USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 604 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 45 TYR OH : rot 180:sc= -1.06! USER MOD Set 1.2: A 48 THR OG1 : rot 87:sc= 0.406 USER MOD Set 2.1: A 9 TYR OH : rot -15:sc= 0.925 USER MOD Set 2.2: A 35 TYR OH : rot -30:sc= 0.299 USER MOD Set 2.3: A 38 THR OG1 : rot 38:sc= 0.34 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.000566) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0142 USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0774) USER MOD Single : A 18 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.43) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 170:sc= -0.112 USER MOD Single : A 28 LYS NZ :NH3+ -145:sc= 0.726 (180deg=0.03) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 37:sc= 0.217 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0213 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -146:sc= -0.0355 (180deg=-0.534) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -25:sc= 0.203 USER MOD Single : A 71 ASN : amide:sc= -0.195 X(o=-0.19,f=-0.042) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 77 LYS NZ :NH3+ 161:sc= 0.977 (180deg=0.592) USER MOD Single : A 78 HIS : no HD1:sc= -0.738 K(o=-0.73,f=-1.5) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HE2:sc= 0.247 K(o=0.25,f=-0.93) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.096 22.949 -1.638 1.00 21.52 N ATOM 2 CA MET A 1 -6.927 22.320 -0.980 1.00 71.20 C ATOM 3 C MET A 1 -6.820 20.834 -1.393 1.00 12.12 C ATOM 4 O MET A 1 -7.648 20.008 -0.992 1.00 44.15 O ATOM 5 CB MET A 1 -7.033 22.493 0.567 1.00 64.22 C ATOM 6 CG MET A 1 -5.790 22.061 1.373 1.00 45.32 C ATOM 7 SD MET A 1 -5.546 20.270 1.416 1.00 52.32 S ATOM 8 CE MET A 1 -4.032 20.141 2.374 1.00 10.43 C ATOM 0 H1 MET A 1 -8.159 23.947 -1.354 1.00 21.52 H new ATOM 0 H2 MET A 1 -7.987 22.889 -2.671 1.00 21.52 H new ATOM 0 H3 MET A 1 -8.964 22.453 -1.352 1.00 21.52 H new ATOM 0 HA MET A 1 -6.012 22.815 -1.306 1.00 71.20 H new ATOM 0 HB2 MET A 1 -7.238 23.541 0.784 1.00 64.22 H new ATOM 0 HB3 MET A 1 -7.890 21.920 0.921 1.00 64.22 H new ATOM 0 HG2 MET A 1 -4.906 22.530 0.941 1.00 45.32 H new ATOM 0 HG3 MET A 1 -5.882 22.432 2.394 1.00 45.32 H new ATOM 0 HE1 MET A 1 -3.749 19.093 2.467 1.00 10.43 H new ATOM 0 HE2 MET A 1 -3.235 20.689 1.871 1.00 10.43 H new ATOM 0 HE3 MET A 1 -4.192 20.563 3.366 1.00 10.43 H new ATOM 20 N ASP A 2 -5.824 20.518 -2.236 1.00 33.02 N ATOM 21 CA ASP A 2 -5.504 19.129 -2.621 1.00 14.22 C ATOM 22 C ASP A 2 -4.555 18.499 -1.569 1.00 61.25 C ATOM 23 O ASP A 2 -3.391 18.906 -1.455 1.00 73.42 O ATOM 24 CB ASP A 2 -4.848 19.099 -4.027 1.00 60.31 C ATOM 25 CG ASP A 2 -5.724 19.750 -5.109 1.00 35.44 C ATOM 26 OD1 ASP A 2 -5.633 20.983 -5.304 1.00 5.35 O ATOM 27 OD2 ASP A 2 -6.517 19.033 -5.758 1.00 2.03 O ATOM 0 H ASP A 2 -5.218 21.214 -2.670 1.00 33.02 H new ATOM 0 HA ASP A 2 -6.426 18.549 -2.658 1.00 14.22 H new ATOM 0 HB2 ASP A 2 -3.888 19.614 -3.986 1.00 60.31 H new ATOM 0 HB3 ASP A 2 -4.644 18.065 -4.305 1.00 60.31 H new ATOM 32 N GLU A 3 -5.058 17.530 -0.782 1.00 64.03 N ATOM 33 CA GLU A 3 -4.226 16.801 0.206 1.00 75.24 C ATOM 34 C GLU A 3 -3.753 15.458 -0.386 1.00 71.11 C ATOM 35 O GLU A 3 -4.523 14.771 -1.060 1.00 14.53 O ATOM 36 CB GLU A 3 -5.003 16.588 1.533 1.00 53.52 C ATOM 37 CG GLU A 3 -4.155 15.963 2.671 1.00 43.30 C ATOM 38 CD GLU A 3 -4.748 16.190 4.073 1.00 51.32 C ATOM 39 OE1 GLU A 3 -4.577 17.302 4.621 1.00 60.10 O ATOM 40 OE2 GLU A 3 -5.379 15.275 4.623 1.00 1.14 O ATOM 0 H GLU A 3 -6.033 17.231 -0.807 1.00 64.03 H new ATOM 0 HA GLU A 3 -3.346 17.403 0.434 1.00 75.24 H new ATOM 0 HB2 GLU A 3 -5.393 17.548 1.871 1.00 53.52 H new ATOM 0 HB3 GLU A 3 -5.862 15.945 1.339 1.00 53.52 H new ATOM 0 HG2 GLU A 3 -4.058 14.892 2.495 1.00 43.30 H new ATOM 0 HG3 GLU A 3 -3.150 16.384 2.638 1.00 43.30 H new ATOM 47 N ASP A 4 -2.485 15.085 -0.124 1.00 52.13 N ATOM 48 CA ASP A 4 -1.860 13.878 -0.714 1.00 71.30 C ATOM 49 C ASP A 4 -1.799 12.693 0.285 1.00 65.51 C ATOM 50 O ASP A 4 -2.023 12.861 1.490 1.00 52.35 O ATOM 51 CB ASP A 4 -0.449 14.225 -1.260 1.00 72.33 C ATOM 52 CG ASP A 4 0.505 14.768 -0.182 1.00 31.43 C ATOM 53 OD1 ASP A 4 0.535 15.999 0.039 1.00 30.05 O ATOM 54 OD2 ASP A 4 1.220 13.971 0.459 1.00 41.25 O ATOM 0 H ASP A 4 -1.866 15.606 0.498 1.00 52.13 H new ATOM 0 HA ASP A 4 -2.490 13.550 -1.541 1.00 71.30 H new ATOM 0 HB2 ASP A 4 -0.011 13.333 -1.707 1.00 72.33 H new ATOM 0 HB3 ASP A 4 -0.546 14.965 -2.055 1.00 72.33 H new ATOM 59 N ALA A 5 -1.493 11.498 -0.252 1.00 14.21 N ATOM 60 CA ALA A 5 -1.359 10.244 0.522 1.00 64.34 C ATOM 61 C ALA A 5 -0.161 9.421 0.008 1.00 11.52 C ATOM 62 O ALA A 5 0.139 9.417 -1.194 1.00 74.44 O ATOM 63 CB ALA A 5 -2.655 9.417 0.438 1.00 3.41 C ATOM 0 H ALA A 5 -1.329 11.371 -1.251 1.00 14.21 H new ATOM 0 HA ALA A 5 -1.181 10.500 1.566 1.00 64.34 H new ATOM 0 HB1 ALA A 5 -2.538 8.498 1.013 1.00 3.41 H new ATOM 0 HB2 ALA A 5 -3.484 9.997 0.845 1.00 3.41 H new ATOM 0 HB3 ALA A 5 -2.862 9.170 -0.603 1.00 3.41 H new ATOM 69 N THR A 6 0.500 8.701 0.921 1.00 43.13 N ATOM 70 CA THR A 6 1.711 7.907 0.624 1.00 40.34 C ATOM 71 C THR A 6 1.401 6.393 0.667 1.00 33.41 C ATOM 72 O THR A 6 0.686 5.926 1.540 1.00 12.21 O ATOM 73 CB THR A 6 2.850 8.273 1.643 1.00 14.14 C ATOM 74 OG1 THR A 6 3.342 9.593 1.365 1.00 50.54 O ATOM 75 CG2 THR A 6 4.030 7.282 1.646 1.00 41.34 C ATOM 0 H THR A 6 0.212 8.649 1.898 1.00 43.13 H new ATOM 0 HA THR A 6 2.050 8.147 -0.384 1.00 40.34 H new ATOM 0 HB THR A 6 2.398 8.222 2.633 1.00 14.14 H new ATOM 0 HG1 THR A 6 4.051 9.819 2.003 1.00 50.54 H new ATOM 0 HG21 THR A 6 4.774 7.604 2.375 1.00 41.34 H new ATOM 0 HG22 THR A 6 3.670 6.288 1.910 1.00 41.34 H new ATOM 0 HG23 THR A 6 4.483 7.252 0.655 1.00 41.34 H new ATOM 83 N ILE A 7 1.925 5.640 -0.316 1.00 52.52 N ATOM 84 CA ILE A 7 1.893 4.158 -0.327 1.00 10.51 C ATOM 85 C ILE A 7 3.343 3.641 -0.323 1.00 42.00 C ATOM 86 O ILE A 7 4.173 4.126 -1.095 1.00 30.04 O ATOM 87 CB ILE A 7 1.146 3.532 -1.582 1.00 61.32 C ATOM 88 CG1 ILE A 7 -0.273 4.161 -1.821 1.00 21.20 C ATOM 89 CG2 ILE A 7 1.031 1.991 -1.418 1.00 22.52 C ATOM 90 CD1 ILE A 7 -0.286 5.527 -2.509 1.00 2.22 C ATOM 0 H ILE A 7 2.387 6.041 -1.133 1.00 52.52 H new ATOM 0 HA ILE A 7 1.334 3.852 0.557 1.00 10.51 H new ATOM 0 HB ILE A 7 1.746 3.765 -2.461 1.00 61.32 H new ATOM 0 HG12 ILE A 7 -0.861 3.467 -2.421 1.00 21.20 H new ATOM 0 HG13 ILE A 7 -0.775 4.255 -0.858 1.00 21.20 H new ATOM 0 HG21 ILE A 7 0.518 1.570 -2.283 1.00 22.52 H new ATOM 0 HG22 ILE A 7 2.028 1.558 -1.342 1.00 22.52 H new ATOM 0 HG23 ILE A 7 0.466 1.762 -0.514 1.00 22.52 H new ATOM 0 HD11 ILE A 7 -1.315 5.867 -2.624 1.00 2.22 H new ATOM 0 HD12 ILE A 7 0.268 6.245 -1.904 1.00 2.22 H new ATOM 0 HD13 ILE A 7 0.180 5.444 -3.491 1.00 2.22 H new ATOM 102 N THR A 8 3.645 2.659 0.533 1.00 24.41 N ATOM 103 CA THR A 8 5.004 2.088 0.657 1.00 60.50 C ATOM 104 C THR A 8 4.936 0.570 0.948 1.00 22.33 C ATOM 105 O THR A 8 4.469 0.151 2.010 1.00 44.11 O ATOM 106 CB THR A 8 5.822 2.816 1.784 1.00 1.44 C ATOM 107 OG1 THR A 8 5.899 4.231 1.510 1.00 53.22 O ATOM 108 CG2 THR A 8 7.253 2.259 1.931 1.00 55.40 C ATOM 0 H THR A 8 2.962 2.234 1.160 1.00 24.41 H new ATOM 0 HA THR A 8 5.515 2.241 -0.293 1.00 60.50 H new ATOM 0 HB THR A 8 5.292 2.636 2.719 1.00 1.44 H new ATOM 0 HG1 THR A 8 6.409 4.674 2.219 1.00 53.22 H new ATOM 0 HG21 THR A 8 7.773 2.797 2.723 1.00 55.40 H new ATOM 0 HG22 THR A 8 7.207 1.199 2.182 1.00 55.40 H new ATOM 0 HG23 THR A 8 7.791 2.386 0.992 1.00 55.40 H new ATOM 116 N TYR A 9 5.384 -0.246 -0.021 1.00 0.21 N ATOM 117 CA TYR A 9 5.526 -1.710 0.155 1.00 10.24 C ATOM 118 C TYR A 9 6.767 -2.031 1.037 1.00 34.33 C ATOM 119 O TYR A 9 7.760 -1.302 0.996 1.00 75.54 O ATOM 120 CB TYR A 9 5.671 -2.408 -1.226 1.00 31.43 C ATOM 121 CG TYR A 9 4.478 -2.264 -2.191 1.00 22.43 C ATOM 122 CD1 TYR A 9 4.226 -1.064 -2.869 1.00 2.45 C ATOM 123 CD2 TYR A 9 3.616 -3.337 -2.440 1.00 31.02 C ATOM 124 CE1 TYR A 9 3.165 -0.948 -3.743 1.00 64.02 C ATOM 125 CE2 TYR A 9 2.558 -3.222 -3.315 1.00 33.14 C ATOM 126 CZ TYR A 9 2.336 -2.028 -3.962 1.00 53.22 C ATOM 127 OH TYR A 9 1.280 -1.914 -4.835 1.00 53.40 O ATOM 0 H TYR A 9 5.658 0.084 -0.946 1.00 0.21 H new ATOM 0 HA TYR A 9 4.631 -2.085 0.651 1.00 10.24 H new ATOM 0 HB2 TYR A 9 6.559 -2.012 -1.718 1.00 31.43 H new ATOM 0 HB3 TYR A 9 5.848 -3.470 -1.056 1.00 31.43 H new ATOM 0 HD1 TYR A 9 4.873 -0.215 -2.705 1.00 2.45 H new ATOM 0 HD2 TYR A 9 3.784 -4.277 -1.935 1.00 31.02 H new ATOM 0 HE1 TYR A 9 2.984 -0.014 -4.254 1.00 64.02 H new ATOM 0 HE2 TYR A 9 1.906 -4.065 -3.492 1.00 33.14 H new ATOM 0 HH TYR A 9 1.113 -0.967 -5.024 1.00 53.40 H new ATOM 137 N VAL A 10 6.683 -3.113 1.840 1.00 72.51 N ATOM 138 CA VAL A 10 7.793 -3.617 2.700 1.00 31.55 C ATOM 139 C VAL A 10 7.735 -5.166 2.768 1.00 15.03 C ATOM 140 O VAL A 10 6.650 -5.743 2.763 1.00 14.42 O ATOM 141 CB VAL A 10 7.758 -3.046 4.184 1.00 43.34 C ATOM 142 CG1 VAL A 10 7.923 -1.506 4.235 1.00 50.43 C ATOM 143 CG2 VAL A 10 6.480 -3.488 4.940 1.00 65.12 C ATOM 0 H VAL A 10 5.834 -3.674 1.915 1.00 72.51 H new ATOM 0 HA VAL A 10 8.718 -3.270 2.239 1.00 31.55 H new ATOM 0 HB VAL A 10 8.619 -3.478 4.694 1.00 43.34 H new ATOM 0 HG11 VAL A 10 7.892 -1.171 5.272 1.00 50.43 H new ATOM 0 HG12 VAL A 10 8.879 -1.228 3.793 1.00 50.43 H new ATOM 0 HG13 VAL A 10 7.114 -1.035 3.677 1.00 50.43 H new ATOM 0 HG21 VAL A 10 6.494 -3.077 5.950 1.00 65.12 H new ATOM 0 HG22 VAL A 10 5.600 -3.122 4.412 1.00 65.12 H new ATOM 0 HG23 VAL A 10 6.446 -4.576 4.991 1.00 65.12 H new ATOM 153 N ASP A 11 8.898 -5.834 2.823 1.00 54.32 N ATOM 154 CA ASP A 11 8.975 -7.286 3.076 1.00 52.22 C ATOM 155 C ASP A 11 9.103 -7.567 4.579 1.00 23.25 C ATOM 156 O ASP A 11 10.144 -7.262 5.165 1.00 21.53 O ATOM 157 CB ASP A 11 10.191 -7.924 2.364 1.00 54.10 C ATOM 158 CG ASP A 11 10.098 -7.897 0.852 1.00 50.25 C ATOM 159 OD1 ASP A 11 9.258 -8.635 0.301 1.00 20.15 O ATOM 160 OD2 ASP A 11 10.892 -7.173 0.210 1.00 73.31 O ATOM 0 H ASP A 11 9.807 -5.389 2.695 1.00 54.32 H new ATOM 0 HA ASP A 11 8.056 -7.723 2.685 1.00 52.22 H new ATOM 0 HB2 ASP A 11 11.096 -7.401 2.672 1.00 54.10 H new ATOM 0 HB3 ASP A 11 10.292 -8.958 2.694 1.00 54.10 H new ATOM 165 N ASP A 12 8.076 -8.190 5.183 1.00 13.50 N ATOM 166 CA ASP A 12 8.166 -8.734 6.567 1.00 15.11 C ATOM 167 C ASP A 12 9.192 -9.900 6.635 1.00 44.45 C ATOM 168 O ASP A 12 9.760 -10.184 7.694 1.00 62.21 O ATOM 169 CB ASP A 12 6.768 -9.170 7.075 1.00 35.34 C ATOM 170 CG ASP A 12 5.984 -10.007 6.051 1.00 62.42 C ATOM 171 OD1 ASP A 12 6.120 -11.252 6.043 1.00 24.24 O ATOM 172 OD2 ASP A 12 5.228 -9.408 5.255 1.00 50.20 O ATOM 0 H ASP A 12 7.168 -8.334 4.741 1.00 13.50 H new ATOM 0 HA ASP A 12 8.524 -7.945 7.228 1.00 15.11 H new ATOM 0 HB2 ASP A 12 6.886 -9.747 7.992 1.00 35.34 H new ATOM 0 HB3 ASP A 12 6.188 -8.283 7.329 1.00 35.34 H new ATOM 177 N ASP A 13 9.431 -10.533 5.467 1.00 4.32 N ATOM 178 CA ASP A 13 10.487 -11.540 5.254 1.00 40.33 C ATOM 179 C ASP A 13 11.906 -10.942 5.481 1.00 20.54 C ATOM 180 O ASP A 13 12.810 -11.624 5.973 1.00 25.41 O ATOM 181 CB ASP A 13 10.353 -12.065 3.800 1.00 30.22 C ATOM 182 CG ASP A 13 11.350 -13.179 3.443 1.00 75.15 C ATOM 183 OD1 ASP A 13 11.083 -14.356 3.773 1.00 21.14 O ATOM 184 OD2 ASP A 13 12.397 -12.882 2.828 1.00 62.21 O ATOM 0 H ASP A 13 8.881 -10.352 4.627 1.00 4.32 H new ATOM 0 HA ASP A 13 10.366 -12.350 5.973 1.00 40.33 H new ATOM 0 HB2 ASP A 13 9.339 -12.437 3.651 1.00 30.22 H new ATOM 0 HB3 ASP A 13 10.492 -11.233 3.110 1.00 30.22 H new ATOM 189 N LYS A 14 12.079 -9.656 5.115 1.00 42.31 N ATOM 190 CA LYS A 14 13.395 -8.966 5.126 1.00 14.15 C ATOM 191 C LYS A 14 13.481 -7.945 6.310 1.00 34.35 C ATOM 192 O LYS A 14 14.220 -6.953 6.247 1.00 72.34 O ATOM 193 CB LYS A 14 13.594 -8.264 3.739 1.00 72.14 C ATOM 194 CG LYS A 14 15.063 -7.967 3.300 1.00 53.14 C ATOM 195 CD LYS A 14 15.766 -9.155 2.570 1.00 31.52 C ATOM 196 CE LYS A 14 16.200 -10.312 3.492 1.00 24.43 C ATOM 197 NZ LYS A 14 17.240 -9.889 4.465 1.00 3.14 N ATOM 0 H LYS A 14 11.312 -9.061 4.802 1.00 42.31 H new ATOM 0 HA LYS A 14 14.196 -9.689 5.281 1.00 14.15 H new ATOM 0 HB2 LYS A 14 13.131 -8.888 2.974 1.00 72.14 H new ATOM 0 HB3 LYS A 14 13.048 -7.321 3.755 1.00 72.14 H new ATOM 0 HG2 LYS A 14 15.065 -7.098 2.641 1.00 53.14 H new ATOM 0 HG3 LYS A 14 15.647 -7.700 4.181 1.00 53.14 H new ATOM 0 HD2 LYS A 14 15.090 -9.548 1.810 1.00 31.52 H new ATOM 0 HD3 LYS A 14 16.645 -8.775 2.049 1.00 31.52 H new ATOM 0 HE2 LYS A 14 15.332 -10.691 4.031 1.00 24.43 H new ATOM 0 HE3 LYS A 14 16.583 -11.134 2.887 1.00 24.43 H new ATOM 0 HZ1 LYS A 14 17.612 -10.724 4.960 1.00 3.14 H new ATOM 0 HZ2 LYS A 14 18.014 -9.412 3.960 1.00 3.14 H new ATOM 0 HZ3 LYS A 14 16.822 -9.234 5.157 1.00 3.14 H new ATOM 211 N GLY A 15 12.741 -8.236 7.405 1.00 22.30 N ATOM 212 CA GLY A 15 12.698 -7.372 8.605 1.00 51.11 C ATOM 213 C GLY A 15 11.964 -6.035 8.425 1.00 24.24 C ATOM 214 O GLY A 15 12.255 -5.059 9.127 1.00 2.23 O ATOM 0 H GLY A 15 12.161 -9.071 7.480 1.00 22.30 H new ATOM 0 HA2 GLY A 15 12.219 -7.925 9.413 1.00 51.11 H new ATOM 0 HA3 GLY A 15 13.721 -7.167 8.921 1.00 51.11 H new ATOM 218 N GLY A 16 10.996 -6.006 7.497 1.00 73.03 N ATOM 219 CA GLY A 16 10.223 -4.790 7.183 1.00 34.25 C ATOM 220 C GLY A 16 10.937 -3.825 6.219 1.00 61.21 C ATOM 221 O GLY A 16 10.678 -2.615 6.245 1.00 73.34 O ATOM 0 H GLY A 16 10.726 -6.820 6.944 1.00 73.03 H new ATOM 0 HA2 GLY A 16 9.268 -5.082 6.747 1.00 34.25 H new ATOM 0 HA3 GLY A 16 10.002 -4.263 8.111 1.00 34.25 H new ATOM 225 N ALA A 17 11.823 -4.361 5.351 1.00 2.15 N ATOM 226 CA ALA A 17 12.607 -3.552 4.378 1.00 12.12 C ATOM 227 C ALA A 17 11.770 -3.182 3.125 1.00 20.45 C ATOM 228 O ALA A 17 11.140 -4.050 2.529 1.00 21.41 O ATOM 229 CB ALA A 17 13.870 -4.323 3.972 1.00 5.15 C ATOM 0 H ALA A 17 12.018 -5.361 5.301 1.00 2.15 H new ATOM 0 HA ALA A 17 12.888 -2.617 4.863 1.00 12.12 H new ATOM 0 HB1 ALA A 17 14.444 -3.731 3.259 1.00 5.15 H new ATOM 0 HB2 ALA A 17 14.478 -4.517 4.856 1.00 5.15 H new ATOM 0 HB3 ALA A 17 13.586 -5.270 3.512 1.00 5.15 H new ATOM 235 N GLN A 18 11.825 -1.898 2.711 1.00 32.14 N ATOM 236 CA GLN A 18 10.966 -1.343 1.629 1.00 61.54 C ATOM 237 C GLN A 18 11.186 -2.030 0.244 1.00 74.04 C ATOM 238 O GLN A 18 12.321 -2.204 -0.209 1.00 74.11 O ATOM 239 CB GLN A 18 11.189 0.193 1.521 1.00 2.33 C ATOM 240 CG GLN A 18 10.421 0.897 0.381 1.00 13.31 C ATOM 241 CD GLN A 18 10.611 2.419 0.352 1.00 64.11 C ATOM 242 OE1 GLN A 18 10.794 3.063 1.378 1.00 40.33 O ATOM 243 NE2 GLN A 18 10.558 3.004 -0.820 1.00 45.12 N ATOM 0 H GLN A 18 12.464 -1.213 3.114 1.00 32.14 H new ATOM 0 HA GLN A 18 9.932 -1.552 1.905 1.00 61.54 H new ATOM 0 HB2 GLN A 18 10.901 0.652 2.467 1.00 2.33 H new ATOM 0 HB3 GLN A 18 12.255 0.379 1.387 1.00 2.33 H new ATOM 0 HG2 GLN A 18 10.745 0.482 -0.573 1.00 13.31 H new ATOM 0 HG3 GLN A 18 9.358 0.675 0.480 1.00 13.31 H new ATOM 0 HE21 GLN A 18 10.405 2.448 -1.661 1.00 45.12 H new ATOM 0 HE22 GLN A 18 10.670 4.015 -0.891 1.00 45.12 H new ATOM 252 N VAL A 19 10.068 -2.386 -0.419 1.00 60.44 N ATOM 253 CA VAL A 19 10.067 -2.969 -1.779 1.00 1.45 C ATOM 254 C VAL A 19 10.045 -1.830 -2.835 1.00 72.10 C ATOM 255 O VAL A 19 9.009 -1.179 -3.037 1.00 13.53 O ATOM 256 CB VAL A 19 8.818 -3.910 -1.994 1.00 51.14 C ATOM 257 CG1 VAL A 19 8.831 -4.600 -3.379 1.00 61.11 C ATOM 258 CG2 VAL A 19 8.688 -4.945 -0.856 1.00 74.52 C ATOM 0 H VAL A 19 9.133 -2.277 -0.025 1.00 60.44 H new ATOM 0 HA VAL A 19 10.972 -3.566 -1.895 1.00 1.45 H new ATOM 0 HB VAL A 19 7.937 -3.269 -1.967 1.00 51.14 H new ATOM 0 HG11 VAL A 19 7.951 -5.236 -3.477 1.00 61.11 H new ATOM 0 HG12 VAL A 19 8.820 -3.843 -4.163 1.00 61.11 H new ATOM 0 HG13 VAL A 19 9.731 -5.208 -3.474 1.00 61.11 H new ATOM 0 HG21 VAL A 19 7.818 -5.576 -1.036 1.00 74.52 H new ATOM 0 HG22 VAL A 19 9.585 -5.564 -0.823 1.00 74.52 H new ATOM 0 HG23 VAL A 19 8.570 -4.427 0.096 1.00 74.52 H new ATOM 268 N GLY A 20 11.201 -1.596 -3.486 1.00 24.41 N ATOM 269 CA GLY A 20 11.329 -0.551 -4.515 1.00 42.50 C ATOM 270 C GLY A 20 11.177 0.889 -3.985 1.00 53.15 C ATOM 271 O GLY A 20 11.759 1.247 -2.956 1.00 13.33 O ATOM 0 H GLY A 20 12.060 -2.119 -3.315 1.00 24.41 H new ATOM 0 HA2 GLY A 20 12.303 -0.648 -4.994 1.00 42.50 H new ATOM 0 HA3 GLY A 20 10.577 -0.723 -5.285 1.00 42.50 H new ATOM 275 N ASP A 21 10.388 1.715 -4.696 1.00 20.44 N ATOM 276 CA ASP A 21 10.173 3.146 -4.359 1.00 74.43 C ATOM 277 C ASP A 21 8.872 3.374 -3.534 1.00 25.50 C ATOM 278 O ASP A 21 8.224 2.423 -3.077 1.00 51.42 O ATOM 279 CB ASP A 21 10.144 3.978 -5.669 1.00 2.23 C ATOM 280 CG ASP A 21 9.066 3.506 -6.658 1.00 55.22 C ATOM 281 OD1 ASP A 21 7.915 3.986 -6.584 1.00 2.14 O ATOM 282 OD2 ASP A 21 9.364 2.636 -7.509 1.00 31.11 O ATOM 0 H ASP A 21 9.877 1.413 -5.525 1.00 20.44 H new ATOM 0 HA ASP A 21 11.000 3.473 -3.728 1.00 74.43 H new ATOM 0 HB2 ASP A 21 9.970 5.026 -5.423 1.00 2.23 H new ATOM 0 HB3 ASP A 21 11.120 3.921 -6.150 1.00 2.23 H new ATOM 287 N ILE A 22 8.535 4.658 -3.322 1.00 52.21 N ATOM 288 CA ILE A 22 7.268 5.096 -2.695 1.00 53.10 C ATOM 289 C ILE A 22 6.297 5.648 -3.774 1.00 22.01 C ATOM 290 O ILE A 22 6.708 6.395 -4.661 1.00 10.43 O ATOM 291 CB ILE A 22 7.550 6.206 -1.603 1.00 31.51 C ATOM 292 CG1 ILE A 22 8.410 5.620 -0.435 1.00 74.43 C ATOM 293 CG2 ILE A 22 6.247 6.854 -1.063 1.00 51.42 C ATOM 294 CD1 ILE A 22 8.793 6.619 0.655 1.00 1.01 C ATOM 0 H ILE A 22 9.142 5.435 -3.584 1.00 52.21 H new ATOM 0 HA ILE A 22 6.806 4.236 -2.211 1.00 53.10 H new ATOM 0 HB ILE A 22 8.115 7.001 -2.091 1.00 31.51 H new ATOM 0 HG12 ILE A 22 7.859 4.799 0.024 1.00 74.43 H new ATOM 0 HG13 ILE A 22 9.323 5.196 -0.854 1.00 74.43 H new ATOM 0 HG21 ILE A 22 6.498 7.608 -0.317 1.00 51.42 H new ATOM 0 HG22 ILE A 22 5.706 7.323 -1.885 1.00 51.42 H new ATOM 0 HG23 ILE A 22 5.621 6.087 -0.607 1.00 51.42 H new ATOM 0 HD11 ILE A 22 9.387 6.115 1.418 1.00 1.01 H new ATOM 0 HD12 ILE A 22 9.376 7.429 0.217 1.00 1.01 H new ATOM 0 HD13 ILE A 22 7.890 7.026 1.109 1.00 1.01 H new ATOM 306 N VAL A 23 5.011 5.276 -3.682 1.00 2.23 N ATOM 307 CA VAL A 23 3.944 5.811 -4.562 1.00 52.51 C ATOM 308 C VAL A 23 3.215 6.985 -3.852 1.00 65.23 C ATOM 309 O VAL A 23 3.113 6.997 -2.624 1.00 73.13 O ATOM 310 CB VAL A 23 2.907 4.684 -4.941 1.00 71.32 C ATOM 311 CG1 VAL A 23 1.833 5.187 -5.938 1.00 23.11 C ATOM 312 CG2 VAL A 23 3.622 3.425 -5.486 1.00 33.42 C ATOM 0 H VAL A 23 4.675 4.597 -2.999 1.00 2.23 H new ATOM 0 HA VAL A 23 4.405 6.173 -5.481 1.00 52.51 H new ATOM 0 HB VAL A 23 2.389 4.410 -4.022 1.00 71.32 H new ATOM 0 HG11 VAL A 23 1.142 4.376 -6.169 1.00 23.11 H new ATOM 0 HG12 VAL A 23 1.283 6.016 -5.493 1.00 23.11 H new ATOM 0 HG13 VAL A 23 2.317 5.523 -6.855 1.00 23.11 H new ATOM 0 HG21 VAL A 23 2.881 2.666 -5.738 1.00 33.42 H new ATOM 0 HG22 VAL A 23 4.191 3.687 -6.378 1.00 33.42 H new ATOM 0 HG23 VAL A 23 4.298 3.033 -4.726 1.00 33.42 H new ATOM 322 N THR A 24 2.720 7.977 -4.618 1.00 20.12 N ATOM 323 CA THR A 24 1.945 9.117 -4.050 1.00 11.24 C ATOM 324 C THR A 24 0.706 9.436 -4.913 1.00 25.12 C ATOM 325 O THR A 24 0.800 9.520 -6.143 1.00 74.11 O ATOM 326 CB THR A 24 2.823 10.413 -3.917 1.00 42.34 C ATOM 327 OG1 THR A 24 4.015 10.120 -3.165 1.00 63.20 O ATOM 328 CG2 THR A 24 2.067 11.574 -3.226 1.00 24.51 C ATOM 0 H THR A 24 2.838 8.019 -5.630 1.00 20.12 H new ATOM 0 HA THR A 24 1.624 8.807 -3.056 1.00 11.24 H new ATOM 0 HB THR A 24 3.074 10.732 -4.929 1.00 42.34 H new ATOM 0 HG1 THR A 24 4.560 10.931 -3.086 1.00 63.20 H new ATOM 0 HG21 THR A 24 2.719 12.445 -3.160 1.00 24.51 H new ATOM 0 HG22 THR A 24 1.181 11.828 -3.807 1.00 24.51 H new ATOM 0 HG23 THR A 24 1.768 11.268 -2.224 1.00 24.51 H new ATOM 336 N VAL A 25 -0.454 9.617 -4.252 1.00 73.04 N ATOM 337 CA VAL A 25 -1.711 10.071 -4.901 1.00 51.44 C ATOM 338 C VAL A 25 -2.207 11.383 -4.240 1.00 71.31 C ATOM 339 O VAL A 25 -1.757 11.734 -3.150 1.00 20.23 O ATOM 340 CB VAL A 25 -2.834 8.959 -4.833 1.00 43.34 C ATOM 341 CG1 VAL A 25 -2.418 7.691 -5.623 1.00 2.51 C ATOM 342 CG2 VAL A 25 -3.192 8.600 -3.369 1.00 34.34 C ATOM 0 H VAL A 25 -0.551 9.453 -3.250 1.00 73.04 H new ATOM 0 HA VAL A 25 -1.498 10.260 -5.953 1.00 51.44 H new ATOM 0 HB VAL A 25 -3.727 9.373 -5.302 1.00 43.34 H new ATOM 0 HG11 VAL A 25 -3.210 6.945 -5.557 1.00 2.51 H new ATOM 0 HG12 VAL A 25 -2.251 7.952 -6.668 1.00 2.51 H new ATOM 0 HG13 VAL A 25 -1.500 7.283 -5.200 1.00 2.51 H new ATOM 0 HG21 VAL A 25 -3.967 7.833 -3.361 1.00 34.34 H new ATOM 0 HG22 VAL A 25 -2.305 8.225 -2.859 1.00 34.34 H new ATOM 0 HG23 VAL A 25 -3.557 9.489 -2.855 1.00 34.34 H new ATOM 352 N THR A 26 -3.134 12.107 -4.898 1.00 53.13 N ATOM 353 CA THR A 26 -3.681 13.391 -4.374 1.00 2.02 C ATOM 354 C THR A 26 -5.224 13.449 -4.501 1.00 24.25 C ATOM 355 O THR A 26 -5.812 12.859 -5.420 1.00 23.42 O ATOM 356 CB THR A 26 -3.041 14.640 -5.083 1.00 43.14 C ATOM 357 OG1 THR A 26 -3.571 15.860 -4.520 1.00 32.44 O ATOM 358 CG2 THR A 26 -3.265 14.633 -6.611 1.00 23.02 C ATOM 0 H THR A 26 -3.526 11.829 -5.798 1.00 53.13 H new ATOM 0 HA THR A 26 -3.416 13.426 -3.317 1.00 2.02 H new ATOM 0 HB THR A 26 -1.966 14.586 -4.909 1.00 43.14 H new ATOM 0 HG1 THR A 26 -3.054 16.624 -4.850 1.00 32.44 H new ATOM 0 HG21 THR A 26 -2.803 15.517 -7.051 1.00 23.02 H new ATOM 0 HG22 THR A 26 -2.816 13.737 -7.040 1.00 23.02 H new ATOM 0 HG23 THR A 26 -4.334 14.640 -6.822 1.00 23.02 H new ATOM 366 N GLY A 27 -5.861 14.165 -3.558 1.00 62.32 N ATOM 367 CA GLY A 27 -7.323 14.285 -3.496 1.00 4.23 C ATOM 368 C GLY A 27 -7.779 15.242 -2.389 1.00 33.05 C ATOM 369 O GLY A 27 -7.376 16.408 -2.380 1.00 40.52 O ATOM 0 H GLY A 27 -5.375 14.675 -2.820 1.00 62.32 H new ATOM 0 HA2 GLY A 27 -7.698 14.638 -4.457 1.00 4.23 H new ATOM 0 HA3 GLY A 27 -7.760 13.301 -3.326 1.00 4.23 H new ATOM 373 N LYS A 28 -8.593 14.750 -1.431 1.00 33.45 N ATOM 374 CA LYS A 28 -9.203 15.609 -0.383 1.00 51.41 C ATOM 375 C LYS A 28 -9.604 14.787 0.866 1.00 23.25 C ATOM 376 O LYS A 28 -9.953 13.614 0.748 1.00 42.14 O ATOM 377 CB LYS A 28 -10.449 16.334 -0.972 1.00 33.34 C ATOM 378 CG LYS A 28 -11.162 17.320 -0.019 1.00 4.15 C ATOM 379 CD LYS A 28 -10.280 18.529 0.369 1.00 23.10 C ATOM 380 CE LYS A 28 -10.983 19.476 1.352 1.00 22.51 C ATOM 381 NZ LYS A 28 -12.302 19.947 0.839 1.00 35.02 N ATOM 0 H LYS A 28 -8.845 13.764 -1.358 1.00 33.45 H new ATOM 0 HA LYS A 28 -8.462 16.344 -0.067 1.00 51.41 H new ATOM 0 HB2 LYS A 28 -10.142 16.878 -1.865 1.00 33.34 H new ATOM 0 HB3 LYS A 28 -11.169 15.580 -1.290 1.00 33.34 H new ATOM 0 HG2 LYS A 28 -12.074 17.680 -0.494 1.00 4.15 H new ATOM 0 HG3 LYS A 28 -11.461 16.790 0.885 1.00 4.15 H new ATOM 0 HD2 LYS A 28 -9.352 18.170 0.815 1.00 23.10 H new ATOM 0 HD3 LYS A 28 -10.008 19.081 -0.531 1.00 23.10 H new ATOM 0 HE2 LYS A 28 -11.127 18.966 2.304 1.00 22.51 H new ATOM 0 HE3 LYS A 28 -10.342 20.337 1.545 1.00 22.51 H new ATOM 0 HZ1 LYS A 28 -12.463 20.928 1.145 1.00 35.02 H new ATOM 0 HZ2 LYS A 28 -12.306 19.903 -0.200 1.00 35.02 H new ATOM 0 HZ3 LYS A 28 -13.058 19.339 1.214 1.00 35.02 H new ATOM 395 N THR A 29 -9.549 15.433 2.051 1.00 63.23 N ATOM 396 CA THR A 29 -10.009 14.858 3.344 1.00 44.31 C ATOM 397 C THR A 29 -11.443 14.262 3.281 1.00 32.20 C ATOM 398 O THR A 29 -11.694 13.183 3.835 1.00 52.24 O ATOM 399 CB THR A 29 -9.972 15.945 4.467 1.00 44.35 C ATOM 400 OG1 THR A 29 -10.784 17.069 4.073 1.00 21.11 O ATOM 401 CG2 THR A 29 -8.540 16.429 4.761 1.00 40.15 C ATOM 0 H THR A 29 -9.180 16.380 2.143 1.00 63.23 H new ATOM 0 HA THR A 29 -9.321 14.043 3.567 1.00 44.31 H new ATOM 0 HB THR A 29 -10.362 15.491 5.378 1.00 44.35 H new ATOM 0 HG1 THR A 29 -10.763 17.750 4.777 1.00 21.11 H new ATOM 0 HG21 THR A 29 -8.565 17.183 5.548 1.00 40.15 H new ATOM 0 HG22 THR A 29 -7.931 15.586 5.086 1.00 40.15 H new ATOM 0 HG23 THR A 29 -8.109 16.861 3.858 1.00 40.15 H new ATOM 409 N ASP A 30 -12.364 14.973 2.602 1.00 71.33 N ATOM 410 CA ASP A 30 -13.772 14.534 2.430 1.00 4.22 C ATOM 411 C ASP A 30 -13.885 13.231 1.598 1.00 60.10 C ATOM 412 O ASP A 30 -14.773 12.401 1.833 1.00 34.10 O ATOM 413 CB ASP A 30 -14.597 15.647 1.732 1.00 21.10 C ATOM 414 CG ASP A 30 -14.613 16.972 2.510 1.00 23.31 C ATOM 415 OD1 ASP A 30 -15.433 17.114 3.440 1.00 71.40 O ATOM 416 OD2 ASP A 30 -13.805 17.868 2.201 1.00 41.11 O ATOM 0 H ASP A 30 -12.158 15.867 2.156 1.00 71.33 H new ATOM 0 HA ASP A 30 -14.165 14.336 3.427 1.00 4.22 H new ATOM 0 HB2 ASP A 30 -14.188 15.823 0.737 1.00 21.10 H new ATOM 0 HB3 ASP A 30 -15.622 15.300 1.598 1.00 21.10 H new ATOM 421 N ASP A 31 -12.966 13.064 0.635 1.00 65.13 N ATOM 422 CA ASP A 31 -13.050 12.009 -0.393 1.00 33.42 C ATOM 423 C ASP A 31 -12.082 10.831 -0.125 1.00 32.01 C ATOM 424 O ASP A 31 -11.009 10.995 0.471 1.00 25.34 O ATOM 425 CB ASP A 31 -12.771 12.627 -1.781 1.00 12.44 C ATOM 426 CG ASP A 31 -13.785 13.725 -2.146 1.00 42.34 C ATOM 427 OD1 ASP A 31 -13.544 14.907 -1.815 1.00 14.40 O ATOM 428 OD2 ASP A 31 -14.825 13.407 -2.762 1.00 43.31 O ATOM 0 H ASP A 31 -12.141 13.657 0.545 1.00 65.13 H new ATOM 0 HA ASP A 31 -14.058 11.595 -0.360 1.00 33.42 H new ATOM 0 HB2 ASP A 31 -11.765 13.046 -1.794 1.00 12.44 H new ATOM 0 HB3 ASP A 31 -12.800 11.843 -2.538 1.00 12.44 H new ATOM 433 N SER A 32 -12.496 9.637 -0.572 1.00 2.42 N ATOM 434 CA SER A 32 -11.671 8.412 -0.555 1.00 14.33 C ATOM 435 C SER A 32 -11.211 8.059 -1.987 1.00 60.01 C ATOM 436 O SER A 32 -11.871 8.408 -2.971 1.00 45.41 O ATOM 437 CB SER A 32 -12.469 7.230 0.055 1.00 32.12 C ATOM 438 OG SER A 32 -13.652 6.949 -0.686 1.00 23.25 O ATOM 0 H SER A 32 -13.427 9.489 -0.962 1.00 2.42 H new ATOM 0 HA SER A 32 -10.792 8.595 0.063 1.00 14.33 H new ATOM 0 HB2 SER A 32 -11.838 6.342 0.082 1.00 32.12 H new ATOM 0 HB3 SER A 32 -12.734 7.464 1.086 1.00 32.12 H new ATOM 0 HG SER A 32 -14.126 6.198 -0.272 1.00 23.25 H new ATOM 444 N THR A 33 -10.067 7.373 -2.091 1.00 63.33 N ATOM 445 CA THR A 33 -9.511 6.898 -3.386 1.00 3.31 C ATOM 446 C THR A 33 -9.186 5.392 -3.329 1.00 71.44 C ATOM 447 O THR A 33 -8.978 4.825 -2.248 1.00 1.03 O ATOM 448 CB THR A 33 -8.222 7.694 -3.794 1.00 23.33 C ATOM 449 OG1 THR A 33 -7.790 7.302 -5.109 1.00 53.41 O ATOM 450 CG2 THR A 33 -7.063 7.485 -2.800 1.00 35.31 C ATOM 0 H THR A 33 -9.492 7.126 -1.286 1.00 63.33 H new ATOM 0 HA THR A 33 -10.278 7.073 -4.140 1.00 3.31 H new ATOM 0 HB THR A 33 -8.488 8.751 -3.784 1.00 23.33 H new ATOM 0 HG1 THR A 33 -6.986 7.807 -5.353 1.00 53.41 H new ATOM 0 HG21 THR A 33 -6.195 8.057 -3.128 1.00 35.31 H new ATOM 0 HG22 THR A 33 -7.368 7.823 -1.810 1.00 35.31 H new ATOM 0 HG23 THR A 33 -6.806 6.427 -2.759 1.00 35.31 H new ATOM 458 N THR A 34 -9.146 4.745 -4.506 1.00 40.35 N ATOM 459 CA THR A 34 -8.787 3.314 -4.634 1.00 73.32 C ATOM 460 C THR A 34 -7.412 3.161 -5.332 1.00 43.11 C ATOM 461 O THR A 34 -7.236 3.550 -6.494 1.00 61.32 O ATOM 462 CB THR A 34 -9.880 2.503 -5.421 1.00 73.41 C ATOM 463 OG1 THR A 34 -10.062 3.051 -6.740 1.00 42.30 O ATOM 464 CG2 THR A 34 -11.233 2.494 -4.681 1.00 1.52 C ATOM 0 H THR A 34 -9.360 5.194 -5.396 1.00 40.35 H new ATOM 0 HA THR A 34 -8.728 2.904 -3.626 1.00 73.32 H new ATOM 0 HB THR A 34 -9.524 1.475 -5.495 1.00 73.41 H new ATOM 0 HG1 THR A 34 -9.197 3.343 -7.095 1.00 42.30 H new ATOM 0 HG21 THR A 34 -11.960 1.923 -5.259 1.00 1.52 H new ATOM 0 HG22 THR A 34 -11.108 2.035 -3.700 1.00 1.52 H new ATOM 0 HG23 THR A 34 -11.589 3.517 -4.560 1.00 1.52 H new ATOM 472 N TYR A 35 -6.433 2.625 -4.591 1.00 12.03 N ATOM 473 CA TYR A 35 -5.087 2.305 -5.111 1.00 31.11 C ATOM 474 C TYR A 35 -5.023 0.820 -5.527 1.00 15.21 C ATOM 475 O TYR A 35 -5.392 -0.043 -4.737 1.00 52.41 O ATOM 476 CB TYR A 35 -4.024 2.595 -4.018 1.00 73.43 C ATOM 477 CG TYR A 35 -2.601 2.152 -4.396 1.00 32.13 C ATOM 478 CD1 TYR A 35 -1.849 2.878 -5.322 1.00 24.20 C ATOM 479 CD2 TYR A 35 -2.022 0.992 -3.855 1.00 35.41 C ATOM 480 CE1 TYR A 35 -0.585 2.473 -5.687 1.00 45.51 C ATOM 481 CE2 TYR A 35 -0.757 0.587 -4.226 1.00 54.34 C ATOM 482 CZ TYR A 35 -0.044 1.333 -5.141 1.00 21.35 C ATOM 483 OH TYR A 35 1.218 0.936 -5.517 1.00 21.11 O ATOM 0 H TYR A 35 -6.549 2.397 -3.604 1.00 12.03 H new ATOM 0 HA TYR A 35 -4.882 2.925 -5.984 1.00 31.11 H new ATOM 0 HB2 TYR A 35 -4.017 3.664 -3.808 1.00 73.43 H new ATOM 0 HB3 TYR A 35 -4.318 2.091 -3.097 1.00 73.43 H new ATOM 0 HD1 TYR A 35 -2.266 3.773 -5.759 1.00 24.20 H new ATOM 0 HD2 TYR A 35 -2.577 0.407 -3.136 1.00 35.41 H new ATOM 0 HE1 TYR A 35 -0.018 3.051 -6.402 1.00 45.51 H new ATOM 0 HE2 TYR A 35 -0.327 -0.309 -3.803 1.00 54.34 H new ATOM 0 HH TYR A 35 1.390 1.222 -6.439 1.00 21.11 H new ATOM 493 N THR A 36 -4.528 0.517 -6.741 1.00 21.51 N ATOM 494 CA THR A 36 -4.334 -0.883 -7.187 1.00 23.22 C ATOM 495 C THR A 36 -2.983 -1.431 -6.664 1.00 45.44 C ATOM 496 O THR A 36 -1.916 -0.919 -7.029 1.00 31.31 O ATOM 497 CB THR A 36 -4.389 -1.011 -8.747 1.00 71.43 C ATOM 498 OG1 THR A 36 -5.653 -0.526 -9.232 1.00 10.44 O ATOM 499 CG2 THR A 36 -4.195 -2.466 -9.229 1.00 61.21 C ATOM 0 H THR A 36 -4.255 1.217 -7.431 1.00 21.51 H new ATOM 0 HA THR A 36 -5.152 -1.473 -6.773 1.00 23.22 H new ATOM 0 HB THR A 36 -3.568 -0.413 -9.143 1.00 71.43 H new ATOM 0 HG1 THR A 36 -5.682 -0.607 -10.208 1.00 10.44 H new ATOM 0 HG21 THR A 36 -4.242 -2.498 -10.318 1.00 61.21 H new ATOM 0 HG22 THR A 36 -3.224 -2.833 -8.897 1.00 61.21 H new ATOM 0 HG23 THR A 36 -4.982 -3.095 -8.813 1.00 61.21 H new ATOM 507 N VAL A 37 -3.047 -2.460 -5.798 1.00 55.14 N ATOM 508 CA VAL A 37 -1.855 -3.143 -5.266 1.00 10.01 C ATOM 509 C VAL A 37 -1.271 -4.099 -6.335 1.00 74.22 C ATOM 510 O VAL A 37 -1.933 -5.061 -6.755 1.00 51.04 O ATOM 511 CB VAL A 37 -2.189 -3.946 -3.950 1.00 0.24 C ATOM 512 CG1 VAL A 37 -0.944 -4.655 -3.363 1.00 25.30 C ATOM 513 CG2 VAL A 37 -2.844 -3.028 -2.894 1.00 74.54 C ATOM 0 H VAL A 37 -3.927 -2.840 -5.448 1.00 55.14 H new ATOM 0 HA VAL A 37 -1.116 -2.382 -5.017 1.00 10.01 H new ATOM 0 HB VAL A 37 -2.902 -4.723 -4.225 1.00 0.24 H new ATOM 0 HG11 VAL A 37 -1.225 -5.194 -2.458 1.00 25.30 H new ATOM 0 HG12 VAL A 37 -0.546 -5.358 -4.095 1.00 25.30 H new ATOM 0 HG13 VAL A 37 -0.183 -3.913 -3.122 1.00 25.30 H new ATOM 0 HG21 VAL A 37 -3.064 -3.606 -1.996 1.00 74.54 H new ATOM 0 HG22 VAL A 37 -2.161 -2.216 -2.644 1.00 74.54 H new ATOM 0 HG23 VAL A 37 -3.769 -2.614 -3.295 1.00 74.54 H new ATOM 523 N THR A 38 -0.035 -3.818 -6.773 1.00 41.14 N ATOM 524 CA THR A 38 0.664 -4.611 -7.801 1.00 10.24 C ATOM 525 C THR A 38 1.656 -5.579 -7.126 1.00 13.13 C ATOM 526 O THR A 38 2.596 -5.142 -6.453 1.00 44.40 O ATOM 527 CB THR A 38 1.417 -3.678 -8.817 1.00 22.30 C ATOM 528 OG1 THR A 38 2.364 -2.828 -8.134 1.00 55.41 O ATOM 529 CG2 THR A 38 0.428 -2.799 -9.606 1.00 54.24 C ATOM 0 H THR A 38 0.512 -3.031 -6.424 1.00 41.14 H new ATOM 0 HA THR A 38 -0.076 -5.186 -8.358 1.00 10.24 H new ATOM 0 HB THR A 38 1.950 -4.326 -9.513 1.00 22.30 H new ATOM 0 HG1 THR A 38 2.788 -3.329 -7.407 1.00 55.41 H new ATOM 0 HG21 THR A 38 0.979 -2.165 -10.300 1.00 54.24 H new ATOM 0 HG22 THR A 38 -0.260 -3.435 -10.163 1.00 54.24 H new ATOM 0 HG23 THR A 38 -0.136 -2.174 -8.913 1.00 54.24 H new ATOM 537 N ILE A 39 1.421 -6.893 -7.282 1.00 74.11 N ATOM 538 CA ILE A 39 2.247 -7.947 -6.645 1.00 15.14 C ATOM 539 C ILE A 39 3.482 -8.286 -7.541 1.00 43.35 C ATOM 540 O ILE A 39 3.317 -8.888 -8.612 1.00 22.55 O ATOM 541 CB ILE A 39 1.389 -9.245 -6.366 1.00 52.42 C ATOM 542 CG1 ILE A 39 0.059 -8.887 -5.620 1.00 1.34 C ATOM 543 CG2 ILE A 39 2.197 -10.304 -5.573 1.00 52.34 C ATOM 544 CD1 ILE A 39 0.238 -8.155 -4.295 1.00 63.25 C ATOM 0 H ILE A 39 0.657 -7.259 -7.850 1.00 74.11 H new ATOM 0 HA ILE A 39 2.606 -7.568 -5.688 1.00 15.14 H new ATOM 0 HB ILE A 39 1.133 -9.681 -7.332 1.00 52.42 H new ATOM 0 HG12 ILE A 39 -0.554 -8.271 -6.278 1.00 1.34 H new ATOM 0 HG13 ILE A 39 -0.496 -9.807 -5.437 1.00 1.34 H new ATOM 0 HG21 ILE A 39 1.575 -11.182 -5.400 1.00 52.34 H new ATOM 0 HG22 ILE A 39 3.079 -10.592 -6.145 1.00 52.34 H new ATOM 0 HG23 ILE A 39 2.506 -9.884 -4.616 1.00 52.34 H new ATOM 0 HD11 ILE A 39 -0.739 -7.952 -3.857 1.00 63.25 H new ATOM 0 HD12 ILE A 39 0.820 -8.775 -3.613 1.00 63.25 H new ATOM 0 HD13 ILE A 39 0.761 -7.214 -4.467 1.00 63.25 H new ATOM 556 N PRO A 40 4.737 -7.883 -7.133 1.00 13.25 N ATOM 557 CA PRO A 40 5.964 -8.095 -7.954 1.00 11.03 C ATOM 558 C PRO A 40 6.425 -9.578 -8.006 1.00 64.22 C ATOM 559 O PRO A 40 6.050 -10.387 -7.152 1.00 12.21 O ATOM 560 CB PRO A 40 7.031 -7.182 -7.268 1.00 0.14 C ATOM 561 CG PRO A 40 6.270 -6.359 -6.259 1.00 42.04 C ATOM 562 CD PRO A 40 5.073 -7.195 -5.867 1.00 62.23 C ATOM 0 HA PRO A 40 5.792 -7.845 -9.001 1.00 11.03 H new ATOM 0 HB2 PRO A 40 7.805 -7.778 -6.784 1.00 0.14 H new ATOM 0 HB3 PRO A 40 7.530 -6.545 -7.998 1.00 0.14 H new ATOM 0 HG2 PRO A 40 6.890 -6.132 -5.392 1.00 42.04 H new ATOM 0 HG3 PRO A 40 5.959 -5.406 -6.686 1.00 42.04 H new ATOM 0 HD2 PRO A 40 5.314 -7.901 -5.072 1.00 62.23 H new ATOM 0 HD3 PRO A 40 4.248 -6.580 -5.508 1.00 62.23 H new ATOM 570 N ASP A 41 7.265 -9.899 -9.008 1.00 23.50 N ATOM 571 CA ASP A 41 7.755 -11.275 -9.256 1.00 75.53 C ATOM 572 C ASP A 41 8.702 -11.756 -8.126 1.00 44.41 C ATOM 573 O ASP A 41 9.756 -11.149 -7.888 1.00 21.54 O ATOM 574 CB ASP A 41 8.470 -11.337 -10.624 1.00 12.52 C ATOM 575 CG ASP A 41 7.561 -10.866 -11.770 1.00 41.20 C ATOM 576 OD1 ASP A 41 6.754 -11.675 -12.273 1.00 74.01 O ATOM 577 OD2 ASP A 41 7.631 -9.674 -12.150 1.00 22.12 O ATOM 0 H ASP A 41 7.626 -9.213 -9.671 1.00 23.50 H new ATOM 0 HA ASP A 41 6.895 -11.945 -9.268 1.00 75.53 H new ATOM 0 HB2 ASP A 41 9.366 -10.717 -10.593 1.00 12.52 H new ATOM 0 HB3 ASP A 41 8.796 -12.359 -10.817 1.00 12.52 H new ATOM 582 N GLY A 42 8.298 -12.842 -7.433 1.00 71.44 N ATOM 583 CA GLY A 42 9.053 -13.386 -6.291 1.00 1.13 C ATOM 584 C GLY A 42 8.545 -12.889 -4.937 1.00 12.43 C ATOM 585 O GLY A 42 9.005 -13.359 -3.891 1.00 72.43 O ATOM 0 H GLY A 42 7.447 -13.360 -7.649 1.00 71.44 H new ATOM 0 HA2 GLY A 42 8.999 -14.474 -6.314 1.00 1.13 H new ATOM 0 HA3 GLY A 42 10.104 -13.117 -6.398 1.00 1.13 H new ATOM 589 N TYR A 43 7.601 -11.922 -4.963 1.00 75.01 N ATOM 590 CA TYR A 43 6.980 -11.336 -3.755 1.00 54.10 C ATOM 591 C TYR A 43 5.520 -11.827 -3.630 1.00 21.52 C ATOM 592 O TYR A 43 4.788 -11.868 -4.622 1.00 0.05 O ATOM 593 CB TYR A 43 6.998 -9.787 -3.829 1.00 31.30 C ATOM 594 CG TYR A 43 8.394 -9.149 -3.930 1.00 34.34 C ATOM 595 CD1 TYR A 43 9.130 -9.184 -5.116 1.00 60.12 C ATOM 596 CD2 TYR A 43 8.968 -8.506 -2.841 1.00 33.11 C ATOM 597 CE1 TYR A 43 10.378 -8.603 -5.201 1.00 33.23 C ATOM 598 CE2 TYR A 43 10.215 -7.923 -2.921 1.00 72.52 C ATOM 599 CZ TYR A 43 10.916 -7.973 -4.101 1.00 74.32 C ATOM 600 OH TYR A 43 12.165 -7.390 -4.182 1.00 1.51 O ATOM 0 H TYR A 43 7.246 -11.523 -5.832 1.00 75.01 H new ATOM 0 HA TYR A 43 7.552 -11.653 -2.883 1.00 54.10 H new ATOM 0 HB2 TYR A 43 6.411 -9.474 -4.692 1.00 31.30 H new ATOM 0 HB3 TYR A 43 6.499 -9.392 -2.944 1.00 31.30 H new ATOM 0 HD1 TYR A 43 8.714 -9.675 -5.983 1.00 60.12 H new ATOM 0 HD2 TYR A 43 8.424 -8.462 -1.909 1.00 33.11 H new ATOM 0 HE1 TYR A 43 10.932 -8.642 -6.127 1.00 33.23 H new ATOM 0 HE2 TYR A 43 10.639 -7.429 -2.059 1.00 72.52 H new ATOM 0 HH TYR A 43 12.395 -6.988 -3.318 1.00 1.51 H new ATOM 610 N GLU A 44 5.107 -12.188 -2.406 1.00 1.52 N ATOM 611 CA GLU A 44 3.746 -12.701 -2.115 1.00 11.34 C ATOM 612 C GLU A 44 3.008 -11.748 -1.160 1.00 62.13 C ATOM 613 O GLU A 44 3.589 -11.307 -0.166 1.00 63.13 O ATOM 614 CB GLU A 44 3.838 -14.124 -1.488 1.00 61.01 C ATOM 615 CG GLU A 44 4.534 -15.183 -2.376 1.00 65.53 C ATOM 616 CD GLU A 44 3.880 -15.332 -3.763 1.00 33.12 C ATOM 617 OE1 GLU A 44 2.723 -15.806 -3.836 1.00 64.33 O ATOM 618 OE2 GLU A 44 4.507 -14.975 -4.788 1.00 70.44 O ATOM 0 H GLU A 44 5.705 -12.135 -1.582 1.00 1.52 H new ATOM 0 HA GLU A 44 3.186 -12.760 -3.048 1.00 11.34 H new ATOM 0 HB2 GLU A 44 4.375 -14.054 -0.542 1.00 61.01 H new ATOM 0 HB3 GLU A 44 2.830 -14.470 -1.258 1.00 61.01 H new ATOM 0 HG2 GLU A 44 5.582 -14.911 -2.502 1.00 65.53 H new ATOM 0 HG3 GLU A 44 4.514 -16.146 -1.866 1.00 65.53 H new ATOM 625 N TYR A 45 1.728 -11.430 -1.465 1.00 13.03 N ATOM 626 CA TYR A 45 0.889 -10.570 -0.598 1.00 0.44 C ATOM 627 C TYR A 45 0.628 -11.248 0.770 1.00 4.25 C ATOM 628 O TYR A 45 -0.045 -12.282 0.847 1.00 2.03 O ATOM 629 CB TYR A 45 -0.456 -10.215 -1.295 1.00 55.20 C ATOM 630 CG TYR A 45 -1.404 -9.379 -0.416 1.00 33.31 C ATOM 631 CD1 TYR A 45 -1.144 -8.027 -0.150 1.00 4.35 C ATOM 632 CD2 TYR A 45 -2.528 -9.953 0.191 1.00 12.24 C ATOM 633 CE1 TYR A 45 -1.972 -7.291 0.679 1.00 20.21 C ATOM 634 CE2 TYR A 45 -3.344 -9.221 1.022 1.00 44.35 C ATOM 635 CZ TYR A 45 -3.066 -7.897 1.263 1.00 73.21 C ATOM 636 OH TYR A 45 -3.878 -7.179 2.111 1.00 32.42 O ATOM 0 H TYR A 45 1.253 -11.757 -2.307 1.00 13.03 H new ATOM 0 HA TYR A 45 1.436 -9.644 -0.422 1.00 0.44 H new ATOM 0 HB2 TYR A 45 -0.246 -9.666 -2.213 1.00 55.20 H new ATOM 0 HB3 TYR A 45 -0.960 -11.137 -1.584 1.00 55.20 H new ATOM 0 HD1 TYR A 45 -0.284 -7.553 -0.599 1.00 4.35 H new ATOM 0 HD2 TYR A 45 -2.759 -10.991 0.003 1.00 12.24 H new ATOM 0 HE1 TYR A 45 -1.763 -6.248 0.868 1.00 20.21 H new ATOM 0 HE2 TYR A 45 -4.202 -9.686 1.484 1.00 44.35 H new ATOM 0 HH TYR A 45 -4.603 -7.754 2.435 1.00 32.42 H new ATOM 646 N VAL A 46 1.167 -10.646 1.841 1.00 22.05 N ATOM 647 CA VAL A 46 0.999 -11.147 3.224 1.00 45.22 C ATOM 648 C VAL A 46 -0.142 -10.393 3.946 1.00 24.13 C ATOM 649 O VAL A 46 -1.049 -11.013 4.515 1.00 71.31 O ATOM 650 CB VAL A 46 2.342 -11.005 4.033 1.00 10.44 C ATOM 651 CG1 VAL A 46 2.211 -11.530 5.484 1.00 22.11 C ATOM 652 CG2 VAL A 46 3.496 -11.713 3.293 1.00 45.13 C ATOM 0 H VAL A 46 1.732 -9.799 1.779 1.00 22.05 H new ATOM 0 HA VAL A 46 0.735 -12.203 3.170 1.00 45.22 H new ATOM 0 HB VAL A 46 2.569 -9.941 4.101 1.00 10.44 H new ATOM 0 HG11 VAL A 46 3.163 -11.411 6.001 1.00 22.11 H new ATOM 0 HG12 VAL A 46 1.440 -10.964 6.007 1.00 22.11 H new ATOM 0 HG13 VAL A 46 1.938 -12.585 5.466 1.00 22.11 H new ATOM 0 HG21 VAL A 46 4.417 -11.605 3.866 1.00 45.13 H new ATOM 0 HG22 VAL A 46 3.261 -12.771 3.180 1.00 45.13 H new ATOM 0 HG23 VAL A 46 3.627 -11.264 2.309 1.00 45.13 H new ATOM 662 N GLY A 47 -0.084 -9.052 3.901 1.00 72.12 N ATOM 663 CA GLY A 47 -1.077 -8.203 4.579 1.00 15.31 C ATOM 664 C GLY A 47 -0.951 -6.725 4.227 1.00 73.41 C ATOM 665 O GLY A 47 -0.164 -6.355 3.353 1.00 72.11 O ATOM 0 H GLY A 47 0.639 -8.533 3.403 1.00 72.12 H new ATOM 0 HA2 GLY A 47 -2.078 -8.547 4.317 1.00 15.31 H new ATOM 0 HA3 GLY A 47 -0.971 -8.322 5.657 1.00 15.31 H new ATOM 669 N THR A 48 -1.743 -5.877 4.904 1.00 40.43 N ATOM 670 CA THR A 48 -1.722 -4.404 4.714 1.00 24.24 C ATOM 671 C THR A 48 -1.832 -3.678 6.074 1.00 22.10 C ATOM 672 O THR A 48 -2.564 -4.112 6.975 1.00 72.44 O ATOM 673 CB THR A 48 -2.874 -3.930 3.750 1.00 2.22 C ATOM 674 OG1 THR A 48 -2.637 -4.429 2.425 1.00 34.43 O ATOM 675 CG2 THR A 48 -3.041 -2.391 3.683 1.00 24.43 C ATOM 0 H THR A 48 -2.420 -6.187 5.601 1.00 40.43 H new ATOM 0 HA THR A 48 -0.769 -4.146 4.252 1.00 24.24 H new ATOM 0 HB THR A 48 -3.798 -4.334 4.165 1.00 2.22 H new ATOM 0 HG1 THR A 48 -3.026 -5.324 2.338 1.00 34.43 H new ATOM 0 HG21 THR A 48 -3.853 -2.143 2.999 1.00 24.43 H new ATOM 0 HG22 THR A 48 -3.273 -2.007 4.676 1.00 24.43 H new ATOM 0 HG23 THR A 48 -2.115 -1.940 3.326 1.00 24.43 H new ATOM 683 N ASP A 49 -1.099 -2.563 6.192 1.00 2.34 N ATOM 684 CA ASP A 49 -1.062 -1.700 7.388 1.00 42.43 C ATOM 685 C ASP A 49 -1.460 -0.252 7.006 1.00 41.04 C ATOM 686 O ASP A 49 -1.250 0.172 5.866 1.00 61.24 O ATOM 687 CB ASP A 49 0.366 -1.743 7.997 1.00 54.11 C ATOM 688 CG ASP A 49 0.546 -0.830 9.222 1.00 61.43 C ATOM 689 OD1 ASP A 49 -0.070 -1.106 10.270 1.00 43.21 O ATOM 690 OD2 ASP A 49 1.302 0.165 9.141 1.00 4.23 O ATOM 0 H ASP A 49 -0.498 -2.224 5.440 1.00 2.34 H new ATOM 0 HA ASP A 49 -1.774 -2.059 8.131 1.00 42.43 H new ATOM 0 HB2 ASP A 49 0.598 -2.769 8.283 1.00 54.11 H new ATOM 0 HB3 ASP A 49 1.086 -1.454 7.231 1.00 54.11 H new ATOM 695 N GLY A 50 -2.049 0.491 7.959 1.00 62.33 N ATOM 696 CA GLY A 50 -2.443 1.887 7.729 1.00 63.41 C ATOM 697 C GLY A 50 -3.840 2.038 7.113 1.00 20.03 C ATOM 698 O GLY A 50 -4.797 2.385 7.815 1.00 73.25 O ATOM 0 H GLY A 50 -2.262 0.146 8.895 1.00 62.33 H new ATOM 0 HA2 GLY A 50 -2.413 2.425 8.677 1.00 63.41 H new ATOM 0 HA3 GLY A 50 -1.712 2.358 7.072 1.00 63.41 H new ATOM 702 N GLY A 51 -3.957 1.769 5.800 1.00 25.32 N ATOM 703 CA GLY A 51 -5.230 1.943 5.071 1.00 13.25 C ATOM 704 C GLY A 51 -6.154 0.720 5.132 1.00 64.11 C ATOM 705 O GLY A 51 -5.797 -0.320 5.698 1.00 53.42 O ATOM 0 H GLY A 51 -3.188 1.431 5.222 1.00 25.32 H new ATOM 0 HA2 GLY A 51 -5.757 2.805 5.481 1.00 13.25 H new ATOM 0 HA3 GLY A 51 -5.012 2.169 4.027 1.00 13.25 H new ATOM 709 N VAL A 52 -7.343 0.847 4.513 1.00 74.25 N ATOM 710 CA VAL A 52 -8.356 -0.231 4.489 1.00 1.24 C ATOM 711 C VAL A 52 -8.207 -1.056 3.192 1.00 33.30 C ATOM 712 O VAL A 52 -8.547 -0.575 2.113 1.00 15.14 O ATOM 713 CB VAL A 52 -9.823 0.340 4.579 1.00 55.04 C ATOM 714 CG1 VAL A 52 -10.873 -0.800 4.552 1.00 12.11 C ATOM 715 CG2 VAL A 52 -10.001 1.231 5.830 1.00 2.13 C ATOM 0 H VAL A 52 -7.629 1.692 4.018 1.00 74.25 H new ATOM 0 HA VAL A 52 -8.186 -0.864 5.360 1.00 1.24 H new ATOM 0 HB VAL A 52 -9.988 0.964 3.700 1.00 55.04 H new ATOM 0 HG11 VAL A 52 -11.874 -0.374 4.616 1.00 12.11 H new ATOM 0 HG12 VAL A 52 -10.776 -1.362 3.623 1.00 12.11 H new ATOM 0 HG13 VAL A 52 -10.708 -1.467 5.398 1.00 12.11 H new ATOM 0 HG21 VAL A 52 -11.022 1.610 5.864 1.00 2.13 H new ATOM 0 HG22 VAL A 52 -9.801 0.644 6.726 1.00 2.13 H new ATOM 0 HG23 VAL A 52 -9.305 2.068 5.782 1.00 2.13 H new ATOM 725 N VAL A 53 -7.690 -2.289 3.297 1.00 14.14 N ATOM 726 CA VAL A 53 -7.479 -3.156 2.118 1.00 31.02 C ATOM 727 C VAL A 53 -8.793 -3.861 1.676 1.00 54.41 C ATOM 728 O VAL A 53 -9.681 -4.136 2.498 1.00 32.31 O ATOM 729 CB VAL A 53 -6.343 -4.217 2.374 1.00 71.24 C ATOM 730 CG1 VAL A 53 -6.742 -5.268 3.435 1.00 0.45 C ATOM 731 CG2 VAL A 53 -5.885 -4.885 1.054 1.00 52.01 C ATOM 0 H VAL A 53 -7.409 -2.712 4.182 1.00 14.14 H new ATOM 0 HA VAL A 53 -7.158 -2.505 1.304 1.00 31.02 H new ATOM 0 HB VAL A 53 -5.492 -3.672 2.783 1.00 71.24 H new ATOM 0 HG11 VAL A 53 -5.924 -5.975 3.573 1.00 0.45 H new ATOM 0 HG12 VAL A 53 -6.953 -4.768 4.381 1.00 0.45 H new ATOM 0 HG13 VAL A 53 -7.631 -5.803 3.101 1.00 0.45 H new ATOM 0 HG21 VAL A 53 -5.101 -5.611 1.267 1.00 52.01 H new ATOM 0 HG22 VAL A 53 -6.731 -5.391 0.589 1.00 52.01 H new ATOM 0 HG23 VAL A 53 -5.500 -4.124 0.375 1.00 52.01 H new ATOM 741 N SER A 54 -8.913 -4.116 0.360 1.00 2.24 N ATOM 742 CA SER A 54 -10.002 -4.944 -0.214 1.00 75.21 C ATOM 743 C SER A 54 -9.860 -6.422 0.211 1.00 74.24 C ATOM 744 O SER A 54 -8.767 -6.859 0.583 1.00 12.14 O ATOM 745 CB SER A 54 -10.005 -4.845 -1.760 1.00 31.05 C ATOM 746 OG SER A 54 -11.049 -5.619 -2.332 1.00 4.21 O ATOM 0 H SER A 54 -8.262 -3.757 -0.338 1.00 2.24 H new ATOM 0 HA SER A 54 -10.947 -4.560 0.171 1.00 75.21 H new ATOM 0 HB2 SER A 54 -10.119 -3.803 -2.058 1.00 31.05 H new ATOM 0 HB3 SER A 54 -9.045 -5.185 -2.149 1.00 31.05 H new ATOM 0 HG SER A 54 -11.023 -5.533 -3.308 1.00 4.21 H new ATOM 752 N SER A 55 -10.964 -7.184 0.117 1.00 21.25 N ATOM 753 CA SER A 55 -11.030 -8.607 0.551 1.00 64.23 C ATOM 754 C SER A 55 -9.965 -9.504 -0.142 1.00 21.42 C ATOM 755 O SER A 55 -9.383 -10.397 0.485 1.00 74.24 O ATOM 756 CB SER A 55 -12.444 -9.165 0.281 1.00 55.21 C ATOM 757 OG SER A 55 -12.785 -9.055 -1.093 1.00 34.33 O ATOM 0 H SER A 55 -11.844 -6.836 -0.263 1.00 21.25 H new ATOM 0 HA SER A 55 -10.811 -8.627 1.619 1.00 64.23 H new ATOM 0 HB2 SER A 55 -12.490 -10.210 0.587 1.00 55.21 H new ATOM 0 HB3 SER A 55 -13.173 -8.623 0.884 1.00 55.21 H new ATOM 0 HG SER A 55 -13.684 -9.417 -1.237 1.00 34.33 H new ATOM 763 N ASP A 56 -9.703 -9.232 -1.434 1.00 72.40 N ATOM 764 CA ASP A 56 -8.728 -10.006 -2.246 1.00 52.44 C ATOM 765 C ASP A 56 -7.271 -9.501 -2.066 1.00 53.40 C ATOM 766 O ASP A 56 -6.315 -10.216 -2.383 1.00 13.34 O ATOM 767 CB ASP A 56 -9.115 -9.919 -3.739 1.00 62.52 C ATOM 768 CG ASP A 56 -10.558 -10.359 -4.000 1.00 31.30 C ATOM 769 OD1 ASP A 56 -11.470 -9.517 -3.868 1.00 11.51 O ATOM 770 OD2 ASP A 56 -10.788 -11.539 -4.326 1.00 34.41 O ATOM 0 H ASP A 56 -10.155 -8.475 -1.948 1.00 72.40 H new ATOM 0 HA ASP A 56 -8.765 -11.038 -1.898 1.00 52.44 H new ATOM 0 HB2 ASP A 56 -8.983 -8.894 -4.085 1.00 62.52 H new ATOM 0 HB3 ASP A 56 -8.438 -10.542 -4.323 1.00 62.52 H new ATOM 775 N GLY A 57 -7.124 -8.265 -1.553 1.00 21.12 N ATOM 776 CA GLY A 57 -5.822 -7.578 -1.513 1.00 54.14 C ATOM 777 C GLY A 57 -5.359 -7.032 -2.874 1.00 14.41 C ATOM 778 O GLY A 57 -4.178 -6.713 -3.047 1.00 13.14 O ATOM 0 H GLY A 57 -7.893 -7.722 -1.160 1.00 21.12 H new ATOM 0 HA2 GLY A 57 -5.880 -6.753 -0.803 1.00 54.14 H new ATOM 0 HA3 GLY A 57 -5.069 -8.270 -1.136 1.00 54.14 H new ATOM 782 N LYS A 58 -6.297 -6.919 -3.846 1.00 5.44 N ATOM 783 CA LYS A 58 -6.000 -6.373 -5.198 1.00 15.11 C ATOM 784 C LYS A 58 -5.956 -4.821 -5.184 1.00 41.44 C ATOM 785 O LYS A 58 -5.307 -4.202 -6.031 1.00 11.24 O ATOM 786 CB LYS A 58 -7.046 -6.870 -6.248 1.00 32.20 C ATOM 787 CG LYS A 58 -8.504 -6.376 -6.027 1.00 22.34 C ATOM 788 CD LYS A 58 -9.397 -6.544 -7.285 1.00 45.43 C ATOM 789 CE LYS A 58 -9.692 -8.011 -7.652 1.00 15.31 C ATOM 790 NZ LYS A 58 -10.644 -8.654 -6.707 1.00 12.45 N ATOM 0 H LYS A 58 -7.270 -7.199 -3.720 1.00 5.44 H new ATOM 0 HA LYS A 58 -5.016 -6.742 -5.486 1.00 15.11 H new ATOM 0 HB2 LYS A 58 -6.720 -6.552 -7.238 1.00 32.20 H new ATOM 0 HB3 LYS A 58 -7.046 -7.960 -6.247 1.00 32.20 H new ATOM 0 HG2 LYS A 58 -8.947 -6.927 -5.197 1.00 22.34 H new ATOM 0 HG3 LYS A 58 -8.486 -5.325 -5.738 1.00 22.34 H new ATOM 0 HD2 LYS A 58 -10.341 -6.025 -7.120 1.00 45.43 H new ATOM 0 HD3 LYS A 58 -8.910 -6.059 -8.131 1.00 45.43 H new ATOM 0 HE2 LYS A 58 -10.102 -8.054 -8.661 1.00 15.31 H new ATOM 0 HE3 LYS A 58 -8.759 -8.574 -7.662 1.00 15.31 H new ATOM 0 HZ1 LYS A 58 -10.399 -9.659 -6.597 1.00 12.45 H new ATOM 0 HZ2 LYS A 58 -10.588 -8.181 -5.782 1.00 12.45 H new ATOM 0 HZ3 LYS A 58 -11.612 -8.572 -7.080 1.00 12.45 H new ATOM 804 N THR A 59 -6.682 -4.213 -4.223 1.00 60.02 N ATOM 805 CA THR A 59 -6.797 -2.740 -4.055 1.00 65.22 C ATOM 806 C THR A 59 -6.810 -2.346 -2.556 1.00 25.34 C ATOM 807 O THR A 59 -7.028 -3.190 -1.687 1.00 75.02 O ATOM 808 CB THR A 59 -8.102 -2.168 -4.727 1.00 25.01 C ATOM 809 OG1 THR A 59 -9.248 -2.887 -4.242 1.00 62.01 O ATOM 810 CG2 THR A 59 -8.067 -2.239 -6.265 1.00 50.41 C ATOM 0 H THR A 59 -7.215 -4.736 -3.528 1.00 60.02 H new ATOM 0 HA THR A 59 -5.924 -2.311 -4.547 1.00 65.22 H new ATOM 0 HB THR A 59 -8.164 -1.114 -4.455 1.00 25.01 H new ATOM 0 HG1 THR A 59 -10.059 -2.529 -4.659 1.00 62.01 H new ATOM 0 HG21 THR A 59 -8.993 -1.830 -6.669 1.00 50.41 H new ATOM 0 HG22 THR A 59 -7.222 -1.660 -6.637 1.00 50.41 H new ATOM 0 HG23 THR A 59 -7.961 -3.277 -6.579 1.00 50.41 H new ATOM 818 N VAL A 60 -6.552 -1.047 -2.271 1.00 61.45 N ATOM 819 CA VAL A 60 -6.679 -0.445 -0.913 1.00 21.25 C ATOM 820 C VAL A 60 -7.467 0.887 -0.991 1.00 71.31 C ATOM 821 O VAL A 60 -7.118 1.772 -1.781 1.00 53.52 O ATOM 822 CB VAL A 60 -5.267 -0.166 -0.239 1.00 1.31 C ATOM 823 CG1 VAL A 60 -5.410 0.606 1.103 1.00 41.15 C ATOM 824 CG2 VAL A 60 -4.479 -1.473 -0.010 1.00 43.23 C ATOM 0 H VAL A 60 -6.247 -0.379 -2.979 1.00 61.45 H new ATOM 0 HA VAL A 60 -7.212 -1.169 -0.297 1.00 21.25 H new ATOM 0 HB VAL A 60 -4.709 0.459 -0.937 1.00 1.31 H new ATOM 0 HG11 VAL A 60 -4.422 0.777 1.532 1.00 41.15 H new ATOM 0 HG12 VAL A 60 -5.897 1.564 0.922 1.00 41.15 H new ATOM 0 HG13 VAL A 60 -6.011 0.019 1.798 1.00 41.15 H new ATOM 0 HG21 VAL A 60 -3.519 -1.243 0.452 1.00 43.23 H new ATOM 0 HG22 VAL A 60 -5.049 -2.131 0.646 1.00 43.23 H new ATOM 0 HG23 VAL A 60 -4.312 -1.969 -0.966 1.00 43.23 H new ATOM 834 N THR A 61 -8.528 1.018 -0.171 1.00 31.33 N ATOM 835 CA THR A 61 -9.254 2.289 0.010 1.00 61.32 C ATOM 836 C THR A 61 -8.452 3.222 0.961 1.00 0.40 C ATOM 837 O THR A 61 -8.385 2.989 2.178 1.00 62.33 O ATOM 838 CB THR A 61 -10.698 2.046 0.580 1.00 74.41 C ATOM 839 OG1 THR A 61 -11.435 1.186 -0.310 1.00 72.04 O ATOM 840 CG2 THR A 61 -11.486 3.362 0.780 1.00 35.05 C ATOM 0 H THR A 61 -8.904 0.248 0.382 1.00 31.33 H new ATOM 0 HA THR A 61 -9.356 2.766 -0.965 1.00 61.32 H new ATOM 0 HB THR A 61 -10.581 1.577 1.557 1.00 74.41 H new ATOM 0 HG1 THR A 61 -12.334 1.036 0.050 1.00 72.04 H new ATOM 0 HG21 THR A 61 -12.476 3.137 1.175 1.00 35.05 H new ATOM 0 HG22 THR A 61 -10.952 4.003 1.482 1.00 35.05 H new ATOM 0 HG23 THR A 61 -11.585 3.875 -0.176 1.00 35.05 H new ATOM 848 N ILE A 62 -7.808 4.242 0.377 1.00 40.53 N ATOM 849 CA ILE A 62 -7.033 5.264 1.120 1.00 21.43 C ATOM 850 C ILE A 62 -7.902 6.521 1.307 1.00 20.54 C ATOM 851 O ILE A 62 -8.526 6.982 0.355 1.00 74.43 O ATOM 852 CB ILE A 62 -5.726 5.666 0.339 1.00 0.24 C ATOM 853 CG1 ILE A 62 -4.934 4.399 -0.102 1.00 25.23 C ATOM 854 CG2 ILE A 62 -4.833 6.618 1.186 1.00 5.53 C ATOM 855 CD1 ILE A 62 -3.717 4.686 -0.960 1.00 51.23 C ATOM 0 H ILE A 62 -7.806 4.388 -0.632 1.00 40.53 H new ATOM 0 HA ILE A 62 -6.750 4.843 2.085 1.00 21.43 H new ATOM 0 HB ILE A 62 -6.025 6.207 -0.559 1.00 0.24 H new ATOM 0 HG12 ILE A 62 -4.616 3.857 0.788 1.00 25.23 H new ATOM 0 HG13 ILE A 62 -5.605 3.740 -0.654 1.00 25.23 H new ATOM 0 HG21 ILE A 62 -3.939 6.877 0.620 1.00 5.53 H new ATOM 0 HG22 ILE A 62 -5.389 7.525 1.421 1.00 5.53 H new ATOM 0 HG23 ILE A 62 -4.545 6.119 2.111 1.00 5.53 H new ATOM 0 HD11 ILE A 62 -3.226 3.748 -1.221 1.00 51.23 H new ATOM 0 HD12 ILE A 62 -4.027 5.199 -1.871 1.00 51.23 H new ATOM 0 HD13 ILE A 62 -3.022 5.317 -0.406 1.00 51.23 H new ATOM 867 N THR A 63 -7.938 7.088 2.517 1.00 3.34 N ATOM 868 CA THR A 63 -8.626 8.374 2.762 1.00 35.51 C ATOM 869 C THR A 63 -7.622 9.391 3.334 1.00 51.50 C ATOM 870 O THR A 63 -6.892 9.087 4.286 1.00 0.04 O ATOM 871 CB THR A 63 -9.862 8.215 3.708 1.00 12.11 C ATOM 872 OG1 THR A 63 -10.700 7.133 3.245 1.00 60.34 O ATOM 873 CG2 THR A 63 -10.705 9.506 3.753 1.00 24.41 C ATOM 0 H THR A 63 -7.502 6.683 3.345 1.00 3.34 H new ATOM 0 HA THR A 63 -9.011 8.739 1.810 1.00 35.51 H new ATOM 0 HB THR A 63 -9.486 8.003 4.709 1.00 12.11 H new ATOM 0 HG1 THR A 63 -11.471 7.038 3.842 1.00 60.34 H new ATOM 0 HG21 THR A 63 -11.556 9.362 4.419 1.00 24.41 H new ATOM 0 HG22 THR A 63 -10.092 10.329 4.121 1.00 24.41 H new ATOM 0 HG23 THR A 63 -11.064 9.741 2.751 1.00 24.41 H new ATOM 881 N PHE A 64 -7.603 10.596 2.747 1.00 24.05 N ATOM 882 CA PHE A 64 -6.554 11.606 2.985 1.00 13.33 C ATOM 883 C PHE A 64 -6.698 12.260 4.379 1.00 44.41 C ATOM 884 O PHE A 64 -7.711 12.907 4.667 1.00 34.04 O ATOM 885 CB PHE A 64 -6.598 12.669 1.850 1.00 2.50 C ATOM 886 CG PHE A 64 -6.494 12.058 0.446 1.00 71.44 C ATOM 887 CD1 PHE A 64 -7.635 11.639 -0.248 1.00 1.43 C ATOM 888 CD2 PHE A 64 -5.264 11.887 -0.169 1.00 11.45 C ATOM 889 CE1 PHE A 64 -7.539 11.072 -1.501 1.00 41.24 C ATOM 890 CE2 PHE A 64 -5.164 11.322 -1.424 1.00 31.14 C ATOM 891 CZ PHE A 64 -6.302 10.918 -2.093 1.00 74.23 C ATOM 0 H PHE A 64 -8.319 10.902 2.088 1.00 24.05 H new ATOM 0 HA PHE A 64 -5.582 11.113 2.973 1.00 13.33 H new ATOM 0 HB2 PHE A 64 -7.527 13.234 1.926 1.00 2.50 H new ATOM 0 HB3 PHE A 64 -5.782 13.377 1.992 1.00 2.50 H new ATOM 0 HD1 PHE A 64 -8.607 11.762 0.206 1.00 1.43 H new ATOM 0 HD2 PHE A 64 -4.367 12.202 0.343 1.00 11.45 H new ATOM 0 HE1 PHE A 64 -8.430 10.749 -2.018 1.00 41.24 H new ATOM 0 HE2 PHE A 64 -4.195 11.196 -1.883 1.00 31.14 H new ATOM 0 HZ PHE A 64 -6.224 10.482 -3.078 1.00 74.23 H new ATOM 901 N ALA A 65 -5.691 12.056 5.248 1.00 71.32 N ATOM 902 CA ALA A 65 -5.652 12.667 6.594 1.00 44.11 C ATOM 903 C ALA A 65 -4.192 12.924 7.029 1.00 50.55 C ATOM 904 O ALA A 65 -3.422 11.976 7.255 1.00 5.41 O ATOM 905 CB ALA A 65 -6.392 11.787 7.616 1.00 61.21 C ATOM 0 H ALA A 65 -4.885 11.467 5.041 1.00 71.32 H new ATOM 0 HA ALA A 65 -6.165 13.628 6.552 1.00 44.11 H new ATOM 0 HB1 ALA A 65 -6.350 12.257 8.599 1.00 61.21 H new ATOM 0 HB2 ALA A 65 -7.433 11.673 7.312 1.00 61.21 H new ATOM 0 HB3 ALA A 65 -5.918 10.806 7.662 1.00 61.21 H new ATOM 911 N ALA A 66 -3.837 14.222 7.180 1.00 54.45 N ATOM 912 CA ALA A 66 -2.463 14.675 7.526 1.00 41.24 C ATOM 913 C ALA A 66 -2.026 14.331 8.980 1.00 70.31 C ATOM 914 O ALA A 66 -0.923 14.693 9.405 1.00 34.11 O ATOM 915 CB ALA A 66 -2.356 16.188 7.278 1.00 71.44 C ATOM 0 H ALA A 66 -4.497 14.991 7.065 1.00 54.45 H new ATOM 0 HA ALA A 66 -1.777 14.126 6.880 1.00 41.24 H new ATOM 0 HB1 ALA A 66 -1.351 16.528 7.529 1.00 71.44 H new ATOM 0 HB2 ALA A 66 -2.559 16.400 6.228 1.00 71.44 H new ATOM 0 HB3 ALA A 66 -3.082 16.711 7.900 1.00 71.44 H new ATOM 921 N ASP A 67 -2.880 13.613 9.728 1.00 73.04 N ATOM 922 CA ASP A 67 -2.559 13.103 11.085 1.00 74.41 C ATOM 923 C ASP A 67 -1.952 11.676 11.016 1.00 52.41 C ATOM 924 O ASP A 67 -2.312 10.781 11.793 1.00 12.34 O ATOM 925 CB ASP A 67 -3.843 13.136 11.941 1.00 54.13 C ATOM 926 CG ASP A 67 -4.428 14.553 12.066 1.00 41.01 C ATOM 927 OD1 ASP A 67 -4.024 15.298 12.987 1.00 54.14 O ATOM 928 OD2 ASP A 67 -5.271 14.938 11.225 1.00 1.03 O ATOM 0 H ASP A 67 -3.818 13.365 9.413 1.00 73.04 H new ATOM 0 HA ASP A 67 -1.805 13.739 11.548 1.00 74.41 H new ATOM 0 HB2 ASP A 67 -4.589 12.476 11.498 1.00 54.13 H new ATOM 0 HB3 ASP A 67 -3.624 12.747 12.935 1.00 54.13 H new ATOM 933 N ASP A 68 -1.006 11.512 10.071 1.00 13.43 N ATOM 934 CA ASP A 68 -0.277 10.248 9.788 1.00 32.33 C ATOM 935 C ASP A 68 -1.216 9.063 9.437 1.00 61.22 C ATOM 936 O ASP A 68 -0.843 7.895 9.596 1.00 52.44 O ATOM 937 CB ASP A 68 0.689 9.893 10.959 1.00 51.12 C ATOM 938 CG ASP A 68 1.686 11.021 11.270 1.00 74.43 C ATOM 939 OD1 ASP A 68 2.681 11.171 10.528 1.00 42.40 O ATOM 940 OD2 ASP A 68 1.463 11.776 12.244 1.00 63.21 O ATOM 0 H ASP A 68 -0.715 12.276 9.461 1.00 13.43 H new ATOM 0 HA ASP A 68 0.319 10.424 8.892 1.00 32.33 H new ATOM 0 HB2 ASP A 68 0.105 9.674 11.853 1.00 51.12 H new ATOM 0 HB3 ASP A 68 1.240 8.986 10.708 1.00 51.12 H new ATOM 945 N SER A 69 -2.420 9.374 8.925 1.00 71.23 N ATOM 946 CA SER A 69 -3.403 8.353 8.474 1.00 73.55 C ATOM 947 C SER A 69 -3.394 8.203 6.933 1.00 3.53 C ATOM 948 O SER A 69 -3.999 7.275 6.385 1.00 71.55 O ATOM 949 CB SER A 69 -4.819 8.723 8.976 1.00 73.04 C ATOM 950 OG SER A 69 -5.800 7.764 8.585 1.00 34.44 O ATOM 0 H SER A 69 -2.745 10.334 8.809 1.00 71.23 H new ATOM 0 HA SER A 69 -3.115 7.392 8.900 1.00 73.55 H new ATOM 0 HB2 SER A 69 -4.807 8.805 10.063 1.00 73.04 H new ATOM 0 HB3 SER A 69 -5.096 9.702 8.586 1.00 73.04 H new ATOM 0 HG SER A 69 -5.499 7.299 7.777 1.00 34.44 H new ATOM 956 N ASP A 70 -2.687 9.117 6.250 1.00 73.31 N ATOM 957 CA ASP A 70 -2.572 9.142 4.776 1.00 14.01 C ATOM 958 C ASP A 70 -1.591 8.061 4.244 1.00 50.43 C ATOM 959 O ASP A 70 -1.703 7.617 3.094 1.00 62.41 O ATOM 960 CB ASP A 70 -2.123 10.558 4.332 1.00 50.33 C ATOM 961 CG ASP A 70 -0.731 10.948 4.872 1.00 45.40 C ATOM 962 OD1 ASP A 70 -0.609 11.219 6.094 1.00 5.34 O ATOM 963 OD2 ASP A 70 0.249 10.962 4.096 1.00 43.10 O ATOM 0 H ASP A 70 -2.172 9.869 6.707 1.00 73.31 H new ATOM 0 HA ASP A 70 -3.548 8.910 4.350 1.00 14.01 H new ATOM 0 HB2 ASP A 70 -2.110 10.604 3.243 1.00 50.33 H new ATOM 0 HB3 ASP A 70 -2.856 11.289 4.673 1.00 50.33 H new ATOM 968 N ASN A 71 -0.614 7.660 5.087 1.00 65.44 N ATOM 969 CA ASN A 71 0.407 6.657 4.712 1.00 12.11 C ATOM 970 C ASN A 71 -0.102 5.202 4.940 1.00 74.14 C ATOM 971 O ASN A 71 -0.580 4.848 6.025 1.00 32.30 O ATOM 972 CB ASN A 71 1.741 6.924 5.462 1.00 55.21 C ATOM 973 CG ASN A 71 1.619 6.900 6.989 1.00 54.20 C ATOM 974 OD1 ASN A 71 1.798 5.871 7.632 1.00 43.11 O ATOM 975 ND2 ASN A 71 1.308 8.030 7.583 1.00 14.31 N ATOM 0 H ASN A 71 -0.511 8.018 6.037 1.00 65.44 H new ATOM 0 HA ASN A 71 0.598 6.759 3.644 1.00 12.11 H new ATOM 0 HB2 ASN A 71 2.473 6.177 5.155 1.00 55.21 H new ATOM 0 HB3 ASN A 71 2.129 7.895 5.155 1.00 55.21 H new ATOM 0 HD21 ASN A 71 1.211 8.063 8.598 1.00 14.31 H new ATOM 0 HD22 ASN A 71 1.163 8.874 7.029 1.00 14.31 H new ATOM 982 N VAL A 72 -0.012 4.386 3.874 1.00 64.45 N ATOM 983 CA VAL A 72 -0.440 2.969 3.854 1.00 4.33 C ATOM 984 C VAL A 72 0.777 2.060 3.564 1.00 51.31 C ATOM 985 O VAL A 72 1.412 2.190 2.512 1.00 34.31 O ATOM 986 CB VAL A 72 -1.541 2.734 2.748 1.00 1.02 C ATOM 987 CG1 VAL A 72 -2.026 1.264 2.720 1.00 53.53 C ATOM 988 CG2 VAL A 72 -2.726 3.711 2.926 1.00 13.30 C ATOM 0 H VAL A 72 0.369 4.698 2.980 1.00 64.45 H new ATOM 0 HA VAL A 72 -0.862 2.723 4.829 1.00 4.33 H new ATOM 0 HB VAL A 72 -1.079 2.938 1.782 1.00 1.02 H new ATOM 0 HG11 VAL A 72 -2.783 1.145 1.945 1.00 53.53 H new ATOM 0 HG12 VAL A 72 -1.183 0.607 2.507 1.00 53.53 H new ATOM 0 HG13 VAL A 72 -2.454 1.004 3.688 1.00 53.53 H new ATOM 0 HG21 VAL A 72 -3.469 3.526 2.150 1.00 13.30 H new ATOM 0 HG22 VAL A 72 -3.179 3.559 3.906 1.00 13.30 H new ATOM 0 HG23 VAL A 72 -2.367 4.737 2.847 1.00 13.30 H new ATOM 998 N VAL A 73 1.090 1.133 4.486 1.00 31.53 N ATOM 999 CA VAL A 73 2.269 0.246 4.373 1.00 52.11 C ATOM 1000 C VAL A 73 1.842 -1.192 3.969 1.00 14.33 C ATOM 1001 O VAL A 73 1.289 -1.928 4.786 1.00 11.32 O ATOM 1002 CB VAL A 73 3.074 0.214 5.729 1.00 1.52 C ATOM 1003 CG1 VAL A 73 4.347 -0.656 5.615 1.00 22.42 C ATOM 1004 CG2 VAL A 73 3.419 1.645 6.209 1.00 22.14 C ATOM 0 H VAL A 73 0.537 0.975 5.329 1.00 31.53 H new ATOM 0 HA VAL A 73 2.917 0.646 3.593 1.00 52.11 H new ATOM 0 HB VAL A 73 2.430 -0.245 6.479 1.00 1.52 H new ATOM 0 HG11 VAL A 73 4.876 -0.654 6.568 1.00 22.42 H new ATOM 0 HG12 VAL A 73 4.068 -1.678 5.357 1.00 22.42 H new ATOM 0 HG13 VAL A 73 4.997 -0.251 4.839 1.00 22.42 H new ATOM 0 HG21 VAL A 73 3.974 1.591 7.146 1.00 22.14 H new ATOM 0 HG22 VAL A 73 4.028 2.145 5.455 1.00 22.14 H new ATOM 0 HG23 VAL A 73 2.499 2.208 6.364 1.00 22.14 H new ATOM 1014 N ILE A 74 2.126 -1.593 2.716 1.00 33.32 N ATOM 1015 CA ILE A 74 1.766 -2.942 2.204 1.00 71.21 C ATOM 1016 C ILE A 74 2.866 -3.960 2.604 1.00 75.23 C ATOM 1017 O ILE A 74 4.043 -3.620 2.606 1.00 21.01 O ATOM 1018 CB ILE A 74 1.604 -2.947 0.631 1.00 20.04 C ATOM 1019 CG1 ILE A 74 0.689 -1.773 0.142 1.00 1.30 C ATOM 1020 CG2 ILE A 74 1.066 -4.315 0.121 1.00 1.24 C ATOM 1021 CD1 ILE A 74 -0.742 -1.797 0.663 1.00 73.24 C ATOM 0 H ILE A 74 2.605 -1.006 2.033 1.00 33.32 H new ATOM 0 HA ILE A 74 0.810 -3.221 2.646 1.00 71.21 H new ATOM 0 HB ILE A 74 2.596 -2.795 0.206 1.00 20.04 H new ATOM 0 HG12 ILE A 74 1.149 -0.830 0.437 1.00 1.30 H new ATOM 0 HG13 ILE A 74 0.661 -1.787 -0.948 1.00 1.30 H new ATOM 0 HG21 ILE A 74 0.966 -4.285 -0.964 1.00 1.24 H new ATOM 0 HG22 ILE A 74 1.762 -5.106 0.400 1.00 1.24 H new ATOM 0 HG23 ILE A 74 0.093 -4.513 0.570 1.00 1.24 H new ATOM 0 HD11 ILE A 74 -1.289 -0.942 0.265 1.00 73.24 H new ATOM 0 HD12 ILE A 74 -1.229 -2.719 0.346 1.00 73.24 H new ATOM 0 HD13 ILE A 74 -0.734 -1.747 1.752 1.00 73.24 H new ATOM 1033 N HIS A 75 2.478 -5.200 2.954 1.00 24.32 N ATOM 1034 CA HIS A 75 3.428 -6.252 3.409 1.00 12.03 C ATOM 1035 C HIS A 75 3.543 -7.399 2.378 1.00 21.24 C ATOM 1036 O HIS A 75 2.529 -7.923 1.901 1.00 51.20 O ATOM 1037 CB HIS A 75 2.994 -6.801 4.789 1.00 22.13 C ATOM 1038 CG HIS A 75 3.153 -5.809 5.918 1.00 32.02 C ATOM 1039 ND1 HIS A 75 4.130 -5.922 6.884 1.00 24.30 N ATOM 1040 CD2 HIS A 75 2.455 -4.687 6.234 1.00 24.12 C ATOM 1041 CE1 HIS A 75 4.025 -4.924 7.734 1.00 21.42 C ATOM 1042 NE2 HIS A 75 3.020 -4.161 7.369 1.00 42.11 N ATOM 0 H HIS A 75 1.506 -5.507 2.933 1.00 24.32 H new ATOM 0 HA HIS A 75 4.414 -5.797 3.503 1.00 12.03 H new ATOM 0 HB2 HIS A 75 1.950 -7.111 4.734 1.00 22.13 H new ATOM 0 HB3 HIS A 75 3.580 -7.692 5.016 1.00 22.13 H new ATOM 0 HD2 HIS A 75 1.612 -4.284 5.693 1.00 24.12 H new ATOM 0 HE1 HIS A 75 4.661 -4.759 8.591 1.00 21.42 H new ATOM 0 HE2 HIS A 75 2.710 -3.316 7.850 1.00 42.11 H new ATOM 1051 N LEU A 76 4.797 -7.785 2.068 1.00 13.33 N ATOM 1052 CA LEU A 76 5.144 -8.809 1.052 1.00 63.44 C ATOM 1053 C LEU A 76 6.184 -9.809 1.614 1.00 33.54 C ATOM 1054 O LEU A 76 6.782 -9.574 2.671 1.00 65.15 O ATOM 1055 CB LEU A 76 5.698 -8.133 -0.236 1.00 30.20 C ATOM 1056 CG LEU A 76 4.715 -7.194 -1.006 1.00 53.35 C ATOM 1057 CD1 LEU A 76 5.405 -6.536 -2.217 1.00 32.12 C ATOM 1058 CD2 LEU A 76 3.434 -7.947 -1.438 1.00 14.30 C ATOM 0 H LEU A 76 5.617 -7.387 2.525 1.00 13.33 H new ATOM 0 HA LEU A 76 4.236 -9.357 0.800 1.00 63.44 H new ATOM 0 HB2 LEU A 76 6.581 -7.555 0.035 1.00 30.20 H new ATOM 0 HB3 LEU A 76 6.027 -8.917 -0.919 1.00 30.20 H new ATOM 0 HG LEU A 76 4.416 -6.401 -0.320 1.00 53.35 H new ATOM 0 HD11 LEU A 76 4.696 -5.889 -2.733 1.00 32.12 H new ATOM 0 HD12 LEU A 76 6.254 -5.944 -1.875 1.00 32.12 H new ATOM 0 HD13 LEU A 76 5.754 -7.309 -2.901 1.00 32.12 H new ATOM 0 HD21 LEU A 76 2.773 -7.264 -1.971 1.00 14.30 H new ATOM 0 HD22 LEU A 76 3.703 -8.776 -2.092 1.00 14.30 H new ATOM 0 HD23 LEU A 76 2.923 -8.332 -0.555 1.00 14.30 H new ATOM 1070 N LYS A 77 6.404 -10.924 0.890 1.00 33.51 N ATOM 1071 CA LYS A 77 7.353 -11.981 1.321 1.00 23.04 C ATOM 1072 C LYS A 77 8.053 -12.646 0.120 1.00 32.41 C ATOM 1073 O LYS A 77 7.442 -12.868 -0.923 1.00 65.03 O ATOM 1074 CB LYS A 77 6.602 -13.043 2.168 1.00 62.23 C ATOM 1075 CG LYS A 77 7.477 -14.196 2.703 1.00 21.42 C ATOM 1076 CD LYS A 77 6.767 -15.023 3.793 1.00 54.52 C ATOM 1077 CE LYS A 77 7.692 -16.073 4.425 1.00 35.23 C ATOM 1078 NZ LYS A 77 7.069 -16.712 5.612 1.00 64.41 N ATOM 0 H LYS A 77 5.940 -11.120 0.003 1.00 33.51 H new ATOM 0 HA LYS A 77 8.128 -11.513 1.928 1.00 23.04 H new ATOM 0 HB2 LYS A 77 6.131 -12.543 3.014 1.00 62.23 H new ATOM 0 HB3 LYS A 77 5.801 -13.467 1.563 1.00 62.23 H new ATOM 0 HG2 LYS A 77 7.753 -14.851 1.877 1.00 21.42 H new ATOM 0 HG3 LYS A 77 8.403 -13.787 3.108 1.00 21.42 H new ATOM 0 HD2 LYS A 77 6.397 -14.354 4.570 1.00 54.52 H new ATOM 0 HD3 LYS A 77 5.899 -15.520 3.360 1.00 54.52 H new ATOM 0 HE2 LYS A 77 7.934 -16.837 3.686 1.00 35.23 H new ATOM 0 HE3 LYS A 77 8.631 -15.602 4.716 1.00 35.23 H new ATOM 0 HZ1 LYS A 77 7.553 -17.610 5.817 1.00 64.41 H new ATOM 0 HZ2 LYS A 77 7.153 -16.078 6.432 1.00 64.41 H new ATOM 0 HZ3 LYS A 77 6.064 -16.897 5.419 1.00 64.41 H new ATOM 1092 N HIS A 78 9.340 -12.998 0.301 1.00 54.14 N ATOM 1093 CA HIS A 78 10.143 -13.668 -0.741 1.00 42.24 C ATOM 1094 C HIS A 78 9.914 -15.194 -0.699 1.00 23.13 C ATOM 1095 O HIS A 78 10.122 -15.829 0.346 1.00 55.04 O ATOM 1096 CB HIS A 78 11.640 -13.348 -0.542 1.00 44.44 C ATOM 1097 CG HIS A 78 11.954 -11.876 -0.495 1.00 40.31 C ATOM 1098 ND1 HIS A 78 12.910 -11.338 0.335 1.00 34.01 N ATOM 1099 CD2 HIS A 78 11.436 -10.832 -1.186 1.00 52.41 C ATOM 1100 CE1 HIS A 78 12.977 -10.041 0.141 1.00 2.50 C ATOM 1101 NE2 HIS A 78 12.095 -9.707 -0.773 1.00 25.41 N ATOM 0 H HIS A 78 9.850 -12.828 1.168 1.00 54.14 H new ATOM 0 HA HIS A 78 9.829 -13.297 -1.717 1.00 42.24 H new ATOM 0 HB2 HIS A 78 11.979 -13.810 0.385 1.00 44.44 H new ATOM 0 HB3 HIS A 78 12.209 -13.804 -1.352 1.00 44.44 H new ATOM 0 HD2 HIS A 78 10.650 -10.879 -1.925 1.00 52.41 H new ATOM 0 HE1 HIS A 78 13.646 -9.362 0.649 1.00 2.50 H new ATOM 0 HE2 HIS A 78 11.929 -8.762 -1.119 1.00 25.41 H new ATOM 1110 N GLY A 79 9.503 -15.770 -1.842 1.00 13.00 N ATOM 1111 CA GLY A 79 9.201 -17.208 -1.935 1.00 61.10 C ATOM 1112 C GLY A 79 7.742 -17.564 -1.612 1.00 2.21 C ATOM 1113 O GLY A 79 7.171 -17.033 -0.652 1.00 12.33 O ATOM 0 H GLY A 79 9.372 -15.260 -2.716 1.00 13.00 H new ATOM 0 HA2 GLY A 79 9.433 -17.553 -2.943 1.00 61.10 H new ATOM 0 HA3 GLY A 79 9.856 -17.751 -1.253 1.00 61.10 H new ATOM 1117 N LEU A 80 7.141 -18.447 -2.443 1.00 11.44 N ATOM 1118 CA LEU A 80 5.801 -19.042 -2.191 1.00 52.13 C ATOM 1119 C LEU A 80 5.672 -19.626 -0.745 1.00 33.32 C ATOM 1120 O LEU A 80 6.348 -20.610 -0.399 1.00 12.32 O ATOM 1121 CB LEU A 80 5.508 -20.149 -3.246 1.00 71.24 C ATOM 1122 CG LEU A 80 5.413 -19.685 -4.740 1.00 30.42 C ATOM 1123 CD1 LEU A 80 5.241 -20.882 -5.696 1.00 41.44 C ATOM 1124 CD2 LEU A 80 4.270 -18.672 -4.944 1.00 73.11 C ATOM 0 H LEU A 80 7.570 -18.770 -3.310 1.00 11.44 H new ATOM 0 HA LEU A 80 5.065 -18.243 -2.281 1.00 52.13 H new ATOM 0 HB2 LEU A 80 6.290 -20.905 -3.173 1.00 71.24 H new ATOM 0 HB3 LEU A 80 4.569 -20.634 -2.979 1.00 71.24 H new ATOM 0 HG LEU A 80 6.355 -19.192 -4.979 1.00 30.42 H new ATOM 0 HD11 LEU A 80 5.179 -20.522 -6.723 1.00 41.44 H new ATOM 0 HD12 LEU A 80 6.095 -21.552 -5.598 1.00 41.44 H new ATOM 0 HD13 LEU A 80 4.327 -21.420 -5.444 1.00 41.44 H new ATOM 0 HD21 LEU A 80 4.233 -18.371 -5.991 1.00 73.11 H new ATOM 0 HD22 LEU A 80 3.322 -19.132 -4.665 1.00 73.11 H new ATOM 0 HD23 LEU A 80 4.445 -17.795 -4.321 1.00 73.11 H new ATOM 1136 N GLU A 81 4.794 -18.997 0.071 1.00 21.12 N ATOM 1137 CA GLU A 81 4.565 -19.360 1.496 1.00 13.52 C ATOM 1138 C GLU A 81 4.201 -20.858 1.688 1.00 45.13 C ATOM 1139 O GLU A 81 4.683 -21.497 2.632 1.00 10.13 O ATOM 1140 CB GLU A 81 3.448 -18.455 2.092 1.00 62.40 C ATOM 1141 CG GLU A 81 3.064 -18.740 3.573 1.00 23.13 C ATOM 1142 CD GLU A 81 4.188 -18.456 4.600 1.00 44.33 C ATOM 1143 OE1 GLU A 81 4.286 -17.310 5.086 1.00 23.51 O ATOM 1144 OE2 GLU A 81 4.964 -19.382 4.946 1.00 13.34 O ATOM 0 H GLU A 81 4.218 -18.215 -0.241 1.00 21.12 H new ATOM 0 HA GLU A 81 5.503 -19.197 2.026 1.00 13.52 H new ATOM 0 HB2 GLU A 81 3.768 -17.416 2.013 1.00 62.40 H new ATOM 0 HB3 GLU A 81 2.554 -18.561 1.478 1.00 62.40 H new ATOM 0 HG2 GLU A 81 2.194 -18.136 3.831 1.00 23.13 H new ATOM 0 HG3 GLU A 81 2.765 -19.784 3.662 1.00 23.13 H new ATOM 1151 N HIS A 82 3.363 -21.407 0.783 1.00 61.10 N ATOM 1152 CA HIS A 82 2.924 -22.822 0.844 1.00 72.34 C ATOM 1153 C HIS A 82 4.116 -23.813 0.687 1.00 75.13 C ATOM 1154 O HIS A 82 4.115 -24.891 1.292 1.00 70.22 O ATOM 1155 CB HIS A 82 1.837 -23.093 -0.229 1.00 3.30 C ATOM 1156 CG HIS A 82 1.176 -24.452 -0.126 1.00 73.20 C ATOM 1157 ND1 HIS A 82 0.055 -24.685 0.638 1.00 23.53 N ATOM 1158 CD2 HIS A 82 1.489 -25.652 -0.685 1.00 40.21 C ATOM 1159 CE1 HIS A 82 -0.291 -25.951 0.542 1.00 3.33 C ATOM 1160 NE2 HIS A 82 0.559 -26.558 -0.251 1.00 53.21 N ATOM 0 H HIS A 82 2.973 -20.889 -0.005 1.00 61.10 H new ATOM 0 HA HIS A 82 2.497 -22.992 1.832 1.00 72.34 H new ATOM 0 HB2 HIS A 82 1.069 -22.323 -0.152 1.00 3.30 H new ATOM 0 HB3 HIS A 82 2.288 -22.996 -1.217 1.00 3.30 H new ATOM 0 HD2 HIS A 82 2.317 -25.853 -1.348 1.00 40.21 H new ATOM 0 HE1 HIS A 82 -1.134 -26.413 1.034 1.00 3.33 H new ATOM 0 HE2 HIS A 82 0.532 -27.546 -0.504 1.00 53.21 H new ATOM 1169 N HIS A 83 5.123 -23.430 -0.128 1.00 72.03 N ATOM 1170 CA HIS A 83 6.364 -24.231 -0.302 1.00 3.25 C ATOM 1171 C HIS A 83 7.209 -24.229 0.996 1.00 71.03 C ATOM 1172 O HIS A 83 7.688 -25.286 1.429 1.00 12.24 O ATOM 1173 CB HIS A 83 7.189 -23.707 -1.511 1.00 54.21 C ATOM 1174 CG HIS A 83 6.585 -24.041 -2.859 1.00 21.22 C ATOM 1175 ND1 HIS A 83 7.281 -24.691 -3.859 1.00 13.32 N ATOM 1176 CD2 HIS A 83 5.349 -23.811 -3.369 1.00 55.13 C ATOM 1177 CE1 HIS A 83 6.504 -24.842 -4.910 1.00 21.14 C ATOM 1178 NE2 HIS A 83 5.329 -24.321 -4.638 1.00 41.04 N ATOM 0 H HIS A 83 5.105 -22.571 -0.678 1.00 72.03 H new ATOM 0 HA HIS A 83 6.080 -25.262 -0.511 1.00 3.25 H new ATOM 0 HB2 HIS A 83 7.290 -22.625 -1.427 1.00 54.21 H new ATOM 0 HB3 HIS A 83 8.194 -24.126 -1.461 1.00 54.21 H new ATOM 0 HD2 HIS A 83 4.531 -23.316 -2.866 1.00 55.13 H new ATOM 0 HE1 HIS A 83 6.785 -25.315 -5.840 1.00 21.14 H new ATOM 0 HE2 HIS A 83 4.530 -24.300 -5.272 1.00 41.04 H new ATOM 1187 N HIS A 84 7.403 -23.021 1.583 1.00 14.23 N ATOM 1188 CA HIS A 84 7.999 -22.826 2.942 1.00 0.01 C ATOM 1189 C HIS A 84 9.443 -23.432 3.065 1.00 51.44 C ATOM 1190 O HIS A 84 9.906 -23.761 4.162 1.00 41.14 O ATOM 1191 CB HIS A 84 7.014 -23.419 4.009 1.00 23.22 C ATOM 1192 CG HIS A 84 7.214 -22.944 5.430 1.00 24.22 C ATOM 1193 ND1 HIS A 84 6.653 -21.784 5.914 1.00 34.55 N ATOM 1194 CD2 HIS A 84 7.894 -23.484 6.477 1.00 72.42 C ATOM 1195 CE1 HIS A 84 6.976 -21.632 7.177 1.00 25.45 C ATOM 1196 NE2 HIS A 84 7.723 -22.648 7.547 1.00 10.22 N ATOM 0 H HIS A 84 7.150 -22.144 1.128 1.00 14.23 H new ATOM 0 HA HIS A 84 8.127 -21.758 3.120 1.00 0.01 H new ATOM 0 HB2 HIS A 84 5.995 -23.179 3.707 1.00 23.22 H new ATOM 0 HB3 HIS A 84 7.104 -24.505 3.994 1.00 23.22 H new ATOM 0 HD1 HIS A 84 6.075 -21.141 5.374 1.00 34.55 H new ATOM 0 HD2 HIS A 84 8.463 -24.402 6.466 1.00 72.42 H new ATOM 0 HE1 HIS A 84 6.677 -20.808 7.808 1.00 25.45 H new ATOM 1205 N HIS A 85 10.153 -23.529 1.926 1.00 33.21 N ATOM 1206 CA HIS A 85 11.467 -24.211 1.844 1.00 74.34 C ATOM 1207 C HIS A 85 12.591 -23.403 2.552 1.00 45.33 C ATOM 1208 O HIS A 85 12.828 -22.231 2.231 1.00 43.10 O ATOM 1209 CB HIS A 85 11.826 -24.471 0.359 1.00 40.20 C ATOM 1210 CG HIS A 85 13.099 -25.257 0.152 1.00 25.14 C ATOM 1211 ND1 HIS A 85 14.251 -24.711 -0.375 1.00 73.35 N ATOM 1212 CD2 HIS A 85 13.390 -26.562 0.391 1.00 31.44 C ATOM 1213 CE1 HIS A 85 15.183 -25.638 -0.444 1.00 60.34 C ATOM 1214 NE2 HIS A 85 14.687 -26.763 0.014 1.00 32.30 N ATOM 0 H HIS A 85 9.838 -23.140 1.037 1.00 33.21 H new ATOM 0 HA HIS A 85 11.387 -25.163 2.369 1.00 74.34 H new ATOM 0 HB2 HIS A 85 11.002 -25.007 -0.113 1.00 40.20 H new ATOM 0 HB3 HIS A 85 11.918 -23.513 -0.153 1.00 40.20 H new ATOM 0 HD2 HIS A 85 12.720 -27.303 0.803 1.00 31.44 H new ATOM 0 HE1 HIS A 85 16.187 -25.496 -0.815 1.00 60.34 H new ATOM 0 HE2 HIS A 85 15.191 -27.648 0.078 1.00 32.30 H new ATOM 1223 N HIS A 86 13.284 -24.052 3.511 1.00 10.01 N ATOM 1224 CA HIS A 86 14.410 -23.440 4.251 1.00 61.22 C ATOM 1225 C HIS A 86 15.703 -23.419 3.389 1.00 33.21 C ATOM 1226 O HIS A 86 16.451 -24.400 3.341 1.00 61.34 O ATOM 1227 CB HIS A 86 14.653 -24.197 5.586 1.00 11.55 C ATOM 1228 CG HIS A 86 13.497 -24.132 6.553 1.00 64.02 C ATOM 1229 ND1 HIS A 86 12.563 -25.136 6.692 1.00 11.35 N ATOM 1230 CD2 HIS A 86 13.135 -23.172 7.446 1.00 31.35 C ATOM 1231 CE1 HIS A 86 11.689 -24.797 7.612 1.00 11.15 C ATOM 1232 NE2 HIS A 86 12.008 -23.617 8.087 1.00 3.34 N ATOM 0 H HIS A 86 13.081 -25.011 3.794 1.00 10.01 H new ATOM 0 HA HIS A 86 14.145 -22.407 4.479 1.00 61.22 H new ATOM 0 HB2 HIS A 86 14.868 -25.242 5.364 1.00 11.55 H new ATOM 0 HB3 HIS A 86 15.539 -23.785 6.068 1.00 11.55 H new ATOM 0 HD2 HIS A 86 13.641 -22.234 7.618 1.00 31.35 H new ATOM 0 HE1 HIS A 86 10.845 -25.393 7.926 1.00 11.15 H new ATOM 0 HE2 HIS A 86 11.501 -23.113 8.814 1.00 3.34 H new ATOM 1241 N HIS A 87 15.921 -22.302 2.672 1.00 13.13 N ATOM 1242 CA HIS A 87 17.166 -22.057 1.901 1.00 54.43 C ATOM 1243 C HIS A 87 18.267 -21.494 2.817 1.00 34.42 C ATOM 1244 O HIS A 87 18.050 -20.511 3.528 1.00 65.23 O ATOM 1245 CB HIS A 87 16.877 -21.083 0.725 1.00 61.03 C ATOM 1246 CG HIS A 87 18.087 -20.712 -0.110 1.00 15.32 C ATOM 1247 ND1 HIS A 87 18.776 -19.523 0.045 1.00 15.52 N ATOM 1248 CD2 HIS A 87 18.725 -21.371 -1.116 1.00 61.24 C ATOM 1249 CE1 HIS A 87 19.765 -19.473 -0.821 1.00 52.33 C ATOM 1250 NE2 HIS A 87 19.757 -20.575 -1.533 1.00 33.31 N ATOM 0 H HIS A 87 15.244 -21.542 2.607 1.00 13.13 H new ATOM 0 HA HIS A 87 17.519 -23.003 1.492 1.00 54.43 H new ATOM 0 HB2 HIS A 87 16.129 -21.535 0.074 1.00 61.03 H new ATOM 0 HB3 HIS A 87 16.438 -20.170 1.128 1.00 61.03 H new ATOM 0 HD2 HIS A 87 18.465 -22.342 -1.512 1.00 61.24 H new ATOM 0 HE1 HIS A 87 20.467 -18.660 -0.928 1.00 52.33 H new ATOM 0 HE2 HIS A 87 20.415 -20.802 -2.278 1.00 33.31 H new TER 1259 HIS A 87