USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 685 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 80 LYS NZ :NH3+ -170:sc= 0.74 (180deg=-0.0112) USER MOD Set 1.2: A 88 GLN : amide:sc= 1.55 K(o=2.3,f=-2.1) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.223 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -150:sc= 1.26 (180deg=1.14) USER MOD Single : A 9 SER OG : rot -75:sc= 1.2 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0362 USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= 0.596 (180deg=0.555) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.0748 USER MOD Single : A 19 TYR OH : rot -179:sc= 0.679 USER MOD Single : A 35 HIS : no HD1:sc= -0.494 X(o=-0.49,f=-0.093) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0167 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.235 K(o=-0.23,f=-1.6) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc=-0.00334 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 88:sc= 0.0075 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -78:sc= -0.507 USER MOD Single : A 86 HIS : no HE2:sc= 0.73 K(o=0.73,f=-2.9!) USER MOD Single : A 91 LYS NZ :NH3+ -167:sc= -0.0102 (180deg=-0.156) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.084 -4.065 -12.270 1.00 62.10 N ATOM 2 CA GLY A 1 15.766 -3.444 -13.567 1.00 72.40 C ATOM 3 C GLY A 1 14.768 -2.332 -13.383 1.00 55.52 C ATOM 4 O GLY A 1 14.313 -2.136 -12.245 1.00 2.21 O ATOM 0 H1 GLY A 1 17.099 -3.954 -12.071 1.00 62.10 H new ATOM 0 H2 GLY A 1 15.532 -3.604 -11.519 1.00 62.10 H new ATOM 0 H3 GLY A 1 15.847 -5.077 -12.302 1.00 62.10 H new ATOM 0 HA2 GLY A 1 16.675 -3.054 -14.024 1.00 72.40 H new ATOM 0 HA3 GLY A 1 15.364 -4.194 -14.248 1.00 72.40 H new ATOM 8 N ALA A 2 14.392 -1.646 -14.455 1.00 41.31 N ATOM 9 CA ALA A 2 13.377 -0.597 -14.384 1.00 75.24 C ATOM 10 C ALA A 2 12.022 -1.286 -14.129 1.00 71.34 C ATOM 11 O ALA A 2 11.839 -2.448 -14.528 1.00 20.42 O ATOM 12 CB ALA A 2 13.349 0.184 -15.704 1.00 73.33 C ATOM 0 H ALA A 2 14.775 -1.796 -15.388 1.00 41.31 H new ATOM 0 HA ALA A 2 13.595 0.109 -13.583 1.00 75.24 H new ATOM 0 HB1 ALA A 2 12.591 0.966 -15.648 1.00 73.33 H new ATOM 0 HB2 ALA A 2 14.325 0.637 -15.880 1.00 73.33 H new ATOM 0 HB3 ALA A 2 13.111 -0.494 -16.523 1.00 73.33 H new ATOM 18 N MET A 3 11.089 -0.582 -13.506 1.00 65.34 N ATOM 19 CA MET A 3 9.784 -1.162 -13.174 1.00 3.30 C ATOM 20 C MET A 3 8.898 -1.250 -14.414 1.00 64.23 C ATOM 21 O MET A 3 9.135 -0.552 -15.413 1.00 70.53 O ATOM 22 CB MET A 3 9.123 -0.330 -12.075 1.00 3.13 C ATOM 23 CG MET A 3 8.716 1.079 -12.477 1.00 60.14 C ATOM 24 SD MET A 3 8.072 1.982 -11.063 1.00 75.43 S ATOM 25 CE MET A 3 7.602 3.523 -11.845 1.00 4.32 C ATOM 0 H MET A 3 11.205 0.390 -13.218 1.00 65.34 H new ATOM 0 HA MET A 3 9.925 -2.178 -12.806 1.00 3.30 H new ATOM 0 HB2 MET A 3 8.237 -0.860 -11.725 1.00 3.13 H new ATOM 0 HB3 MET A 3 9.809 -0.264 -11.231 1.00 3.13 H new ATOM 0 HG2 MET A 3 9.575 1.607 -12.891 1.00 60.14 H new ATOM 0 HG3 MET A 3 7.960 1.035 -13.261 1.00 60.14 H new ATOM 0 HE1 MET A 3 7.182 4.197 -11.098 1.00 4.32 H new ATOM 0 HE2 MET A 3 8.480 3.984 -12.297 1.00 4.32 H new ATOM 0 HE3 MET A 3 6.857 3.327 -12.616 1.00 4.32 H new ATOM 35 N ALA A 4 7.882 -2.090 -14.359 1.00 62.22 N ATOM 36 CA ALA A 4 6.974 -2.238 -15.479 1.00 54.43 C ATOM 37 C ALA A 4 6.074 -1.002 -15.565 1.00 13.41 C ATOM 38 O ALA A 4 5.784 -0.352 -14.543 1.00 73.35 O ATOM 39 CB ALA A 4 6.087 -3.504 -15.301 1.00 11.43 C ATOM 0 H ALA A 4 7.666 -2.678 -13.554 1.00 62.22 H new ATOM 0 HA ALA A 4 7.558 -2.343 -16.393 1.00 54.43 H new ATOM 0 HB1 ALA A 4 5.412 -3.598 -16.152 1.00 11.43 H new ATOM 0 HB2 ALA A 4 6.722 -4.388 -15.242 1.00 11.43 H new ATOM 0 HB3 ALA A 4 5.505 -3.414 -14.384 1.00 11.43 H new ATOM 45 N LYS A 5 5.591 -0.719 -16.767 1.00 2.44 N ATOM 46 CA LYS A 5 4.675 0.365 -16.977 1.00 73.42 C ATOM 47 C LYS A 5 3.267 -0.196 -16.753 1.00 52.34 C ATOM 48 O LYS A 5 3.068 -1.407 -16.919 1.00 32.33 O ATOM 49 CB LYS A 5 4.831 0.915 -18.388 1.00 21.11 C ATOM 50 CG LYS A 5 4.253 2.334 -18.524 1.00 1.25 C ATOM 51 CD LYS A 5 4.531 2.907 -19.914 1.00 71.31 C ATOM 52 CE LYS A 5 3.493 2.423 -20.913 1.00 14.41 C ATOM 53 NZ LYS A 5 3.679 3.092 -22.261 1.00 55.04 N ATOM 0 H LYS A 5 5.829 -1.238 -17.612 1.00 2.44 H new ATOM 0 HA LYS A 5 4.868 1.189 -16.290 1.00 73.42 H new ATOM 0 HB2 LYS A 5 5.887 0.927 -18.657 1.00 21.11 H new ATOM 0 HB3 LYS A 5 4.330 0.251 -19.093 1.00 21.11 H new ATOM 0 HG2 LYS A 5 3.178 2.312 -18.344 1.00 1.25 H new ATOM 0 HG3 LYS A 5 4.690 2.983 -17.765 1.00 1.25 H new ATOM 0 HD2 LYS A 5 4.522 3.996 -19.872 1.00 71.31 H new ATOM 0 HD3 LYS A 5 5.526 2.609 -20.243 1.00 71.31 H new ATOM 0 HE2 LYS A 5 3.570 1.342 -21.027 1.00 14.41 H new ATOM 0 HE3 LYS A 5 2.493 2.634 -20.534 1.00 14.41 H new ATOM 0 HZ1 LYS A 5 2.759 3.172 -22.739 1.00 55.04 H new ATOM 0 HZ2 LYS A 5 4.082 4.041 -22.125 1.00 55.04 H new ATOM 0 HZ3 LYS A 5 4.324 2.522 -22.845 1.00 55.04 H new ATOM 67 N ALA A 6 2.320 0.642 -16.398 1.00 22.11 N ATOM 68 CA ALA A 6 0.933 0.226 -16.213 1.00 15.42 C ATOM 69 C ALA A 6 0.409 -0.320 -17.559 1.00 1.32 C ATOM 70 O ALA A 6 0.865 0.126 -18.621 1.00 74.42 O ATOM 71 CB ALA A 6 0.066 1.419 -15.738 1.00 75.05 C ATOM 0 H ALA A 6 2.482 1.635 -16.227 1.00 22.11 H new ATOM 0 HA ALA A 6 0.876 -0.549 -15.449 1.00 15.42 H new ATOM 0 HB1 ALA A 6 -0.965 1.090 -15.606 1.00 75.05 H new ATOM 0 HB2 ALA A 6 0.452 1.794 -14.790 1.00 75.05 H new ATOM 0 HB3 ALA A 6 0.100 2.213 -16.484 1.00 75.05 H new ATOM 77 N PRO A 7 -0.531 -1.269 -17.532 1.00 51.41 N ATOM 78 CA PRO A 7 -0.986 -1.736 -18.842 1.00 55.20 C ATOM 79 C PRO A 7 -1.838 -0.734 -19.594 1.00 5.54 C ATOM 80 O PRO A 7 -2.529 0.072 -18.994 1.00 43.43 O ATOM 81 CB PRO A 7 -1.791 -2.976 -18.488 1.00 40.33 C ATOM 82 CG PRO A 7 -2.357 -2.688 -17.145 1.00 3.25 C ATOM 83 CD PRO A 7 -1.226 -1.974 -16.436 1.00 62.41 C ATOM 0 HA PRO A 7 -0.150 -1.912 -19.518 1.00 55.20 H new ATOM 0 HB2 PRO A 7 -2.579 -3.159 -19.219 1.00 40.33 H new ATOM 0 HB3 PRO A 7 -1.161 -3.865 -18.470 1.00 40.33 H new ATOM 0 HG2 PRO A 7 -3.249 -2.064 -17.210 1.00 3.25 H new ATOM 0 HG3 PRO A 7 -2.644 -3.602 -16.625 1.00 3.25 H new ATOM 0 HD2 PRO A 7 -1.598 -1.279 -15.683 1.00 62.41 H new ATOM 0 HD3 PRO A 7 -0.565 -2.674 -15.925 1.00 62.41 H new ATOM 91 N GLU A 8 -1.749 -0.779 -20.923 1.00 53.21 N ATOM 92 CA GLU A 8 -2.546 0.100 -21.770 1.00 63.43 C ATOM 93 C GLU A 8 -3.713 -0.718 -22.346 1.00 31.44 C ATOM 94 O GLU A 8 -3.536 -1.890 -22.689 1.00 11.24 O ATOM 95 CB GLU A 8 -1.694 0.583 -22.943 1.00 15.23 C ATOM 96 CG GLU A 8 -0.557 1.510 -22.555 1.00 31.11 C ATOM 97 CD GLU A 8 0.340 1.829 -23.750 1.00 62.33 C ATOM 98 OE1 GLU A 8 0.071 1.352 -24.876 1.00 30.32 O ATOM 99 OE2 GLU A 8 1.351 2.519 -23.554 1.00 3.20 O ATOM 0 H GLU A 8 -1.134 -1.414 -21.433 1.00 53.21 H new ATOM 0 HA GLU A 8 -2.904 0.949 -21.188 1.00 63.43 H new ATOM 0 HB2 GLU A 8 -1.280 -0.285 -23.456 1.00 15.23 H new ATOM 0 HB3 GLU A 8 -2.338 1.097 -23.656 1.00 15.23 H new ATOM 0 HG2 GLU A 8 -0.964 2.435 -22.147 1.00 31.11 H new ATOM 0 HG3 GLU A 8 0.037 1.048 -21.766 1.00 31.11 H new ATOM 106 N SER A 9 -4.853 -0.081 -22.531 1.00 34.14 N ATOM 107 CA SER A 9 -5.972 -0.710 -23.213 1.00 75.31 C ATOM 108 C SER A 9 -5.738 -0.601 -24.719 1.00 53.53 C ATOM 109 O SER A 9 -4.992 0.254 -25.168 1.00 51.02 O ATOM 110 CB SER A 9 -7.281 0.011 -22.860 1.00 15.00 C ATOM 111 OG SER A 9 -7.199 1.369 -23.246 1.00 64.44 O ATOM 0 H SER A 9 -5.031 0.874 -22.219 1.00 34.14 H new ATOM 0 HA SER A 9 -6.048 -1.753 -22.906 1.00 75.31 H new ATOM 0 HB2 SER A 9 -8.119 -0.470 -23.364 1.00 15.00 H new ATOM 0 HB3 SER A 9 -7.469 -0.061 -21.789 1.00 15.00 H new ATOM 0 HG SER A 9 -6.624 1.854 -22.617 1.00 64.44 H new ATOM 117 N ALA A 10 -6.421 -1.424 -25.506 1.00 53.43 N ATOM 118 CA ALA A 10 -6.339 -1.315 -26.976 1.00 11.41 C ATOM 119 C ALA A 10 -6.849 0.061 -27.409 1.00 65.52 C ATOM 120 O ALA A 10 -6.345 0.640 -28.361 1.00 44.32 O ATOM 121 CB ALA A 10 -7.135 -2.430 -27.655 1.00 35.44 C ATOM 0 H ALA A 10 -7.032 -2.167 -25.167 1.00 53.43 H new ATOM 0 HA ALA A 10 -5.299 -1.425 -27.283 1.00 11.41 H new ATOM 0 HB1 ALA A 10 -7.057 -2.325 -28.737 1.00 35.44 H new ATOM 0 HB2 ALA A 10 -6.734 -3.398 -27.354 1.00 35.44 H new ATOM 0 HB3 ALA A 10 -8.182 -2.362 -27.358 1.00 35.44 H new ATOM 127 N THR A 11 -7.838 0.558 -26.682 1.00 54.00 N ATOM 128 CA THR A 11 -8.454 1.854 -26.964 1.00 72.13 C ATOM 129 C THR A 11 -7.440 3.011 -26.902 1.00 24.21 C ATOM 130 O THR A 11 -7.448 3.884 -27.747 1.00 2.42 O ATOM 131 CB THR A 11 -9.563 2.155 -25.938 1.00 23.21 C ATOM 132 OG1 THR A 11 -10.228 0.942 -25.616 1.00 22.20 O ATOM 133 CG2 THR A 11 -10.577 3.163 -26.496 1.00 75.32 C ATOM 0 H THR A 11 -8.240 0.076 -25.878 1.00 54.00 H new ATOM 0 HA THR A 11 -8.858 1.786 -27.974 1.00 72.13 H new ATOM 0 HB THR A 11 -9.109 2.590 -25.048 1.00 23.21 H new ATOM 0 HG1 THR A 11 -10.936 1.121 -24.962 1.00 22.20 H new ATOM 0 HG21 THR A 11 -11.347 3.355 -25.749 1.00 75.32 H new ATOM 0 HG22 THR A 11 -10.067 4.095 -26.740 1.00 75.32 H new ATOM 0 HG23 THR A 11 -11.038 2.755 -27.396 1.00 75.32 H new ATOM 141 N GLU A 12 -6.559 2.971 -25.903 1.00 43.04 N ATOM 142 CA GLU A 12 -5.550 4.018 -25.711 1.00 31.35 C ATOM 143 C GLU A 12 -4.664 4.112 -26.908 1.00 62.21 C ATOM 144 O GLU A 12 -4.316 5.196 -27.335 1.00 32.14 O ATOM 145 CB GLU A 12 -4.681 3.724 -24.503 1.00 14.41 C ATOM 146 CG GLU A 12 -5.281 4.255 -23.238 1.00 54.25 C ATOM 147 CD GLU A 12 -4.716 3.568 -22.024 1.00 34.12 C ATOM 148 OE1 GLU A 12 -5.327 2.549 -21.623 1.00 12.51 O ATOM 149 OE2 GLU A 12 -3.755 4.053 -21.430 1.00 4.41 O ATOM 0 H GLU A 12 -6.522 2.223 -25.211 1.00 43.04 H new ATOM 0 HA GLU A 12 -6.082 4.957 -25.559 1.00 31.35 H new ATOM 0 HB2 GLU A 12 -4.538 2.647 -24.412 1.00 14.41 H new ATOM 0 HB3 GLU A 12 -3.695 4.165 -24.650 1.00 14.41 H new ATOM 0 HG2 GLU A 12 -5.096 5.327 -23.169 1.00 54.25 H new ATOM 0 HG3 GLU A 12 -6.362 4.119 -23.263 1.00 54.25 H new ATOM 156 N LYS A 13 -4.305 2.962 -27.464 1.00 63.13 N ATOM 157 CA LYS A 13 -3.373 2.949 -28.576 1.00 72.01 C ATOM 158 C LYS A 13 -3.980 3.610 -29.818 1.00 30.51 C ATOM 159 O LYS A 13 -3.311 4.335 -30.533 1.00 61.14 O ATOM 160 CB LYS A 13 -2.954 1.515 -28.911 1.00 43.31 C ATOM 161 CG LYS A 13 -2.383 0.744 -27.705 1.00 22.41 C ATOM 162 CD LYS A 13 -1.766 -0.603 -28.111 1.00 12.22 C ATOM 163 CE LYS A 13 -0.277 -0.463 -28.352 1.00 2.15 C ATOM 164 NZ LYS A 13 0.443 -0.248 -27.045 1.00 12.52 N ATOM 0 H LYS A 13 -4.639 2.045 -27.168 1.00 63.13 H new ATOM 0 HA LYS A 13 -2.494 3.519 -28.274 1.00 72.01 H new ATOM 0 HB2 LYS A 13 -3.816 0.975 -29.302 1.00 43.31 H new ATOM 0 HB3 LYS A 13 -2.206 1.539 -29.704 1.00 43.31 H new ATOM 0 HG2 LYS A 13 -1.626 1.354 -27.213 1.00 22.41 H new ATOM 0 HG3 LYS A 13 -3.177 0.573 -26.978 1.00 22.41 H new ATOM 0 HD2 LYS A 13 -1.944 -1.340 -27.328 1.00 12.22 H new ATOM 0 HD3 LYS A 13 -2.252 -0.973 -29.014 1.00 12.22 H new ATOM 0 HE2 LYS A 13 0.105 -1.358 -28.843 1.00 2.15 H new ATOM 0 HE3 LYS A 13 -0.087 0.375 -29.023 1.00 2.15 H new ATOM 0 HZ1 LYS A 13 1.412 0.080 -27.232 1.00 12.52 H new ATOM 0 HZ2 LYS A 13 -0.062 0.467 -26.484 1.00 12.52 H new ATOM 0 HZ3 LYS A 13 0.477 -1.143 -26.516 1.00 12.52 H new ATOM 178 N VAL A 14 -5.259 3.356 -30.053 1.00 44.23 N ATOM 179 CA VAL A 14 -5.967 3.908 -31.184 1.00 73.31 C ATOM 180 C VAL A 14 -6.124 5.421 -31.043 1.00 41.12 C ATOM 181 O VAL A 14 -5.752 6.185 -31.919 1.00 3.34 O ATOM 182 CB VAL A 14 -7.389 3.250 -31.286 1.00 51.01 C ATOM 183 CG1 VAL A 14 -8.207 3.934 -32.365 1.00 3.42 C ATOM 184 CG2 VAL A 14 -7.278 1.780 -31.615 1.00 64.13 C ATOM 0 H VAL A 14 -5.832 2.758 -29.458 1.00 44.23 H new ATOM 0 HA VAL A 14 -5.391 3.698 -32.085 1.00 73.31 H new ATOM 0 HB VAL A 14 -7.881 3.365 -30.320 1.00 51.01 H new ATOM 0 HG11 VAL A 14 -9.191 3.469 -32.426 1.00 3.42 H new ATOM 0 HG12 VAL A 14 -8.320 4.990 -32.121 1.00 3.42 H new ATOM 0 HG13 VAL A 14 -7.699 3.835 -33.324 1.00 3.42 H new ATOM 0 HG21 VAL A 14 -8.275 1.345 -31.681 1.00 64.13 H new ATOM 0 HG22 VAL A 14 -6.766 1.658 -32.569 1.00 64.13 H new ATOM 0 HG23 VAL A 14 -6.712 1.274 -30.833 1.00 64.13 H new ATOM 194 N LEU A 15 -6.655 5.874 -29.914 1.00 63.15 N ATOM 195 CA LEU A 15 -6.915 7.282 -29.773 1.00 44.31 C ATOM 196 C LEU A 15 -5.633 8.099 -29.595 1.00 72.54 C ATOM 197 O LEU A 15 -5.594 9.266 -29.958 1.00 61.44 O ATOM 198 CB LEU A 15 -7.900 7.553 -28.653 1.00 13.13 C ATOM 199 CG LEU A 15 -7.480 7.232 -27.211 1.00 40.51 C ATOM 200 CD1 LEU A 15 -6.957 8.506 -26.532 1.00 61.21 C ATOM 201 CD2 LEU A 15 -8.643 6.683 -26.425 1.00 33.43 C ATOM 0 H LEU A 15 -6.904 5.298 -29.110 1.00 63.15 H new ATOM 0 HA LEU A 15 -7.370 7.610 -30.708 1.00 44.31 H new ATOM 0 HB2 LEU A 15 -8.165 8.610 -28.693 1.00 13.13 H new ATOM 0 HB3 LEU A 15 -8.808 6.989 -28.867 1.00 13.13 H new ATOM 0 HG LEU A 15 -6.693 6.478 -27.239 1.00 40.51 H new ATOM 0 HD11 LEU A 15 -6.659 8.277 -25.509 1.00 61.21 H new ATOM 0 HD12 LEU A 15 -6.097 8.886 -27.084 1.00 61.21 H new ATOM 0 HD13 LEU A 15 -7.743 9.261 -26.521 1.00 61.21 H new ATOM 0 HD21 LEU A 15 -8.322 6.463 -25.407 1.00 33.43 H new ATOM 0 HD22 LEU A 15 -9.446 7.420 -26.401 1.00 33.43 H new ATOM 0 HD23 LEU A 15 -9.003 5.769 -26.898 1.00 33.43 H new ATOM 213 N CYS A 16 -4.578 7.482 -29.068 1.00 21.21 N ATOM 214 CA CYS A 16 -3.273 8.141 -28.948 1.00 53.15 C ATOM 215 C CYS A 16 -2.685 8.388 -30.342 1.00 74.43 C ATOM 216 O CYS A 16 -2.177 9.435 -30.607 1.00 22.10 O ATOM 217 CB CYS A 16 -2.317 7.296 -28.104 1.00 33.51 C ATOM 218 SG CYS A 16 -0.729 8.108 -27.764 1.00 32.23 S ATOM 0 H CYS A 16 -4.598 6.525 -28.716 1.00 21.21 H new ATOM 0 HA CYS A 16 -3.409 9.099 -28.447 1.00 53.15 H new ATOM 0 HB2 CYS A 16 -2.800 7.053 -27.158 1.00 33.51 H new ATOM 0 HB3 CYS A 16 -2.130 6.353 -28.618 1.00 33.51 H new ATOM 0 HG CYS A 16 0.015 7.322 -27.043 1.00 32.23 H new ATOM 224 N ALA A 17 -2.808 7.428 -31.238 1.00 5.13 N ATOM 225 CA ALA A 17 -2.305 7.610 -32.589 1.00 44.01 C ATOM 226 C ALA A 17 -3.059 8.797 -33.231 1.00 62.21 C ATOM 227 O ALA A 17 -2.481 9.618 -33.975 1.00 5.00 O ATOM 228 CB ALA A 17 -2.485 6.346 -33.402 1.00 53.50 C ATOM 0 H ALA A 17 -3.246 6.524 -31.060 1.00 5.13 H new ATOM 0 HA ALA A 17 -1.237 7.826 -32.564 1.00 44.01 H new ATOM 0 HB1 ALA A 17 -2.102 6.504 -34.410 1.00 53.50 H new ATOM 0 HB2 ALA A 17 -1.939 5.529 -32.930 1.00 53.50 H new ATOM 0 HB3 ALA A 17 -3.544 6.093 -33.452 1.00 53.50 H new ATOM 234 N LEU A 18 -4.331 8.888 -32.922 1.00 73.53 N ATOM 235 CA LEU A 18 -5.212 9.927 -33.459 1.00 12.41 C ATOM 236 C LEU A 18 -4.847 11.299 -32.916 1.00 12.23 C ATOM 237 O LEU A 18 -4.985 12.270 -33.634 1.00 2.30 O ATOM 238 CB LEU A 18 -6.642 9.608 -32.988 1.00 41.52 C ATOM 239 CG LEU A 18 -7.671 9.437 -34.117 1.00 54.13 C ATOM 240 CD1 LEU A 18 -7.289 8.287 -35.100 1.00 45.13 C ATOM 241 CD2 LEU A 18 -9.028 9.186 -33.486 1.00 62.43 C ATOM 0 H LEU A 18 -4.799 8.242 -32.286 1.00 73.53 H new ATOM 0 HA LEU A 18 -5.120 9.942 -34.545 1.00 12.41 H new ATOM 0 HB2 LEU A 18 -6.618 8.693 -32.396 1.00 41.52 H new ATOM 0 HB3 LEU A 18 -6.978 10.407 -32.327 1.00 41.52 H new ATOM 0 HG LEU A 18 -7.694 10.347 -34.716 1.00 54.13 H new ATOM 0 HD11 LEU A 18 -8.047 8.207 -35.879 1.00 45.13 H new ATOM 0 HD12 LEU A 18 -6.323 8.504 -35.555 1.00 45.13 H new ATOM 0 HD13 LEU A 18 -7.230 7.346 -34.553 1.00 45.13 H new ATOM 0 HD21 LEU A 18 -9.776 9.061 -34.269 1.00 62.43 H new ATOM 0 HD22 LEU A 18 -8.985 8.282 -32.878 1.00 62.43 H new ATOM 0 HD23 LEU A 18 -9.299 10.034 -32.857 1.00 62.43 H new ATOM 253 N TYR A 19 -4.303 11.395 -31.716 1.00 62.44 N ATOM 254 CA TYR A 19 -3.854 12.684 -31.185 1.00 23.03 C ATOM 255 C TYR A 19 -2.759 13.221 -32.139 1.00 42.45 C ATOM 256 O TYR A 19 -2.783 14.374 -32.508 1.00 24.03 O ATOM 257 CB TYR A 19 -3.197 12.555 -29.812 1.00 34.14 C ATOM 258 CG TYR A 19 -4.066 12.774 -28.606 1.00 4.23 C ATOM 259 CD1 TYR A 19 -5.319 12.120 -28.450 1.00 2.04 C ATOM 260 CD2 TYR A 19 -3.623 13.628 -27.567 1.00 12.13 C ATOM 261 CE1 TYR A 19 -6.090 12.315 -27.275 1.00 72.10 C ATOM 262 CE2 TYR A 19 -4.407 13.818 -26.391 1.00 71.50 C ATOM 263 CZ TYR A 19 -5.631 13.149 -26.260 1.00 45.15 C ATOM 264 OH TYR A 19 -6.398 13.336 -25.128 1.00 72.23 O ATOM 0 H TYR A 19 -4.159 10.604 -31.088 1.00 62.44 H new ATOM 0 HA TYR A 19 -4.726 13.332 -31.101 1.00 23.03 H new ATOM 0 HB2 TYR A 19 -2.764 11.557 -29.738 1.00 34.14 H new ATOM 0 HB3 TYR A 19 -2.371 13.265 -29.766 1.00 34.14 H new ATOM 0 HD1 TYR A 19 -5.686 11.471 -29.231 1.00 2.04 H new ATOM 0 HD2 TYR A 19 -2.679 14.142 -27.666 1.00 12.13 H new ATOM 0 HE1 TYR A 19 -7.040 11.813 -27.168 1.00 72.10 H new ATOM 0 HE2 TYR A 19 -4.059 14.474 -25.606 1.00 71.50 H new ATOM 0 HH TYR A 19 -5.942 13.958 -24.523 1.00 72.23 H new ATOM 274 N ALA A 20 -1.829 12.361 -32.560 1.00 60.24 N ATOM 275 CA ALA A 20 -0.724 12.773 -33.364 1.00 11.11 C ATOM 276 C ALA A 20 -1.175 13.384 -34.720 1.00 61.03 C ATOM 277 O ALA A 20 -0.592 14.363 -35.172 1.00 74.23 O ATOM 278 CB ALA A 20 0.222 11.581 -33.648 1.00 40.24 C ATOM 0 H ALA A 20 -1.839 11.365 -32.342 1.00 60.24 H new ATOM 0 HA ALA A 20 -0.201 13.541 -32.795 1.00 11.11 H new ATOM 0 HB1 ALA A 20 1.057 11.918 -34.262 1.00 40.24 H new ATOM 0 HB2 ALA A 20 0.601 11.185 -32.706 1.00 40.24 H new ATOM 0 HB3 ALA A 20 -0.325 10.800 -34.176 1.00 40.24 H new ATOM 284 N GLU A 21 -2.188 12.802 -35.346 1.00 23.25 N ATOM 285 CA GLU A 21 -2.630 13.281 -36.634 1.00 2.23 C ATOM 286 C GLU A 21 -3.495 14.526 -36.578 1.00 32.41 C ATOM 287 O GLU A 21 -3.494 15.326 -37.516 1.00 72.21 O ATOM 288 CB GLU A 21 -3.379 12.165 -37.387 1.00 12.41 C ATOM 289 CG GLU A 21 -4.788 11.828 -36.987 1.00 73.41 C ATOM 290 CD GLU A 21 -5.480 10.874 -37.896 1.00 62.32 C ATOM 291 OE1 GLU A 21 -5.218 9.663 -37.851 1.00 11.04 O ATOM 292 OE2 GLU A 21 -6.339 11.348 -38.682 1.00 53.13 O ATOM 0 H GLU A 21 -2.711 12.005 -34.982 1.00 23.25 H new ATOM 0 HA GLU A 21 -1.723 13.566 -37.167 1.00 2.23 H new ATOM 0 HB2 GLU A 21 -3.393 12.434 -38.443 1.00 12.41 H new ATOM 0 HB3 GLU A 21 -2.786 11.255 -37.298 1.00 12.41 H new ATOM 0 HG2 GLU A 21 -4.775 11.407 -35.982 1.00 73.41 H new ATOM 0 HG3 GLU A 21 -5.368 12.750 -36.939 1.00 73.41 H new ATOM 299 N ILE A 22 -4.217 14.704 -35.472 1.00 24.22 N ATOM 300 CA ILE A 22 -5.091 15.841 -35.319 1.00 74.14 C ATOM 301 C ILE A 22 -4.310 17.094 -34.856 1.00 10.11 C ATOM 302 O ILE A 22 -4.627 18.230 -35.235 1.00 45.11 O ATOM 303 CB ILE A 22 -6.224 15.481 -34.251 1.00 61.51 C ATOM 304 CG1 ILE A 22 -7.158 14.390 -34.782 1.00 51.14 C ATOM 305 CG2 ILE A 22 -7.058 16.732 -33.888 1.00 12.31 C ATOM 306 CD1 ILE A 22 -8.039 14.794 -35.961 1.00 42.23 C ATOM 0 H ILE A 22 -4.206 14.068 -34.674 1.00 24.22 H new ATOM 0 HA ILE A 22 -5.541 16.070 -36.285 1.00 74.14 H new ATOM 0 HB ILE A 22 -5.720 15.113 -33.357 1.00 61.51 H new ATOM 0 HG12 ILE A 22 -6.554 13.533 -35.079 1.00 51.14 H new ATOM 0 HG13 ILE A 22 -7.802 14.059 -33.967 1.00 51.14 H new ATOM 0 HG21 ILE A 22 -7.822 16.461 -33.160 1.00 12.31 H new ATOM 0 HG22 ILE A 22 -6.405 17.494 -33.462 1.00 12.31 H new ATOM 0 HG23 ILE A 22 -7.535 17.124 -34.786 1.00 12.31 H new ATOM 0 HD11 ILE A 22 -8.660 13.949 -36.258 1.00 42.23 H new ATOM 0 HD12 ILE A 22 -8.677 15.628 -35.669 1.00 42.23 H new ATOM 0 HD13 ILE A 22 -7.410 15.094 -36.799 1.00 42.23 H new ATOM 318 N LEU A 23 -3.297 16.861 -34.074 1.00 1.35 N ATOM 319 CA LEU A 23 -2.460 17.939 -33.542 1.00 43.45 C ATOM 320 C LEU A 23 -1.316 18.232 -34.512 1.00 24.15 C ATOM 321 O LEU A 23 -0.816 19.343 -34.583 1.00 43.34 O ATOM 322 CB LEU A 23 -1.872 17.554 -32.179 1.00 72.51 C ATOM 323 CG LEU A 23 -2.903 17.385 -31.045 1.00 70.50 C ATOM 324 CD1 LEU A 23 -2.333 16.555 -29.910 1.00 72.42 C ATOM 325 CD2 LEU A 23 -3.288 18.757 -30.539 1.00 1.14 C ATOM 0 H LEU A 23 -3.014 15.927 -33.777 1.00 1.35 H new ATOM 0 HA LEU A 23 -3.084 18.824 -33.421 1.00 43.45 H new ATOM 0 HB2 LEU A 23 -1.321 16.620 -32.289 1.00 72.51 H new ATOM 0 HB3 LEU A 23 -1.152 18.317 -31.883 1.00 72.51 H new ATOM 0 HG LEU A 23 -3.779 16.864 -31.430 1.00 70.50 H new ATOM 0 HD11 LEU A 23 -3.081 16.451 -29.124 1.00 72.42 H new ATOM 0 HD12 LEU A 23 -2.059 15.568 -30.283 1.00 72.42 H new ATOM 0 HD13 LEU A 23 -1.449 17.048 -29.507 1.00 72.42 H new ATOM 0 HD21 LEU A 23 -4.018 18.657 -29.735 1.00 1.14 H new ATOM 0 HD22 LEU A 23 -2.402 19.268 -30.163 1.00 1.14 H new ATOM 0 HD23 LEU A 23 -3.723 19.336 -31.354 1.00 1.14 H new ATOM 337 N GLY A 24 -0.934 17.237 -35.289 1.00 33.14 N ATOM 338 CA GLY A 24 0.134 17.394 -36.264 1.00 62.22 C ATOM 339 C GLY A 24 1.511 17.374 -35.648 1.00 73.14 C ATOM 340 O GLY A 24 2.436 17.993 -36.194 1.00 35.35 O ATOM 0 H GLY A 24 -1.349 16.305 -35.265 1.00 33.14 H new ATOM 0 HA2 GLY A 24 0.062 16.596 -37.003 1.00 62.22 H new ATOM 0 HA3 GLY A 24 -0.005 18.335 -36.797 1.00 62.22 H new ATOM 344 N VAL A 25 1.654 16.674 -34.527 1.00 14.15 N ATOM 345 CA VAL A 25 2.919 16.659 -33.805 1.00 2.34 C ATOM 346 C VAL A 25 3.724 15.405 -34.061 1.00 22.23 C ATOM 347 O VAL A 25 3.176 14.382 -34.493 1.00 20.33 O ATOM 348 CB VAL A 25 2.681 16.799 -32.264 1.00 74.01 C ATOM 349 CG1 VAL A 25 2.106 18.201 -31.968 1.00 63.41 C ATOM 350 CG2 VAL A 25 1.711 15.698 -31.725 1.00 22.32 C ATOM 0 H VAL A 25 0.915 16.114 -34.102 1.00 14.15 H new ATOM 0 HA VAL A 25 3.489 17.510 -34.178 1.00 2.34 H new ATOM 0 HB VAL A 25 3.636 16.669 -31.755 1.00 74.01 H new ATOM 0 HG11 VAL A 25 1.937 18.306 -30.896 1.00 63.41 H new ATOM 0 HG12 VAL A 25 2.812 18.962 -32.301 1.00 63.41 H new ATOM 0 HG13 VAL A 25 1.162 18.326 -32.498 1.00 63.41 H new ATOM 0 HG21 VAL A 25 1.572 15.830 -30.652 1.00 22.32 H new ATOM 0 HG22 VAL A 25 0.748 15.783 -32.229 1.00 22.32 H new ATOM 0 HG23 VAL A 25 2.136 14.713 -31.918 1.00 22.32 H new ATOM 360 N GLU A 26 5.039 15.491 -33.820 1.00 54.44 N ATOM 361 CA GLU A 26 5.961 14.392 -34.113 1.00 54.10 C ATOM 362 C GLU A 26 5.700 13.170 -33.252 1.00 21.43 C ATOM 363 O GLU A 26 5.873 12.020 -33.677 1.00 14.01 O ATOM 364 CB GLU A 26 7.404 14.853 -33.855 1.00 23.21 C ATOM 365 CG GLU A 26 7.893 15.977 -34.751 1.00 43.23 C ATOM 366 CD GLU A 26 9.301 16.372 -34.352 1.00 3.25 C ATOM 367 OE1 GLU A 26 10.246 15.638 -34.728 1.00 64.53 O ATOM 368 OE2 GLU A 26 9.470 17.384 -33.623 1.00 5.03 O ATOM 0 H GLU A 26 5.487 16.316 -33.421 1.00 54.44 H new ATOM 0 HA GLU A 26 5.808 14.118 -35.157 1.00 54.10 H new ATOM 0 HB2 GLU A 26 7.485 15.176 -32.817 1.00 23.21 H new ATOM 0 HB3 GLU A 26 8.069 13.998 -33.976 1.00 23.21 H new ATOM 0 HG2 GLU A 26 7.876 15.658 -35.793 1.00 43.23 H new ATOM 0 HG3 GLU A 26 7.227 16.836 -34.670 1.00 43.23 H new ATOM 375 N ARG A 27 5.332 13.402 -31.999 1.00 62.11 N ATOM 376 CA ARG A 27 5.101 12.339 -31.003 1.00 12.11 C ATOM 377 C ARG A 27 4.001 12.765 -30.072 1.00 64.22 C ATOM 378 O ARG A 27 3.806 13.975 -29.800 1.00 71.34 O ATOM 379 CB ARG A 27 6.347 12.058 -30.166 1.00 64.03 C ATOM 380 CG ARG A 27 7.533 11.457 -30.962 1.00 21.12 C ATOM 381 CD ARG A 27 8.643 11.027 -30.014 1.00 13.12 C ATOM 382 NE ARG A 27 9.235 12.181 -29.314 1.00 54.43 N ATOM 383 CZ ARG A 27 10.076 12.110 -28.281 1.00 0.12 C ATOM 384 NH1 ARG A 27 10.462 10.951 -27.789 1.00 71.10 N ATOM 385 NH2 ARG A 27 10.523 13.217 -27.742 1.00 10.25 N ATOM 0 H ARG A 27 5.181 14.341 -31.631 1.00 62.11 H new ATOM 0 HA ARG A 27 4.835 11.433 -31.547 1.00 12.11 H new ATOM 0 HB2 ARG A 27 6.673 12.987 -29.699 1.00 64.03 H new ATOM 0 HB3 ARG A 27 6.082 11.373 -29.361 1.00 64.03 H new ATOM 0 HG2 ARG A 27 7.192 10.601 -31.545 1.00 21.12 H new ATOM 0 HG3 ARG A 27 7.915 12.193 -31.670 1.00 21.12 H new ATOM 0 HD2 ARG A 27 8.246 10.322 -29.284 1.00 13.12 H new ATOM 0 HD3 ARG A 27 9.418 10.503 -30.574 1.00 13.12 H new ATOM 0 HE ARG A 27 8.981 13.111 -29.647 1.00 54.43 H new ATOM 0 HH11 ARG A 27 10.117 10.083 -28.198 1.00 71.10 H new ATOM 0 HH12 ARG A 27 11.106 10.922 -26.998 1.00 71.10 H new ATOM 0 HH21 ARG A 27 10.228 14.120 -28.113 1.00 10.25 H new ATOM 0 HH22 ARG A 27 11.166 13.176 -26.952 1.00 10.25 H new ATOM 399 N VAL A 28 3.382 11.763 -29.453 1.00 2.21 N ATOM 400 CA VAL A 28 2.426 11.954 -28.403 1.00 52.24 C ATOM 401 C VAL A 28 2.626 10.718 -27.500 1.00 13.24 C ATOM 402 O VAL A 28 2.848 9.601 -28.017 1.00 4.10 O ATOM 403 CB VAL A 28 0.946 12.067 -28.999 1.00 54.02 C ATOM 404 CG1 VAL A 28 0.647 10.938 -29.923 1.00 14.32 C ATOM 405 CG2 VAL A 28 -0.046 12.144 -27.905 1.00 4.01 C ATOM 0 H VAL A 28 3.545 10.783 -29.683 1.00 2.21 H new ATOM 0 HA VAL A 28 2.564 12.880 -27.845 1.00 52.24 H new ATOM 0 HB VAL A 28 0.882 12.986 -29.581 1.00 54.02 H new ATOM 0 HG11 VAL A 28 -0.366 11.044 -30.311 1.00 14.32 H new ATOM 0 HG12 VAL A 28 1.356 10.948 -30.751 1.00 14.32 H new ATOM 0 HG13 VAL A 28 0.732 9.994 -29.384 1.00 14.32 H new ATOM 0 HG21 VAL A 28 -1.048 12.221 -28.327 1.00 4.01 H new ATOM 0 HG22 VAL A 28 0.021 11.247 -27.289 1.00 4.01 H new ATOM 0 HG23 VAL A 28 0.157 13.021 -27.291 1.00 4.01 H new ATOM 415 N GLY A 29 2.624 10.922 -26.187 1.00 21.42 N ATOM 416 CA GLY A 29 2.761 9.833 -25.247 1.00 70.21 C ATOM 417 C GLY A 29 1.392 9.550 -24.648 1.00 1.22 C ATOM 418 O GLY A 29 0.462 10.330 -24.829 1.00 50.51 O ATOM 0 H GLY A 29 2.528 11.841 -25.755 1.00 21.42 H new ATOM 0 HA2 GLY A 29 3.148 8.945 -25.747 1.00 70.21 H new ATOM 0 HA3 GLY A 29 3.473 10.094 -24.464 1.00 70.21 H new ATOM 422 N VAL A 30 1.254 8.447 -23.931 1.00 62.44 N ATOM 423 CA VAL A 30 -0.039 8.122 -23.295 1.00 74.20 C ATOM 424 C VAL A 30 -0.345 9.128 -22.175 1.00 25.05 C ATOM 425 O VAL A 30 -1.486 9.282 -21.787 1.00 20.42 O ATOM 426 CB VAL A 30 -0.066 6.685 -22.696 1.00 35.53 C ATOM 427 CG1 VAL A 30 -0.554 5.696 -23.751 1.00 34.51 C ATOM 428 CG2 VAL A 30 1.339 6.290 -22.169 1.00 34.20 C ATOM 0 H VAL A 30 1.996 7.766 -23.769 1.00 62.44 H new ATOM 0 HA VAL A 30 -0.795 8.177 -24.079 1.00 74.20 H new ATOM 0 HB VAL A 30 -0.756 6.662 -21.853 1.00 35.53 H new ATOM 0 HG11 VAL A 30 -0.571 4.692 -23.328 1.00 34.51 H new ATOM 0 HG12 VAL A 30 -1.559 5.972 -24.072 1.00 34.51 H new ATOM 0 HG13 VAL A 30 0.119 5.717 -24.608 1.00 34.51 H new ATOM 0 HG21 VAL A 30 1.302 5.283 -21.754 1.00 34.20 H new ATOM 0 HG22 VAL A 30 2.056 6.318 -22.989 1.00 34.20 H new ATOM 0 HG23 VAL A 30 1.647 6.991 -21.393 1.00 34.20 H new ATOM 438 N ASP A 31 0.685 9.768 -21.685 1.00 62.30 N ATOM 439 CA ASP A 31 0.553 10.708 -20.601 1.00 73.11 C ATOM 440 C ASP A 31 0.679 12.138 -21.089 1.00 22.03 C ATOM 441 O ASP A 31 0.817 13.054 -20.333 1.00 0.03 O ATOM 442 CB ASP A 31 1.640 10.424 -19.570 1.00 2.44 C ATOM 443 CG ASP A 31 1.562 9.021 -18.976 1.00 44.22 C ATOM 444 OD1 ASP A 31 0.520 8.648 -18.437 1.00 31.31 O ATOM 445 OD2 ASP A 31 2.567 8.260 -19.115 1.00 44.00 O ATOM 0 H ASP A 31 1.639 9.653 -22.026 1.00 62.30 H new ATOM 0 HA ASP A 31 -0.436 10.592 -20.158 1.00 73.11 H new ATOM 0 HB2 ASP A 31 2.616 10.559 -20.036 1.00 2.44 H new ATOM 0 HB3 ASP A 31 1.567 11.156 -18.765 1.00 2.44 H new ATOM 450 N ASP A 32 0.632 12.339 -22.403 1.00 43.34 N ATOM 451 CA ASP A 32 0.890 13.665 -22.978 1.00 21.53 C ATOM 452 C ASP A 32 -0.377 14.520 -23.070 1.00 14.52 C ATOM 453 O ASP A 32 -1.459 14.008 -23.338 1.00 65.15 O ATOM 454 CB ASP A 32 1.506 13.522 -24.382 1.00 43.51 C ATOM 455 CG ASP A 32 2.538 14.561 -24.642 1.00 12.41 C ATOM 456 OD1 ASP A 32 2.396 15.705 -24.166 1.00 41.12 O ATOM 457 OD2 ASP A 32 3.538 14.211 -25.304 1.00 31.03 O ATOM 0 H ASP A 32 0.421 11.613 -23.087 1.00 43.34 H new ATOM 0 HA ASP A 32 1.586 14.170 -22.308 1.00 21.53 H new ATOM 0 HB2 ASP A 32 1.953 12.533 -24.484 1.00 43.51 H new ATOM 0 HB3 ASP A 32 0.719 13.595 -25.133 1.00 43.51 H new ATOM 462 N ALA A 33 -0.301 15.802 -22.763 1.00 11.21 N ATOM 463 CA ALA A 33 -1.504 16.621 -22.690 1.00 3.24 C ATOM 464 C ALA A 33 -1.806 17.235 -24.044 1.00 71.32 C ATOM 465 O ALA A 33 -0.950 17.839 -24.672 1.00 71.33 O ATOM 466 CB ALA A 33 -1.329 17.703 -21.636 1.00 5.42 C ATOM 0 H ALA A 33 0.568 16.297 -22.562 1.00 11.21 H new ATOM 0 HA ALA A 33 -2.347 15.991 -22.406 1.00 3.24 H new ATOM 0 HB1 ALA A 33 -2.232 18.312 -21.586 1.00 5.42 H new ATOM 0 HB2 ALA A 33 -1.150 17.240 -20.666 1.00 5.42 H new ATOM 0 HB3 ALA A 33 -0.480 18.334 -21.900 1.00 5.42 H new ATOM 472 N PHE A 34 -3.064 17.164 -24.447 1.00 75.04 N ATOM 473 CA PHE A 34 -3.527 17.732 -25.739 1.00 1.31 C ATOM 474 C PHE A 34 -3.165 19.210 -25.849 1.00 60.25 C ATOM 475 O PHE A 34 -2.853 19.688 -26.921 1.00 0.04 O ATOM 476 CB PHE A 34 -5.039 17.558 -25.818 1.00 41.40 C ATOM 477 CG PHE A 34 -5.630 17.828 -27.177 1.00 32.44 C ATOM 478 CD1 PHE A 34 -5.786 16.797 -28.121 1.00 71.02 C ATOM 479 CD2 PHE A 34 -6.073 19.121 -27.493 1.00 71.13 C ATOM 480 CE1 PHE A 34 -6.396 17.059 -29.372 1.00 12.24 C ATOM 481 CE2 PHE A 34 -6.674 19.399 -28.729 1.00 15.24 C ATOM 482 CZ PHE A 34 -6.836 18.355 -29.682 1.00 1.14 C ATOM 0 H PHE A 34 -3.803 16.717 -23.904 1.00 75.04 H new ATOM 0 HA PHE A 34 -3.038 17.211 -26.562 1.00 1.31 H new ATOM 0 HB2 PHE A 34 -5.290 16.539 -25.523 1.00 41.40 H new ATOM 0 HB3 PHE A 34 -5.507 18.225 -25.094 1.00 41.40 H new ATOM 0 HD1 PHE A 34 -5.439 15.801 -27.891 1.00 71.02 H new ATOM 0 HD2 PHE A 34 -5.949 19.916 -26.772 1.00 71.13 H new ATOM 0 HE1 PHE A 34 -6.523 16.261 -30.088 1.00 12.24 H new ATOM 0 HE2 PHE A 34 -7.012 20.399 -28.956 1.00 15.24 H new ATOM 0 HZ PHE A 34 -7.295 18.559 -30.638 1.00 1.14 H new ATOM 492 N HIS A 35 -3.181 19.921 -24.732 1.00 11.22 N ATOM 493 CA HIS A 35 -2.845 21.345 -24.735 1.00 1.11 C ATOM 494 C HIS A 35 -1.346 21.656 -24.613 1.00 53.02 C ATOM 495 O HIS A 35 -0.940 22.775 -24.898 1.00 10.22 O ATOM 496 CB HIS A 35 -3.618 22.070 -23.624 1.00 61.13 C ATOM 497 CG HIS A 35 -3.319 21.571 -22.245 1.00 2.31 C ATOM 498 ND1 HIS A 35 -4.251 20.989 -21.432 1.00 4.15 N ATOM 499 CD2 HIS A 35 -2.156 21.588 -21.525 1.00 53.32 C ATOM 500 CE1 HIS A 35 -3.646 20.656 -20.294 1.00 62.22 C ATOM 501 NE2 HIS A 35 -2.367 20.992 -20.296 1.00 30.41 N ATOM 0 H HIS A 35 -3.421 19.543 -23.815 1.00 11.22 H new ATOM 0 HA HIS A 35 -3.142 21.710 -25.718 1.00 1.11 H new ATOM 0 HB2 HIS A 35 -3.388 23.134 -23.671 1.00 61.13 H new ATOM 0 HB3 HIS A 35 -4.687 21.966 -23.813 1.00 61.13 H new ATOM 0 HD2 HIS A 35 -1.218 22.003 -21.864 1.00 53.32 H new ATOM 0 HE1 HIS A 35 -4.141 20.169 -19.467 1.00 62.22 H new ATOM 0 HE2 HIS A 35 -1.685 20.844 -19.552 1.00 30.41 H new ATOM 509 N ASP A 36 -0.535 20.689 -24.193 1.00 3.40 N ATOM 510 CA ASP A 36 0.919 20.907 -24.094 1.00 64.32 C ATOM 511 C ASP A 36 1.457 20.838 -25.528 1.00 5.42 C ATOM 512 O ASP A 36 2.312 21.616 -25.938 1.00 52.32 O ATOM 513 CB ASP A 36 1.555 19.804 -23.248 1.00 3.41 C ATOM 514 CG ASP A 36 3.038 20.042 -22.995 1.00 62.14 C ATOM 515 OD1 ASP A 36 3.409 21.137 -22.512 1.00 70.44 O ATOM 516 OD2 ASP A 36 3.825 19.094 -23.193 1.00 21.33 O ATOM 0 H ASP A 36 -0.846 19.757 -23.918 1.00 3.40 H new ATOM 0 HA ASP A 36 1.149 21.863 -23.624 1.00 64.32 H new ATOM 0 HB2 ASP A 36 1.033 19.737 -22.293 1.00 3.41 H new ATOM 0 HB3 ASP A 36 1.425 18.845 -23.750 1.00 3.41 H new ATOM 521 N LEU A 37 0.828 19.971 -26.293 1.00 14.22 N ATOM 522 CA LEU A 37 1.125 19.752 -27.695 1.00 31.00 C ATOM 523 C LEU A 37 0.540 20.834 -28.610 1.00 4.22 C ATOM 524 O LEU A 37 0.490 20.643 -29.825 1.00 24.32 O ATOM 525 CB LEU A 37 0.593 18.350 -28.074 1.00 61.13 C ATOM 526 CG LEU A 37 1.160 17.182 -27.269 1.00 61.12 C ATOM 527 CD1 LEU A 37 0.255 15.940 -27.476 1.00 14.42 C ATOM 528 CD2 LEU A 37 2.614 16.855 -27.679 1.00 74.24 C ATOM 0 H LEU A 37 0.072 19.380 -25.947 1.00 14.22 H new ATOM 0 HA LEU A 37 2.204 19.810 -27.840 1.00 31.00 H new ATOM 0 HB2 LEU A 37 -0.491 18.351 -27.962 1.00 61.13 H new ATOM 0 HB3 LEU A 37 0.804 18.175 -29.129 1.00 61.13 H new ATOM 0 HG LEU A 37 1.176 17.464 -26.216 1.00 61.12 H new ATOM 0 HD11 LEU A 37 0.652 15.101 -26.905 1.00 14.42 H new ATOM 0 HD12 LEU A 37 -0.755 16.165 -27.135 1.00 14.42 H new ATOM 0 HD13 LEU A 37 0.231 15.680 -28.534 1.00 14.42 H new ATOM 0 HD21 LEU A 37 2.981 16.019 -27.083 1.00 74.24 H new ATOM 0 HD22 LEU A 37 2.643 16.588 -28.735 1.00 74.24 H new ATOM 0 HD23 LEU A 37 3.245 17.727 -27.508 1.00 74.24 H new ATOM 540 N GLY A 38 0.131 21.967 -28.034 1.00 21.31 N ATOM 541 CA GLY A 38 -0.365 23.079 -28.819 1.00 41.55 C ATOM 542 C GLY A 38 -1.804 22.938 -29.307 1.00 63.41 C ATOM 543 O GLY A 38 -2.202 23.548 -30.301 1.00 21.13 O ATOM 0 H GLY A 38 0.137 22.130 -27.027 1.00 21.31 H new ATOM 0 HA2 GLY A 38 -0.288 23.988 -28.222 1.00 41.55 H new ATOM 0 HA3 GLY A 38 0.284 23.210 -29.685 1.00 41.55 H new ATOM 547 N GLY A 39 -2.580 22.106 -28.630 1.00 22.31 N ATOM 548 CA GLY A 39 -3.952 21.875 -29.030 1.00 20.01 C ATOM 549 C GLY A 39 -4.893 23.065 -28.961 1.00 14.34 C ATOM 550 O GLY A 39 -4.691 24.002 -28.219 1.00 2.13 O ATOM 0 H GLY A 39 -2.282 21.584 -27.806 1.00 22.31 H new ATOM 0 HA2 GLY A 39 -3.949 21.502 -30.054 1.00 20.01 H new ATOM 0 HA3 GLY A 39 -4.360 21.082 -28.403 1.00 20.01 H new ATOM 554 N SER A 40 -5.966 22.993 -29.737 1.00 23.22 N ATOM 555 CA SER A 40 -6.975 24.046 -29.797 1.00 52.12 C ATOM 556 C SER A 40 -8.375 23.484 -29.679 1.00 72.24 C ATOM 557 O SER A 40 -8.591 22.302 -29.940 1.00 53.41 O ATOM 558 CB SER A 40 -6.830 24.793 -31.127 1.00 54.50 C ATOM 559 OG SER A 40 -5.534 25.326 -31.275 1.00 44.34 O ATOM 0 H SER A 40 -6.163 22.199 -30.346 1.00 23.22 H new ATOM 0 HA SER A 40 -6.819 24.724 -28.958 1.00 52.12 H new ATOM 0 HB2 SER A 40 -7.043 24.114 -31.953 1.00 54.50 H new ATOM 0 HB3 SER A 40 -7.564 25.597 -31.177 1.00 54.50 H new ATOM 0 HG SER A 40 -5.469 25.796 -32.133 1.00 44.34 H new ATOM 565 N SER A 41 -9.347 24.312 -29.335 1.00 12.14 N ATOM 566 CA SER A 41 -10.747 23.887 -29.224 1.00 35.44 C ATOM 567 C SER A 41 -11.304 23.360 -30.555 1.00 15.32 C ATOM 568 O SER A 41 -12.093 22.409 -30.564 1.00 12.23 O ATOM 569 CB SER A 41 -11.591 25.059 -28.753 1.00 74.01 C ATOM 570 OG SER A 41 -11.246 26.227 -29.479 1.00 23.03 O ATOM 0 H SER A 41 -9.196 25.298 -29.123 1.00 12.14 H new ATOM 0 HA SER A 41 -10.788 23.069 -28.504 1.00 35.44 H new ATOM 0 HB2 SER A 41 -12.649 24.835 -28.890 1.00 74.01 H new ATOM 0 HB3 SER A 41 -11.436 25.224 -27.687 1.00 74.01 H new ATOM 0 HG SER A 41 -11.795 26.978 -29.171 1.00 23.03 H new ATOM 576 N ALA A 42 -10.867 23.953 -31.658 1.00 12.44 N ATOM 577 CA ALA A 42 -11.286 23.502 -32.972 1.00 22.20 C ATOM 578 C ALA A 42 -10.776 22.077 -33.241 1.00 23.31 C ATOM 579 O ALA A 42 -11.503 21.238 -33.802 1.00 1.41 O ATOM 580 CB ALA A 42 -10.760 24.464 -34.038 1.00 62.23 C ATOM 0 H ALA A 42 -10.224 24.745 -31.666 1.00 12.44 H new ATOM 0 HA ALA A 42 -12.375 23.487 -33.010 1.00 22.20 H new ATOM 0 HB1 ALA A 42 -11.076 24.123 -35.024 1.00 62.23 H new ATOM 0 HB2 ALA A 42 -11.157 25.462 -33.855 1.00 62.23 H new ATOM 0 HB3 ALA A 42 -9.671 24.493 -33.996 1.00 62.23 H new ATOM 586 N LEU A 43 -9.550 21.811 -32.812 1.00 62.43 N ATOM 587 CA LEU A 43 -8.954 20.501 -33.010 1.00 63.40 C ATOM 588 C LEU A 43 -9.592 19.482 -32.067 1.00 5.54 C ATOM 589 O LEU A 43 -9.703 18.301 -32.385 1.00 21.23 O ATOM 590 CB LEU A 43 -7.444 20.557 -32.798 1.00 1.53 C ATOM 591 CG LEU A 43 -6.664 21.458 -33.776 1.00 61.33 C ATOM 592 CD1 LEU A 43 -5.174 21.439 -33.423 1.00 34.54 C ATOM 593 CD2 LEU A 43 -6.894 20.999 -35.239 1.00 23.41 C ATOM 0 H LEU A 43 -8.953 22.482 -32.328 1.00 62.43 H new ATOM 0 HA LEU A 43 -9.140 20.188 -34.037 1.00 63.40 H new ATOM 0 HB2 LEU A 43 -7.251 20.902 -31.782 1.00 1.53 H new ATOM 0 HB3 LEU A 43 -7.048 19.544 -32.871 1.00 1.53 H new ATOM 0 HG LEU A 43 -7.029 22.481 -33.686 1.00 61.33 H new ATOM 0 HD11 LEU A 43 -4.627 22.077 -34.117 1.00 34.54 H new ATOM 0 HD12 LEU A 43 -5.036 21.807 -32.406 1.00 34.54 H new ATOM 0 HD13 LEU A 43 -4.796 20.419 -33.494 1.00 34.54 H new ATOM 0 HD21 LEU A 43 -6.336 21.646 -35.915 1.00 23.41 H new ATOM 0 HD22 LEU A 43 -6.552 19.971 -35.356 1.00 23.41 H new ATOM 0 HD23 LEU A 43 -7.956 21.057 -35.476 1.00 23.41 H new ATOM 605 N ALA A 44 -10.087 19.936 -30.921 1.00 3.50 N ATOM 606 CA ALA A 44 -10.773 19.029 -29.995 1.00 12.33 C ATOM 607 C ALA A 44 -12.036 18.478 -30.648 1.00 53.33 C ATOM 608 O ALA A 44 -12.311 17.317 -30.597 1.00 25.12 O ATOM 609 CB ALA A 44 -11.101 19.742 -28.660 1.00 4.34 C ATOM 0 H ALA A 44 -10.031 20.906 -30.611 1.00 3.50 H new ATOM 0 HA ALA A 44 -10.109 18.196 -29.766 1.00 12.33 H new ATOM 0 HB1 ALA A 44 -11.609 19.047 -27.992 1.00 4.34 H new ATOM 0 HB2 ALA A 44 -10.177 20.084 -28.194 1.00 4.34 H new ATOM 0 HB3 ALA A 44 -11.748 20.598 -28.854 1.00 4.34 H new ATOM 615 N MET A 45 -12.765 19.333 -31.337 1.00 14.35 N ATOM 616 CA MET A 45 -13.968 18.911 -32.058 1.00 71.44 C ATOM 617 C MET A 45 -13.606 17.964 -33.202 1.00 10.31 C ATOM 618 O MET A 45 -14.297 17.035 -33.478 1.00 12.43 O ATOM 619 CB MET A 45 -14.748 20.102 -32.632 1.00 32.10 C ATOM 620 CG MET A 45 -15.412 20.921 -31.568 1.00 60.15 C ATOM 621 SD MET A 45 -16.678 19.992 -30.671 1.00 0.33 S ATOM 622 CE MET A 45 -17.568 21.315 -29.897 1.00 35.12 C ATOM 0 H MET A 45 -12.552 20.327 -31.418 1.00 14.35 H new ATOM 0 HA MET A 45 -14.601 18.399 -31.333 1.00 71.44 H new ATOM 0 HB2 MET A 45 -14.069 20.736 -33.202 1.00 32.10 H new ATOM 0 HB3 MET A 45 -15.503 19.736 -33.328 1.00 32.10 H new ATOM 0 HG2 MET A 45 -14.659 21.276 -30.864 1.00 60.15 H new ATOM 0 HG3 MET A 45 -15.865 21.802 -32.022 1.00 60.15 H new ATOM 0 HE1 MET A 45 -18.386 20.905 -29.304 1.00 35.12 H new ATOM 0 HE2 MET A 45 -16.895 21.876 -29.249 1.00 35.12 H new ATOM 0 HE3 MET A 45 -17.972 21.978 -30.662 1.00 35.12 H new ATOM 632 N ARG A 46 -12.463 18.191 -33.816 1.00 22.45 N ATOM 633 CA ARG A 46 -11.990 17.359 -34.895 1.00 42.01 C ATOM 634 C ARG A 46 -11.581 15.942 -34.426 1.00 63.31 C ATOM 635 O ARG A 46 -12.052 14.924 -35.022 1.00 25.33 O ATOM 636 CB ARG A 46 -10.789 18.003 -35.569 1.00 63.45 C ATOM 637 CG ARG A 46 -11.080 18.372 -36.957 1.00 32.40 C ATOM 638 CD ARG A 46 -11.358 17.010 -37.742 1.00 34.31 C ATOM 639 NE ARG A 46 -12.629 17.038 -38.361 1.00 63.12 N ATOM 640 CZ ARG A 46 -13.207 15.954 -38.871 1.00 43.21 C ATOM 641 NH1 ARG A 46 -12.599 14.776 -38.935 1.00 22.20 N ATOM 642 NH2 ARG A 46 -14.467 15.998 -39.282 1.00 10.14 N ATOM 0 H ARG A 46 -11.837 18.960 -33.578 1.00 22.45 H new ATOM 0 HA ARG A 46 -12.823 17.262 -35.592 1.00 42.01 H new ATOM 0 HB2 ARG A 46 -10.491 18.891 -35.011 1.00 63.45 H new ATOM 0 HB3 ARG A 46 -9.945 17.314 -35.545 1.00 63.45 H new ATOM 0 HG2 ARG A 46 -11.945 19.033 -37.009 1.00 32.40 H new ATOM 0 HG3 ARG A 46 -10.241 18.910 -37.399 1.00 32.40 H new ATOM 0 HD2 ARG A 46 -10.585 16.855 -38.495 1.00 34.31 H new ATOM 0 HD3 ARG A 46 -11.303 16.169 -37.051 1.00 34.31 H new ATOM 0 HE ARG A 46 -13.124 17.928 -38.419 1.00 63.12 H new ATOM 0 HH11 ARG A 46 -11.647 14.674 -38.584 1.00 22.20 H new ATOM 0 HH12 ARG A 46 -13.084 13.973 -39.335 1.00 22.20 H new ATOM 0 HH21 ARG A 46 -14.998 16.866 -39.208 1.00 10.14 H new ATOM 0 HH22 ARG A 46 -14.906 15.164 -39.672 1.00 10.14 H new ATOM 656 N LEU A 47 -10.914 15.874 -33.258 1.00 4.43 N ATOM 657 CA LEU A 47 -10.572 14.630 -32.595 1.00 71.32 C ATOM 658 C LEU A 47 -11.866 13.856 -32.251 1.00 52.12 C ATOM 659 O LEU A 47 -11.939 12.671 -32.517 1.00 40.05 O ATOM 660 CB LEU A 47 -9.835 14.953 -31.281 1.00 51.14 C ATOM 661 CG LEU A 47 -9.328 13.729 -30.508 1.00 42.34 C ATOM 662 CD1 LEU A 47 -8.159 13.041 -31.256 1.00 44.21 C ATOM 663 CD2 LEU A 47 -8.914 14.106 -29.060 1.00 44.22 C ATOM 0 H LEU A 47 -10.599 16.702 -32.752 1.00 4.43 H new ATOM 0 HA LEU A 47 -9.942 14.029 -33.251 1.00 71.32 H new ATOM 0 HB2 LEU A 47 -8.987 15.599 -31.506 1.00 51.14 H new ATOM 0 HB3 LEU A 47 -10.505 15.520 -30.635 1.00 51.14 H new ATOM 0 HG LEU A 47 -10.151 13.018 -30.443 1.00 42.34 H new ATOM 0 HD11 LEU A 47 -7.820 12.177 -30.685 1.00 44.21 H new ATOM 0 HD12 LEU A 47 -8.498 12.716 -32.240 1.00 44.21 H new ATOM 0 HD13 LEU A 47 -7.335 13.746 -31.371 1.00 44.21 H new ATOM 0 HD21 LEU A 47 -8.560 13.216 -28.540 1.00 44.22 H new ATOM 0 HD22 LEU A 47 -8.118 14.850 -29.091 1.00 44.22 H new ATOM 0 HD23 LEU A 47 -9.774 14.517 -28.531 1.00 44.22 H new ATOM 675 N ILE A 48 -12.854 14.515 -31.636 1.00 0.33 N ATOM 676 CA ILE A 48 -14.103 13.835 -31.262 1.00 10.43 C ATOM 677 C ILE A 48 -14.770 13.255 -32.509 1.00 41.12 C ATOM 678 O ILE A 48 -15.255 12.129 -32.507 1.00 12.24 O ATOM 679 CB ILE A 48 -15.049 14.825 -30.526 1.00 31.13 C ATOM 680 CG1 ILE A 48 -14.435 15.203 -29.173 1.00 24.14 C ATOM 681 CG2 ILE A 48 -16.465 14.206 -30.338 1.00 34.05 C ATOM 682 CD1 ILE A 48 -14.997 16.459 -28.584 1.00 31.14 C ATOM 0 H ILE A 48 -12.817 15.504 -31.389 1.00 0.33 H new ATOM 0 HA ILE A 48 -13.880 13.014 -30.581 1.00 10.43 H new ATOM 0 HB ILE A 48 -15.163 15.725 -31.131 1.00 31.13 H new ATOM 0 HG12 ILE A 48 -14.591 14.383 -28.472 1.00 24.14 H new ATOM 0 HG13 ILE A 48 -13.358 15.319 -29.293 1.00 24.14 H new ATOM 0 HG21 ILE A 48 -17.108 14.918 -29.821 1.00 34.05 H new ATOM 0 HG22 ILE A 48 -16.893 13.973 -31.313 1.00 34.05 H new ATOM 0 HG23 ILE A 48 -16.387 13.293 -29.748 1.00 34.05 H new ATOM 0 HD11 ILE A 48 -14.514 16.661 -27.628 1.00 31.14 H new ATOM 0 HD12 ILE A 48 -14.818 17.292 -29.264 1.00 31.14 H new ATOM 0 HD13 ILE A 48 -16.070 16.341 -28.430 1.00 31.14 H new ATOM 694 N ALA A 49 -14.765 14.010 -33.605 1.00 24.52 N ATOM 695 CA ALA A 49 -15.346 13.531 -34.848 1.00 61.11 C ATOM 696 C ALA A 49 -14.581 12.324 -35.433 1.00 4.53 C ATOM 697 O ALA A 49 -15.188 11.398 -35.943 1.00 3.20 O ATOM 698 CB ALA A 49 -15.377 14.668 -35.866 1.00 63.51 C ATOM 0 H ALA A 49 -14.367 14.948 -33.654 1.00 24.52 H new ATOM 0 HA ALA A 49 -16.358 13.192 -34.628 1.00 61.11 H new ATOM 0 HB1 ALA A 49 -15.813 14.310 -36.799 1.00 63.51 H new ATOM 0 HB2 ALA A 49 -15.979 15.489 -35.476 1.00 63.51 H new ATOM 0 HB3 ALA A 49 -14.362 15.019 -36.051 1.00 63.51 H new ATOM 704 N ARG A 50 -13.264 12.334 -35.299 1.00 31.41 N ATOM 705 CA ARG A 50 -12.432 11.227 -35.805 1.00 41.04 C ATOM 706 C ARG A 50 -12.672 9.963 -34.976 1.00 51.45 C ATOM 707 O ARG A 50 -12.643 8.893 -35.479 1.00 74.32 O ATOM 708 CB ARG A 50 -10.928 11.606 -35.690 1.00 44.11 C ATOM 709 CG ARG A 50 -10.024 10.934 -36.732 1.00 25.43 C ATOM 710 CD ARG A 50 -10.145 11.570 -38.103 1.00 1.03 C ATOM 711 NE ARG A 50 -9.051 11.055 -38.932 1.00 62.53 N ATOM 712 CZ ARG A 50 -9.139 10.280 -40.010 1.00 1.42 C ATOM 713 NH1 ARG A 50 -10.288 9.889 -40.482 1.00 3.11 N ATOM 714 NH2 ARG A 50 -8.045 9.915 -40.611 1.00 54.44 N ATOM 0 H ARG A 50 -12.741 13.085 -34.849 1.00 31.41 H new ATOM 0 HA ARG A 50 -12.699 11.044 -36.846 1.00 41.04 H new ATOM 0 HB2 ARG A 50 -10.830 12.687 -35.785 1.00 44.11 H new ATOM 0 HB3 ARG A 50 -10.574 11.340 -34.694 1.00 44.11 H new ATOM 0 HG2 ARG A 50 -8.988 10.990 -36.399 1.00 25.43 H new ATOM 0 HG3 ARG A 50 -10.279 9.877 -36.802 1.00 25.43 H new ATOM 0 HD2 ARG A 50 -11.109 11.331 -38.551 1.00 1.03 H new ATOM 0 HD3 ARG A 50 -10.089 12.656 -38.027 1.00 1.03 H new ATOM 0 HE ARG A 50 -8.109 11.323 -38.648 1.00 62.53 H new ATOM 0 HH11 ARG A 50 -11.152 10.177 -40.023 1.00 3.11 H new ATOM 0 HH12 ARG A 50 -10.324 9.295 -41.310 1.00 3.11 H new ATOM 0 HH21 ARG A 50 -7.140 10.223 -40.254 1.00 54.44 H new ATOM 0 HH22 ARG A 50 -8.092 9.321 -41.439 1.00 54.44 H new ATOM 728 N ILE A 51 -12.905 10.140 -33.680 1.00 14.31 N ATOM 729 CA ILE A 51 -13.071 9.077 -32.779 1.00 12.02 C ATOM 730 C ILE A 51 -14.330 8.228 -33.189 1.00 13.30 C ATOM 731 O ILE A 51 -14.368 7.029 -33.032 1.00 24.34 O ATOM 732 CB ILE A 51 -13.201 9.528 -31.284 1.00 65.42 C ATOM 733 CG1 ILE A 51 -11.779 9.864 -30.719 1.00 74.22 C ATOM 734 CG2 ILE A 51 -13.906 8.468 -30.387 1.00 45.05 C ATOM 735 CD1 ILE A 51 -11.810 10.615 -29.373 1.00 14.13 C ATOM 0 H ILE A 51 -12.980 11.060 -33.247 1.00 14.31 H new ATOM 0 HA ILE A 51 -12.163 8.477 -32.840 1.00 12.02 H new ATOM 0 HB ILE A 51 -13.834 10.415 -31.263 1.00 65.42 H new ATOM 0 HG12 ILE A 51 -11.218 8.937 -30.595 1.00 74.22 H new ATOM 0 HG13 ILE A 51 -11.240 10.467 -31.450 1.00 74.22 H new ATOM 0 HG21 ILE A 51 -13.966 8.839 -29.364 1.00 45.05 H new ATOM 0 HG22 ILE A 51 -14.911 8.282 -30.765 1.00 45.05 H new ATOM 0 HG23 ILE A 51 -13.335 7.540 -30.404 1.00 45.05 H new ATOM 0 HD11 ILE A 51 -10.790 10.814 -29.044 1.00 14.13 H new ATOM 0 HD12 ILE A 51 -12.342 11.558 -29.495 1.00 14.13 H new ATOM 0 HD13 ILE A 51 -12.320 10.005 -28.627 1.00 14.13 H new ATOM 747 N ARG A 52 -15.288 8.887 -33.844 1.00 52.02 N ATOM 748 CA ARG A 52 -16.504 8.193 -34.295 1.00 45.44 C ATOM 749 C ARG A 52 -16.197 7.200 -35.413 1.00 55.42 C ATOM 750 O ARG A 52 -16.895 6.211 -35.552 1.00 62.42 O ATOM 751 CB ARG A 52 -17.546 9.168 -34.812 1.00 35.33 C ATOM 752 CG ARG A 52 -18.010 10.213 -33.815 1.00 42.41 C ATOM 753 CD ARG A 52 -18.713 11.327 -34.534 1.00 74.10 C ATOM 754 NE ARG A 52 -19.010 12.419 -33.612 1.00 51.11 N ATOM 755 CZ ARG A 52 -19.368 13.650 -33.957 1.00 32.33 C ATOM 756 NH1 ARG A 52 -19.493 14.028 -35.216 1.00 22.44 N ATOM 757 NH2 ARG A 52 -19.610 14.514 -33.015 1.00 10.34 N ATOM 0 H ARG A 52 -15.252 9.880 -34.072 1.00 52.02 H new ATOM 0 HA ARG A 52 -16.892 7.666 -33.424 1.00 45.44 H new ATOM 0 HB2 ARG A 52 -17.140 9.678 -35.685 1.00 35.33 H new ATOM 0 HB3 ARG A 52 -18.414 8.601 -35.149 1.00 35.33 H new ATOM 0 HG2 ARG A 52 -18.680 9.759 -33.085 1.00 42.41 H new ATOM 0 HG3 ARG A 52 -17.156 10.606 -33.263 1.00 42.41 H new ATOM 0 HD2 ARG A 52 -18.090 11.691 -35.351 1.00 74.10 H new ATOM 0 HD3 ARG A 52 -19.637 10.956 -34.978 1.00 74.10 H new ATOM 0 HE ARG A 52 -18.936 12.219 -32.615 1.00 51.11 H new ATOM 0 HH11 ARG A 52 -19.312 13.363 -35.968 1.00 22.44 H new ATOM 0 HH12 ARG A 52 -19.771 14.984 -35.436 1.00 22.44 H new ATOM 0 HH21 ARG A 52 -19.523 14.239 -32.037 1.00 10.34 H new ATOM 0 HH22 ARG A 52 -19.887 15.466 -33.255 1.00 10.34 H new ATOM 771 N GLU A 53 -15.194 7.500 -36.210 1.00 41.22 N ATOM 772 CA GLU A 53 -14.828 6.641 -37.352 1.00 44.02 C ATOM 773 C GLU A 53 -14.027 5.453 -36.814 1.00 33.54 C ATOM 774 O GLU A 53 -14.160 4.325 -37.284 1.00 61.41 O ATOM 775 CB GLU A 53 -13.988 7.460 -38.359 1.00 52.41 C ATOM 776 CG GLU A 53 -14.747 8.677 -38.921 1.00 15.42 C ATOM 777 CD GLU A 53 -13.902 9.554 -39.856 1.00 10.02 C ATOM 778 OE1 GLU A 53 -12.959 10.219 -39.368 1.00 14.10 O ATOM 779 OE2 GLU A 53 -14.236 9.656 -41.047 1.00 54.03 O ATOM 0 H GLU A 53 -14.609 8.328 -36.101 1.00 41.22 H new ATOM 0 HA GLU A 53 -15.717 6.276 -37.867 1.00 44.02 H new ATOM 0 HB2 GLU A 53 -13.075 7.801 -37.871 1.00 52.41 H new ATOM 0 HB3 GLU A 53 -13.686 6.814 -39.183 1.00 52.41 H new ATOM 0 HG2 GLU A 53 -15.626 8.327 -39.462 1.00 15.42 H new ATOM 0 HG3 GLU A 53 -15.105 9.286 -38.091 1.00 15.42 H new ATOM 786 N GLU A 54 -13.246 5.708 -35.782 1.00 20.41 N ATOM 787 CA GLU A 54 -12.355 4.700 -35.203 1.00 24.44 C ATOM 788 C GLU A 54 -13.035 3.743 -34.206 1.00 12.31 C ATOM 789 O GLU A 54 -12.794 2.560 -34.243 1.00 74.01 O ATOM 790 CB GLU A 54 -11.193 5.354 -34.444 1.00 21.11 C ATOM 791 CG GLU A 54 -10.171 6.030 -35.336 1.00 2.32 C ATOM 792 CD GLU A 54 -9.473 5.057 -36.252 1.00 3.43 C ATOM 793 OE1 GLU A 54 -8.877 4.103 -35.729 1.00 75.41 O ATOM 794 OE2 GLU A 54 -9.524 5.222 -37.495 1.00 53.23 O ATOM 0 H GLU A 54 -13.205 6.615 -35.317 1.00 20.41 H new ATOM 0 HA GLU A 54 -12.016 4.129 -36.068 1.00 24.44 H new ATOM 0 HB2 GLU A 54 -11.596 6.091 -33.749 1.00 21.11 H new ATOM 0 HB3 GLU A 54 -10.691 4.594 -33.846 1.00 21.11 H new ATOM 0 HG2 GLU A 54 -10.665 6.796 -35.933 1.00 2.32 H new ATOM 0 HG3 GLU A 54 -9.431 6.536 -34.717 1.00 2.32 H new ATOM 801 N LEU A 55 -13.790 4.294 -33.243 1.00 53.13 N ATOM 802 CA LEU A 55 -14.326 3.516 -32.115 1.00 53.12 C ATOM 803 C LEU A 55 -15.841 3.347 -32.183 1.00 53.31 C ATOM 804 O LEU A 55 -16.433 2.669 -31.360 1.00 5.34 O ATOM 805 CB LEU A 55 -13.964 4.185 -30.778 1.00 32.35 C ATOM 806 CG LEU A 55 -12.470 4.400 -30.498 1.00 12.44 C ATOM 807 CD1 LEU A 55 -12.298 5.082 -29.126 1.00 53.41 C ATOM 808 CD2 LEU A 55 -11.697 3.073 -30.496 1.00 35.11 C ATOM 0 H LEU A 55 -14.044 5.282 -33.223 1.00 53.13 H new ATOM 0 HA LEU A 55 -13.870 2.528 -32.182 1.00 53.12 H new ATOM 0 HB2 LEU A 55 -14.461 5.154 -30.737 1.00 32.35 H new ATOM 0 HB3 LEU A 55 -14.378 3.580 -29.971 1.00 32.35 H new ATOM 0 HG LEU A 55 -12.069 5.029 -31.292 1.00 12.44 H new ATOM 0 HD11 LEU A 55 -11.237 5.235 -28.926 1.00 53.41 H new ATOM 0 HD12 LEU A 55 -12.809 6.045 -29.132 1.00 53.41 H new ATOM 0 HD13 LEU A 55 -12.726 4.449 -28.349 1.00 53.41 H new ATOM 0 HD21 LEU A 55 -10.643 3.266 -30.294 1.00 35.11 H new ATOM 0 HD22 LEU A 55 -12.100 2.418 -29.723 1.00 35.11 H new ATOM 0 HD23 LEU A 55 -11.798 2.592 -31.469 1.00 35.11 H new ATOM 820 N GLY A 56 -16.428 3.997 -33.167 1.00 52.44 N ATOM 821 CA GLY A 56 -17.871 3.919 -33.395 1.00 71.25 C ATOM 822 C GLY A 56 -18.685 4.552 -32.303 1.00 43.42 C ATOM 823 O GLY A 56 -19.836 4.187 -32.094 1.00 1.24 O ATOM 0 H GLY A 56 -15.931 4.591 -33.830 1.00 52.44 H new ATOM 0 HA2 GLY A 56 -18.108 4.404 -34.342 1.00 71.25 H new ATOM 0 HA3 GLY A 56 -18.159 2.872 -33.492 1.00 71.25 H new ATOM 827 N VAL A 57 -18.115 5.514 -31.586 1.00 61.42 N ATOM 828 CA VAL A 57 -18.826 6.179 -30.494 1.00 73.14 C ATOM 829 C VAL A 57 -18.499 7.659 -30.511 1.00 3.44 C ATOM 830 O VAL A 57 -17.471 8.057 -31.045 1.00 33.41 O ATOM 831 CB VAL A 57 -18.446 5.610 -29.085 1.00 51.10 C ATOM 832 CG1 VAL A 57 -18.955 4.182 -28.919 1.00 30.52 C ATOM 833 CG2 VAL A 57 -16.921 5.638 -28.883 1.00 22.23 C ATOM 0 H VAL A 57 -17.165 5.852 -31.739 1.00 61.42 H new ATOM 0 HA VAL A 57 -19.889 6.000 -30.654 1.00 73.14 H new ATOM 0 HB VAL A 57 -18.919 6.242 -28.334 1.00 51.10 H new ATOM 0 HG11 VAL A 57 -18.678 3.810 -27.933 1.00 30.52 H new ATOM 0 HG12 VAL A 57 -20.040 4.168 -29.021 1.00 30.52 H new ATOM 0 HG13 VAL A 57 -18.511 3.546 -29.685 1.00 30.52 H new ATOM 0 HG21 VAL A 57 -16.677 5.239 -27.898 1.00 22.23 H new ATOM 0 HG22 VAL A 57 -16.441 5.030 -29.650 1.00 22.23 H new ATOM 0 HG23 VAL A 57 -16.563 6.665 -28.957 1.00 22.23 H new ATOM 843 N ASP A 58 -19.370 8.475 -29.948 1.00 14.54 N ATOM 844 CA ASP A 58 -19.130 9.909 -29.856 1.00 44.11 C ATOM 845 C ASP A 58 -18.459 10.227 -28.525 1.00 60.42 C ATOM 846 O ASP A 58 -19.052 10.030 -27.450 1.00 13.32 O ATOM 847 CB ASP A 58 -20.421 10.690 -29.960 1.00 52.01 C ATOM 848 CG ASP A 58 -20.185 12.175 -30.075 1.00 11.43 C ATOM 849 OD1 ASP A 58 -19.262 12.574 -30.830 1.00 4.13 O ATOM 850 OD2 ASP A 58 -20.932 12.967 -29.479 1.00 41.33 O ATOM 0 H ASP A 58 -20.256 8.170 -29.544 1.00 14.54 H new ATOM 0 HA ASP A 58 -18.484 10.199 -30.685 1.00 44.11 H new ATOM 0 HB2 ASP A 58 -20.982 10.345 -30.829 1.00 52.01 H new ATOM 0 HB3 ASP A 58 -21.036 10.489 -29.083 1.00 52.01 H new ATOM 855 N LEU A 59 -17.203 10.633 -28.576 1.00 13.11 N ATOM 856 CA LEU A 59 -16.458 10.910 -27.352 1.00 11.14 C ATOM 857 C LEU A 59 -17.081 12.126 -26.634 1.00 62.53 C ATOM 858 O LEU A 59 -17.119 13.226 -27.177 1.00 75.32 O ATOM 859 CB LEU A 59 -15.009 11.255 -27.656 1.00 24.43 C ATOM 860 CG LEU A 59 -14.202 11.468 -26.370 1.00 2.52 C ATOM 861 CD1 LEU A 59 -13.595 10.157 -25.914 1.00 2.42 C ATOM 862 CD2 LEU A 59 -13.156 12.553 -26.511 1.00 64.01 C ATOM 0 H LEU A 59 -16.679 10.778 -29.439 1.00 13.11 H new ATOM 0 HA LEU A 59 -16.500 10.016 -26.730 1.00 11.14 H new ATOM 0 HB2 LEU A 59 -14.558 10.454 -28.242 1.00 24.43 H new ATOM 0 HB3 LEU A 59 -14.969 12.157 -28.266 1.00 24.43 H new ATOM 0 HG LEU A 59 -14.891 11.818 -25.601 1.00 2.52 H new ATOM 0 HD11 LEU A 59 -13.024 10.319 -25.000 1.00 2.42 H new ATOM 0 HD12 LEU A 59 -14.389 9.435 -25.723 1.00 2.42 H new ATOM 0 HD13 LEU A 59 -12.935 9.772 -26.691 1.00 2.42 H new ATOM 0 HD21 LEU A 59 -12.615 12.661 -25.571 1.00 64.01 H new ATOM 0 HD22 LEU A 59 -12.457 12.284 -27.303 1.00 64.01 H new ATOM 0 HD23 LEU A 59 -13.642 13.496 -26.761 1.00 64.01 H new ATOM 874 N PRO A 60 -17.545 11.948 -25.393 1.00 0.41 N ATOM 875 CA PRO A 60 -18.075 13.110 -24.666 1.00 23.10 C ATOM 876 C PRO A 60 -16.981 14.135 -24.428 1.00 64.02 C ATOM 877 O PRO A 60 -15.986 13.847 -23.768 1.00 24.10 O ATOM 878 CB PRO A 60 -18.562 12.511 -23.322 1.00 10.53 C ATOM 879 CG PRO A 60 -18.669 11.044 -23.554 1.00 52.32 C ATOM 880 CD PRO A 60 -17.587 10.752 -24.556 1.00 64.34 C ATOM 0 HA PRO A 60 -18.865 13.627 -25.211 1.00 23.10 H new ATOM 0 HB2 PRO A 60 -17.860 12.731 -22.518 1.00 10.53 H new ATOM 0 HB3 PRO A 60 -19.524 12.933 -23.030 1.00 10.53 H new ATOM 0 HG2 PRO A 60 -18.520 10.483 -22.632 1.00 52.32 H new ATOM 0 HG3 PRO A 60 -19.652 10.772 -23.938 1.00 52.32 H new ATOM 0 HD2 PRO A 60 -16.629 10.573 -24.068 1.00 64.34 H new ATOM 0 HD3 PRO A 60 -17.816 9.863 -25.143 1.00 64.34 H new ATOM 888 N ILE A 61 -17.198 15.367 -24.872 1.00 32.24 N ATOM 889 CA ILE A 61 -16.211 16.435 -24.690 1.00 64.12 C ATOM 890 C ILE A 61 -15.933 16.702 -23.189 1.00 51.22 C ATOM 891 O ILE A 61 -14.884 17.193 -22.816 1.00 45.00 O ATOM 892 CB ILE A 61 -16.679 17.728 -25.440 1.00 64.04 C ATOM 893 CG1 ILE A 61 -15.505 18.700 -25.639 1.00 12.13 C ATOM 894 CG2 ILE A 61 -17.869 18.432 -24.727 1.00 71.32 C ATOM 895 CD1 ILE A 61 -15.794 19.800 -26.711 1.00 3.13 C ATOM 0 H ILE A 61 -18.046 15.655 -25.360 1.00 32.24 H new ATOM 0 HA ILE A 61 -15.265 16.114 -25.126 1.00 64.12 H new ATOM 0 HB ILE A 61 -17.040 17.413 -26.419 1.00 64.04 H new ATOM 0 HG12 ILE A 61 -15.273 19.180 -24.688 1.00 12.13 H new ATOM 0 HG13 ILE A 61 -14.621 18.136 -25.935 1.00 12.13 H new ATOM 0 HG21 ILE A 61 -18.154 19.322 -25.288 1.00 71.32 H new ATOM 0 HG22 ILE A 61 -18.717 17.749 -24.674 1.00 71.32 H new ATOM 0 HG23 ILE A 61 -17.571 18.719 -23.719 1.00 71.32 H new ATOM 0 HD11 ILE A 61 -14.927 20.454 -26.804 1.00 3.13 H new ATOM 0 HD12 ILE A 61 -15.997 19.327 -27.672 1.00 3.13 H new ATOM 0 HD13 ILE A 61 -16.660 20.387 -26.405 1.00 3.13 H new ATOM 907 N ARG A 62 -16.869 16.347 -22.332 1.00 54.22 N ATOM 908 CA ARG A 62 -16.671 16.509 -20.893 1.00 70.51 C ATOM 909 C ARG A 62 -15.552 15.611 -20.387 1.00 31.04 C ATOM 910 O ARG A 62 -14.853 15.994 -19.492 1.00 2.41 O ATOM 911 CB ARG A 62 -17.938 16.149 -20.125 1.00 41.51 C ATOM 912 CG ARG A 62 -18.411 17.249 -19.124 1.00 71.53 C ATOM 913 CD ARG A 62 -17.424 17.535 -17.989 1.00 13.31 C ATOM 914 NE ARG A 62 -17.379 16.426 -17.027 1.00 32.33 N ATOM 915 CZ ARG A 62 -16.614 16.388 -15.931 1.00 23.43 C ATOM 916 NH1 ARG A 62 -15.784 17.361 -15.621 1.00 50.15 N ATOM 917 NH2 ARG A 62 -16.679 15.352 -15.143 1.00 62.24 N ATOM 0 H ARG A 62 -17.769 15.947 -22.597 1.00 54.22 H new ATOM 0 HA ARG A 62 -16.413 17.555 -20.728 1.00 70.51 H new ATOM 0 HB2 ARG A 62 -18.739 15.953 -20.838 1.00 41.51 H new ATOM 0 HB3 ARG A 62 -17.767 15.223 -19.576 1.00 41.51 H new ATOM 0 HG2 ARG A 62 -18.590 18.172 -19.675 1.00 71.53 H new ATOM 0 HG3 ARG A 62 -19.365 16.945 -18.692 1.00 71.53 H new ATOM 0 HD2 ARG A 62 -16.429 17.701 -18.403 1.00 13.31 H new ATOM 0 HD3 ARG A 62 -17.713 18.452 -17.476 1.00 13.31 H new ATOM 0 HE ARG A 62 -17.979 15.621 -17.209 1.00 32.33 H new ATOM 0 HH11 ARG A 62 -15.709 18.179 -16.225 1.00 50.15 H new ATOM 0 HH12 ARG A 62 -15.216 17.297 -14.776 1.00 50.15 H new ATOM 0 HH21 ARG A 62 -17.309 14.581 -15.365 1.00 62.24 H new ATOM 0 HH22 ARG A 62 -16.100 15.312 -14.304 1.00 62.24 H new ATOM 931 N GLN A 63 -15.414 14.414 -20.943 1.00 12.44 N ATOM 932 CA GLN A 63 -14.357 13.519 -20.523 1.00 63.20 C ATOM 933 C GLN A 63 -13.018 14.062 -20.983 1.00 30.45 C ATOM 934 O GLN A 63 -12.020 14.043 -20.241 1.00 12.43 O ATOM 935 CB GLN A 63 -14.557 12.103 -21.074 1.00 54.12 C ATOM 936 CG GLN A 63 -15.783 11.368 -20.620 1.00 63.43 C ATOM 937 CD GLN A 63 -16.042 11.449 -19.151 1.00 1.15 C ATOM 938 OE1 GLN A 63 -15.206 11.180 -18.344 1.00 22.51 O ATOM 939 NE2 GLN A 63 -17.219 11.869 -18.826 1.00 74.03 N ATOM 0 H GLN A 63 -16.018 14.048 -21.679 1.00 12.44 H new ATOM 0 HA GLN A 63 -14.382 13.459 -19.435 1.00 63.20 H new ATOM 0 HB2 GLN A 63 -14.580 12.162 -22.162 1.00 54.12 H new ATOM 0 HB3 GLN A 63 -13.685 11.507 -20.805 1.00 54.12 H new ATOM 0 HG2 GLN A 63 -16.648 11.765 -21.152 1.00 63.43 H new ATOM 0 HG3 GLN A 63 -15.689 10.320 -20.903 1.00 63.43 H new ATOM 0 HE21 GLN A 63 -17.901 12.087 -19.552 1.00 74.03 H new ATOM 0 HE22 GLN A 63 -17.466 11.983 -17.843 1.00 74.03 H new ATOM 948 N LEU A 64 -13.005 14.610 -22.201 1.00 14.34 N ATOM 949 CA LEU A 64 -11.793 15.179 -22.765 1.00 12.44 C ATOM 950 C LEU A 64 -11.298 16.383 -21.944 1.00 12.53 C ATOM 951 O LEU A 64 -10.111 16.536 -21.699 1.00 31.31 O ATOM 952 CB LEU A 64 -12.058 15.597 -24.213 1.00 51.14 C ATOM 953 CG LEU A 64 -10.834 16.020 -25.026 1.00 23.14 C ATOM 954 CD1 LEU A 64 -9.880 14.869 -25.229 1.00 72.20 C ATOM 955 CD2 LEU A 64 -11.270 16.553 -26.385 1.00 64.13 C ATOM 0 H LEU A 64 -13.822 14.668 -22.809 1.00 14.34 H new ATOM 0 HA LEU A 64 -11.010 14.421 -22.737 1.00 12.44 H new ATOM 0 HB2 LEU A 64 -12.541 14.766 -24.727 1.00 51.14 H new ATOM 0 HB3 LEU A 64 -12.768 16.424 -24.207 1.00 51.14 H new ATOM 0 HG LEU A 64 -10.320 16.801 -24.466 1.00 23.14 H new ATOM 0 HD11 LEU A 64 -9.022 15.206 -25.811 1.00 72.20 H new ATOM 0 HD12 LEU A 64 -9.540 14.503 -24.260 1.00 72.20 H new ATOM 0 HD13 LEU A 64 -10.387 14.066 -25.763 1.00 72.20 H new ATOM 0 HD21 LEU A 64 -10.392 16.852 -26.957 1.00 64.13 H new ATOM 0 HD22 LEU A 64 -11.808 15.774 -26.926 1.00 64.13 H new ATOM 0 HD23 LEU A 64 -11.923 17.415 -26.246 1.00 64.13 H new ATOM 967 N PHE A 65 -12.213 17.236 -21.521 1.00 32.10 N ATOM 968 CA PHE A 65 -11.817 18.381 -20.697 1.00 23.04 C ATOM 969 C PHE A 65 -11.407 17.925 -19.294 1.00 41.33 C ATOM 970 O PHE A 65 -10.606 18.546 -18.648 1.00 4.42 O ATOM 971 CB PHE A 65 -12.954 19.370 -20.566 1.00 64.11 C ATOM 972 CG PHE A 65 -13.308 20.108 -21.856 1.00 71.24 C ATOM 973 CD1 PHE A 65 -12.405 20.210 -22.954 1.00 74.21 C ATOM 974 CD2 PHE A 65 -14.556 20.745 -21.950 1.00 64.14 C ATOM 975 CE1 PHE A 65 -12.751 20.938 -24.117 1.00 30.35 C ATOM 976 CE2 PHE A 65 -14.913 21.483 -23.132 1.00 71.20 C ATOM 977 CZ PHE A 65 -14.001 21.587 -24.201 1.00 73.24 C ATOM 0 H PHE A 65 -13.211 17.169 -21.723 1.00 32.10 H new ATOM 0 HA PHE A 65 -10.971 18.858 -21.191 1.00 23.04 H new ATOM 0 HB2 PHE A 65 -13.839 18.841 -20.211 1.00 64.11 H new ATOM 0 HB3 PHE A 65 -12.694 20.104 -19.803 1.00 64.11 H new ATOM 0 HD1 PHE A 65 -11.442 19.724 -22.897 1.00 74.21 H new ATOM 0 HD2 PHE A 65 -15.254 20.680 -21.128 1.00 64.14 H new ATOM 0 HE1 PHE A 65 -12.057 20.997 -24.942 1.00 30.35 H new ATOM 0 HE2 PHE A 65 -15.881 21.958 -23.200 1.00 71.20 H new ATOM 0 HZ PHE A 65 -14.257 22.160 -25.080 1.00 73.24 H new ATOM 987 N SER A 66 -11.997 16.843 -18.827 1.00 42.32 N ATOM 988 CA SER A 66 -11.724 16.339 -17.482 1.00 74.05 C ATOM 989 C SER A 66 -10.362 15.661 -17.425 1.00 55.52 C ATOM 990 O SER A 66 -9.762 15.581 -16.359 1.00 35.50 O ATOM 991 CB SER A 66 -12.814 15.365 -17.042 1.00 3.04 C ATOM 992 OG SER A 66 -12.684 15.052 -15.676 1.00 35.15 O ATOM 0 H SER A 66 -12.672 16.290 -19.355 1.00 42.32 H new ATOM 0 HA SER A 66 -11.717 17.188 -16.799 1.00 74.05 H new ATOM 0 HB2 SER A 66 -13.795 15.802 -17.228 1.00 3.04 H new ATOM 0 HB3 SER A 66 -12.754 14.453 -17.636 1.00 3.04 H new ATOM 0 HG SER A 66 -13.393 14.428 -15.414 1.00 35.15 H new ATOM 998 N SER A 67 -9.898 15.168 -18.547 1.00 73.34 N ATOM 999 CA SER A 67 -8.617 14.470 -18.637 1.00 70.33 C ATOM 1000 C SER A 67 -8.103 14.665 -20.058 1.00 70.51 C ATOM 1001 O SER A 67 -8.430 13.883 -20.937 1.00 1.45 O ATOM 1002 CB SER A 67 -8.811 12.993 -18.332 1.00 32.12 C ATOM 1003 OG SER A 67 -9.246 12.824 -16.998 1.00 32.23 O ATOM 0 H SER A 67 -10.394 15.235 -19.436 1.00 73.34 H new ATOM 0 HA SER A 67 -7.900 14.863 -17.916 1.00 70.33 H new ATOM 0 HB2 SER A 67 -9.542 12.565 -19.018 1.00 32.12 H new ATOM 0 HB3 SER A 67 -7.876 12.456 -18.488 1.00 32.12 H new ATOM 0 HG SER A 67 -9.369 11.870 -16.813 1.00 32.23 H new ATOM 1009 N PRO A 68 -7.297 15.699 -20.298 1.00 14.32 N ATOM 1010 CA PRO A 68 -6.812 15.947 -21.664 1.00 63.35 C ATOM 1011 C PRO A 68 -5.686 15.037 -22.145 1.00 71.04 C ATOM 1012 O PRO A 68 -5.196 15.215 -23.244 1.00 0.35 O ATOM 1013 CB PRO A 68 -6.317 17.383 -21.571 1.00 43.35 C ATOM 1014 CG PRO A 68 -5.795 17.479 -20.190 1.00 64.14 C ATOM 1015 CD PRO A 68 -6.827 16.748 -19.372 1.00 54.32 C ATOM 0 HA PRO A 68 -7.602 15.755 -22.390 1.00 63.35 H new ATOM 0 HB2 PRO A 68 -5.541 17.589 -22.309 1.00 43.35 H new ATOM 0 HB3 PRO A 68 -7.121 18.097 -21.747 1.00 43.35 H new ATOM 0 HG2 PRO A 68 -4.811 17.018 -20.100 1.00 64.14 H new ATOM 0 HG3 PRO A 68 -5.691 18.516 -19.871 1.00 64.14 H new ATOM 0 HD2 PRO A 68 -6.397 16.323 -18.465 1.00 54.32 H new ATOM 0 HD3 PRO A 68 -7.638 17.407 -19.062 1.00 54.32 H new ATOM 1023 N THR A 69 -5.301 14.063 -21.337 1.00 32.23 N ATOM 1024 CA THR A 69 -4.245 13.127 -21.747 1.00 22.12 C ATOM 1025 C THR A 69 -4.902 11.905 -22.369 1.00 61.13 C ATOM 1026 O THR A 69 -6.024 11.544 -21.977 1.00 10.53 O ATOM 1027 CB THR A 69 -3.389 12.661 -20.544 1.00 4.21 C ATOM 1028 OG1 THR A 69 -4.262 12.188 -19.523 1.00 60.33 O ATOM 1029 CG2 THR A 69 -2.559 13.792 -19.978 1.00 23.03 C ATOM 0 H THR A 69 -5.689 13.894 -20.409 1.00 32.23 H new ATOM 0 HA THR A 69 -3.592 13.638 -22.454 1.00 22.12 H new ATOM 0 HB THR A 69 -2.714 11.877 -20.888 1.00 4.21 H new ATOM 0 HG1 THR A 69 -3.734 11.887 -18.754 1.00 60.33 H new ATOM 0 HG21 THR A 69 -1.972 13.426 -19.136 1.00 23.03 H new ATOM 0 HG22 THR A 69 -1.889 14.173 -20.749 1.00 23.03 H new ATOM 0 HG23 THR A 69 -3.217 14.593 -19.641 1.00 23.03 H new ATOM 1037 N PRO A 70 -4.231 11.234 -23.323 1.00 10.01 N ATOM 1038 CA PRO A 70 -4.930 10.132 -23.964 1.00 70.34 C ATOM 1039 C PRO A 70 -5.231 8.959 -23.015 1.00 3.22 C ATOM 1040 O PRO A 70 -6.317 8.352 -23.119 1.00 61.31 O ATOM 1041 CB PRO A 70 -3.982 9.763 -25.087 1.00 43.31 C ATOM 1042 CG PRO A 70 -2.702 10.119 -24.667 1.00 52.44 C ATOM 1043 CD PRO A 70 -2.907 11.425 -23.922 1.00 73.01 C ATOM 0 HA PRO A 70 -5.927 10.403 -24.311 1.00 70.34 H new ATOM 0 HB2 PRO A 70 -4.035 8.696 -25.303 1.00 43.31 H new ATOM 0 HB3 PRO A 70 -4.247 10.287 -26.005 1.00 43.31 H new ATOM 0 HG2 PRO A 70 -2.268 9.356 -24.021 1.00 52.44 H new ATOM 0 HG3 PRO A 70 -2.025 10.244 -25.512 1.00 52.44 H new ATOM 0 HD2 PRO A 70 -2.138 11.588 -23.167 1.00 73.01 H new ATOM 0 HD3 PRO A 70 -2.883 12.284 -24.592 1.00 73.01 H new ATOM 1051 N ALA A 71 -4.349 8.683 -22.074 1.00 15.55 N ATOM 1052 CA ALA A 71 -4.593 7.605 -21.109 1.00 71.21 C ATOM 1053 C ALA A 71 -5.637 8.022 -20.079 1.00 25.11 C ATOM 1054 O ALA A 71 -6.329 7.202 -19.489 1.00 34.54 O ATOM 1055 CB ALA A 71 -3.316 7.221 -20.377 1.00 62.14 C ATOM 0 H ALA A 71 -3.465 9.177 -21.950 1.00 15.55 H new ATOM 0 HA ALA A 71 -4.957 6.748 -21.675 1.00 71.21 H new ATOM 0 HB1 ALA A 71 -3.529 6.420 -19.669 1.00 62.14 H new ATOM 0 HB2 ALA A 71 -2.572 6.880 -21.097 1.00 62.14 H new ATOM 0 HB3 ALA A 71 -2.930 8.087 -19.839 1.00 62.14 H new ATOM 1061 N GLY A 72 -5.740 9.322 -19.856 1.00 0.43 N ATOM 1062 CA GLY A 72 -6.698 9.849 -18.922 1.00 4.31 C ATOM 1063 C GLY A 72 -8.114 9.822 -19.471 1.00 73.52 C ATOM 1064 O GLY A 72 -9.014 9.298 -18.783 1.00 3.00 O ATOM 0 H GLY A 72 -5.165 10.028 -20.316 1.00 0.43 H new ATOM 0 HA2 GLY A 72 -6.658 9.271 -17.999 1.00 4.31 H new ATOM 0 HA3 GLY A 72 -6.429 10.874 -18.668 1.00 4.31 H new ATOM 1068 N VAL A 73 -8.315 10.291 -20.695 1.00 50.14 N ATOM 1069 CA VAL A 73 -9.629 10.322 -21.252 1.00 4.14 C ATOM 1070 C VAL A 73 -10.154 8.886 -21.464 1.00 52.24 C ATOM 1071 O VAL A 73 -11.353 8.640 -21.281 1.00 73.42 O ATOM 1072 CB VAL A 73 -9.643 11.130 -22.598 1.00 63.02 C ATOM 1073 CG1 VAL A 73 -8.981 10.386 -23.731 1.00 32.02 C ATOM 1074 CG2 VAL A 73 -11.086 11.527 -22.961 1.00 25.40 C ATOM 0 H VAL A 73 -7.580 10.649 -21.305 1.00 50.14 H new ATOM 0 HA VAL A 73 -10.292 10.829 -20.551 1.00 4.14 H new ATOM 0 HB VAL A 73 -9.054 12.034 -22.442 1.00 63.02 H new ATOM 0 HG11 VAL A 73 -9.020 10.992 -24.636 1.00 32.02 H new ATOM 0 HG12 VAL A 73 -7.941 10.183 -23.475 1.00 32.02 H new ATOM 0 HG13 VAL A 73 -9.503 9.444 -23.902 1.00 32.02 H new ATOM 0 HG21 VAL A 73 -11.085 12.087 -23.896 1.00 25.40 H new ATOM 0 HG22 VAL A 73 -11.692 10.629 -23.077 1.00 25.40 H new ATOM 0 HG23 VAL A 73 -11.503 12.147 -22.167 1.00 25.40 H new ATOM 1084 N ALA A 74 -9.258 7.940 -21.774 1.00 24.01 N ATOM 1085 CA ALA A 74 -9.647 6.558 -21.924 1.00 53.21 C ATOM 1086 C ALA A 74 -10.204 5.933 -20.650 1.00 2.24 C ATOM 1087 O ALA A 74 -11.223 5.291 -20.651 1.00 43.40 O ATOM 1088 CB ALA A 74 -8.431 5.772 -22.417 1.00 2.13 C ATOM 0 H ALA A 74 -8.265 8.119 -21.923 1.00 24.01 H new ATOM 0 HA ALA A 74 -10.464 6.519 -22.645 1.00 53.21 H new ATOM 0 HB1 ALA A 74 -8.701 4.723 -22.538 1.00 2.13 H new ATOM 0 HB2 ALA A 74 -8.101 6.175 -23.375 1.00 2.13 H new ATOM 0 HB3 ALA A 74 -7.623 5.857 -21.690 1.00 2.13 H new ATOM 1094 N ARG A 75 -9.492 6.118 -19.534 1.00 22.44 N ATOM 1095 CA ARG A 75 -9.925 5.503 -18.299 1.00 53.43 C ATOM 1096 C ARG A 75 -11.157 6.231 -17.763 1.00 62.44 C ATOM 1097 O ARG A 75 -12.031 5.633 -17.149 1.00 11.12 O ATOM 1098 CB ARG A 75 -8.817 5.466 -17.247 1.00 23.42 C ATOM 1099 CG ARG A 75 -8.346 6.791 -16.735 1.00 32.25 C ATOM 1100 CD ARG A 75 -7.162 6.679 -15.827 1.00 51.34 C ATOM 1101 NE ARG A 75 -5.930 6.179 -16.556 1.00 62.00 N ATOM 1102 CZ ARG A 75 -4.774 5.864 -15.985 1.00 43.51 C ATOM 1103 NH1 ARG A 75 -4.639 5.940 -14.686 1.00 25.42 N ATOM 1104 NH2 ARG A 75 -3.798 5.429 -16.719 1.00 21.01 N ATOM 0 H ARG A 75 -8.639 6.674 -19.470 1.00 22.44 H new ATOM 0 HA ARG A 75 -10.183 4.467 -18.518 1.00 53.43 H new ATOM 0 HB2 ARG A 75 -9.169 4.877 -16.400 1.00 23.42 H new ATOM 0 HB3 ARG A 75 -7.962 4.938 -17.669 1.00 23.42 H new ATOM 0 HG2 ARG A 75 -8.090 7.431 -17.580 1.00 32.25 H new ATOM 0 HG3 ARG A 75 -9.162 7.279 -16.201 1.00 32.25 H new ATOM 0 HD2 ARG A 75 -6.951 7.653 -15.385 1.00 51.34 H new ATOM 0 HD3 ARG A 75 -7.398 6.001 -15.007 1.00 51.34 H new ATOM 0 HE ARG A 75 -5.995 6.076 -17.569 1.00 62.00 H new ATOM 0 HH11 ARG A 75 -5.424 6.242 -14.109 1.00 25.42 H new ATOM 0 HH12 ARG A 75 -3.749 5.697 -14.251 1.00 25.42 H new ATOM 0 HH21 ARG A 75 -3.922 5.331 -17.727 1.00 21.01 H new ATOM 0 HH22 ARG A 75 -2.906 5.185 -16.289 1.00 21.01 H new ATOM 1118 N ALA A 76 -11.248 7.541 -18.029 1.00 71.33 N ATOM 1119 CA ALA A 76 -12.376 8.340 -17.583 1.00 14.51 C ATOM 1120 C ALA A 76 -13.693 7.887 -18.194 1.00 30.02 C ATOM 1121 O ALA A 76 -14.696 7.737 -17.505 1.00 64.23 O ATOM 1122 CB ALA A 76 -12.124 9.826 -17.894 1.00 13.54 C ATOM 0 H ALA A 76 -10.546 8.063 -18.554 1.00 71.33 H new ATOM 0 HA ALA A 76 -12.464 8.201 -16.506 1.00 14.51 H new ATOM 0 HB1 ALA A 76 -12.975 10.418 -17.556 1.00 13.54 H new ATOM 0 HB2 ALA A 76 -11.223 10.158 -17.378 1.00 13.54 H new ATOM 0 HB3 ALA A 76 -11.995 9.956 -18.969 1.00 13.54 H new ATOM 1128 N LEU A 77 -13.680 7.655 -19.503 1.00 62.32 N ATOM 1129 CA LEU A 77 -14.894 7.201 -20.195 1.00 23.44 C ATOM 1130 C LEU A 77 -15.155 5.724 -19.883 1.00 71.31 C ATOM 1131 O LEU A 77 -16.310 5.313 -19.799 1.00 53.51 O ATOM 1132 CB LEU A 77 -14.776 7.452 -21.705 1.00 44.14 C ATOM 1133 CG LEU A 77 -13.780 6.631 -22.546 1.00 72.24 C ATOM 1134 CD1 LEU A 77 -14.373 5.320 -23.066 1.00 34.00 C ATOM 1135 CD2 LEU A 77 -13.293 7.429 -23.726 1.00 24.34 C ATOM 0 H LEU A 77 -12.862 7.769 -20.101 1.00 62.32 H new ATOM 0 HA LEU A 77 -15.748 7.774 -19.835 1.00 23.44 H new ATOM 0 HB2 LEU A 77 -15.766 7.303 -22.137 1.00 44.14 H new ATOM 0 HB3 LEU A 77 -14.525 8.504 -21.840 1.00 44.14 H new ATOM 0 HG LEU A 77 -12.955 6.392 -21.875 1.00 72.24 H new ATOM 0 HD11 LEU A 77 -13.623 4.788 -23.651 1.00 34.00 H new ATOM 0 HD12 LEU A 77 -14.683 4.701 -22.224 1.00 34.00 H new ATOM 0 HD13 LEU A 77 -15.237 5.536 -23.695 1.00 34.00 H new ATOM 0 HD21 LEU A 77 -12.591 6.830 -24.306 1.00 24.34 H new ATOM 0 HD22 LEU A 77 -14.140 7.704 -24.354 1.00 24.34 H new ATOM 0 HD23 LEU A 77 -12.795 8.332 -23.374 1.00 24.34 H new ATOM 1147 N ALA A 78 -14.113 4.954 -19.663 1.00 23.23 N ATOM 1148 CA ALA A 78 -14.267 3.543 -19.352 1.00 3.34 C ATOM 1149 C ALA A 78 -14.930 3.336 -18.001 1.00 20.33 C ATOM 1150 O ALA A 78 -15.600 2.334 -17.785 1.00 13.25 O ATOM 1151 CB ALA A 78 -12.922 2.845 -19.380 1.00 3.12 C ATOM 0 H ALA A 78 -13.146 5.278 -19.693 1.00 23.23 H new ATOM 0 HA ALA A 78 -14.914 3.109 -20.114 1.00 3.34 H new ATOM 0 HB1 ALA A 78 -13.055 1.789 -19.145 1.00 3.12 H new ATOM 0 HB2 ALA A 78 -12.482 2.943 -20.372 1.00 3.12 H new ATOM 0 HB3 ALA A 78 -12.260 3.300 -18.643 1.00 3.12 H new ATOM 1157 N ALA A 79 -14.760 4.295 -17.099 1.00 73.45 N ATOM 1158 CA ALA A 79 -15.326 4.199 -15.763 1.00 11.13 C ATOM 1159 C ALA A 79 -16.870 4.148 -15.794 1.00 75.04 C ATOM 1160 O ALA A 79 -17.505 3.618 -14.881 1.00 24.23 O ATOM 1161 CB ALA A 79 -14.844 5.387 -14.913 1.00 54.34 C ATOM 0 H ALA A 79 -14.232 5.151 -17.271 1.00 73.45 H new ATOM 0 HA ALA A 79 -14.982 3.266 -15.316 1.00 11.13 H new ATOM 0 HB1 ALA A 79 -15.269 5.314 -13.912 1.00 54.34 H new ATOM 0 HB2 ALA A 79 -13.756 5.370 -14.848 1.00 54.34 H new ATOM 0 HB3 ALA A 79 -15.165 6.320 -15.376 1.00 54.34 H new ATOM 1167 N LYS A 80 -17.468 4.674 -16.847 1.00 72.54 N ATOM 1168 CA LYS A 80 -18.920 4.725 -16.961 1.00 2.10 C ATOM 1169 C LYS A 80 -19.540 3.330 -17.195 1.00 32.21 C ATOM 1170 O LYS A 80 -20.760 3.168 -17.150 1.00 2.04 O ATOM 1171 CB LYS A 80 -19.345 5.711 -18.050 1.00 42.14 C ATOM 1172 CG LYS A 80 -19.603 5.085 -19.427 1.00 23.20 C ATOM 1173 CD LYS A 80 -19.836 6.162 -20.495 1.00 52.15 C ATOM 1174 CE LYS A 80 -20.413 5.595 -21.782 1.00 54.42 C ATOM 1175 NZ LYS A 80 -21.878 5.230 -21.628 1.00 72.11 N ATOM 0 H LYS A 80 -16.970 5.075 -17.642 1.00 72.54 H new ATOM 0 HA LYS A 80 -19.305 5.082 -16.006 1.00 2.10 H new ATOM 0 HB2 LYS A 80 -20.252 6.221 -17.724 1.00 42.14 H new ATOM 0 HB3 LYS A 80 -18.571 6.472 -18.153 1.00 42.14 H new ATOM 0 HG2 LYS A 80 -18.753 4.465 -19.712 1.00 23.20 H new ATOM 0 HG3 LYS A 80 -20.472 4.429 -19.373 1.00 23.20 H new ATOM 0 HD2 LYS A 80 -20.514 6.919 -20.100 1.00 52.15 H new ATOM 0 HD3 LYS A 80 -18.892 6.662 -20.714 1.00 52.15 H new ATOM 0 HE2 LYS A 80 -20.302 6.326 -22.583 1.00 54.42 H new ATOM 0 HE3 LYS A 80 -19.847 4.711 -22.076 1.00 54.42 H new ATOM 0 HZ1 LYS A 80 -22.192 4.694 -22.462 1.00 72.11 H new ATOM 0 HZ2 LYS A 80 -22.003 4.647 -20.776 1.00 72.11 H new ATOM 0 HZ3 LYS A 80 -22.445 6.098 -21.540 1.00 72.11 H new ATOM 1189 N SER A 81 -18.700 2.343 -17.461 1.00 22.43 N ATOM 1190 CA SER A 81 -19.173 0.969 -17.676 1.00 14.21 C ATOM 1191 C SER A 81 -19.432 0.250 -16.355 1.00 41.54 C ATOM 1192 O SER A 81 -19.940 -0.867 -16.350 1.00 21.41 O ATOM 1193 CB SER A 81 -18.121 0.198 -18.480 1.00 72.54 C ATOM 1194 OG SER A 81 -17.778 0.907 -19.655 1.00 12.34 O ATOM 0 H SER A 81 -17.689 2.458 -17.535 1.00 22.43 H new ATOM 0 HA SER A 81 -20.115 1.013 -18.223 1.00 14.21 H new ATOM 0 HB2 SER A 81 -17.231 0.041 -17.870 1.00 72.54 H new ATOM 0 HB3 SER A 81 -18.505 -0.788 -18.742 1.00 72.54 H new ATOM 0 HG SER A 81 -17.047 1.530 -19.459 1.00 12.34 H new ATOM 1200 N ALA A 82 -19.033 0.853 -15.247 1.00 62.01 N ATOM 1201 CA ALA A 82 -19.241 0.263 -13.942 1.00 4.12 C ATOM 1202 C ALA A 82 -20.729 0.196 -13.601 1.00 24.43 C ATOM 1203 O ALA A 82 -21.489 1.088 -13.957 1.00 41.13 O ATOM 1204 CB ALA A 82 -18.498 1.082 -12.916 1.00 41.31 C ATOM 0 H ALA A 82 -18.560 1.757 -15.230 1.00 62.01 H new ATOM 0 HA ALA A 82 -18.861 -0.759 -13.944 1.00 4.12 H new ATOM 0 HB1 ALA A 82 -18.646 0.648 -11.927 1.00 41.31 H new ATOM 0 HB2 ALA A 82 -17.434 1.086 -13.155 1.00 41.31 H new ATOM 0 HB3 ALA A 82 -18.876 2.104 -12.924 1.00 41.31 H new ATOM 1210 N SER A 83 -21.127 -0.836 -12.860 1.00 72.11 N ATOM 1211 CA SER A 83 -22.534 -1.012 -12.449 1.00 22.54 C ATOM 1212 C SER A 83 -22.965 0.006 -11.414 1.00 42.14 C ATOM 1213 O SER A 83 -24.147 0.199 -11.160 1.00 74.01 O ATOM 1214 CB SER A 83 -22.732 -2.430 -11.894 1.00 2.45 C ATOM 1215 OG SER A 83 -21.856 -2.701 -10.810 1.00 43.23 O ATOM 0 H SER A 83 -20.500 -1.569 -12.527 1.00 72.11 H new ATOM 0 HA SER A 83 -23.155 -0.860 -13.332 1.00 22.54 H new ATOM 0 HB2 SER A 83 -23.764 -2.550 -11.565 1.00 2.45 H new ATOM 0 HB3 SER A 83 -22.563 -3.158 -12.688 1.00 2.45 H new ATOM 0 HG SER A 83 -22.012 -3.611 -10.483 1.00 43.23 H new ATOM 1221 N TRP A 84 -21.996 0.714 -10.840 1.00 34.40 N ATOM 1222 CA TRP A 84 -22.267 1.777 -9.868 1.00 12.42 C ATOM 1223 C TRP A 84 -21.948 3.138 -10.437 1.00 31.10 C ATOM 1224 O TRP A 84 -21.797 4.111 -9.698 1.00 24.10 O ATOM 1225 CB TRP A 84 -21.459 1.518 -8.593 1.00 13.41 C ATOM 1226 CG TRP A 84 -19.961 1.529 -8.846 1.00 14.32 C ATOM 1227 CD1 TRP A 84 -19.122 2.592 -8.756 1.00 14.05 C ATOM 1228 CD2 TRP A 84 -19.111 0.400 -9.214 1.00 62.31 C ATOM 1229 NE1 TRP A 84 -17.824 2.241 -9.024 1.00 61.41 N ATOM 1230 CE2 TRP A 84 -17.781 0.911 -9.317 1.00 21.31 C ATOM 1231 CE3 TRP A 84 -19.336 -0.971 -9.445 1.00 61.14 C ATOM 1232 CZ2 TRP A 84 -16.685 0.077 -9.649 1.00 3.34 C ATOM 1233 CZ3 TRP A 84 -18.233 -1.803 -9.791 1.00 34.23 C ATOM 1234 CH2 TRP A 84 -16.926 -1.263 -9.899 1.00 24.20 C ATOM 0 H TRP A 84 -21.005 0.571 -11.032 1.00 34.40 H new ATOM 0 HA TRP A 84 -23.330 1.768 -9.629 1.00 12.42 H new ATOM 0 HB2 TRP A 84 -21.705 2.276 -7.850 1.00 13.41 H new ATOM 0 HB3 TRP A 84 -21.747 0.554 -8.173 1.00 13.41 H new ATOM 0 HD1 TRP A 84 -19.439 3.593 -8.504 1.00 14.05 H new ATOM 0 HE1 TRP A 84 -17.023 2.872 -9.007 1.00 61.41 H new ATOM 0 HE3 TRP A 84 -20.330 -1.385 -9.361 1.00 61.14 H new ATOM 0 HZ2 TRP A 84 -15.684 0.478 -9.706 1.00 3.34 H new ATOM 0 HZ3 TRP A 84 -18.393 -2.855 -9.973 1.00 34.23 H new ATOM 0 HH2 TRP A 84 -16.106 -1.907 -10.181 1.00 24.20 H new ATOM 1245 N SER A 85 -21.838 3.225 -11.747 1.00 74.21 N ATOM 1246 CA SER A 85 -21.578 4.485 -12.421 1.00 74.01 C ATOM 1247 C SER A 85 -22.802 5.406 -12.291 1.00 44.11 C ATOM 1248 O SER A 85 -23.928 4.953 -12.297 1.00 54.44 O ATOM 1249 CB SER A 85 -21.309 4.246 -13.894 1.00 22.12 C ATOM 1250 OG SER A 85 -21.037 5.480 -14.549 1.00 74.24 O ATOM 0 H SER A 85 -21.926 2.426 -12.376 1.00 74.21 H new ATOM 0 HA SER A 85 -20.707 4.950 -11.959 1.00 74.01 H new ATOM 0 HB2 SER A 85 -20.463 3.569 -14.012 1.00 22.12 H new ATOM 0 HB3 SER A 85 -22.170 3.763 -14.355 1.00 22.12 H new ATOM 0 HG SER A 85 -21.878 5.955 -14.714 1.00 74.24 H new ATOM 1256 N HIS A 86 -22.549 6.703 -12.254 1.00 34.20 N ATOM 1257 CA HIS A 86 -23.637 7.672 -12.275 1.00 41.42 C ATOM 1258 C HIS A 86 -24.348 7.523 -13.615 1.00 34.24 C ATOM 1259 O HIS A 86 -23.734 7.096 -14.587 1.00 40.35 O ATOM 1260 CB HIS A 86 -23.097 9.097 -12.086 1.00 32.43 C ATOM 1261 CG HIS A 86 -22.291 9.593 -13.241 1.00 50.21 C ATOM 1262 ND1 HIS A 86 -22.812 10.148 -14.392 1.00 30.42 N ATOM 1263 CD2 HIS A 86 -20.935 9.597 -13.428 1.00 44.01 C ATOM 1264 CE1 HIS A 86 -21.796 10.461 -15.189 1.00 53.30 C ATOM 1265 NE2 HIS A 86 -20.627 10.144 -14.653 1.00 54.03 N ATOM 0 H HIS A 86 -21.614 7.108 -12.210 1.00 34.20 H new ATOM 0 HA HIS A 86 -24.334 7.490 -11.457 1.00 41.42 H new ATOM 0 HB2 HIS A 86 -23.935 9.774 -11.922 1.00 32.43 H new ATOM 0 HB3 HIS A 86 -22.482 9.126 -11.186 1.00 32.43 H new ATOM 0 HD1 HIS A 86 -23.801 10.292 -14.595 1.00 30.42 H new ATOM 0 HD2 HIS A 86 -20.212 9.225 -12.717 1.00 44.01 H new ATOM 0 HE1 HIS A 86 -21.910 10.920 -16.160 1.00 53.30 H new ATOM 1273 N PRO A 87 -25.645 7.895 -13.698 1.00 10.51 N ATOM 1274 CA PRO A 87 -26.311 7.764 -14.999 1.00 54.24 C ATOM 1275 C PRO A 87 -25.761 8.773 -15.999 1.00 54.32 C ATOM 1276 O PRO A 87 -25.361 9.883 -15.623 1.00 61.15 O ATOM 1277 CB PRO A 87 -27.775 8.035 -14.659 1.00 22.11 C ATOM 1278 CG PRO A 87 -27.715 8.944 -13.465 1.00 45.31 C ATOM 1279 CD PRO A 87 -26.566 8.432 -12.675 1.00 73.11 C ATOM 0 HA PRO A 87 -26.161 6.793 -15.472 1.00 54.24 H new ATOM 0 HB2 PRO A 87 -28.296 8.506 -15.492 1.00 22.11 H new ATOM 0 HB3 PRO A 87 -28.308 7.112 -14.430 1.00 22.11 H new ATOM 0 HG2 PRO A 87 -27.563 9.982 -13.762 1.00 45.31 H new ATOM 0 HG3 PRO A 87 -28.641 8.909 -12.891 1.00 45.31 H new ATOM 0 HD2 PRO A 87 -26.097 9.224 -12.091 1.00 73.11 H new ATOM 0 HD3 PRO A 87 -26.877 7.659 -11.972 1.00 73.11 H new ATOM 1287 N GLN A 88 -25.769 8.398 -17.270 1.00 11.42 N ATOM 1288 CA GLN A 88 -25.359 9.323 -18.320 1.00 74.02 C ATOM 1289 C GLN A 88 -26.501 10.310 -18.522 1.00 4.54 C ATOM 1290 O GLN A 88 -27.638 9.916 -18.820 1.00 12.20 O ATOM 1291 CB GLN A 88 -25.032 8.565 -19.618 1.00 11.14 C ATOM 1292 CG GLN A 88 -24.516 9.463 -20.732 1.00 43.25 C ATOM 1293 CD GLN A 88 -23.814 8.701 -21.832 1.00 73.42 C ATOM 1294 OE1 GLN A 88 -22.863 7.961 -21.580 1.00 13.11 O ATOM 1295 NE2 GLN A 88 -24.249 8.867 -23.051 1.00 33.23 N ATOM 0 H GLN A 88 -26.050 7.474 -17.598 1.00 11.42 H new ATOM 0 HA GLN A 88 -24.451 9.854 -18.036 1.00 74.02 H new ATOM 0 HB2 GLN A 88 -24.286 7.800 -19.404 1.00 11.14 H new ATOM 0 HB3 GLN A 88 -25.928 8.049 -19.964 1.00 11.14 H new ATOM 0 HG2 GLN A 88 -25.351 10.018 -21.159 1.00 43.25 H new ATOM 0 HG3 GLN A 88 -23.828 10.196 -20.310 1.00 43.25 H new ATOM 0 HE21 GLN A 88 -25.039 9.486 -23.231 1.00 33.23 H new ATOM 0 HE22 GLN A 88 -23.799 8.377 -23.824 1.00 33.23 H new ATOM 1304 N PHE A 89 -26.222 11.581 -18.286 1.00 5.22 N ATOM 1305 CA PHE A 89 -27.214 12.623 -18.436 1.00 14.01 C ATOM 1306 C PHE A 89 -27.334 12.903 -19.931 1.00 0.41 C ATOM 1307 O PHE A 89 -26.326 13.140 -20.573 1.00 34.12 O ATOM 1308 CB PHE A 89 -26.744 13.866 -17.669 1.00 14.45 C ATOM 1309 CG PHE A 89 -26.282 13.557 -16.272 1.00 25.21 C ATOM 1310 CD1 PHE A 89 -27.214 13.349 -15.246 1.00 2.45 C ATOM 1311 CD2 PHE A 89 -24.911 13.455 -15.989 1.00 11.11 C ATOM 1312 CE1 PHE A 89 -26.781 13.013 -13.913 1.00 45.42 C ATOM 1313 CE2 PHE A 89 -24.457 13.135 -14.683 1.00 11.33 C ATOM 1314 CZ PHE A 89 -25.394 12.915 -13.658 1.00 35.43 C ATOM 0 H PHE A 89 -25.306 11.915 -17.987 1.00 5.22 H new ATOM 0 HA PHE A 89 -28.185 12.332 -18.036 1.00 14.01 H new ATOM 0 HB2 PHE A 89 -25.930 14.338 -18.218 1.00 14.45 H new ATOM 0 HB3 PHE A 89 -27.559 14.588 -17.624 1.00 14.45 H new ATOM 0 HD1 PHE A 89 -28.269 13.442 -15.457 1.00 2.45 H new ATOM 0 HD2 PHE A 89 -24.191 13.622 -16.777 1.00 11.11 H new ATOM 0 HE1 PHE A 89 -27.500 12.840 -13.126 1.00 45.42 H new ATOM 0 HE2 PHE A 89 -23.399 13.061 -14.478 1.00 11.33 H new ATOM 0 HZ PHE A 89 -25.050 12.668 -12.664 1.00 35.43 H new ATOM 1324 N GLU A 90 -28.535 12.797 -20.467 1.00 54.13 N ATOM 1325 CA GLU A 90 -28.744 12.874 -21.907 1.00 3.04 C ATOM 1326 C GLU A 90 -29.747 13.960 -22.310 1.00 50.13 C ATOM 1327 O GLU A 90 -30.542 14.433 -21.472 1.00 4.53 O ATOM 1328 CB GLU A 90 -29.242 11.515 -22.399 1.00 11.51 C ATOM 1329 CG GLU A 90 -28.705 11.117 -23.757 1.00 33.43 C ATOM 1330 CD GLU A 90 -27.246 10.766 -23.679 1.00 75.12 C ATOM 1331 OE1 GLU A 90 -26.927 9.622 -23.330 1.00 50.33 O ATOM 1332 OE2 GLU A 90 -26.408 11.654 -23.920 1.00 24.41 O ATOM 0 H GLU A 90 -29.388 12.656 -19.926 1.00 54.13 H new ATOM 0 HA GLU A 90 -27.792 13.139 -22.366 1.00 3.04 H new ATOM 0 HB2 GLU A 90 -28.963 10.752 -21.672 1.00 11.51 H new ATOM 0 HB3 GLU A 90 -30.331 11.532 -22.441 1.00 11.51 H new ATOM 0 HG2 GLU A 90 -29.267 10.265 -24.139 1.00 33.43 H new ATOM 0 HG3 GLU A 90 -28.848 11.935 -24.463 1.00 33.43 H new ATOM 1339 N LYS A 91 -29.719 14.311 -23.596 1.00 4.25 N ATOM 1340 CA LYS A 91 -30.620 15.273 -24.203 1.00 10.45 C ATOM 1341 C LYS A 91 -30.925 14.646 -25.540 1.00 31.02 C ATOM 1342 O LYS A 91 -31.956 14.987 -26.136 1.00 44.43 O ATOM 1343 CB LYS A 91 -29.981 16.653 -24.384 1.00 33.33 C ATOM 1344 CG LYS A 91 -30.333 17.655 -23.329 1.00 41.32 C ATOM 1345 CD LYS A 91 -29.428 17.580 -22.131 1.00 1.04 C ATOM 1346 CE LYS A 91 -29.861 18.567 -21.063 1.00 4.43 C ATOM 1347 NZ LYS A 91 -29.686 19.982 -21.527 1.00 71.03 N ATOM 0 H LYS A 91 -29.048 13.919 -24.257 1.00 4.25 H new ATOM 0 HA LYS A 91 -31.499 15.460 -23.586 1.00 10.45 H new ATOM 0 HB2 LYS A 91 -28.898 16.535 -24.405 1.00 33.33 H new ATOM 0 HB3 LYS A 91 -30.278 17.050 -25.355 1.00 33.33 H new ATOM 0 HG2 LYS A 91 -30.283 18.657 -23.755 1.00 41.32 H new ATOM 0 HG3 LYS A 91 -31.363 17.495 -23.011 1.00 41.32 H new ATOM 0 HD2 LYS A 91 -29.440 16.569 -21.724 1.00 1.04 H new ATOM 0 HD3 LYS A 91 -28.402 17.790 -22.432 1.00 1.04 H new ATOM 0 HE2 LYS A 91 -30.906 18.393 -20.806 1.00 4.43 H new ATOM 0 HE3 LYS A 91 -29.278 18.404 -20.156 1.00 4.43 H new ATOM 0 HZ1 LYS A 91 -29.776 20.627 -20.716 1.00 71.03 H new ATOM 0 HZ2 LYS A 91 -28.744 20.093 -21.955 1.00 71.03 H new ATOM 0 HZ3 LYS A 91 -30.416 20.209 -22.233 1.00 71.03 H new TER 1361 LYS A 91