USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=18 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= -1.17 K(o=-1.2,f=-0.013) USER MOD Set 2.1: A 89 LYS NZ :NH3+ -179:sc= 2.4 (180deg=2.38) USER MOD Set 2.2: A 90 GLN : amide:sc= -0.281! X(o=2.1!,f=2.2) USER MOD Set 3.1: A 85 MET CE :methyl -125:sc= -4.16! (180deg=-4.99!) USER MOD Set 3.2: A 112 MET CE :methyl 138:sc= -2.08 (180deg=-4.1!) USER MOD Set 4.1: A 39 THR OG1 : rot 76:sc= 1.13 USER MOD Set 4.2: A 43 GLN : amide:sc= 0.246 K(o=1.4,f=-0.049) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.26 (180deg=0.931) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.00021) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.6 K(o=-1.6,f=-0.13) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 112:sc= 0.512 USER MOD Single : A 26 CYS SG : rot 180:sc= -1.41 USER MOD Single : A 29 ASN : amide:sc= 0.125 K(o=0.12,f=-4.3!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 54 ASN : amide:sc= -2.87! C(o=-2.9!,f=-11!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -4.66! C(o=-4.7!,f=-3.5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.23! K(o=-1.2!,f=-0.057) USER MOD Single : A 74 THR OG1 : rot 83:sc= 1.15 USER MOD Single : A 95 SER OG : rot 20:sc= 1.12 USER MOD Single : A 100 SER OG : rot -45:sc= 1.25 USER MOD Single : A 104 LYS NZ :NH3+ -145:sc= -0.965! (180deg=-4.76!) USER MOD Single : A 109 HIS : no HE2:sc= -3! C(o=-3!,f=-6.9!) USER MOD Single : A 113 THR OG1 : rot -5:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.428 3.314 3.486 1.00 30.22 N ATOM 2 CA MET A 1 -20.198 2.265 4.505 1.00 20.41 C ATOM 3 C MET A 1 -19.110 2.713 5.473 1.00 62.23 C ATOM 4 O MET A 1 -18.624 3.840 5.393 1.00 72.54 O ATOM 5 CB MET A 1 -19.781 0.946 3.839 1.00 72.03 C ATOM 6 CG MET A 1 -20.772 0.426 2.812 1.00 54.21 C ATOM 7 SD MET A 1 -20.215 -1.099 2.031 1.00 34.02 S ATOM 8 CE MET A 1 -21.510 -1.355 0.820 1.00 11.41 C ATOM 0 H1 MET A 1 -21.348 3.156 3.027 1.00 30.22 H new ATOM 0 H2 MET A 1 -20.425 4.248 3.943 1.00 30.22 H new ATOM 0 H3 MET A 1 -19.673 3.275 2.771 1.00 30.22 H new ATOM 0 HA MET A 1 -21.128 2.104 5.050 1.00 20.41 H new ATOM 0 HB2 MET A 1 -18.814 1.086 3.356 1.00 72.03 H new ATOM 0 HB3 MET A 1 -19.645 0.189 4.612 1.00 72.03 H new ATOM 0 HG2 MET A 1 -21.734 0.254 3.294 1.00 54.21 H new ATOM 0 HG3 MET A 1 -20.931 1.186 2.047 1.00 54.21 H new ATOM 0 HE1 MET A 1 -21.305 -2.264 0.255 1.00 11.41 H new ATOM 0 HE2 MET A 1 -22.469 -1.452 1.328 1.00 11.41 H new ATOM 0 HE3 MET A 1 -21.544 -0.505 0.139 1.00 11.41 H new ATOM 20 N HIS A 2 -18.745 1.834 6.393 1.00 14.15 N ATOM 21 CA HIS A 2 -17.657 2.094 7.320 1.00 22.54 C ATOM 22 C HIS A 2 -16.944 0.796 7.655 1.00 31.13 C ATOM 23 O HIS A 2 -17.592 -0.241 7.809 1.00 22.30 O ATOM 24 CB HIS A 2 -18.169 2.762 8.600 1.00 22.05 C ATOM 25 CG HIS A 2 -18.210 4.259 8.531 1.00 22.33 C ATOM 26 ND1 HIS A 2 -19.373 4.996 8.608 1.00 41.10 N ATOM 27 CD2 HIS A 2 -17.208 5.158 8.418 1.00 5.33 C ATOM 28 CE1 HIS A 2 -19.080 6.281 8.544 1.00 73.04 C ATOM 29 NE2 HIS A 2 -17.772 6.410 8.431 1.00 20.34 N ATOM 0 H HIS A 2 -19.192 0.926 6.517 1.00 14.15 H new ATOM 0 HA HIS A 2 -16.955 2.778 6.842 1.00 22.54 H new ATOM 0 HB2 HIS A 2 -19.171 2.391 8.816 1.00 22.05 H new ATOM 0 HB3 HIS A 2 -17.532 2.464 9.433 1.00 22.05 H new ATOM 0 HD2 HIS A 2 -16.155 4.933 8.333 1.00 5.33 H new ATOM 0 HE1 HIS A 2 -19.792 7.092 8.578 1.00 73.04 H new ATOM 0 HE2 HIS A 2 -17.264 7.292 8.364 1.00 20.34 H new ATOM 38 N ASP A 3 -15.615 0.867 7.744 1.00 2.22 N ATOM 39 CA ASP A 3 -14.770 -0.297 8.038 1.00 73.22 C ATOM 40 C ASP A 3 -14.772 -1.295 6.886 1.00 1.22 C ATOM 41 O ASP A 3 -15.521 -1.143 5.927 1.00 22.32 O ATOM 42 CB ASP A 3 -15.209 -1.009 9.329 1.00 41.04 C ATOM 43 CG ASP A 3 -14.957 -0.194 10.580 1.00 13.54 C ATOM 44 OD1 ASP A 3 -15.746 0.731 10.868 1.00 51.33 O ATOM 45 OD2 ASP A 3 -13.981 -0.488 11.298 1.00 54.35 O ATOM 0 H ASP A 3 -15.091 1.733 7.615 1.00 2.22 H new ATOM 0 HA ASP A 3 -13.758 0.084 8.175 1.00 73.22 H new ATOM 0 HB2 ASP A 3 -16.272 -1.241 9.264 1.00 41.04 H new ATOM 0 HB3 ASP A 3 -14.679 -1.958 9.410 1.00 41.04 H new ATOM 50 N ILE A 4 -13.880 -2.286 7.007 1.00 0.23 N ATOM 51 CA ILE A 4 -13.751 -3.458 6.110 1.00 11.30 C ATOM 52 C ILE A 4 -13.375 -3.135 4.666 1.00 62.20 C ATOM 53 O ILE A 4 -12.616 -3.874 4.043 1.00 52.43 O ATOM 54 CB ILE A 4 -14.984 -4.405 6.129 1.00 71.50 C ATOM 55 CG1 ILE A 4 -16.139 -3.870 5.275 1.00 15.44 C ATOM 56 CG2 ILE A 4 -15.451 -4.643 7.558 1.00 20.53 C ATOM 57 CD1 ILE A 4 -17.212 -4.898 5.018 1.00 53.24 C ATOM 0 H ILE A 4 -13.195 -2.300 7.763 1.00 0.23 H new ATOM 0 HA ILE A 4 -12.903 -3.984 6.549 1.00 11.30 H new ATOM 0 HB ILE A 4 -14.668 -5.352 5.692 1.00 71.50 H new ATOM 0 HG12 ILE A 4 -16.582 -3.008 5.774 1.00 15.44 H new ATOM 0 HG13 ILE A 4 -15.745 -3.519 4.321 1.00 15.44 H new ATOM 0 HG21 ILE A 4 -16.315 -5.308 7.553 1.00 20.53 H new ATOM 0 HG22 ILE A 4 -14.645 -5.099 8.133 1.00 20.53 H new ATOM 0 HG23 ILE A 4 -15.728 -3.692 8.013 1.00 20.53 H new ATOM 0 HD11 ILE A 4 -18.000 -4.456 4.408 1.00 53.24 H new ATOM 0 HD12 ILE A 4 -16.781 -5.750 4.492 1.00 53.24 H new ATOM 0 HD13 ILE A 4 -17.631 -5.231 5.967 1.00 53.24 H new ATOM 69 N ASP A 5 -13.881 -2.046 4.162 1.00 31.22 N ATOM 70 CA ASP A 5 -13.694 -1.668 2.766 1.00 44.22 C ATOM 71 C ASP A 5 -14.154 -0.226 2.562 1.00 32.35 C ATOM 72 O ASP A 5 -13.499 0.701 3.045 1.00 2.21 O ATOM 73 CB ASP A 5 -14.470 -2.640 1.853 1.00 53.44 C ATOM 74 CG ASP A 5 -14.267 -2.397 0.365 1.00 73.43 C ATOM 75 OD1 ASP A 5 -13.204 -2.779 -0.169 1.00 62.44 O ATOM 76 OD2 ASP A 5 -15.192 -1.859 -0.280 1.00 43.21 O ATOM 0 H ASP A 5 -14.440 -1.383 4.700 1.00 31.22 H new ATOM 0 HA ASP A 5 -12.638 -1.730 2.503 1.00 44.22 H new ATOM 0 HB2 ASP A 5 -14.167 -3.660 2.087 1.00 53.44 H new ATOM 0 HB3 ASP A 5 -15.533 -2.563 2.080 1.00 53.44 H new ATOM 81 N ASP A 6 -15.294 -0.053 1.884 1.00 34.32 N ATOM 82 CA ASP A 6 -15.888 1.264 1.635 1.00 74.32 C ATOM 83 C ASP A 6 -15.005 2.098 0.701 1.00 43.00 C ATOM 84 O ASP A 6 -13.857 1.748 0.433 1.00 72.44 O ATOM 85 CB ASP A 6 -16.146 2.004 2.961 1.00 3.52 C ATOM 86 CG ASP A 6 -16.824 3.349 2.774 1.00 12.02 C ATOM 87 OD1 ASP A 6 -17.986 3.378 2.305 1.00 30.14 O ATOM 88 OD2 ASP A 6 -16.211 4.383 3.109 1.00 51.11 O ATOM 0 H ASP A 6 -15.832 -0.826 1.491 1.00 34.32 H new ATOM 0 HA ASP A 6 -16.847 1.115 1.139 1.00 74.32 H new ATOM 0 HB2 ASP A 6 -16.765 1.379 3.604 1.00 3.52 H new ATOM 0 HB3 ASP A 6 -15.198 2.151 3.478 1.00 3.52 H new ATOM 93 N TYR A 7 -15.553 3.185 0.180 1.00 24.43 N ATOM 94 CA TYR A 7 -14.795 4.078 -0.682 1.00 4.23 C ATOM 95 C TYR A 7 -14.200 5.219 0.139 1.00 24.12 C ATOM 96 O TYR A 7 -14.891 6.180 0.489 1.00 74.32 O ATOM 97 CB TYR A 7 -15.682 4.616 -1.812 1.00 23.22 C ATOM 98 CG TYR A 7 -16.100 3.550 -2.801 1.00 55.10 C ATOM 99 CD1 TYR A 7 -15.317 3.266 -3.911 1.00 44.32 C ATOM 100 CD2 TYR A 7 -17.273 2.824 -2.622 1.00 54.21 C ATOM 101 CE1 TYR A 7 -15.686 2.288 -4.816 1.00 5.31 C ATOM 102 CE2 TYR A 7 -17.650 1.844 -3.523 1.00 45.20 C ATOM 103 CZ TYR A 7 -16.852 1.580 -4.620 1.00 2.11 C ATOM 104 OH TYR A 7 -17.215 0.600 -5.517 1.00 24.04 O ATOM 0 H TYR A 7 -16.519 3.470 0.339 1.00 24.43 H new ATOM 0 HA TYR A 7 -13.977 3.520 -1.136 1.00 4.23 H new ATOM 0 HB2 TYR A 7 -16.573 5.071 -1.380 1.00 23.22 H new ATOM 0 HB3 TYR A 7 -15.146 5.404 -2.342 1.00 23.22 H new ATOM 0 HD1 TYR A 7 -14.403 3.819 -4.071 1.00 44.32 H new ATOM 0 HD2 TYR A 7 -17.899 3.029 -1.766 1.00 54.21 H new ATOM 0 HE1 TYR A 7 -15.063 2.080 -5.673 1.00 5.31 H new ATOM 0 HE2 TYR A 7 -18.563 1.288 -3.370 1.00 45.20 H new ATOM 0 HH TYR A 7 -18.062 0.195 -5.234 1.00 24.04 H new ATOM 114 N PRO A 8 -12.901 5.115 0.469 1.00 74.33 N ATOM 115 CA PRO A 8 -12.224 6.064 1.360 1.00 24.12 C ATOM 116 C PRO A 8 -12.128 7.464 0.768 1.00 64.10 C ATOM 117 O PRO A 8 -12.328 8.454 1.472 1.00 30.34 O ATOM 118 CB PRO A 8 -10.816 5.471 1.545 1.00 2.24 C ATOM 119 CG PRO A 8 -10.917 4.058 1.089 1.00 51.31 C ATOM 120 CD PRO A 8 -11.993 4.054 0.009 1.00 74.14 C ATOM 0 HA PRO A 8 -12.774 6.184 2.293 1.00 24.12 H new ATOM 0 HB2 PRO A 8 -10.079 6.021 0.960 1.00 2.24 H new ATOM 0 HB3 PRO A 8 -10.501 5.526 2.587 1.00 2.24 H new ATOM 0 HG2 PRO A 8 -9.964 3.704 0.695 1.00 51.31 H new ATOM 0 HG3 PRO A 8 -11.186 3.398 1.914 1.00 51.31 H new ATOM 0 HD2 PRO A 8 -11.581 4.270 -0.977 1.00 74.14 H new ATOM 0 HD3 PRO A 8 -12.496 3.090 -0.060 1.00 74.14 H new ATOM 128 N GLN A 9 -11.821 7.549 -0.522 1.00 43.12 N ATOM 129 CA GLN A 9 -11.647 8.839 -1.173 1.00 43.33 C ATOM 130 C GLN A 9 -11.483 8.677 -2.682 1.00 13.52 C ATOM 131 O GLN A 9 -12.438 8.869 -3.429 1.00 13.11 O ATOM 132 CB GLN A 9 -10.434 9.571 -0.580 1.00 41.10 C ATOM 133 CG GLN A 9 -10.253 10.990 -1.089 1.00 32.44 C ATOM 134 CD GLN A 9 -9.139 11.723 -0.369 1.00 35.22 C ATOM 135 OE1 GLN A 9 -9.177 12.941 -0.215 1.00 41.25 O ATOM 136 NE2 GLN A 9 -8.132 10.987 0.074 1.00 32.23 N ATOM 0 H GLN A 9 -11.688 6.743 -1.133 1.00 43.12 H new ATOM 0 HA GLN A 9 -12.543 9.433 -0.994 1.00 43.33 H new ATOM 0 HB2 GLN A 9 -10.534 9.596 0.505 1.00 41.10 H new ATOM 0 HB3 GLN A 9 -9.534 8.999 -0.804 1.00 41.10 H new ATOM 0 HG2 GLN A 9 -10.037 10.965 -2.157 1.00 32.44 H new ATOM 0 HG3 GLN A 9 -11.186 11.540 -0.965 1.00 32.44 H new ATOM 0 HE21 GLN A 9 -8.135 9.978 -0.072 1.00 32.23 H new ATOM 0 HE22 GLN A 9 -7.353 11.429 0.562 1.00 32.23 H new ATOM 145 N ALA A 10 -10.273 8.291 -3.105 1.00 71.22 N ATOM 146 CA ALA A 10 -9.928 8.170 -4.524 1.00 32.14 C ATOM 147 C ALA A 10 -9.970 9.531 -5.217 1.00 42.32 C ATOM 148 O ALA A 10 -11.038 10.051 -5.534 1.00 44.20 O ATOM 149 CB ALA A 10 -10.836 7.169 -5.230 1.00 44.33 C ATOM 0 H ALA A 10 -9.508 8.054 -2.473 1.00 71.22 H new ATOM 0 HA ALA A 10 -8.907 7.793 -4.586 1.00 32.14 H new ATOM 0 HB1 ALA A 10 -10.555 7.101 -6.281 1.00 44.33 H new ATOM 0 HB2 ALA A 10 -10.731 6.190 -4.763 1.00 44.33 H new ATOM 0 HB3 ALA A 10 -11.872 7.499 -5.152 1.00 44.33 H new ATOM 155 N LYS A 11 -8.796 10.106 -5.445 1.00 2.34 N ATOM 156 CA LYS A 11 -8.705 11.427 -6.043 1.00 73.23 C ATOM 157 C LYS A 11 -8.727 11.330 -7.567 1.00 51.04 C ATOM 158 O LYS A 11 -9.782 11.468 -8.186 1.00 41.33 O ATOM 159 CB LYS A 11 -7.448 12.151 -5.561 1.00 14.32 C ATOM 160 CG LYS A 11 -7.509 13.662 -5.726 1.00 43.45 C ATOM 161 CD LYS A 11 -8.547 14.273 -4.801 1.00 50.34 C ATOM 162 CE LYS A 11 -8.525 15.792 -4.841 1.00 22.40 C ATOM 163 NZ LYS A 11 -9.473 16.379 -3.859 1.00 34.43 N ATOM 0 H LYS A 11 -7.897 9.678 -5.225 1.00 2.34 H new ATOM 0 HA LYS A 11 -9.572 12.008 -5.728 1.00 73.23 H new ATOM 0 HB2 LYS A 11 -7.285 11.916 -4.509 1.00 14.32 H new ATOM 0 HB3 LYS A 11 -6.587 11.769 -6.110 1.00 14.32 H new ATOM 0 HG2 LYS A 11 -6.531 14.094 -5.515 1.00 43.45 H new ATOM 0 HG3 LYS A 11 -7.749 13.908 -6.760 1.00 43.45 H new ATOM 0 HD2 LYS A 11 -9.538 13.918 -5.084 1.00 50.34 H new ATOM 0 HD3 LYS A 11 -8.366 13.935 -3.781 1.00 50.34 H new ATOM 0 HE2 LYS A 11 -7.516 16.147 -4.631 1.00 22.40 H new ATOM 0 HE3 LYS A 11 -8.781 16.134 -5.844 1.00 22.40 H new ATOM 0 HZ1 LYS A 11 -9.431 17.417 -3.914 1.00 34.43 H new ATOM 0 HZ2 LYS A 11 -10.439 16.059 -4.075 1.00 34.43 H new ATOM 0 HZ3 LYS A 11 -9.213 16.072 -2.900 1.00 34.43 H new ATOM 177 N ARG A 12 -7.560 11.067 -8.151 1.00 30.34 N ATOM 178 CA ARG A 12 -7.387 10.959 -9.599 1.00 2.42 C ATOM 179 C ARG A 12 -5.901 10.830 -9.902 1.00 73.32 C ATOM 180 O ARG A 12 -5.134 10.488 -9.013 1.00 14.03 O ATOM 181 CB ARG A 12 -7.987 12.165 -10.336 1.00 14.31 C ATOM 182 CG ARG A 12 -7.532 13.518 -9.814 1.00 64.11 C ATOM 183 CD ARG A 12 -8.121 14.642 -10.646 1.00 12.33 C ATOM 184 NE ARG A 12 -9.570 14.506 -10.793 1.00 24.43 N ATOM 185 CZ ARG A 12 -10.371 15.469 -11.238 1.00 21.04 C ATOM 186 NH1 ARG A 12 -9.893 16.676 -11.506 1.00 52.45 N ATOM 187 NH2 ARG A 12 -11.663 15.228 -11.390 1.00 5.21 N ATOM 0 H ARG A 12 -6.697 10.921 -7.626 1.00 30.34 H new ATOM 0 HA ARG A 12 -7.919 10.076 -9.954 1.00 2.42 H new ATOM 0 HB2 ARG A 12 -7.729 12.093 -11.393 1.00 14.31 H new ATOM 0 HB3 ARG A 12 -9.074 12.111 -10.268 1.00 14.31 H new ATOM 0 HG2 ARG A 12 -7.836 13.632 -8.773 1.00 64.11 H new ATOM 0 HG3 ARG A 12 -6.444 13.574 -9.837 1.00 64.11 H new ATOM 0 HD2 ARG A 12 -7.891 15.599 -10.178 1.00 12.33 H new ATOM 0 HD3 ARG A 12 -7.655 14.648 -11.631 1.00 12.33 H new ATOM 0 HE ARG A 12 -9.993 13.614 -10.537 1.00 24.43 H new ATOM 0 HH11 ARG A 12 -8.901 16.873 -11.371 1.00 52.45 H new ATOM 0 HH12 ARG A 12 -10.517 17.407 -11.847 1.00 52.45 H new ATOM 0 HH21 ARG A 12 -12.040 14.307 -11.166 1.00 5.21 H new ATOM 0 HH22 ARG A 12 -12.282 15.963 -11.731 1.00 5.21 H new ATOM 201 N VAL A 13 -5.498 11.099 -11.141 1.00 13.31 N ATOM 202 CA VAL A 13 -4.094 10.977 -11.531 1.00 2.10 C ATOM 203 C VAL A 13 -3.154 11.741 -10.576 1.00 10.41 C ATOM 204 O VAL A 13 -2.174 11.171 -10.114 1.00 12.23 O ATOM 205 CB VAL A 13 -3.859 11.421 -12.993 1.00 64.25 C ATOM 206 CG1 VAL A 13 -2.385 11.322 -13.361 1.00 62.12 C ATOM 207 CG2 VAL A 13 -4.698 10.575 -13.938 1.00 0.11 C ATOM 0 H VAL A 13 -6.120 11.402 -11.890 1.00 13.31 H new ATOM 0 HA VAL A 13 -3.851 9.917 -11.458 1.00 2.10 H new ATOM 0 HB VAL A 13 -4.162 12.464 -13.088 1.00 64.25 H new ATOM 0 HG11 VAL A 13 -2.246 11.640 -14.394 1.00 62.12 H new ATOM 0 HG12 VAL A 13 -1.801 11.965 -12.702 1.00 62.12 H new ATOM 0 HG13 VAL A 13 -2.051 10.290 -13.251 1.00 62.12 H new ATOM 0 HG21 VAL A 13 -4.525 10.896 -14.965 1.00 0.11 H new ATOM 0 HG22 VAL A 13 -4.418 9.527 -13.834 1.00 0.11 H new ATOM 0 HG23 VAL A 13 -5.753 10.695 -13.694 1.00 0.11 H new ATOM 217 N PRO A 14 -3.405 13.035 -10.276 1.00 15.13 N ATOM 218 CA PRO A 14 -2.630 13.755 -9.266 1.00 71.24 C ATOM 219 C PRO A 14 -3.282 13.748 -7.873 1.00 52.51 C ATOM 220 O PRO A 14 -4.496 13.939 -7.737 1.00 71.21 O ATOM 221 CB PRO A 14 -2.590 15.174 -9.832 1.00 44.34 C ATOM 222 CG PRO A 14 -3.871 15.334 -10.592 1.00 31.10 C ATOM 223 CD PRO A 14 -4.385 13.923 -10.919 1.00 23.44 C ATOM 0 HA PRO A 14 -1.653 13.300 -9.102 1.00 71.24 H new ATOM 0 HB2 PRO A 14 -2.511 15.913 -9.035 1.00 44.34 H new ATOM 0 HB3 PRO A 14 -1.727 15.313 -10.483 1.00 44.34 H new ATOM 0 HG2 PRO A 14 -4.604 15.883 -10.000 1.00 31.10 H new ATOM 0 HG3 PRO A 14 -3.707 15.905 -11.506 1.00 31.10 H new ATOM 0 HD2 PRO A 14 -5.389 13.762 -10.526 1.00 23.44 H new ATOM 0 HD3 PRO A 14 -4.433 13.754 -11.995 1.00 23.44 H new ATOM 231 N GLY A 15 -2.463 13.522 -6.847 1.00 23.33 N ATOM 232 CA GLY A 15 -2.920 13.639 -5.467 1.00 43.41 C ATOM 233 C GLY A 15 -3.869 12.537 -5.028 1.00 32.25 C ATOM 234 O GLY A 15 -4.782 12.779 -4.241 1.00 73.24 O ATOM 0 H GLY A 15 -1.483 13.258 -6.947 1.00 23.33 H new ATOM 0 HA2 GLY A 15 -2.052 13.639 -4.808 1.00 43.41 H new ATOM 0 HA3 GLY A 15 -3.416 14.601 -5.341 1.00 43.41 H new ATOM 238 N LEU A 16 -3.638 11.326 -5.503 1.00 23.42 N ATOM 239 CA LEU A 16 -4.500 10.197 -5.189 1.00 11.44 C ATOM 240 C LEU A 16 -3.975 9.444 -3.978 1.00 14.15 C ATOM 241 O LEU A 16 -2.769 9.353 -3.759 1.00 35.40 O ATOM 242 CB LEU A 16 -4.613 9.267 -6.408 1.00 4.13 C ATOM 243 CG LEU A 16 -5.132 7.845 -6.149 1.00 22.14 C ATOM 244 CD1 LEU A 16 -6.512 7.864 -5.523 1.00 74.15 C ATOM 245 CD2 LEU A 16 -5.149 7.044 -7.443 1.00 51.40 C ATOM 0 H LEU A 16 -2.854 11.097 -6.113 1.00 23.42 H new ATOM 0 HA LEU A 16 -5.495 10.570 -4.945 1.00 11.44 H new ATOM 0 HB2 LEU A 16 -5.270 9.741 -7.137 1.00 4.13 H new ATOM 0 HB3 LEU A 16 -3.628 9.190 -6.869 1.00 4.13 H new ATOM 0 HG LEU A 16 -4.453 7.365 -5.444 1.00 22.14 H new ATOM 0 HD11 LEU A 16 -6.849 6.841 -5.353 1.00 74.15 H new ATOM 0 HD12 LEU A 16 -6.473 8.396 -4.572 1.00 74.15 H new ATOM 0 HD13 LEU A 16 -7.208 8.369 -6.193 1.00 74.15 H new ATOM 0 HD21 LEU A 16 -5.519 6.038 -7.244 1.00 51.40 H new ATOM 0 HD22 LEU A 16 -5.801 7.534 -8.166 1.00 51.40 H new ATOM 0 HD23 LEU A 16 -4.139 6.985 -7.848 1.00 51.40 H new ATOM 257 N VAL A 17 -4.894 8.935 -3.180 1.00 74.54 N ATOM 258 CA VAL A 17 -4.551 8.131 -2.029 1.00 75.54 C ATOM 259 C VAL A 17 -5.730 7.258 -1.611 1.00 21.33 C ATOM 260 O VAL A 17 -6.878 7.717 -1.577 1.00 74.13 O ATOM 261 CB VAL A 17 -4.096 9.009 -0.845 1.00 42.52 C ATOM 262 CG1 VAL A 17 -5.020 10.202 -0.666 1.00 4.42 C ATOM 263 CG2 VAL A 17 -4.027 8.194 0.432 1.00 12.10 C ATOM 0 H VAL A 17 -5.896 9.068 -3.313 1.00 74.54 H new ATOM 0 HA VAL A 17 -3.719 7.487 -2.314 1.00 75.54 H new ATOM 0 HB VAL A 17 -3.097 9.383 -1.069 1.00 42.52 H new ATOM 0 HG11 VAL A 17 -4.677 10.805 0.175 1.00 4.42 H new ATOM 0 HG12 VAL A 17 -5.013 10.807 -1.573 1.00 4.42 H new ATOM 0 HG13 VAL A 17 -6.034 9.851 -0.472 1.00 4.42 H new ATOM 0 HG21 VAL A 17 -3.704 8.833 1.254 1.00 12.10 H new ATOM 0 HG22 VAL A 17 -5.012 7.784 0.656 1.00 12.10 H new ATOM 0 HG23 VAL A 17 -3.315 7.378 0.305 1.00 12.10 H new ATOM 273 N VAL A 18 -5.445 5.995 -1.330 1.00 11.30 N ATOM 274 CA VAL A 18 -6.458 5.071 -0.844 1.00 71.32 C ATOM 275 C VAL A 18 -5.968 4.354 0.408 1.00 34.10 C ATOM 276 O VAL A 18 -4.763 4.281 0.665 1.00 51.25 O ATOM 277 CB VAL A 18 -6.865 4.029 -1.912 1.00 55.14 C ATOM 278 CG1 VAL A 18 -7.500 4.704 -3.116 1.00 35.20 C ATOM 279 CG2 VAL A 18 -5.669 3.201 -2.350 1.00 74.22 C ATOM 0 H VAL A 18 -4.516 5.586 -1.431 1.00 11.30 H new ATOM 0 HA VAL A 18 -7.340 5.666 -0.607 1.00 71.32 H new ATOM 0 HB VAL A 18 -7.600 3.363 -1.459 1.00 55.14 H new ATOM 0 HG11 VAL A 18 -7.777 3.949 -3.852 1.00 35.20 H new ATOM 0 HG12 VAL A 18 -8.391 5.248 -2.801 1.00 35.20 H new ATOM 0 HG13 VAL A 18 -6.788 5.400 -3.560 1.00 35.20 H new ATOM 0 HG21 VAL A 18 -5.984 2.476 -3.101 1.00 74.22 H new ATOM 0 HG22 VAL A 18 -4.908 3.856 -2.774 1.00 74.22 H new ATOM 0 HG23 VAL A 18 -5.256 2.675 -1.489 1.00 74.22 H new ATOM 289 N TYR A 19 -6.903 3.833 1.186 1.00 45.24 N ATOM 290 CA TYR A 19 -6.574 3.173 2.438 1.00 51.33 C ATOM 291 C TYR A 19 -6.630 1.660 2.281 1.00 42.41 C ATOM 292 O TYR A 19 -7.378 1.141 1.454 1.00 11.33 O ATOM 293 CB TYR A 19 -7.538 3.601 3.549 1.00 40.20 C ATOM 294 CG TYR A 19 -7.410 5.047 3.981 1.00 41.42 C ATOM 295 CD1 TYR A 19 -7.873 6.084 3.178 1.00 14.44 C ATOM 296 CD2 TYR A 19 -6.843 5.373 5.205 1.00 1.00 C ATOM 297 CE1 TYR A 19 -7.770 7.400 3.583 1.00 31.15 C ATOM 298 CE2 TYR A 19 -6.740 6.687 5.619 1.00 64.45 C ATOM 299 CZ TYR A 19 -7.205 7.697 4.804 1.00 65.44 C ATOM 300 OH TYR A 19 -7.108 9.008 5.213 1.00 41.05 O ATOM 0 H TYR A 19 -7.900 3.855 0.971 1.00 45.24 H new ATOM 0 HA TYR A 19 -5.561 3.469 2.710 1.00 51.33 H new ATOM 0 HB2 TYR A 19 -8.560 3.427 3.211 1.00 40.20 H new ATOM 0 HB3 TYR A 19 -7.376 2.962 4.417 1.00 40.20 H new ATOM 0 HD1 TYR A 19 -8.320 5.856 2.222 1.00 14.44 H new ATOM 0 HD2 TYR A 19 -6.476 4.585 5.846 1.00 1.00 H new ATOM 0 HE1 TYR A 19 -8.131 8.193 2.945 1.00 31.15 H new ATOM 0 HE2 TYR A 19 -6.298 6.922 6.576 1.00 64.45 H new ATOM 0 HH TYR A 19 -6.687 9.045 6.097 1.00 41.05 H new ATOM 310 N ARG A 20 -5.824 0.960 3.069 1.00 32.11 N ATOM 311 CA ARG A 20 -5.879 -0.493 3.116 1.00 23.51 C ATOM 312 C ARG A 20 -7.131 -0.924 3.866 1.00 62.14 C ATOM 313 O ARG A 20 -7.221 -0.747 5.081 1.00 11.42 O ATOM 314 CB ARG A 20 -4.628 -1.072 3.788 1.00 30.31 C ATOM 315 CG ARG A 20 -3.331 -0.726 3.067 1.00 20.05 C ATOM 316 CD ARG A 20 -2.100 -1.103 3.886 1.00 11.44 C ATOM 317 NE ARG A 20 -1.874 -2.549 3.960 1.00 63.54 N ATOM 318 CZ ARG A 20 -0.885 -3.109 4.667 1.00 14.32 C ATOM 319 NH1 ARG A 20 -0.117 -2.360 5.450 1.00 4.03 N ATOM 320 NH2 ARG A 20 -0.677 -4.415 4.612 1.00 22.10 N ATOM 0 H ARG A 20 -5.125 1.376 3.684 1.00 32.11 H new ATOM 0 HA ARG A 20 -5.914 -0.876 2.096 1.00 23.51 H new ATOM 0 HB2 ARG A 20 -4.573 -0.704 4.813 1.00 30.31 H new ATOM 0 HB3 ARG A 20 -4.725 -2.156 3.843 1.00 30.31 H new ATOM 0 HG2 ARG A 20 -3.300 -1.244 2.108 1.00 20.05 H new ATOM 0 HG3 ARG A 20 -3.310 0.343 2.853 1.00 20.05 H new ATOM 0 HD2 ARG A 20 -1.222 -0.627 3.450 1.00 11.44 H new ATOM 0 HD3 ARG A 20 -2.209 -0.707 4.896 1.00 11.44 H new ATOM 0 HE ARG A 20 -2.505 -3.162 3.444 1.00 63.54 H new ATOM 0 HH11 ARG A 20 -0.280 -1.355 5.514 1.00 4.03 H new ATOM 0 HH12 ARG A 20 0.636 -2.790 5.988 1.00 4.03 H new ATOM 0 HH21 ARG A 20 -1.272 -5.002 4.028 1.00 22.10 H new ATOM 0 HH22 ARG A 20 0.079 -4.834 5.154 1.00 22.10 H new ATOM 334 N TYR A 21 -8.094 -1.445 3.112 1.00 1.24 N ATOM 335 CA TYR A 21 -9.362 -1.938 3.650 1.00 24.32 C ATOM 336 C TYR A 21 -9.154 -2.773 4.914 1.00 73.44 C ATOM 337 O TYR A 21 -8.278 -3.639 4.970 1.00 12.43 O ATOM 338 CB TYR A 21 -10.087 -2.757 2.576 1.00 31.23 C ATOM 339 CG TYR A 21 -9.202 -3.789 1.914 1.00 12.41 C ATOM 340 CD1 TYR A 21 -8.336 -3.433 0.888 1.00 63.03 C ATOM 341 CD2 TYR A 21 -9.222 -5.115 2.324 1.00 42.21 C ATOM 342 CE1 TYR A 21 -7.512 -4.362 0.296 1.00 3.14 C ATOM 343 CE2 TYR A 21 -8.395 -6.050 1.738 1.00 74.03 C ATOM 344 CZ TYR A 21 -7.547 -5.669 0.722 1.00 55.04 C ATOM 345 OH TYR A 21 -6.702 -6.589 0.151 1.00 74.23 O ATOM 0 H TYR A 21 -8.017 -1.539 2.099 1.00 1.24 H new ATOM 0 HA TYR A 21 -9.974 -1.080 3.929 1.00 24.32 H new ATOM 0 HB2 TYR A 21 -10.943 -3.258 3.027 1.00 31.23 H new ATOM 0 HB3 TYR A 21 -10.478 -2.081 1.815 1.00 31.23 H new ATOM 0 HD1 TYR A 21 -8.309 -2.408 0.549 1.00 63.03 H new ATOM 0 HD2 TYR A 21 -9.894 -5.419 3.113 1.00 42.21 H new ATOM 0 HE1 TYR A 21 -6.842 -4.067 -0.498 1.00 3.14 H new ATOM 0 HE2 TYR A 21 -8.412 -7.076 2.074 1.00 74.03 H new ATOM 0 HH TYR A 21 -6.038 -6.877 0.811 1.00 74.23 H new ATOM 355 N ASP A 22 -9.966 -2.502 5.921 1.00 4.24 N ATOM 356 CA ASP A 22 -9.778 -3.092 7.241 1.00 73.34 C ATOM 357 C ASP A 22 -10.677 -4.318 7.431 1.00 4.23 C ATOM 358 O ASP A 22 -11.664 -4.270 8.168 1.00 4.35 O ATOM 359 CB ASP A 22 -10.076 -2.044 8.322 1.00 70.05 C ATOM 360 CG ASP A 22 -9.043 -2.034 9.433 1.00 43.21 C ATOM 361 OD1 ASP A 22 -9.021 -2.987 10.239 1.00 40.23 O ATOM 362 OD2 ASP A 22 -8.253 -1.064 9.511 1.00 62.41 O ATOM 0 H ASP A 22 -10.767 -1.874 5.852 1.00 4.24 H new ATOM 0 HA ASP A 22 -8.742 -3.419 7.329 1.00 73.34 H new ATOM 0 HB2 ASP A 22 -10.118 -1.057 7.862 1.00 70.05 H new ATOM 0 HB3 ASP A 22 -11.060 -2.239 8.749 1.00 70.05 H new ATOM 367 N ALA A 23 -10.338 -5.412 6.752 1.00 33.30 N ATOM 368 CA ALA A 23 -11.111 -6.652 6.830 1.00 22.34 C ATOM 369 C ALA A 23 -10.293 -7.834 6.335 1.00 4.14 C ATOM 370 O ALA A 23 -9.663 -7.762 5.280 1.00 14.41 O ATOM 371 CB ALA A 23 -12.379 -6.545 6.012 1.00 75.54 C ATOM 0 H ALA A 23 -9.526 -5.465 6.137 1.00 33.30 H new ATOM 0 HA ALA A 23 -11.371 -6.812 7.876 1.00 22.34 H new ATOM 0 HB1 ALA A 23 -12.938 -7.478 6.084 1.00 75.54 H new ATOM 0 HB2 ALA A 23 -12.989 -5.726 6.392 1.00 75.54 H new ATOM 0 HB3 ALA A 23 -12.124 -6.354 4.969 1.00 75.54 H new ATOM 377 N PRO A 24 -10.275 -8.932 7.104 1.00 61.11 N ATOM 378 CA PRO A 24 -9.499 -10.134 6.769 1.00 13.11 C ATOM 379 C PRO A 24 -9.886 -10.756 5.433 1.00 54.31 C ATOM 380 O PRO A 24 -10.933 -11.393 5.310 1.00 31.03 O ATOM 381 CB PRO A 24 -9.806 -11.102 7.916 1.00 13.02 C ATOM 382 CG PRO A 24 -10.213 -10.222 9.041 1.00 44.14 C ATOM 383 CD PRO A 24 -10.984 -9.082 8.387 1.00 71.11 C ATOM 0 HA PRO A 24 -8.441 -9.895 6.661 1.00 13.11 H new ATOM 0 HB2 PRO A 24 -10.601 -11.797 7.647 1.00 13.02 H new ATOM 0 HB3 PRO A 24 -8.933 -11.701 8.175 1.00 13.02 H new ATOM 0 HG2 PRO A 24 -10.834 -10.759 9.758 1.00 44.14 H new ATOM 0 HG3 PRO A 24 -9.345 -9.851 9.586 1.00 44.14 H new ATOM 0 HD2 PRO A 24 -12.036 -9.329 8.246 1.00 71.11 H new ATOM 0 HD3 PRO A 24 -10.948 -8.170 8.983 1.00 71.11 H new ATOM 391 N LEU A 25 -9.048 -10.542 4.429 1.00 44.33 N ATOM 392 CA LEU A 25 -9.198 -11.230 3.157 1.00 21.12 C ATOM 393 C LEU A 25 -8.032 -12.187 2.965 1.00 21.23 C ATOM 394 O LEU A 25 -8.019 -13.001 2.039 1.00 2.02 O ATOM 395 CB LEU A 25 -9.340 -10.230 1.977 1.00 15.33 C ATOM 396 CG LEU A 25 -8.073 -9.511 1.450 1.00 3.30 C ATOM 397 CD1 LEU A 25 -7.159 -9.039 2.570 1.00 33.43 C ATOM 398 CD2 LEU A 25 -7.314 -10.387 0.462 1.00 33.42 C ATOM 0 H LEU A 25 -8.258 -9.898 4.471 1.00 44.33 H new ATOM 0 HA LEU A 25 -10.122 -11.809 3.170 1.00 21.12 H new ATOM 0 HB2 LEU A 25 -9.786 -10.768 1.140 1.00 15.33 H new ATOM 0 HB3 LEU A 25 -10.053 -9.463 2.279 1.00 15.33 H new ATOM 0 HG LEU A 25 -8.417 -8.619 0.926 1.00 3.30 H new ATOM 0 HD11 LEU A 25 -6.287 -8.542 2.143 1.00 33.43 H new ATOM 0 HD12 LEU A 25 -7.698 -8.340 3.209 1.00 33.43 H new ATOM 0 HD13 LEU A 25 -6.835 -9.896 3.161 1.00 33.43 H new ATOM 0 HD21 LEU A 25 -6.430 -9.856 0.109 1.00 33.42 H new ATOM 0 HD22 LEU A 25 -7.010 -11.311 0.954 1.00 33.42 H new ATOM 0 HD23 LEU A 25 -7.958 -10.622 -0.385 1.00 33.42 H new ATOM 410 N CYS A 26 -7.054 -12.071 3.865 1.00 55.01 N ATOM 411 CA CYS A 26 -5.889 -12.946 3.868 1.00 73.14 C ATOM 412 C CYS A 26 -5.046 -12.729 2.613 1.00 64.11 C ATOM 413 O CYS A 26 -4.325 -11.733 2.518 1.00 14.01 O ATOM 414 CB CYS A 26 -6.309 -14.419 4.009 1.00 62.30 C ATOM 415 SG CYS A 26 -4.934 -15.599 4.031 1.00 0.12 S ATOM 0 H CYS A 26 -7.050 -11.371 4.607 1.00 55.01 H new ATOM 0 HA CYS A 26 -5.275 -12.692 4.732 1.00 73.14 H new ATOM 0 HB2 CYS A 26 -6.882 -14.533 4.929 1.00 62.30 H new ATOM 0 HB3 CYS A 26 -6.975 -14.673 3.185 1.00 62.30 H new ATOM 0 HG CYS A 26 -5.400 -16.806 4.155 1.00 0.12 H new ATOM 421 N PHE A 27 -5.173 -13.638 1.643 1.00 2.51 N ATOM 422 CA PHE A 27 -4.338 -13.616 0.443 1.00 44.33 C ATOM 423 C PHE A 27 -4.790 -14.677 -0.573 1.00 2.21 C ATOM 424 O PHE A 27 -4.192 -14.816 -1.641 1.00 73.43 O ATOM 425 CB PHE A 27 -2.866 -13.817 0.858 1.00 13.44 C ATOM 426 CG PHE A 27 -1.912 -14.192 -0.246 1.00 32.10 C ATOM 427 CD1 PHE A 27 -1.466 -13.249 -1.158 1.00 0.00 C ATOM 428 CD2 PHE A 27 -1.457 -15.499 -0.362 1.00 20.42 C ATOM 429 CE1 PHE A 27 -0.587 -13.603 -2.164 1.00 73.04 C ATOM 430 CE2 PHE A 27 -0.579 -15.856 -1.368 1.00 20.32 C ATOM 431 CZ PHE A 27 -0.143 -14.906 -2.270 1.00 30.40 C ATOM 0 H PHE A 27 -5.850 -14.401 1.667 1.00 2.51 H new ATOM 0 HA PHE A 27 -4.441 -12.651 -0.052 1.00 44.33 H new ATOM 0 HB2 PHE A 27 -2.511 -12.896 1.320 1.00 13.44 H new ATOM 0 HB3 PHE A 27 -2.828 -14.593 1.623 1.00 13.44 H new ATOM 0 HD1 PHE A 27 -1.809 -12.228 -1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.793 -16.245 0.342 1.00 20.42 H new ATOM 0 HE1 PHE A 27 -0.247 -12.859 -2.869 1.00 73.04 H new ATOM 0 HE2 PHE A 27 -0.235 -16.876 -1.448 1.00 20.32 H new ATOM 0 HZ PHE A 27 0.544 -15.181 -3.057 1.00 30.40 H new ATOM 441 N ALA A 28 -5.895 -15.361 -0.269 1.00 13.24 N ATOM 442 CA ALA A 28 -6.362 -16.511 -1.061 1.00 23.34 C ATOM 443 C ALA A 28 -6.272 -16.267 -2.570 1.00 21.11 C ATOM 444 O ALA A 28 -5.597 -17.003 -3.284 1.00 71.20 O ATOM 445 CB ALA A 28 -7.789 -16.865 -0.670 1.00 34.43 C ATOM 0 H ALA A 28 -6.492 -15.138 0.528 1.00 13.24 H new ATOM 0 HA ALA A 28 -5.699 -17.346 -0.836 1.00 23.34 H new ATOM 0 HB1 ALA A 28 -8.127 -17.717 -1.260 1.00 34.43 H new ATOM 0 HB2 ALA A 28 -7.823 -17.121 0.389 1.00 34.43 H new ATOM 0 HB3 ALA A 28 -8.440 -16.011 -0.858 1.00 34.43 H new ATOM 451 N ASN A 29 -6.948 -15.234 -3.048 1.00 12.41 N ATOM 452 CA ASN A 29 -6.879 -14.864 -4.458 1.00 75.23 C ATOM 453 C ASN A 29 -6.205 -13.506 -4.609 1.00 75.22 C ATOM 454 O ASN A 29 -6.200 -12.913 -5.688 1.00 43.33 O ATOM 455 CB ASN A 29 -8.285 -14.817 -5.076 1.00 61.23 C ATOM 456 CG ASN A 29 -9.148 -13.707 -4.499 1.00 13.24 C ATOM 457 OD1 ASN A 29 -9.012 -13.331 -3.333 1.00 0.54 O ATOM 458 ND2 ASN A 29 -10.043 -13.171 -5.316 1.00 32.24 N ATOM 0 H ASN A 29 -7.551 -14.636 -2.483 1.00 12.41 H new ATOM 0 HA ASN A 29 -6.292 -15.618 -4.983 1.00 75.23 H new ATOM 0 HB2 ASN A 29 -8.198 -14.680 -6.154 1.00 61.23 H new ATOM 0 HB3 ASN A 29 -8.779 -15.775 -4.915 1.00 61.23 H new ATOM 0 HD21 ASN A 29 -10.649 -12.420 -4.986 1.00 32.24 H new ATOM 0 HD22 ASN A 29 -10.126 -13.509 -6.275 1.00 32.24 H new ATOM 465 N ALA A 30 -5.588 -13.048 -3.521 1.00 2.21 N ATOM 466 CA ALA A 30 -5.108 -11.671 -3.415 1.00 44.53 C ATOM 467 C ALA A 30 -3.968 -11.365 -4.373 1.00 12.20 C ATOM 468 O ALA A 30 -3.652 -10.201 -4.589 1.00 61.44 O ATOM 469 CB ALA A 30 -4.678 -11.361 -1.993 1.00 32.34 C ATOM 0 H ALA A 30 -5.408 -13.616 -2.693 1.00 2.21 H new ATOM 0 HA ALA A 30 -5.947 -11.033 -3.694 1.00 44.53 H new ATOM 0 HB1 ALA A 30 -4.324 -10.332 -1.936 1.00 32.34 H new ATOM 0 HB2 ALA A 30 -5.525 -11.491 -1.320 1.00 32.34 H new ATOM 0 HB3 ALA A 30 -3.875 -12.037 -1.700 1.00 32.34 H new ATOM 475 N GLU A 31 -3.349 -12.390 -4.939 1.00 42.21 N ATOM 476 CA GLU A 31 -2.265 -12.174 -5.885 1.00 15.15 C ATOM 477 C GLU A 31 -2.793 -11.496 -7.148 1.00 14.15 C ATOM 478 O GLU A 31 -2.474 -10.335 -7.427 1.00 33.33 O ATOM 479 CB GLU A 31 -1.593 -13.496 -6.249 1.00 71.33 C ATOM 480 CG GLU A 31 -0.326 -13.311 -7.069 1.00 71.33 C ATOM 481 CD GLU A 31 0.202 -14.607 -7.642 1.00 34.10 C ATOM 482 OE1 GLU A 31 -0.180 -15.684 -7.150 1.00 22.04 O ATOM 483 OE2 GLU A 31 0.994 -14.547 -8.607 1.00 42.13 O ATOM 0 H GLU A 31 -3.575 -13.369 -4.763 1.00 42.21 H new ATOM 0 HA GLU A 31 -1.526 -11.526 -5.414 1.00 15.15 H new ATOM 0 HB2 GLU A 31 -1.352 -14.039 -5.335 1.00 71.33 H new ATOM 0 HB3 GLU A 31 -2.296 -14.112 -6.810 1.00 71.33 H new ATOM 0 HG2 GLU A 31 -0.526 -12.615 -7.884 1.00 71.33 H new ATOM 0 HG3 GLU A 31 0.442 -12.857 -6.443 1.00 71.33 H new ATOM 490 N ASP A 32 -3.624 -12.217 -7.894 1.00 44.14 N ATOM 491 CA ASP A 32 -4.210 -11.682 -9.119 1.00 14.43 C ATOM 492 C ASP A 32 -5.234 -10.603 -8.787 1.00 14.51 C ATOM 493 O ASP A 32 -5.436 -9.671 -9.560 1.00 63.53 O ATOM 494 CB ASP A 32 -4.857 -12.802 -9.943 1.00 61.54 C ATOM 495 CG ASP A 32 -5.543 -12.290 -11.199 1.00 73.44 C ATOM 496 OD1 ASP A 32 -4.847 -12.002 -12.197 1.00 42.44 O ATOM 497 OD2 ASP A 32 -6.787 -12.188 -11.196 1.00 62.24 O ATOM 0 H ASP A 32 -3.907 -13.172 -7.673 1.00 44.14 H new ATOM 0 HA ASP A 32 -3.415 -11.235 -9.716 1.00 14.43 H new ATOM 0 HB2 ASP A 32 -4.094 -13.528 -10.222 1.00 61.54 H new ATOM 0 HB3 ASP A 32 -5.586 -13.327 -9.325 1.00 61.54 H new ATOM 502 N PHE A 33 -5.867 -10.732 -7.623 1.00 25.23 N ATOM 503 CA PHE A 33 -6.803 -9.724 -7.136 1.00 32.24 C ATOM 504 C PHE A 33 -6.108 -8.375 -6.961 1.00 62.03 C ATOM 505 O PHE A 33 -6.594 -7.351 -7.444 1.00 4.42 O ATOM 506 CB PHE A 33 -7.430 -10.175 -5.808 1.00 70.10 C ATOM 507 CG PHE A 33 -8.016 -9.055 -4.999 1.00 3.45 C ATOM 508 CD1 PHE A 33 -9.100 -8.336 -5.474 1.00 73.30 C ATOM 509 CD2 PHE A 33 -7.468 -8.710 -3.771 1.00 44.12 C ATOM 510 CE1 PHE A 33 -9.630 -7.293 -4.743 1.00 50.44 C ATOM 511 CE2 PHE A 33 -7.998 -7.670 -3.034 1.00 52.43 C ATOM 512 CZ PHE A 33 -9.077 -6.958 -3.524 1.00 34.10 C ATOM 0 H PHE A 33 -5.747 -11.529 -6.998 1.00 25.23 H new ATOM 0 HA PHE A 33 -7.594 -9.608 -7.877 1.00 32.24 H new ATOM 0 HB2 PHE A 33 -8.211 -10.906 -6.016 1.00 70.10 H new ATOM 0 HB3 PHE A 33 -6.670 -10.681 -5.212 1.00 70.10 H new ATOM 0 HD1 PHE A 33 -9.536 -8.595 -6.428 1.00 73.30 H new ATOM 0 HD2 PHE A 33 -6.620 -9.260 -3.389 1.00 44.12 H new ATOM 0 HE1 PHE A 33 -10.476 -6.740 -5.124 1.00 50.44 H new ATOM 0 HE2 PHE A 33 -7.570 -7.413 -2.076 1.00 52.43 H new ATOM 0 HZ PHE A 33 -9.487 -6.139 -2.952 1.00 34.10 H new ATOM 522 N ARG A 34 -4.967 -8.380 -6.274 1.00 51.23 N ATOM 523 CA ARG A 34 -4.212 -7.157 -6.051 1.00 73.01 C ATOM 524 C ARG A 34 -3.804 -6.560 -7.381 1.00 35.51 C ATOM 525 O ARG A 34 -3.919 -5.350 -7.599 1.00 4.13 O ATOM 526 CB ARG A 34 -2.953 -7.422 -5.230 1.00 41.44 C ATOM 527 CG ARG A 34 -2.266 -6.151 -4.769 1.00 41.14 C ATOM 528 CD ARG A 34 -3.002 -5.536 -3.594 1.00 22.30 C ATOM 529 NE ARG A 34 -3.025 -6.438 -2.440 1.00 12.33 N ATOM 530 CZ ARG A 34 -4.132 -6.785 -1.783 1.00 23.24 C ATOM 531 NH1 ARG A 34 -5.305 -6.294 -2.157 1.00 41.13 N ATOM 532 NH2 ARG A 34 -4.061 -7.620 -0.748 1.00 62.33 N ATOM 0 H ARG A 34 -4.550 -9.216 -5.865 1.00 51.23 H new ATOM 0 HA ARG A 34 -4.852 -6.467 -5.501 1.00 73.01 H new ATOM 0 HB2 ARG A 34 -3.214 -8.023 -4.359 1.00 41.44 H new ATOM 0 HB3 ARG A 34 -2.255 -8.010 -5.826 1.00 41.44 H new ATOM 0 HG2 ARG A 34 -1.237 -6.371 -4.484 1.00 41.14 H new ATOM 0 HG3 ARG A 34 -2.223 -5.437 -5.591 1.00 41.14 H new ATOM 0 HD2 ARG A 34 -2.522 -4.598 -3.314 1.00 22.30 H new ATOM 0 HD3 ARG A 34 -4.023 -5.296 -3.889 1.00 22.30 H new ATOM 0 HE ARG A 34 -2.138 -6.825 -2.119 1.00 12.33 H new ATOM 0 HH11 ARG A 34 -5.360 -5.651 -2.947 1.00 41.13 H new ATOM 0 HH12 ARG A 34 -6.152 -6.559 -1.655 1.00 41.13 H new ATOM 0 HH21 ARG A 34 -3.158 -7.995 -0.457 1.00 62.33 H new ATOM 0 HH22 ARG A 34 -4.909 -7.884 -0.247 1.00 62.33 H new ATOM 546 N ARG A 35 -3.322 -7.432 -8.259 1.00 34.01 N ATOM 547 CA ARG A 35 -2.927 -7.034 -9.592 1.00 2.12 C ATOM 548 C ARG A 35 -4.097 -6.361 -10.286 1.00 55.43 C ATOM 549 O ARG A 35 -4.064 -5.167 -10.526 1.00 4.53 O ATOM 550 CB ARG A 35 -2.466 -8.247 -10.398 1.00 0.41 C ATOM 551 CG ARG A 35 -1.761 -7.889 -11.697 1.00 12.53 C ATOM 552 CD ARG A 35 -0.277 -8.195 -11.615 1.00 14.24 C ATOM 553 NE ARG A 35 -0.039 -9.623 -11.421 1.00 3.41 N ATOM 554 CZ ARG A 35 1.001 -10.127 -10.757 1.00 65.51 C ATOM 555 NH1 ARG A 35 1.908 -9.325 -10.214 1.00 12.05 N ATOM 556 NH2 ARG A 35 1.140 -11.440 -10.641 1.00 23.21 N ATOM 0 H ARG A 35 -3.197 -8.425 -8.063 1.00 34.01 H new ATOM 0 HA ARG A 35 -2.095 -6.333 -9.521 1.00 2.12 H new ATOM 0 HB2 ARG A 35 -1.793 -8.846 -9.784 1.00 0.41 H new ATOM 0 HB3 ARG A 35 -3.331 -8.871 -10.625 1.00 0.41 H new ATOM 0 HG2 ARG A 35 -2.206 -8.447 -12.521 1.00 12.53 H new ATOM 0 HG3 ARG A 35 -1.906 -6.831 -11.913 1.00 12.53 H new ATOM 0 HD2 ARG A 35 0.216 -7.863 -12.529 1.00 14.24 H new ATOM 0 HD3 ARG A 35 0.167 -7.635 -10.792 1.00 14.24 H new ATOM 0 HE ARG A 35 -0.713 -10.277 -11.820 1.00 3.41 H new ATOM 0 HH11 ARG A 35 1.813 -8.313 -10.303 1.00 12.05 H new ATOM 0 HH12 ARG A 35 2.700 -9.720 -9.708 1.00 12.05 H new ATOM 0 HH21 ARG A 35 0.451 -12.065 -11.060 1.00 23.21 H new ATOM 0 HH22 ARG A 35 1.936 -11.826 -10.133 1.00 23.21 H new ATOM 570 N ARG A 36 -5.150 -7.129 -10.532 1.00 32.23 N ATOM 571 CA ARG A 36 -6.303 -6.668 -11.299 1.00 4.54 C ATOM 572 C ARG A 36 -6.751 -5.276 -10.859 1.00 10.43 C ATOM 573 O ARG A 36 -6.793 -4.351 -11.664 1.00 12.11 O ATOM 574 CB ARG A 36 -7.459 -7.656 -11.136 1.00 2.04 C ATOM 575 CG ARG A 36 -8.516 -7.547 -12.220 1.00 0.02 C ATOM 576 CD ARG A 36 -7.924 -7.866 -13.583 1.00 13.21 C ATOM 577 NE ARG A 36 -7.183 -9.129 -13.570 1.00 3.42 N ATOM 578 CZ ARG A 36 -6.569 -9.649 -14.632 1.00 3.42 C ATOM 579 NH1 ARG A 36 -6.649 -9.047 -15.814 1.00 53.42 N ATOM 580 NH2 ARG A 36 -5.881 -10.776 -14.508 1.00 74.45 N ATOM 0 H ARG A 36 -5.230 -8.092 -10.205 1.00 32.23 H new ATOM 0 HA ARG A 36 -6.008 -6.611 -12.347 1.00 4.54 H new ATOM 0 HB2 ARG A 36 -7.060 -8.670 -11.132 1.00 2.04 H new ATOM 0 HB3 ARG A 36 -7.929 -7.494 -10.166 1.00 2.04 H new ATOM 0 HG2 ARG A 36 -9.336 -8.232 -12.005 1.00 0.02 H new ATOM 0 HG3 ARG A 36 -8.935 -6.541 -12.227 1.00 0.02 H new ATOM 0 HD2 ARG A 36 -8.723 -7.920 -14.323 1.00 13.21 H new ATOM 0 HD3 ARG A 36 -7.260 -7.058 -13.889 1.00 13.21 H new ATOM 0 HE ARG A 36 -7.134 -9.644 -12.691 1.00 3.42 H new ATOM 0 HH11 ARG A 36 -7.182 -8.183 -15.911 1.00 53.42 H new ATOM 0 HH12 ARG A 36 -6.177 -9.449 -16.624 1.00 53.42 H new ATOM 0 HH21 ARG A 36 -5.823 -11.241 -13.602 1.00 74.45 H new ATOM 0 HH22 ARG A 36 -5.409 -11.177 -15.318 1.00 74.45 H new ATOM 594 N ALA A 37 -7.017 -5.127 -9.568 1.00 13.33 N ATOM 595 CA ALA A 37 -7.624 -3.912 -9.039 1.00 10.15 C ATOM 596 C ALA A 37 -6.678 -2.720 -9.137 1.00 73.42 C ATOM 597 O ALA A 37 -6.958 -1.751 -9.843 1.00 33.53 O ATOM 598 CB ALA A 37 -8.055 -4.122 -7.594 1.00 4.24 C ATOM 0 H ALA A 37 -6.820 -5.838 -8.863 1.00 13.33 H new ATOM 0 HA ALA A 37 -8.502 -3.691 -9.647 1.00 10.15 H new ATOM 0 HB1 ALA A 37 -8.507 -3.206 -7.212 1.00 4.24 H new ATOM 0 HB2 ALA A 37 -8.782 -4.933 -7.545 1.00 4.24 H new ATOM 0 HB3 ALA A 37 -7.185 -4.378 -6.988 1.00 4.24 H new ATOM 604 N LEU A 38 -5.548 -2.804 -8.449 1.00 54.14 N ATOM 605 CA LEU A 38 -4.629 -1.673 -8.350 1.00 15.44 C ATOM 606 C LEU A 38 -3.958 -1.395 -9.694 1.00 73.22 C ATOM 607 O LEU A 38 -3.784 -0.243 -10.101 1.00 24.31 O ATOM 608 CB LEU A 38 -3.569 -1.934 -7.265 1.00 73.24 C ATOM 609 CG LEU A 38 -4.054 -1.811 -5.810 1.00 71.51 C ATOM 610 CD1 LEU A 38 -5.113 -2.851 -5.478 1.00 24.12 C ATOM 611 CD2 LEU A 38 -2.883 -1.940 -4.851 1.00 4.14 C ATOM 0 H LEU A 38 -5.244 -3.641 -7.951 1.00 54.14 H new ATOM 0 HA LEU A 38 -5.206 -0.792 -8.069 1.00 15.44 H new ATOM 0 HB2 LEU A 38 -3.167 -2.937 -7.410 1.00 73.24 H new ATOM 0 HB3 LEU A 38 -2.745 -1.236 -7.413 1.00 73.24 H new ATOM 0 HG LEU A 38 -4.507 -0.826 -5.698 1.00 71.51 H new ATOM 0 HD11 LEU A 38 -5.429 -2.730 -4.442 1.00 24.12 H new ATOM 0 HD12 LEU A 38 -5.971 -2.719 -6.137 1.00 24.12 H new ATOM 0 HD13 LEU A 38 -4.699 -3.850 -5.617 1.00 24.12 H new ATOM 0 HD21 LEU A 38 -3.241 -1.851 -3.825 1.00 4.14 H new ATOM 0 HD22 LEU A 38 -2.407 -2.911 -4.986 1.00 4.14 H new ATOM 0 HD23 LEU A 38 -2.159 -1.150 -5.052 1.00 4.14 H new ATOM 623 N THR A 39 -3.622 -2.453 -10.399 1.00 44.22 N ATOM 624 CA THR A 39 -2.941 -2.332 -11.671 1.00 44.42 C ATOM 625 C THR A 39 -3.835 -1.659 -12.710 1.00 72.43 C ATOM 626 O THR A 39 -3.354 -0.892 -13.544 1.00 63.43 O ATOM 627 CB THR A 39 -2.495 -3.716 -12.170 1.00 61.41 C ATOM 628 OG1 THR A 39 -1.646 -4.328 -11.193 1.00 12.34 O ATOM 629 CG2 THR A 39 -1.766 -3.635 -13.486 1.00 71.03 C ATOM 0 H THR A 39 -3.811 -3.413 -10.111 1.00 44.22 H new ATOM 0 HA THR A 39 -2.060 -1.707 -11.525 1.00 44.42 H new ATOM 0 HB THR A 39 -3.392 -4.316 -12.322 1.00 61.41 H new ATOM 0 HG1 THR A 39 -2.190 -4.660 -10.448 1.00 12.34 H new ATOM 0 HG21 THR A 39 -1.470 -4.636 -13.800 1.00 71.03 H new ATOM 0 HG22 THR A 39 -2.422 -3.198 -14.239 1.00 71.03 H new ATOM 0 HG23 THR A 39 -0.878 -3.013 -13.373 1.00 71.03 H new ATOM 637 N VAL A 40 -5.141 -1.909 -12.638 1.00 22.10 N ATOM 638 CA VAL A 40 -6.050 -1.375 -13.642 1.00 13.30 C ATOM 639 C VAL A 40 -6.539 0.029 -13.284 1.00 64.23 C ATOM 640 O VAL A 40 -6.966 0.783 -14.160 1.00 64.11 O ATOM 641 CB VAL A 40 -7.248 -2.313 -13.891 1.00 72.42 C ATOM 642 CG1 VAL A 40 -8.347 -2.099 -12.861 1.00 45.34 C ATOM 643 CG2 VAL A 40 -7.776 -2.139 -15.304 1.00 13.55 C ATOM 0 H VAL A 40 -5.584 -2.467 -11.909 1.00 22.10 H new ATOM 0 HA VAL A 40 -5.477 -1.306 -14.567 1.00 13.30 H new ATOM 0 HB VAL A 40 -6.899 -3.340 -13.782 1.00 72.42 H new ATOM 0 HG11 VAL A 40 -9.176 -2.777 -13.067 1.00 45.34 H new ATOM 0 HG12 VAL A 40 -7.955 -2.298 -11.864 1.00 45.34 H new ATOM 0 HG13 VAL A 40 -8.699 -1.069 -12.913 1.00 45.34 H new ATOM 0 HG21 VAL A 40 -8.621 -2.809 -15.462 1.00 13.55 H new ATOM 0 HG22 VAL A 40 -8.099 -1.108 -15.447 1.00 13.55 H new ATOM 0 HG23 VAL A 40 -6.988 -2.375 -16.019 1.00 13.55 H new ATOM 653 N VAL A 41 -6.490 0.385 -12.002 1.00 31.04 N ATOM 654 CA VAL A 41 -6.710 1.775 -11.614 1.00 33.12 C ATOM 655 C VAL A 41 -5.432 2.556 -11.882 1.00 23.15 C ATOM 656 O VAL A 41 -5.385 3.777 -11.724 1.00 54.12 O ATOM 657 CB VAL A 41 -7.143 1.940 -10.135 1.00 52.15 C ATOM 658 CG1 VAL A 41 -8.423 1.166 -9.862 1.00 54.44 C ATOM 659 CG2 VAL A 41 -6.038 1.511 -9.181 1.00 34.15 C ATOM 0 H VAL A 41 -6.304 -0.255 -11.230 1.00 31.04 H new ATOM 0 HA VAL A 41 -7.537 2.161 -12.210 1.00 33.12 H new ATOM 0 HB VAL A 41 -7.336 2.998 -9.961 1.00 52.15 H new ATOM 0 HG11 VAL A 41 -8.710 1.295 -8.818 1.00 54.44 H new ATOM 0 HG12 VAL A 41 -9.219 1.540 -10.506 1.00 54.44 H new ATOM 0 HG13 VAL A 41 -8.259 0.108 -10.065 1.00 54.44 H new ATOM 0 HG21 VAL A 41 -6.375 1.640 -8.152 1.00 34.15 H new ATOM 0 HG22 VAL A 41 -5.794 0.463 -9.355 1.00 34.15 H new ATOM 0 HG23 VAL A 41 -5.152 2.123 -9.352 1.00 34.15 H new ATOM 669 N ASP A 42 -4.403 1.786 -12.261 1.00 14.44 N ATOM 670 CA ASP A 42 -3.133 2.281 -12.794 1.00 14.34 C ATOM 671 C ASP A 42 -2.085 2.385 -11.716 1.00 0.01 C ATOM 672 O ASP A 42 -2.093 3.293 -10.893 1.00 24.14 O ATOM 673 CB ASP A 42 -3.265 3.600 -13.568 1.00 4.43 C ATOM 674 CG ASP A 42 -3.661 3.374 -15.011 1.00 60.44 C ATOM 675 OD1 ASP A 42 -2.981 2.584 -15.703 1.00 61.04 O ATOM 676 OD2 ASP A 42 -4.647 3.989 -15.469 1.00 21.02 O ATOM 0 H ASP A 42 -4.436 0.768 -12.202 1.00 14.44 H new ATOM 0 HA ASP A 42 -2.807 1.536 -13.520 1.00 14.34 H new ATOM 0 HB2 ASP A 42 -4.009 4.232 -13.083 1.00 4.43 H new ATOM 0 HB3 ASP A 42 -2.318 4.138 -13.532 1.00 4.43 H new ATOM 681 N GLN A 43 -1.195 1.410 -11.722 1.00 11.35 N ATOM 682 CA GLN A 43 -0.067 1.394 -10.813 1.00 74.14 C ATOM 683 C GLN A 43 1.181 0.968 -11.577 1.00 55.51 C ATOM 684 O GLN A 43 2.229 0.706 -10.995 1.00 20.24 O ATOM 685 CB GLN A 43 -0.349 0.445 -9.643 1.00 10.44 C ATOM 686 CG GLN A 43 -0.260 -1.034 -9.991 1.00 61.22 C ATOM 687 CD GLN A 43 -0.308 -1.919 -8.759 1.00 75.24 C ATOM 688 OE1 GLN A 43 0.087 -1.513 -7.669 1.00 51.34 O ATOM 689 NE2 GLN A 43 -0.771 -3.144 -8.925 1.00 51.21 N ATOM 0 H GLN A 43 -1.234 0.611 -12.355 1.00 11.35 H new ATOM 0 HA GLN A 43 0.094 2.391 -10.403 1.00 74.14 H new ATOM 0 HB2 GLN A 43 0.357 0.659 -8.840 1.00 10.44 H new ATOM 0 HB3 GLN A 43 -1.346 0.654 -9.255 1.00 10.44 H new ATOM 0 HG2 GLN A 43 -1.081 -1.298 -10.658 1.00 61.22 H new ATOM 0 HG3 GLN A 43 0.666 -1.222 -10.535 1.00 61.22 H new ATOM 0 HE21 GLN A 43 -1.091 -3.448 -9.845 1.00 51.21 H new ATOM 0 HE22 GLN A 43 -0.809 -3.786 -8.134 1.00 51.21 H new ATOM 698 N ASP A 44 1.048 0.930 -12.900 1.00 10.34 N ATOM 699 CA ASP A 44 2.115 0.446 -13.775 1.00 25.12 C ATOM 700 C ASP A 44 1.970 0.988 -15.207 1.00 43.14 C ATOM 701 O ASP A 44 2.926 1.545 -15.741 1.00 20.40 O ATOM 702 CB ASP A 44 2.160 -1.089 -13.787 1.00 33.43 C ATOM 703 CG ASP A 44 3.086 -1.639 -14.862 1.00 33.30 C ATOM 704 OD1 ASP A 44 4.317 -1.478 -14.742 1.00 34.32 O ATOM 705 OD2 ASP A 44 2.581 -2.243 -15.835 1.00 63.34 O ATOM 0 H ASP A 44 0.207 1.230 -13.393 1.00 10.34 H new ATOM 0 HA ASP A 44 3.056 0.820 -13.372 1.00 25.12 H new ATOM 0 HB2 ASP A 44 2.489 -1.447 -12.811 1.00 33.43 H new ATOM 0 HB3 ASP A 44 1.154 -1.477 -13.946 1.00 33.43 H new ATOM 710 N PRO A 45 0.789 0.840 -15.862 1.00 45.31 N ATOM 711 CA PRO A 45 0.599 1.332 -17.236 1.00 70.24 C ATOM 712 C PRO A 45 0.593 2.859 -17.308 1.00 71.44 C ATOM 713 O PRO A 45 1.455 3.464 -17.952 1.00 41.41 O ATOM 714 CB PRO A 45 -0.771 0.768 -17.661 1.00 21.53 C ATOM 715 CG PRO A 45 -1.117 -0.260 -16.640 1.00 14.41 C ATOM 716 CD PRO A 45 -0.431 0.192 -15.356 1.00 42.01 C ATOM 0 HA PRO A 45 1.413 1.014 -17.887 1.00 70.24 H new ATOM 0 HB2 PRO A 45 -1.525 1.555 -17.696 1.00 21.53 H new ATOM 0 HB3 PRO A 45 -0.722 0.329 -18.658 1.00 21.53 H new ATOM 0 HG2 PRO A 45 -2.196 -0.330 -16.504 1.00 14.41 H new ATOM 0 HG3 PRO A 45 -0.769 -1.247 -16.944 1.00 14.41 H new ATOM 0 HD2 PRO A 45 -1.051 0.883 -14.785 1.00 42.01 H new ATOM 0 HD3 PRO A 45 -0.203 -0.648 -14.700 1.00 42.01 H new ATOM 724 N GLY A 46 -0.380 3.477 -16.652 1.00 43.40 N ATOM 725 CA GLY A 46 -0.464 4.922 -16.641 1.00 23.04 C ATOM 726 C GLY A 46 0.351 5.536 -15.524 1.00 22.50 C ATOM 727 O GLY A 46 0.287 5.083 -14.379 1.00 74.04 O ATOM 0 H GLY A 46 -1.114 3.001 -16.127 1.00 43.40 H new ATOM 0 HA2 GLY A 46 -0.116 5.311 -17.598 1.00 23.04 H new ATOM 0 HA3 GLY A 46 -1.506 5.222 -16.535 1.00 23.04 H new ATOM 731 N GLN A 47 1.137 6.549 -15.857 1.00 20.34 N ATOM 732 CA GLN A 47 1.921 7.270 -14.866 1.00 0.31 C ATOM 733 C GLN A 47 1.007 8.119 -13.989 1.00 72.50 C ATOM 734 O GLN A 47 0.439 9.115 -14.442 1.00 1.30 O ATOM 735 CB GLN A 47 2.973 8.144 -15.550 1.00 50.13 C ATOM 736 CG GLN A 47 3.879 8.884 -14.578 1.00 33.25 C ATOM 737 CD GLN A 47 4.978 9.661 -15.279 1.00 64.53 C ATOM 738 OE1 GLN A 47 5.438 9.277 -16.357 1.00 22.44 O ATOM 739 NE2 GLN A 47 5.405 10.761 -14.679 1.00 44.12 N ATOM 0 H GLN A 47 1.249 6.891 -16.811 1.00 20.34 H new ATOM 0 HA GLN A 47 2.436 6.547 -14.233 1.00 0.31 H new ATOM 0 HB2 GLN A 47 3.586 7.519 -16.200 1.00 50.13 H new ATOM 0 HB3 GLN A 47 2.470 8.870 -16.189 1.00 50.13 H new ATOM 0 HG2 GLN A 47 3.280 9.570 -13.979 1.00 33.25 H new ATOM 0 HG3 GLN A 47 4.328 8.168 -13.889 1.00 33.25 H new ATOM 0 HE21 GLN A 47 4.999 11.046 -13.788 1.00 44.12 H new ATOM 0 HE22 GLN A 47 6.140 11.324 -15.108 1.00 44.12 H new ATOM 748 N VAL A 48 0.872 7.714 -12.736 1.00 71.40 N ATOM 749 CA VAL A 48 -0.058 8.347 -11.817 1.00 13.25 C ATOM 750 C VAL A 48 0.654 8.774 -10.531 1.00 60.40 C ATOM 751 O VAL A 48 1.604 8.120 -10.093 1.00 74.34 O ATOM 752 CB VAL A 48 -1.220 7.376 -11.498 1.00 43.34 C ATOM 753 CG1 VAL A 48 -0.679 6.042 -11.012 1.00 0.01 C ATOM 754 CG2 VAL A 48 -2.186 7.969 -10.481 1.00 34.51 C ATOM 0 H VAL A 48 1.401 6.942 -12.330 1.00 71.40 H new ATOM 0 HA VAL A 48 -0.463 9.242 -12.289 1.00 13.25 H new ATOM 0 HB VAL A 48 -1.778 7.212 -12.420 1.00 43.34 H new ATOM 0 HG11 VAL A 48 -1.509 5.371 -10.792 1.00 0.01 H new ATOM 0 HG12 VAL A 48 -0.051 5.601 -11.786 1.00 0.01 H new ATOM 0 HG13 VAL A 48 -0.088 6.196 -10.109 1.00 0.01 H new ATOM 0 HG21 VAL A 48 -2.988 7.258 -10.283 1.00 34.51 H new ATOM 0 HG22 VAL A 48 -1.653 8.182 -9.554 1.00 34.51 H new ATOM 0 HG23 VAL A 48 -2.609 8.892 -10.877 1.00 34.51 H new ATOM 764 N GLU A 49 0.201 9.884 -9.954 1.00 50.51 N ATOM 765 CA GLU A 49 0.740 10.393 -8.698 1.00 11.45 C ATOM 766 C GLU A 49 -0.209 10.049 -7.557 1.00 61.13 C ATOM 767 O GLU A 49 -1.247 10.695 -7.379 1.00 23.24 O ATOM 768 CB GLU A 49 0.930 11.912 -8.778 1.00 12.13 C ATOM 769 CG GLU A 49 1.494 12.530 -7.508 1.00 1.11 C ATOM 770 CD GLU A 49 1.413 14.044 -7.514 1.00 41.43 C ATOM 771 OE1 GLU A 49 0.352 14.583 -7.139 1.00 11.23 O ATOM 772 OE2 GLU A 49 2.404 14.705 -7.898 1.00 43.52 O ATOM 0 H GLU A 49 -0.549 10.455 -10.344 1.00 50.51 H new ATOM 0 HA GLU A 49 1.709 9.929 -8.515 1.00 11.45 H new ATOM 0 HB2 GLU A 49 1.597 12.142 -9.609 1.00 12.13 H new ATOM 0 HB3 GLU A 49 -0.030 12.377 -9.001 1.00 12.13 H new ATOM 0 HG2 GLU A 49 0.949 12.144 -6.647 1.00 1.11 H new ATOM 0 HG3 GLU A 49 2.534 12.225 -7.390 1.00 1.11 H new ATOM 779 N TRP A 50 0.139 9.036 -6.783 1.00 43.24 N ATOM 780 CA TRP A 50 -0.756 8.549 -5.755 1.00 41.34 C ATOM 781 C TRP A 50 0.002 7.800 -4.679 1.00 60.20 C ATOM 782 O TRP A 50 1.225 7.683 -4.738 1.00 13.23 O ATOM 783 CB TRP A 50 -1.829 7.646 -6.372 1.00 63.44 C ATOM 784 CG TRP A 50 -1.347 6.302 -6.842 1.00 10.41 C ATOM 785 CD1 TRP A 50 -0.331 6.046 -7.713 1.00 71.10 C ATOM 786 CD2 TRP A 50 -1.895 5.028 -6.481 1.00 61.11 C ATOM 787 NE1 TRP A 50 -0.205 4.691 -7.907 1.00 72.45 N ATOM 788 CE2 TRP A 50 -1.155 4.045 -7.163 1.00 63.23 C ATOM 789 CE3 TRP A 50 -2.939 4.623 -5.644 1.00 22.11 C ATOM 790 CZ2 TRP A 50 -1.424 2.685 -7.032 1.00 21.43 C ATOM 791 CZ3 TRP A 50 -3.205 3.275 -5.517 1.00 73.11 C ATOM 792 CH2 TRP A 50 -2.451 2.320 -6.209 1.00 61.41 C ATOM 0 H TRP A 50 1.028 8.540 -6.848 1.00 43.24 H new ATOM 0 HA TRP A 50 -1.238 9.410 -5.292 1.00 41.34 H new ATOM 0 HB2 TRP A 50 -2.618 7.493 -5.636 1.00 63.44 H new ATOM 0 HB3 TRP A 50 -2.278 8.168 -7.217 1.00 63.44 H new ATOM 0 HD1 TRP A 50 0.286 6.798 -8.183 1.00 71.10 H new ATOM 0 HE1 TRP A 50 0.485 4.240 -8.508 1.00 72.45 H new ATOM 0 HE3 TRP A 50 -3.527 5.352 -5.106 1.00 22.11 H new ATOM 0 HZ2 TRP A 50 -0.842 1.946 -7.562 1.00 21.43 H new ATOM 0 HZ3 TRP A 50 -4.009 2.951 -4.873 1.00 73.11 H new ATOM 0 HH2 TRP A 50 -2.686 1.273 -6.090 1.00 61.41 H new ATOM 803 N PHE A 51 -0.723 7.311 -3.686 1.00 54.33 N ATOM 804 CA PHE A 51 -0.122 6.501 -2.650 1.00 11.34 C ATOM 805 C PHE A 51 -1.178 5.758 -1.853 1.00 21.42 C ATOM 806 O PHE A 51 -2.369 6.073 -1.927 1.00 61.13 O ATOM 807 CB PHE A 51 0.746 7.359 -1.729 1.00 63.31 C ATOM 808 CG PHE A 51 0.007 8.325 -0.843 1.00 21.14 C ATOM 809 CD1 PHE A 51 -0.306 9.601 -1.287 1.00 11.43 C ATOM 810 CD2 PHE A 51 -0.332 7.971 0.455 1.00 71.04 C ATOM 811 CE1 PHE A 51 -0.952 10.499 -0.457 1.00 35.53 C ATOM 812 CE2 PHE A 51 -0.972 8.864 1.286 1.00 12.02 C ATOM 813 CZ PHE A 51 -1.282 10.131 0.833 1.00 70.42 C ATOM 0 H PHE A 51 -1.726 7.463 -3.579 1.00 54.33 H new ATOM 0 HA PHE A 51 0.516 5.760 -3.132 1.00 11.34 H new ATOM 0 HB2 PHE A 51 1.338 6.696 -1.098 1.00 63.31 H new ATOM 0 HB3 PHE A 51 1.447 7.923 -2.344 1.00 63.31 H new ATOM 0 HD1 PHE A 51 -0.042 9.897 -2.292 1.00 11.43 H new ATOM 0 HD2 PHE A 51 -0.091 6.983 0.818 1.00 71.04 H new ATOM 0 HE1 PHE A 51 -1.198 11.487 -0.817 1.00 35.53 H new ATOM 0 HE2 PHE A 51 -1.232 8.573 2.293 1.00 12.02 H new ATOM 0 HZ PHE A 51 -1.781 10.832 1.485 1.00 70.42 H new ATOM 823 N VAL A 52 -0.740 4.756 -1.112 1.00 22.24 N ATOM 824 CA VAL A 52 -1.644 3.999 -0.267 1.00 53.32 C ATOM 825 C VAL A 52 -1.147 3.978 1.168 1.00 23.11 C ATOM 826 O VAL A 52 0.059 3.950 1.432 1.00 40.14 O ATOM 827 CB VAL A 52 -1.845 2.546 -0.769 1.00 63.13 C ATOM 828 CG1 VAL A 52 -2.214 2.529 -2.244 1.00 72.34 C ATOM 829 CG2 VAL A 52 -0.614 1.690 -0.508 1.00 71.35 C ATOM 0 H VAL A 52 0.232 4.449 -1.078 1.00 22.24 H new ATOM 0 HA VAL A 52 -2.609 4.504 -0.312 1.00 53.32 H new ATOM 0 HB VAL A 52 -2.672 2.114 -0.205 1.00 63.13 H new ATOM 0 HG11 VAL A 52 -2.350 1.499 -2.573 1.00 72.34 H new ATOM 0 HG12 VAL A 52 -3.141 3.083 -2.394 1.00 72.34 H new ATOM 0 HG13 VAL A 52 -1.416 2.993 -2.824 1.00 72.34 H new ATOM 0 HG21 VAL A 52 -0.791 0.678 -0.873 1.00 71.35 H new ATOM 0 HG22 VAL A 52 0.244 2.118 -1.027 1.00 71.35 H new ATOM 0 HG23 VAL A 52 -0.412 1.660 0.563 1.00 71.35 H new ATOM 839 N LEU A 53 -2.082 4.021 2.087 1.00 24.02 N ATOM 840 CA LEU A 53 -1.770 3.911 3.493 1.00 44.23 C ATOM 841 C LEU A 53 -2.827 3.053 4.157 1.00 1.21 C ATOM 842 O LEU A 53 -3.934 2.931 3.645 1.00 73.23 O ATOM 843 CB LEU A 53 -1.676 5.295 4.155 1.00 2.04 C ATOM 844 CG LEU A 53 -2.996 6.000 4.489 1.00 61.30 C ATOM 845 CD1 LEU A 53 -2.719 7.285 5.252 1.00 73.02 C ATOM 846 CD2 LEU A 53 -3.797 6.299 3.234 1.00 75.24 C ATOM 0 H LEU A 53 -3.075 4.133 1.884 1.00 24.02 H new ATOM 0 HA LEU A 53 -0.794 3.441 3.612 1.00 44.23 H new ATOM 0 HB2 LEU A 53 -1.105 5.191 5.078 1.00 2.04 H new ATOM 0 HB3 LEU A 53 -1.101 5.947 3.497 1.00 2.04 H new ATOM 0 HG LEU A 53 -3.589 5.330 5.112 1.00 61.30 H new ATOM 0 HD11 LEU A 53 -3.662 7.780 5.486 1.00 73.02 H new ATOM 0 HD12 LEU A 53 -2.192 7.052 6.178 1.00 73.02 H new ATOM 0 HD13 LEU A 53 -2.104 7.946 4.641 1.00 73.02 H new ATOM 0 HD21 LEU A 53 -4.727 6.799 3.506 1.00 75.24 H new ATOM 0 HD22 LEU A 53 -3.216 6.946 2.577 1.00 75.24 H new ATOM 0 HD23 LEU A 53 -4.024 5.367 2.717 1.00 75.24 H new ATOM 858 N ASN A 54 -2.487 2.419 5.262 1.00 3.22 N ATOM 859 CA ASN A 54 -3.456 1.548 5.932 1.00 55.21 C ATOM 860 C ASN A 54 -4.597 2.341 6.568 1.00 22.15 C ATOM 861 O ASN A 54 -4.459 3.537 6.816 1.00 13.05 O ATOM 862 CB ASN A 54 -2.785 0.644 6.971 1.00 0.10 C ATOM 863 CG ASN A 54 -2.015 1.369 8.063 1.00 43.14 C ATOM 864 OD1 ASN A 54 -1.069 0.816 8.604 1.00 24.45 O ATOM 865 ND2 ASN A 54 -2.396 2.597 8.399 1.00 34.03 N ATOM 0 H ASN A 54 -1.574 2.481 5.712 1.00 3.22 H new ATOM 0 HA ASN A 54 -3.885 0.912 5.158 1.00 55.21 H new ATOM 0 HB2 ASN A 54 -3.551 0.025 7.439 1.00 0.10 H new ATOM 0 HB3 ASN A 54 -2.102 -0.031 6.455 1.00 0.10 H new ATOM 0 HD21 ASN A 54 -1.894 3.105 9.127 1.00 34.03 H new ATOM 0 HD22 ASN A 54 -3.190 3.031 7.928 1.00 34.03 H new ATOM 872 N ALA A 55 -5.714 1.663 6.832 1.00 2.32 N ATOM 873 CA ALA A 55 -6.889 2.309 7.409 1.00 23.34 C ATOM 874 C ALA A 55 -6.678 2.618 8.891 1.00 32.02 C ATOM 875 O ALA A 55 -6.237 3.709 9.243 1.00 24.14 O ATOM 876 CB ALA A 55 -8.127 1.446 7.208 1.00 51.12 C ATOM 0 H ALA A 55 -5.828 0.665 6.654 1.00 2.32 H new ATOM 0 HA ALA A 55 -7.041 3.256 6.890 1.00 23.34 H new ATOM 0 HB1 ALA A 55 -8.993 1.944 7.645 1.00 51.12 H new ATOM 0 HB2 ALA A 55 -8.295 1.294 6.142 1.00 51.12 H new ATOM 0 HB3 ALA A 55 -7.981 0.481 7.693 1.00 51.12 H new ATOM 882 N GLU A 56 -6.968 1.657 9.763 1.00 24.41 N ATOM 883 CA GLU A 56 -6.797 1.888 11.189 1.00 11.34 C ATOM 884 C GLU A 56 -6.167 0.681 11.877 1.00 21.45 C ATOM 885 O GLU A 56 -5.112 0.797 12.499 1.00 12.50 O ATOM 886 CB GLU A 56 -8.135 2.224 11.843 1.00 64.42 C ATOM 887 CG GLU A 56 -7.993 2.763 13.257 1.00 71.35 C ATOM 888 CD GLU A 56 -9.326 2.985 13.940 1.00 5.42 C ATOM 889 OE1 GLU A 56 -10.099 3.853 13.484 1.00 55.02 O ATOM 890 OE2 GLU A 56 -9.599 2.300 14.947 1.00 34.15 O ATOM 0 H GLU A 56 -7.315 0.731 9.513 1.00 24.41 H new ATOM 0 HA GLU A 56 -6.122 2.736 11.306 1.00 11.34 H new ATOM 0 HB2 GLU A 56 -8.656 2.960 11.231 1.00 64.42 H new ATOM 0 HB3 GLU A 56 -8.757 1.329 11.863 1.00 64.42 H new ATOM 0 HG2 GLU A 56 -7.399 2.066 13.848 1.00 71.35 H new ATOM 0 HG3 GLU A 56 -7.444 3.704 13.228 1.00 71.35 H new ATOM 897 N SER A 57 -6.807 -0.471 11.759 1.00 33.51 N ATOM 898 CA SER A 57 -6.325 -1.675 12.414 1.00 24.12 C ATOM 899 C SER A 57 -5.541 -2.526 11.421 1.00 54.24 C ATOM 900 O SER A 57 -4.317 -2.604 11.504 1.00 61.22 O ATOM 901 CB SER A 57 -7.503 -2.461 12.993 1.00 34.25 C ATOM 902 OG SER A 57 -8.338 -1.621 13.781 1.00 51.42 O ATOM 0 H SER A 57 -7.661 -0.597 11.216 1.00 33.51 H new ATOM 0 HA SER A 57 -5.660 -1.400 13.233 1.00 24.12 H new ATOM 0 HB2 SER A 57 -8.085 -2.901 12.183 1.00 34.25 H new ATOM 0 HB3 SER A 57 -7.131 -3.285 13.602 1.00 34.25 H new ATOM 0 HG SER A 57 -9.085 -2.145 14.139 1.00 51.42 H new ATOM 908 N ASN A 58 -6.268 -3.130 10.473 1.00 65.21 N ATOM 909 CA ASN A 58 -5.695 -3.898 9.354 1.00 64.40 C ATOM 910 C ASN A 58 -4.537 -4.821 9.761 1.00 53.43 C ATOM 911 O ASN A 58 -3.616 -5.059 8.982 1.00 63.02 O ATOM 912 CB ASN A 58 -5.277 -2.967 8.199 1.00 21.14 C ATOM 913 CG ASN A 58 -4.217 -1.947 8.571 1.00 72.31 C ATOM 914 OD1 ASN A 58 -3.020 -2.181 8.411 1.00 32.11 O ATOM 915 ND2 ASN A 58 -4.655 -0.797 9.063 1.00 64.20 N ATOM 0 H ASN A 58 -7.287 -3.100 10.459 1.00 65.21 H new ATOM 0 HA ASN A 58 -6.493 -4.556 9.009 1.00 64.40 H new ATOM 0 HB2 ASN A 58 -4.906 -3.575 7.374 1.00 21.14 H new ATOM 0 HB3 ASN A 58 -6.159 -2.440 7.835 1.00 21.14 H new ATOM 0 HD21 ASN A 58 -3.991 -0.068 9.324 1.00 64.20 H new ATOM 0 HD22 ASN A 58 -5.656 -0.641 9.181 1.00 64.20 H new ATOM 922 N VAL A 59 -4.624 -5.390 10.955 1.00 31.30 N ATOM 923 CA VAL A 59 -3.591 -6.291 11.444 1.00 55.42 C ATOM 924 C VAL A 59 -3.898 -7.724 11.023 1.00 33.52 C ATOM 925 O VAL A 59 -3.017 -8.467 10.588 1.00 35.21 O ATOM 926 CB VAL A 59 -3.493 -6.246 12.983 1.00 11.22 C ATOM 927 CG1 VAL A 59 -2.315 -7.071 13.476 1.00 32.03 C ATOM 928 CG2 VAL A 59 -3.391 -4.817 13.489 1.00 44.04 C ATOM 0 H VAL A 59 -5.399 -5.244 11.602 1.00 31.30 H new ATOM 0 HA VAL A 59 -2.644 -5.965 11.013 1.00 55.42 H new ATOM 0 HB VAL A 59 -4.409 -6.680 13.383 1.00 11.22 H new ATOM 0 HG11 VAL A 59 -2.267 -7.023 14.564 1.00 32.03 H new ATOM 0 HG12 VAL A 59 -2.441 -8.108 13.163 1.00 32.03 H new ATOM 0 HG13 VAL A 59 -1.391 -6.674 13.055 1.00 32.03 H new ATOM 0 HG21 VAL A 59 -3.323 -4.820 14.577 1.00 44.04 H new ATOM 0 HG22 VAL A 59 -2.501 -4.346 13.072 1.00 44.04 H new ATOM 0 HG23 VAL A 59 -4.275 -4.258 13.182 1.00 44.04 H new ATOM 938 N GLU A 60 -5.167 -8.089 11.138 1.00 23.31 N ATOM 939 CA GLU A 60 -5.601 -9.461 10.947 1.00 21.02 C ATOM 940 C GLU A 60 -6.234 -9.594 9.587 1.00 24.35 C ATOM 941 O GLU A 60 -6.572 -10.684 9.128 1.00 62.20 O ATOM 942 CB GLU A 60 -6.627 -9.847 12.017 1.00 31.34 C ATOM 943 CG GLU A 60 -6.474 -9.081 13.325 1.00 70.20 C ATOM 944 CD GLU A 60 -7.245 -7.772 13.329 1.00 24.44 C ATOM 945 OE1 GLU A 60 -6.804 -6.803 12.676 1.00 73.22 O ATOM 946 OE2 GLU A 60 -8.304 -7.712 13.984 1.00 41.12 O ATOM 0 H GLU A 60 -5.922 -7.442 11.366 1.00 23.31 H new ATOM 0 HA GLU A 60 -4.737 -10.121 11.027 1.00 21.02 H new ATOM 0 HB2 GLU A 60 -7.629 -9.677 11.623 1.00 31.34 H new ATOM 0 HB3 GLU A 60 -6.541 -10.914 12.220 1.00 31.34 H new ATOM 0 HG2 GLU A 60 -6.820 -9.705 14.149 1.00 70.20 H new ATOM 0 HG3 GLU A 60 -5.418 -8.877 13.501 1.00 70.20 H new ATOM 953 N VAL A 61 -6.387 -8.452 8.954 1.00 1.31 N ATOM 954 CA VAL A 61 -7.100 -8.355 7.706 1.00 10.20 C ATOM 955 C VAL A 61 -6.201 -8.746 6.547 1.00 52.32 C ATOM 956 O VAL A 61 -6.647 -9.327 5.549 1.00 31.11 O ATOM 957 CB VAL A 61 -7.635 -6.914 7.509 1.00 50.23 C ATOM 958 CG1 VAL A 61 -8.150 -6.363 8.832 1.00 62.42 C ATOM 959 CG2 VAL A 61 -6.588 -5.984 6.906 1.00 22.12 C ATOM 0 H VAL A 61 -6.018 -7.564 9.294 1.00 1.31 H new ATOM 0 HA VAL A 61 -7.944 -9.044 7.734 1.00 10.20 H new ATOM 0 HB VAL A 61 -8.458 -6.964 6.796 1.00 50.23 H new ATOM 0 HG11 VAL A 61 -8.524 -5.350 8.683 1.00 62.42 H new ATOM 0 HG12 VAL A 61 -8.956 -6.997 9.201 1.00 62.42 H new ATOM 0 HG13 VAL A 61 -7.339 -6.347 9.560 1.00 62.42 H new ATOM 0 HG21 VAL A 61 -7.012 -4.987 6.788 1.00 22.12 H new ATOM 0 HG22 VAL A 61 -5.722 -5.934 7.566 1.00 22.12 H new ATOM 0 HG23 VAL A 61 -6.281 -6.365 5.932 1.00 22.12 H new ATOM 969 N ASP A 62 -4.925 -8.491 6.738 1.00 50.42 N ATOM 970 CA ASP A 62 -3.967 -8.489 5.659 1.00 72.21 C ATOM 971 C ASP A 62 -2.881 -9.525 5.900 1.00 21.44 C ATOM 972 O ASP A 62 -2.134 -9.434 6.878 1.00 25.42 O ATOM 973 CB ASP A 62 -3.388 -7.077 5.569 1.00 14.55 C ATOM 974 CG ASP A 62 -2.157 -6.969 4.703 1.00 74.13 C ATOM 975 OD1 ASP A 62 -1.053 -7.269 5.206 1.00 11.00 O ATOM 976 OD2 ASP A 62 -2.276 -6.517 3.542 1.00 10.35 O ATOM 0 H ASP A 62 -4.523 -8.278 7.651 1.00 50.42 H new ATOM 0 HA ASP A 62 -4.444 -8.757 4.716 1.00 72.21 H new ATOM 0 HB2 ASP A 62 -4.153 -6.406 5.179 1.00 14.55 H new ATOM 0 HB3 ASP A 62 -3.144 -6.732 6.574 1.00 14.55 H new ATOM 981 N LEU A 63 -2.819 -10.527 5.028 1.00 74.21 N ATOM 982 CA LEU A 63 -1.858 -11.613 5.172 1.00 70.21 C ATOM 983 C LEU A 63 -1.041 -11.771 3.895 1.00 25.44 C ATOM 984 O LEU A 63 -1.571 -11.630 2.795 1.00 2.51 O ATOM 985 CB LEU A 63 -2.568 -12.939 5.497 1.00 52.15 C ATOM 986 CG LEU A 63 -3.051 -13.127 6.946 1.00 61.51 C ATOM 987 CD1 LEU A 63 -4.145 -12.133 7.309 1.00 50.15 C ATOM 988 CD2 LEU A 63 -3.562 -14.543 7.143 1.00 51.10 C ATOM 0 H LEU A 63 -3.426 -10.608 4.212 1.00 74.21 H new ATOM 0 HA LEU A 63 -1.192 -11.362 5.998 1.00 70.21 H new ATOM 0 HB2 LEU A 63 -3.429 -13.035 4.836 1.00 52.15 H new ATOM 0 HB3 LEU A 63 -1.889 -13.757 5.256 1.00 52.15 H new ATOM 0 HG LEU A 63 -2.201 -12.946 7.604 1.00 61.51 H new ATOM 0 HD11 LEU A 63 -4.459 -12.298 8.340 1.00 50.15 H new ATOM 0 HD12 LEU A 63 -3.763 -11.117 7.204 1.00 50.15 H new ATOM 0 HD13 LEU A 63 -4.997 -12.271 6.643 1.00 50.15 H new ATOM 0 HD21 LEU A 63 -3.902 -14.667 8.171 1.00 51.10 H new ATOM 0 HD22 LEU A 63 -4.392 -14.728 6.461 1.00 51.10 H new ATOM 0 HD23 LEU A 63 -2.759 -15.251 6.938 1.00 51.10 H new ATOM 1000 N THR A 64 0.254 -12.040 4.051 1.00 52.22 N ATOM 1001 CA THR A 64 1.139 -12.286 2.914 1.00 73.13 C ATOM 1002 C THR A 64 1.188 -11.048 2.000 1.00 43.22 C ATOM 1003 O THR A 64 1.429 -11.135 0.781 1.00 75.13 O ATOM 1004 CB THR A 64 0.674 -13.542 2.141 1.00 45.55 C ATOM 1005 OG1 THR A 64 0.409 -14.612 3.067 1.00 32.54 O ATOM 1006 CG2 THR A 64 1.731 -14.006 1.153 1.00 60.15 C ATOM 0 H THR A 64 0.716 -12.093 4.959 1.00 52.22 H new ATOM 0 HA THR A 64 2.149 -12.471 3.279 1.00 73.13 H new ATOM 0 HB THR A 64 -0.230 -13.279 1.592 1.00 45.55 H new ATOM 0 HG1 THR A 64 0.113 -15.406 2.574 1.00 32.54 H new ATOM 0 HG21 THR A 64 1.373 -14.891 0.626 1.00 60.15 H new ATOM 0 HG22 THR A 64 1.931 -13.211 0.434 1.00 60.15 H new ATOM 0 HG23 THR A 64 2.648 -14.249 1.689 1.00 60.15 H new ATOM 1014 N ALA A 65 0.979 -9.886 2.620 1.00 60.42 N ATOM 1015 CA ALA A 65 0.999 -8.618 1.909 1.00 24.01 C ATOM 1016 C ALA A 65 2.333 -8.400 1.241 1.00 22.21 C ATOM 1017 O ALA A 65 2.387 -8.036 0.076 1.00 1.11 O ATOM 1018 CB ALA A 65 0.713 -7.463 2.844 1.00 1.00 C ATOM 0 H ALA A 65 0.793 -9.802 3.619 1.00 60.42 H new ATOM 0 HA ALA A 65 0.218 -8.659 1.149 1.00 24.01 H new ATOM 0 HB1 ALA A 65 0.735 -6.528 2.284 1.00 1.00 H new ATOM 0 HB2 ALA A 65 -0.271 -7.594 3.294 1.00 1.00 H new ATOM 0 HB3 ALA A 65 1.469 -7.434 3.628 1.00 1.00 H new ATOM 1024 N LEU A 66 3.411 -8.624 1.982 1.00 14.40 N ATOM 1025 CA LEU A 66 4.745 -8.468 1.428 1.00 70.11 C ATOM 1026 C LEU A 66 4.889 -9.220 0.107 1.00 70.32 C ATOM 1027 O LEU A 66 5.417 -8.676 -0.860 1.00 51.42 O ATOM 1028 CB LEU A 66 5.870 -8.834 2.434 1.00 33.13 C ATOM 1029 CG LEU A 66 5.918 -10.246 3.084 1.00 74.43 C ATOM 1030 CD1 LEU A 66 4.588 -10.663 3.697 1.00 52.12 C ATOM 1031 CD2 LEU A 66 6.410 -11.301 2.103 1.00 54.10 C ATOM 0 H LEU A 66 3.386 -8.912 2.960 1.00 14.40 H new ATOM 0 HA LEU A 66 4.871 -7.406 1.220 1.00 70.11 H new ATOM 0 HB2 LEU A 66 6.821 -8.683 1.923 1.00 33.13 H new ATOM 0 HB3 LEU A 66 5.825 -8.108 3.245 1.00 33.13 H new ATOM 0 HG LEU A 66 6.637 -10.173 3.900 1.00 74.43 H new ATOM 0 HD11 LEU A 66 4.685 -11.657 4.135 1.00 52.12 H new ATOM 0 HD12 LEU A 66 4.306 -9.951 4.472 1.00 52.12 H new ATOM 0 HD13 LEU A 66 3.820 -10.680 2.923 1.00 52.12 H new ATOM 0 HD21 LEU A 66 6.430 -12.274 2.594 1.00 54.10 H new ATOM 0 HD22 LEU A 66 5.739 -11.341 1.245 1.00 54.10 H new ATOM 0 HD23 LEU A 66 7.414 -11.044 1.766 1.00 54.10 H new ATOM 1043 N ASP A 67 4.356 -10.429 0.035 1.00 64.42 N ATOM 1044 CA ASP A 67 4.455 -11.209 -1.185 1.00 4.11 C ATOM 1045 C ASP A 67 3.693 -10.523 -2.304 1.00 32.24 C ATOM 1046 O ASP A 67 4.288 -9.859 -3.143 1.00 21.21 O ATOM 1047 CB ASP A 67 3.934 -12.630 -0.988 1.00 1.13 C ATOM 1048 CG ASP A 67 4.069 -13.474 -2.244 1.00 14.32 C ATOM 1049 OD1 ASP A 67 5.137 -14.098 -2.432 1.00 0.11 O ATOM 1050 OD2 ASP A 67 3.117 -13.516 -3.046 1.00 41.01 O ATOM 0 H ASP A 67 3.856 -10.886 0.798 1.00 64.42 H new ATOM 0 HA ASP A 67 5.509 -11.277 -1.454 1.00 4.11 H new ATOM 0 HB2 ASP A 67 4.481 -13.105 -0.173 1.00 1.13 H new ATOM 0 HB3 ASP A 67 2.886 -12.592 -0.689 1.00 1.13 H new ATOM 1055 N ALA A 68 2.377 -10.626 -2.289 1.00 14.31 N ATOM 1056 CA ALA A 68 1.585 -10.090 -3.388 1.00 43.34 C ATOM 1057 C ALA A 68 1.690 -8.574 -3.440 1.00 41.41 C ATOM 1058 O ALA A 68 2.196 -7.992 -4.413 1.00 34.22 O ATOM 1059 CB ALA A 68 0.130 -10.504 -3.254 1.00 4.50 C ATOM 0 H ALA A 68 1.838 -11.067 -1.544 1.00 14.31 H new ATOM 0 HA ALA A 68 1.982 -10.500 -4.317 1.00 43.34 H new ATOM 0 HB1 ALA A 68 -0.443 -10.093 -4.085 1.00 4.50 H new ATOM 0 HB2 ALA A 68 0.059 -11.592 -3.267 1.00 4.50 H new ATOM 0 HB3 ALA A 68 -0.271 -10.125 -2.314 1.00 4.50 H new ATOM 1065 N LEU A 69 1.248 -7.950 -2.359 1.00 12.02 N ATOM 1066 CA LEU A 69 1.136 -6.507 -2.284 1.00 25.24 C ATOM 1067 C LEU A 69 2.498 -5.826 -2.409 1.00 42.32 C ATOM 1068 O LEU A 69 2.623 -4.892 -3.183 1.00 24.42 O ATOM 1069 CB LEU A 69 0.413 -6.104 -0.977 1.00 74.22 C ATOM 1070 CG LEU A 69 0.166 -4.601 -0.731 1.00 62.02 C ATOM 1071 CD1 LEU A 69 1.401 -3.931 -0.147 1.00 30.54 C ATOM 1072 CD2 LEU A 69 -0.274 -3.904 -2.013 1.00 42.32 C ATOM 0 H LEU A 69 0.957 -8.433 -1.509 1.00 12.02 H new ATOM 0 HA LEU A 69 0.540 -6.163 -3.129 1.00 25.24 H new ATOM 0 HB2 LEU A 69 -0.552 -6.611 -0.957 1.00 74.22 H new ATOM 0 HB3 LEU A 69 0.993 -6.491 -0.139 1.00 74.22 H new ATOM 0 HG LEU A 69 -0.640 -4.511 -0.003 1.00 62.02 H new ATOM 0 HD11 LEU A 69 1.198 -2.873 0.016 1.00 30.54 H new ATOM 0 HD12 LEU A 69 1.656 -4.402 0.802 1.00 30.54 H new ATOM 0 HD13 LEU A 69 2.235 -4.038 -0.840 1.00 30.54 H new ATOM 0 HD21 LEU A 69 -0.442 -2.846 -1.813 1.00 42.32 H new ATOM 0 HD22 LEU A 69 0.502 -4.011 -2.770 1.00 42.32 H new ATOM 0 HD23 LEU A 69 -1.198 -4.356 -2.374 1.00 42.32 H new ATOM 1084 N ASP A 70 3.525 -6.296 -1.695 1.00 25.14 N ATOM 1085 CA ASP A 70 4.768 -5.532 -1.627 1.00 45.24 C ATOM 1086 C ASP A 70 5.624 -5.768 -2.857 1.00 13.23 C ATOM 1087 O ASP A 70 6.351 -4.871 -3.283 1.00 33.51 O ATOM 1088 CB ASP A 70 5.563 -5.859 -0.372 1.00 4.14 C ATOM 1089 CG ASP A 70 6.583 -4.794 -0.041 1.00 35.44 C ATOM 1090 OD1 ASP A 70 6.274 -3.595 -0.226 1.00 4.30 O ATOM 1091 OD2 ASP A 70 7.676 -5.139 0.445 1.00 63.43 O ATOM 0 H ASP A 70 3.522 -7.172 -1.173 1.00 25.14 H new ATOM 0 HA ASP A 70 4.490 -4.479 -1.589 1.00 45.24 H new ATOM 0 HB2 ASP A 70 4.878 -5.976 0.468 1.00 4.14 H new ATOM 0 HB3 ASP A 70 6.070 -6.815 -0.505 1.00 4.14 H new ATOM 1096 N GLN A 71 5.538 -6.969 -3.434 1.00 74.53 N ATOM 1097 CA GLN A 71 6.212 -7.231 -4.696 1.00 21.31 C ATOM 1098 C GLN A 71 5.760 -6.225 -5.731 1.00 45.51 C ATOM 1099 O GLN A 71 6.576 -5.478 -6.259 1.00 52.53 O ATOM 1100 CB GLN A 71 5.951 -8.643 -5.205 1.00 72.34 C ATOM 1101 CG GLN A 71 6.932 -9.679 -4.673 1.00 43.14 C ATOM 1102 CD GLN A 71 6.578 -11.094 -5.097 1.00 13.30 C ATOM 1103 OE1 GLN A 71 7.452 -11.939 -5.284 1.00 73.11 O ATOM 1104 NE2 GLN A 71 5.291 -11.372 -5.213 1.00 31.21 N ATOM 0 H GLN A 71 5.017 -7.758 -3.052 1.00 74.53 H new ATOM 0 HA GLN A 71 7.284 -7.137 -4.523 1.00 21.31 H new ATOM 0 HB2 GLN A 71 4.939 -8.938 -4.927 1.00 72.34 H new ATOM 0 HB3 GLN A 71 5.995 -8.640 -6.294 1.00 72.34 H new ATOM 0 HG2 GLN A 71 7.935 -9.439 -5.026 1.00 43.14 H new ATOM 0 HG3 GLN A 71 6.956 -9.626 -3.585 1.00 43.14 H new ATOM 0 HE21 GLN A 71 4.595 -10.644 -5.050 1.00 31.21 H new ATOM 0 HE22 GLN A 71 4.994 -12.314 -5.466 1.00 31.21 H new ATOM 1113 N LEU A 72 4.457 -6.172 -5.995 1.00 51.10 N ATOM 1114 CA LEU A 72 3.959 -5.231 -6.985 1.00 34.40 C ATOM 1115 C LEU A 72 4.011 -3.800 -6.455 1.00 45.13 C ATOM 1116 O LEU A 72 4.094 -2.856 -7.232 1.00 52.04 O ATOM 1117 CB LEU A 72 2.553 -5.616 -7.475 1.00 33.52 C ATOM 1118 CG LEU A 72 1.469 -5.801 -6.410 1.00 43.54 C ATOM 1119 CD1 LEU A 72 0.900 -4.463 -5.959 1.00 44.45 C ATOM 1120 CD2 LEU A 72 0.364 -6.693 -6.949 1.00 72.22 C ATOM 0 H LEU A 72 3.747 -6.753 -5.550 1.00 51.10 H new ATOM 0 HA LEU A 72 4.617 -5.279 -7.853 1.00 34.40 H new ATOM 0 HB2 LEU A 72 2.216 -4.848 -8.171 1.00 33.52 H new ATOM 0 HB3 LEU A 72 2.634 -6.545 -8.040 1.00 33.52 H new ATOM 0 HG LEU A 72 1.922 -6.277 -5.540 1.00 43.54 H new ATOM 0 HD11 LEU A 72 0.133 -4.630 -5.203 1.00 44.45 H new ATOM 0 HD12 LEU A 72 1.698 -3.852 -5.538 1.00 44.45 H new ATOM 0 HD13 LEU A 72 0.461 -3.948 -6.813 1.00 44.45 H new ATOM 0 HD21 LEU A 72 -0.405 -6.821 -6.187 1.00 72.22 H new ATOM 0 HD22 LEU A 72 -0.076 -6.233 -7.834 1.00 72.22 H new ATOM 0 HD23 LEU A 72 0.778 -7.666 -7.214 1.00 72.22 H new ATOM 1132 N ARG A 73 3.997 -3.638 -5.135 1.00 42.23 N ATOM 1133 CA ARG A 73 4.099 -2.312 -4.543 1.00 12.34 C ATOM 1134 C ARG A 73 5.436 -1.683 -4.890 1.00 14.12 C ATOM 1135 O ARG A 73 5.496 -0.801 -5.730 1.00 22.01 O ATOM 1136 CB ARG A 73 3.916 -2.348 -3.020 1.00 72.12 C ATOM 1137 CG ARG A 73 3.964 -0.974 -2.368 1.00 20.21 C ATOM 1138 CD ARG A 73 3.479 -1.013 -0.923 1.00 54.21 C ATOM 1139 NE ARG A 73 4.345 -1.811 -0.052 1.00 53.42 N ATOM 1140 CZ ARG A 73 4.391 -1.687 1.278 1.00 1.53 C ATOM 1141 NH1 ARG A 73 3.647 -0.773 1.891 1.00 22.23 N ATOM 1142 NH2 ARG A 73 5.190 -2.477 1.989 1.00 64.43 N ATOM 0 H ARG A 73 3.917 -4.401 -4.463 1.00 42.23 H new ATOM 0 HA ARG A 73 3.294 -1.707 -4.959 1.00 12.34 H new ATOM 0 HB2 ARG A 73 2.960 -2.818 -2.788 1.00 72.12 H new ATOM 0 HB3 ARG A 73 4.693 -2.975 -2.584 1.00 72.12 H new ATOM 0 HG2 ARG A 73 4.985 -0.593 -2.398 1.00 20.21 H new ATOM 0 HG3 ARG A 73 3.348 -0.279 -2.939 1.00 20.21 H new ATOM 0 HD2 ARG A 73 3.422 0.005 -0.537 1.00 54.21 H new ATOM 0 HD3 ARG A 73 2.469 -1.421 -0.895 1.00 54.21 H new ATOM 0 HE ARG A 73 4.952 -2.505 -0.488 1.00 53.42 H new ATOM 0 HH11 ARG A 73 3.038 -0.163 1.346 1.00 22.23 H new ATOM 0 HH12 ARG A 73 3.685 -0.682 2.906 1.00 22.23 H new ATOM 0 HH21 ARG A 73 5.766 -3.176 1.519 1.00 64.43 H new ATOM 0 HH22 ARG A 73 5.227 -2.384 3.004 1.00 64.43 H new ATOM 1156 N THR A 74 6.508 -2.179 -4.287 1.00 23.21 N ATOM 1157 CA THR A 74 7.817 -1.557 -4.441 1.00 5.32 C ATOM 1158 C THR A 74 8.301 -1.635 -5.892 1.00 53.11 C ATOM 1159 O THR A 74 8.949 -0.716 -6.390 1.00 23.12 O ATOM 1160 CB THR A 74 8.864 -2.194 -3.490 1.00 32.21 C ATOM 1161 OG1 THR A 74 10.008 -1.345 -3.371 1.00 42.51 O ATOM 1162 CG2 THR A 74 9.308 -3.565 -3.980 1.00 61.02 C ATOM 0 H THR A 74 6.498 -3.006 -3.690 1.00 23.21 H new ATOM 0 HA THR A 74 7.707 -0.507 -4.171 1.00 5.32 H new ATOM 0 HB THR A 74 8.388 -2.313 -2.517 1.00 32.21 H new ATOM 0 HG1 THR A 74 9.835 -0.655 -2.697 1.00 42.51 H new ATOM 0 HG21 THR A 74 10.041 -3.979 -3.288 1.00 61.02 H new ATOM 0 HG22 THR A 74 8.445 -4.229 -4.034 1.00 61.02 H new ATOM 0 HG23 THR A 74 9.756 -3.470 -4.969 1.00 61.02 H new ATOM 1170 N GLU A 75 7.941 -2.714 -6.583 1.00 14.24 N ATOM 1171 CA GLU A 75 8.397 -2.932 -7.948 1.00 14.12 C ATOM 1172 C GLU A 75 7.790 -1.914 -8.907 1.00 51.53 C ATOM 1173 O GLU A 75 8.473 -1.403 -9.791 1.00 43.12 O ATOM 1174 CB GLU A 75 8.045 -4.348 -8.398 1.00 21.42 C ATOM 1175 CG GLU A 75 8.412 -4.652 -9.840 1.00 33.12 C ATOM 1176 CD GLU A 75 8.041 -6.061 -10.243 1.00 2.13 C ATOM 1177 OE1 GLU A 75 6.839 -6.333 -10.439 1.00 53.25 O ATOM 1178 OE2 GLU A 75 8.951 -6.906 -10.375 1.00 62.20 O ATOM 0 H GLU A 75 7.335 -3.449 -6.218 1.00 14.24 H new ATOM 0 HA GLU A 75 9.480 -2.806 -7.964 1.00 14.12 H new ATOM 0 HB2 GLU A 75 8.552 -5.061 -7.748 1.00 21.42 H new ATOM 0 HB3 GLU A 75 6.974 -4.503 -8.267 1.00 21.42 H new ATOM 0 HG2 GLU A 75 7.908 -3.944 -10.498 1.00 33.12 H new ATOM 0 HG3 GLU A 75 9.484 -4.508 -9.978 1.00 33.12 H new ATOM 1185 N LEU A 76 6.513 -1.616 -8.723 1.00 44.22 N ATOM 1186 CA LEU A 76 5.810 -0.721 -9.631 1.00 15.31 C ATOM 1187 C LEU A 76 5.842 0.715 -9.107 1.00 53.41 C ATOM 1188 O LEU A 76 5.766 1.672 -9.877 1.00 41.04 O ATOM 1189 CB LEU A 76 4.370 -1.200 -9.822 1.00 73.44 C ATOM 1190 CG LEU A 76 4.223 -2.697 -10.143 1.00 14.23 C ATOM 1191 CD1 LEU A 76 2.760 -3.085 -10.272 1.00 71.33 C ATOM 1192 CD2 LEU A 76 4.982 -3.065 -11.407 1.00 12.44 C ATOM 0 H LEU A 76 5.944 -1.978 -7.958 1.00 44.22 H new ATOM 0 HA LEU A 76 6.313 -0.734 -10.598 1.00 15.31 H new ATOM 0 HB2 LEU A 76 3.806 -0.981 -8.915 1.00 73.44 H new ATOM 0 HB3 LEU A 76 3.915 -0.624 -10.628 1.00 73.44 H new ATOM 0 HG LEU A 76 4.655 -3.255 -9.312 1.00 14.23 H new ATOM 0 HD11 LEU A 76 2.684 -4.148 -10.499 1.00 71.33 H new ATOM 0 HD12 LEU A 76 2.244 -2.877 -9.335 1.00 71.33 H new ATOM 0 HD13 LEU A 76 2.300 -2.509 -11.075 1.00 71.33 H new ATOM 0 HD21 LEU A 76 4.859 -4.129 -11.608 1.00 12.44 H new ATOM 0 HD22 LEU A 76 4.592 -2.490 -12.246 1.00 12.44 H new ATOM 0 HD23 LEU A 76 6.040 -2.840 -11.274 1.00 12.44 H new ATOM 1204 N LEU A 77 5.975 0.852 -7.794 1.00 51.32 N ATOM 1205 CA LEU A 77 6.079 2.158 -7.150 1.00 15.21 C ATOM 1206 C LEU A 77 7.330 2.882 -7.628 1.00 44.13 C ATOM 1207 O LEU A 77 7.279 4.050 -8.019 1.00 0.44 O ATOM 1208 CB LEU A 77 6.106 1.979 -5.625 1.00 41.24 C ATOM 1209 CG LEU A 77 6.037 3.250 -4.776 1.00 32.02 C ATOM 1210 CD1 LEU A 77 5.519 2.904 -3.392 1.00 55.44 C ATOM 1211 CD2 LEU A 77 7.406 3.910 -4.664 1.00 52.53 C ATOM 0 H LEU A 77 6.014 0.065 -7.146 1.00 51.32 H new ATOM 0 HA LEU A 77 5.212 2.762 -7.418 1.00 15.21 H new ATOM 0 HB2 LEU A 77 5.270 1.338 -5.344 1.00 41.24 H new ATOM 0 HB3 LEU A 77 7.019 1.445 -5.363 1.00 41.24 H new ATOM 0 HG LEU A 77 5.360 3.954 -5.260 1.00 32.02 H new ATOM 0 HD11 LEU A 77 5.469 3.808 -2.786 1.00 55.44 H new ATOM 0 HD12 LEU A 77 4.524 2.467 -3.475 1.00 55.44 H new ATOM 0 HD13 LEU A 77 6.192 2.188 -2.920 1.00 55.44 H new ATOM 0 HD21 LEU A 77 7.327 4.811 -4.055 1.00 52.53 H new ATOM 0 HD22 LEU A 77 8.107 3.217 -4.198 1.00 52.53 H new ATOM 0 HD23 LEU A 77 7.765 4.175 -5.659 1.00 52.53 H new ATOM 1223 N ARG A 78 8.443 2.164 -7.628 1.00 22.42 N ATOM 1224 CA ARG A 78 9.732 2.719 -8.033 1.00 73.43 C ATOM 1225 C ARG A 78 9.765 3.049 -9.532 1.00 13.53 C ATOM 1226 O ARG A 78 10.797 3.468 -10.061 1.00 64.31 O ATOM 1227 CB ARG A 78 10.845 1.725 -7.691 1.00 34.41 C ATOM 1228 CG ARG A 78 10.815 0.471 -8.551 1.00 13.23 C ATOM 1229 CD ARG A 78 11.760 -0.601 -8.035 1.00 41.33 C ATOM 1230 NE ARG A 78 13.147 -0.138 -7.986 1.00 11.11 N ATOM 1231 CZ ARG A 78 14.200 -0.946 -7.862 1.00 11.41 C ATOM 1232 NH1 ARG A 78 14.030 -2.263 -7.792 1.00 25.52 N ATOM 1233 NH2 ARG A 78 15.426 -0.438 -7.811 1.00 75.13 N ATOM 0 H ARG A 78 8.482 1.184 -7.349 1.00 22.42 H new ATOM 0 HA ARG A 78 9.885 3.651 -7.489 1.00 73.43 H new ATOM 0 HB2 ARG A 78 11.811 2.216 -7.810 1.00 34.41 H new ATOM 0 HB3 ARG A 78 10.759 1.440 -6.642 1.00 34.41 H new ATOM 0 HG2 ARG A 78 9.800 0.075 -8.578 1.00 13.23 H new ATOM 0 HG3 ARG A 78 11.085 0.728 -9.575 1.00 13.23 H new ATOM 0 HD2 ARG A 78 11.446 -0.910 -7.038 1.00 41.33 H new ATOM 0 HD3 ARG A 78 11.695 -1.480 -8.676 1.00 41.33 H new ATOM 0 HE ARG A 78 13.319 0.865 -8.051 1.00 11.11 H new ATOM 0 HH11 ARG A 78 13.091 -2.659 -7.833 1.00 25.52 H new ATOM 0 HH12 ARG A 78 14.839 -2.877 -7.697 1.00 25.52 H new ATOM 0 HH21 ARG A 78 15.563 0.571 -7.867 1.00 75.13 H new ATOM 0 HH22 ARG A 78 16.231 -1.057 -7.716 1.00 75.13 H new ATOM 1247 N ARG A 79 8.639 2.864 -10.211 1.00 35.25 N ATOM 1248 CA ARG A 79 8.558 3.106 -11.646 1.00 40.15 C ATOM 1249 C ARG A 79 7.932 4.464 -11.946 1.00 42.14 C ATOM 1250 O ARG A 79 8.059 4.982 -13.056 1.00 3.11 O ATOM 1251 CB ARG A 79 7.741 2.003 -12.329 1.00 73.54 C ATOM 1252 CG ARG A 79 8.262 0.600 -12.072 1.00 3.34 C ATOM 1253 CD ARG A 79 9.724 0.466 -12.464 1.00 74.31 C ATOM 1254 NE ARG A 79 9.952 0.884 -13.843 1.00 22.32 N ATOM 1255 CZ ARG A 79 11.113 1.324 -14.312 1.00 65.33 C ATOM 1256 NH1 ARG A 79 12.179 1.394 -13.524 1.00 71.40 N ATOM 1257 NH2 ARG A 79 11.207 1.706 -15.575 1.00 53.52 N ATOM 0 H ARG A 79 7.767 2.546 -9.789 1.00 35.25 H new ATOM 0 HA ARG A 79 9.575 3.100 -12.038 1.00 40.15 H new ATOM 0 HB2 ARG A 79 6.708 2.065 -11.986 1.00 73.54 H new ATOM 0 HB3 ARG A 79 7.731 2.185 -13.404 1.00 73.54 H new ATOM 0 HG2 ARG A 79 8.144 0.355 -11.017 1.00 3.34 H new ATOM 0 HG3 ARG A 79 7.666 -0.119 -12.635 1.00 3.34 H new ATOM 0 HD2 ARG A 79 10.337 1.069 -11.795 1.00 74.31 H new ATOM 0 HD3 ARG A 79 10.041 -0.570 -12.340 1.00 74.31 H new ATOM 0 HE ARG A 79 9.166 0.835 -14.491 1.00 22.32 H new ATOM 0 HH11 ARG A 79 12.111 1.108 -12.547 1.00 71.40 H new ATOM 0 HH12 ARG A 79 13.066 1.734 -13.895 1.00 71.40 H new ATOM 0 HH21 ARG A 79 10.390 1.662 -16.183 1.00 53.52 H new ATOM 0 HH22 ARG A 79 12.097 2.045 -15.940 1.00 53.52 H new ATOM 1271 N GLY A 80 7.263 5.046 -10.958 1.00 25.50 N ATOM 1272 CA GLY A 80 6.574 6.303 -11.179 1.00 53.11 C ATOM 1273 C GLY A 80 6.553 7.185 -9.946 1.00 3.22 C ATOM 1274 O GLY A 80 7.466 7.129 -9.122 1.00 53.41 O ATOM 0 H GLY A 80 7.185 4.672 -10.012 1.00 25.50 H new ATOM 0 HA2 GLY A 80 7.058 6.839 -11.996 1.00 53.11 H new ATOM 0 HA3 GLY A 80 5.550 6.101 -11.493 1.00 53.11 H new ATOM 1278 N ILE A 81 5.511 7.995 -9.817 1.00 74.32 N ATOM 1279 CA ILE A 81 5.383 8.897 -8.684 1.00 74.35 C ATOM 1280 C ILE A 81 4.270 8.417 -7.746 1.00 44.13 C ATOM 1281 O ILE A 81 3.137 8.901 -7.753 1.00 4.41 O ATOM 1282 CB ILE A 81 5.161 10.362 -9.144 1.00 35.10 C ATOM 1283 CG1 ILE A 81 4.958 11.294 -7.941 1.00 72.40 C ATOM 1284 CG2 ILE A 81 3.998 10.464 -10.120 1.00 30.32 C ATOM 1285 CD1 ILE A 81 6.180 11.411 -7.053 1.00 20.01 C ATOM 0 H ILE A 81 4.742 8.045 -10.485 1.00 74.32 H new ATOM 0 HA ILE A 81 6.320 8.884 -8.128 1.00 74.35 H new ATOM 0 HB ILE A 81 6.061 10.685 -9.668 1.00 35.10 H new ATOM 0 HG12 ILE A 81 4.685 12.286 -8.302 1.00 72.40 H new ATOM 0 HG13 ILE A 81 4.120 10.929 -7.346 1.00 72.40 H new ATOM 0 HG21 ILE A 81 3.868 11.503 -10.424 1.00 30.32 H new ATOM 0 HG22 ILE A 81 4.205 9.852 -10.998 1.00 30.32 H new ATOM 0 HG23 ILE A 81 3.087 10.110 -9.638 1.00 30.32 H new ATOM 0 HD11 ILE A 81 5.964 12.085 -6.224 1.00 20.01 H new ATOM 0 HD12 ILE A 81 6.442 10.428 -6.663 1.00 20.01 H new ATOM 0 HD13 ILE A 81 7.015 11.805 -7.633 1.00 20.01 H new ATOM 1297 N VAL A 82 4.610 7.422 -6.958 1.00 52.12 N ATOM 1298 CA VAL A 82 3.676 6.811 -6.034 1.00 2.42 C ATOM 1299 C VAL A 82 4.417 6.442 -4.757 1.00 21.52 C ATOM 1300 O VAL A 82 5.632 6.288 -4.783 1.00 65.01 O ATOM 1301 CB VAL A 82 2.999 5.568 -6.675 1.00 71.44 C ATOM 1302 CG1 VAL A 82 4.025 4.704 -7.385 1.00 71.34 C ATOM 1303 CG2 VAL A 82 2.224 4.741 -5.654 1.00 33.12 C ATOM 0 H VAL A 82 5.544 7.011 -6.938 1.00 52.12 H new ATOM 0 HA VAL A 82 2.883 7.519 -5.793 1.00 2.42 H new ATOM 0 HB VAL A 82 2.280 5.939 -7.406 1.00 71.44 H new ATOM 0 HG11 VAL A 82 3.530 3.839 -7.827 1.00 71.34 H new ATOM 0 HG12 VAL A 82 4.509 5.285 -8.170 1.00 71.34 H new ATOM 0 HG13 VAL A 82 4.774 4.366 -6.669 1.00 71.34 H new ATOM 0 HG21 VAL A 82 1.769 3.884 -6.150 1.00 33.12 H new ATOM 0 HG22 VAL A 82 2.904 4.392 -4.877 1.00 33.12 H new ATOM 0 HG23 VAL A 82 1.444 5.356 -5.204 1.00 33.12 H new ATOM 1313 N PHE A 83 3.707 6.366 -3.641 1.00 22.24 N ATOM 1314 CA PHE A 83 4.312 5.981 -2.374 1.00 70.41 C ATOM 1315 C PHE A 83 3.372 5.058 -1.601 1.00 5.11 C ATOM 1316 O PHE A 83 2.266 4.761 -2.057 1.00 33.11 O ATOM 1317 CB PHE A 83 4.633 7.220 -1.531 1.00 24.25 C ATOM 1318 CG PHE A 83 5.543 8.213 -2.203 1.00 33.41 C ATOM 1319 CD1 PHE A 83 6.917 8.030 -2.203 1.00 35.44 C ATOM 1320 CD2 PHE A 83 5.019 9.332 -2.833 1.00 24.55 C ATOM 1321 CE1 PHE A 83 7.750 8.945 -2.817 1.00 2.15 C ATOM 1322 CE2 PHE A 83 5.848 10.250 -3.446 1.00 71.04 C ATOM 1323 CZ PHE A 83 7.215 10.057 -3.439 1.00 50.32 C ATOM 0 H PHE A 83 2.708 6.566 -3.587 1.00 22.24 H new ATOM 0 HA PHE A 83 5.241 5.451 -2.584 1.00 70.41 H new ATOM 0 HB2 PHE A 83 3.699 7.719 -1.272 1.00 24.25 H new ATOM 0 HB3 PHE A 83 5.093 6.899 -0.597 1.00 24.25 H new ATOM 0 HD1 PHE A 83 7.341 7.163 -1.718 1.00 35.44 H new ATOM 0 HD2 PHE A 83 3.950 9.487 -2.844 1.00 24.55 H new ATOM 0 HE1 PHE A 83 8.819 8.791 -2.811 1.00 2.15 H new ATOM 0 HE2 PHE A 83 5.427 11.119 -3.931 1.00 71.04 H new ATOM 0 HZ PHE A 83 7.865 10.774 -3.919 1.00 50.32 H new ATOM 1333 N ALA A 84 3.811 4.603 -0.438 1.00 61.11 N ATOM 1334 CA ALA A 84 2.980 3.753 0.401 1.00 4.15 C ATOM 1335 C ALA A 84 3.471 3.765 1.839 1.00 43.13 C ATOM 1336 O ALA A 84 4.678 3.820 2.093 1.00 11.34 O ATOM 1337 CB ALA A 84 2.959 2.331 -0.134 1.00 10.31 C ATOM 0 H ALA A 84 4.734 4.807 -0.054 1.00 61.11 H new ATOM 0 HA ALA A 84 1.965 4.149 0.381 1.00 4.15 H new ATOM 0 HB1 ALA A 84 2.332 1.710 0.507 1.00 10.31 H new ATOM 0 HB2 ALA A 84 2.556 2.329 -1.147 1.00 10.31 H new ATOM 0 HB3 ALA A 84 3.973 1.932 -0.146 1.00 10.31 H new ATOM 1343 N MET A 85 2.535 3.715 2.779 1.00 61.43 N ATOM 1344 CA MET A 85 2.886 3.734 4.188 1.00 62.23 C ATOM 1345 C MET A 85 1.904 2.941 5.051 1.00 70.05 C ATOM 1346 O MET A 85 0.683 2.939 4.830 1.00 33.01 O ATOM 1347 CB MET A 85 2.975 5.170 4.705 1.00 34.34 C ATOM 1348 CG MET A 85 1.751 6.006 4.399 1.00 31.42 C ATOM 1349 SD MET A 85 1.302 7.078 5.775 1.00 73.50 S ATOM 1350 CE MET A 85 0.661 5.866 6.931 1.00 3.42 C ATOM 0 H MET A 85 1.534 3.661 2.590 1.00 61.43 H new ATOM 0 HA MET A 85 3.861 3.253 4.268 1.00 62.23 H new ATOM 0 HB2 MET A 85 3.129 5.149 5.784 1.00 34.34 H new ATOM 0 HB3 MET A 85 3.850 5.650 4.268 1.00 34.34 H new ATOM 0 HG2 MET A 85 1.939 6.613 3.513 1.00 31.42 H new ATOM 0 HG3 MET A 85 0.914 5.349 4.163 1.00 31.42 H new ATOM 0 HE1 MET A 85 -0.350 6.145 7.228 1.00 3.42 H new ATOM 0 HE2 MET A 85 0.642 4.885 6.456 1.00 3.42 H new ATOM 0 HE3 MET A 85 1.301 5.830 7.813 1.00 3.42 H new ATOM 1360 N ALA A 86 2.459 2.268 6.039 1.00 44.32 N ATOM 1361 CA ALA A 86 1.667 1.561 7.028 1.00 71.13 C ATOM 1362 C ALA A 86 1.880 2.187 8.399 1.00 50.45 C ATOM 1363 O ALA A 86 2.607 3.168 8.526 1.00 71.20 O ATOM 1364 CB ALA A 86 2.034 0.087 7.043 1.00 30.05 C ATOM 0 H ALA A 86 3.467 2.195 6.180 1.00 44.32 H new ATOM 0 HA ALA A 86 0.612 1.643 6.767 1.00 71.13 H new ATOM 0 HB1 ALA A 86 1.432 -0.430 7.790 1.00 30.05 H new ATOM 0 HB2 ALA A 86 1.844 -0.345 6.061 1.00 30.05 H new ATOM 0 HB3 ALA A 86 3.090 -0.023 7.289 1.00 30.05 H new ATOM 1370 N ARG A 87 1.235 1.638 9.412 1.00 20.54 N ATOM 1371 CA ARG A 87 1.398 2.123 10.772 1.00 25.12 C ATOM 1372 C ARG A 87 2.098 1.067 11.613 1.00 31.52 C ATOM 1373 O ARG A 87 2.204 1.197 12.833 1.00 61.40 O ATOM 1374 CB ARG A 87 0.042 2.490 11.387 1.00 41.40 C ATOM 1375 CG ARG A 87 -0.841 1.297 11.729 1.00 75.41 C ATOM 1376 CD ARG A 87 -2.135 1.741 12.390 1.00 42.25 C ATOM 1377 NE ARG A 87 -1.901 2.681 13.489 1.00 22.12 N ATOM 1378 CZ ARG A 87 -2.843 3.089 14.337 1.00 42.41 C ATOM 1379 NH1 ARG A 87 -4.068 2.575 14.282 1.00 72.33 N ATOM 1380 NH2 ARG A 87 -2.557 4.011 15.247 1.00 14.22 N ATOM 0 H ARG A 87 0.591 0.853 9.319 1.00 20.54 H new ATOM 0 HA ARG A 87 2.011 3.024 10.751 1.00 25.12 H new ATOM 0 HB2 ARG A 87 0.214 3.070 12.294 1.00 41.40 H new ATOM 0 HB3 ARG A 87 -0.495 3.136 10.692 1.00 41.40 H new ATOM 0 HG2 ARG A 87 -1.067 0.737 10.822 1.00 75.41 H new ATOM 0 HG3 ARG A 87 -0.303 0.622 12.395 1.00 75.41 H new ATOM 0 HD2 ARG A 87 -2.780 2.208 11.645 1.00 42.25 H new ATOM 0 HD3 ARG A 87 -2.666 0.868 12.768 1.00 42.25 H new ATOM 0 HE ARG A 87 -0.957 3.046 13.612 1.00 22.12 H new ATOM 0 HH11 ARG A 87 -4.292 1.863 13.587 1.00 72.33 H new ATOM 0 HH12 ARG A 87 -4.784 2.893 14.935 1.00 72.33 H new ATOM 0 HH21 ARG A 87 -1.618 4.405 15.296 1.00 14.22 H new ATOM 0 HH22 ARG A 87 -3.277 4.326 15.898 1.00 14.22 H new ATOM 1394 N VAL A 88 2.572 0.028 10.929 1.00 11.34 N ATOM 1395 CA VAL A 88 3.311 -1.065 11.551 1.00 4.24 C ATOM 1396 C VAL A 88 2.395 -1.968 12.380 1.00 53.44 C ATOM 1397 O VAL A 88 2.214 -1.769 13.583 1.00 35.24 O ATOM 1398 CB VAL A 88 4.488 -0.554 12.421 1.00 61.54 C ATOM 1399 CG1 VAL A 88 5.237 -1.710 13.064 1.00 20.01 C ATOM 1400 CG2 VAL A 88 5.441 0.294 11.590 1.00 43.04 C ATOM 0 H VAL A 88 2.453 -0.079 9.922 1.00 11.34 H new ATOM 0 HA VAL A 88 3.728 -1.655 10.735 1.00 4.24 H new ATOM 0 HB VAL A 88 4.071 0.065 13.215 1.00 61.54 H new ATOM 0 HG11 VAL A 88 6.057 -1.321 13.668 1.00 20.01 H new ATOM 0 HG12 VAL A 88 4.556 -2.277 13.699 1.00 20.01 H new ATOM 0 HG13 VAL A 88 5.636 -2.362 12.287 1.00 20.01 H new ATOM 0 HG21 VAL A 88 6.260 0.643 12.219 1.00 43.04 H new ATOM 0 HG22 VAL A 88 5.841 -0.305 10.772 1.00 43.04 H new ATOM 0 HG23 VAL A 88 4.905 1.152 11.184 1.00 43.04 H new ATOM 1410 N LYS A 89 1.788 -2.935 11.709 1.00 63.41 N ATOM 1411 CA LYS A 89 1.012 -3.976 12.380 1.00 12.54 C ATOM 1412 C LYS A 89 1.749 -5.308 12.295 1.00 31.41 C ATOM 1413 O LYS A 89 1.420 -6.269 12.991 1.00 65.14 O ATOM 1414 CB LYS A 89 -0.399 -4.077 11.776 1.00 71.50 C ATOM 1415 CG LYS A 89 -0.462 -4.131 10.249 1.00 54.32 C ATOM 1416 CD LYS A 89 -0.135 -5.511 9.692 1.00 73.53 C ATOM 1417 CE LYS A 89 -0.329 -5.560 8.184 1.00 74.41 C ATOM 1418 NZ LYS A 89 -0.038 -6.909 7.619 1.00 13.30 N ATOM 0 H LYS A 89 1.816 -3.024 10.693 1.00 63.41 H new ATOM 0 HA LYS A 89 0.900 -3.713 13.432 1.00 12.54 H new ATOM 0 HB2 LYS A 89 -0.882 -4.970 12.173 1.00 71.50 H new ATOM 0 HB3 LYS A 89 -0.982 -3.221 12.116 1.00 71.50 H new ATOM 0 HG2 LYS A 89 -1.460 -3.839 9.921 1.00 54.32 H new ATOM 0 HG3 LYS A 89 0.236 -3.403 9.835 1.00 54.32 H new ATOM 0 HD2 LYS A 89 0.895 -5.769 9.937 1.00 73.53 H new ATOM 0 HD3 LYS A 89 -0.772 -6.257 10.167 1.00 73.53 H new ATOM 0 HE2 LYS A 89 -1.355 -5.281 7.943 1.00 74.41 H new ATOM 0 HE3 LYS A 89 0.321 -4.823 7.712 1.00 74.41 H new ATOM 0 HZ1 LYS A 89 -0.167 -6.889 6.587 1.00 13.30 H new ATOM 0 HZ2 LYS A 89 0.943 -7.173 7.840 1.00 13.30 H new ATOM 0 HZ3 LYS A 89 -0.687 -7.607 8.036 1.00 13.30 H new ATOM 1432 N GLN A 90 2.772 -5.314 11.446 1.00 64.33 N ATOM 1433 CA GLN A 90 3.589 -6.493 11.159 1.00 13.03 C ATOM 1434 C GLN A 90 4.473 -6.172 9.965 1.00 71.52 C ATOM 1435 O GLN A 90 5.504 -6.808 9.737 1.00 55.53 O ATOM 1436 CB GLN A 90 2.719 -7.706 10.815 1.00 31.34 C ATOM 1437 CG GLN A 90 3.491 -9.017 10.740 1.00 4.14 C ATOM 1438 CD GLN A 90 2.702 -10.126 10.071 1.00 33.01 C ATOM 1439 OE1 GLN A 90 2.808 -11.289 10.448 1.00 41.42 O ATOM 1440 NE2 GLN A 90 1.962 -9.789 9.028 1.00 71.10 N ATOM 0 H GLN A 90 3.063 -4.485 10.928 1.00 64.33 H new ATOM 0 HA GLN A 90 4.180 -6.737 12.042 1.00 13.03 H new ATOM 0 HB2 GLN A 90 1.933 -7.801 11.564 1.00 31.34 H new ATOM 0 HB3 GLN A 90 2.228 -7.529 9.858 1.00 31.34 H new ATOM 0 HG2 GLN A 90 4.419 -8.856 10.192 1.00 4.14 H new ATOM 0 HG3 GLN A 90 3.766 -9.330 11.747 1.00 4.14 H new ATOM 0 HE21 GLN A 90 1.897 -8.812 8.743 1.00 71.10 H new ATOM 0 HE22 GLN A 90 1.456 -10.506 8.508 1.00 71.10 H new ATOM 1449 N ASP A 91 4.038 -5.144 9.236 1.00 43.34 N ATOM 1450 CA ASP A 91 4.627 -4.716 7.970 1.00 12.43 C ATOM 1451 C ASP A 91 6.143 -4.660 8.017 1.00 32.33 C ATOM 1452 O ASP A 91 6.803 -5.109 7.091 1.00 12.43 O ATOM 1453 CB ASP A 91 4.090 -3.338 7.597 1.00 21.52 C ATOM 1454 CG ASP A 91 2.609 -3.207 7.859 1.00 22.41 C ATOM 1455 OD1 ASP A 91 2.238 -2.993 9.037 1.00 34.14 O ATOM 1456 OD2 ASP A 91 1.816 -3.317 6.902 1.00 40.45 O ATOM 0 H ASP A 91 3.243 -4.571 9.519 1.00 43.34 H new ATOM 0 HA ASP A 91 4.348 -5.458 7.221 1.00 12.43 H new ATOM 0 HB2 ASP A 91 4.625 -2.577 8.164 1.00 21.52 H new ATOM 0 HB3 ASP A 91 4.288 -3.147 6.542 1.00 21.52 H new ATOM 1461 N LEU A 92 6.693 -4.112 9.093 1.00 30.23 N ATOM 1462 CA LEU A 92 8.137 -3.961 9.200 1.00 40.41 C ATOM 1463 C LEU A 92 8.832 -5.312 9.028 1.00 14.34 C ATOM 1464 O LEU A 92 9.743 -5.451 8.223 1.00 42.31 O ATOM 1465 CB LEU A 92 8.542 -3.297 10.531 1.00 61.54 C ATOM 1466 CG LEU A 92 8.437 -4.156 11.801 1.00 70.34 C ATOM 1467 CD1 LEU A 92 9.065 -3.426 12.974 1.00 53.44 C ATOM 1468 CD2 LEU A 92 6.992 -4.504 12.124 1.00 71.33 C ATOM 0 H LEU A 92 6.167 -3.768 9.896 1.00 30.23 H new ATOM 0 HA LEU A 92 8.463 -3.301 8.396 1.00 40.41 H new ATOM 0 HB2 LEU A 92 9.573 -2.954 10.438 1.00 61.54 H new ATOM 0 HB3 LEU A 92 7.923 -2.411 10.670 1.00 61.54 H new ATOM 0 HG LEU A 92 8.974 -5.087 11.619 1.00 70.34 H new ATOM 0 HD11 LEU A 92 8.986 -4.042 13.870 1.00 53.44 H new ATOM 0 HD12 LEU A 92 10.116 -3.229 12.760 1.00 53.44 H new ATOM 0 HD13 LEU A 92 8.545 -2.482 13.136 1.00 53.44 H new ATOM 0 HD21 LEU A 92 6.958 -5.112 13.028 1.00 71.33 H new ATOM 0 HD22 LEU A 92 6.423 -3.587 12.281 1.00 71.33 H new ATOM 0 HD23 LEU A 92 6.558 -5.062 11.295 1.00 71.33 H new ATOM 1480 N ARG A 93 8.355 -6.321 9.740 1.00 74.42 N ATOM 1481 CA ARG A 93 8.976 -7.631 9.699 1.00 30.14 C ATOM 1482 C ARG A 93 8.721 -8.288 8.347 1.00 54.12 C ATOM 1483 O ARG A 93 9.651 -8.726 7.677 1.00 61.15 O ATOM 1484 CB ARG A 93 8.432 -8.521 10.826 1.00 74.14 C ATOM 1485 CG ARG A 93 8.474 -7.865 12.201 1.00 32.44 C ATOM 1486 CD ARG A 93 9.895 -7.561 12.652 1.00 65.14 C ATOM 1487 NE ARG A 93 10.623 -8.766 13.041 1.00 42.30 N ATOM 1488 CZ ARG A 93 11.717 -8.761 13.805 1.00 13.42 C ATOM 1489 NH1 ARG A 93 12.234 -7.611 14.228 1.00 1.25 N ATOM 1490 NH2 ARG A 93 12.295 -9.907 14.142 1.00 31.21 N ATOM 0 H ARG A 93 7.541 -6.256 10.351 1.00 74.42 H new ATOM 0 HA ARG A 93 10.050 -7.510 9.840 1.00 30.14 H new ATOM 0 HB2 ARG A 93 7.402 -8.795 10.595 1.00 74.14 H new ATOM 0 HB3 ARG A 93 9.008 -9.446 10.857 1.00 74.14 H new ATOM 0 HG2 ARG A 93 7.897 -6.941 12.178 1.00 32.44 H new ATOM 0 HG3 ARG A 93 7.997 -8.521 12.929 1.00 32.44 H new ATOM 0 HD2 ARG A 93 10.430 -7.060 11.845 1.00 65.14 H new ATOM 0 HD3 ARG A 93 9.866 -6.869 13.494 1.00 65.14 H new ATOM 0 HE ARG A 93 10.274 -9.665 12.709 1.00 42.30 H new ATOM 0 HH11 ARG A 93 11.794 -6.728 13.969 1.00 1.25 H new ATOM 0 HH12 ARG A 93 13.070 -7.612 14.812 1.00 1.25 H new ATOM 0 HH21 ARG A 93 11.903 -10.791 13.817 1.00 31.21 H new ATOM 0 HH22 ARG A 93 13.131 -9.904 14.726 1.00 31.21 H new ATOM 1504 N GLU A 94 7.460 -8.310 7.936 1.00 70.22 N ATOM 1505 CA GLU A 94 7.061 -9.007 6.718 1.00 55.53 C ATOM 1506 C GLU A 94 7.637 -8.336 5.463 1.00 12.34 C ATOM 1507 O GLU A 94 8.340 -8.977 4.674 1.00 41.41 O ATOM 1508 CB GLU A 94 5.529 -9.103 6.637 1.00 52.34 C ATOM 1509 CG GLU A 94 4.810 -7.763 6.708 1.00 64.44 C ATOM 1510 CD GLU A 94 3.309 -7.887 6.532 1.00 74.33 C ATOM 1511 OE1 GLU A 94 2.871 -8.235 5.420 1.00 70.21 O ATOM 1512 OE2 GLU A 94 2.563 -7.635 7.509 1.00 24.31 O ATOM 0 H GLU A 94 6.693 -7.852 8.429 1.00 70.22 H new ATOM 0 HA GLU A 94 7.473 -10.015 6.760 1.00 55.53 H new ATOM 0 HB2 GLU A 94 5.257 -9.598 5.705 1.00 52.34 H new ATOM 0 HB3 GLU A 94 5.173 -9.736 7.450 1.00 52.34 H new ATOM 0 HG2 GLU A 94 5.020 -7.294 7.669 1.00 64.44 H new ATOM 0 HG3 GLU A 94 5.207 -7.102 5.938 1.00 64.44 H new ATOM 1519 N SER A 95 7.369 -7.042 5.302 1.00 2.04 N ATOM 1520 CA SER A 95 7.760 -6.312 4.103 1.00 13.41 C ATOM 1521 C SER A 95 9.277 -6.272 3.966 1.00 42.51 C ATOM 1522 O SER A 95 9.807 -6.399 2.864 1.00 71.01 O ATOM 1523 CB SER A 95 7.185 -4.889 4.135 1.00 71.50 C ATOM 1524 OG SER A 95 7.453 -4.177 2.935 1.00 45.22 O ATOM 0 H SER A 95 6.879 -6.476 5.994 1.00 2.04 H new ATOM 0 HA SER A 95 7.354 -6.832 3.236 1.00 13.41 H new ATOM 0 HB2 SER A 95 6.108 -4.937 4.294 1.00 71.50 H new ATOM 0 HB3 SER A 95 7.608 -4.346 4.980 1.00 71.50 H new ATOM 0 HG SER A 95 7.666 -4.811 2.219 1.00 45.22 H new ATOM 1530 N LEU A 96 9.976 -6.124 5.087 1.00 32.42 N ATOM 1531 CA LEU A 96 11.429 -6.056 5.057 1.00 0.45 C ATOM 1532 C LEU A 96 12.048 -7.406 4.717 1.00 45.22 C ATOM 1533 O LEU A 96 13.104 -7.459 4.087 1.00 40.42 O ATOM 1534 CB LEU A 96 11.972 -5.546 6.385 1.00 61.22 C ATOM 1535 CG LEU A 96 12.192 -4.026 6.466 1.00 53.31 C ATOM 1536 CD1 LEU A 96 13.224 -3.584 5.440 1.00 40.32 C ATOM 1537 CD2 LEU A 96 10.886 -3.267 6.258 1.00 73.31 C ATOM 0 H LEU A 96 9.564 -6.050 6.017 1.00 32.42 H new ATOM 0 HA LEU A 96 11.706 -5.354 4.271 1.00 0.45 H new ATOM 0 HB2 LEU A 96 11.283 -5.839 7.177 1.00 61.22 H new ATOM 0 HB3 LEU A 96 12.920 -6.045 6.586 1.00 61.22 H new ATOM 0 HG LEU A 96 12.563 -3.795 7.464 1.00 53.31 H new ATOM 0 HD11 LEU A 96 13.368 -2.506 5.510 1.00 40.32 H new ATOM 0 HD12 LEU A 96 14.170 -4.090 5.634 1.00 40.32 H new ATOM 0 HD13 LEU A 96 12.875 -3.839 4.439 1.00 40.32 H new ATOM 0 HD21 LEU A 96 11.074 -2.195 6.321 1.00 73.31 H new ATOM 0 HD22 LEU A 96 10.478 -3.507 5.276 1.00 73.31 H new ATOM 0 HD23 LEU A 96 10.171 -3.556 7.028 1.00 73.31 H new ATOM 1549 N ARG A 97 11.405 -8.495 5.132 1.00 61.25 N ATOM 1550 CA ARG A 97 11.897 -9.828 4.791 1.00 43.15 C ATOM 1551 C ARG A 97 11.759 -10.081 3.295 1.00 61.34 C ATOM 1552 O ARG A 97 12.575 -10.782 2.697 1.00 5.12 O ATOM 1553 CB ARG A 97 11.166 -10.927 5.572 1.00 54.43 C ATOM 1554 CG ARG A 97 11.491 -10.961 7.059 1.00 31.32 C ATOM 1555 CD ARG A 97 12.991 -11.023 7.318 1.00 2.31 C ATOM 1556 NE ARG A 97 13.629 -12.144 6.630 1.00 0.50 N ATOM 1557 CZ ARG A 97 14.311 -13.110 7.240 1.00 5.51 C ATOM 1558 NH1 ARG A 97 14.423 -13.130 8.564 1.00 64.21 N ATOM 1559 NH2 ARG A 97 14.885 -14.058 6.512 1.00 15.22 N ATOM 0 H ARG A 97 10.555 -8.483 5.696 1.00 61.25 H new ATOM 0 HA ARG A 97 12.950 -9.862 5.070 1.00 43.15 H new ATOM 0 HB2 ARG A 97 10.092 -10.790 5.450 1.00 54.43 H new ATOM 0 HB3 ARG A 97 11.416 -11.894 5.135 1.00 54.43 H new ATOM 0 HG2 ARG A 97 11.077 -10.075 7.540 1.00 31.32 H new ATOM 0 HG3 ARG A 97 11.009 -11.826 7.515 1.00 31.32 H new ATOM 0 HD2 ARG A 97 13.452 -10.090 6.993 1.00 2.31 H new ATOM 0 HD3 ARG A 97 13.169 -11.109 8.390 1.00 2.31 H new ATOM 0 HE ARG A 97 13.546 -12.189 5.614 1.00 0.50 H new ATOM 0 HH11 ARG A 97 13.984 -12.400 9.124 1.00 64.21 H new ATOM 0 HH12 ARG A 97 14.948 -13.876 9.020 1.00 64.21 H new ATOM 0 HH21 ARG A 97 14.801 -14.042 5.496 1.00 15.22 H new ATOM 0 HH22 ARG A 97 15.410 -14.804 6.968 1.00 15.22 H new ATOM 1573 N ALA A 98 10.725 -9.510 2.695 1.00 41.33 N ATOM 1574 CA ALA A 98 10.530 -9.621 1.259 1.00 54.01 C ATOM 1575 C ALA A 98 11.451 -8.664 0.511 1.00 20.12 C ATOM 1576 O ALA A 98 12.350 -9.088 -0.215 1.00 71.51 O ATOM 1577 CB ALA A 98 9.082 -9.346 0.899 1.00 55.23 C ATOM 0 H ALA A 98 10.010 -8.967 3.180 1.00 41.33 H new ATOM 0 HA ALA A 98 10.778 -10.639 0.960 1.00 54.01 H new ATOM 0 HB1 ALA A 98 8.952 -9.433 -0.180 1.00 55.23 H new ATOM 0 HB2 ALA A 98 8.439 -10.069 1.401 1.00 55.23 H new ATOM 0 HB3 ALA A 98 8.813 -8.339 1.217 1.00 55.23 H new ATOM 1583 N ALA A 99 11.237 -7.373 0.712 1.00 34.22 N ATOM 1584 CA ALA A 99 12.006 -6.358 0.019 1.00 23.22 C ATOM 1585 C ALA A 99 13.047 -5.737 0.944 1.00 0.44 C ATOM 1586 O ALA A 99 12.817 -4.692 1.553 1.00 31.35 O ATOM 1587 CB ALA A 99 11.086 -5.286 -0.546 1.00 15.43 C ATOM 0 H ALA A 99 10.534 -7.005 1.353 1.00 34.22 H new ATOM 0 HA ALA A 99 12.531 -6.836 -0.808 1.00 23.22 H new ATOM 0 HB1 ALA A 99 11.680 -4.532 -1.063 1.00 15.43 H new ATOM 0 HB2 ALA A 99 10.386 -5.740 -1.247 1.00 15.43 H new ATOM 0 HB3 ALA A 99 10.532 -4.817 0.267 1.00 15.43 H new ATOM 1593 N SER A 100 14.199 -6.385 1.042 1.00 3.30 N ATOM 1594 CA SER A 100 15.267 -5.911 1.911 1.00 63.23 C ATOM 1595 C SER A 100 16.116 -4.858 1.202 1.00 41.24 C ATOM 1596 O SER A 100 17.042 -4.294 1.784 1.00 1.02 O ATOM 1597 CB SER A 100 16.140 -7.087 2.356 1.00 1.53 C ATOM 1598 OG SER A 100 15.348 -8.125 2.906 1.00 52.14 O ATOM 0 H SER A 100 14.418 -7.240 0.531 1.00 3.30 H new ATOM 0 HA SER A 100 14.818 -5.449 2.791 1.00 63.23 H new ATOM 0 HB2 SER A 100 16.706 -7.467 1.505 1.00 1.53 H new ATOM 0 HB3 SER A 100 16.866 -6.747 3.095 1.00 1.53 H new ATOM 0 HG SER A 100 14.692 -7.743 3.526 1.00 52.14 H new ATOM 1604 N LEU A 101 15.781 -4.576 -0.056 1.00 73.50 N ATOM 1605 CA LEU A 101 16.479 -3.545 -0.819 1.00 53.53 C ATOM 1606 C LEU A 101 16.011 -2.154 -0.391 1.00 42.31 C ATOM 1607 O LEU A 101 16.355 -1.150 -1.017 1.00 53.11 O ATOM 1608 CB LEU A 101 16.281 -3.730 -2.332 1.00 24.25 C ATOM 1609 CG LEU A 101 14.912 -3.321 -2.900 1.00 21.33 C ATOM 1610 CD1 LEU A 101 14.988 -3.186 -4.413 1.00 71.42 C ATOM 1611 CD2 LEU A 101 13.840 -4.331 -2.527 1.00 51.11 C ATOM 0 H LEU A 101 15.033 -5.046 -0.566 1.00 73.50 H new ATOM 0 HA LEU A 101 17.544 -3.642 -0.607 1.00 53.53 H new ATOM 0 HB2 LEU A 101 17.050 -3.156 -2.849 1.00 24.25 H new ATOM 0 HB3 LEU A 101 16.450 -4.780 -2.572 1.00 24.25 H new ATOM 0 HG LEU A 101 14.643 -2.358 -2.466 1.00 21.33 H new ATOM 0 HD11 LEU A 101 14.012 -2.896 -4.802 1.00 71.42 H new ATOM 0 HD12 LEU A 101 15.723 -2.425 -4.674 1.00 71.42 H new ATOM 0 HD13 LEU A 101 15.283 -4.140 -4.849 1.00 71.42 H new ATOM 0 HD21 LEU A 101 12.883 -4.016 -2.942 1.00 51.11 H new ATOM 0 HD22 LEU A 101 14.106 -5.309 -2.929 1.00 51.11 H new ATOM 0 HD23 LEU A 101 13.762 -4.394 -1.442 1.00 51.11 H new ATOM 1623 N LEU A 102 15.240 -2.105 0.696 1.00 3.12 N ATOM 1624 CA LEU A 102 14.758 -0.849 1.261 1.00 72.20 C ATOM 1625 C LEU A 102 15.931 0.063 1.613 1.00 11.13 C ATOM 1626 O LEU A 102 15.802 1.287 1.627 1.00 22.20 O ATOM 1627 CB LEU A 102 13.915 -1.125 2.507 1.00 35.54 C ATOM 1628 CG LEU A 102 13.240 0.100 3.126 1.00 72.31 C ATOM 1629 CD1 LEU A 102 12.289 0.739 2.128 1.00 1.24 C ATOM 1630 CD2 LEU A 102 12.496 -0.290 4.394 1.00 25.32 C ATOM 0 H LEU A 102 14.934 -2.933 1.207 1.00 3.12 H new ATOM 0 HA LEU A 102 14.139 -0.347 0.517 1.00 72.20 H new ATOM 0 HB2 LEU A 102 13.145 -1.852 2.250 1.00 35.54 H new ATOM 0 HB3 LEU A 102 14.552 -1.588 3.261 1.00 35.54 H new ATOM 0 HG LEU A 102 14.009 0.827 3.386 1.00 72.31 H new ATOM 0 HD11 LEU A 102 11.816 1.610 2.582 1.00 1.24 H new ATOM 0 HD12 LEU A 102 12.845 1.049 1.243 1.00 1.24 H new ATOM 0 HD13 LEU A 102 11.523 0.018 1.842 1.00 1.24 H new ATOM 0 HD21 LEU A 102 12.021 0.592 4.823 1.00 25.32 H new ATOM 0 HD22 LEU A 102 11.734 -1.032 4.155 1.00 25.32 H new ATOM 0 HD23 LEU A 102 13.199 -0.710 5.114 1.00 25.32 H new ATOM 1642 N ASP A 103 17.073 -0.559 1.881 1.00 43.43 N ATOM 1643 CA ASP A 103 18.322 0.148 2.160 1.00 4.10 C ATOM 1644 C ASP A 103 18.648 1.195 1.089 1.00 51.43 C ATOM 1645 O ASP A 103 19.124 2.284 1.403 1.00 71.12 O ATOM 1646 CB ASP A 103 19.458 -0.880 2.263 1.00 51.43 C ATOM 1647 CG ASP A 103 20.806 -0.336 1.829 1.00 64.30 C ATOM 1648 OD1 ASP A 103 21.531 0.231 2.673 1.00 52.33 O ATOM 1649 OD2 ASP A 103 21.152 -0.492 0.640 1.00 22.21 O ATOM 0 H ASP A 103 17.161 -1.575 1.912 1.00 43.43 H new ATOM 0 HA ASP A 103 18.210 0.686 3.101 1.00 4.10 H new ATOM 0 HB2 ASP A 103 19.530 -1.228 3.293 1.00 51.43 H new ATOM 0 HB3 ASP A 103 19.210 -1.747 1.650 1.00 51.43 H new ATOM 1654 N LYS A 104 18.363 0.876 -0.166 1.00 1.12 N ATOM 1655 CA LYS A 104 18.765 1.739 -1.270 1.00 53.33 C ATOM 1656 C LYS A 104 17.583 2.525 -1.835 1.00 43.14 C ATOM 1657 O LYS A 104 17.750 3.654 -2.293 1.00 22.02 O ATOM 1658 CB LYS A 104 19.439 0.906 -2.362 1.00 54.43 C ATOM 1659 CG LYS A 104 18.540 -0.160 -2.956 1.00 54.05 C ATOM 1660 CD LYS A 104 19.330 -1.353 -3.466 1.00 25.34 C ATOM 1661 CE LYS A 104 19.894 -2.197 -2.326 1.00 64.24 C ATOM 1662 NZ LYS A 104 21.129 -1.616 -1.731 1.00 33.43 N ATOM 0 H LYS A 104 17.859 0.034 -0.445 1.00 1.12 H new ATOM 0 HA LYS A 104 19.479 2.468 -0.887 1.00 53.33 H new ATOM 0 HB2 LYS A 104 19.775 1.570 -3.158 1.00 54.43 H new ATOM 0 HB3 LYS A 104 20.328 0.430 -1.947 1.00 54.43 H new ATOM 0 HG2 LYS A 104 17.827 -0.493 -2.202 1.00 54.05 H new ATOM 0 HG3 LYS A 104 17.962 0.269 -3.775 1.00 54.05 H new ATOM 0 HD2 LYS A 104 18.687 -1.972 -4.092 1.00 25.34 H new ATOM 0 HD3 LYS A 104 20.147 -1.003 -4.097 1.00 25.34 H new ATOM 0 HE2 LYS A 104 19.137 -2.301 -1.549 1.00 64.24 H new ATOM 0 HE3 LYS A 104 20.112 -3.199 -2.696 1.00 64.24 H new ATOM 0 HZ1 LYS A 104 21.770 -2.383 -1.445 1.00 33.43 H new ATOM 0 HZ2 LYS A 104 21.602 -1.013 -2.434 1.00 33.43 H new ATOM 0 HZ3 LYS A 104 20.878 -1.046 -0.898 1.00 33.43 H new ATOM 1676 N ILE A 105 16.389 1.941 -1.796 1.00 62.33 N ATOM 1677 CA ILE A 105 15.201 2.628 -2.303 1.00 53.02 C ATOM 1678 C ILE A 105 14.707 3.662 -1.298 1.00 31.55 C ATOM 1679 O ILE A 105 14.008 4.610 -1.656 1.00 15.31 O ATOM 1680 CB ILE A 105 14.062 1.641 -2.649 1.00 73.34 C ATOM 1681 CG1 ILE A 105 13.781 0.712 -1.472 1.00 42.53 C ATOM 1682 CG2 ILE A 105 14.419 0.837 -3.891 1.00 75.30 C ATOM 1683 CD1 ILE A 105 12.726 -0.338 -1.754 1.00 60.01 C ATOM 0 H ILE A 105 16.217 1.007 -1.424 1.00 62.33 H new ATOM 0 HA ILE A 105 15.494 3.133 -3.223 1.00 53.02 H new ATOM 0 HB ILE A 105 13.158 2.214 -2.855 1.00 73.34 H new ATOM 0 HG12 ILE A 105 14.707 0.214 -1.186 1.00 42.53 H new ATOM 0 HG13 ILE A 105 13.464 1.310 -0.618 1.00 42.53 H new ATOM 0 HG21 ILE A 105 13.608 0.146 -4.123 1.00 75.30 H new ATOM 0 HG22 ILE A 105 14.570 1.514 -4.732 1.00 75.30 H new ATOM 0 HG23 ILE A 105 15.334 0.274 -3.709 1.00 75.30 H new ATOM 0 HD11 ILE A 105 12.584 -0.958 -0.869 1.00 60.01 H new ATOM 0 HD12 ILE A 105 11.786 0.150 -2.010 1.00 60.01 H new ATOM 0 HD13 ILE A 105 13.048 -0.963 -2.587 1.00 60.01 H new ATOM 1695 N GLY A 106 15.082 3.472 -0.038 1.00 15.00 N ATOM 1696 CA GLY A 106 14.804 4.459 0.988 1.00 52.33 C ATOM 1697 C GLY A 106 13.327 4.671 1.254 1.00 34.24 C ATOM 1698 O GLY A 106 12.652 3.793 1.788 1.00 21.32 O ATOM 0 H GLY A 106 15.578 2.644 0.293 1.00 15.00 H new ATOM 0 HA2 GLY A 106 15.289 4.152 1.914 1.00 52.33 H new ATOM 0 HA3 GLY A 106 15.250 5.409 0.694 1.00 52.33 H new ATOM 1702 N GLU A 107 12.822 5.833 0.861 1.00 3.02 N ATOM 1703 CA GLU A 107 11.452 6.233 1.175 1.00 13.44 C ATOM 1704 C GLU A 107 10.460 5.715 0.136 1.00 54.44 C ATOM 1705 O GLU A 107 9.442 6.349 -0.136 1.00 23.12 O ATOM 1706 CB GLU A 107 11.375 7.755 1.284 1.00 30.44 C ATOM 1707 CG GLU A 107 12.233 8.319 2.407 1.00 75.00 C ATOM 1708 CD GLU A 107 12.227 9.829 2.448 1.00 64.31 C ATOM 1709 OE1 GLU A 107 11.288 10.408 3.033 1.00 0.21 O ATOM 1710 OE2 GLU A 107 13.170 10.443 1.904 1.00 51.33 O ATOM 0 H GLU A 107 13.344 6.522 0.319 1.00 3.02 H new ATOM 0 HA GLU A 107 11.176 5.788 2.131 1.00 13.44 H new ATOM 0 HB2 GLU A 107 11.689 8.197 0.338 1.00 30.44 H new ATOM 0 HB3 GLU A 107 10.338 8.049 1.445 1.00 30.44 H new ATOM 0 HG2 GLU A 107 11.874 7.933 3.361 1.00 75.00 H new ATOM 0 HG3 GLU A 107 13.258 7.968 2.286 1.00 75.00 H new ATOM 1717 N ASP A 108 10.764 4.550 -0.419 1.00 21.33 N ATOM 1718 CA ASP A 108 9.884 3.881 -1.374 1.00 33.32 C ATOM 1719 C ASP A 108 8.597 3.431 -0.684 1.00 13.32 C ATOM 1720 O ASP A 108 7.498 3.874 -1.023 1.00 30.51 O ATOM 1721 CB ASP A 108 10.620 2.675 -1.971 1.00 42.01 C ATOM 1722 CG ASP A 108 9.766 1.834 -2.903 1.00 35.45 C ATOM 1723 OD1 ASP A 108 9.050 0.935 -2.410 1.00 32.22 O ATOM 1724 OD2 ASP A 108 9.842 2.041 -4.126 1.00 41.34 O ATOM 0 H ASP A 108 11.626 4.041 -0.222 1.00 21.33 H new ATOM 0 HA ASP A 108 9.617 4.574 -2.171 1.00 33.32 H new ATOM 0 HB2 ASP A 108 11.495 3.029 -2.516 1.00 42.01 H new ATOM 0 HB3 ASP A 108 10.983 2.045 -1.159 1.00 42.01 H new ATOM 1729 N HIS A 109 8.756 2.580 0.319 1.00 62.15 N ATOM 1730 CA HIS A 109 7.628 2.032 1.056 1.00 0.21 C ATOM 1731 C HIS A 109 7.959 1.964 2.543 1.00 53.02 C ATOM 1732 O HIS A 109 8.693 1.085 2.989 1.00 63.31 O ATOM 1733 CB HIS A 109 7.213 0.649 0.496 1.00 61.41 C ATOM 1734 CG HIS A 109 8.317 -0.382 0.392 1.00 44.15 C ATOM 1735 ND1 HIS A 109 8.075 -1.740 0.330 1.00 52.34 N ATOM 1736 CD2 HIS A 109 9.662 -0.251 0.309 1.00 24.52 C ATOM 1737 CE1 HIS A 109 9.218 -2.386 0.220 1.00 71.00 C ATOM 1738 NE2 HIS A 109 10.199 -1.510 0.200 1.00 1.21 N ATOM 0 H HIS A 109 9.666 2.252 0.643 1.00 62.15 H new ATOM 0 HA HIS A 109 6.772 2.695 0.930 1.00 0.21 H new ATOM 0 HB2 HIS A 109 6.423 0.245 1.129 1.00 61.41 H new ATOM 0 HB3 HIS A 109 6.784 0.794 -0.495 1.00 61.41 H new ATOM 0 HD1 HIS A 109 7.153 -2.176 0.364 1.00 52.34 H new ATOM 0 HD2 HIS A 109 10.214 0.677 0.326 1.00 24.52 H new ATOM 0 HE1 HIS A 109 9.331 -3.458 0.157 1.00 71.00 H new ATOM 1747 N ILE A 110 7.420 2.912 3.300 1.00 5.42 N ATOM 1748 CA ILE A 110 7.778 3.068 4.712 1.00 15.24 C ATOM 1749 C ILE A 110 6.526 3.142 5.593 1.00 44.32 C ATOM 1750 O ILE A 110 5.458 2.666 5.203 1.00 13.32 O ATOM 1751 CB ILE A 110 8.675 4.318 4.957 1.00 1.42 C ATOM 1752 CG1 ILE A 110 7.889 5.639 4.876 1.00 54.25 C ATOM 1753 CG2 ILE A 110 9.844 4.337 3.989 1.00 22.43 C ATOM 1754 CD1 ILE A 110 7.215 5.910 3.548 1.00 41.23 C ATOM 0 H ILE A 110 6.733 3.586 2.963 1.00 5.42 H new ATOM 0 HA ILE A 110 8.354 2.185 4.987 1.00 15.24 H new ATOM 0 HB ILE A 110 9.055 4.236 5.975 1.00 1.42 H new ATOM 0 HG12 ILE A 110 7.129 5.639 5.657 1.00 54.25 H new ATOM 0 HG13 ILE A 110 8.570 6.462 5.094 1.00 54.25 H new ATOM 0 HG21 ILE A 110 10.458 5.218 4.177 1.00 22.43 H new ATOM 0 HG22 ILE A 110 10.446 3.439 4.128 1.00 22.43 H new ATOM 0 HG23 ILE A 110 9.469 4.368 2.966 1.00 22.43 H new ATOM 0 HD11 ILE A 110 6.689 6.863 3.595 1.00 41.23 H new ATOM 0 HD12 ILE A 110 7.967 5.949 2.760 1.00 41.23 H new ATOM 0 HD13 ILE A 110 6.503 5.113 3.332 1.00 41.23 H new ATOM 1766 N PHE A 111 6.656 3.732 6.783 1.00 70.25 N ATOM 1767 CA PHE A 111 5.563 3.748 7.745 1.00 13.53 C ATOM 1768 C PHE A 111 5.265 5.161 8.239 1.00 73.33 C ATOM 1769 O PHE A 111 6.174 5.889 8.633 1.00 62.14 O ATOM 1770 CB PHE A 111 5.909 2.843 8.930 1.00 53.03 C ATOM 1771 CG PHE A 111 6.496 1.523 8.514 1.00 53.30 C ATOM 1772 CD1 PHE A 111 5.694 0.534 7.969 1.00 2.13 C ATOM 1773 CD2 PHE A 111 7.852 1.279 8.661 1.00 63.10 C ATOM 1774 CE1 PHE A 111 6.235 -0.675 7.578 1.00 74.25 C ATOM 1775 CE2 PHE A 111 8.398 0.071 8.271 1.00 51.24 C ATOM 1776 CZ PHE A 111 7.587 -0.908 7.730 1.00 74.32 C ATOM 0 H PHE A 111 7.505 4.202 7.098 1.00 70.25 H new ATOM 0 HA PHE A 111 4.668 3.378 7.244 1.00 13.53 H new ATOM 0 HB2 PHE A 111 6.616 3.359 9.579 1.00 53.03 H new ATOM 0 HB3 PHE A 111 5.009 2.664 9.518 1.00 53.03 H new ATOM 0 HD1 PHE A 111 4.635 0.710 7.849 1.00 2.13 H new ATOM 0 HD2 PHE A 111 8.489 2.041 9.085 1.00 63.10 H new ATOM 0 HE1 PHE A 111 5.600 -1.438 7.153 1.00 74.25 H new ATOM 0 HE2 PHE A 111 9.457 -0.107 8.389 1.00 51.24 H new ATOM 0 HZ PHE A 111 8.010 -1.854 7.426 1.00 74.32 H new ATOM 1786 N MET A 112 3.980 5.522 8.193 1.00 43.00 N ATOM 1787 CA MET A 112 3.460 6.797 8.716 1.00 65.24 C ATOM 1788 C MET A 112 4.322 7.995 8.316 1.00 42.24 C ATOM 1789 O MET A 112 5.182 8.436 9.080 1.00 62.30 O ATOM 1790 CB MET A 112 3.325 6.718 10.239 1.00 41.02 C ATOM 1791 CG MET A 112 2.561 7.877 10.875 1.00 34.13 C ATOM 1792 SD MET A 112 0.788 7.868 10.510 1.00 71.01 S ATOM 1793 CE MET A 112 0.733 8.722 8.939 1.00 35.24 C ATOM 0 H MET A 112 3.256 4.930 7.785 1.00 43.00 H new ATOM 0 HA MET A 112 2.479 6.955 8.268 1.00 65.24 H new ATOM 0 HB2 MET A 112 2.823 5.785 10.497 1.00 41.02 H new ATOM 0 HB3 MET A 112 4.322 6.675 10.676 1.00 41.02 H new ATOM 0 HG2 MET A 112 2.701 7.843 11.955 1.00 34.13 H new ATOM 0 HG3 MET A 112 2.990 8.817 10.528 1.00 34.13 H new ATOM 0 HE1 MET A 112 0.033 8.216 8.274 1.00 35.24 H new ATOM 0 HE2 MET A 112 0.406 9.750 9.095 1.00 35.24 H new ATOM 0 HE3 MET A 112 1.726 8.721 8.489 1.00 35.24 H new ATOM 1803 N THR A 113 4.088 8.521 7.121 1.00 73.11 N ATOM 1804 CA THR A 113 4.885 9.634 6.610 1.00 44.20 C ATOM 1805 C THR A 113 4.166 10.387 5.480 1.00 5.32 C ATOM 1806 O THR A 113 4.173 11.618 5.445 1.00 15.24 O ATOM 1807 CB THR A 113 6.262 9.140 6.101 1.00 32.45 C ATOM 1808 OG1 THR A 113 7.074 8.705 7.199 1.00 55.00 O ATOM 1809 CG2 THR A 113 6.990 10.228 5.330 1.00 62.41 C ATOM 0 H THR A 113 3.356 8.198 6.488 1.00 73.11 H new ATOM 0 HA THR A 113 5.030 10.322 7.443 1.00 44.20 H new ATOM 0 HB THR A 113 6.082 8.302 5.428 1.00 32.45 H new ATOM 0 HG1 THR A 113 6.612 8.894 8.042 1.00 55.00 H new ATOM 0 HG21 THR A 113 7.953 9.849 4.987 1.00 62.41 H new ATOM 0 HG22 THR A 113 6.391 10.528 4.470 1.00 62.41 H new ATOM 0 HG23 THR A 113 7.150 11.089 5.979 1.00 62.41 H new ATOM 1817 N LEU A 114 3.520 9.638 4.588 1.00 75.13 N ATOM 1818 CA LEU A 114 2.961 10.185 3.342 1.00 44.23 C ATOM 1819 C LEU A 114 2.138 11.472 3.517 1.00 53.22 C ATOM 1820 O LEU A 114 2.389 12.438 2.798 1.00 34.14 O ATOM 1821 CB LEU A 114 2.126 9.126 2.628 1.00 73.43 C ATOM 1822 CG LEU A 114 2.765 8.528 1.374 1.00 3.34 C ATOM 1823 CD1 LEU A 114 2.872 9.580 0.274 1.00 14.24 C ATOM 1824 CD2 LEU A 114 4.131 7.942 1.697 1.00 34.02 C ATOM 0 H LEU A 114 3.367 8.636 4.703 1.00 75.13 H new ATOM 0 HA LEU A 114 3.823 10.466 2.737 1.00 44.23 H new ATOM 0 HB2 LEU A 114 1.916 8.319 3.329 1.00 73.43 H new ATOM 0 HB3 LEU A 114 1.168 9.567 2.353 1.00 73.43 H new ATOM 0 HG LEU A 114 2.127 7.722 1.013 1.00 3.34 H new ATOM 0 HD11 LEU A 114 3.329 9.136 -0.611 1.00 14.24 H new ATOM 0 HD12 LEU A 114 1.877 9.947 0.023 1.00 14.24 H new ATOM 0 HD13 LEU A 114 3.487 10.410 0.623 1.00 14.24 H new ATOM 0 HD21 LEU A 114 4.570 7.521 0.792 1.00 34.02 H new ATOM 0 HD22 LEU A 114 4.781 8.726 2.085 1.00 34.02 H new ATOM 0 HD23 LEU A 114 4.023 7.158 2.446 1.00 34.02 H new ATOM 1836 N PRO A 115 1.143 11.517 4.441 1.00 3.12 N ATOM 1837 CA PRO A 115 0.299 12.709 4.635 1.00 55.44 C ATOM 1838 C PRO A 115 1.090 14.021 4.681 1.00 65.15 C ATOM 1839 O PRO A 115 0.727 14.992 4.016 1.00 72.34 O ATOM 1840 CB PRO A 115 -0.382 12.450 5.977 1.00 12.53 C ATOM 1841 CG PRO A 115 -0.504 10.973 6.049 1.00 53.53 C ATOM 1842 CD PRO A 115 0.739 10.420 5.347 1.00 53.22 C ATOM 0 HA PRO A 115 -0.391 12.841 3.801 1.00 55.44 H new ATOM 0 HB2 PRO A 115 0.210 12.841 6.805 1.00 12.53 H new ATOM 0 HB3 PRO A 115 -1.358 12.932 6.027 1.00 12.53 H new ATOM 0 HG2 PRO A 115 -0.553 10.634 7.084 1.00 53.53 H new ATOM 0 HG3 PRO A 115 -1.415 10.631 5.559 1.00 53.53 H new ATOM 0 HD2 PRO A 115 1.527 10.177 6.060 1.00 53.22 H new ATOM 0 HD3 PRO A 115 0.515 9.507 4.796 1.00 53.22 H new ATOM 1850 N THR A 116 2.176 14.049 5.445 1.00 43.33 N ATOM 1851 CA THR A 116 2.986 15.256 5.556 1.00 73.10 C ATOM 1852 C THR A 116 4.045 15.304 4.453 1.00 34.21 C ATOM 1853 O THR A 116 4.466 16.384 4.030 1.00 72.12 O ATOM 1854 CB THR A 116 3.650 15.380 6.952 1.00 42.24 C ATOM 1855 OG1 THR A 116 4.450 16.567 7.020 1.00 53.22 O ATOM 1856 CG2 THR A 116 4.514 14.169 7.277 1.00 3.42 C ATOM 0 H THR A 116 2.514 13.257 5.992 1.00 43.33 H new ATOM 0 HA THR A 116 2.316 16.107 5.434 1.00 73.10 H new ATOM 0 HB THR A 116 2.847 15.434 7.688 1.00 42.24 H new ATOM 0 HG1 THR A 116 4.862 16.634 7.907 1.00 53.22 H new ATOM 0 HG21 THR A 116 4.961 14.295 8.263 1.00 3.42 H new ATOM 0 HG22 THR A 116 3.898 13.270 7.270 1.00 3.42 H new ATOM 0 HG23 THR A 116 5.303 14.074 6.531 1.00 3.42 H new ATOM 1864 N ALA A 117 4.444 14.133 3.966 1.00 15.10 N ATOM 1865 CA ALA A 117 5.448 14.040 2.915 1.00 21.41 C ATOM 1866 C ALA A 117 4.979 14.742 1.645 1.00 72.35 C ATOM 1867 O ALA A 117 5.660 15.629 1.131 1.00 11.42 O ATOM 1868 CB ALA A 117 5.781 12.585 2.623 1.00 12.31 C ATOM 0 H ALA A 117 4.085 13.233 4.285 1.00 15.10 H new ATOM 0 HA ALA A 117 6.350 14.541 3.266 1.00 21.41 H new ATOM 0 HB1 ALA A 117 6.533 12.535 1.835 1.00 12.31 H new ATOM 0 HB2 ALA A 117 6.169 12.112 3.525 1.00 12.31 H new ATOM 0 HB3 ALA A 117 4.880 12.064 2.299 1.00 12.31 H new ATOM 1874 N VAL A 118 3.799 14.364 1.158 1.00 3.25 N ATOM 1875 CA VAL A 118 3.259 14.959 -0.063 1.00 44.41 C ATOM 1876 C VAL A 118 3.009 16.452 0.119 1.00 5.55 C ATOM 1877 O VAL A 118 3.162 17.235 -0.817 1.00 71.41 O ATOM 1878 CB VAL A 118 1.957 14.265 -0.529 1.00 1.25 C ATOM 1879 CG1 VAL A 118 2.241 12.844 -0.984 1.00 22.42 C ATOM 1880 CG2 VAL A 118 0.900 14.271 0.568 1.00 51.23 C ATOM 0 H VAL A 118 3.203 13.655 1.585 1.00 3.25 H new ATOM 0 HA VAL A 118 4.012 14.813 -0.837 1.00 44.41 H new ATOM 0 HB VAL A 118 1.565 14.831 -1.374 1.00 1.25 H new ATOM 0 HG11 VAL A 118 1.313 12.373 -1.308 1.00 22.42 H new ATOM 0 HG12 VAL A 118 2.947 12.862 -1.814 1.00 22.42 H new ATOM 0 HG13 VAL A 118 2.667 12.276 -0.157 1.00 22.42 H new ATOM 0 HG21 VAL A 118 -0.002 13.776 0.207 1.00 51.23 H new ATOM 0 HG22 VAL A 118 1.280 13.742 1.442 1.00 51.23 H new ATOM 0 HG23 VAL A 118 0.664 15.300 0.841 1.00 51.23 H new ATOM 1890 N GLN A 119 2.654 16.843 1.338 1.00 70.34 N ATOM 1891 CA GLN A 119 2.426 18.244 1.662 1.00 73.10 C ATOM 1892 C GLN A 119 3.674 19.065 1.355 1.00 70.43 C ATOM 1893 O GLN A 119 3.603 20.114 0.715 1.00 54.52 O ATOM 1894 CB GLN A 119 2.057 18.383 3.139 1.00 22.25 C ATOM 1895 CG GLN A 119 1.826 19.817 3.588 1.00 12.54 C ATOM 1896 CD GLN A 119 1.530 19.925 5.074 1.00 63.34 C ATOM 1897 OE1 GLN A 119 0.797 20.816 5.506 1.00 74.21 O ATOM 1898 NE2 GLN A 119 2.117 19.042 5.870 1.00 32.21 N ATOM 0 H GLN A 119 2.518 16.204 2.121 1.00 70.34 H new ATOM 0 HA GLN A 119 1.603 18.618 1.053 1.00 73.10 H new ATOM 0 HB2 GLN A 119 1.155 17.803 3.333 1.00 22.25 H new ATOM 0 HB3 GLN A 119 2.852 17.948 3.744 1.00 22.25 H new ATOM 0 HG2 GLN A 119 2.707 20.414 3.353 1.00 12.54 H new ATOM 0 HG3 GLN A 119 0.995 20.241 3.024 1.00 12.54 H new ATOM 0 HE21 GLN A 119 2.717 18.319 5.474 1.00 32.21 H new ATOM 0 HE22 GLN A 119 1.968 19.086 6.878 1.00 32.21 H new ATOM 1907 N ALA A 120 4.819 18.560 1.797 1.00 4.33 N ATOM 1908 CA ALA A 120 6.081 19.250 1.604 1.00 33.14 C ATOM 1909 C ALA A 120 6.616 19.061 0.187 1.00 41.01 C ATOM 1910 O ALA A 120 7.017 20.018 -0.464 1.00 23.51 O ATOM 1911 CB ALA A 120 7.105 18.765 2.619 1.00 23.52 C ATOM 0 H ALA A 120 4.896 17.672 2.293 1.00 4.33 H new ATOM 0 HA ALA A 120 5.902 20.315 1.753 1.00 33.14 H new ATOM 0 HB1 ALA A 120 8.048 19.290 2.464 1.00 23.52 H new ATOM 0 HB2 ALA A 120 6.740 18.963 3.627 1.00 23.52 H new ATOM 0 HB3 ALA A 120 7.262 17.694 2.494 1.00 23.52 H new ATOM 1917 N PHE A 121 6.597 17.828 -0.297 1.00 23.33 N ATOM 1918 CA PHE A 121 7.245 17.497 -1.566 1.00 0.13 C ATOM 1919 C PHE A 121 6.428 17.923 -2.787 1.00 13.24 C ATOM 1920 O PHE A 121 6.897 17.801 -3.916 1.00 71.42 O ATOM 1921 CB PHE A 121 7.557 16.001 -1.638 1.00 52.20 C ATOM 1922 CG PHE A 121 8.600 15.559 -0.647 1.00 73.45 C ATOM 1923 CD1 PHE A 121 9.794 16.252 -0.526 1.00 31.30 C ATOM 1924 CD2 PHE A 121 8.385 14.458 0.166 1.00 71.33 C ATOM 1925 CE1 PHE A 121 10.752 15.856 0.387 1.00 51.14 C ATOM 1926 CE2 PHE A 121 9.340 14.058 1.082 1.00 24.12 C ATOM 1927 CZ PHE A 121 10.524 14.758 1.191 1.00 13.24 C ATOM 0 H PHE A 121 6.143 17.040 0.165 1.00 23.33 H new ATOM 0 HA PHE A 121 8.174 18.066 -1.593 1.00 0.13 H new ATOM 0 HB2 PHE A 121 6.640 15.438 -1.465 1.00 52.20 H new ATOM 0 HB3 PHE A 121 7.896 15.756 -2.645 1.00 52.20 H new ATOM 0 HD1 PHE A 121 9.978 17.112 -1.153 1.00 31.30 H new ATOM 0 HD2 PHE A 121 7.461 13.906 0.083 1.00 71.33 H new ATOM 0 HE1 PHE A 121 11.678 16.405 0.471 1.00 51.14 H new ATOM 0 HE2 PHE A 121 9.160 13.199 1.711 1.00 24.12 H new ATOM 0 HZ PHE A 121 11.272 14.447 1.905 1.00 13.24 H new ATOM 1937 N ARG A 122 5.210 18.413 -2.587 1.00 71.23 N ATOM 1938 CA ARG A 122 4.408 18.902 -3.708 1.00 65.24 C ATOM 1939 C ARG A 122 4.292 20.424 -3.681 1.00 74.15 C ATOM 1940 O ARG A 122 3.541 21.012 -4.462 1.00 24.40 O ATOM 1941 CB ARG A 122 3.009 18.270 -3.703 1.00 54.24 C ATOM 1942 CG ARG A 122 2.996 16.761 -3.935 1.00 61.24 C ATOM 1943 CD ARG A 122 3.454 16.385 -5.342 1.00 21.15 C ATOM 1944 NE ARG A 122 4.894 16.570 -5.536 1.00 65.15 N ATOM 1945 CZ ARG A 122 5.581 16.074 -6.566 1.00 4.13 C ATOM 1946 NH1 ARG A 122 4.969 15.371 -7.513 1.00 1.41 N ATOM 1947 NH2 ARG A 122 6.888 16.280 -6.649 1.00 31.21 N ATOM 0 H ARG A 122 4.759 18.483 -1.675 1.00 71.23 H new ATOM 0 HA ARG A 122 4.919 18.610 -4.625 1.00 65.24 H new ATOM 0 HB2 ARG A 122 2.532 18.482 -2.746 1.00 54.24 H new ATOM 0 HB3 ARG A 122 2.405 18.749 -4.474 1.00 54.24 H new ATOM 0 HG2 ARG A 122 3.644 16.278 -3.204 1.00 61.24 H new ATOM 0 HG3 ARG A 122 1.989 16.379 -3.770 1.00 61.24 H new ATOM 0 HD2 ARG A 122 3.196 15.344 -5.538 1.00 21.15 H new ATOM 0 HD3 ARG A 122 2.913 16.990 -6.070 1.00 21.15 H new ATOM 0 HE ARG A 122 5.404 17.113 -4.839 1.00 65.15 H new ATOM 0 HH11 ARG A 122 3.964 15.206 -7.457 1.00 1.41 H new ATOM 0 HH12 ARG A 122 5.504 14.996 -8.296 1.00 1.41 H new ATOM 0 HH21 ARG A 122 7.367 16.817 -5.926 1.00 31.21 H new ATOM 0 HH22 ARG A 122 7.415 15.901 -7.436 1.00 31.21 H new ATOM 1961 N ARG A 123 5.043 21.061 -2.793 1.00 63.54 N ATOM 1962 CA ARG A 123 5.008 22.515 -2.672 1.00 22.11 C ATOM 1963 C ARG A 123 6.411 23.079 -2.461 1.00 51.42 C ATOM 1964 O ARG A 123 6.780 24.075 -3.085 1.00 63.41 O ATOM 1965 CB ARG A 123 4.038 22.933 -1.549 1.00 42.52 C ATOM 1966 CG ARG A 123 4.572 23.978 -0.579 1.00 11.34 C ATOM 1967 CD ARG A 123 5.069 23.329 0.703 1.00 72.40 C ATOM 1968 NE ARG A 123 5.618 24.301 1.645 1.00 43.22 N ATOM 1969 CZ ARG A 123 5.228 24.398 2.919 1.00 24.24 C ATOM 1970 NH1 ARG A 123 4.212 23.666 3.365 1.00 51.31 N ATOM 1971 NH2 ARG A 123 5.832 25.249 3.738 1.00 74.13 N ATOM 0 H ARG A 123 5.682 20.597 -2.147 1.00 63.54 H new ATOM 0 HA ARG A 123 4.635 22.938 -3.605 1.00 22.11 H new ATOM 0 HB2 ARG A 123 3.126 23.318 -2.005 1.00 42.52 H new ATOM 0 HB3 ARG A 123 3.761 22.044 -0.982 1.00 42.52 H new ATOM 0 HG2 ARG A 123 5.384 24.533 -1.048 1.00 11.34 H new ATOM 0 HG3 ARG A 123 3.787 24.697 -0.346 1.00 11.34 H new ATOM 0 HD2 ARG A 123 4.247 22.792 1.177 1.00 72.40 H new ATOM 0 HD3 ARG A 123 5.834 22.591 0.460 1.00 72.40 H new ATOM 0 HE ARG A 123 6.339 24.941 1.312 1.00 43.22 H new ATOM 0 HH11 ARG A 123 3.728 23.028 2.734 1.00 51.31 H new ATOM 0 HH12 ARG A 123 3.917 23.743 4.338 1.00 51.31 H new ATOM 0 HH21 ARG A 123 6.596 25.831 3.395 1.00 74.13 H new ATOM 0 HH22 ARG A 123 5.532 25.321 4.710 1.00 74.13 H new ATOM 1985 N ARG A 124 7.183 22.415 -1.604 1.00 64.24 N ATOM 1986 CA ARG A 124 8.558 22.804 -1.295 1.00 73.14 C ATOM 1987 C ARG A 124 8.618 24.223 -0.736 1.00 31.34 C ATOM 1988 O ARG A 124 8.944 25.157 -1.492 1.00 12.22 O ATOM 1989 CB ARG A 124 9.458 22.667 -2.530 1.00 1.50 C ATOM 1990 CG ARG A 124 9.507 21.253 -3.093 1.00 4.43 C ATOM 1991 CD ARG A 124 9.968 20.250 -2.047 1.00 44.33 C ATOM 1992 NE ARG A 124 11.343 20.498 -1.617 1.00 32.51 N ATOM 1993 CZ ARG A 124 11.690 20.885 -0.391 1.00 44.53 C ATOM 1994 NH1 ARG A 124 10.765 21.059 0.550 1.00 2.51 N ATOM 1995 NH2 ARG A 124 12.968 21.091 -0.109 1.00 64.12 N ATOM 0 H ARG A 124 6.870 21.585 -1.100 1.00 64.24 H new ATOM 0 HA ARG A 124 8.930 22.126 -0.527 1.00 73.14 H new ATOM 0 HB2 ARG A 124 9.103 23.346 -3.305 1.00 1.50 H new ATOM 0 HB3 ARG A 124 10.469 22.981 -2.270 1.00 1.50 H new ATOM 0 HG2 ARG A 124 8.519 20.971 -3.458 1.00 4.43 H new ATOM 0 HG3 ARG A 124 10.182 21.224 -3.948 1.00 4.43 H new ATOM 0 HD2 ARG A 124 9.304 20.296 -1.183 1.00 44.33 H new ATOM 0 HD3 ARG A 124 9.892 19.242 -2.454 1.00 44.33 H new ATOM 0 HE ARG A 124 12.087 20.366 -2.302 1.00 32.51 H new ATOM 0 HH11 ARG A 124 9.781 20.896 0.335 1.00 2.51 H new ATOM 0 HH12 ARG A 124 11.040 21.356 1.486 1.00 2.51 H new ATOM 0 HH21 ARG A 124 13.678 20.953 -0.829 1.00 64.12 H new ATOM 0 HH22 ARG A 124 13.242 21.388 0.828 1.00 64.12 H new TER 2009 ARG A 124