206 5.290 -5.811 1.00 1.57 H new ATOM 1856 N ALA B 67 -11.798 8.360 -8.571 1.00 1.30 N ATOM 1857 CA ALA B 67 -10.325 8.444 -8.472 1.00 1.26 C ATOM 1858 C ALA B 67 -9.798 9.313 -7.313 1.00 1.28 C ATOM 1859 O ALA B 67 -9.865 10.542 -7.290 1.00 1.54 O ATOM 1860 CB ALA B 67 -9.699 8.835 -9.792 1.00 1.48 C ATOM 0 H ALA B 67 -12.132 8.220 -9.525 1.00 1.30 H new ATOM 0 HA ALA B 67 -10.007 7.431 -8.223 1.00 1.26 H new ATOM 0 HB1 ALA B 67 -8.616 8.887 -9.680 1.00 1.48 H new ATOM 0 HB2 ALA B 67 -9.951 8.092 -10.548 1.00 1.48 H new ATOM 0 HB3 ALA B 67 -10.079 9.809 -10.100 1.00 1.48 H new ATOM 1866 N LEU B 68 -9.265 8.559 -6.399 1.00 1.16 N ATOM 1867 CA LEU B 68 -8.885 8.861 -5.038 1.00 1.29 C ATOM 1868 C LEU B 68 -7.431 8.399 -4.880 1.00 1.56 C ATOM 1869 O LEU B 68 -6.669 8.575 -5.807 1.00 1.55 O ATOM 1870 CB LEU B 68 -9.850 8.179 -4.083 1.00 1.25 C ATOM 1871 CG LEU B 68 -10.825 9.107 -3.348 1.00 1.19 C ATOM 1872 CD1 LEU B 68 -10.257 9.478 -2.008 1.00 1.21 C ATOM 1873 CD2 LEU B 68 -11.073 10.378 -4.126 1.00 1.18 C ATOM 0 H LEU B 68 -9.056 7.584 -6.614 1.00 1.16 H new ATOM 0 HA LEU B 68 -8.940 9.924 -4.805 1.00 1.29 H new ATOM 0 HB2 LEU B 68 -10.429 7.445 -4.643 1.00 1.25 H new ATOM 0 HB3 LEU B 68 -9.271 7.630 -3.341 1.00 1.25 H new ATOM 0 HG LEU B 68 -11.767 8.571 -3.235 1.00 1.19 H new ATOM 0 HD11 LEU B 68 -10.952 10.137 -1.488 1.00 1.21 H new ATOM 0 HD12 LEU B 68 -10.101 8.576 -1.416 1.00 1.21 H new ATOM 0 HD13 LEU B 68 -9.305 9.990 -2.146 1.00 1.21 H new ATOM 0 HD21 LEU B 68 -11.768 11.012 -3.576 1.00 1.18 H new ATOM 0 HD22 LEU B 68 -10.131 10.909 -4.266 1.00 1.18 H new ATOM 0 HD23 LEU B 68 -11.499 10.132 -5.099 1.00 1.18 H new ATOM 1885 N PRO B 69 -6.975 8.109 -3.656 1.00 1.93 N ATOM 1886 CA PRO B 69 -5.935 7.098 -3.356 1.00 2.36 C ATOM 1887 C PRO B 69 -5.785 5.926 -4.379 1.00 2.25 C ATOM 1888 O PRO B 69 -5.308 4.854 -4.045 1.00 2.62 O ATOM 1889 CB PRO B 69 -6.383 6.579 -1.989 1.00 2.75 C ATOM 1890 CG PRO B 69 -7.438 7.537 -1.534 1.00 2.57 C ATOM 1891 CD PRO B 69 -7.286 8.743 -2.417 1.00 2.06 C ATOM 0 HA PRO B 69 -4.943 7.547 -3.397 1.00 2.36 H new ATOM 0 HB2 PRO B 69 -6.776 5.565 -2.062 1.00 2.75 H new ATOM 0 HB3 PRO B 69 -5.550 6.548 -1.287 1.00 2.75 H new ATOM 0 HG2 PRO B 69 -8.433 7.102 -1.631 1.00 2.57 H new ATOM 0 HG3 PRO B 69 -7.305 7.799 -0.484 1.00 2.57 H new ATOM 0 HD2 PRO B 69 -8.198 9.337 -2.471 1.00 2.06 H new ATOM 0 HD3 PRO B 69 -6.492 9.409 -2.079 1.00 2.06 H new ATOM 1899 N GLN B 70 -6.283 6.164 -5.580 1.00 1.85 N ATOM 1900 CA GLN B 70 -5.985 5.410 -6.795 1.00 1.82 C ATOM 1901 C GLN B 70 -4.495 5.570 -7.035 1.00 1.41 C ATOM 1902 O GLN B 70 -3.832 6.053 -6.126 1.00 1.29 O ATOM 1903 CB GLN B 70 -6.653 6.121 -7.961 1.00 1.93 C ATOM 1904 CG GLN B 70 -6.017 7.505 -8.198 1.00 1.65 C ATOM 1905 CD GLN B 70 -6.304 8.123 -9.558 1.00 2.18 C ATOM 1906 OE1 GLN B 70 -6.388 9.346 -9.679 1.00 2.66 O ATOM 1907 NE2 GLN B 70 -6.425 7.305 -10.595 1.00 2.76 N ATOM 0 H GLN B 70 -6.940 6.926 -5.747 1.00 1.85 H new ATOM 0 HA GLN B 70 -6.307 4.373 -6.706 1.00 1.82 H new ATOM 0 HB2 GLN B 70 -6.561 5.515 -8.862 1.00 1.93 H new ATOM 0 HB3 GLN B 70 -7.718 6.235 -7.761 1.00 1.93 H new ATOM 0 HG2 GLN B 70 -6.370 8.187 -7.425 1.00 1.65 H new ATOM 0 HG3 GLN B 70 -4.937 7.417 -8.077 1.00 1.65 H new ATOM 0 HE21 GLN B 70 -6.350 6.297 -10.461 1.00 2.76 H new ATOM 0 HE22 GLN B 70 -6.593 7.684 -11.527 1.00 2.76 H new ATOM 1916 N THR B 71 -3.911 5.204 -8.189 1.00 1.34 N ATOM 1917 CA THR B 71 -2.501 4.934 -8.155 1.00 1.13 C ATOM 1918 C THR B 71 -1.786 6.156 -7.631 1.00 0.85 C ATOM 1919 O THR B 71 -1.937 7.276 -8.117 1.00 0.83 O ATOM 1920 CB THR B 71 -2.066 4.808 -9.630 1.00 1.22 C ATOM 1921 OG1 THR B 71 -3.225 4.615 -10.463 1.00 1.53 O ATOM 1922 CG2 THR B 71 -1.110 3.672 -9.845 1.00 1.55 C ATOM 0 H THR B 71 -4.373 5.098 -9.092 1.00 1.34 H new ATOM 0 HA THR B 71 -2.284 4.055 -7.548 1.00 1.13 H new ATOM 0 HB THR B 71 -1.553 5.732 -9.897 1.00 1.22 H new ATOM 0 HG1 THR B 71 -2.946 4.537 -11.399 1.00 1.53 H new ATOM 0 HG21 THR B 71 -0.833 3.624 -10.898 1.00 1.55 H new ATOM 0 HG22 THR B 71 -0.216 3.830 -9.241 1.00 1.55 H new ATOM 0 HG23 THR B 71 -1.585 2.736 -9.552 1.00 1.55 H new ATOM 1930 N LEU B 72 -0.981 5.885 -6.628 1.00 0.80 N ATOM 1931 CA LEU B 72 -0.261 6.902 -5.942 1.00 0.66 C ATOM 1932 C LEU B 72 1.116 7.191 -6.477 1.00 0.66 C ATOM 1933 O LEU B 72 1.509 8.300 -6.379 1.00 0.67 O ATOM 1934 CB LEU B 72 -0.236 6.708 -4.440 1.00 0.78 C ATOM 1935 CG LEU B 72 -1.191 7.642 -3.694 1.00 0.97 C ATOM 1936 CD1 LEU B 72 -2.598 7.094 -3.652 1.00 1.47 C ATOM 1937 CD2 LEU B 72 -0.673 7.957 -2.301 1.00 1.79 C ATOM 0 H LEU B 72 -0.815 4.943 -6.273 1.00 0.80 H new ATOM 0 HA LEU B 72 -0.846 7.797 -6.154 1.00 0.66 H new ATOM 0 HB2 LEU B 72 -0.495 5.675 -4.210 1.00 0.78 H new ATOM 0 HB3 LEU B 72 0.779 6.871 -4.076 1.00 0.78 H new ATOM 0 HG LEU B 72 -1.232 8.577 -4.252 1.00 0.97 H new ATOM 0 HD11 LEU B 72 -3.243 7.788 -3.113 1.00 1.47 H new ATOM 0 HD12 LEU B 72 -2.970 6.968 -4.669 1.00 1.47 H new ATOM 0 HD13 LEU B 72 -2.598 6.130 -3.144 1.00 1.47 H new ATOM 0 HD21 LEU B 72 -1.372 8.623 -1.795 1.00 1.79 H new ATOM 0 HD22 LEU B 72 -0.575 7.033 -1.732 1.00 1.79 H new ATOM 0 HD23 LEU B 72 0.300 8.442 -2.376 1.00 1.79 H new ATOM 1949 N PRO B 73 1.894 6.216 -6.997 1.00 0.75 N ATOM 1950 CA PRO B 73 3.317 6.416 -7.340 1.00 0.84 C ATOM 1951 C PRO B 73 3.718 7.847 -7.782 1.00 0.80 C ATOM 1952 O PRO B 73 4.805 8.308 -7.441 1.00 0.82 O ATOM 1953 CB PRO B 73 3.497 5.396 -8.446 1.00 1.03 C ATOM 1954 CG PRO B 73 2.741 4.235 -7.908 1.00 1.06 C ATOM 1955 CD PRO B 73 1.499 4.823 -7.294 1.00 0.84 C ATOM 0 HA PRO B 73 3.966 6.289 -6.473 1.00 0.84 H new ATOM 0 HB2 PRO B 73 3.091 5.745 -9.395 1.00 1.03 H new ATOM 0 HB3 PRO B 73 4.547 5.158 -8.617 1.00 1.03 H new ATOM 0 HG2 PRO B 73 2.492 3.527 -8.698 1.00 1.06 H new ATOM 0 HG3 PRO B 73 3.328 3.692 -7.167 1.00 1.06 H new ATOM 0 HD2 PRO B 73 0.653 4.782 -7.980 1.00 0.84 H new ATOM 0 HD3 PRO B 73 1.204 4.287 -6.392 1.00 0.84 H new ATOM 1963 N GLU B 74 2.846 8.551 -8.509 1.00 0.78 N ATOM 1964 CA GLU B 74 3.059 9.975 -8.806 1.00 0.78 C ATOM 1965 C GLU B 74 2.625 10.838 -7.595 1.00 0.64 C ATOM 1966 O GLU B 74 3.417 11.619 -7.073 1.00 0.64 O ATOM 1967 CB GLU B 74 2.278 10.359 -10.069 1.00 0.86 C ATOM 1968 CG GLU B 74 2.874 11.518 -10.855 1.00 1.21 C ATOM 1969 CD GLU B 74 2.722 12.852 -10.164 1.00 1.47 C ATOM 1970 OE1 GLU B 74 1.604 13.402 -10.167 1.00 1.67 O ATOM 1971 OE2 GLU B 74 3.719 13.366 -9.623 1.00 2.27 O ATOM 0 H GLU B 74 1.989 8.163 -8.902 1.00 0.78 H new ATOM 0 HA GLU B 74 4.118 10.158 -8.988 1.00 0.78 H new ATOM 0 HB2 GLU B 74 2.217 9.488 -10.721 1.00 0.86 H new ATOM 0 HB3 GLU B 74 1.258 10.616 -9.785 1.00 0.86 H new ATOM 0 HG2 GLU B 74 3.933 11.325 -11.027 1.00 1.21 H new ATOM 0 HG3 GLU B 74 2.396 11.567 -11.834 1.00 1.21 H new ATOM 1978 N ILE B 75 1.363 10.677 -7.158 1.00 0.58 N ATOM 1979 CA ILE B 75 0.866 11.258 -5.888 1.00 0.53 C ATOM 1980 C ILE B 75 1.879 11.046 -4.757 1.00 0.49 C ATOM 1981 O ILE B 75 2.254 11.975 -4.049 1.00 0.53 O ATOM 1982 CB ILE B 75 -0.449 10.574 -5.425 1.00 0.60 C ATOM 1983 CG1 ILE B 75 -1.564 10.657 -6.473 1.00 0.74 C ATOM 1984 CG2 ILE B 75 -0.937 11.151 -4.094 1.00 0.68 C ATOM 1985 CD1 ILE B 75 -2.849 10.009 -6.010 1.00 1.37 C ATOM 0 H ILE B 75 0.659 10.144 -7.669 1.00 0.58 H new ATOM 0 HA ILE B 75 0.703 12.318 -6.084 1.00 0.53 H new ATOM 0 HB ILE B 75 -0.208 9.520 -5.289 1.00 0.60 H new ATOM 0 HG12 ILE B 75 -1.755 11.703 -6.712 1.00 0.74 H new ATOM 0 HG13 ILE B 75 -1.230 10.176 -7.392 1.00 0.74 H new ATOM 0 HG21 ILE B 75 -1.859 10.651 -3.797 1.00 0.68 H new ATOM 0 HG22 ILE B 75 -0.177 10.994 -3.329 1.00 0.68 H new ATOM 0 HG23 ILE B 75 -1.123 12.219 -4.207 1.00 0.68 H new ATOM 0 HD11 ILE B 75 -3.603 10.098 -6.792 1.00 1.37 H new ATOM 0 HD12 ILE B 75 -2.669 8.955 -5.797 1.00 1.37 H new ATOM 0 HD13 ILE B 75 -3.202 10.506 -5.107 1.00 1.37 H new ATOM 1997 N PHE B 76 2.290 9.795 -4.604 1.00 0.50 N ATOM 1998 CA PHE B 76 3.204 9.365 -3.568 1.00 0.56 C ATOM 1999 C PHE B 76 4.544 10.037 -3.734 1.00 0.59 C ATOM 2000 O PHE B 76 5.106 10.522 -2.774 1.00 0.72 O ATOM 2001 CB PHE B 76 3.383 7.844 -3.605 1.00 0.65 C ATOM 2002 CG PHE B 76 3.106 7.194 -2.286 1.00 2.06 C ATOM 2003 CD1 PHE B 76 3.721 7.657 -1.139 1.00 2.34 C ATOM 2004 CD2 PHE B 76 2.217 6.138 -2.186 1.00 2.12 C ATOM 2005 CE1 PHE B 76 3.453 7.083 0.080 1.00 2.35 C ATOM 2006 CE2 PHE B 76 1.945 5.559 -0.970 1.00 2.24 C ATOM 2007 CZ PHE B 76 2.562 6.033 0.166 1.00 2.37 C ATOM 0 H PHE B 76 1.987 9.036 -5.214 1.00 0.50 H new ATOM 0 HA PHE B 76 2.781 9.648 -2.604 1.00 0.56 H new ATOM 0 HB2 PHE B 76 2.718 7.423 -4.359 1.00 0.65 H new ATOM 0 HB3 PHE B 76 4.402 7.610 -3.913 1.00 0.65 H new ATOM 0 HD1 PHE B 76 4.419 8.478 -1.201 1.00 2.34 H new ATOM 0 HD2 PHE B 76 1.731 5.764 -3.075 1.00 2.12 H new ATOM 0 HE1 PHE B 76 3.939 7.453 0.970 1.00 2.35 H new ATOM 0 HE2 PHE B 76 1.250 4.735 -0.905 1.00 2.24 H new ATOM 0 HZ PHE B 76 2.349 5.583 1.124 1.00 2.37 H new ATOM 2017 N GLU B 77 5.038 10.083 -4.964 1.00 0.62 N ATOM 2018 CA GLU B 77 6.307 10.741 -5.261 1.00 0.73 C ATOM 2019 C GLU B 77 6.276 12.174 -4.737 1.00 0.69 C ATOM 2020 O GLU B 77 7.302 12.755 -4.376 1.00 0.79 O ATOM 2021 CB GLU B 77 6.546 10.722 -6.771 1.00 0.89 C ATOM 2022 CG GLU B 77 7.930 11.170 -7.195 1.00 1.56 C ATOM 2023 CD GLU B 77 9.034 10.283 -6.652 1.00 1.93 C ATOM 2024 OE1 GLU B 77 9.255 9.189 -7.214 1.00 2.40 O ATOM 2025 OE2 GLU B 77 9.710 10.690 -5.685 1.00 2.51 O ATOM 0 H GLU B 77 4.578 9.671 -5.776 1.00 0.62 H new ATOM 0 HA GLU B 77 7.123 10.211 -4.770 1.00 0.73 H new ATOM 0 HB2 GLU B 77 6.377 9.710 -7.140 1.00 0.89 H new ATOM 0 HB3 GLU B 77 5.807 11.364 -7.251 1.00 0.89 H new ATOM 0 HG2 GLU B 77 7.984 11.182 -8.284 1.00 1.56 H new ATOM 0 HG3 GLU B 77 8.094 12.193 -6.856 1.00 1.56 H new ATOM 2032 N ALA B 78 5.070 12.713 -4.669 1.00 0.60 N ATOM 2033 CA ALA B 78 4.848 14.048 -4.169 1.00 0.61 C ATOM 2034 C ALA B 78 4.683 14.057 -2.644 1.00 0.60 C ATOM 2035 O ALA B 78 5.465 14.696 -1.938 1.00 0.64 O ATOM 2036 CB ALA B 78 3.625 14.635 -4.861 1.00 0.64 C ATOM 0 H ALA B 78 4.220 12.231 -4.961 1.00 0.60 H new ATOM 0 HA ALA B 78 5.720 14.663 -4.392 1.00 0.61 H new ATOM 0 HB1 ALA B 78 3.447 15.645 -4.491 1.00 0.64 H new ATOM 0 HB2 ALA B 78 3.796 14.668 -5.937 1.00 0.64 H new ATOM 0 HB3 ALA B 78 2.755 14.013 -4.651 1.00 0.64 H new ATOM 2042 N ALA B 79 3.681 13.334 -2.142 1.00 0.64 N ATOM 2043 CA ALA B 79 3.406 13.274 -0.701 1.00 0.75 C ATOM 2044 C ALA B 79 4.623 12.807 0.077 1.00 0.86 C ATOM 2045 O ALA B 79 4.870 13.251 1.196 1.00 0.99 O ATOM 2046 CB ALA B 79 2.243 12.336 -0.409 1.00 0.83 C ATOM 0 H ALA B 79 3.043 12.779 -2.712 1.00 0.64 H new ATOM 0 HA ALA B 79 3.148 14.285 -0.384 1.00 0.75 H new ATOM 0 HB1 ALA B 79 2.059 12.308 0.665 1.00 0.83 H new ATOM 0 HB2 ALA B 79 1.350 12.693 -0.921 1.00 0.83 H new ATOM 0 HB3 ALA B 79 2.487 11.334 -0.761 1.00 0.83 H new ATOM 2052 N ALA B 80 5.373 11.909 -0.531 1.00 0.90 N ATOM 2053 CA ALA B 80 6.506 11.280 0.113 1.00 1.11 C ATOM 2054 C ALA B 80 7.652 12.262 0.326 1.00 1.26 C ATOM 2055 O ALA B 80 8.306 12.251 1.370 1.00 1.55 O ATOM 2056 CB ALA B 80 6.972 10.104 -0.727 1.00 1.25 C ATOM 0 H ALA B 80 5.212 11.595 -1.488 1.00 0.90 H new ATOM 0 HA ALA B 80 6.190 10.931 1.096 1.00 1.11 H new ATOM 0 HB1 ALA B 80 7.826 9.628 -0.245 1.00 1.25 H new ATOM 0 HB2 ALA B 80 6.161 9.382 -0.824 1.00 1.25 H new ATOM 0 HB3 ALA B 80 7.264 10.457 -1.716 1.00 1.25 H new ATOM 2062 N THR B 81 7.887 13.113 -0.665 1.00 1.23 N ATOM 2063 CA THR B 81 9.001 14.044 -0.619 1.00 1.46 C ATOM 2064 C THR B 81 8.654 15.293 0.184 1.00 1.63 C ATOM 2065 O THR B 81 9.519 15.881 0.834 1.00 1.88 O ATOM 2066 CB THR B 81 9.448 14.442 -2.037 1.00 1.59 C ATOM 2067 OG1 THR B 81 8.305 14.764 -2.843 1.00 2.33 O ATOM 2068 CG2 THR B 81 10.232 13.316 -2.689 1.00 1.64 C ATOM 0 H THR B 81 7.319 13.176 -1.510 1.00 1.23 H new ATOM 0 HA THR B 81 9.825 13.533 -0.120 1.00 1.46 H new ATOM 0 HB THR B 81 10.092 15.318 -1.959 1.00 1.59 H new ATOM 0 HG1 THR B 81 8.030 13.973 -3.352 1.00 2.33 H new ATOM 0 HG21 THR B 81 10.538 13.618 -3.690 1.00 1.64 H new ATOM 0 HG22 THR B 81 11.116 13.094 -2.091 1.00 1.64 H new ATOM 0 HG23 THR B 81 9.605 12.427 -2.754 1.00 1.64 H new ATOM 2076 N GLY B 82 7.386 15.682 0.154 1.00 1.68 N ATOM 2077 CA GLY B 82 6.950 16.850 0.897 1.00 2.13 C ATOM 2078 C GLY B 82 6.672 16.538 2.355 1.00 1.99 C ATOM 2079 O GLY B 82 5.571 16.784 2.852 1.00 2.59 O ATOM 0 H GLY B 82 6.651 15.210 -0.372 1.00 1.68 H new ATOM 0 HA2 GLY B 82 7.715 17.624 0.833 1.00 2.13 H new ATOM 0 HA3 GLY B 82 6.049 17.254 0.437 1.00 2.13 H new ATOM 2083 N LYS B 83 7.664 15.976 3.033 1.00 1.88 N ATOM 2084 CA LYS B 83 7.551 15.637 4.445 1.00 2.11 C ATOM 2085 C LYS B 83 8.841 15.987 5.166 1.00 2.84 C ATOM 2086 O LYS B 83 8.857 16.998 5.897 1.00 3.19 O ATOM 2087 CB LYS B 83 7.230 14.148 4.634 1.00 2.30 C ATOM 2088 CG LYS B 83 5.862 13.741 4.110 1.00 2.77 C ATOM 2089 CD LYS B 83 4.738 14.393 4.902 1.00 3.43 C ATOM 2090 CE LYS B 83 3.397 14.207 4.216 1.00 3.92 C ATOM 2091 NZ LYS B 83 3.373 14.841 2.871 1.00 4.40 N ATOM 2092 OXT LYS B 83 9.843 15.273 4.977 1.00 3.61 O ATOM 0 H LYS B 83 8.567 15.743 2.621 1.00 1.88 H new ATOM 0 HA LYS B 83 6.731 16.216 4.869 1.00 2.11 H new ATOM 0 HB2 LYS B 83 7.993 13.555 4.129 1.00 2.30 H new ATOM 0 HB3 LYS B 83 7.289 13.906 5.695 1.00 2.30 H new ATOM 0 HG2 LYS B 83 5.777 14.021 3.060 1.00 2.77 H new ATOM 0 HG3 LYS B 83 5.761 12.657 4.160 1.00 2.77 H new ATOM 0 HD2 LYS B 83 4.699 13.963 5.903 1.00 3.43 H new ATOM 0 HD3 LYS B 83 4.944 15.457 5.020 1.00 3.43 H new ATOM 0 HE2 LYS B 83 3.182 13.143 4.120 1.00 3.92 H new ATOM 0 HE3 LYS B 83 2.609 14.637 4.835 1.00 3.92 H new ATOM 0 HZ1 LYS B 83 2.420 15.211 2.679 1.00 4.40 H new ATOM 0 HZ2 LYS B 83 4.060 15.622 2.843 1.00 4.40 H new ATOM 0 HZ3 LYS B 83 3.622 14.134 2.150 1.00 4.40 H new