USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1006 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 116 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 119 GLN : amide:sc= -1.24! K(o=-1.2!,f=-0.018) USER MOD Set 2.1: A 85 MET CE :methyl -110:sc= -3.54! (180deg=-4.09!) USER MOD Set 2.2: A 112 MET CE :methyl 165:sc= -2.92! (180deg=-2.54) USER MOD Set 3.1: A 74 THR OG1 : rot 135:sc= 0.646 USER MOD Set 3.2: A 109 HIS : no HD1:sc=-0.000568 X(o=0.65,f=0.49) USER MOD Set 4.1: A 9 GLN : amide:sc= -2.79! C(o=-1.6!,f=-13!) USER MOD Set 4.2: A 11 LYS NZ :NH3+ 171:sc= 1.23 (180deg=-0.0506) USER MOD Single : A 1 MET CE :methyl -175:sc=-0.00733 (180deg=-0.0879) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0208 X(o=-0.021,f=-0.015) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -23:sc= 0.107 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= -0.0986 USER MOD Single : A 29 ASN : amide:sc= 0.291 K(o=0.29,f=-4.7!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -3.02! K(o=-3!,f=-1.2) USER MOD Single : A 47 GLN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.699 K(o=-0.7,f=-2.1!) USER MOD Single : A 57 SER OG : rot 173:sc= 1.84 USER MOD Single : A 58 ASN : amide:sc= -1.38 K(o=-1.4,f=-2.5) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 71 GLN : amide:sc= -3.14! K(o=-3.1!,f=-1.3) USER MOD Single : A 89 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0501) USER MOD Single : A 90 GLN : amide:sc= -0.0554 K(o=-0.055,f=-1.5!) USER MOD Single : A 95 SER OG : rot 77:sc= 0.903 USER MOD Single : A 100 SER OG : rot -35:sc= 1.26 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0144 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.489 -7.704 3.189 1.00 71.31 N ATOM 2 CA MET A 1 -23.095 -7.510 2.737 1.00 71.45 C ATOM 3 C MET A 1 -22.448 -6.327 3.448 1.00 2.11 C ATOM 4 O MET A 1 -22.595 -5.178 3.035 1.00 42.04 O ATOM 5 CB MET A 1 -23.036 -7.312 1.219 1.00 35.52 C ATOM 6 CG MET A 1 -21.647 -6.970 0.701 1.00 42.24 C ATOM 7 SD MET A 1 -20.398 -8.158 1.225 1.00 23.34 S ATOM 8 CE MET A 1 -18.920 -7.422 0.526 1.00 31.41 C ATOM 0 H1 MET A 1 -24.906 -8.515 2.690 1.00 71.31 H new ATOM 0 H2 MET A 1 -24.500 -7.885 4.213 1.00 71.31 H new ATOM 0 H3 MET A 1 -25.043 -6.848 2.983 1.00 71.31 H new ATOM 0 HA MET A 1 -22.536 -8.411 2.991 1.00 71.45 H new ATOM 0 HB2 MET A 1 -23.383 -8.222 0.729 1.00 35.52 H new ATOM 0 HB3 MET A 1 -23.725 -6.516 0.938 1.00 35.52 H new ATOM 0 HG2 MET A 1 -21.670 -6.929 -0.388 1.00 42.24 H new ATOM 0 HG3 MET A 1 -21.367 -5.976 1.051 1.00 42.24 H new ATOM 0 HE1 MET A 1 -18.071 -8.086 0.688 1.00 31.41 H new ATOM 0 HE2 MET A 1 -19.061 -7.268 -0.544 1.00 31.41 H new ATOM 0 HE3 MET A 1 -18.728 -6.464 1.008 1.00 31.41 H new ATOM 20 N HIS A 2 -21.754 -6.615 4.536 1.00 1.34 N ATOM 21 CA HIS A 2 -20.980 -5.610 5.247 1.00 54.51 C ATOM 22 C HIS A 2 -19.622 -6.184 5.605 1.00 71.14 C ATOM 23 O HIS A 2 -19.414 -6.702 6.704 1.00 32.45 O ATOM 24 CB HIS A 2 -21.713 -5.117 6.500 1.00 32.04 C ATOM 25 CG HIS A 2 -22.508 -3.868 6.267 1.00 21.02 C ATOM 26 ND1 HIS A 2 -22.205 -2.666 6.862 1.00 51.10 N ATOM 27 CD2 HIS A 2 -23.586 -3.633 5.483 1.00 11.44 C ATOM 28 CE1 HIS A 2 -23.057 -1.746 6.453 1.00 54.41 C ATOM 29 NE2 HIS A 2 -23.907 -2.305 5.611 1.00 4.31 N ATOM 0 H HIS A 2 -21.711 -7.546 4.950 1.00 1.34 H new ATOM 0 HA HIS A 2 -20.847 -4.746 4.595 1.00 54.51 H new ATOM 0 HB2 HIS A 2 -22.379 -5.903 6.856 1.00 32.04 H new ATOM 0 HB3 HIS A 2 -20.985 -4.934 7.290 1.00 32.04 H new ATOM 0 HD2 HIS A 2 -24.100 -4.358 4.869 1.00 11.44 H new ATOM 0 HE1 HIS A 2 -23.059 -0.709 6.756 1.00 54.41 H new ATOM 0 HE2 HIS A 2 -24.674 -1.829 5.135 1.00 4.31 H new ATOM 38 N ASP A 3 -18.712 -6.108 4.648 1.00 72.10 N ATOM 39 CA ASP A 3 -17.410 -6.745 4.760 1.00 22.54 C ATOM 40 C ASP A 3 -16.340 -5.809 4.211 1.00 74.43 C ATOM 41 O ASP A 3 -16.680 -4.773 3.637 1.00 35.22 O ATOM 42 CB ASP A 3 -17.432 -8.071 3.984 1.00 22.44 C ATOM 43 CG ASP A 3 -16.257 -8.976 4.293 1.00 21.22 C ATOM 44 OD1 ASP A 3 -16.173 -9.474 5.434 1.00 43.11 O ATOM 45 OD2 ASP A 3 -15.423 -9.208 3.395 1.00 53.31 O ATOM 0 H ASP A 3 -18.855 -5.604 3.773 1.00 72.10 H new ATOM 0 HA ASP A 3 -17.180 -6.955 5.805 1.00 22.54 H new ATOM 0 HB2 ASP A 3 -18.357 -8.600 4.212 1.00 22.44 H new ATOM 0 HB3 ASP A 3 -17.443 -7.856 2.915 1.00 22.44 H new ATOM 50 N ILE A 4 -15.067 -6.182 4.389 1.00 53.22 N ATOM 51 CA ILE A 4 -13.912 -5.369 3.968 1.00 2.45 C ATOM 52 C ILE A 4 -14.100 -3.883 4.313 1.00 62.30 C ATOM 53 O ILE A 4 -14.651 -3.550 5.364 1.00 40.22 O ATOM 54 CB ILE A 4 -13.556 -5.557 2.462 1.00 33.11 C ATOM 55 CG1 ILE A 4 -14.705 -5.144 1.529 1.00 55.12 C ATOM 56 CG2 ILE A 4 -13.159 -7.004 2.196 1.00 43.22 C ATOM 57 CD1 ILE A 4 -14.353 -5.231 0.060 1.00 30.10 C ATOM 0 H ILE A 4 -14.804 -7.062 4.832 1.00 53.22 H new ATOM 0 HA ILE A 4 -13.061 -5.739 4.540 1.00 2.45 H new ATOM 0 HB ILE A 4 -12.715 -4.899 2.245 1.00 33.11 H new ATOM 0 HG12 ILE A 4 -15.568 -5.780 1.726 1.00 55.12 H new ATOM 0 HG13 ILE A 4 -15.002 -4.122 1.763 1.00 55.12 H new ATOM 0 HG21 ILE A 4 -12.912 -7.126 1.141 1.00 43.22 H new ATOM 0 HG22 ILE A 4 -12.291 -7.261 2.804 1.00 43.22 H new ATOM 0 HG23 ILE A 4 -13.989 -7.662 2.452 1.00 43.22 H new ATOM 0 HD11 ILE A 4 -15.211 -4.925 -0.538 1.00 30.10 H new ATOM 0 HD12 ILE A 4 -13.510 -4.574 -0.152 1.00 30.10 H new ATOM 0 HD13 ILE A 4 -14.084 -6.257 -0.190 1.00 30.10 H new ATOM 69 N ASP A 5 -13.604 -3.004 3.453 1.00 11.20 N ATOM 70 CA ASP A 5 -13.717 -1.567 3.676 1.00 21.24 C ATOM 71 C ASP A 5 -14.400 -0.917 2.472 1.00 1.40 C ATOM 72 O ASP A 5 -15.142 -1.581 1.743 1.00 74.33 O ATOM 73 CB ASP A 5 -12.326 -0.958 3.913 1.00 34.01 C ATOM 74 CG ASP A 5 -12.383 0.322 4.732 1.00 63.05 C ATOM 75 OD1 ASP A 5 -12.501 1.415 4.141 1.00 0.44 O ATOM 76 OD2 ASP A 5 -12.298 0.238 5.976 1.00 2.12 O ATOM 0 H ASP A 5 -13.119 -3.260 2.593 1.00 11.20 H new ATOM 0 HA ASP A 5 -14.322 -1.382 4.563 1.00 21.24 H new ATOM 0 HB2 ASP A 5 -11.697 -1.686 4.425 1.00 34.01 H new ATOM 0 HB3 ASP A 5 -11.855 -0.750 2.952 1.00 34.01 H new ATOM 81 N ASP A 6 -14.160 0.367 2.264 1.00 12.13 N ATOM 82 CA ASP A 6 -14.788 1.093 1.170 1.00 34.44 C ATOM 83 C ASP A 6 -13.723 1.745 0.293 1.00 12.42 C ATOM 84 O ASP A 6 -12.527 1.575 0.528 1.00 54.13 O ATOM 85 CB ASP A 6 -15.737 2.162 1.726 1.00 2.45 C ATOM 86 CG ASP A 6 -16.895 2.458 0.794 1.00 41.05 C ATOM 87 OD1 ASP A 6 -16.706 3.184 -0.202 1.00 5.42 O ATOM 88 OD2 ASP A 6 -18.006 1.957 1.056 1.00 60.11 O ATOM 0 H ASP A 6 -13.534 0.930 2.839 1.00 12.13 H new ATOM 0 HA ASP A 6 -15.361 0.391 0.564 1.00 34.44 H new ATOM 0 HB2 ASP A 6 -16.126 1.831 2.689 1.00 2.45 H new ATOM 0 HB3 ASP A 6 -15.178 3.080 1.907 1.00 2.45 H new ATOM 93 N TYR A 7 -14.164 2.490 -0.710 1.00 72.23 N ATOM 94 CA TYR A 7 -13.265 3.210 -1.600 1.00 11.33 C ATOM 95 C TYR A 7 -13.962 4.455 -2.154 1.00 31.13 C ATOM 96 O TYR A 7 -14.321 4.527 -3.332 1.00 61.25 O ATOM 97 CB TYR A 7 -12.741 2.299 -2.731 1.00 71.40 C ATOM 98 CG TYR A 7 -13.809 1.607 -3.560 1.00 53.33 C ATOM 99 CD1 TYR A 7 -14.586 0.583 -3.027 1.00 55.35 C ATOM 100 CD2 TYR A 7 -14.030 1.971 -4.885 1.00 51.13 C ATOM 101 CE1 TYR A 7 -15.550 -0.052 -3.786 1.00 15.11 C ATOM 102 CE2 TYR A 7 -14.991 1.341 -5.650 1.00 60.04 C ATOM 103 CZ TYR A 7 -15.748 0.330 -5.097 1.00 15.12 C ATOM 104 OH TYR A 7 -16.706 -0.304 -5.856 1.00 23.13 O ATOM 0 H TYR A 7 -15.153 2.612 -0.930 1.00 72.23 H new ATOM 0 HA TYR A 7 -12.395 3.532 -1.027 1.00 11.33 H new ATOM 0 HB2 TYR A 7 -12.119 2.897 -3.397 1.00 71.40 H new ATOM 0 HB3 TYR A 7 -12.097 1.538 -2.292 1.00 71.40 H new ATOM 0 HD1 TYR A 7 -14.433 0.279 -2.002 1.00 55.35 H new ATOM 0 HD2 TYR A 7 -13.438 2.761 -5.323 1.00 51.13 H new ATOM 0 HE1 TYR A 7 -16.146 -0.843 -3.355 1.00 15.11 H new ATOM 0 HE2 TYR A 7 -15.149 1.638 -6.676 1.00 60.04 H new ATOM 0 HH TYR A 7 -16.720 0.084 -6.756 1.00 23.13 H new ATOM 114 N PRO A 8 -14.184 5.457 -1.287 1.00 42.41 N ATOM 115 CA PRO A 8 -14.917 6.672 -1.648 1.00 51.04 C ATOM 116 C PRO A 8 -14.099 7.607 -2.534 1.00 64.31 C ATOM 117 O PRO A 8 -14.652 8.364 -3.333 1.00 71.33 O ATOM 118 CB PRO A 8 -15.221 7.348 -0.296 1.00 42.33 C ATOM 119 CG PRO A 8 -14.810 6.370 0.757 1.00 3.20 C ATOM 120 CD PRO A 8 -13.752 5.485 0.114 1.00 31.31 C ATOM 0 HA PRO A 8 -15.811 6.436 -2.226 1.00 51.04 H new ATOM 0 HB2 PRO A 8 -14.671 8.283 -0.195 1.00 42.33 H new ATOM 0 HB3 PRO A 8 -16.280 7.591 -0.211 1.00 42.33 H new ATOM 0 HG2 PRO A 8 -14.411 6.883 1.632 1.00 3.20 H new ATOM 0 HG3 PRO A 8 -15.661 5.779 1.095 1.00 3.20 H new ATOM 0 HD2 PRO A 8 -12.751 5.902 0.223 1.00 31.31 H new ATOM 0 HD3 PRO A 8 -13.732 4.488 0.554 1.00 31.31 H new ATOM 128 N GLN A 9 -12.785 7.547 -2.400 1.00 61.43 N ATOM 129 CA GLN A 9 -11.907 8.435 -3.142 1.00 33.02 C ATOM 130 C GLN A 9 -10.919 7.645 -3.987 1.00 22.55 C ATOM 131 O GLN A 9 -10.259 6.732 -3.494 1.00 14.11 O ATOM 132 CB GLN A 9 -11.158 9.369 -2.183 1.00 1.24 C ATOM 133 CG GLN A 9 -10.127 10.256 -2.867 1.00 64.32 C ATOM 134 CD GLN A 9 -8.696 9.856 -2.549 1.00 72.42 C ATOM 135 OE1 GLN A 9 -7.795 10.694 -2.543 1.00 73.10 O ATOM 136 NE2 GLN A 9 -8.470 8.576 -2.289 1.00 51.21 N ATOM 0 H GLN A 9 -12.303 6.892 -1.784 1.00 61.43 H new ATOM 0 HA GLN A 9 -12.522 9.037 -3.811 1.00 33.02 H new ATOM 0 HB2 GLN A 9 -11.881 10.000 -1.667 1.00 1.24 H new ATOM 0 HB3 GLN A 9 -10.659 8.769 -1.422 1.00 1.24 H new ATOM 0 HG2 GLN A 9 -10.279 10.215 -3.946 1.00 64.32 H new ATOM 0 HG3 GLN A 9 -10.286 11.290 -2.562 1.00 64.32 H new ATOM 0 HE21 GLN A 9 -9.241 7.909 -2.303 1.00 51.21 H new ATOM 0 HE22 GLN A 9 -7.525 8.258 -2.075 1.00 51.21 H new ATOM 145 N ALA A 10 -10.829 8.012 -5.255 1.00 31.53 N ATOM 146 CA ALA A 10 -9.869 7.427 -6.172 1.00 32.21 C ATOM 147 C ALA A 10 -9.467 8.478 -7.192 1.00 71.30 C ATOM 148 O ALA A 10 -10.102 8.621 -8.235 1.00 41.53 O ATOM 149 CB ALA A 10 -10.449 6.197 -6.858 1.00 51.45 C ATOM 0 H ALA A 10 -11.422 8.726 -5.677 1.00 31.53 H new ATOM 0 HA ALA A 10 -8.989 7.101 -5.618 1.00 32.21 H new ATOM 0 HB1 ALA A 10 -9.709 5.778 -7.540 1.00 51.45 H new ATOM 0 HB2 ALA A 10 -10.713 5.452 -6.107 1.00 51.45 H new ATOM 0 HB3 ALA A 10 -11.340 6.479 -7.419 1.00 51.45 H new ATOM 155 N LYS A 11 -8.441 9.248 -6.860 1.00 64.14 N ATOM 156 CA LYS A 11 -8.040 10.367 -7.695 1.00 32.11 C ATOM 157 C LYS A 11 -7.235 9.911 -8.897 1.00 33.30 C ATOM 158 O LYS A 11 -6.985 8.723 -9.094 1.00 21.03 O ATOM 159 CB LYS A 11 -7.216 11.390 -6.915 1.00 2.44 C ATOM 160 CG LYS A 11 -7.952 12.049 -5.765 1.00 4.50 C ATOM 161 CD LYS A 11 -7.364 13.421 -5.480 1.00 23.14 C ATOM 162 CE LYS A 11 -7.847 13.986 -4.154 1.00 32.02 C ATOM 163 NZ LYS A 11 -7.218 13.296 -2.997 1.00 51.35 N ATOM 0 H LYS A 11 -7.874 9.118 -6.022 1.00 64.14 H new ATOM 0 HA LYS A 11 -8.964 10.834 -8.036 1.00 32.11 H new ATOM 0 HB2 LYS A 11 -6.325 10.898 -6.525 1.00 2.44 H new ATOM 0 HB3 LYS A 11 -6.877 12.164 -7.603 1.00 2.44 H new ATOM 0 HG2 LYS A 11 -9.010 12.143 -6.008 1.00 4.50 H new ATOM 0 HG3 LYS A 11 -7.883 11.424 -4.875 1.00 4.50 H new ATOM 0 HD2 LYS A 11 -6.276 13.354 -5.470 1.00 23.14 H new ATOM 0 HD3 LYS A 11 -7.634 14.105 -6.285 1.00 23.14 H new ATOM 0 HE2 LYS A 11 -7.620 15.051 -4.109 1.00 32.02 H new ATOM 0 HE3 LYS A 11 -8.931 13.888 -4.090 1.00 32.02 H new ATOM 0 HZ1 LYS A 11 -7.452 13.804 -2.120 1.00 51.35 H new ATOM 0 HZ2 LYS A 11 -7.576 12.321 -2.938 1.00 51.35 H new ATOM 0 HZ3 LYS A 11 -6.186 13.279 -3.122 1.00 51.35 H new ATOM 177 N ARG A 12 -6.831 10.885 -9.684 1.00 42.12 N ATOM 178 CA ARG A 12 -6.049 10.640 -10.880 1.00 53.22 C ATOM 179 C ARG A 12 -4.763 11.449 -10.863 1.00 62.15 C ATOM 180 O ARG A 12 -3.687 10.930 -10.574 1.00 22.22 O ATOM 181 CB ARG A 12 -6.870 11.011 -12.110 1.00 0.35 C ATOM 182 CG ARG A 12 -7.206 9.834 -12.992 1.00 63.03 C ATOM 183 CD ARG A 12 -5.973 9.304 -13.702 1.00 41.55 C ATOM 184 NE ARG A 12 -6.307 8.380 -14.783 1.00 24.25 N ATOM 185 CZ ARG A 12 -5.497 7.416 -15.212 1.00 11.23 C ATOM 186 NH1 ARG A 12 -4.346 7.197 -14.596 1.00 34.40 N ATOM 187 NH2 ARG A 12 -5.853 6.658 -16.243 1.00 55.44 N ATOM 0 H ARG A 12 -7.035 11.870 -9.514 1.00 42.12 H new ATOM 0 HA ARG A 12 -5.790 9.582 -10.913 1.00 53.22 H new ATOM 0 HB2 ARG A 12 -7.795 11.488 -11.788 1.00 0.35 H new ATOM 0 HB3 ARG A 12 -6.319 11.747 -12.695 1.00 0.35 H new ATOM 0 HG2 ARG A 12 -7.650 9.041 -12.390 1.00 63.03 H new ATOM 0 HG3 ARG A 12 -7.953 10.131 -13.729 1.00 63.03 H new ATOM 0 HD2 ARG A 12 -5.402 10.140 -14.106 1.00 41.55 H new ATOM 0 HD3 ARG A 12 -5.331 8.798 -12.981 1.00 41.55 H new ATOM 0 HE ARG A 12 -7.215 8.480 -15.236 1.00 24.25 H new ATOM 0 HH11 ARG A 12 -4.081 7.767 -13.793 1.00 34.40 H new ATOM 0 HH12 ARG A 12 -3.724 6.458 -14.924 1.00 34.40 H new ATOM 0 HH21 ARG A 12 -6.748 6.815 -16.706 1.00 55.44 H new ATOM 0 HH22 ARG A 12 -5.231 5.919 -16.571 1.00 55.44 H new ATOM 201 N VAL A 13 -4.898 12.733 -11.153 1.00 31.12 N ATOM 202 CA VAL A 13 -3.752 13.619 -11.283 1.00 53.12 C ATOM 203 C VAL A 13 -3.214 14.085 -9.923 1.00 24.10 C ATOM 204 O VAL A 13 -2.027 13.927 -9.657 1.00 13.25 O ATOM 205 CB VAL A 13 -4.103 14.847 -12.151 1.00 2.43 C ATOM 206 CG1 VAL A 13 -2.864 15.685 -12.433 1.00 13.44 C ATOM 207 CG2 VAL A 13 -4.762 14.404 -13.448 1.00 35.31 C ATOM 0 H VAL A 13 -5.798 13.188 -11.304 1.00 31.12 H new ATOM 0 HA VAL A 13 -2.967 13.041 -11.771 1.00 53.12 H new ATOM 0 HB VAL A 13 -4.808 15.469 -11.599 1.00 2.43 H new ATOM 0 HG11 VAL A 13 -3.137 16.544 -13.046 1.00 13.44 H new ATOM 0 HG12 VAL A 13 -2.437 16.032 -11.492 1.00 13.44 H new ATOM 0 HG13 VAL A 13 -2.129 15.080 -12.963 1.00 13.44 H new ATOM 0 HG21 VAL A 13 -5.004 15.279 -14.051 1.00 35.31 H new ATOM 0 HG22 VAL A 13 -4.079 13.760 -14.002 1.00 35.31 H new ATOM 0 HG23 VAL A 13 -5.676 13.854 -13.223 1.00 35.31 H new ATOM 217 N PRO A 14 -4.067 14.649 -9.035 1.00 55.22 N ATOM 218 CA PRO A 14 -3.608 15.220 -7.756 1.00 40.12 C ATOM 219 C PRO A 14 -3.266 14.167 -6.700 1.00 34.13 C ATOM 220 O PRO A 14 -3.263 14.463 -5.504 1.00 41.44 O ATOM 221 CB PRO A 14 -4.796 16.078 -7.274 1.00 23.13 C ATOM 222 CG PRO A 14 -5.788 16.076 -8.390 1.00 74.23 C ATOM 223 CD PRO A 14 -5.517 14.806 -9.187 1.00 72.43 C ATOM 0 HA PRO A 14 -2.684 15.779 -7.901 1.00 40.12 H new ATOM 0 HB2 PRO A 14 -5.232 15.664 -6.365 1.00 23.13 H new ATOM 0 HB3 PRO A 14 -4.474 17.093 -7.040 1.00 23.13 H new ATOM 0 HG2 PRO A 14 -6.808 16.086 -8.006 1.00 74.23 H new ATOM 0 HG3 PRO A 14 -5.674 16.961 -9.015 1.00 74.23 H new ATOM 0 HD2 PRO A 14 -6.063 13.951 -8.789 1.00 72.43 H new ATOM 0 HD3 PRO A 14 -5.808 14.911 -10.232 1.00 72.43 H new ATOM 231 N GLY A 15 -2.993 12.942 -7.137 1.00 22.40 N ATOM 232 CA GLY A 15 -2.559 11.916 -6.212 1.00 32.44 C ATOM 233 C GLY A 15 -3.708 11.075 -5.711 1.00 61.42 C ATOM 234 O GLY A 15 -4.664 11.597 -5.131 1.00 22.45 O ATOM 0 H GLY A 15 -3.064 12.644 -8.110 1.00 22.40 H new ATOM 0 HA2 GLY A 15 -1.828 11.273 -6.702 1.00 32.44 H new ATOM 0 HA3 GLY A 15 -2.056 12.382 -5.365 1.00 32.44 H new ATOM 238 N LEU A 16 -3.626 9.773 -5.924 1.00 43.21 N ATOM 239 CA LEU A 16 -4.697 8.885 -5.511 1.00 33.33 C ATOM 240 C LEU A 16 -4.291 8.146 -4.249 1.00 22.10 C ATOM 241 O LEU A 16 -3.129 7.770 -4.080 1.00 12.22 O ATOM 242 CB LEU A 16 -5.083 7.908 -6.635 1.00 15.42 C ATOM 243 CG LEU A 16 -4.064 6.819 -6.971 1.00 43.24 C ATOM 244 CD1 LEU A 16 -4.348 5.543 -6.190 1.00 12.13 C ATOM 245 CD2 LEU A 16 -4.058 6.533 -8.464 1.00 43.41 C ATOM 0 H LEU A 16 -2.837 9.311 -6.376 1.00 43.21 H new ATOM 0 HA LEU A 16 -5.582 9.483 -5.296 1.00 33.33 H new ATOM 0 HB2 LEU A 16 -6.021 7.425 -6.360 1.00 15.42 H new ATOM 0 HB3 LEU A 16 -5.275 8.486 -7.539 1.00 15.42 H new ATOM 0 HG LEU A 16 -3.078 7.183 -6.681 1.00 43.24 H new ATOM 0 HD11 LEU A 16 -3.608 4.786 -6.449 1.00 12.13 H new ATOM 0 HD12 LEU A 16 -4.296 5.751 -5.121 1.00 12.13 H new ATOM 0 HD13 LEU A 16 -5.344 5.177 -6.440 1.00 12.13 H new ATOM 0 HD21 LEU A 16 -3.326 5.755 -8.683 1.00 43.41 H new ATOM 0 HD22 LEU A 16 -5.048 6.198 -8.774 1.00 43.41 H new ATOM 0 HD23 LEU A 16 -3.796 7.441 -9.007 1.00 43.41 H new ATOM 257 N VAL A 17 -5.251 7.953 -3.366 1.00 13.45 N ATOM 258 CA VAL A 17 -4.995 7.342 -2.079 1.00 22.31 C ATOM 259 C VAL A 17 -5.768 6.042 -1.952 1.00 61.03 C ATOM 260 O VAL A 17 -6.985 6.057 -1.761 1.00 24.14 O ATOM 261 CB VAL A 17 -5.402 8.286 -0.930 1.00 62.31 C ATOM 262 CG1 VAL A 17 -5.024 7.697 0.417 1.00 42.22 C ATOM 263 CG2 VAL A 17 -4.781 9.662 -1.124 1.00 24.24 C ATOM 0 H VAL A 17 -6.225 8.214 -3.520 1.00 13.45 H new ATOM 0 HA VAL A 17 -3.926 7.142 -2.011 1.00 22.31 H new ATOM 0 HB VAL A 17 -6.486 8.399 -0.947 1.00 62.31 H new ATOM 0 HG11 VAL A 17 -5.322 8.382 1.210 1.00 42.22 H new ATOM 0 HG12 VAL A 17 -5.532 6.742 0.552 1.00 42.22 H new ATOM 0 HG13 VAL A 17 -3.946 7.543 0.457 1.00 42.22 H new ATOM 0 HG21 VAL A 17 -5.079 10.315 -0.304 1.00 24.24 H new ATOM 0 HG22 VAL A 17 -3.695 9.572 -1.140 1.00 24.24 H new ATOM 0 HG23 VAL A 17 -5.124 10.086 -2.068 1.00 24.24 H new ATOM 273 N VAL A 18 -5.072 4.925 -2.084 1.00 43.24 N ATOM 274 CA VAL A 18 -5.700 3.622 -1.930 1.00 42.14 C ATOM 275 C VAL A 18 -5.078 2.870 -0.761 1.00 32.05 C ATOM 276 O VAL A 18 -3.860 2.856 -0.594 1.00 61.12 O ATOM 277 CB VAL A 18 -5.612 2.769 -3.215 1.00 1.43 C ATOM 278 CG1 VAL A 18 -6.594 3.277 -4.262 1.00 74.45 C ATOM 279 CG2 VAL A 18 -4.197 2.771 -3.773 1.00 23.22 C ATOM 0 H VAL A 18 -4.075 4.893 -2.297 1.00 43.24 H new ATOM 0 HA VAL A 18 -6.757 3.799 -1.730 1.00 42.14 H new ATOM 0 HB VAL A 18 -5.876 1.743 -2.958 1.00 1.43 H new ATOM 0 HG11 VAL A 18 -6.518 2.664 -5.160 1.00 74.45 H new ATOM 0 HG12 VAL A 18 -7.609 3.219 -3.868 1.00 74.45 H new ATOM 0 HG13 VAL A 18 -6.360 4.313 -4.509 1.00 74.45 H new ATOM 0 HG21 VAL A 18 -4.162 2.163 -4.677 1.00 23.22 H new ATOM 0 HG22 VAL A 18 -3.901 3.793 -4.010 1.00 23.22 H new ATOM 0 HG23 VAL A 18 -3.513 2.358 -3.032 1.00 23.22 H new ATOM 289 N TYR A 19 -5.916 2.259 0.052 1.00 53.01 N ATOM 290 CA TYR A 19 -5.453 1.613 1.265 1.00 72.40 C ATOM 291 C TYR A 19 -5.833 0.142 1.300 1.00 54.11 C ATOM 292 O TYR A 19 -6.399 -0.394 0.342 1.00 13.53 O ATOM 293 CB TYR A 19 -6.010 2.340 2.500 1.00 65.41 C ATOM 294 CG TYR A 19 -7.449 2.803 2.370 1.00 2.12 C ATOM 295 CD1 TYR A 19 -8.491 1.896 2.231 1.00 11.11 C ATOM 296 CD2 TYR A 19 -7.763 4.157 2.406 1.00 62.23 C ATOM 297 CE1 TYR A 19 -9.803 2.321 2.128 1.00 3.12 C ATOM 298 CE2 TYR A 19 -9.071 4.591 2.301 1.00 12.51 C ATOM 299 CZ TYR A 19 -10.086 3.671 2.165 1.00 2.51 C ATOM 300 OH TYR A 19 -11.393 4.102 2.066 1.00 4.11 O ATOM 0 H TYR A 19 -6.922 2.196 -0.105 1.00 53.01 H new ATOM 0 HA TYR A 19 -4.365 1.671 1.277 1.00 72.40 H new ATOM 0 HB2 TYR A 19 -5.933 1.676 3.361 1.00 65.41 H new ATOM 0 HB3 TYR A 19 -5.382 3.206 2.709 1.00 65.41 H new ATOM 0 HD1 TYR A 19 -8.273 0.839 2.203 1.00 11.11 H new ATOM 0 HD2 TYR A 19 -6.971 4.882 2.518 1.00 62.23 H new ATOM 0 HE1 TYR A 19 -10.601 1.601 2.019 1.00 3.12 H new ATOM 0 HE2 TYR A 19 -9.296 5.647 2.326 1.00 12.51 H new ATOM 0 HH TYR A 19 -11.933 3.412 1.626 1.00 4.11 H new ATOM 310 N ARG A 20 -5.476 -0.513 2.396 1.00 43.01 N ATOM 311 CA ARG A 20 -5.889 -1.890 2.643 1.00 23.33 C ATOM 312 C ARG A 20 -7.403 -1.997 2.787 1.00 22.31 C ATOM 313 O ARG A 20 -8.106 -0.991 2.821 1.00 74.15 O ATOM 314 CB ARG A 20 -5.191 -2.452 3.896 1.00 51.31 C ATOM 315 CG ARG A 20 -5.137 -1.515 5.114 1.00 75.43 C ATOM 316 CD ARG A 20 -6.438 -1.473 5.916 1.00 40.25 C ATOM 317 NE ARG A 20 -7.406 -0.528 5.361 1.00 54.12 N ATOM 318 CZ ARG A 20 -8.416 0.013 6.044 1.00 72.54 C ATOM 319 NH1 ARG A 20 -8.619 -0.297 7.321 1.00 10.04 N ATOM 320 NH2 ARG A 20 -9.237 0.858 5.435 1.00 21.12 N ATOM 0 H ARG A 20 -4.897 -0.111 3.133 1.00 43.01 H new ATOM 0 HA ARG A 20 -5.589 -2.485 1.780 1.00 23.33 H new ATOM 0 HB2 ARG A 20 -5.700 -3.370 4.191 1.00 51.31 H new ATOM 0 HB3 ARG A 20 -4.171 -2.726 3.627 1.00 51.31 H new ATOM 0 HG2 ARG A 20 -4.326 -1.833 5.770 1.00 75.43 H new ATOM 0 HG3 ARG A 20 -4.897 -0.507 4.775 1.00 75.43 H new ATOM 0 HD2 ARG A 20 -6.879 -2.469 5.939 1.00 40.25 H new ATOM 0 HD3 ARG A 20 -6.217 -1.198 6.947 1.00 40.25 H new ATOM 0 HE ARG A 20 -7.301 -0.264 4.381 1.00 54.12 H new ATOM 0 HH11 ARG A 20 -7.998 -0.956 7.791 1.00 10.04 H new ATOM 0 HH12 ARG A 20 -9.395 0.124 7.831 1.00 10.04 H new ATOM 0 HH21 ARG A 20 -9.093 1.089 4.452 1.00 21.12 H new ATOM 0 HH22 ARG A 20 -10.012 1.276 5.950 1.00 21.12 H new ATOM 334 N TYR A 21 -7.904 -3.214 2.880 1.00 42.43 N ATOM 335 CA TYR A 21 -9.315 -3.426 3.137 1.00 63.30 C ATOM 336 C TYR A 21 -9.492 -3.975 4.539 1.00 13.12 C ATOM 337 O TYR A 21 -8.670 -4.764 5.007 1.00 22.12 O ATOM 338 CB TYR A 21 -9.929 -4.364 2.099 1.00 52.12 C ATOM 339 CG TYR A 21 -10.049 -3.737 0.730 1.00 74.32 C ATOM 340 CD1 TYR A 21 -11.186 -3.022 0.373 1.00 14.04 C ATOM 341 CD2 TYR A 21 -9.025 -3.851 -0.204 1.00 40.21 C ATOM 342 CE1 TYR A 21 -11.299 -2.437 -0.872 1.00 3.32 C ATOM 343 CE2 TYR A 21 -9.133 -3.269 -1.451 1.00 53.51 C ATOM 344 CZ TYR A 21 -10.271 -2.563 -1.780 1.00 22.12 C ATOM 345 OH TYR A 21 -10.376 -1.979 -3.022 1.00 1.54 O ATOM 0 H TYR A 21 -7.356 -4.069 2.782 1.00 42.43 H new ATOM 0 HA TYR A 21 -9.837 -2.473 3.059 1.00 63.30 H new ATOM 0 HB2 TYR A 21 -9.320 -5.265 2.027 1.00 52.12 H new ATOM 0 HB3 TYR A 21 -10.918 -4.674 2.438 1.00 52.12 H new ATOM 0 HD1 TYR A 21 -11.995 -2.922 1.082 1.00 14.04 H new ATOM 0 HD2 TYR A 21 -8.132 -4.403 0.050 1.00 40.21 H new ATOM 0 HE1 TYR A 21 -12.189 -1.883 -1.133 1.00 3.32 H new ATOM 0 HE2 TYR A 21 -8.330 -3.366 -2.166 1.00 53.51 H new ATOM 0 HH TYR A 21 -9.564 -2.162 -3.539 1.00 1.54 H new ATOM 355 N ASP A 22 -10.543 -3.541 5.212 1.00 34.44 N ATOM 356 CA ASP A 22 -10.758 -3.904 6.605 1.00 24.32 C ATOM 357 C ASP A 22 -11.387 -5.288 6.713 1.00 65.31 C ATOM 358 O ASP A 22 -12.571 -5.422 7.015 1.00 24.43 O ATOM 359 CB ASP A 22 -11.643 -2.861 7.290 1.00 75.52 C ATOM 360 CG ASP A 22 -11.604 -2.954 8.801 1.00 52.53 C ATOM 361 OD1 ASP A 22 -12.331 -3.788 9.375 1.00 44.32 O ATOM 362 OD2 ASP A 22 -10.856 -2.170 9.425 1.00 63.43 O ATOM 0 H ASP A 22 -11.263 -2.936 4.817 1.00 34.44 H new ATOM 0 HA ASP A 22 -9.791 -3.930 7.108 1.00 24.32 H new ATOM 0 HB2 ASP A 22 -11.324 -1.865 6.984 1.00 75.52 H new ATOM 0 HB3 ASP A 22 -12.671 -2.985 6.950 1.00 75.52 H new ATOM 367 N ALA A 23 -10.594 -6.314 6.419 1.00 0.12 N ATOM 368 CA ALA A 23 -11.053 -7.690 6.517 1.00 1.43 C ATOM 369 C ALA A 23 -9.913 -8.673 6.345 1.00 54.32 C ATOM 370 O ALA A 23 -9.040 -8.473 5.504 1.00 3.24 O ATOM 371 CB ALA A 23 -12.090 -7.971 5.457 1.00 34.23 C ATOM 0 H ALA A 23 -9.627 -6.215 6.110 1.00 0.12 H new ATOM 0 HA ALA A 23 -11.482 -7.815 7.511 1.00 1.43 H new ATOM 0 HB1 ALA A 23 -12.426 -9.005 5.541 1.00 34.23 H new ATOM 0 HB2 ALA A 23 -12.939 -7.302 5.593 1.00 34.23 H new ATOM 0 HB3 ALA A 23 -11.655 -7.810 4.471 1.00 34.23 H new ATOM 377 N PRO A 24 -9.907 -9.750 7.144 1.00 20.11 N ATOM 378 CA PRO A 24 -8.917 -10.823 7.026 1.00 2.53 C ATOM 379 C PRO A 24 -9.053 -11.593 5.722 1.00 1.13 C ATOM 380 O PRO A 24 -9.824 -12.551 5.632 1.00 73.34 O ATOM 381 CB PRO A 24 -9.212 -11.750 8.214 1.00 33.44 C ATOM 382 CG PRO A 24 -10.035 -10.933 9.142 1.00 2.14 C ATOM 383 CD PRO A 24 -10.842 -9.998 8.246 1.00 43.33 C ATOM 0 HA PRO A 24 -7.903 -10.423 7.030 1.00 2.53 H new ATOM 0 HB2 PRO A 24 -9.747 -12.644 7.894 1.00 33.44 H new ATOM 0 HB3 PRO A 24 -8.291 -12.084 8.692 1.00 33.44 H new ATOM 0 HG2 PRO A 24 -10.690 -11.562 9.745 1.00 2.14 H new ATOM 0 HG3 PRO A 24 -9.407 -10.371 9.833 1.00 2.14 H new ATOM 0 HD2 PRO A 24 -11.766 -10.461 7.901 1.00 43.33 H new ATOM 0 HD3 PRO A 24 -11.119 -9.078 8.761 1.00 43.33 H new ATOM 391 N LEU A 25 -8.334 -11.153 4.702 1.00 43.24 N ATOM 392 CA LEU A 25 -8.302 -11.882 3.445 1.00 13.24 C ATOM 393 C LEU A 25 -6.999 -12.660 3.327 1.00 24.22 C ATOM 394 O LEU A 25 -6.808 -13.434 2.383 1.00 35.21 O ATOM 395 CB LEU A 25 -8.561 -10.967 2.211 1.00 75.22 C ATOM 396 CG LEU A 25 -7.508 -9.898 1.804 1.00 30.44 C ATOM 397 CD1 LEU A 25 -7.155 -8.961 2.947 1.00 23.32 C ATOM 398 CD2 LEU A 25 -6.252 -10.527 1.218 1.00 43.04 C ATOM 0 H LEU A 25 -7.770 -10.303 4.719 1.00 43.24 H new ATOM 0 HA LEU A 25 -9.126 -12.595 3.451 1.00 13.24 H new ATOM 0 HB2 LEU A 25 -8.712 -11.618 1.350 1.00 75.22 H new ATOM 0 HB3 LEU A 25 -9.502 -10.446 2.385 1.00 75.22 H new ATOM 0 HG LEU A 25 -7.979 -9.298 1.025 1.00 30.44 H new ATOM 0 HD11 LEU A 25 -6.416 -8.235 2.608 1.00 23.32 H new ATOM 0 HD12 LEU A 25 -8.052 -8.438 3.279 1.00 23.32 H new ATOM 0 HD13 LEU A 25 -6.744 -9.537 3.776 1.00 23.32 H new ATOM 0 HD21 LEU A 25 -5.544 -9.743 0.948 1.00 43.04 H new ATOM 0 HD22 LEU A 25 -5.797 -11.188 1.956 1.00 43.04 H new ATOM 0 HD23 LEU A 25 -6.513 -11.102 0.329 1.00 43.04 H new ATOM 410 N CYS A 26 -6.118 -12.444 4.308 1.00 74.51 N ATOM 411 CA CYS A 26 -4.861 -13.184 4.423 1.00 22.45 C ATOM 412 C CYS A 26 -3.920 -12.841 3.271 1.00 20.32 C ATOM 413 O CYS A 26 -3.005 -12.037 3.438 1.00 21.53 O ATOM 414 CB CYS A 26 -5.139 -14.690 4.471 1.00 23.43 C ATOM 415 SG CYS A 26 -6.382 -15.159 5.696 1.00 1.13 S ATOM 0 H CYS A 26 -6.257 -11.751 5.044 1.00 74.51 H new ATOM 0 HA CYS A 26 -4.370 -12.892 5.351 1.00 22.45 H new ATOM 0 HB2 CYS A 26 -5.469 -15.021 3.486 1.00 23.43 H new ATOM 0 HB3 CYS A 26 -4.209 -15.216 4.690 1.00 23.43 H new ATOM 0 HG CYS A 26 -6.556 -16.447 5.667 1.00 1.13 H new ATOM 421 N PHE A 27 -4.153 -13.471 2.123 1.00 41.41 N ATOM 422 CA PHE A 27 -3.466 -13.141 0.873 1.00 21.44 C ATOM 423 C PHE A 27 -3.950 -14.067 -0.240 1.00 65.22 C ATOM 424 O PHE A 27 -3.329 -14.157 -1.297 1.00 21.15 O ATOM 425 CB PHE A 27 -1.935 -13.229 1.006 1.00 62.25 C ATOM 426 CG PHE A 27 -1.392 -14.607 1.263 1.00 33.10 C ATOM 427 CD1 PHE A 27 -1.494 -15.189 2.515 1.00 30.31 C ATOM 428 CD2 PHE A 27 -0.762 -15.313 0.249 1.00 62.21 C ATOM 429 CE1 PHE A 27 -0.981 -16.449 2.752 1.00 53.23 C ATOM 430 CE2 PHE A 27 -0.249 -16.576 0.480 1.00 21.31 C ATOM 431 CZ PHE A 27 -0.359 -17.144 1.735 1.00 41.21 C ATOM 0 H PHE A 27 -4.828 -14.230 2.031 1.00 41.41 H new ATOM 0 HA PHE A 27 -3.708 -12.107 0.627 1.00 21.44 H new ATOM 0 HB2 PHE A 27 -1.484 -12.843 0.092 1.00 62.25 H new ATOM 0 HB3 PHE A 27 -1.619 -12.574 1.818 1.00 62.25 H new ATOM 0 HD1 PHE A 27 -1.980 -14.651 3.316 1.00 30.31 H new ATOM 0 HD2 PHE A 27 -0.671 -14.871 -0.732 1.00 62.21 H new ATOM 0 HE1 PHE A 27 -1.067 -16.891 3.734 1.00 53.23 H new ATOM 0 HE2 PHE A 27 0.237 -17.117 -0.318 1.00 21.31 H new ATOM 0 HZ PHE A 27 0.041 -18.130 1.920 1.00 41.21 H new ATOM 441 N ALA A 28 -5.113 -14.687 -0.005 1.00 13.22 N ATOM 442 CA ALA A 28 -5.648 -15.749 -0.866 1.00 22.20 C ATOM 443 C ALA A 28 -5.563 -15.400 -2.347 1.00 75.01 C ATOM 444 O ALA A 28 -4.958 -16.125 -3.134 1.00 21.13 O ATOM 445 CB ALA A 28 -7.093 -16.028 -0.483 1.00 4.45 C ATOM 0 H ALA A 28 -5.712 -14.465 0.791 1.00 13.22 H new ATOM 0 HA ALA A 28 -5.036 -16.637 -0.712 1.00 22.20 H new ATOM 0 HB1 ALA A 28 -7.493 -16.816 -1.121 1.00 4.45 H new ATOM 0 HB2 ALA A 28 -7.138 -16.346 0.559 1.00 4.45 H new ATOM 0 HB3 ALA A 28 -7.685 -15.122 -0.612 1.00 4.45 H new ATOM 451 N ASN A 29 -6.187 -14.298 -2.720 1.00 63.12 N ATOM 452 CA ASN A 29 -6.151 -13.825 -4.097 1.00 12.12 C ATOM 453 C ASN A 29 -5.416 -12.497 -4.167 1.00 63.13 C ATOM 454 O ASN A 29 -5.336 -11.877 -5.225 1.00 1.24 O ATOM 455 CB ASN A 29 -7.575 -13.662 -4.644 1.00 52.25 C ATOM 456 CG ASN A 29 -8.364 -12.583 -3.920 1.00 1.22 C ATOM 457 OD1 ASN A 29 -8.143 -12.315 -2.737 1.00 31.01 O ATOM 458 ND2 ASN A 29 -9.292 -11.956 -4.624 1.00 32.54 N ATOM 0 H ASN A 29 -6.728 -13.709 -2.087 1.00 63.12 H new ATOM 0 HA ASN A 29 -5.625 -14.560 -4.706 1.00 12.12 H new ATOM 0 HB2 ASN A 29 -7.526 -13.419 -5.706 1.00 52.25 H new ATOM 0 HB3 ASN A 29 -8.103 -14.612 -4.558 1.00 52.25 H new ATOM 0 HD21 ASN A 29 -9.853 -11.223 -4.190 1.00 32.54 H new ATOM 0 HD22 ASN A 29 -9.446 -12.205 -5.601 1.00 32.54 H new ATOM 465 N ALA A 30 -4.840 -12.104 -3.034 1.00 60.55 N ATOM 466 CA ALA A 30 -4.313 -10.754 -2.851 1.00 45.44 C ATOM 467 C ALA A 30 -3.265 -10.389 -3.890 1.00 43.41 C ATOM 468 O ALA A 30 -3.150 -9.224 -4.261 1.00 21.21 O ATOM 469 CB ALA A 30 -3.736 -10.589 -1.455 1.00 61.35 C ATOM 0 H ALA A 30 -4.726 -12.709 -2.221 1.00 60.55 H new ATOM 0 HA ALA A 30 -5.153 -10.072 -2.981 1.00 45.44 H new ATOM 0 HB1 ALA A 30 -3.349 -9.577 -1.339 1.00 61.35 H new ATOM 0 HB2 ALA A 30 -4.517 -10.766 -0.715 1.00 61.35 H new ATOM 0 HB3 ALA A 30 -2.928 -11.306 -1.308 1.00 61.35 H new ATOM 475 N GLU A 31 -2.513 -11.378 -4.356 1.00 33.04 N ATOM 476 CA GLU A 31 -1.463 -11.135 -5.335 1.00 63.31 C ATOM 477 C GLU A 31 -2.029 -10.479 -6.592 1.00 24.50 C ATOM 478 O GLU A 31 -1.735 -9.318 -6.889 1.00 34.43 O ATOM 479 CB GLU A 31 -0.762 -12.437 -5.716 1.00 71.24 C ATOM 480 CG GLU A 31 0.450 -12.209 -6.603 1.00 31.45 C ATOM 481 CD GLU A 31 0.863 -13.437 -7.378 1.00 12.04 C ATOM 482 OE1 GLU A 31 1.424 -14.369 -6.774 1.00 3.52 O ATOM 483 OE2 GLU A 31 0.646 -13.461 -8.609 1.00 54.33 O ATOM 0 H GLU A 31 -2.611 -12.353 -4.072 1.00 33.04 H new ATOM 0 HA GLU A 31 -0.739 -10.461 -4.877 1.00 63.31 H new ATOM 0 HB2 GLU A 31 -0.452 -12.957 -4.810 1.00 71.24 H new ATOM 0 HB3 GLU A 31 -1.468 -13.088 -6.232 1.00 71.24 H new ATOM 0 HG2 GLU A 31 0.232 -11.402 -7.303 1.00 31.45 H new ATOM 0 HG3 GLU A 31 1.286 -11.879 -5.986 1.00 31.45 H new ATOM 490 N ASP A 32 -2.863 -11.218 -7.313 1.00 74.03 N ATOM 491 CA ASP A 32 -3.409 -10.720 -8.564 1.00 31.44 C ATOM 492 C ASP A 32 -4.506 -9.704 -8.302 1.00 54.11 C ATOM 493 O ASP A 32 -4.707 -8.790 -9.094 1.00 51.23 O ATOM 494 CB ASP A 32 -3.947 -11.857 -9.430 1.00 40.01 C ATOM 495 CG ASP A 32 -4.208 -11.398 -10.850 1.00 41.12 C ATOM 496 OD1 ASP A 32 -3.225 -11.187 -11.593 1.00 21.24 O ATOM 497 OD2 ASP A 32 -5.387 -11.237 -11.230 1.00 5.33 O ATOM 0 H ASP A 32 -3.172 -12.155 -7.054 1.00 74.03 H new ATOM 0 HA ASP A 32 -2.597 -10.235 -9.106 1.00 31.44 H new ATOM 0 HB2 ASP A 32 -3.232 -12.679 -9.438 1.00 40.01 H new ATOM 0 HB3 ASP A 32 -4.870 -12.241 -8.995 1.00 40.01 H new ATOM 502 N PHE A 33 -5.206 -9.862 -7.181 1.00 41.41 N ATOM 503 CA PHE A 33 -6.229 -8.908 -6.777 1.00 21.41 C ATOM 504 C PHE A 33 -5.639 -7.505 -6.658 1.00 22.34 C ATOM 505 O PHE A 33 -6.171 -6.544 -7.222 1.00 11.54 O ATOM 506 CB PHE A 33 -6.863 -9.338 -5.445 1.00 1.11 C ATOM 507 CG PHE A 33 -7.422 -8.197 -4.646 1.00 5.23 C ATOM 508 CD1 PHE A 33 -8.604 -7.584 -5.022 1.00 53.35 C ATOM 509 CD2 PHE A 33 -6.745 -7.724 -3.531 1.00 60.11 C ATOM 510 CE1 PHE A 33 -9.101 -6.514 -4.306 1.00 35.10 C ATOM 511 CE2 PHE A 33 -7.239 -6.657 -2.809 1.00 23.14 C ATOM 512 CZ PHE A 33 -8.418 -6.050 -3.200 1.00 74.10 C ATOM 0 H PHE A 33 -5.081 -10.643 -6.537 1.00 41.41 H new ATOM 0 HA PHE A 33 -7.005 -8.890 -7.542 1.00 21.41 H new ATOM 0 HB2 PHE A 33 -7.660 -10.054 -5.647 1.00 1.11 H new ATOM 0 HB3 PHE A 33 -6.114 -9.856 -4.847 1.00 1.11 H new ATOM 0 HD1 PHE A 33 -9.143 -7.947 -5.885 1.00 53.35 H new ATOM 0 HD2 PHE A 33 -5.823 -8.195 -3.225 1.00 60.11 H new ATOM 0 HE1 PHE A 33 -10.023 -6.041 -4.611 1.00 35.10 H new ATOM 0 HE2 PHE A 33 -6.706 -6.297 -1.941 1.00 23.14 H new ATOM 0 HZ PHE A 33 -8.805 -5.212 -2.639 1.00 74.10 H new ATOM 522 N ARG A 34 -4.532 -7.393 -5.932 1.00 2.11 N ATOM 523 CA ARG A 34 -3.897 -6.104 -5.721 1.00 13.21 C ATOM 524 C ARG A 34 -3.321 -5.586 -7.024 1.00 64.13 C ATOM 525 O ARG A 34 -3.465 -4.407 -7.352 1.00 34.03 O ATOM 526 CB ARG A 34 -2.792 -6.205 -4.673 1.00 11.35 C ATOM 527 CG ARG A 34 -2.196 -4.857 -4.306 1.00 14.44 C ATOM 528 CD ARG A 34 -3.218 -3.975 -3.604 1.00 23.12 C ATOM 529 NE ARG A 34 -3.755 -4.597 -2.392 1.00 53.35 N ATOM 530 CZ ARG A 34 -4.591 -3.991 -1.549 1.00 12.10 C ATOM 531 NH1 ARG A 34 -4.989 -2.740 -1.777 1.00 33.12 N ATOM 532 NH2 ARG A 34 -5.029 -4.633 -0.473 1.00 42.23 N ATOM 0 H ARG A 34 -4.060 -8.178 -5.483 1.00 2.11 H new ATOM 0 HA ARG A 34 -4.655 -5.409 -5.359 1.00 13.21 H new ATOM 0 HB2 ARG A 34 -3.193 -6.675 -3.775 1.00 11.35 H new ATOM 0 HB3 ARG A 34 -2.002 -6.855 -5.048 1.00 11.35 H new ATOM 0 HG2 ARG A 34 -1.332 -5.003 -3.658 1.00 14.44 H new ATOM 0 HG3 ARG A 34 -1.838 -4.358 -5.206 1.00 14.44 H new ATOM 0 HD2 ARG A 34 -2.755 -3.023 -3.346 1.00 23.12 H new ATOM 0 HD3 ARG A 34 -4.037 -3.756 -4.290 1.00 23.12 H new ATOM 0 HE ARG A 34 -3.472 -5.554 -2.180 1.00 53.35 H new ATOM 0 HH11 ARG A 34 -4.654 -2.240 -2.601 1.00 33.12 H new ATOM 0 HH12 ARG A 34 -5.629 -2.282 -1.128 1.00 33.12 H new ATOM 0 HH21 ARG A 34 -4.726 -5.590 -0.291 1.00 42.23 H new ATOM 0 HH22 ARG A 34 -5.669 -4.170 0.172 1.00 42.23 H new ATOM 546 N ARG A 35 -2.669 -6.478 -7.762 1.00 45.33 N ATOM 547 CA ARG A 35 -2.121 -6.140 -9.066 1.00 33.22 C ATOM 548 C ARG A 35 -3.207 -5.568 -9.968 1.00 10.12 C ATOM 549 O ARG A 35 -3.048 -4.485 -10.520 1.00 75.34 O ATOM 550 CB ARG A 35 -1.480 -7.375 -9.709 1.00 43.24 C ATOM 551 CG ARG A 35 -1.173 -7.219 -11.191 1.00 23.14 C ATOM 552 CD ARG A 35 -0.331 -8.373 -11.716 1.00 13.33 C ATOM 553 NE ARG A 35 -0.859 -9.679 -11.309 1.00 1.02 N ATOM 554 CZ ARG A 35 -0.127 -10.613 -10.698 1.00 0.24 C ATOM 555 NH1 ARG A 35 1.167 -10.408 -10.490 1.00 2.23 N ATOM 556 NH2 ARG A 35 -0.686 -11.759 -10.326 1.00 42.45 N ATOM 0 H ARG A 35 -2.508 -7.444 -7.476 1.00 45.33 H new ATOM 0 HA ARG A 35 -1.351 -5.380 -8.934 1.00 33.22 H new ATOM 0 HB2 ARG A 35 -0.555 -7.607 -9.181 1.00 43.24 H new ATOM 0 HB3 ARG A 35 -2.146 -8.227 -9.575 1.00 43.24 H new ATOM 0 HG2 ARG A 35 -2.106 -7.164 -11.752 1.00 23.14 H new ATOM 0 HG3 ARG A 35 -0.646 -6.279 -11.357 1.00 23.14 H new ATOM 0 HD2 ARG A 35 -0.290 -8.324 -12.804 1.00 13.33 H new ATOM 0 HD3 ARG A 35 0.691 -8.268 -11.353 1.00 13.33 H new ATOM 0 HE ARG A 35 -1.839 -9.885 -11.503 1.00 1.02 H new ATOM 0 HH11 ARG A 35 1.601 -9.538 -10.797 1.00 2.23 H new ATOM 0 HH12 ARG A 35 1.728 -11.121 -10.023 1.00 2.23 H new ATOM 0 HH21 ARG A 35 -1.676 -11.926 -10.507 1.00 42.45 H new ATOM 0 HH22 ARG A 35 -0.125 -12.472 -9.859 1.00 42.45 H new ATOM 570 N ARG A 36 -4.317 -6.291 -10.072 1.00 14.11 N ATOM 571 CA ARG A 36 -5.418 -5.914 -10.948 1.00 40.11 C ATOM 572 C ARG A 36 -5.962 -4.534 -10.589 1.00 20.11 C ATOM 573 O ARG A 36 -5.936 -3.617 -11.410 1.00 33.51 O ATOM 574 CB ARG A 36 -6.540 -6.949 -10.845 1.00 4.11 C ATOM 575 CG ARG A 36 -7.509 -6.923 -12.016 1.00 40.43 C ATOM 576 CD ARG A 36 -6.843 -7.421 -13.288 1.00 1.05 C ATOM 577 NE ARG A 36 -6.290 -8.767 -13.120 1.00 65.40 N ATOM 578 CZ ARG A 36 -5.798 -9.507 -14.114 1.00 73.12 C ATOM 579 NH1 ARG A 36 -5.774 -9.038 -15.356 1.00 40.11 N ATOM 580 NH2 ARG A 36 -5.320 -10.714 -13.856 1.00 1.23 N ATOM 0 H ARG A 36 -4.478 -7.154 -9.552 1.00 14.11 H new ATOM 0 HA ARG A 36 -5.040 -5.879 -11.970 1.00 40.11 H new ATOM 0 HB2 ARG A 36 -6.099 -7.943 -10.773 1.00 4.11 H new ATOM 0 HB3 ARG A 36 -7.095 -6.779 -9.922 1.00 4.11 H new ATOM 0 HG2 ARG A 36 -8.376 -7.544 -11.789 1.00 40.43 H new ATOM 0 HG3 ARG A 36 -7.875 -5.907 -12.167 1.00 40.43 H new ATOM 0 HD2 ARG A 36 -7.569 -7.425 -14.101 1.00 1.05 H new ATOM 0 HD3 ARG A 36 -6.047 -6.734 -13.575 1.00 1.05 H new ATOM 0 HE ARG A 36 -6.281 -9.164 -12.181 1.00 65.40 H new ATOM 0 HH11 ARG A 36 -6.134 -8.105 -15.556 1.00 40.11 H new ATOM 0 HH12 ARG A 36 -5.396 -9.611 -16.110 1.00 40.11 H new ATOM 0 HH21 ARG A 36 -5.329 -11.073 -12.901 1.00 1.23 H new ATOM 0 HH22 ARG A 36 -4.942 -11.285 -14.612 1.00 1.23 H new ATOM 594 N ALA A 37 -6.438 -4.393 -9.355 1.00 4.31 N ATOM 595 CA ALA A 37 -7.081 -3.161 -8.912 1.00 42.44 C ATOM 596 C ALA A 37 -6.163 -1.951 -9.059 1.00 11.43 C ATOM 597 O ALA A 37 -6.562 -0.920 -9.596 1.00 54.10 O ATOM 598 CB ALA A 37 -7.545 -3.300 -7.472 1.00 22.51 C ATOM 0 H ALA A 37 -6.390 -5.121 -8.642 1.00 4.31 H new ATOM 0 HA ALA A 37 -7.945 -2.993 -9.554 1.00 42.44 H new ATOM 0 HB1 ALA A 37 -8.023 -2.374 -7.153 1.00 22.51 H new ATOM 0 HB2 ALA A 37 -8.258 -4.121 -7.397 1.00 22.51 H new ATOM 0 HB3 ALA A 37 -6.687 -3.505 -6.831 1.00 22.51 H new ATOM 604 N LEU A 38 -4.927 -2.082 -8.604 1.00 63.51 N ATOM 605 CA LEU A 38 -3.998 -0.959 -8.607 1.00 53.40 C ATOM 606 C LEU A 38 -3.501 -0.641 -10.013 1.00 54.20 C ATOM 607 O LEU A 38 -3.387 0.524 -10.388 1.00 23.33 O ATOM 608 CB LEU A 38 -2.821 -1.233 -7.667 1.00 12.41 C ATOM 609 CG LEU A 38 -3.023 -0.782 -6.213 1.00 52.41 C ATOM 610 CD1 LEU A 38 -4.339 -1.297 -5.650 1.00 73.04 C ATOM 611 CD2 LEU A 38 -1.869 -1.257 -5.345 1.00 32.23 C ATOM 0 H LEU A 38 -4.543 -2.950 -8.229 1.00 63.51 H new ATOM 0 HA LEU A 38 -4.538 -0.084 -8.246 1.00 53.40 H new ATOM 0 HB2 LEU A 38 -2.615 -2.303 -7.673 1.00 12.41 H new ATOM 0 HB3 LEU A 38 -1.936 -0.736 -8.065 1.00 12.41 H new ATOM 0 HG LEU A 38 -3.053 0.308 -6.206 1.00 52.41 H new ATOM 0 HD11 LEU A 38 -4.451 -0.960 -4.619 1.00 73.04 H new ATOM 0 HD12 LEU A 38 -5.166 -0.914 -6.249 1.00 73.04 H new ATOM 0 HD13 LEU A 38 -4.345 -2.387 -5.678 1.00 73.04 H new ATOM 0 HD21 LEU A 38 -2.027 -0.929 -4.318 1.00 32.23 H new ATOM 0 HD22 LEU A 38 -1.816 -2.345 -5.374 1.00 32.23 H new ATOM 0 HD23 LEU A 38 -0.935 -0.838 -5.720 1.00 32.23 H new ATOM 623 N THR A 39 -3.236 -1.666 -10.806 1.00 55.25 N ATOM 624 CA THR A 39 -2.697 -1.449 -12.136 1.00 34.30 C ATOM 625 C THR A 39 -3.755 -0.831 -13.048 1.00 12.23 C ATOM 626 O THR A 39 -3.433 -0.159 -14.030 1.00 34.52 O ATOM 627 CB THR A 39 -2.147 -2.756 -12.756 1.00 71.42 C ATOM 628 OG1 THR A 39 -1.195 -2.444 -13.780 1.00 43.55 O ATOM 629 CG2 THR A 39 -3.258 -3.618 -13.345 1.00 14.02 C ATOM 0 H THR A 39 -3.383 -2.644 -10.556 1.00 55.25 H new ATOM 0 HA THR A 39 -1.862 -0.755 -12.040 1.00 34.30 H new ATOM 0 HB THR A 39 -1.669 -3.323 -11.957 1.00 71.42 H new ATOM 0 HG1 THR A 39 -0.848 -3.274 -14.168 1.00 43.55 H new ATOM 0 HG21 THR A 39 -2.828 -4.525 -13.770 1.00 14.02 H new ATOM 0 HG22 THR A 39 -3.966 -3.885 -12.561 1.00 14.02 H new ATOM 0 HG23 THR A 39 -3.775 -3.061 -14.127 1.00 14.02 H new ATOM 637 N VAL A 40 -5.020 -1.028 -12.702 1.00 71.44 N ATOM 638 CA VAL A 40 -6.099 -0.517 -13.522 1.00 42.05 C ATOM 639 C VAL A 40 -6.557 0.864 -13.043 1.00 22.41 C ATOM 640 O VAL A 40 -7.133 1.635 -13.812 1.00 73.45 O ATOM 641 CB VAL A 40 -7.280 -1.506 -13.575 1.00 13.20 C ATOM 642 CG1 VAL A 40 -8.104 -1.454 -12.303 1.00 2.44 C ATOM 643 CG2 VAL A 40 -8.142 -1.246 -14.800 1.00 20.35 C ATOM 0 H VAL A 40 -5.318 -1.533 -11.867 1.00 71.44 H new ATOM 0 HA VAL A 40 -5.715 -0.405 -14.536 1.00 42.05 H new ATOM 0 HB VAL A 40 -6.871 -2.513 -13.655 1.00 13.20 H new ATOM 0 HG11 VAL A 40 -8.928 -2.164 -12.374 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -7.475 -1.713 -11.451 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -8.502 -0.448 -12.168 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -8.970 -1.954 -14.819 1.00 20.35 H new ATOM 0 HG22 VAL A 40 -8.535 -0.230 -14.760 1.00 20.35 H new ATOM 0 HG23 VAL A 40 -7.540 -1.367 -15.701 1.00 20.35 H new ATOM 653 N VAL A 41 -6.303 1.186 -11.775 1.00 45.30 N ATOM 654 CA VAL A 41 -6.462 2.564 -11.317 1.00 75.22 C ATOM 655 C VAL A 41 -5.197 3.336 -11.665 1.00 34.10 C ATOM 656 O VAL A 41 -5.097 4.541 -11.430 1.00 71.34 O ATOM 657 CB VAL A 41 -6.757 2.678 -9.802 1.00 33.33 C ATOM 658 CG1 VAL A 41 -8.032 1.934 -9.444 1.00 0.31 C ATOM 659 CG2 VAL A 41 -5.589 2.175 -8.969 1.00 53.21 C ATOM 0 H VAL A 41 -5.993 0.527 -11.061 1.00 45.30 H new ATOM 0 HA VAL A 41 -7.331 2.984 -11.823 1.00 75.22 H new ATOM 0 HB VAL A 41 -6.898 3.734 -9.571 1.00 33.33 H new ATOM 0 HG11 VAL A 41 -8.220 2.028 -8.374 1.00 0.31 H new ATOM 0 HG12 VAL A 41 -8.869 2.359 -9.998 1.00 0.31 H new ATOM 0 HG13 VAL A 41 -7.923 0.881 -9.702 1.00 0.31 H new ATOM 0 HG21 VAL A 41 -5.830 2.269 -7.910 1.00 53.21 H new ATOM 0 HG22 VAL A 41 -5.397 1.128 -9.206 1.00 53.21 H new ATOM 0 HG23 VAL A 41 -4.701 2.766 -9.193 1.00 53.21 H new ATOM 669 N ASP A 42 -4.242 2.575 -12.211 1.00 50.52 N ATOM 670 CA ASP A 42 -3.005 3.078 -12.812 1.00 35.13 C ATOM 671 C ASP A 42 -1.883 3.100 -11.793 1.00 74.15 C ATOM 672 O ASP A 42 -1.876 3.905 -10.865 1.00 33.54 O ATOM 673 CB ASP A 42 -3.173 4.454 -13.461 1.00 5.53 C ATOM 674 CG ASP A 42 -2.221 4.666 -14.621 1.00 1.03 C ATOM 675 OD1 ASP A 42 -1.123 4.075 -14.616 1.00 65.20 O ATOM 676 OD2 ASP A 42 -2.584 5.420 -15.554 1.00 35.11 O ATOM 0 H ASP A 42 -4.313 1.558 -12.247 1.00 50.52 H new ATOM 0 HA ASP A 42 -2.745 2.385 -13.612 1.00 35.13 H new ATOM 0 HB2 ASP A 42 -4.199 4.564 -13.812 1.00 5.53 H new ATOM 0 HB3 ASP A 42 -3.007 5.229 -12.712 1.00 5.53 H new ATOM 681 N GLN A 43 -0.949 2.177 -11.967 1.00 72.30 N ATOM 682 CA GLN A 43 0.205 2.063 -11.094 1.00 64.01 C ATOM 683 C GLN A 43 1.446 1.780 -11.929 1.00 35.13 C ATOM 684 O GLN A 43 2.534 1.550 -11.401 1.00 1.01 O ATOM 685 CB GLN A 43 -0.008 0.925 -10.089 1.00 4.54 C ATOM 686 CG GLN A 43 0.153 -0.463 -10.694 1.00 71.51 C ATOM 687 CD GLN A 43 0.191 -1.558 -9.649 1.00 42.31 C ATOM 688 OE1 GLN A 43 0.605 -1.342 -8.511 1.00 52.20 O ATOM 689 NE2 GLN A 43 -0.221 -2.755 -10.034 1.00 72.40 N ATOM 0 H GLN A 43 -0.972 1.487 -12.718 1.00 72.30 H new ATOM 0 HA GLN A 43 0.336 2.998 -10.550 1.00 64.01 H new ATOM 0 HB2 GLN A 43 0.701 1.039 -9.269 1.00 4.54 H new ATOM 0 HB3 GLN A 43 -1.007 1.012 -9.661 1.00 4.54 H new ATOM 0 HG2 GLN A 43 -0.671 -0.652 -11.382 1.00 71.51 H new ATOM 0 HG3 GLN A 43 1.071 -0.495 -11.280 1.00 71.51 H new ATOM 0 HE21 GLN A 43 -0.558 -2.896 -10.986 1.00 72.40 H new ATOM 0 HE22 GLN A 43 -0.202 -3.536 -9.378 1.00 72.40 H new ATOM 698 N ASP A 44 1.269 1.824 -13.241 1.00 74.52 N ATOM 699 CA ASP A 44 2.283 1.337 -14.170 1.00 63.12 C ATOM 700 C ASP A 44 2.105 1.929 -15.575 1.00 40.42 C ATOM 701 O ASP A 44 3.049 2.514 -16.115 1.00 45.31 O ATOM 702 CB ASP A 44 2.253 -0.201 -14.225 1.00 14.34 C ATOM 703 CG ASP A 44 3.086 -0.770 -15.362 1.00 31.33 C ATOM 704 OD1 ASP A 44 4.294 -1.014 -15.163 1.00 31.13 O ATOM 705 OD2 ASP A 44 2.529 -0.997 -16.456 1.00 34.23 O ATOM 0 H ASP A 44 0.430 2.193 -13.689 1.00 74.52 H new ATOM 0 HA ASP A 44 3.255 1.664 -13.802 1.00 63.12 H new ATOM 0 HB2 ASP A 44 2.618 -0.600 -13.279 1.00 14.34 H new ATOM 0 HB3 ASP A 44 1.221 -0.535 -14.335 1.00 14.34 H new ATOM 710 N PRO A 45 0.902 1.802 -16.191 1.00 70.44 N ATOM 711 CA PRO A 45 0.680 2.241 -17.579 1.00 63.51 C ATOM 712 C PRO A 45 0.867 3.744 -17.783 1.00 35.21 C ATOM 713 O PRO A 45 1.391 4.175 -18.816 1.00 72.13 O ATOM 714 CB PRO A 45 -0.774 1.850 -17.875 1.00 53.12 C ATOM 715 CG PRO A 45 -1.123 0.831 -16.850 1.00 71.44 C ATOM 716 CD PRO A 45 -0.327 1.221 -15.614 1.00 52.44 C ATOM 0 HA PRO A 45 1.408 1.776 -18.244 1.00 63.51 H new ATOM 0 HB2 PRO A 45 -1.435 2.715 -17.811 1.00 53.12 H new ATOM 0 HB3 PRO A 45 -0.875 1.446 -18.882 1.00 53.12 H new ATOM 0 HG2 PRO A 45 -2.194 0.829 -16.645 1.00 71.44 H new ATOM 0 HG3 PRO A 45 -0.861 -0.172 -17.187 1.00 71.44 H new ATOM 0 HD2 PRO A 45 -0.864 1.941 -14.997 1.00 52.44 H new ATOM 0 HD3 PRO A 45 -0.110 0.359 -14.983 1.00 52.44 H new ATOM 724 N GLY A 46 0.440 4.538 -16.816 1.00 0.35 N ATOM 725 CA GLY A 46 0.543 5.972 -16.952 1.00 71.23 C ATOM 726 C GLY A 46 1.473 6.593 -15.934 1.00 24.20 C ATOM 727 O GLY A 46 1.822 5.969 -14.932 1.00 12.24 O ATOM 0 H GLY A 46 0.025 4.216 -15.942 1.00 0.35 H new ATOM 0 HA2 GLY A 46 0.897 6.213 -17.955 1.00 71.23 H new ATOM 0 HA3 GLY A 46 -0.448 6.414 -16.849 1.00 71.23 H new ATOM 731 N GLN A 47 1.888 7.822 -16.202 1.00 13.43 N ATOM 732 CA GLN A 47 2.718 8.575 -15.273 1.00 33.54 C ATOM 733 C GLN A 47 1.836 9.160 -14.176 1.00 71.12 C ATOM 734 O GLN A 47 1.426 10.321 -14.231 1.00 12.12 O ATOM 735 CB GLN A 47 3.476 9.673 -16.021 1.00 44.53 C ATOM 736 CG GLN A 47 4.458 10.449 -15.161 1.00 34.43 C ATOM 737 CD GLN A 47 5.250 11.467 -15.957 1.00 61.22 C ATOM 738 OE1 GLN A 47 6.393 11.781 -15.623 1.00 54.33 O ATOM 739 NE2 GLN A 47 4.653 11.989 -17.017 1.00 34.53 N ATOM 0 H GLN A 47 1.662 8.322 -17.062 1.00 13.43 H new ATOM 0 HA GLN A 47 3.455 7.916 -14.813 1.00 33.54 H new ATOM 0 HB2 GLN A 47 4.017 9.223 -16.854 1.00 44.53 H new ATOM 0 HB3 GLN A 47 2.755 10.370 -16.448 1.00 44.53 H new ATOM 0 HG2 GLN A 47 3.915 10.958 -14.365 1.00 34.43 H new ATOM 0 HG3 GLN A 47 5.146 9.752 -14.682 1.00 34.43 H new ATOM 0 HE21 GLN A 47 3.705 11.703 -17.261 1.00 34.53 H new ATOM 0 HE22 GLN A 47 5.141 12.677 -17.590 1.00 34.53 H new ATOM 748 N VAL A 48 1.514 8.327 -13.204 1.00 14.30 N ATOM 749 CA VAL A 48 0.531 8.666 -12.189 1.00 14.11 C ATOM 750 C VAL A 48 1.186 8.971 -10.844 1.00 52.13 C ATOM 751 O VAL A 48 2.222 8.400 -10.504 1.00 13.34 O ATOM 752 CB VAL A 48 -0.481 7.505 -12.032 1.00 34.52 C ATOM 753 CG1 VAL A 48 0.240 6.197 -11.740 1.00 51.15 C ATOM 754 CG2 VAL A 48 -1.510 7.803 -10.954 1.00 5.03 C ATOM 0 H VAL A 48 1.924 7.399 -13.095 1.00 14.30 H new ATOM 0 HA VAL A 48 0.011 9.567 -12.515 1.00 14.11 H new ATOM 0 HB VAL A 48 -1.013 7.403 -12.978 1.00 34.52 H new ATOM 0 HG11 VAL A 48 -0.490 5.395 -11.633 1.00 51.15 H new ATOM 0 HG12 VAL A 48 0.918 5.964 -12.561 1.00 51.15 H new ATOM 0 HG13 VAL A 48 0.810 6.294 -10.816 1.00 51.15 H new ATOM 0 HG21 VAL A 48 -2.204 6.966 -10.872 1.00 5.03 H new ATOM 0 HG22 VAL A 48 -1.005 7.951 -10.000 1.00 5.03 H new ATOM 0 HG23 VAL A 48 -2.061 8.706 -11.216 1.00 5.03 H new ATOM 764 N GLU A 49 0.587 9.895 -10.104 1.00 14.42 N ATOM 765 CA GLU A 49 0.994 10.171 -8.736 1.00 12.33 C ATOM 766 C GLU A 49 0.022 9.489 -7.784 1.00 73.21 C ATOM 767 O GLU A 49 -1.186 9.737 -7.833 1.00 2.44 O ATOM 768 CB GLU A 49 1.035 11.683 -8.478 1.00 33.14 C ATOM 769 CG GLU A 49 1.386 12.049 -7.042 1.00 43.13 C ATOM 770 CD GLU A 49 1.647 13.531 -6.867 1.00 71.34 C ATOM 771 OE1 GLU A 49 0.695 14.330 -6.971 1.00 50.04 O ATOM 772 OE2 GLU A 49 2.815 13.905 -6.632 1.00 12.01 O ATOM 0 H GLU A 49 -0.189 10.469 -10.434 1.00 14.42 H new ATOM 0 HA GLU A 49 1.998 9.780 -8.570 1.00 12.33 H new ATOM 0 HB2 GLU A 49 1.765 12.137 -9.148 1.00 33.14 H new ATOM 0 HB3 GLU A 49 0.064 12.112 -8.726 1.00 33.14 H new ATOM 0 HG2 GLU A 49 0.571 11.747 -6.384 1.00 43.13 H new ATOM 0 HG3 GLU A 49 2.269 11.489 -6.733 1.00 43.13 H new ATOM 779 N TRP A 50 0.537 8.617 -6.934 1.00 64.33 N ATOM 780 CA TRP A 50 -0.325 7.811 -6.081 1.00 24.33 C ATOM 781 C TRP A 50 0.428 7.270 -4.882 1.00 32.34 C ATOM 782 O TRP A 50 1.630 7.503 -4.728 1.00 54.42 O ATOM 783 CB TRP A 50 -0.932 6.650 -6.885 1.00 10.35 C ATOM 784 CG TRP A 50 0.070 5.695 -7.472 1.00 12.11 C ATOM 785 CD1 TRP A 50 0.928 5.937 -8.506 1.00 71.30 C ATOM 786 CD2 TRP A 50 0.300 4.336 -7.075 1.00 43.42 C ATOM 787 NE1 TRP A 50 1.683 4.819 -8.767 1.00 22.14 N ATOM 788 CE2 TRP A 50 1.317 3.824 -7.902 1.00 21.54 C ATOM 789 CE3 TRP A 50 -0.252 3.505 -6.094 1.00 64.15 C ATOM 790 CZ2 TRP A 50 1.794 2.521 -7.780 1.00 50.51 C ATOM 791 CZ3 TRP A 50 0.223 2.211 -5.976 1.00 11.13 C ATOM 792 CH2 TRP A 50 1.236 1.732 -6.813 1.00 11.12 C ATOM 0 H TRP A 50 1.536 8.449 -6.815 1.00 64.33 H new ATOM 0 HA TRP A 50 -1.125 8.455 -5.715 1.00 24.33 H new ATOM 0 HB2 TRP A 50 -1.607 6.092 -6.236 1.00 10.35 H new ATOM 0 HB3 TRP A 50 -1.535 7.063 -7.693 1.00 10.35 H new ATOM 0 HD1 TRP A 50 1.003 6.872 -9.041 1.00 71.30 H new ATOM 0 HE1 TRP A 50 2.400 4.743 -9.489 1.00 22.14 H new ATOM 0 HE3 TRP A 50 -1.033 3.867 -5.442 1.00 64.15 H new ATOM 0 HZ2 TRP A 50 2.576 2.148 -8.425 1.00 50.51 H new ATOM 0 HZ3 TRP A 50 -0.196 1.559 -5.224 1.00 11.13 H new ATOM 0 HH2 TRP A 50 1.585 0.717 -6.693 1.00 11.12 H new ATOM 803 N PHE A 51 -0.287 6.566 -4.018 1.00 20.43 N ATOM 804 CA PHE A 51 0.347 5.861 -2.924 1.00 10.41 C ATOM 805 C PHE A 51 -0.620 4.904 -2.243 1.00 44.41 C ATOM 806 O PHE A 51 -1.845 5.033 -2.359 1.00 42.13 O ATOM 807 CB PHE A 51 0.942 6.841 -1.910 1.00 12.23 C ATOM 808 CG PHE A 51 -0.052 7.617 -1.100 1.00 22.42 C ATOM 809 CD1 PHE A 51 -0.523 7.113 0.100 1.00 21.02 C ATOM 810 CD2 PHE A 51 -0.487 8.862 -1.521 1.00 54.41 C ATOM 811 CE1 PHE A 51 -1.413 7.832 0.863 1.00 1.12 C ATOM 812 CE2 PHE A 51 -1.374 9.589 -0.757 1.00 45.33 C ATOM 813 CZ PHE A 51 -1.838 9.074 0.437 1.00 34.44 C ATOM 0 H PHE A 51 -1.302 6.470 -4.056 1.00 20.43 H new ATOM 0 HA PHE A 51 1.160 5.269 -3.345 1.00 10.41 H new ATOM 0 HB2 PHE A 51 1.585 6.285 -1.228 1.00 12.23 H new ATOM 0 HB3 PHE A 51 1.579 7.546 -2.444 1.00 12.23 H new ATOM 0 HD1 PHE A 51 -0.188 6.145 0.441 1.00 21.02 H new ATOM 0 HD2 PHE A 51 -0.128 9.267 -2.456 1.00 54.41 H new ATOM 0 HE1 PHE A 51 -1.779 7.425 1.794 1.00 1.12 H new ATOM 0 HE2 PHE A 51 -1.706 10.561 -1.092 1.00 45.33 H new ATOM 0 HZ PHE A 51 -2.533 9.643 1.037 1.00 34.44 H new ATOM 823 N VAL A 52 -0.050 3.934 -1.544 1.00 31.41 N ATOM 824 CA VAL A 52 -0.832 2.962 -0.795 1.00 71.22 C ATOM 825 C VAL A 52 -0.474 3.035 0.678 1.00 61.21 C ATOM 826 O VAL A 52 0.641 3.430 1.035 1.00 51.32 O ATOM 827 CB VAL A 52 -0.601 1.518 -1.299 1.00 34.05 C ATOM 828 CG1 VAL A 52 -0.942 1.388 -2.772 1.00 63.13 C ATOM 829 CG2 VAL A 52 0.827 1.076 -1.045 1.00 30.55 C ATOM 0 H VAL A 52 0.959 3.799 -1.480 1.00 31.41 H new ATOM 0 HA VAL A 52 -1.883 3.210 -0.943 1.00 71.22 H new ATOM 0 HB VAL A 52 -1.268 0.864 -0.738 1.00 34.05 H new ATOM 0 HG11 VAL A 52 -0.769 0.362 -3.096 1.00 63.13 H new ATOM 0 HG12 VAL A 52 -1.990 1.646 -2.927 1.00 63.13 H new ATOM 0 HG13 VAL A 52 -0.312 2.063 -3.352 1.00 63.13 H new ATOM 0 HG21 VAL A 52 0.963 0.057 -1.409 1.00 30.55 H new ATOM 0 HG22 VAL A 52 1.513 1.743 -1.568 1.00 30.55 H new ATOM 0 HG23 VAL A 52 1.034 1.110 0.025 1.00 30.55 H new ATOM 839 N LEU A 53 -1.411 2.666 1.536 1.00 34.03 N ATOM 840 CA LEU A 53 -1.150 2.701 2.960 1.00 41.10 C ATOM 841 C LEU A 53 -1.970 1.677 3.733 1.00 41.33 C ATOM 842 O LEU A 53 -3.107 1.344 3.374 1.00 64.41 O ATOM 843 CB LEU A 53 -1.331 4.128 3.543 1.00 32.23 C ATOM 844 CG LEU A 53 -2.732 4.796 3.516 1.00 43.11 C ATOM 845 CD1 LEU A 53 -3.358 4.781 2.131 1.00 21.14 C ATOM 846 CD2 LEU A 53 -3.668 4.181 4.549 1.00 52.12 C ATOM 0 H LEU A 53 -2.343 2.344 1.275 1.00 34.03 H new ATOM 0 HA LEU A 53 -0.104 2.422 3.085 1.00 41.10 H new ATOM 0 HB2 LEU A 53 -1.003 4.100 4.582 1.00 32.23 H new ATOM 0 HB3 LEU A 53 -0.645 4.787 3.011 1.00 32.23 H new ATOM 0 HG LEU A 53 -2.579 5.842 3.783 1.00 43.11 H new ATOM 0 HD11 LEU A 53 -4.336 5.260 2.169 1.00 21.14 H new ATOM 0 HD12 LEU A 53 -2.716 5.321 1.436 1.00 21.14 H new ATOM 0 HD13 LEU A 53 -3.472 3.751 1.794 1.00 21.14 H new ATOM 0 HD21 LEU A 53 -4.639 4.674 4.500 1.00 52.12 H new ATOM 0 HD22 LEU A 53 -3.791 3.118 4.342 1.00 52.12 H new ATOM 0 HD23 LEU A 53 -3.245 4.310 5.545 1.00 52.12 H new ATOM 858 N ASN A 54 -1.352 1.155 4.778 1.00 54.25 N ATOM 859 CA ASN A 54 -2.037 0.331 5.758 1.00 33.24 C ATOM 860 C ASN A 54 -2.022 1.062 7.089 1.00 24.25 C ATOM 861 O ASN A 54 -1.141 0.840 7.914 1.00 72.45 O ATOM 862 CB ASN A 54 -1.371 -1.044 5.924 1.00 4.34 C ATOM 863 CG ASN A 54 -1.337 -1.871 4.650 1.00 11.02 C ATOM 864 OD1 ASN A 54 -2.139 -1.675 3.735 1.00 11.02 O ATOM 865 ND2 ASN A 54 -0.425 -2.828 4.598 1.00 54.04 N ATOM 0 H ASN A 54 -0.360 1.291 4.971 1.00 54.25 H new ATOM 0 HA ASN A 54 -3.057 0.159 5.413 1.00 33.24 H new ATOM 0 HB2 ASN A 54 -0.351 -0.902 6.280 1.00 4.34 H new ATOM 0 HB3 ASN A 54 -1.902 -1.603 6.694 1.00 4.34 H new ATOM 0 HD21 ASN A 54 -0.368 -3.435 3.780 1.00 54.04 H new ATOM 0 HD22 ASN A 54 0.222 -2.959 5.376 1.00 54.04 H new ATOM 872 N ALA A 55 -2.966 1.970 7.282 1.00 43.33 N ATOM 873 CA ALA A 55 -2.971 2.783 8.486 1.00 10.44 C ATOM 874 C ALA A 55 -4.377 3.066 8.991 1.00 53.24 C ATOM 875 O ALA A 55 -5.003 4.041 8.586 1.00 24.03 O ATOM 876 CB ALA A 55 -2.227 4.086 8.246 1.00 41.22 C ATOM 0 H ALA A 55 -3.728 2.160 6.631 1.00 43.33 H new ATOM 0 HA ALA A 55 -2.460 2.210 9.260 1.00 10.44 H new ATOM 0 HB1 ALA A 55 -2.239 4.685 9.157 1.00 41.22 H new ATOM 0 HB2 ALA A 55 -1.196 3.870 7.967 1.00 41.22 H new ATOM 0 HB3 ALA A 55 -2.712 4.639 7.442 1.00 41.22 H new ATOM 882 N GLU A 56 -4.864 2.178 9.852 1.00 1.35 N ATOM 883 CA GLU A 56 -6.083 2.414 10.623 1.00 13.42 C ATOM 884 C GLU A 56 -6.360 1.201 11.497 1.00 2.40 C ATOM 885 O GLU A 56 -6.502 1.312 12.714 1.00 42.34 O ATOM 886 CB GLU A 56 -7.288 2.697 9.720 1.00 44.34 C ATOM 887 CG GLU A 56 -8.372 3.510 10.412 1.00 45.40 C ATOM 888 CD GLU A 56 -7.865 4.863 10.884 1.00 0.04 C ATOM 889 OE1 GLU A 56 -7.909 5.829 10.092 1.00 71.20 O ATOM 890 OE2 GLU A 56 -7.401 4.963 12.040 1.00 2.25 O ATOM 0 H GLU A 56 -4.426 1.275 10.036 1.00 1.35 H new ATOM 0 HA GLU A 56 -5.929 3.298 11.242 1.00 13.42 H new ATOM 0 HB2 GLU A 56 -6.952 3.232 8.832 1.00 44.34 H new ATOM 0 HB3 GLU A 56 -7.711 1.751 9.381 1.00 44.34 H new ATOM 0 HG2 GLU A 56 -9.207 3.656 9.727 1.00 45.40 H new ATOM 0 HG3 GLU A 56 -8.754 2.950 11.265 1.00 45.40 H new ATOM 897 N SER A 57 -6.411 0.042 10.860 1.00 2.45 N ATOM 898 CA SER A 57 -6.588 -1.220 11.558 1.00 22.44 C ATOM 899 C SER A 57 -5.540 -2.218 11.072 1.00 45.32 C ATOM 900 O SER A 57 -4.498 -2.384 11.700 1.00 14.22 O ATOM 901 CB SER A 57 -8.007 -1.752 11.323 1.00 5.22 C ATOM 902 OG SER A 57 -8.319 -1.795 9.933 1.00 45.23 O ATOM 0 H SER A 57 -6.331 -0.050 9.847 1.00 2.45 H new ATOM 0 HA SER A 57 -6.456 -1.071 12.630 1.00 22.44 H new ATOM 0 HB2 SER A 57 -8.099 -2.751 11.750 1.00 5.22 H new ATOM 0 HB3 SER A 57 -8.726 -1.117 11.840 1.00 5.22 H new ATOM 0 HG SER A 57 -9.181 -2.243 9.805 1.00 45.23 H new ATOM 908 N ASN A 58 -5.840 -2.845 9.929 1.00 50.42 N ATOM 909 CA ASN A 58 -4.907 -3.705 9.183 1.00 44.14 C ATOM 910 C ASN A 58 -4.028 -4.583 10.073 1.00 12.13 C ATOM 911 O ASN A 58 -2.819 -4.671 9.875 1.00 44.11 O ATOM 912 CB ASN A 58 -4.048 -2.869 8.213 1.00 33.33 C ATOM 913 CG ASN A 58 -3.254 -1.753 8.877 1.00 1.14 C ATOM 914 OD1 ASN A 58 -3.772 -0.650 9.093 1.00 40.31 O ATOM 915 ND2 ASN A 58 -1.987 -2.009 9.161 1.00 71.22 N ATOM 0 H ASN A 58 -6.756 -2.769 9.486 1.00 50.42 H new ATOM 0 HA ASN A 58 -5.528 -4.393 8.609 1.00 44.14 H new ATOM 0 HB2 ASN A 58 -3.355 -3.533 7.696 1.00 33.33 H new ATOM 0 HB3 ASN A 58 -4.698 -2.434 7.454 1.00 33.33 H new ATOM 0 HD21 ASN A 58 -1.400 -1.284 9.573 1.00 71.22 H new ATOM 0 HD22 ASN A 58 -1.597 -2.932 8.968 1.00 71.22 H new ATOM 922 N VAL A 59 -4.634 -5.265 11.032 1.00 15.32 N ATOM 923 CA VAL A 59 -3.874 -6.173 11.874 1.00 34.12 C ATOM 924 C VAL A 59 -4.272 -7.625 11.640 1.00 31.41 C ATOM 925 O VAL A 59 -3.414 -8.503 11.579 1.00 31.44 O ATOM 926 CB VAL A 59 -3.994 -5.846 13.375 1.00 11.21 C ATOM 927 CG1 VAL A 59 -3.239 -4.568 13.708 1.00 3.15 C ATOM 928 CG2 VAL A 59 -5.446 -5.733 13.812 1.00 61.22 C ATOM 0 H VAL A 59 -5.630 -5.209 11.244 1.00 15.32 H new ATOM 0 HA VAL A 59 -2.833 -6.033 11.583 1.00 34.12 H new ATOM 0 HB VAL A 59 -3.546 -6.673 13.926 1.00 11.21 H new ATOM 0 HG11 VAL A 59 -3.336 -4.355 14.773 1.00 3.15 H new ATOM 0 HG12 VAL A 59 -2.185 -4.692 13.458 1.00 3.15 H new ATOM 0 HG13 VAL A 59 -3.654 -3.740 13.133 1.00 3.15 H new ATOM 0 HG21 VAL A 59 -5.489 -5.502 14.876 1.00 61.22 H new ATOM 0 HG22 VAL A 59 -5.935 -4.939 13.248 1.00 61.22 H new ATOM 0 HG23 VAL A 59 -5.957 -6.678 13.625 1.00 61.22 H new ATOM 938 N GLU A 60 -5.568 -7.880 11.489 1.00 31.13 N ATOM 939 CA GLU A 60 -6.044 -9.241 11.297 1.00 61.14 C ATOM 940 C GLU A 60 -6.397 -9.452 9.842 1.00 2.25 C ATOM 941 O GLU A 60 -6.588 -10.577 9.388 1.00 11.34 O ATOM 942 CB GLU A 60 -7.273 -9.507 12.157 1.00 71.41 C ATOM 943 CG GLU A 60 -7.051 -9.280 13.642 1.00 74.42 C ATOM 944 CD GLU A 60 -8.327 -9.436 14.435 1.00 54.34 C ATOM 945 OE1 GLU A 60 -9.138 -8.485 14.448 1.00 23.20 O ATOM 946 OE2 GLU A 60 -8.534 -10.512 15.040 1.00 31.02 O ATOM 0 H GLU A 60 -6.299 -7.169 11.496 1.00 31.13 H new ATOM 0 HA GLU A 60 -5.253 -9.931 11.592 1.00 61.14 H new ATOM 0 HB2 GLU A 60 -8.086 -8.864 11.819 1.00 71.41 H new ATOM 0 HB3 GLU A 60 -7.596 -10.536 12.002 1.00 71.41 H new ATOM 0 HG2 GLU A 60 -6.307 -9.987 14.010 1.00 74.42 H new ATOM 0 HG3 GLU A 60 -6.646 -8.280 13.799 1.00 74.42 H new ATOM 953 N VAL A 61 -6.471 -8.348 9.119 1.00 52.03 N ATOM 954 CA VAL A 61 -6.896 -8.360 7.733 1.00 3.25 C ATOM 955 C VAL A 61 -5.873 -9.068 6.851 1.00 24.20 C ATOM 956 O VAL A 61 -6.206 -9.645 5.813 1.00 25.11 O ATOM 957 CB VAL A 61 -7.120 -6.918 7.207 1.00 2.04 C ATOM 958 CG1 VAL A 61 -7.975 -6.122 8.178 1.00 13.52 C ATOM 959 CG2 VAL A 61 -5.800 -6.203 6.950 1.00 41.24 C ATOM 0 H VAL A 61 -6.239 -7.421 9.476 1.00 52.03 H new ATOM 0 HA VAL A 61 -7.839 -8.905 7.689 1.00 3.25 H new ATOM 0 HB VAL A 61 -7.647 -6.993 6.256 1.00 2.04 H new ATOM 0 HG11 VAL A 61 -8.121 -5.113 7.792 1.00 13.52 H new ATOM 0 HG12 VAL A 61 -8.943 -6.610 8.295 1.00 13.52 H new ATOM 0 HG13 VAL A 61 -7.475 -6.071 9.145 1.00 13.52 H new ATOM 0 HG21 VAL A 61 -5.997 -5.196 6.583 1.00 41.24 H new ATOM 0 HG22 VAL A 61 -5.231 -6.146 7.878 1.00 41.24 H new ATOM 0 HG23 VAL A 61 -5.226 -6.755 6.206 1.00 41.24 H new ATOM 969 N ASP A 62 -4.640 -9.067 7.308 1.00 30.02 N ATOM 970 CA ASP A 62 -3.524 -9.410 6.459 1.00 14.33 C ATOM 971 C ASP A 62 -2.591 -10.390 7.156 1.00 14.44 C ATOM 972 O ASP A 62 -2.266 -10.225 8.336 1.00 24.14 O ATOM 973 CB ASP A 62 -2.800 -8.111 6.103 1.00 52.42 C ATOM 974 CG ASP A 62 -1.675 -8.279 5.088 1.00 1.22 C ATOM 975 OD1 ASP A 62 -1.051 -9.362 5.036 1.00 4.02 O ATOM 976 OD2 ASP A 62 -1.429 -7.328 4.317 1.00 2.12 O ATOM 0 H ASP A 62 -4.386 -8.831 8.267 1.00 30.02 H new ATOM 0 HA ASP A 62 -3.873 -9.904 5.552 1.00 14.33 H new ATOM 0 HB2 ASP A 62 -3.526 -7.400 5.709 1.00 52.42 H new ATOM 0 HB3 ASP A 62 -2.390 -7.676 7.014 1.00 52.42 H new ATOM 981 N LEU A 63 -2.181 -11.424 6.429 1.00 41.35 N ATOM 982 CA LEU A 63 -1.255 -12.413 6.964 1.00 54.12 C ATOM 983 C LEU A 63 0.046 -12.411 6.159 1.00 52.52 C ATOM 984 O LEU A 63 1.138 -12.528 6.719 1.00 52.14 O ATOM 985 CB LEU A 63 -1.870 -13.818 6.944 1.00 40.05 C ATOM 986 CG LEU A 63 -3.277 -13.954 7.547 1.00 24.24 C ATOM 987 CD1 LEU A 63 -3.641 -15.419 7.706 1.00 22.23 C ATOM 988 CD2 LEU A 63 -3.387 -13.241 8.884 1.00 43.21 C ATOM 0 H LEU A 63 -2.476 -11.598 5.468 1.00 41.35 H new ATOM 0 HA LEU A 63 -1.042 -12.144 7.999 1.00 54.12 H new ATOM 0 HB2 LEU A 63 -1.906 -14.161 5.910 1.00 40.05 H new ATOM 0 HB3 LEU A 63 -1.201 -14.492 7.480 1.00 40.05 H new ATOM 0 HG LEU A 63 -3.978 -13.481 6.859 1.00 24.24 H new ATOM 0 HD11 LEU A 63 -4.640 -15.501 8.134 1.00 22.23 H new ATOM 0 HD12 LEU A 63 -3.623 -15.906 6.731 1.00 22.23 H new ATOM 0 HD13 LEU A 63 -2.922 -15.903 8.367 1.00 22.23 H new ATOM 0 HD21 LEU A 63 -4.396 -13.360 9.278 1.00 43.21 H new ATOM 0 HD22 LEU A 63 -2.671 -13.670 9.585 1.00 43.21 H new ATOM 0 HD23 LEU A 63 -3.173 -12.181 8.750 1.00 43.21 H new ATOM 1000 N THR A 64 -0.080 -12.307 4.838 1.00 71.14 N ATOM 1001 CA THR A 64 1.076 -12.269 3.935 1.00 11.42 C ATOM 1002 C THR A 64 0.710 -11.463 2.674 1.00 14.31 C ATOM 1003 O THR A 64 1.385 -11.497 1.621 1.00 31.55 O ATOM 1004 CB THR A 64 1.529 -13.703 3.565 1.00 53.51 C ATOM 1005 OG1 THR A 64 1.631 -14.499 4.756 1.00 12.34 O ATOM 1006 CG2 THR A 64 2.880 -13.705 2.865 1.00 11.10 C ATOM 0 H THR A 64 -0.980 -12.247 4.362 1.00 71.14 H new ATOM 0 HA THR A 64 1.911 -11.781 4.438 1.00 11.42 H new ATOM 0 HB THR A 64 0.784 -14.117 2.885 1.00 53.51 H new ATOM 0 HG1 THR A 64 1.916 -15.406 4.520 1.00 12.34 H new ATOM 0 HG21 THR A 64 3.162 -14.729 2.622 1.00 11.10 H new ATOM 0 HG22 THR A 64 2.816 -13.119 1.948 1.00 11.10 H new ATOM 0 HG23 THR A 64 3.631 -13.268 3.523 1.00 11.10 H new ATOM 1014 N ALA A 65 -0.351 -10.684 2.810 1.00 32.33 N ATOM 1015 CA ALA A 65 -0.842 -9.882 1.714 1.00 35.41 C ATOM 1016 C ALA A 65 0.140 -8.772 1.423 1.00 14.25 C ATOM 1017 O ALA A 65 0.182 -8.263 0.314 1.00 74.05 O ATOM 1018 CB ALA A 65 -2.219 -9.320 2.025 1.00 22.41 C ATOM 0 H ALA A 65 -0.886 -10.594 3.673 1.00 32.33 H new ATOM 0 HA ALA A 65 -0.938 -10.512 0.830 1.00 35.41 H new ATOM 0 HB1 ALA A 65 -2.566 -8.720 1.184 1.00 22.41 H new ATOM 0 HB2 ALA A 65 -2.916 -10.140 2.198 1.00 22.41 H new ATOM 0 HB3 ALA A 65 -2.164 -8.696 2.917 1.00 22.41 H new ATOM 1024 N LEU A 66 0.935 -8.402 2.427 1.00 73.31 N ATOM 1025 CA LEU A 66 2.012 -7.448 2.212 1.00 14.31 C ATOM 1026 C LEU A 66 3.114 -8.040 1.354 1.00 1.03 C ATOM 1027 O LEU A 66 3.849 -7.307 0.721 1.00 75.31 O ATOM 1028 CB LEU A 66 2.613 -6.862 3.511 1.00 5.32 C ATOM 1029 CG LEU A 66 3.116 -7.815 4.632 1.00 45.01 C ATOM 1030 CD1 LEU A 66 1.960 -8.455 5.385 1.00 63.04 C ATOM 1031 CD2 LEU A 66 4.050 -8.894 4.103 1.00 5.33 C ATOM 0 H LEU A 66 0.852 -8.746 3.384 1.00 73.31 H new ATOM 0 HA LEU A 66 1.545 -6.616 1.686 1.00 14.31 H new ATOM 0 HB2 LEU A 66 3.452 -6.228 3.223 1.00 5.32 H new ATOM 0 HB3 LEU A 66 1.859 -6.211 3.953 1.00 5.32 H new ATOM 0 HG LEU A 66 3.683 -7.192 5.324 1.00 45.01 H new ATOM 0 HD11 LEU A 66 2.351 -9.114 6.160 1.00 63.04 H new ATOM 0 HD12 LEU A 66 1.350 -7.677 5.844 1.00 63.04 H new ATOM 0 HD13 LEU A 66 1.350 -9.033 4.691 1.00 63.04 H new ATOM 0 HD21 LEU A 66 4.372 -9.532 4.926 1.00 5.33 H new ATOM 0 HD22 LEU A 66 3.527 -9.496 3.360 1.00 5.33 H new ATOM 0 HD23 LEU A 66 4.921 -8.428 3.643 1.00 5.33 H new ATOM 1043 N ASP A 67 3.248 -9.360 1.339 1.00 51.43 N ATOM 1044 CA ASP A 67 4.227 -9.978 0.469 1.00 64.13 C ATOM 1045 C ASP A 67 3.822 -9.684 -0.944 1.00 54.44 C ATOM 1046 O ASP A 67 4.571 -9.064 -1.705 1.00 70.35 O ATOM 1047 CB ASP A 67 4.319 -11.489 0.683 1.00 51.32 C ATOM 1048 CG ASP A 67 5.128 -12.182 -0.402 1.00 31.32 C ATOM 1049 OD1 ASP A 67 6.374 -12.130 -0.354 1.00 44.12 O ATOM 1050 OD2 ASP A 67 4.518 -12.778 -1.313 1.00 43.42 O ATOM 0 H ASP A 67 2.702 -10.007 1.908 1.00 51.43 H new ATOM 0 HA ASP A 67 5.213 -9.571 0.694 1.00 64.13 H new ATOM 0 HB2 ASP A 67 4.773 -11.688 1.654 1.00 51.32 H new ATOM 0 HB3 ASP A 67 3.314 -11.911 0.708 1.00 51.32 H new ATOM 1055 N ALA A 68 2.591 -10.073 -1.256 1.00 73.30 N ATOM 1056 CA ALA A 68 2.012 -9.780 -2.560 1.00 25.21 C ATOM 1057 C ALA A 68 2.047 -8.273 -2.832 1.00 53.15 C ATOM 1058 O ALA A 68 2.687 -7.810 -3.782 1.00 60.11 O ATOM 1059 CB ALA A 68 0.584 -10.296 -2.632 1.00 61.42 C ATOM 0 H ALA A 68 1.977 -10.590 -0.626 1.00 73.30 H new ATOM 0 HA ALA A 68 2.603 -10.285 -3.324 1.00 25.21 H new ATOM 0 HB1 ALA A 68 0.164 -10.070 -3.612 1.00 61.42 H new ATOM 0 HB2 ALA A 68 0.579 -11.375 -2.475 1.00 61.42 H new ATOM 0 HB3 ALA A 68 -0.016 -9.814 -1.860 1.00 61.42 H new ATOM 1065 N LEU A 69 1.401 -7.528 -1.944 1.00 73.40 N ATOM 1066 CA LEU A 69 1.216 -6.089 -2.079 1.00 72.10 C ATOM 1067 C LEU A 69 2.550 -5.358 -2.214 1.00 1.44 C ATOM 1068 O LEU A 69 2.756 -4.636 -3.187 1.00 34.14 O ATOM 1069 CB LEU A 69 0.424 -5.564 -0.869 1.00 42.34 C ATOM 1070 CG LEU A 69 -0.052 -4.106 -0.927 1.00 23.52 C ATOM 1071 CD1 LEU A 69 -1.281 -3.923 -0.054 1.00 32.52 C ATOM 1072 CD2 LEU A 69 1.043 -3.158 -0.462 1.00 0.35 C ATOM 0 H LEU A 69 0.984 -7.913 -1.096 1.00 73.40 H new ATOM 0 HA LEU A 69 0.655 -5.895 -2.993 1.00 72.10 H new ATOM 0 HB2 LEU A 69 -0.450 -6.201 -0.734 1.00 42.34 H new ATOM 0 HB3 LEU A 69 1.044 -5.683 0.019 1.00 42.34 H new ATOM 0 HG LEU A 69 -0.301 -3.873 -1.962 1.00 23.52 H new ATOM 0 HD11 LEU A 69 -1.610 -2.885 -0.102 1.00 32.52 H new ATOM 0 HD12 LEU A 69 -2.080 -4.574 -0.409 1.00 32.52 H new ATOM 0 HD13 LEU A 69 -1.036 -4.178 0.977 1.00 32.52 H new ATOM 0 HD21 LEU A 69 0.681 -2.131 -0.512 1.00 0.35 H new ATOM 0 HD22 LEU A 69 1.318 -3.396 0.566 1.00 0.35 H new ATOM 0 HD23 LEU A 69 1.916 -3.267 -1.106 1.00 0.35 H new ATOM 1084 N ASP A 70 3.452 -5.550 -1.250 1.00 45.21 N ATOM 1085 CA ASP A 70 4.705 -4.796 -1.228 1.00 74.03 C ATOM 1086 C ASP A 70 5.480 -5.038 -2.493 1.00 42.42 C ATOM 1087 O ASP A 70 5.723 -4.110 -3.236 1.00 74.22 O ATOM 1088 CB ASP A 70 5.610 -5.165 -0.055 1.00 72.02 C ATOM 1089 CG ASP A 70 6.618 -4.067 0.269 1.00 74.22 C ATOM 1090 OD1 ASP A 70 7.617 -3.921 -0.467 1.00 54.33 O ATOM 1091 OD2 ASP A 70 6.400 -3.321 1.249 1.00 43.34 O ATOM 0 H ASP A 70 3.340 -6.213 -0.483 1.00 45.21 H new ATOM 0 HA ASP A 70 4.418 -3.749 -1.127 1.00 74.03 H new ATOM 0 HB2 ASP A 70 4.998 -5.363 0.825 1.00 72.02 H new ATOM 0 HB3 ASP A 70 6.143 -6.087 -0.287 1.00 72.02 H new ATOM 1096 N GLN A 71 5.834 -6.293 -2.751 1.00 52.24 N ATOM 1097 CA GLN A 71 6.727 -6.605 -3.859 1.00 10.31 C ATOM 1098 C GLN A 71 6.189 -6.040 -5.172 1.00 25.13 C ATOM 1099 O GLN A 71 6.967 -5.572 -6.001 1.00 40.31 O ATOM 1100 CB GLN A 71 6.953 -8.115 -3.976 1.00 22.35 C ATOM 1101 CG GLN A 71 6.172 -8.769 -5.100 1.00 20.44 C ATOM 1102 CD GLN A 71 5.781 -10.182 -4.777 1.00 15.31 C ATOM 1103 OE1 GLN A 71 6.475 -11.140 -5.121 1.00 33.44 O ATOM 1104 NE2 GLN A 71 4.688 -10.308 -4.064 1.00 51.33 N ATOM 0 H GLN A 71 5.520 -7.102 -2.214 1.00 52.24 H new ATOM 0 HA GLN A 71 7.687 -6.133 -3.653 1.00 10.31 H new ATOM 0 HB2 GLN A 71 8.016 -8.302 -4.129 1.00 22.35 H new ATOM 0 HB3 GLN A 71 6.678 -8.588 -3.033 1.00 22.35 H new ATOM 0 HG2 GLN A 71 5.275 -8.184 -5.304 1.00 20.44 H new ATOM 0 HG3 GLN A 71 6.772 -8.760 -6.010 1.00 20.44 H new ATOM 0 HE21 GLN A 71 4.149 -9.481 -3.806 1.00 51.33 H new ATOM 0 HE22 GLN A 71 4.376 -11.233 -3.768 1.00 51.33 H new ATOM 1113 N LEU A 72 4.863 -6.048 -5.355 1.00 3.50 N ATOM 1114 CA LEU A 72 4.301 -5.558 -6.603 1.00 61.32 C ATOM 1115 C LEU A 72 4.280 -4.030 -6.628 1.00 41.42 C ATOM 1116 O LEU A 72 4.879 -3.431 -7.509 1.00 32.23 O ATOM 1117 CB LEU A 72 2.915 -6.178 -6.908 1.00 22.01 C ATOM 1118 CG LEU A 72 1.711 -5.701 -6.081 1.00 5.35 C ATOM 1119 CD1 LEU A 72 1.039 -4.496 -6.729 1.00 15.34 C ATOM 1120 CD2 LEU A 72 0.707 -6.829 -5.918 1.00 24.32 C ATOM 0 H LEU A 72 4.182 -6.380 -4.672 1.00 3.50 H new ATOM 0 HA LEU A 72 4.955 -5.887 -7.411 1.00 61.32 H new ATOM 0 HB2 LEU A 72 2.691 -5.994 -7.959 1.00 22.01 H new ATOM 0 HB3 LEU A 72 2.998 -7.258 -6.784 1.00 22.01 H new ATOM 0 HG LEU A 72 2.076 -5.400 -5.099 1.00 5.35 H new ATOM 0 HD11 LEU A 72 0.191 -4.182 -6.121 1.00 15.34 H new ATOM 0 HD12 LEU A 72 1.755 -3.677 -6.805 1.00 15.34 H new ATOM 0 HD13 LEU A 72 0.690 -4.766 -7.726 1.00 15.34 H new ATOM 0 HD21 LEU A 72 -0.142 -6.479 -5.330 1.00 24.32 H new ATOM 0 HD22 LEU A 72 0.360 -7.152 -6.900 1.00 24.32 H new ATOM 0 HD23 LEU A 72 1.181 -7.667 -5.407 1.00 24.32 H new ATOM 1132 N ARG A 73 3.665 -3.380 -5.642 1.00 50.34 N ATOM 1133 CA ARG A 73 3.553 -1.923 -5.699 1.00 73.33 C ATOM 1134 C ARG A 73 4.883 -1.263 -5.368 1.00 64.40 C ATOM 1135 O ARG A 73 5.049 -0.083 -5.587 1.00 55.54 O ATOM 1136 CB ARG A 73 2.413 -1.383 -4.817 1.00 13.15 C ATOM 1137 CG ARG A 73 2.516 -1.702 -3.334 1.00 64.02 C ATOM 1138 CD ARG A 73 3.428 -0.741 -2.586 1.00 62.24 C ATOM 1139 NE ARG A 73 3.377 -0.986 -1.143 1.00 54.24 N ATOM 1140 CZ ARG A 73 4.399 -1.451 -0.433 1.00 53.32 C ATOM 1141 NH1 ARG A 73 5.591 -1.566 -0.988 1.00 72.44 N ATOM 1142 NH2 ARG A 73 4.238 -1.773 0.843 1.00 35.42 N ATOM 0 H ARG A 73 3.249 -3.819 -4.821 1.00 50.34 H new ATOM 0 HA ARG A 73 3.293 -1.661 -6.725 1.00 73.33 H new ATOM 0 HB2 ARG A 73 2.370 -0.300 -4.934 1.00 13.15 H new ATOM 0 HB3 ARG A 73 1.470 -1.782 -5.191 1.00 13.15 H new ATOM 0 HG2 ARG A 73 1.521 -1.671 -2.890 1.00 64.02 H new ATOM 0 HG3 ARG A 73 2.888 -2.719 -3.211 1.00 64.02 H new ATOM 0 HD2 ARG A 73 4.452 -0.854 -2.942 1.00 62.24 H new ATOM 0 HD3 ARG A 73 3.130 0.286 -2.795 1.00 62.24 H new ATOM 0 HE ARG A 73 2.504 -0.788 -0.654 1.00 54.24 H new ATOM 0 HH11 ARG A 73 5.728 -1.298 -1.963 1.00 72.44 H new ATOM 0 HH12 ARG A 73 6.375 -1.923 -0.442 1.00 72.44 H new ATOM 0 HH21 ARG A 73 3.325 -1.664 1.285 1.00 35.42 H new ATOM 0 HH22 ARG A 73 5.027 -2.130 1.382 1.00 35.42 H new ATOM 1156 N THR A 74 5.813 -2.035 -4.834 1.00 51.33 N ATOM 1157 CA THR A 74 7.201 -1.608 -4.684 1.00 43.00 C ATOM 1158 C THR A 74 7.870 -1.609 -6.052 1.00 74.35 C ATOM 1159 O THR A 74 8.541 -0.656 -6.445 1.00 4.53 O ATOM 1160 CB THR A 74 7.957 -2.557 -3.714 1.00 21.03 C ATOM 1161 OG1 THR A 74 7.871 -2.074 -2.371 1.00 32.54 O ATOM 1162 CG2 THR A 74 9.412 -2.761 -4.099 1.00 51.13 C ATOM 0 H THR A 74 5.631 -2.978 -4.490 1.00 51.33 H new ATOM 0 HA THR A 74 7.229 -0.602 -4.265 1.00 43.00 H new ATOM 0 HB THR A 74 7.467 -3.528 -3.787 1.00 21.03 H new ATOM 0 HG1 THR A 74 7.652 -2.816 -1.770 1.00 32.54 H new ATOM 0 HG21 THR A 74 9.887 -3.433 -3.384 1.00 51.13 H new ATOM 0 HG22 THR A 74 9.467 -3.195 -5.097 1.00 51.13 H new ATOM 0 HG23 THR A 74 9.928 -1.801 -4.092 1.00 51.13 H new ATOM 1170 N GLU A 75 7.622 -2.683 -6.788 1.00 54.13 N ATOM 1171 CA GLU A 75 8.202 -2.884 -8.100 1.00 63.32 C ATOM 1172 C GLU A 75 7.584 -1.919 -9.116 1.00 35.21 C ATOM 1173 O GLU A 75 8.154 -1.665 -10.179 1.00 3.11 O ATOM 1174 CB GLU A 75 7.976 -4.342 -8.498 1.00 15.03 C ATOM 1175 CG GLU A 75 8.759 -4.794 -9.718 1.00 62.14 C ATOM 1176 CD GLU A 75 8.663 -6.289 -9.936 1.00 13.31 C ATOM 1177 OE1 GLU A 75 7.692 -6.739 -10.571 1.00 62.14 O ATOM 1178 OE2 GLU A 75 9.561 -7.022 -9.467 1.00 23.42 O ATOM 0 H GLU A 75 7.009 -3.441 -6.487 1.00 54.13 H new ATOM 0 HA GLU A 75 9.272 -2.676 -8.080 1.00 63.32 H new ATOM 0 HB2 GLU A 75 8.242 -4.980 -7.655 1.00 15.03 H new ATOM 0 HB3 GLU A 75 6.913 -4.492 -8.689 1.00 15.03 H new ATOM 0 HG2 GLU A 75 8.385 -4.275 -10.601 1.00 62.14 H new ATOM 0 HG3 GLU A 75 9.805 -4.512 -9.601 1.00 62.14 H new ATOM 1185 N LEU A 76 6.420 -1.378 -8.777 1.00 43.05 N ATOM 1186 CA LEU A 76 5.764 -0.383 -9.617 1.00 4.12 C ATOM 1187 C LEU A 76 5.920 1.031 -9.046 1.00 12.23 C ATOM 1188 O LEU A 76 5.774 2.017 -9.765 1.00 60.51 O ATOM 1189 CB LEU A 76 4.277 -0.715 -9.806 1.00 13.54 C ATOM 1190 CG LEU A 76 3.960 -1.797 -10.849 1.00 32.24 C ATOM 1191 CD1 LEU A 76 4.775 -1.574 -12.111 1.00 23.23 C ATOM 1192 CD2 LEU A 76 4.200 -3.198 -10.306 1.00 1.20 C ATOM 0 H LEU A 76 5.910 -1.612 -7.925 1.00 43.05 H new ATOM 0 HA LEU A 76 6.255 -0.411 -10.590 1.00 4.12 H new ATOM 0 HB2 LEU A 76 3.870 -1.033 -8.846 1.00 13.54 H new ATOM 0 HB3 LEU A 76 3.753 0.199 -10.087 1.00 13.54 H new ATOM 0 HG LEU A 76 2.900 -1.715 -11.090 1.00 32.24 H new ATOM 0 HD11 LEU A 76 4.538 -2.350 -12.839 1.00 23.23 H new ATOM 0 HD12 LEU A 76 4.536 -0.597 -12.531 1.00 23.23 H new ATOM 0 HD13 LEU A 76 5.837 -1.615 -11.870 1.00 23.23 H new ATOM 0 HD21 LEU A 76 3.963 -3.932 -11.076 1.00 1.20 H new ATOM 0 HD22 LEU A 76 5.245 -3.301 -10.015 1.00 1.20 H new ATOM 0 HD23 LEU A 76 3.563 -3.366 -9.437 1.00 1.20 H new ATOM 1204 N LEU A 77 6.232 1.128 -7.759 1.00 13.32 N ATOM 1205 CA LEU A 77 6.438 2.427 -7.120 1.00 5.21 C ATOM 1206 C LEU A 77 7.708 3.055 -7.648 1.00 64.32 C ATOM 1207 O LEU A 77 7.761 4.246 -7.949 1.00 70.13 O ATOM 1208 CB LEU A 77 6.520 2.269 -5.600 1.00 23.20 C ATOM 1209 CG LEU A 77 6.453 3.555 -4.780 1.00 63.11 C ATOM 1210 CD1 LEU A 77 5.924 3.240 -3.396 1.00 61.15 C ATOM 1211 CD2 LEU A 77 7.822 4.207 -4.673 1.00 43.43 C ATOM 0 H LEU A 77 6.348 0.328 -7.138 1.00 13.32 H new ATOM 0 HA LEU A 77 5.592 3.074 -7.353 1.00 5.21 H new ATOM 0 HB2 LEU A 77 5.707 1.617 -5.280 1.00 23.20 H new ATOM 0 HB3 LEU A 77 7.452 1.758 -5.359 1.00 23.20 H new ATOM 0 HG LEU A 77 5.784 4.254 -5.282 1.00 63.11 H new ATOM 0 HD11 LEU A 77 5.875 4.156 -2.808 1.00 61.15 H new ATOM 0 HD12 LEU A 77 4.927 2.807 -3.477 1.00 61.15 H new ATOM 0 HD13 LEU A 77 6.589 2.529 -2.905 1.00 61.15 H new ATOM 0 HD21 LEU A 77 7.745 5.121 -4.084 1.00 43.43 H new ATOM 0 HD22 LEU A 77 8.515 3.520 -4.188 1.00 43.43 H new ATOM 0 HD23 LEU A 77 8.189 4.448 -5.671 1.00 43.43 H new ATOM 1223 N ARG A 78 8.719 2.223 -7.795 1.00 43.51 N ATOM 1224 CA ARG A 78 10.016 2.644 -8.298 1.00 41.34 C ATOM 1225 C ARG A 78 9.965 2.996 -9.793 1.00 13.23 C ATOM 1226 O ARG A 78 10.998 3.052 -10.461 1.00 74.35 O ATOM 1227 CB ARG A 78 11.016 1.517 -8.065 1.00 12.35 C ATOM 1228 CG ARG A 78 10.580 0.193 -8.673 1.00 13.33 C ATOM 1229 CD ARG A 78 11.702 -0.822 -8.638 1.00 72.14 C ATOM 1230 NE ARG A 78 12.858 -0.341 -9.387 1.00 22.11 N ATOM 1231 CZ ARG A 78 14.019 0.004 -8.829 1.00 0.13 C ATOM 1232 NH1 ARG A 78 14.211 -0.179 -7.529 1.00 31.31 N ATOM 1233 NH2 ARG A 78 14.984 0.529 -9.570 1.00 42.45 N ATOM 0 H ARG A 78 8.666 1.230 -7.568 1.00 43.51 H new ATOM 0 HA ARG A 78 10.320 3.545 -7.764 1.00 41.34 H new ATOM 0 HB2 ARG A 78 11.980 1.803 -8.486 1.00 12.35 H new ATOM 0 HB3 ARG A 78 11.163 1.386 -6.993 1.00 12.35 H new ATOM 0 HG2 ARG A 78 9.719 -0.194 -8.128 1.00 13.33 H new ATOM 0 HG3 ARG A 78 10.261 0.351 -9.703 1.00 13.33 H new ATOM 0 HD2 ARG A 78 11.988 -1.019 -7.605 1.00 72.14 H new ATOM 0 HD3 ARG A 78 11.357 -1.767 -9.059 1.00 72.14 H new ATOM 0 HE ARG A 78 12.773 -0.264 -10.401 1.00 22.11 H new ATOM 0 HH11 ARG A 78 13.470 -0.584 -6.956 1.00 31.31 H new ATOM 0 HH12 ARG A 78 15.099 0.085 -7.103 1.00 31.31 H new ATOM 0 HH21 ARG A 78 14.840 0.670 -10.570 1.00 42.45 H new ATOM 0 HH22 ARG A 78 15.871 0.792 -9.141 1.00 42.45 H new ATOM 1247 N ARG A 79 8.766 3.231 -10.309 1.00 23.14 N ATOM 1248 CA ARG A 79 8.584 3.557 -11.717 1.00 3.10 C ATOM 1249 C ARG A 79 8.175 5.021 -11.890 1.00 35.23 C ATOM 1250 O ARG A 79 8.461 5.633 -12.919 1.00 3.12 O ATOM 1251 CB ARG A 79 7.523 2.644 -12.339 1.00 55.33 C ATOM 1252 CG ARG A 79 7.778 1.160 -12.118 1.00 74.02 C ATOM 1253 CD ARG A 79 9.049 0.694 -12.803 1.00 74.41 C ATOM 1254 NE ARG A 79 8.931 0.738 -14.258 1.00 74.12 N ATOM 1255 CZ ARG A 79 9.737 0.079 -15.089 1.00 44.12 C ATOM 1256 NH1 ARG A 79 10.739 -0.648 -14.617 1.00 13.41 N ATOM 1257 NH2 ARG A 79 9.541 0.149 -16.395 1.00 55.01 N ATOM 0 H ARG A 79 7.901 3.202 -9.770 1.00 23.14 H new ATOM 0 HA ARG A 79 9.535 3.401 -12.226 1.00 3.10 H new ATOM 0 HB2 ARG A 79 6.549 2.901 -11.923 1.00 55.33 H new ATOM 0 HB3 ARG A 79 7.474 2.838 -13.410 1.00 55.33 H new ATOM 0 HG2 ARG A 79 7.848 0.959 -11.049 1.00 74.02 H new ATOM 0 HG3 ARG A 79 6.931 0.586 -12.495 1.00 74.02 H new ATOM 0 HD2 ARG A 79 9.883 1.321 -12.487 1.00 74.41 H new ATOM 0 HD3 ARG A 79 9.279 -0.324 -12.488 1.00 74.41 H new ATOM 0 HE ARG A 79 8.187 1.307 -14.662 1.00 74.12 H new ATOM 0 HH11 ARG A 79 10.897 -0.706 -13.611 1.00 13.41 H new ATOM 0 HH12 ARG A 79 11.352 -1.150 -15.260 1.00 13.41 H new ATOM 0 HH21 ARG A 79 8.773 0.708 -16.766 1.00 55.01 H new ATOM 0 HH22 ARG A 79 10.158 -0.356 -17.031 1.00 55.01 H new ATOM 1271 N GLY A 80 7.522 5.584 -10.878 1.00 51.05 N ATOM 1272 CA GLY A 80 7.030 6.945 -10.988 1.00 4.54 C ATOM 1273 C GLY A 80 6.880 7.619 -9.640 1.00 24.42 C ATOM 1274 O GLY A 80 7.445 7.163 -8.646 1.00 12.14 O ATOM 0 H GLY A 80 7.326 5.125 -9.989 1.00 51.05 H new ATOM 0 HA2 GLY A 80 7.714 7.526 -11.607 1.00 4.54 H new ATOM 0 HA3 GLY A 80 6.066 6.939 -11.497 1.00 4.54 H new ATOM 1278 N ILE A 81 6.115 8.703 -9.603 1.00 75.22 N ATOM 1279 CA ILE A 81 5.902 9.447 -8.369 1.00 43.02 C ATOM 1280 C ILE A 81 4.813 8.786 -7.516 1.00 54.43 C ATOM 1281 O ILE A 81 3.610 8.947 -7.741 1.00 32.21 O ATOM 1282 CB ILE A 81 5.572 10.935 -8.652 1.00 34.02 C ATOM 1283 CG1 ILE A 81 5.242 11.679 -7.354 1.00 70.24 C ATOM 1284 CG2 ILE A 81 4.441 11.069 -9.660 1.00 24.10 C ATOM 1285 CD1 ILE A 81 6.409 11.768 -6.393 1.00 23.03 C ATOM 0 H ILE A 81 5.631 9.087 -10.415 1.00 75.22 H new ATOM 0 HA ILE A 81 6.833 9.426 -7.802 1.00 43.02 H new ATOM 0 HB ILE A 81 6.459 11.394 -9.088 1.00 34.02 H new ATOM 0 HG12 ILE A 81 4.905 12.687 -7.598 1.00 70.24 H new ATOM 0 HG13 ILE A 81 4.411 11.177 -6.858 1.00 70.24 H new ATOM 0 HG21 ILE A 81 4.234 12.125 -9.836 1.00 24.10 H new ATOM 0 HG22 ILE A 81 4.731 10.594 -10.597 1.00 24.10 H new ATOM 0 HG23 ILE A 81 3.546 10.584 -9.269 1.00 24.10 H new ATOM 0 HD11 ILE A 81 6.102 12.307 -5.497 1.00 23.03 H new ATOM 0 HD12 ILE A 81 6.732 10.764 -6.119 1.00 23.03 H new ATOM 0 HD13 ILE A 81 7.234 12.297 -6.870 1.00 23.03 H new ATOM 1297 N VAL A 82 5.261 8.010 -6.547 1.00 21.34 N ATOM 1298 CA VAL A 82 4.370 7.256 -5.687 1.00 25.14 C ATOM 1299 C VAL A 82 5.096 6.871 -4.405 1.00 4.34 C ATOM 1300 O VAL A 82 6.325 6.826 -4.382 1.00 50.44 O ATOM 1301 CB VAL A 82 3.826 5.995 -6.423 1.00 23.40 C ATOM 1302 CG1 VAL A 82 4.897 5.382 -7.305 1.00 45.35 C ATOM 1303 CG2 VAL A 82 3.293 4.951 -5.450 1.00 65.24 C ATOM 0 H VAL A 82 6.251 7.885 -6.335 1.00 21.34 H new ATOM 0 HA VAL A 82 3.515 7.881 -5.429 1.00 25.14 H new ATOM 0 HB VAL A 82 2.995 6.325 -7.047 1.00 23.40 H new ATOM 0 HG11 VAL A 82 4.494 4.503 -7.809 1.00 45.35 H new ATOM 0 HG12 VAL A 82 5.217 6.112 -8.049 1.00 45.35 H new ATOM 0 HG13 VAL A 82 5.750 5.090 -6.692 1.00 45.35 H new ATOM 0 HG21 VAL A 82 2.924 4.090 -6.007 1.00 65.24 H new ATOM 0 HG22 VAL A 82 4.093 4.635 -4.781 1.00 65.24 H new ATOM 0 HG23 VAL A 82 2.480 5.380 -4.865 1.00 65.24 H new ATOM 1313 N PHE A 83 4.345 6.656 -3.331 1.00 53.42 N ATOM 1314 CA PHE A 83 4.924 6.201 -2.073 1.00 62.23 C ATOM 1315 C PHE A 83 4.034 5.151 -1.408 1.00 43.01 C ATOM 1316 O PHE A 83 3.012 4.738 -1.961 1.00 54.32 O ATOM 1317 CB PHE A 83 5.157 7.373 -1.120 1.00 42.13 C ATOM 1318 CG PHE A 83 6.246 8.310 -1.561 1.00 31.51 C ATOM 1319 CD1 PHE A 83 7.577 7.990 -1.344 1.00 65.43 C ATOM 1320 CD2 PHE A 83 5.941 9.505 -2.193 1.00 44.23 C ATOM 1321 CE1 PHE A 83 8.584 8.846 -1.749 1.00 64.33 C ATOM 1322 CE2 PHE A 83 6.944 10.364 -2.599 1.00 70.53 C ATOM 1323 CZ PHE A 83 8.266 10.034 -2.377 1.00 52.31 C ATOM 0 H PHE A 83 3.334 6.789 -3.306 1.00 53.42 H new ATOM 0 HA PHE A 83 5.887 5.744 -2.301 1.00 62.23 H new ATOM 0 HB2 PHE A 83 4.228 7.934 -1.016 1.00 42.13 H new ATOM 0 HB3 PHE A 83 5.405 6.982 -0.133 1.00 42.13 H new ATOM 0 HD1 PHE A 83 7.830 7.062 -0.853 1.00 65.43 H new ATOM 0 HD2 PHE A 83 4.908 9.768 -2.370 1.00 44.23 H new ATOM 0 HE1 PHE A 83 9.618 8.586 -1.575 1.00 64.33 H new ATOM 0 HE2 PHE A 83 6.694 11.293 -3.090 1.00 70.53 H new ATOM 0 HZ PHE A 83 9.051 10.705 -2.694 1.00 52.31 H new ATOM 1333 N ALA A 84 4.444 4.703 -0.233 1.00 3.44 N ATOM 1334 CA ALA A 84 3.682 3.719 0.517 1.00 22.15 C ATOM 1335 C ALA A 84 3.996 3.829 1.996 1.00 21.10 C ATOM 1336 O ALA A 84 5.133 4.116 2.373 1.00 32.02 O ATOM 1337 CB ALA A 84 3.984 2.318 0.013 1.00 62.31 C ATOM 0 H ALA A 84 5.304 5.007 0.223 1.00 3.44 H new ATOM 0 HA ALA A 84 2.620 3.916 0.371 1.00 22.15 H new ATOM 0 HB1 ALA A 84 3.405 1.593 0.585 1.00 62.31 H new ATOM 0 HB2 ALA A 84 3.717 2.245 -1.041 1.00 62.31 H new ATOM 0 HB3 ALA A 84 5.047 2.109 0.133 1.00 62.31 H new ATOM 1343 N MET A 85 2.997 3.607 2.831 1.00 3.21 N ATOM 1344 CA MET A 85 3.175 3.731 4.267 1.00 32.22 C ATOM 1345 C MET A 85 2.326 2.728 5.037 1.00 31.41 C ATOM 1346 O MET A 85 1.394 2.130 4.496 1.00 20.34 O ATOM 1347 CB MET A 85 2.844 5.148 4.730 1.00 74.40 C ATOM 1348 CG MET A 85 1.600 5.729 4.088 1.00 53.12 C ATOM 1349 SD MET A 85 0.800 6.959 5.129 1.00 51.05 S ATOM 1350 CE MET A 85 0.082 5.887 6.370 1.00 72.51 C ATOM 0 H MET A 85 2.056 3.341 2.541 1.00 3.21 H new ATOM 0 HA MET A 85 4.223 3.516 4.477 1.00 32.22 H new ATOM 0 HB2 MET A 85 2.715 5.145 5.812 1.00 74.40 H new ATOM 0 HB3 MET A 85 3.691 5.798 4.512 1.00 74.40 H new ATOM 0 HG2 MET A 85 1.866 6.183 3.133 1.00 53.12 H new ATOM 0 HG3 MET A 85 0.896 4.925 3.874 1.00 53.12 H new ATOM 0 HE1 MET A 85 -1.002 5.875 6.257 1.00 72.51 H new ATOM 0 HE2 MET A 85 0.471 4.876 6.247 1.00 72.51 H new ATOM 0 HE3 MET A 85 0.339 6.257 7.363 1.00 72.51 H new ATOM 1360 N ALA A 86 2.669 2.561 6.306 1.00 24.11 N ATOM 1361 CA ALA A 86 1.988 1.636 7.200 1.00 42.21 C ATOM 1362 C ALA A 86 1.894 2.239 8.604 1.00 23.24 C ATOM 1363 O ALA A 86 2.221 3.415 8.786 1.00 21.22 O ATOM 1364 CB ALA A 86 2.748 0.328 7.224 1.00 2.10 C ATOM 0 H ALA A 86 3.435 3.069 6.748 1.00 24.11 H new ATOM 0 HA ALA A 86 0.974 1.452 6.844 1.00 42.21 H new ATOM 0 HB1 ALA A 86 2.246 -0.372 7.891 1.00 2.10 H new ATOM 0 HB2 ALA A 86 2.783 -0.091 6.218 1.00 2.10 H new ATOM 0 HB3 ALA A 86 3.763 0.504 7.580 1.00 2.10 H new ATOM 1370 N ARG A 87 1.464 1.462 9.603 1.00 43.04 N ATOM 1371 CA ARG A 87 1.326 2.019 10.949 1.00 52.41 C ATOM 1372 C ARG A 87 1.568 1.001 12.067 1.00 3.11 C ATOM 1373 O ARG A 87 2.002 1.380 13.157 1.00 72.52 O ATOM 1374 CB ARG A 87 -0.060 2.639 11.144 1.00 33.40 C ATOM 1375 CG ARG A 87 -1.175 1.619 11.318 1.00 54.14 C ATOM 1376 CD ARG A 87 -2.405 2.257 11.939 1.00 62.11 C ATOM 1377 NE ARG A 87 -2.098 2.905 13.215 1.00 22.03 N ATOM 1378 CZ ARG A 87 -2.774 3.939 13.719 1.00 70.14 C ATOM 1379 NH1 ARG A 87 -3.821 4.437 13.073 1.00 72.55 N ATOM 1380 NH2 ARG A 87 -2.394 4.472 14.874 1.00 44.42 N ATOM 0 H ARG A 87 1.213 0.478 9.511 1.00 43.04 H new ATOM 0 HA ARG A 87 2.102 2.780 11.023 1.00 52.41 H new ATOM 0 HB2 ARG A 87 -0.036 3.289 12.019 1.00 33.40 H new ATOM 0 HB3 ARG A 87 -0.289 3.269 10.285 1.00 33.40 H new ATOM 0 HG2 ARG A 87 -1.433 1.189 10.350 1.00 54.14 H new ATOM 0 HG3 ARG A 87 -0.828 0.800 11.948 1.00 54.14 H new ATOM 0 HD2 ARG A 87 -2.820 2.992 11.249 1.00 62.11 H new ATOM 0 HD3 ARG A 87 -3.170 1.496 12.093 1.00 62.11 H new ATOM 0 HE ARG A 87 -1.314 2.541 13.756 1.00 22.03 H new ATOM 0 HH11 ARG A 87 -4.114 4.029 12.185 1.00 72.55 H new ATOM 0 HH12 ARG A 87 -4.333 5.228 13.464 1.00 72.55 H new ATOM 0 HH21 ARG A 87 -1.589 4.091 15.371 1.00 44.42 H new ATOM 0 HH22 ARG A 87 -2.907 5.263 15.264 1.00 44.42 H new ATOM 1394 N VAL A 88 1.287 -0.271 11.828 1.00 45.13 N ATOM 1395 CA VAL A 88 1.290 -1.240 12.919 1.00 11.41 C ATOM 1396 C VAL A 88 2.620 -1.993 12.995 1.00 42.54 C ATOM 1397 O VAL A 88 3.358 -2.080 12.013 1.00 53.42 O ATOM 1398 CB VAL A 88 0.106 -2.234 12.802 1.00 41.42 C ATOM 1399 CG1 VAL A 88 0.311 -3.231 11.678 1.00 4.30 C ATOM 1400 CG2 VAL A 88 -0.133 -2.957 14.115 1.00 51.23 C ATOM 0 H VAL A 88 1.058 -0.653 10.910 1.00 45.13 H new ATOM 0 HA VAL A 88 1.166 -0.678 13.845 1.00 11.41 H new ATOM 0 HB VAL A 88 -0.780 -1.645 12.564 1.00 41.42 H new ATOM 0 HG11 VAL A 88 -0.542 -3.908 11.632 1.00 4.30 H new ATOM 0 HG12 VAL A 88 0.403 -2.698 10.731 1.00 4.30 H new ATOM 0 HG13 VAL A 88 1.220 -3.804 11.861 1.00 4.30 H new ATOM 0 HG21 VAL A 88 -0.969 -3.647 14.003 1.00 51.23 H new ATOM 0 HG22 VAL A 88 0.762 -3.513 14.392 1.00 51.23 H new ATOM 0 HG23 VAL A 88 -0.364 -2.230 14.894 1.00 51.23 H new ATOM 1410 N LYS A 89 2.909 -2.537 14.183 1.00 3.11 N ATOM 1411 CA LYS A 89 4.144 -3.284 14.441 1.00 32.14 C ATOM 1412 C LYS A 89 4.255 -4.529 13.556 1.00 1.13 C ATOM 1413 O LYS A 89 5.286 -5.193 13.538 1.00 4.13 O ATOM 1414 CB LYS A 89 4.220 -3.713 15.913 1.00 74.51 C ATOM 1415 CG LYS A 89 3.124 -4.690 16.325 1.00 70.23 C ATOM 1416 CD LYS A 89 1.947 -3.986 16.981 1.00 25.13 C ATOM 1417 CE LYS A 89 0.721 -4.884 17.053 1.00 71.34 C ATOM 1418 NZ LYS A 89 0.991 -6.164 17.758 1.00 1.24 N ATOM 0 H LYS A 89 2.292 -2.471 14.993 1.00 3.11 H new ATOM 0 HA LYS A 89 4.971 -2.615 14.205 1.00 32.14 H new ATOM 0 HB2 LYS A 89 5.191 -4.171 16.099 1.00 74.51 H new ATOM 0 HB3 LYS A 89 4.160 -2.826 16.544 1.00 74.51 H new ATOM 0 HG2 LYS A 89 2.776 -5.235 15.447 1.00 70.23 H new ATOM 0 HG3 LYS A 89 3.536 -5.426 17.015 1.00 70.23 H new ATOM 0 HD2 LYS A 89 2.226 -3.671 17.986 1.00 25.13 H new ATOM 0 HD3 LYS A 89 1.704 -3.084 16.420 1.00 25.13 H new ATOM 0 HE2 LYS A 89 -0.083 -4.355 17.564 1.00 71.34 H new ATOM 0 HE3 LYS A 89 0.371 -5.097 16.043 1.00 71.34 H new ATOM 0 HZ1 LYS A 89 0.096 -6.670 17.914 1.00 1.24 H new ATOM 0 HZ2 LYS A 89 1.625 -6.752 17.180 1.00 1.24 H new ATOM 0 HZ3 LYS A 89 1.442 -5.967 18.674 1.00 1.24 H new ATOM 1432 N GLN A 90 3.190 -4.840 12.842 1.00 75.55 N ATOM 1433 CA GLN A 90 3.177 -5.990 11.955 1.00 52.52 C ATOM 1434 C GLN A 90 3.666 -5.607 10.569 1.00 55.15 C ATOM 1435 O GLN A 90 4.506 -6.294 9.990 1.00 43.34 O ATOM 1436 CB GLN A 90 1.764 -6.545 11.848 1.00 50.41 C ATOM 1437 CG GLN A 90 1.186 -7.013 13.167 1.00 23.54 C ATOM 1438 CD GLN A 90 -0.278 -7.362 13.049 1.00 32.45 C ATOM 1439 OE1 GLN A 90 -1.034 -7.271 14.015 1.00 31.40 O ATOM 1440 NE2 GLN A 90 -0.691 -7.742 11.851 1.00 2.31 N ATOM 0 H GLN A 90 2.318 -4.310 12.859 1.00 75.55 H new ATOM 0 HA GLN A 90 3.843 -6.747 12.370 1.00 52.52 H new ATOM 0 HB2 GLN A 90 1.113 -5.777 11.430 1.00 50.41 H new ATOM 0 HB3 GLN A 90 1.764 -7.379 11.146 1.00 50.41 H new ATOM 0 HG2 GLN A 90 1.740 -7.884 13.517 1.00 23.54 H new ATOM 0 HG3 GLN A 90 1.314 -6.232 13.917 1.00 23.54 H new ATOM 0 HE21 GLN A 90 -0.028 -7.803 11.079 1.00 2.31 H new ATOM 0 HE22 GLN A 90 -1.673 -7.974 11.700 1.00 2.31 H new ATOM 1449 N ASP A 91 3.144 -4.489 10.067 1.00 45.34 N ATOM 1450 CA ASP A 91 3.377 -4.047 8.693 1.00 44.12 C ATOM 1451 C ASP A 91 4.849 -4.123 8.320 1.00 60.12 C ATOM 1452 O ASP A 91 5.225 -4.817 7.375 1.00 20.21 O ATOM 1453 CB ASP A 91 2.910 -2.605 8.495 1.00 12.41 C ATOM 1454 CG ASP A 91 1.426 -2.389 8.728 1.00 11.01 C ATOM 1455 OD1 ASP A 91 0.618 -3.210 8.255 1.00 71.21 O ATOM 1456 OD2 ASP A 91 1.069 -1.371 9.373 1.00 61.51 O ATOM 0 H ASP A 91 2.545 -3.862 10.604 1.00 45.34 H new ATOM 0 HA ASP A 91 2.806 -4.718 8.052 1.00 44.12 H new ATOM 0 HB2 ASP A 91 3.469 -1.959 9.171 1.00 12.41 H new ATOM 0 HB3 ASP A 91 3.155 -2.293 7.480 1.00 12.41 H new ATOM 1461 N LEU A 92 5.674 -3.406 9.073 1.00 4.21 N ATOM 1462 CA LEU A 92 7.096 -3.316 8.777 1.00 44.51 C ATOM 1463 C LEU A 92 7.768 -4.686 8.810 1.00 45.23 C ATOM 1464 O LEU A 92 8.506 -5.024 7.898 1.00 45.51 O ATOM 1465 CB LEU A 92 7.813 -2.346 9.731 1.00 13.01 C ATOM 1466 CG LEU A 92 7.966 -2.797 11.193 1.00 35.21 C ATOM 1467 CD1 LEU A 92 8.903 -1.864 11.939 1.00 13.24 C ATOM 1468 CD2 LEU A 92 6.619 -2.849 11.895 1.00 11.23 C ATOM 0 H LEU A 92 5.381 -2.878 9.895 1.00 4.21 H new ATOM 0 HA LEU A 92 7.181 -2.922 7.764 1.00 44.51 H new ATOM 0 HB2 LEU A 92 8.807 -2.149 9.331 1.00 13.01 H new ATOM 0 HB3 LEU A 92 7.272 -1.400 9.722 1.00 13.01 H new ATOM 0 HG LEU A 92 8.390 -3.801 11.190 1.00 35.21 H new ATOM 0 HD11 LEU A 92 9.001 -2.197 12.972 1.00 13.24 H new ATOM 0 HD12 LEU A 92 9.882 -1.873 11.461 1.00 13.24 H new ATOM 0 HD13 LEU A 92 8.499 -0.852 11.920 1.00 13.24 H new ATOM 0 HD21 LEU A 92 6.759 -3.171 12.927 1.00 11.23 H new ATOM 0 HD22 LEU A 92 6.164 -1.859 11.882 1.00 11.23 H new ATOM 0 HD23 LEU A 92 5.967 -3.555 11.380 1.00 11.23 H new ATOM 1480 N ARG A 93 7.488 -5.480 9.839 1.00 4.05 N ATOM 1481 CA ARG A 93 8.134 -6.783 9.989 1.00 32.30 C ATOM 1482 C ARG A 93 7.905 -7.637 8.753 1.00 4.15 C ATOM 1483 O ARG A 93 8.851 -8.090 8.106 1.00 2.12 O ATOM 1484 CB ARG A 93 7.594 -7.527 11.212 1.00 23.24 C ATOM 1485 CG ARG A 93 7.794 -6.802 12.530 1.00 65.33 C ATOM 1486 CD ARG A 93 7.259 -7.626 13.696 1.00 5.53 C ATOM 1487 NE ARG A 93 8.120 -8.771 14.013 1.00 12.34 N ATOM 1488 CZ ARG A 93 7.902 -10.022 13.600 1.00 34.24 C ATOM 1489 NH1 ARG A 93 6.868 -10.298 12.816 1.00 73.41 N ATOM 1490 NH2 ARG A 93 8.726 -10.997 13.970 1.00 13.51 N ATOM 0 H ARG A 93 6.823 -5.248 10.577 1.00 4.05 H new ATOM 0 HA ARG A 93 9.201 -6.606 10.121 1.00 32.30 H new ATOM 0 HB2 ARG A 93 6.529 -7.708 11.070 1.00 23.24 H new ATOM 0 HB3 ARG A 93 8.078 -8.502 11.271 1.00 23.24 H new ATOM 0 HG2 ARG A 93 8.854 -6.600 12.680 1.00 65.33 H new ATOM 0 HG3 ARG A 93 7.287 -5.838 12.499 1.00 65.33 H new ATOM 0 HD2 ARG A 93 7.168 -6.989 14.576 1.00 5.53 H new ATOM 0 HD3 ARG A 93 6.258 -7.983 13.456 1.00 5.53 H new ATOM 0 HE ARG A 93 8.944 -8.599 14.590 1.00 12.34 H new ATOM 0 HH11 ARG A 93 6.235 -9.553 12.526 1.00 73.41 H new ATOM 0 HH12 ARG A 93 6.706 -11.255 12.503 1.00 73.41 H new ATOM 0 HH21 ARG A 93 9.525 -10.790 14.569 1.00 13.51 H new ATOM 0 HH22 ARG A 93 8.560 -11.953 13.655 1.00 13.51 H new ATOM 1504 N GLU A 94 6.641 -7.819 8.413 1.00 42.02 N ATOM 1505 CA GLU A 94 6.260 -8.707 7.331 1.00 24.44 C ATOM 1506 C GLU A 94 6.730 -8.164 5.978 1.00 61.13 C ATOM 1507 O GLU A 94 7.404 -8.863 5.221 1.00 75.44 O ATOM 1508 CB GLU A 94 4.743 -8.886 7.307 1.00 44.53 C ATOM 1509 CG GLU A 94 4.091 -9.045 8.672 1.00 43.52 C ATOM 1510 CD GLU A 94 4.570 -10.262 9.429 1.00 64.42 C ATOM 1511 OE1 GLU A 94 4.115 -11.378 9.116 1.00 21.32 O ATOM 1512 OE2 GLU A 94 5.383 -10.106 10.362 1.00 23.11 O ATOM 0 H GLU A 94 5.856 -7.359 8.875 1.00 42.02 H new ATOM 0 HA GLU A 94 6.740 -9.670 7.505 1.00 24.44 H new ATOM 0 HB2 GLU A 94 4.299 -8.025 6.807 1.00 44.53 H new ATOM 0 HB3 GLU A 94 4.505 -9.762 6.704 1.00 44.53 H new ATOM 0 HG2 GLU A 94 4.291 -8.154 9.268 1.00 43.52 H new ATOM 0 HG3 GLU A 94 3.010 -9.108 8.545 1.00 43.52 H new ATOM 1519 N SER A 95 6.374 -6.911 5.682 1.00 22.45 N ATOM 1520 CA SER A 95 6.665 -6.305 4.378 1.00 44.20 C ATOM 1521 C SER A 95 8.167 -6.260 4.114 1.00 23.12 C ATOM 1522 O SER A 95 8.628 -6.465 2.988 1.00 1.02 O ATOM 1523 CB SER A 95 6.098 -4.884 4.315 1.00 34.41 C ATOM 1524 OG SER A 95 4.737 -4.857 4.701 1.00 14.10 O ATOM 0 H SER A 95 5.883 -6.294 6.329 1.00 22.45 H new ATOM 0 HA SER A 95 6.194 -6.922 3.613 1.00 44.20 H new ATOM 0 HB2 SER A 95 6.676 -4.230 4.967 1.00 34.41 H new ATOM 0 HB3 SER A 95 6.199 -4.494 3.302 1.00 34.41 H new ATOM 0 HG SER A 95 4.672 -4.921 5.677 1.00 14.10 H new ATOM 1530 N LEU A 96 8.926 -5.997 5.162 1.00 13.11 N ATOM 1531 CA LEU A 96 10.367 -5.881 5.052 1.00 64.02 C ATOM 1532 C LEU A 96 11.016 -7.238 4.822 1.00 14.30 C ATOM 1533 O LEU A 96 12.014 -7.338 4.112 1.00 72.34 O ATOM 1534 CB LEU A 96 10.935 -5.220 6.303 1.00 61.55 C ATOM 1535 CG LEU A 96 11.125 -3.698 6.216 1.00 72.42 C ATOM 1536 CD1 LEU A 96 12.066 -3.349 5.079 1.00 51.22 C ATOM 1537 CD2 LEU A 96 9.790 -2.983 6.036 1.00 34.43 C ATOM 0 H LEU A 96 8.564 -5.859 6.106 1.00 13.11 H new ATOM 0 HA LEU A 96 10.593 -5.257 4.188 1.00 64.02 H new ATOM 0 HB2 LEU A 96 10.274 -5.439 7.141 1.00 61.55 H new ATOM 0 HB3 LEU A 96 11.898 -5.677 6.529 1.00 61.55 H new ATOM 0 HG LEU A 96 11.563 -3.360 7.155 1.00 72.42 H new ATOM 0 HD11 LEU A 96 12.191 -2.267 5.029 1.00 51.22 H new ATOM 0 HD12 LEU A 96 13.034 -3.819 5.251 1.00 51.22 H new ATOM 0 HD13 LEU A 96 11.650 -3.710 4.138 1.00 51.22 H new ATOM 0 HD21 LEU A 96 9.958 -1.908 5.978 1.00 34.43 H new ATOM 0 HD22 LEU A 96 9.314 -3.326 5.117 1.00 34.43 H new ATOM 0 HD23 LEU A 96 9.142 -3.204 6.884 1.00 34.43 H new ATOM 1549 N ARG A 97 10.444 -8.282 5.412 1.00 0.54 N ATOM 1550 CA ARG A 97 10.938 -9.639 5.194 1.00 52.53 C ATOM 1551 C ARG A 97 10.559 -10.142 3.806 1.00 73.53 C ATOM 1552 O ARG A 97 11.217 -11.020 3.251 1.00 1.11 O ATOM 1553 CB ARG A 97 10.400 -10.589 6.265 1.00 72.31 C ATOM 1554 CG ARG A 97 11.009 -10.356 7.636 1.00 62.55 C ATOM 1555 CD ARG A 97 12.508 -10.595 7.609 1.00 10.52 C ATOM 1556 NE ARG A 97 13.153 -10.175 8.848 1.00 53.05 N ATOM 1557 CZ ARG A 97 14.471 -10.045 8.987 1.00 34.14 C ATOM 1558 NH1 ARG A 97 15.286 -10.341 7.981 1.00 55.45 N ATOM 1559 NH2 ARG A 97 14.975 -9.624 10.138 1.00 63.12 N ATOM 0 H ARG A 97 9.643 -8.217 6.041 1.00 0.54 H new ATOM 0 HA ARG A 97 12.025 -9.613 5.265 1.00 52.53 H new ATOM 0 HB2 ARG A 97 9.318 -10.475 6.332 1.00 72.31 H new ATOM 0 HB3 ARG A 97 10.594 -11.617 5.959 1.00 72.31 H new ATOM 0 HG2 ARG A 97 10.805 -9.336 7.961 1.00 62.55 H new ATOM 0 HG3 ARG A 97 10.543 -11.021 8.363 1.00 62.55 H new ATOM 0 HD2 ARG A 97 12.703 -11.654 7.440 1.00 10.52 H new ATOM 0 HD3 ARG A 97 12.946 -10.053 6.771 1.00 10.52 H new ATOM 0 HE ARG A 97 12.561 -9.969 9.653 1.00 53.05 H new ATOM 0 HH11 ARG A 97 14.903 -10.670 7.095 1.00 55.45 H new ATOM 0 HH12 ARG A 97 16.294 -10.239 8.095 1.00 55.45 H new ATOM 0 HH21 ARG A 97 14.354 -9.400 10.915 1.00 63.12 H new ATOM 0 HH22 ARG A 97 15.984 -9.524 10.247 1.00 63.12 H new ATOM 1573 N ALA A 98 9.492 -9.578 3.254 1.00 75.15 N ATOM 1574 CA ALA A 98 9.044 -9.939 1.919 1.00 3.45 C ATOM 1575 C ALA A 98 9.924 -9.292 0.854 1.00 30.00 C ATOM 1576 O ALA A 98 10.581 -9.982 0.074 1.00 44.22 O ATOM 1577 CB ALA A 98 7.589 -9.538 1.728 1.00 22.35 C ATOM 0 H ALA A 98 8.921 -8.868 3.713 1.00 75.15 H new ATOM 0 HA ALA A 98 9.126 -11.020 1.810 1.00 3.45 H new ATOM 0 HB1 ALA A 98 7.264 -9.813 0.725 1.00 22.35 H new ATOM 0 HB2 ALA A 98 6.970 -10.052 2.463 1.00 22.35 H new ATOM 0 HB3 ALA A 98 7.488 -8.461 1.859 1.00 22.35 H new ATOM 1583 N ALA A 99 9.951 -7.962 0.834 1.00 32.03 N ATOM 1584 CA ALA A 99 10.704 -7.233 -0.179 1.00 64.01 C ATOM 1585 C ALA A 99 12.203 -7.252 0.120 1.00 61.31 C ATOM 1586 O ALA A 99 12.986 -7.804 -0.651 1.00 33.13 O ATOM 1587 CB ALA A 99 10.199 -5.801 -0.291 1.00 33.53 C ATOM 0 H ALA A 99 9.462 -7.370 1.505 1.00 32.03 H new ATOM 0 HA ALA A 99 10.549 -7.734 -1.135 1.00 64.01 H new ATOM 0 HB1 ALA A 99 10.772 -5.271 -1.052 1.00 33.53 H new ATOM 0 HB2 ALA A 99 9.145 -5.808 -0.570 1.00 33.53 H new ATOM 0 HB3 ALA A 99 10.317 -5.297 0.668 1.00 33.53 H new ATOM 1593 N SER A 100 12.588 -6.612 1.229 1.00 63.15 N ATOM 1594 CA SER A 100 13.983 -6.573 1.700 1.00 4.43 C ATOM 1595 C SER A 100 14.907 -5.729 0.803 1.00 75.43 C ATOM 1596 O SER A 100 15.941 -5.241 1.262 1.00 42.30 O ATOM 1597 CB SER A 100 14.550 -7.991 1.833 1.00 12.02 C ATOM 1598 OG SER A 100 13.736 -8.795 2.673 1.00 42.44 O ATOM 0 H SER A 100 11.940 -6.103 1.830 1.00 63.15 H new ATOM 0 HA SER A 100 13.956 -6.090 2.677 1.00 4.43 H new ATOM 0 HB2 SER A 100 14.623 -8.450 0.847 1.00 12.02 H new ATOM 0 HB3 SER A 100 15.561 -7.944 2.239 1.00 12.02 H new ATOM 0 HG SER A 100 13.364 -8.244 3.393 1.00 42.44 H new ATOM 1604 N LEU A 101 14.531 -5.533 -0.458 1.00 40.34 N ATOM 1605 CA LEU A 101 15.408 -4.890 -1.441 1.00 50.50 C ATOM 1606 C LEU A 101 15.443 -3.362 -1.292 1.00 61.33 C ATOM 1607 O LEU A 101 15.556 -2.634 -2.284 1.00 11.34 O ATOM 1608 CB LEU A 101 14.991 -5.276 -2.874 1.00 51.44 C ATOM 1609 CG LEU A 101 13.732 -4.600 -3.440 1.00 43.13 C ATOM 1610 CD1 LEU A 101 13.653 -4.815 -4.941 1.00 64.31 C ATOM 1611 CD2 LEU A 101 12.470 -5.130 -2.784 1.00 72.41 C ATOM 0 H LEU A 101 13.622 -5.810 -0.827 1.00 40.34 H new ATOM 0 HA LEU A 101 16.417 -5.255 -1.248 1.00 50.50 H new ATOM 0 HB2 LEU A 101 15.824 -5.053 -3.541 1.00 51.44 H new ATOM 0 HB3 LEU A 101 14.839 -6.355 -2.904 1.00 51.44 H new ATOM 0 HG LEU A 101 13.806 -3.534 -3.225 1.00 43.13 H new ATOM 0 HD11 LEU A 101 12.757 -4.332 -5.331 1.00 64.31 H new ATOM 0 HD12 LEU A 101 14.534 -4.385 -5.417 1.00 64.31 H new ATOM 0 HD13 LEU A 101 13.611 -5.883 -5.154 1.00 64.31 H new ATOM 0 HD21 LEU A 101 11.601 -4.629 -3.210 1.00 72.41 H new ATOM 0 HD22 LEU A 101 12.392 -6.203 -2.959 1.00 72.41 H new ATOM 0 HD23 LEU A 101 12.510 -4.939 -1.712 1.00 72.41 H new ATOM 1623 N LEU A 102 15.411 -2.882 -0.051 1.00 50.33 N ATOM 1624 CA LEU A 102 15.453 -1.442 0.219 1.00 70.10 C ATOM 1625 C LEU A 102 16.709 -0.808 -0.356 1.00 33.31 C ATOM 1626 O LEU A 102 16.729 0.381 -0.655 1.00 1.31 O ATOM 1627 CB LEU A 102 15.379 -1.151 1.718 1.00 34.55 C ATOM 1628 CG LEU A 102 14.006 -1.335 2.359 1.00 52.34 C ATOM 1629 CD1 LEU A 102 14.041 -0.886 3.810 1.00 32.03 C ATOM 1630 CD2 LEU A 102 12.948 -0.559 1.586 1.00 2.20 C ATOM 0 H LEU A 102 15.356 -3.466 0.784 1.00 50.33 H new ATOM 0 HA LEU A 102 14.581 -1.005 -0.268 1.00 70.10 H new ATOM 0 HB2 LEU A 102 16.089 -1.799 2.231 1.00 34.55 H new ATOM 0 HB3 LEU A 102 15.704 -0.125 1.887 1.00 34.55 H new ATOM 0 HG LEU A 102 13.746 -2.393 2.328 1.00 52.34 H new ATOM 0 HD11 LEU A 102 13.056 -1.022 4.257 1.00 32.03 H new ATOM 0 HD12 LEU A 102 14.773 -1.480 4.357 1.00 32.03 H new ATOM 0 HD13 LEU A 102 14.319 0.167 3.858 1.00 32.03 H new ATOM 0 HD21 LEU A 102 11.975 -0.702 2.057 1.00 2.20 H new ATOM 0 HD22 LEU A 102 13.200 0.501 1.588 1.00 2.20 H new ATOM 0 HD23 LEU A 102 12.910 -0.921 0.558 1.00 2.20 H new ATOM 1642 N ASP A 103 17.744 -1.620 -0.521 1.00 50.42 N ATOM 1643 CA ASP A 103 19.004 -1.168 -1.100 1.00 24.15 C ATOM 1644 C ASP A 103 18.794 -0.502 -2.456 1.00 51.51 C ATOM 1645 O ASP A 103 19.424 0.507 -2.765 1.00 22.43 O ATOM 1646 CB ASP A 103 19.964 -2.349 -1.254 1.00 72.43 C ATOM 1647 CG ASP A 103 21.200 -1.995 -2.060 1.00 23.33 C ATOM 1648 OD1 ASP A 103 22.162 -1.454 -1.479 1.00 73.44 O ATOM 1649 OD2 ASP A 103 21.221 -2.273 -3.279 1.00 41.45 O ATOM 0 H ASP A 103 17.736 -2.606 -0.259 1.00 50.42 H new ATOM 0 HA ASP A 103 19.432 -0.430 -0.422 1.00 24.15 H new ATOM 0 HB2 ASP A 103 20.266 -2.698 -0.267 1.00 72.43 H new ATOM 0 HB3 ASP A 103 19.443 -3.175 -1.738 1.00 72.43 H new ATOM 1654 N LYS A 104 17.890 -1.051 -3.256 1.00 25.12 N ATOM 1655 CA LYS A 104 17.709 -0.575 -4.621 1.00 34.41 C ATOM 1656 C LYS A 104 16.387 0.165 -4.808 1.00 22.33 C ATOM 1657 O LYS A 104 16.172 0.793 -5.843 1.00 0.25 O ATOM 1658 CB LYS A 104 17.815 -1.745 -5.604 1.00 64.54 C ATOM 1659 CG LYS A 104 16.795 -2.844 -5.371 1.00 44.23 C ATOM 1660 CD LYS A 104 17.440 -4.218 -5.456 1.00 35.12 C ATOM 1661 CE LYS A 104 18.372 -4.455 -4.278 1.00 5.20 C ATOM 1662 NZ LYS A 104 19.078 -5.756 -4.375 1.00 4.34 N ATOM 0 H LYS A 104 17.276 -1.819 -2.987 1.00 25.12 H new ATOM 0 HA LYS A 104 18.505 0.142 -4.825 1.00 34.41 H new ATOM 0 HB2 LYS A 104 17.698 -1.365 -6.619 1.00 64.54 H new ATOM 0 HB3 LYS A 104 18.815 -2.172 -5.537 1.00 64.54 H new ATOM 0 HG2 LYS A 104 16.335 -2.715 -4.391 1.00 44.23 H new ATOM 0 HG3 LYS A 104 15.998 -2.767 -6.110 1.00 44.23 H new ATOM 0 HD2 LYS A 104 16.667 -4.986 -5.473 1.00 35.12 H new ATOM 0 HD3 LYS A 104 17.997 -4.305 -6.389 1.00 35.12 H new ATOM 0 HE2 LYS A 104 19.104 -3.649 -4.228 1.00 5.20 H new ATOM 0 HE3 LYS A 104 17.799 -4.423 -3.351 1.00 5.20 H new ATOM 0 HZ1 LYS A 104 19.702 -5.875 -3.551 1.00 4.34 H new ATOM 0 HZ2 LYS A 104 18.382 -6.528 -4.396 1.00 4.34 H new ATOM 0 HZ3 LYS A 104 19.646 -5.779 -5.246 1.00 4.34 H new ATOM 1676 N ILE A 105 15.492 0.090 -3.828 1.00 25.10 N ATOM 1677 CA ILE A 105 14.253 0.864 -3.897 1.00 40.22 C ATOM 1678 C ILE A 105 14.357 2.145 -3.066 1.00 24.05 C ATOM 1679 O ILE A 105 14.169 3.241 -3.589 1.00 25.52 O ATOM 1680 CB ILE A 105 13.008 0.038 -3.487 1.00 3.32 C ATOM 1681 CG1 ILE A 105 13.196 -0.624 -2.122 1.00 73.51 C ATOM 1682 CG2 ILE A 105 12.706 -1.009 -4.553 1.00 63.44 C ATOM 1683 CD1 ILE A 105 12.016 -1.464 -1.681 1.00 23.21 C ATOM 0 H ILE A 105 15.595 -0.485 -2.992 1.00 25.10 H new ATOM 0 HA ILE A 105 14.117 1.140 -4.943 1.00 40.22 H new ATOM 0 HB ILE A 105 12.162 0.720 -3.405 1.00 3.32 H new ATOM 0 HG12 ILE A 105 14.086 -1.253 -2.153 1.00 73.51 H new ATOM 0 HG13 ILE A 105 13.378 0.149 -1.376 1.00 73.51 H new ATOM 0 HG21 ILE A 105 11.830 -1.586 -4.258 1.00 63.44 H new ATOM 0 HG22 ILE A 105 12.511 -0.514 -5.504 1.00 63.44 H new ATOM 0 HG23 ILE A 105 13.561 -1.677 -4.660 1.00 63.44 H new ATOM 0 HD11 ILE A 105 12.225 -1.900 -0.704 1.00 23.21 H new ATOM 0 HD12 ILE A 105 11.127 -0.837 -1.616 1.00 23.21 H new ATOM 0 HD13 ILE A 105 11.846 -2.261 -2.405 1.00 23.21 H new ATOM 1695 N GLY A 106 14.695 2.013 -1.791 1.00 24.24 N ATOM 1696 CA GLY A 106 14.828 3.180 -0.938 1.00 20.11 C ATOM 1697 C GLY A 106 13.596 3.442 -0.089 1.00 40.40 C ATOM 1698 O GLY A 106 13.162 2.580 0.673 1.00 75.01 O ATOM 0 H GLY A 106 14.879 1.121 -1.331 1.00 24.24 H new ATOM 0 HA2 GLY A 106 15.691 3.049 -0.285 1.00 20.11 H new ATOM 0 HA3 GLY A 106 15.028 4.054 -1.557 1.00 20.11 H new ATOM 1702 N GLU A 107 13.013 4.623 -0.259 1.00 73.24 N ATOM 1703 CA GLU A 107 11.902 5.081 0.574 1.00 4.21 C ATOM 1704 C GLU A 107 10.570 4.627 -0.016 1.00 15.12 C ATOM 1705 O GLU A 107 9.549 5.298 0.135 1.00 1.43 O ATOM 1706 CB GLU A 107 11.923 6.611 0.663 1.00 35.52 C ATOM 1707 CG GLU A 107 13.277 7.191 1.045 1.00 75.01 C ATOM 1708 CD GLU A 107 13.671 6.903 2.478 1.00 14.43 C ATOM 1709 OE1 GLU A 107 13.254 7.669 3.375 1.00 53.13 O ATOM 1710 OE2 GLU A 107 14.429 5.939 2.715 1.00 42.14 O ATOM 0 H GLU A 107 13.295 5.291 -0.977 1.00 73.24 H new ATOM 0 HA GLU A 107 12.012 4.652 1.570 1.00 4.21 H new ATOM 0 HB2 GLU A 107 11.621 7.025 -0.299 1.00 35.52 H new ATOM 0 HB3 GLU A 107 11.182 6.932 1.395 1.00 35.52 H new ATOM 0 HG2 GLU A 107 14.039 6.787 0.378 1.00 75.01 H new ATOM 0 HG3 GLU A 107 13.259 8.270 0.891 1.00 75.01 H new ATOM 1717 N ASP A 108 10.588 3.470 -0.660 1.00 44.22 N ATOM 1718 CA ASP A 108 9.438 2.985 -1.421 1.00 44.53 C ATOM 1719 C ASP A 108 8.343 2.421 -0.517 1.00 43.43 C ATOM 1720 O ASP A 108 7.305 1.973 -0.998 1.00 34.13 O ATOM 1721 CB ASP A 108 9.883 1.935 -2.444 1.00 14.34 C ATOM 1722 CG ASP A 108 10.680 2.535 -3.593 1.00 25.43 C ATOM 1723 OD1 ASP A 108 11.266 3.627 -3.418 1.00 13.51 O ATOM 1724 OD2 ASP A 108 10.737 1.913 -4.673 1.00 1.41 O ATOM 0 H ASP A 108 11.392 2.842 -0.673 1.00 44.22 H new ATOM 0 HA ASP A 108 9.012 3.840 -1.947 1.00 44.53 H new ATOM 0 HB2 ASP A 108 10.488 1.179 -1.943 1.00 14.34 H new ATOM 0 HB3 ASP A 108 9.005 1.427 -2.843 1.00 14.34 H new ATOM 1729 N HIS A 109 8.578 2.429 0.792 1.00 3.22 N ATOM 1730 CA HIS A 109 7.550 2.050 1.760 1.00 74.12 C ATOM 1731 C HIS A 109 8.032 2.262 3.193 1.00 70.20 C ATOM 1732 O HIS A 109 8.993 1.637 3.639 1.00 64.23 O ATOM 1733 CB HIS A 109 7.059 0.603 1.559 1.00 74.54 C ATOM 1734 CG HIS A 109 8.122 -0.454 1.529 1.00 25.24 C ATOM 1735 ND1 HIS A 109 8.522 -1.154 2.643 1.00 15.53 N ATOM 1736 CD2 HIS A 109 8.820 -0.970 0.494 1.00 21.25 C ATOM 1737 CE1 HIS A 109 9.415 -2.060 2.291 1.00 20.33 C ATOM 1738 NE2 HIS A 109 9.613 -1.976 0.987 1.00 62.01 N ATOM 0 H HIS A 109 9.471 2.694 1.208 1.00 3.22 H new ATOM 0 HA HIS A 109 6.699 2.707 1.582 1.00 74.12 H new ATOM 0 HB2 HIS A 109 6.359 0.364 2.359 1.00 74.54 H new ATOM 0 HB3 HIS A 109 6.502 0.556 0.623 1.00 74.54 H new ATOM 0 HD2 HIS A 109 8.764 -0.649 -0.536 1.00 21.25 H new ATOM 0 HE1 HIS A 109 9.903 -2.755 2.958 1.00 20.33 H new ATOM 0 HE2 HIS A 109 10.247 -2.559 0.440 1.00 62.01 H new ATOM 1747 N ILE A 110 7.350 3.160 3.895 1.00 62.14 N ATOM 1748 CA ILE A 110 7.690 3.510 5.272 1.00 24.53 C ATOM 1749 C ILE A 110 6.420 3.552 6.135 1.00 61.51 C ATOM 1750 O ILE A 110 5.480 2.801 5.883 1.00 33.43 O ATOM 1751 CB ILE A 110 8.440 4.871 5.367 1.00 10.23 C ATOM 1752 CG1 ILE A 110 7.578 6.037 4.848 1.00 73.31 C ATOM 1753 CG2 ILE A 110 9.763 4.808 4.615 1.00 71.52 C ATOM 1754 CD1 ILE A 110 7.481 6.142 3.338 1.00 42.10 C ATOM 0 H ILE A 110 6.545 3.667 3.527 1.00 62.14 H new ATOM 0 HA ILE A 110 8.364 2.738 5.645 1.00 24.53 H new ATOM 0 HB ILE A 110 8.644 5.058 6.421 1.00 10.23 H new ATOM 0 HG12 ILE A 110 6.572 5.934 5.255 1.00 73.31 H new ATOM 0 HG13 ILE A 110 7.985 6.971 5.236 1.00 73.31 H new ATOM 0 HG21 ILE A 110 10.272 5.769 4.693 1.00 71.52 H new ATOM 0 HG22 ILE A 110 10.390 4.029 5.047 1.00 71.52 H new ATOM 0 HG23 ILE A 110 9.575 4.582 3.566 1.00 71.52 H new ATOM 0 HD11 ILE A 110 6.854 6.993 3.072 1.00 42.10 H new ATOM 0 HD12 ILE A 110 8.477 6.281 2.918 1.00 42.10 H new ATOM 0 HD13 ILE A 110 7.042 5.228 2.937 1.00 42.10 H new ATOM 1766 N PHE A 111 6.390 4.412 7.150 1.00 53.35 N ATOM 1767 CA PHE A 111 5.243 4.491 8.050 1.00 70.22 C ATOM 1768 C PHE A 111 4.421 5.757 7.821 1.00 74.32 C ATOM 1769 O PHE A 111 4.661 6.498 6.871 1.00 13.14 O ATOM 1770 CB PHE A 111 5.704 4.428 9.505 1.00 22.34 C ATOM 1771 CG PHE A 111 5.699 3.041 10.069 1.00 44.01 C ATOM 1772 CD1 PHE A 111 6.250 1.988 9.358 1.00 43.54 C ATOM 1773 CD2 PHE A 111 5.133 2.789 11.306 1.00 72.42 C ATOM 1774 CE1 PHE A 111 6.235 0.709 9.872 1.00 61.24 C ATOM 1775 CE2 PHE A 111 5.115 1.509 11.825 1.00 52.11 C ATOM 1776 CZ PHE A 111 5.668 0.469 11.108 1.00 53.01 C ATOM 0 H PHE A 111 7.145 5.062 7.369 1.00 53.35 H new ATOM 0 HA PHE A 111 4.603 3.636 7.833 1.00 70.22 H new ATOM 0 HB2 PHE A 111 6.711 4.839 9.578 1.00 22.34 H new ATOM 0 HB3 PHE A 111 5.057 5.062 10.112 1.00 22.34 H new ATOM 0 HD1 PHE A 111 6.696 2.171 8.391 1.00 43.54 H new ATOM 0 HD2 PHE A 111 4.701 3.601 11.872 1.00 72.42 H new ATOM 0 HE1 PHE A 111 6.666 -0.105 9.308 1.00 61.24 H new ATOM 0 HE2 PHE A 111 4.669 1.323 12.791 1.00 52.11 H new ATOM 0 HZ PHE A 111 5.658 -0.532 11.513 1.00 53.01 H new ATOM 1786 N MET A 112 3.437 5.954 8.702 1.00 12.14 N ATOM 1787 CA MET A 112 2.540 7.119 8.701 1.00 65.12 C ATOM 1788 C MET A 112 3.266 8.418 8.351 1.00 3.14 C ATOM 1789 O MET A 112 4.066 8.923 9.138 1.00 65.20 O ATOM 1790 CB MET A 112 1.903 7.243 10.094 1.00 41.33 C ATOM 1791 CG MET A 112 1.038 8.481 10.319 1.00 72.31 C ATOM 1792 SD MET A 112 -0.613 8.350 9.598 1.00 11.15 S ATOM 1793 CE MET A 112 -0.314 8.904 7.925 1.00 61.51 C ATOM 0 H MET A 112 3.235 5.295 9.454 1.00 12.14 H new ATOM 0 HA MET A 112 1.782 6.963 7.934 1.00 65.12 H new ATOM 0 HB2 MET A 112 1.292 6.358 10.274 1.00 41.33 H new ATOM 0 HB3 MET A 112 2.699 7.238 10.839 1.00 41.33 H new ATOM 0 HG2 MET A 112 0.944 8.659 11.390 1.00 72.31 H new ATOM 0 HG3 MET A 112 1.543 9.349 9.895 1.00 72.31 H new ATOM 0 HE1 MET A 112 -1.160 8.631 7.295 1.00 61.51 H new ATOM 0 HE2 MET A 112 -0.190 9.987 7.917 1.00 61.51 H new ATOM 0 HE3 MET A 112 0.591 8.432 7.542 1.00 61.51 H new ATOM 1803 N THR A 113 2.984 8.950 7.162 1.00 32.51 N ATOM 1804 CA THR A 113 3.552 10.225 6.749 1.00 71.02 C ATOM 1805 C THR A 113 2.925 10.737 5.448 1.00 72.22 C ATOM 1806 O THR A 113 2.725 11.936 5.298 1.00 5.20 O ATOM 1807 CB THR A 113 5.095 10.143 6.594 1.00 31.43 C ATOM 1808 OG1 THR A 113 5.639 11.445 6.350 1.00 50.41 O ATOM 1809 CG2 THR A 113 5.498 9.210 5.460 1.00 4.41 C ATOM 0 H THR A 113 2.368 8.517 6.473 1.00 32.51 H new ATOM 0 HA THR A 113 3.320 10.935 7.543 1.00 71.02 H new ATOM 0 HB THR A 113 5.494 9.744 7.526 1.00 31.43 H new ATOM 0 HG1 THR A 113 6.612 11.380 6.256 1.00 50.41 H new ATOM 0 HG21 THR A 113 6.585 9.179 5.383 1.00 4.41 H new ATOM 0 HG22 THR A 113 5.120 8.208 5.662 1.00 4.41 H new ATOM 0 HG23 THR A 113 5.078 9.574 4.522 1.00 4.41 H new ATOM 1817 N LEU A 114 2.569 9.822 4.541 1.00 31.40 N ATOM 1818 CA LEU A 114 2.145 10.178 3.174 1.00 52.45 C ATOM 1819 C LEU A 114 1.164 11.362 3.101 1.00 1.00 C ATOM 1820 O LEU A 114 1.447 12.329 2.399 1.00 23.31 O ATOM 1821 CB LEU A 114 1.558 8.960 2.456 1.00 1.14 C ATOM 1822 CG LEU A 114 2.455 8.333 1.389 1.00 24.04 C ATOM 1823 CD1 LEU A 114 2.654 9.299 0.228 1.00 71.00 C ATOM 1824 CD2 LEU A 114 3.794 7.925 1.987 1.00 5.22 C ATOM 0 H LEU A 114 2.565 8.819 4.727 1.00 31.40 H new ATOM 0 HA LEU A 114 3.051 10.509 2.667 1.00 52.45 H new ATOM 0 HB2 LEU A 114 1.322 8.200 3.200 1.00 1.14 H new ATOM 0 HB3 LEU A 114 0.617 9.253 1.990 1.00 1.14 H new ATOM 0 HG LEU A 114 1.966 7.436 1.009 1.00 24.04 H new ATOM 0 HD11 LEU A 114 3.295 8.838 -0.523 1.00 71.00 H new ATOM 0 HD12 LEU A 114 1.688 9.538 -0.216 1.00 71.00 H new ATOM 0 HD13 LEU A 114 3.122 10.214 0.592 1.00 71.00 H new ATOM 0 HD21 LEU A 114 4.418 7.481 1.212 1.00 5.22 H new ATOM 0 HD22 LEU A 114 4.293 8.804 2.396 1.00 5.22 H new ATOM 0 HD23 LEU A 114 3.631 7.198 2.782 1.00 5.22 H new ATOM 1836 N PRO A 115 0.005 11.316 3.799 1.00 1.52 N ATOM 1837 CA PRO A 115 -0.997 12.400 3.735 1.00 23.52 C ATOM 1838 C PRO A 115 -0.416 13.791 4.013 1.00 12.32 C ATOM 1839 O PRO A 115 -0.779 14.765 3.352 1.00 34.14 O ATOM 1840 CB PRO A 115 -2.013 12.019 4.814 1.00 13.51 C ATOM 1841 CG PRO A 115 -1.913 10.541 4.918 1.00 20.14 C ATOM 1842 CD PRO A 115 -0.442 10.216 4.674 1.00 43.55 C ATOM 0 HA PRO A 115 -1.420 12.481 2.734 1.00 23.52 H new ATOM 0 HB2 PRO A 115 -1.781 12.500 5.764 1.00 13.51 H new ATOM 0 HB3 PRO A 115 -3.020 12.330 4.537 1.00 13.51 H new ATOM 0 HG2 PRO A 115 -2.234 10.194 5.900 1.00 20.14 H new ATOM 0 HG3 PRO A 115 -2.551 10.051 4.182 1.00 20.14 H new ATOM 0 HD2 PRO A 115 0.124 10.187 5.605 1.00 43.55 H new ATOM 0 HD3 PRO A 115 -0.318 9.245 4.195 1.00 43.55 H new ATOM 1850 N THR A 116 0.483 13.895 4.982 1.00 70.31 N ATOM 1851 CA THR A 116 1.096 15.179 5.295 1.00 64.13 C ATOM 1852 C THR A 116 2.375 15.379 4.475 1.00 44.02 C ATOM 1853 O THR A 116 2.789 16.511 4.214 1.00 65.43 O ATOM 1854 CB THR A 116 1.393 15.320 6.811 1.00 4.21 C ATOM 1855 OG1 THR A 116 1.785 16.663 7.122 1.00 24.13 O ATOM 1856 CG2 THR A 116 2.490 14.363 7.258 1.00 73.32 C ATOM 0 H THR A 116 0.801 13.116 5.559 1.00 70.31 H new ATOM 0 HA THR A 116 0.382 15.958 5.027 1.00 64.13 H new ATOM 0 HB THR A 116 0.476 15.071 7.345 1.00 4.21 H new ATOM 0 HG1 THR A 116 1.967 16.737 8.082 1.00 24.13 H new ATOM 0 HG21 THR A 116 2.671 14.490 8.325 1.00 73.32 H new ATOM 0 HG22 THR A 116 2.179 13.337 7.062 1.00 73.32 H new ATOM 0 HG23 THR A 116 3.406 14.576 6.707 1.00 73.32 H new ATOM 1864 N ALA A 117 2.973 14.273 4.041 1.00 32.00 N ATOM 1865 CA ALA A 117 4.198 14.311 3.254 1.00 34.11 C ATOM 1866 C ALA A 117 3.937 14.874 1.868 1.00 31.31 C ATOM 1867 O ALA A 117 4.621 15.795 1.437 1.00 12.54 O ATOM 1868 CB ALA A 117 4.816 12.924 3.152 1.00 11.41 C ATOM 0 H ALA A 117 2.624 13.332 4.224 1.00 32.00 H new ATOM 0 HA ALA A 117 4.902 14.969 3.764 1.00 34.11 H new ATOM 0 HB1 ALA A 117 5.730 12.975 2.560 1.00 11.41 H new ATOM 0 HB2 ALA A 117 5.051 12.556 4.151 1.00 11.41 H new ATOM 0 HB3 ALA A 117 4.111 12.246 2.672 1.00 11.41 H new ATOM 1874 N VAL A 118 2.936 14.333 1.173 1.00 12.12 N ATOM 1875 CA VAL A 118 2.591 14.820 -0.160 1.00 11.45 C ATOM 1876 C VAL A 118 2.202 16.291 -0.097 1.00 24.43 C ATOM 1877 O VAL A 118 2.447 17.050 -1.031 1.00 24.43 O ATOM 1878 CB VAL A 118 1.451 14.004 -0.814 1.00 30.44 C ATOM 1879 CG1 VAL A 118 1.888 12.567 -1.046 1.00 71.33 C ATOM 1880 CG2 VAL A 118 0.186 14.048 0.032 1.00 55.01 C ATOM 0 H VAL A 118 2.355 13.564 1.508 1.00 12.12 H new ATOM 0 HA VAL A 118 3.477 14.697 -0.783 1.00 11.45 H new ATOM 0 HB VAL A 118 1.225 14.459 -1.779 1.00 30.44 H new ATOM 0 HG11 VAL A 118 1.073 12.009 -1.507 1.00 71.33 H new ATOM 0 HG12 VAL A 118 2.756 12.553 -1.705 1.00 71.33 H new ATOM 0 HG13 VAL A 118 2.149 12.108 -0.093 1.00 71.33 H new ATOM 0 HG21 VAL A 118 -0.597 13.466 -0.454 1.00 55.01 H new ATOM 0 HG22 VAL A 118 0.392 13.629 1.017 1.00 55.01 H new ATOM 0 HG23 VAL A 118 -0.144 15.081 0.139 1.00 55.01 H new ATOM 1890 N GLN A 119 1.620 16.683 1.029 1.00 33.24 N ATOM 1891 CA GLN A 119 1.281 18.073 1.277 1.00 64.44 C ATOM 1892 C GLN A 119 2.547 18.920 1.316 1.00 11.41 C ATOM 1893 O GLN A 119 2.661 19.915 0.607 1.00 14.50 O ATOM 1894 CB GLN A 119 0.538 18.189 2.605 1.00 61.35 C ATOM 1895 CG GLN A 119 0.148 19.609 2.974 1.00 61.42 C ATOM 1896 CD GLN A 119 -0.417 19.720 4.376 1.00 52.43 C ATOM 1897 OE1 GLN A 119 -1.283 20.551 4.640 1.00 43.13 O ATOM 1898 NE2 GLN A 119 0.091 18.911 5.296 1.00 70.35 N ATOM 0 H GLN A 119 1.372 16.050 1.789 1.00 33.24 H new ATOM 0 HA GLN A 119 0.640 18.434 0.473 1.00 64.44 H new ATOM 0 HB2 GLN A 119 -0.362 17.576 2.560 1.00 61.35 H new ATOM 0 HB3 GLN A 119 1.164 17.778 3.397 1.00 61.35 H new ATOM 0 HG2 GLN A 119 1.022 20.255 2.888 1.00 61.42 H new ATOM 0 HG3 GLN A 119 -0.590 19.975 2.260 1.00 61.42 H new ATOM 0 HE21 GLN A 119 0.809 18.233 5.039 1.00 70.35 H new ATOM 0 HE22 GLN A 119 -0.236 18.966 6.261 1.00 70.35 H new ATOM 1907 N ALA A 120 3.507 18.492 2.130 1.00 61.14 N ATOM 1908 CA ALA A 120 4.756 19.219 2.299 1.00 51.44 C ATOM 1909 C ALA A 120 5.603 19.177 1.031 1.00 12.41 C ATOM 1910 O ALA A 120 6.291 20.138 0.707 1.00 60.42 O ATOM 1911 CB ALA A 120 5.537 18.655 3.476 1.00 34.40 C ATOM 0 H ALA A 120 3.441 17.639 2.685 1.00 61.14 H new ATOM 0 HA ALA A 120 4.512 20.262 2.501 1.00 51.44 H new ATOM 0 HB1 ALA A 120 6.470 19.207 3.592 1.00 34.40 H new ATOM 0 HB2 ALA A 120 4.944 18.750 4.385 1.00 34.40 H new ATOM 0 HB3 ALA A 120 5.758 17.603 3.295 1.00 34.40 H new ATOM 1917 N PHE A 121 5.543 18.070 0.304 1.00 42.14 N ATOM 1918 CA PHE A 121 6.340 17.919 -0.907 1.00 11.44 C ATOM 1919 C PHE A 121 5.778 18.752 -2.053 1.00 23.24 C ATOM 1920 O PHE A 121 6.511 19.154 -2.952 1.00 31.32 O ATOM 1921 CB PHE A 121 6.433 16.451 -1.323 1.00 44.44 C ATOM 1922 CG PHE A 121 7.315 15.626 -0.425 1.00 1.03 C ATOM 1923 CD1 PHE A 121 8.536 16.120 0.009 1.00 54.24 C ATOM 1924 CD2 PHE A 121 6.922 14.363 -0.012 1.00 42.00 C ATOM 1925 CE1 PHE A 121 9.349 15.367 0.835 1.00 31.54 C ATOM 1926 CE2 PHE A 121 7.732 13.605 0.813 1.00 50.23 C ATOM 1927 CZ PHE A 121 8.946 14.109 1.237 1.00 74.43 C ATOM 0 H PHE A 121 4.955 17.268 0.529 1.00 42.14 H new ATOM 0 HA PHE A 121 7.342 18.283 -0.680 1.00 11.44 H new ATOM 0 HB2 PHE A 121 5.432 16.020 -1.331 1.00 44.44 H new ATOM 0 HB3 PHE A 121 6.813 16.394 -2.343 1.00 44.44 H new ATOM 0 HD1 PHE A 121 8.855 17.104 -0.302 1.00 54.24 H new ATOM 0 HD2 PHE A 121 5.972 13.966 -0.338 1.00 42.00 H new ATOM 0 HE1 PHE A 121 10.298 15.762 1.166 1.00 31.54 H new ATOM 0 HE2 PHE A 121 7.416 12.621 1.125 1.00 50.23 H new ATOM 0 HZ PHE A 121 9.580 13.519 1.883 1.00 74.43 H new ATOM 1937 N ARG A 122 4.480 19.020 -2.017 1.00 42.13 N ATOM 1938 CA ARG A 122 3.848 19.853 -3.035 1.00 25.32 C ATOM 1939 C ARG A 122 3.729 21.288 -2.537 1.00 73.04 C ATOM 1940 O ARG A 122 2.935 22.076 -3.048 1.00 73.24 O ATOM 1941 CB ARG A 122 2.469 19.294 -3.408 1.00 63.34 C ATOM 1942 CG ARG A 122 2.532 17.941 -4.103 1.00 55.42 C ATOM 1943 CD ARG A 122 3.316 18.027 -5.402 1.00 2.22 C ATOM 1944 NE ARG A 122 3.640 16.712 -5.950 1.00 13.31 N ATOM 1945 CZ ARG A 122 4.819 16.404 -6.489 1.00 30.03 C ATOM 1946 NH1 ARG A 122 5.783 17.316 -6.573 1.00 2.41 N ATOM 1947 NH2 ARG A 122 5.030 15.184 -6.955 1.00 22.42 N ATOM 0 H ARG A 122 3.845 18.675 -1.297 1.00 42.13 H new ATOM 0 HA ARG A 122 4.471 19.845 -3.930 1.00 25.32 H new ATOM 0 HB2 ARG A 122 1.866 19.202 -2.505 1.00 63.34 H new ATOM 0 HB3 ARG A 122 1.961 20.005 -4.059 1.00 63.34 H new ATOM 0 HG2 ARG A 122 2.998 17.211 -3.442 1.00 55.42 H new ATOM 0 HG3 ARG A 122 1.522 17.587 -4.308 1.00 55.42 H new ATOM 0 HD2 ARG A 122 2.738 18.590 -6.135 1.00 2.22 H new ATOM 0 HD3 ARG A 122 4.238 18.582 -5.230 1.00 2.22 H new ATOM 0 HE ARG A 122 2.922 15.988 -5.918 1.00 13.31 H new ATOM 0 HH11 ARG A 122 5.623 18.261 -6.223 1.00 2.41 H new ATOM 0 HH12 ARG A 122 6.682 17.071 -6.987 1.00 2.41 H new ATOM 0 HH21 ARG A 122 4.291 14.483 -6.901 1.00 22.42 H new ATOM 0 HH22 ARG A 122 5.931 14.945 -7.368 1.00 22.42 H new ATOM 1961 N ARG A 123 4.558 21.625 -1.555 1.00 31.22 N ATOM 1962 CA ARG A 123 4.488 22.919 -0.894 1.00 5.54 C ATOM 1963 C ARG A 123 5.887 23.460 -0.605 1.00 71.21 C ATOM 1964 O ARG A 123 6.160 24.639 -0.830 1.00 71.20 O ATOM 1965 CB ARG A 123 3.662 22.762 0.392 1.00 21.54 C ATOM 1966 CG ARG A 123 3.757 23.908 1.382 1.00 30.34 C ATOM 1967 CD ARG A 123 4.808 23.631 2.444 1.00 12.35 C ATOM 1968 NE ARG A 123 4.505 24.321 3.691 1.00 65.23 N ATOM 1969 CZ ARG A 123 5.353 24.451 4.709 1.00 5.13 C ATOM 1970 NH1 ARG A 123 6.622 24.071 4.598 1.00 70.41 N ATOM 1971 NH2 ARG A 123 4.929 24.994 5.837 1.00 74.43 N ATOM 0 H ARG A 123 5.292 21.013 -1.198 1.00 31.22 H new ATOM 0 HA ARG A 123 4.002 23.645 -1.546 1.00 5.54 H new ATOM 0 HB2 ARG A 123 2.616 22.631 0.116 1.00 21.54 H new ATOM 0 HB3 ARG A 123 3.976 21.847 0.894 1.00 21.54 H new ATOM 0 HG2 ARG A 123 4.004 24.829 0.854 1.00 30.34 H new ATOM 0 HG3 ARG A 123 2.788 24.063 1.857 1.00 30.34 H new ATOM 0 HD2 ARG A 123 4.868 22.558 2.626 1.00 12.35 H new ATOM 0 HD3 ARG A 123 5.786 23.948 2.081 1.00 12.35 H new ATOM 0 HE ARG A 123 3.578 24.734 3.791 1.00 65.23 H new ATOM 0 HH11 ARG A 123 6.960 23.672 3.722 1.00 70.41 H new ATOM 0 HH12 ARG A 123 7.257 24.178 5.389 1.00 70.41 H new ATOM 0 HH21 ARG A 123 3.962 25.308 5.920 1.00 74.43 H new ATOM 0 HH22 ARG A 123 5.569 25.099 6.624 1.00 74.43 H new ATOM 1985 N ARG A 124 6.763 22.579 -0.128 1.00 14.04 N ATOM 1986 CA ARG A 124 8.133 22.927 0.247 1.00 53.43 C ATOM 1987 C ARG A 124 8.156 23.840 1.466 1.00 42.32 C ATOM 1988 O ARG A 124 8.171 25.076 1.297 1.00 32.42 O ATOM 1989 CB ARG A 124 8.907 23.564 -0.912 1.00 42.43 C ATOM 1990 CG ARG A 124 9.210 22.605 -2.053 1.00 14.20 C ATOM 1991 CD ARG A 124 9.761 21.276 -1.547 1.00 21.21 C ATOM 1992 NE ARG A 124 10.765 21.450 -0.497 1.00 53.15 N ATOM 1993 CZ ARG A 124 12.067 21.237 -0.660 1.00 24.23 C ATOM 1994 NH1 ARG A 124 12.548 20.877 -1.844 1.00 11.31 N ATOM 1995 NH2 ARG A 124 12.886 21.389 0.370 1.00 30.34 N ATOM 0 H ARG A 124 6.540 21.593 0.011 1.00 14.04 H new ATOM 0 HA ARG A 124 8.634 21.993 0.502 1.00 53.43 H new ATOM 0 HB2 ARG A 124 8.333 24.405 -1.300 1.00 42.43 H new ATOM 0 HB3 ARG A 124 9.845 23.967 -0.531 1.00 42.43 H new ATOM 0 HG2 ARG A 124 8.301 22.426 -2.628 1.00 14.20 H new ATOM 0 HG3 ARG A 124 9.931 23.063 -2.730 1.00 14.20 H new ATOM 0 HD2 ARG A 124 8.941 20.668 -1.164 1.00 21.21 H new ATOM 0 HD3 ARG A 124 10.202 20.728 -2.380 1.00 21.21 H new ATOM 0 HE ARG A 124 10.444 21.755 0.422 1.00 53.15 H new ATOM 0 HH11 ARG A 124 11.917 20.762 -2.637 1.00 11.31 H new ATOM 0 HH12 ARG A 124 13.548 20.716 -1.960 1.00 11.31 H new ATOM 0 HH21 ARG A 124 12.516 21.667 1.279 1.00 30.34 H new ATOM 0 HH22 ARG A 124 13.886 21.228 0.254 1.00 30.34 H new TER 2009 ARG A 124