USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 794 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 37 SER OG : rot 120:sc= 0.125 USER MOD Set 1.2: A 69 HIS :FLIP no HD1:sc= -0.843 F(o=-1.2,f=-0.13) USER MOD Set 1.3: A 87 TYR OH : rot -81:sc= 0.589 USER MOD Set 2.1: A 84 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 95 SER OG : rot -139:sc= -0.76 USER MOD Set 3.1: A 64 ASN :FLIP amide:sc= -0.615 F(o=-3.4,f=-1.2) USER MOD Set 3.2: A 68 THR OG1 : rot 180:sc= -0.574 USER MOD Set 3.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -58:sc= 0.484 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 27:sc= 0.772 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -123:sc=-0.00773 (180deg=-0.933) USER MOD Single : A 23 SER OG : rot -27:sc= 0.0539 USER MOD Single : A 31 GLN : amide:sc= -2.79! C(o=-2.8!,f=-4.2!) USER MOD Single : A 32 SER OG : rot 23:sc= -0.433 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.138 F(o=-1.6,f=-0.14) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -1:sc= 0.485 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.347 K(o=-0.35,f=-2.3!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.886 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.363) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 23:sc= -0.765 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.656 32.116 -8.930 1.00 0.00 N ATOM 2 CA GLY A 1 -6.757 32.209 -7.989 1.00 0.00 C ATOM 3 C GLY A 1 -6.388 31.693 -6.613 1.00 0.00 C ATOM 4 O GLY A 1 -7.142 30.931 -6.006 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.959 32.481 -9.856 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.853 32.678 -8.582 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.366 31.122 -9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.077 33.248 -7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.606 31.642 -8.371 1.00 0.00 H new ATOM 8 N SER A 2 -5.225 32.107 -6.119 1.00 0.00 N ATOM 9 CA SER A 2 -4.755 31.675 -4.807 1.00 0.00 C ATOM 10 C SER A 2 -4.485 30.174 -4.793 1.00 0.00 C ATOM 11 O SER A 2 -4.837 29.478 -3.841 1.00 0.00 O ATOM 12 CB SER A 2 -5.785 32.029 -3.732 1.00 0.00 C ATOM 13 OG SER A 2 -5.278 31.769 -2.434 1.00 0.00 O ATOM 0 H SER A 2 -4.591 32.740 -6.607 1.00 0.00 H new ATOM 0 HA SER A 2 -3.822 32.196 -4.593 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.056 33.082 -3.816 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.696 31.452 -3.892 1.00 0.00 H new ATOM 0 HG SER A 2 -5.021 30.826 -2.366 1.00 0.00 H new ATOM 19 N SER A 3 -3.856 29.683 -5.856 1.00 0.00 N ATOM 20 CA SER A 3 -3.540 28.264 -5.969 1.00 0.00 C ATOM 21 C SER A 3 -2.038 28.030 -5.840 1.00 0.00 C ATOM 22 O SER A 3 -1.231 28.862 -6.253 1.00 0.00 O ATOM 23 CB SER A 3 -4.041 27.713 -7.305 1.00 0.00 C ATOM 24 OG SER A 3 -3.961 26.298 -7.337 1.00 0.00 O ATOM 0 H SER A 3 -3.555 30.247 -6.651 1.00 0.00 H new ATOM 0 HA SER A 3 -4.043 27.739 -5.157 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.073 28.026 -7.467 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.450 28.132 -8.119 1.00 0.00 H new ATOM 0 HG SER A 3 -4.289 25.971 -8.201 1.00 0.00 H new ATOM 30 N GLY A 4 -1.671 26.889 -5.264 1.00 0.00 N ATOM 31 CA GLY A 4 -0.266 26.565 -5.091 1.00 0.00 C ATOM 32 C GLY A 4 0.022 25.938 -3.741 1.00 0.00 C ATOM 33 O GLY A 4 -0.881 25.774 -2.920 1.00 0.00 O ATOM 0 H GLY A 4 -2.320 26.184 -4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.046 25.881 -5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.329 27.471 -5.202 1.00 0.00 H new ATOM 37 N SER A 5 1.282 25.586 -3.511 1.00 0.00 N ATOM 38 CA SER A 5 1.686 24.968 -2.253 1.00 0.00 C ATOM 39 C SER A 5 2.375 25.984 -1.346 1.00 0.00 C ATOM 40 O SER A 5 3.446 26.494 -1.670 1.00 0.00 O ATOM 41 CB SER A 5 2.621 23.787 -2.518 1.00 0.00 C ATOM 42 OG SER A 5 3.846 24.221 -3.081 1.00 0.00 O ATOM 0 H SER A 5 2.041 25.718 -4.179 1.00 0.00 H new ATOM 0 HA SER A 5 0.790 24.606 -1.749 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.814 23.256 -1.586 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.137 23.081 -3.193 1.00 0.00 H new ATOM 0 HG SER A 5 4.030 25.140 -2.796 1.00 0.00 H new ATOM 48 N SER A 6 1.750 26.270 -0.207 1.00 0.00 N ATOM 49 CA SER A 6 2.300 27.226 0.746 1.00 0.00 C ATOM 50 C SER A 6 3.145 26.518 1.801 1.00 0.00 C ATOM 51 O SER A 6 3.058 26.823 2.989 1.00 0.00 O ATOM 52 CB SER A 6 1.173 28.010 1.420 1.00 0.00 C ATOM 53 OG SER A 6 0.437 28.763 0.473 1.00 0.00 O ATOM 0 H SER A 6 0.863 25.853 0.077 1.00 0.00 H new ATOM 0 HA SER A 6 2.940 27.919 0.200 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.506 27.321 1.938 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.591 28.677 2.174 1.00 0.00 H new ATOM 0 HG SER A 6 -0.278 29.253 0.930 1.00 0.00 H new ATOM 59 N GLY A 7 3.963 25.569 1.355 1.00 0.00 N ATOM 60 CA GLY A 7 4.811 24.831 2.272 1.00 0.00 C ATOM 61 C GLY A 7 4.021 24.140 3.365 1.00 0.00 C ATOM 62 O GLY A 7 4.340 24.266 4.548 1.00 0.00 O ATOM 0 H GLY A 7 4.053 25.299 0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.382 24.088 1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.531 25.513 2.724 1.00 0.00 H new ATOM 66 N VAL A 8 2.984 23.406 2.971 1.00 0.00 N ATOM 67 CA VAL A 8 2.145 22.693 3.926 1.00 0.00 C ATOM 68 C VAL A 8 1.962 21.236 3.515 1.00 0.00 C ATOM 69 O VAL A 8 1.867 20.922 2.330 1.00 0.00 O ATOM 70 CB VAL A 8 0.761 23.355 4.061 1.00 0.00 C ATOM 71 CG1 VAL A 8 0.032 23.345 2.727 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.061 22.655 5.133 1.00 0.00 C ATOM 0 H VAL A 8 2.706 23.290 1.997 1.00 0.00 H new ATOM 0 HA VAL A 8 2.654 22.735 4.889 1.00 0.00 H new ATOM 0 HB VAL A 8 0.901 24.393 4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.944 23.817 2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.616 23.895 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.100 22.316 2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.036 23.135 5.215 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.194 21.607 4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.458 22.720 6.090 1.00 0.00 H new ATOM 82 N VAL A 9 1.912 20.351 4.505 1.00 0.00 N ATOM 83 CA VAL A 9 1.737 18.926 4.248 1.00 0.00 C ATOM 84 C VAL A 9 0.343 18.460 4.653 1.00 0.00 C ATOM 85 O VAL A 9 -0.152 18.810 5.724 1.00 0.00 O ATOM 86 CB VAL A 9 2.786 18.087 5.003 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.503 16.602 4.836 1.00 0.00 C ATOM 88 CG2 VAL A 9 4.188 18.427 4.520 1.00 0.00 C ATOM 0 H VAL A 9 1.990 20.595 5.492 1.00 0.00 H new ATOM 0 HA VAL A 9 1.868 18.780 3.176 1.00 0.00 H new ATOM 0 HB VAL A 9 2.723 18.328 6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.254 16.025 5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.514 16.373 5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.537 16.342 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.916 17.825 5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.267 18.216 3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.387 19.484 4.696 1.00 0.00 H new ATOM 98 N ASP A 10 -0.283 17.669 3.790 1.00 0.00 N ATOM 99 CA ASP A 10 -1.622 17.153 4.059 1.00 0.00 C ATOM 100 C ASP A 10 -1.699 15.660 3.753 1.00 0.00 C ATOM 101 O ASP A 10 -1.891 15.244 2.611 1.00 0.00 O ATOM 102 CB ASP A 10 -2.659 17.911 3.229 1.00 0.00 C ATOM 103 CG ASP A 10 -2.787 19.362 3.647 1.00 0.00 C ATOM 104 OD1 ASP A 10 -3.584 19.647 4.566 1.00 0.00 O ATOM 105 OD2 ASP A 10 -2.091 20.213 3.057 1.00 0.00 O ATOM 0 H ASP A 10 0.113 17.371 2.899 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.837 17.301 5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.383 17.862 2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.628 17.421 3.327 1.00 0.00 H new ATOM 110 N PRO A 11 -1.546 14.834 4.799 1.00 0.00 N ATOM 111 CA PRO A 11 -1.595 13.375 4.668 1.00 0.00 C ATOM 112 C PRO A 11 -2.997 12.868 4.347 1.00 0.00 C ATOM 113 O PRO A 11 -3.210 11.667 4.177 1.00 0.00 O ATOM 114 CB PRO A 11 -1.150 12.880 6.046 1.00 0.00 C ATOM 115 CG PRO A 11 -1.493 13.992 6.977 1.00 0.00 C ATOM 116 CD PRO A 11 -1.314 15.260 6.189 1.00 0.00 C ATOM 0 HA PRO A 11 -0.970 13.018 3.849 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.665 11.960 6.322 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.082 12.664 6.063 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.517 13.898 7.337 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.845 13.982 7.853 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.023 16.028 6.497 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.315 15.677 6.320 1.00 0.00 H new ATOM 124 N SER A 12 -3.951 13.791 4.266 1.00 0.00 N ATOM 125 CA SER A 12 -5.334 13.436 3.969 1.00 0.00 C ATOM 126 C SER A 12 -5.662 13.711 2.504 1.00 0.00 C ATOM 127 O SER A 12 -6.826 13.700 2.104 1.00 0.00 O ATOM 128 CB SER A 12 -6.289 14.219 4.873 1.00 0.00 C ATOM 129 OG SER A 12 -6.013 13.972 6.241 1.00 0.00 O ATOM 0 H SER A 12 -3.791 14.789 4.402 1.00 0.00 H new ATOM 0 HA SER A 12 -5.459 12.370 4.158 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.198 15.285 4.667 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.318 13.938 4.650 1.00 0.00 H new ATOM 0 HG SER A 12 -6.635 14.485 6.798 1.00 0.00 H new ATOM 135 N LYS A 13 -4.627 13.959 1.709 1.00 0.00 N ATOM 136 CA LYS A 13 -4.803 14.236 0.288 1.00 0.00 C ATOM 137 C LYS A 13 -4.117 13.172 -0.562 1.00 0.00 C ATOM 138 O LYS A 13 -4.291 13.130 -1.780 1.00 0.00 O ATOM 139 CB LYS A 13 -4.241 15.618 -0.056 1.00 0.00 C ATOM 140 CG LYS A 13 -4.745 16.724 0.856 1.00 0.00 C ATOM 141 CD LYS A 13 -6.018 17.354 0.316 1.00 0.00 C ATOM 142 CE LYS A 13 -7.256 16.634 0.827 1.00 0.00 C ATOM 143 NZ LYS A 13 -8.487 17.456 0.656 1.00 0.00 N ATOM 0 H LYS A 13 -3.657 13.974 2.024 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.871 14.219 0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.153 15.582 -0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.502 15.861 -1.086 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.931 16.320 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.976 17.489 0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.059 18.403 0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.004 17.328 -0.774 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.373 15.690 0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.125 16.391 1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.309 16.930 1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.386 18.346 1.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.626 17.667 -0.353 1.00 0.00 H new ATOM 157 N VAL A 14 -3.339 12.312 0.087 1.00 0.00 N ATOM 158 CA VAL A 14 -2.630 11.245 -0.610 1.00 0.00 C ATOM 159 C VAL A 14 -3.540 10.045 -0.848 1.00 0.00 C ATOM 160 O VAL A 14 -4.280 9.626 0.041 1.00 0.00 O ATOM 161 CB VAL A 14 -1.390 10.786 0.180 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.737 10.583 1.648 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.817 9.512 -0.422 1.00 0.00 C ATOM 0 H VAL A 14 -3.183 12.333 1.095 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.310 11.651 -1.570 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.630 11.565 0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.849 10.259 2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.097 11.521 2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.514 9.823 1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.059 9.202 0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.569 8.724 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.529 9.696 -1.457 1.00 0.00 H new ATOM 173 N LYS A 15 -3.479 9.495 -2.057 1.00 0.00 N ATOM 174 CA LYS A 15 -4.297 8.342 -2.414 1.00 0.00 C ATOM 175 C LYS A 15 -3.455 7.272 -3.102 1.00 0.00 C ATOM 176 O LYS A 15 -2.313 7.521 -3.489 1.00 0.00 O ATOM 177 CB LYS A 15 -5.446 8.768 -3.330 1.00 0.00 C ATOM 178 CG LYS A 15 -6.408 9.750 -2.682 1.00 0.00 C ATOM 179 CD LYS A 15 -7.392 10.315 -3.691 1.00 0.00 C ATOM 180 CE LYS A 15 -8.535 9.348 -3.959 1.00 0.00 C ATOM 181 NZ LYS A 15 -8.220 8.412 -5.073 1.00 0.00 N ATOM 0 H LYS A 15 -2.872 9.829 -2.805 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.710 7.923 -1.496 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.032 9.219 -4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.999 7.882 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.953 9.251 -1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.845 10.565 -2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.792 11.259 -3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.873 10.533 -4.624 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.748 8.778 -3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.437 9.910 -4.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.948 8.494 -5.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.291 8.650 -5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.201 7.437 -4.712 1.00 0.00 H new ATOM 195 N ILE A 16 -4.027 6.082 -3.252 1.00 0.00 N ATOM 196 CA ILE A 16 -3.330 4.975 -3.896 1.00 0.00 C ATOM 197 C ILE A 16 -4.292 4.120 -4.713 1.00 0.00 C ATOM 198 O ILE A 16 -5.385 3.789 -4.256 1.00 0.00 O ATOM 199 CB ILE A 16 -2.616 4.082 -2.864 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.638 3.417 -1.941 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.618 4.900 -2.057 1.00 0.00 C ATOM 202 CD1 ILE A 16 -3.020 2.459 -0.947 1.00 0.00 C ATOM 0 H ILE A 16 -4.971 5.860 -2.936 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.586 5.415 -4.560 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.071 3.301 -3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.183 4.190 -1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.367 2.879 -2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.121 4.255 -1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.875 5.332 -2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.142 5.699 -1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.803 2.024 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.499 1.665 -1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.312 2.996 -0.316 1.00 0.00 H new ATOM 214 N ALA A 17 -3.876 3.765 -5.925 1.00 0.00 N ATOM 215 CA ALA A 17 -4.700 2.944 -6.804 1.00 0.00 C ATOM 216 C ALA A 17 -3.847 1.948 -7.582 1.00 0.00 C ATOM 217 O ALA A 17 -2.813 2.306 -8.145 1.00 0.00 O ATOM 218 CB ALA A 17 -5.491 3.825 -7.761 1.00 0.00 C ATOM 0 H ALA A 17 -2.974 4.033 -6.320 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.398 2.380 -6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.102 3.199 -8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.136 4.494 -7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.802 4.414 -8.367 1.00 0.00 H new ATOM 224 N GLY A 18 -4.288 0.693 -7.610 1.00 0.00 N ATOM 225 CA GLY A 18 -3.552 -0.336 -8.322 1.00 0.00 C ATOM 226 C GLY A 18 -4.110 -1.723 -8.074 1.00 0.00 C ATOM 227 O GLY A 18 -5.029 -1.913 -7.277 1.00 0.00 O ATOM 0 H GLY A 18 -5.141 0.371 -7.153 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.577 -0.123 -9.391 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.506 -0.308 -8.016 1.00 0.00 H new ATOM 231 N PRO A 19 -3.549 -2.724 -8.770 1.00 0.00 N ATOM 232 CA PRO A 19 -3.981 -4.119 -8.638 1.00 0.00 C ATOM 233 C PRO A 19 -3.605 -4.717 -7.288 1.00 0.00 C ATOM 234 O PRO A 19 -4.346 -5.524 -6.728 1.00 0.00 O ATOM 235 CB PRO A 19 -3.228 -4.829 -9.766 1.00 0.00 C ATOM 236 CG PRO A 19 -2.025 -3.987 -10.009 1.00 0.00 C ATOM 237 CD PRO A 19 -2.449 -2.570 -9.737 1.00 0.00 C ATOM 0 HA PRO A 19 -5.065 -4.219 -8.700 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.950 -5.843 -9.479 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.843 -4.909 -10.663 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.204 -4.281 -9.355 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.671 -4.099 -11.034 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.632 -1.978 -9.325 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.780 -2.068 -10.646 1.00 0.00 H new ATOM 245 N GLY A 20 -2.449 -4.316 -6.768 1.00 0.00 N ATOM 246 CA GLY A 20 -1.996 -4.823 -5.486 1.00 0.00 C ATOM 247 C GLY A 20 -3.014 -4.604 -4.383 1.00 0.00 C ATOM 248 O GLY A 20 -3.250 -5.490 -3.561 1.00 0.00 O ATOM 0 H GLY A 20 -1.818 -3.649 -7.212 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.784 -5.889 -5.574 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.060 -4.334 -5.215 1.00 0.00 H new ATOM 252 N LEU A 21 -3.617 -3.420 -4.364 1.00 0.00 N ATOM 253 CA LEU A 21 -4.614 -3.086 -3.353 1.00 0.00 C ATOM 254 C LEU A 21 -5.955 -3.739 -3.673 1.00 0.00 C ATOM 255 O LEU A 21 -6.744 -4.035 -2.777 1.00 0.00 O ATOM 256 CB LEU A 21 -4.782 -1.569 -3.256 1.00 0.00 C ATOM 257 CG LEU A 21 -3.498 -0.762 -3.066 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.700 0.676 -3.518 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.048 -0.809 -1.614 1.00 0.00 C ATOM 0 H LEU A 21 -3.433 -2.676 -5.037 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.265 -3.469 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.276 -1.220 -4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.451 -1.350 -2.424 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.717 -1.208 -3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.775 1.236 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.974 0.691 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.496 1.134 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.132 -0.229 -1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.827 -0.389 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.862 -1.843 -1.324 1.00 0.00 H new ATOM 271 N GLY A 22 -6.205 -3.963 -4.961 1.00 0.00 N ATOM 272 CA GLY A 22 -7.450 -4.581 -5.378 1.00 0.00 C ATOM 273 C GLY A 22 -7.769 -5.833 -4.585 1.00 0.00 C ATOM 274 O GLY A 22 -6.979 -6.265 -3.747 1.00 0.00 O ATOM 0 H GLY A 22 -5.568 -3.727 -5.722 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.264 -3.865 -5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.391 -4.831 -6.437 1.00 0.00 H new ATOM 278 N SER A 23 -8.934 -6.417 -4.850 1.00 0.00 N ATOM 279 CA SER A 23 -9.359 -7.625 -4.151 1.00 0.00 C ATOM 280 C SER A 23 -8.932 -8.873 -4.916 1.00 0.00 C ATOM 281 O SER A 23 -8.893 -9.972 -4.362 1.00 0.00 O ATOM 282 CB SER A 23 -10.877 -7.623 -3.962 1.00 0.00 C ATOM 283 OG SER A 23 -11.290 -8.693 -3.129 1.00 0.00 O ATOM 0 H SER A 23 -9.599 -6.074 -5.543 1.00 0.00 H new ATOM 0 HA SER A 23 -8.879 -7.637 -3.173 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.191 -6.675 -3.524 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.367 -7.703 -4.932 1.00 0.00 H new ATOM 0 HG SER A 23 -10.642 -9.425 -3.192 1.00 0.00 H new ATOM 289 N GLY A 24 -8.612 -8.697 -6.195 1.00 0.00 N ATOM 290 CA GLY A 24 -8.192 -9.817 -7.016 1.00 0.00 C ATOM 291 C GLY A 24 -6.709 -10.105 -6.890 1.00 0.00 C ATOM 292 O GLY A 24 -6.010 -10.252 -7.892 1.00 0.00 O ATOM 0 H GLY A 24 -8.636 -7.798 -6.677 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.757 -10.705 -6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.431 -9.609 -8.059 1.00 0.00 H new ATOM 296 N VAL A 25 -6.225 -10.183 -5.654 1.00 0.00 N ATOM 297 CA VAL A 25 -4.816 -10.455 -5.400 1.00 0.00 C ATOM 298 C VAL A 25 -4.573 -11.944 -5.185 1.00 0.00 C ATOM 299 O VAL A 25 -5.372 -12.627 -4.545 1.00 0.00 O ATOM 300 CB VAL A 25 -4.309 -9.680 -4.168 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.832 -9.959 -3.934 1.00 0.00 C ATOM 302 CG2 VAL A 25 -4.557 -8.189 -4.338 1.00 0.00 C ATOM 0 H VAL A 25 -6.789 -10.061 -4.813 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.266 -10.124 -6.281 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.863 -10.020 -3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.491 -9.404 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.685 -11.026 -3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.260 -9.648 -4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.193 -7.657 -3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.030 -7.831 -5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.626 -8.009 -4.454 1.00 0.00 H new ATOM 312 N ARG A 26 -3.464 -12.441 -5.724 1.00 0.00 N ATOM 313 CA ARG A 26 -3.115 -13.850 -5.592 1.00 0.00 C ATOM 314 C ARG A 26 -1.793 -14.015 -4.849 1.00 0.00 C ATOM 315 O ARG A 26 -0.908 -13.166 -4.941 1.00 0.00 O ATOM 316 CB ARG A 26 -3.023 -14.506 -6.971 1.00 0.00 C ATOM 317 CG ARG A 26 -4.352 -14.562 -7.709 1.00 0.00 C ATOM 318 CD ARG A 26 -4.319 -15.579 -8.838 1.00 0.00 C ATOM 319 NE ARG A 26 -5.336 -15.306 -9.850 1.00 0.00 N ATOM 320 CZ ARG A 26 -5.817 -16.229 -10.677 1.00 0.00 C ATOM 321 NH1 ARG A 26 -5.376 -17.478 -10.610 1.00 0.00 N ATOM 322 NH2 ARG A 26 -6.741 -15.904 -11.571 1.00 0.00 N ATOM 0 H ARG A 26 -2.792 -11.888 -6.256 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.900 -14.340 -5.016 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.303 -13.957 -7.578 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.637 -15.519 -6.857 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.147 -14.819 -7.009 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.588 -13.577 -8.112 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.333 -15.572 -9.303 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.472 -16.578 -8.430 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.697 -14.355 -9.926 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.666 -17.732 -9.923 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.747 -18.184 -11.246 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.084 -14.945 -11.625 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.109 -16.613 -12.205 1.00 0.00 H new ATOM 336 N ALA A 27 -1.667 -15.116 -4.114 1.00 0.00 N ATOM 337 CA ALA A 27 -0.453 -15.394 -3.357 1.00 0.00 C ATOM 338 C ALA A 27 0.705 -15.743 -4.285 1.00 0.00 C ATOM 339 O ALA A 27 0.497 -16.232 -5.396 1.00 0.00 O ATOM 340 CB ALA A 27 -0.696 -16.523 -2.365 1.00 0.00 C ATOM 0 H ALA A 27 -2.391 -15.829 -4.027 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.184 -14.493 -2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.219 -16.720 -1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.488 -16.236 -1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.993 -17.423 -2.904 1.00 0.00 H new ATOM 346 N ARG A 28 1.925 -15.487 -3.823 1.00 0.00 N ATOM 347 CA ARG A 28 3.116 -15.774 -4.614 1.00 0.00 C ATOM 348 C ARG A 28 3.037 -15.099 -5.980 1.00 0.00 C ATOM 349 O ARG A 28 3.438 -15.674 -6.992 1.00 0.00 O ATOM 350 CB ARG A 28 3.289 -17.284 -4.788 1.00 0.00 C ATOM 351 CG ARG A 28 3.466 -18.032 -3.477 1.00 0.00 C ATOM 352 CD ARG A 28 4.238 -19.327 -3.673 1.00 0.00 C ATOM 353 NE ARG A 28 5.600 -19.086 -4.139 1.00 0.00 N ATOM 354 CZ ARG A 28 6.325 -19.989 -4.792 1.00 0.00 C ATOM 355 NH1 ARG A 28 5.818 -21.186 -5.055 1.00 0.00 N ATOM 356 NH2 ARG A 28 7.558 -19.695 -5.183 1.00 0.00 N ATOM 0 H ARG A 28 2.114 -15.082 -2.906 1.00 0.00 H new ATOM 0 HA ARG A 28 3.979 -15.376 -4.081 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.419 -17.683 -5.310 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.155 -17.471 -5.423 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.992 -17.398 -2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.489 -18.252 -3.048 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.269 -19.877 -2.732 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.714 -19.956 -4.393 1.00 0.00 H new ATOM 0 HE ARG A 28 6.019 -18.175 -3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.870 -21.415 -4.756 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.376 -21.877 -5.556 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.951 -18.775 -4.983 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.113 -20.389 -5.684 1.00 0.00 H new ATOM 370 N VAL A 29 2.516 -13.876 -6.002 1.00 0.00 N ATOM 371 CA VAL A 29 2.384 -13.122 -7.243 1.00 0.00 C ATOM 372 C VAL A 29 2.847 -11.681 -7.063 1.00 0.00 C ATOM 373 O VAL A 29 2.631 -11.075 -6.013 1.00 0.00 O ATOM 374 CB VAL A 29 0.929 -13.124 -7.748 1.00 0.00 C ATOM 375 CG1 VAL A 29 0.746 -12.092 -8.851 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.535 -14.511 -8.233 1.00 0.00 C ATOM 0 H VAL A 29 2.178 -13.386 -5.174 1.00 0.00 H new ATOM 0 HA VAL A 29 3.018 -13.614 -7.981 1.00 0.00 H new ATOM 0 HB VAL A 29 0.274 -12.855 -6.919 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.288 -12.107 -9.196 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.985 -11.101 -8.465 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.409 -12.327 -9.683 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.496 -14.494 -8.586 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.193 -14.812 -9.048 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.626 -15.223 -7.412 1.00 0.00 H new ATOM 386 N LEU A 30 3.484 -11.137 -8.094 1.00 0.00 N ATOM 387 CA LEU A 30 3.977 -9.765 -8.051 1.00 0.00 C ATOM 388 C LEU A 30 2.822 -8.772 -7.980 1.00 0.00 C ATOM 389 O LEU A 30 2.035 -8.654 -8.919 1.00 0.00 O ATOM 390 CB LEU A 30 4.841 -9.474 -9.279 1.00 0.00 C ATOM 391 CG LEU A 30 5.574 -8.133 -9.282 1.00 0.00 C ATOM 392 CD1 LEU A 30 6.734 -8.156 -8.296 1.00 0.00 C ATOM 393 CD2 LEU A 30 6.069 -7.797 -10.681 1.00 0.00 C ATOM 0 H LEU A 30 3.671 -11.625 -8.970 1.00 0.00 H new ATOM 0 HA LEU A 30 4.584 -9.652 -7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.580 -10.269 -9.375 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.206 -9.520 -10.164 1.00 0.00 H new ATOM 0 HG LEU A 30 4.873 -7.358 -8.971 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.244 -7.193 -8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.355 -8.349 -7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.435 -8.942 -8.577 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.588 -6.839 -10.663 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.753 -8.574 -11.021 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.220 -7.737 -11.363 1.00 0.00 H new ATOM 405 N GLN A 31 2.727 -8.060 -6.862 1.00 0.00 N ATOM 406 CA GLN A 31 1.668 -7.076 -6.671 1.00 0.00 C ATOM 407 C GLN A 31 2.250 -5.676 -6.503 1.00 0.00 C ATOM 408 O GLN A 31 3.136 -5.457 -5.676 1.00 0.00 O ATOM 409 CB GLN A 31 0.821 -7.440 -5.451 1.00 0.00 C ATOM 410 CG GLN A 31 0.280 -8.860 -5.486 1.00 0.00 C ATOM 411 CD GLN A 31 -0.696 -9.085 -6.624 1.00 0.00 C ATOM 412 OE1 GLN A 31 -1.054 -8.153 -7.343 1.00 0.00 O ATOM 413 NE2 GLN A 31 -1.133 -10.328 -6.792 1.00 0.00 N ATOM 0 H GLN A 31 3.370 -8.146 -6.075 1.00 0.00 H new ATOM 0 HA GLN A 31 1.035 -7.082 -7.559 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.422 -7.311 -4.551 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.015 -6.744 -5.379 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.111 -9.559 -5.582 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.214 -9.080 -4.540 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.809 -11.071 -6.172 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.792 -10.540 -7.541 1.00 0.00 H new ATOM 422 N SER A 32 1.745 -4.733 -7.292 1.00 0.00 N ATOM 423 CA SER A 32 2.218 -3.354 -7.233 1.00 0.00 C ATOM 424 C SER A 32 1.055 -2.376 -7.362 1.00 0.00 C ATOM 425 O SER A 32 -0.047 -2.752 -7.765 1.00 0.00 O ATOM 426 CB SER A 32 3.241 -3.097 -8.340 1.00 0.00 C ATOM 427 OG SER A 32 3.957 -1.897 -8.103 1.00 0.00 O ATOM 0 H SER A 32 1.009 -4.898 -7.979 1.00 0.00 H new ATOM 0 HA SER A 32 2.694 -3.199 -6.265 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.937 -3.934 -8.398 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.733 -3.037 -9.303 1.00 0.00 H new ATOM 0 HG SER A 32 3.931 -1.684 -7.147 1.00 0.00 H new ATOM 433 N PHE A 33 1.307 -1.118 -7.014 1.00 0.00 N ATOM 434 CA PHE A 33 0.281 -0.084 -7.089 1.00 0.00 C ATOM 435 C PHE A 33 0.912 1.302 -7.174 1.00 0.00 C ATOM 436 O PHE A 33 2.113 1.467 -6.954 1.00 0.00 O ATOM 437 CB PHE A 33 -0.643 -0.163 -5.872 1.00 0.00 C ATOM 438 CG PHE A 33 0.093 -0.205 -4.564 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.786 -1.343 -4.179 1.00 0.00 C ATOM 440 CD2 PHE A 33 0.091 0.891 -3.717 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.464 -1.385 -2.976 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.768 0.854 -2.511 1.00 0.00 C ATOM 443 CZ PHE A 33 1.454 -0.286 -2.141 1.00 0.00 C ATOM 0 H PHE A 33 2.212 -0.790 -6.677 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.305 -0.253 -7.992 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.311 0.698 -5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.268 -1.052 -5.957 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.796 -2.207 -4.827 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.445 1.784 -4.001 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.001 -2.277 -2.689 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.760 1.716 -1.860 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.982 -0.318 -1.199 1.00 0.00 H new ATOM 453 N THR A 34 0.094 2.300 -7.496 1.00 0.00 N ATOM 454 CA THR A 34 0.571 3.672 -7.612 1.00 0.00 C ATOM 455 C THR A 34 0.092 4.522 -6.440 1.00 0.00 C ATOM 456 O THR A 34 -1.091 4.515 -6.099 1.00 0.00 O ATOM 457 CB THR A 34 0.101 4.321 -8.928 1.00 0.00 C ATOM 458 OG1 THR A 34 0.546 3.542 -10.044 1.00 0.00 O ATOM 459 CG2 THR A 34 0.633 5.741 -9.051 1.00 0.00 C ATOM 0 H THR A 34 -0.902 2.183 -7.681 1.00 0.00 H new ATOM 0 HA THR A 34 1.660 3.629 -7.605 1.00 0.00 H new ATOM 0 HB THR A 34 -0.988 4.357 -8.921 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.242 3.960 -10.877 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.288 6.179 -9.988 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.270 6.339 -8.215 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.723 5.724 -9.038 1.00 0.00 H new ATOM 467 N VAL A 35 1.018 5.255 -5.829 1.00 0.00 N ATOM 468 CA VAL A 35 0.688 6.111 -4.696 1.00 0.00 C ATOM 469 C VAL A 35 0.814 7.585 -5.067 1.00 0.00 C ATOM 470 O VAL A 35 1.920 8.113 -5.186 1.00 0.00 O ATOM 471 CB VAL A 35 1.597 5.818 -3.487 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.208 6.689 -2.303 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.534 4.344 -3.120 1.00 0.00 C ATOM 0 H VAL A 35 2.001 5.273 -6.100 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.345 5.894 -4.425 1.00 0.00 H new ATOM 0 HB VAL A 35 2.625 6.057 -3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.861 6.468 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.310 7.740 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.174 6.485 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.182 4.154 -2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.509 4.076 -2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.866 3.744 -3.967 1.00 0.00 H new ATOM 483 N ASP A 36 -0.326 8.243 -5.248 1.00 0.00 N ATOM 484 CA ASP A 36 -0.344 9.657 -5.604 1.00 0.00 C ATOM 485 C ASP A 36 -0.332 10.532 -4.354 1.00 0.00 C ATOM 486 O ASP A 36 -1.352 10.687 -3.684 1.00 0.00 O ATOM 487 CB ASP A 36 -1.576 9.976 -6.453 1.00 0.00 C ATOM 488 CG ASP A 36 -1.521 11.365 -7.054 1.00 0.00 C ATOM 489 OD1 ASP A 36 -0.932 11.519 -8.144 1.00 0.00 O ATOM 490 OD2 ASP A 36 -2.068 12.301 -6.434 1.00 0.00 O ATOM 0 H ASP A 36 -1.249 7.820 -5.154 1.00 0.00 H new ATOM 0 HA ASP A 36 0.553 9.871 -6.185 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.663 9.241 -7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.471 9.885 -5.838 1.00 0.00 H new ATOM 495 N SER A 37 0.830 11.101 -4.048 1.00 0.00 N ATOM 496 CA SER A 37 0.975 11.956 -2.876 1.00 0.00 C ATOM 497 C SER A 37 1.365 13.374 -3.284 1.00 0.00 C ATOM 498 O SER A 37 1.986 14.105 -2.511 1.00 0.00 O ATOM 499 CB SER A 37 2.027 11.380 -1.925 1.00 0.00 C ATOM 500 OG SER A 37 3.315 11.399 -2.516 1.00 0.00 O ATOM 0 H SER A 37 1.683 10.985 -4.595 1.00 0.00 H new ATOM 0 HA SER A 37 0.014 11.994 -2.363 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.040 11.956 -1.000 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.760 10.357 -1.660 1.00 0.00 H new ATOM 0 HG SER A 37 3.919 11.941 -1.967 1.00 0.00 H new ATOM 506 N SER A 38 0.997 13.754 -4.502 1.00 0.00 N ATOM 507 CA SER A 38 1.311 15.083 -5.016 1.00 0.00 C ATOM 508 C SER A 38 0.466 16.147 -4.323 1.00 0.00 C ATOM 509 O SER A 38 0.947 17.239 -4.019 1.00 0.00 O ATOM 510 CB SER A 38 1.079 15.136 -6.527 1.00 0.00 C ATOM 511 OG SER A 38 1.222 16.458 -7.018 1.00 0.00 O ATOM 0 H SER A 38 0.481 13.161 -5.152 1.00 0.00 H new ATOM 0 HA SER A 38 2.362 15.287 -4.809 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.788 14.479 -7.030 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.081 14.765 -6.758 1.00 0.00 H new ATOM 0 HG SER A 38 1.071 16.466 -7.986 1.00 0.00 H new ATOM 517 N LYS A 39 -0.798 15.820 -4.074 1.00 0.00 N ATOM 518 CA LYS A 39 -1.712 16.746 -3.415 1.00 0.00 C ATOM 519 C LYS A 39 -1.380 16.875 -1.932 1.00 0.00 C ATOM 520 O LYS A 39 -1.732 17.865 -1.291 1.00 0.00 O ATOM 521 CB LYS A 39 -3.158 16.274 -3.585 1.00 0.00 C ATOM 522 CG LYS A 39 -3.660 16.356 -5.016 1.00 0.00 C ATOM 523 CD LYS A 39 -5.163 16.578 -5.067 1.00 0.00 C ATOM 524 CE LYS A 39 -5.687 16.519 -6.494 1.00 0.00 C ATOM 525 NZ LYS A 39 -7.159 16.298 -6.536 1.00 0.00 N ATOM 0 H LYS A 39 -1.213 14.921 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.598 17.724 -3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.238 15.243 -3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.805 16.876 -2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.153 17.170 -5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.409 15.436 -5.544 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.664 15.822 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.404 17.547 -4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.445 17.449 -7.009 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.184 15.716 -7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.477 16.264 -7.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.388 15.398 -6.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.641 17.077 -6.044 1.00 0.00 H new ATOM 539 N ALA A 40 -0.697 15.870 -1.392 1.00 0.00 N ATOM 540 CA ALA A 40 -0.314 15.875 0.014 1.00 0.00 C ATOM 541 C ALA A 40 0.801 16.881 0.275 1.00 0.00 C ATOM 542 O ALA A 40 0.783 17.595 1.278 1.00 0.00 O ATOM 543 CB ALA A 40 0.117 14.482 0.448 1.00 0.00 C ATOM 0 H ALA A 40 -0.398 15.042 -1.908 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.182 16.174 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.400 14.500 1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.709 13.785 0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.969 14.161 -0.152 1.00 0.00 H new ATOM 549 N GLY A 41 1.771 16.933 -0.632 1.00 0.00 N ATOM 550 CA GLY A 41 2.880 17.855 -0.480 1.00 0.00 C ATOM 551 C GLY A 41 4.208 17.233 -0.866 1.00 0.00 C ATOM 552 O GLY A 41 4.307 16.541 -1.880 1.00 0.00 O ATOM 0 H GLY A 41 1.808 16.352 -1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.703 18.737 -1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.928 18.193 0.555 1.00 0.00 H new ATOM 556 N LEU A 42 5.233 17.480 -0.058 1.00 0.00 N ATOM 557 CA LEU A 42 6.563 16.940 -0.319 1.00 0.00 C ATOM 558 C LEU A 42 7.009 16.018 0.810 1.00 0.00 C ATOM 559 O LEU A 42 8.196 15.728 0.956 1.00 0.00 O ATOM 560 CB LEU A 42 7.570 18.077 -0.495 1.00 0.00 C ATOM 561 CG LEU A 42 7.633 19.098 0.642 1.00 0.00 C ATOM 562 CD1 LEU A 42 6.596 20.191 0.433 1.00 0.00 C ATOM 563 CD2 LEU A 42 7.428 18.415 1.985 1.00 0.00 C ATOM 0 H LEU A 42 5.169 18.051 0.784 1.00 0.00 H new ATOM 0 HA LEU A 42 6.518 16.358 -1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.561 17.642 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.334 18.605 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 42 8.622 19.557 0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.654 20.909 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.789 20.700 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.600 19.748 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.476 19.157 2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.453 17.929 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.208 17.669 2.137 1.00 0.00 H new ATOM 575 N ALA A 43 6.049 15.558 1.607 1.00 0.00 N ATOM 576 CA ALA A 43 6.343 14.666 2.720 1.00 0.00 C ATOM 577 C ALA A 43 6.613 13.247 2.230 1.00 0.00 C ATOM 578 O ALA A 43 6.110 12.817 1.192 1.00 0.00 O ATOM 579 CB ALA A 43 5.195 14.672 3.718 1.00 0.00 C ATOM 0 H ALA A 43 5.061 15.789 1.501 1.00 0.00 H new ATOM 0 HA ALA A 43 7.243 15.029 3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.428 14.001 4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.051 15.682 4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.282 14.337 3.225 1.00 0.00 H new ATOM 585 N PRO A 44 7.425 12.501 2.994 1.00 0.00 N ATOM 586 CA PRO A 44 7.781 11.119 2.657 1.00 0.00 C ATOM 587 C PRO A 44 6.601 10.165 2.808 1.00 0.00 C ATOM 588 O PRO A 44 5.579 10.514 3.400 1.00 0.00 O ATOM 589 CB PRO A 44 8.878 10.778 3.668 1.00 0.00 C ATOM 590 CG PRO A 44 8.621 11.681 4.825 1.00 0.00 C ATOM 591 CD PRO A 44 8.061 12.949 4.244 1.00 0.00 C ATOM 0 HA PRO A 44 8.096 11.020 1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.831 9.730 3.965 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.870 10.946 3.248 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.918 11.229 5.525 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.539 11.878 5.378 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.341 13.415 4.916 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.843 13.684 4.056 1.00 0.00 H new ATOM 599 N LEU A 45 6.750 8.958 2.271 1.00 0.00 N ATOM 600 CA LEU A 45 5.697 7.952 2.347 1.00 0.00 C ATOM 601 C LEU A 45 6.225 6.657 2.955 1.00 0.00 C ATOM 602 O LEU A 45 7.340 6.230 2.657 1.00 0.00 O ATOM 603 CB LEU A 45 5.123 7.679 0.956 1.00 0.00 C ATOM 604 CG LEU A 45 4.267 6.420 0.817 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.805 6.736 1.092 1.00 0.00 C ATOM 606 CD2 LEU A 45 4.433 5.811 -0.567 1.00 0.00 C ATOM 0 H LEU A 45 7.590 8.653 1.779 1.00 0.00 H new ATOM 0 HA LEU A 45 4.906 8.338 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.521 8.538 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.951 7.611 0.250 1.00 0.00 H new ATOM 0 HG LEU A 45 4.605 5.691 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.211 5.828 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.701 7.124 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.454 7.483 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.816 4.916 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.123 6.534 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.479 5.546 -0.725 1.00 0.00 H new ATOM 618 N GLU A 46 5.415 6.036 3.807 1.00 0.00 N ATOM 619 CA GLU A 46 5.801 4.788 4.456 1.00 0.00 C ATOM 620 C GLU A 46 4.757 3.702 4.211 1.00 0.00 C ATOM 621 O GLU A 46 3.565 3.986 4.090 1.00 0.00 O ATOM 622 CB GLU A 46 5.985 5.004 5.959 1.00 0.00 C ATOM 623 CG GLU A 46 6.807 3.919 6.634 1.00 0.00 C ATOM 624 CD GLU A 46 7.459 4.394 7.918 1.00 0.00 C ATOM 625 OE1 GLU A 46 6.779 5.084 8.708 1.00 0.00 O ATOM 626 OE2 GLU A 46 8.647 4.077 8.134 1.00 0.00 O ATOM 0 H GLU A 46 4.488 6.376 4.064 1.00 0.00 H new ATOM 0 HA GLU A 46 6.748 4.462 4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.467 5.968 6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.005 5.053 6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.166 3.065 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.578 3.572 5.946 1.00 0.00 H new ATOM 633 N VAL A 47 5.215 2.456 4.138 1.00 0.00 N ATOM 634 CA VAL A 47 4.321 1.326 3.909 1.00 0.00 C ATOM 635 C VAL A 47 4.735 0.120 4.745 1.00 0.00 C ATOM 636 O VAL A 47 5.909 -0.045 5.076 1.00 0.00 O ATOM 637 CB VAL A 47 4.297 0.923 2.422 1.00 0.00 C ATOM 638 CG1 VAL A 47 3.272 -0.175 2.183 1.00 0.00 C ATOM 639 CG2 VAL A 47 4.008 2.134 1.548 1.00 0.00 C ATOM 0 H VAL A 47 6.199 2.203 4.234 1.00 0.00 H new ATOM 0 HA VAL A 47 3.323 1.646 4.208 1.00 0.00 H new ATOM 0 HB VAL A 47 5.279 0.534 2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.269 -0.447 1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.529 -1.049 2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.283 0.183 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.995 1.832 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.039 2.554 1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.783 2.885 1.699 1.00 0.00 H new ATOM 649 N ARG A 48 3.763 -0.721 5.081 1.00 0.00 N ATOM 650 CA ARG A 48 4.026 -1.913 5.878 1.00 0.00 C ATOM 651 C ARG A 48 2.995 -3.001 5.587 1.00 0.00 C ATOM 652 O ARG A 48 1.803 -2.722 5.454 1.00 0.00 O ATOM 653 CB ARG A 48 4.012 -1.568 7.369 1.00 0.00 C ATOM 654 CG ARG A 48 5.332 -1.016 7.878 1.00 0.00 C ATOM 655 CD ARG A 48 5.511 -1.282 9.365 1.00 0.00 C ATOM 656 NE ARG A 48 4.842 -0.276 10.186 1.00 0.00 N ATOM 657 CZ ARG A 48 5.377 0.900 10.490 1.00 0.00 C ATOM 658 NH1 ARG A 48 6.585 1.217 10.043 1.00 0.00 N ATOM 659 NH2 ARG A 48 4.706 1.762 11.242 1.00 0.00 N ATOM 0 H ARG A 48 2.786 -0.599 4.814 1.00 0.00 H new ATOM 0 HA ARG A 48 5.012 -2.290 5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.226 -0.837 7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.758 -2.462 7.938 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.155 -1.469 7.325 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.375 0.057 7.691 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.116 -2.269 9.607 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.574 -1.297 9.605 1.00 0.00 H new ATOM 0 HE ARG A 48 3.912 -0.489 10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.104 0.557 9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.995 2.121 10.278 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.777 1.522 11.588 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.119 2.665 11.475 1.00 0.00 H new ATOM 673 N VAL A 49 3.464 -4.240 5.488 1.00 0.00 N ATOM 674 CA VAL A 49 2.584 -5.370 5.212 1.00 0.00 C ATOM 675 C VAL A 49 2.608 -6.377 6.357 1.00 0.00 C ATOM 676 O VAL A 49 3.667 -6.876 6.737 1.00 0.00 O ATOM 677 CB VAL A 49 2.980 -6.084 3.906 1.00 0.00 C ATOM 678 CG1 VAL A 49 2.099 -7.304 3.676 1.00 0.00 C ATOM 679 CG2 VAL A 49 2.897 -5.126 2.728 1.00 0.00 C ATOM 0 H VAL A 49 4.448 -4.487 5.595 1.00 0.00 H new ATOM 0 HA VAL A 49 1.576 -4.968 5.106 1.00 0.00 H new ATOM 0 HB VAL A 49 4.012 -6.423 3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.393 -7.796 2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.215 -7.999 4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.057 -6.992 3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.180 -5.648 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.877 -4.754 2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.574 -4.288 2.892 1.00 0.00 H new ATOM 689 N LEU A 50 1.433 -6.672 6.902 1.00 0.00 N ATOM 690 CA LEU A 50 1.317 -7.620 8.004 1.00 0.00 C ATOM 691 C LEU A 50 0.563 -8.873 7.568 1.00 0.00 C ATOM 692 O LEU A 50 -0.270 -8.825 6.665 1.00 0.00 O ATOM 693 CB LEU A 50 0.605 -6.969 9.191 1.00 0.00 C ATOM 694 CG LEU A 50 1.444 -6.007 10.031 1.00 0.00 C ATOM 695 CD1 LEU A 50 2.475 -6.769 10.848 1.00 0.00 C ATOM 696 CD2 LEU A 50 2.122 -4.975 9.142 1.00 0.00 C ATOM 0 H LEU A 50 0.547 -6.268 6.598 1.00 0.00 H new ATOM 0 HA LEU A 50 2.323 -7.911 8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.264 -6.429 8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.232 -7.759 9.843 1.00 0.00 H new ATOM 0 HG LEU A 50 0.780 -5.484 10.720 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.062 -6.066 11.439 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.968 -7.468 11.513 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.135 -7.320 10.178 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.715 -4.298 9.757 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.772 -5.481 8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.365 -4.406 8.603 1.00 0.00 H new ATOM 708 N GLY A 51 0.861 -9.993 8.219 1.00 0.00 N ATOM 709 CA GLY A 51 0.201 -11.242 7.885 1.00 0.00 C ATOM 710 C GLY A 51 -0.941 -11.564 8.828 1.00 0.00 C ATOM 711 O GLY A 51 -1.106 -10.935 9.874 1.00 0.00 O ATOM 0 H GLY A 51 1.547 -10.058 8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.179 -11.187 6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.929 -12.053 7.911 1.00 0.00 H new ATOM 715 N PRO A 52 -1.754 -12.565 8.459 1.00 0.00 N ATOM 716 CA PRO A 52 -2.902 -12.990 9.265 1.00 0.00 C ATOM 717 C PRO A 52 -2.478 -13.681 10.557 1.00 0.00 C ATOM 718 O PRO A 52 -3.021 -13.405 11.627 1.00 0.00 O ATOM 719 CB PRO A 52 -3.635 -13.973 8.349 1.00 0.00 C ATOM 720 CG PRO A 52 -2.582 -14.491 7.430 1.00 0.00 C ATOM 721 CD PRO A 52 -1.616 -13.357 7.226 1.00 0.00 C ATOM 0 HA PRO A 52 -3.513 -12.145 9.581 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.094 -14.780 8.920 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.434 -13.479 7.797 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.081 -15.358 7.860 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.014 -14.811 6.482 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.596 -13.717 7.092 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.866 -12.771 6.342 1.00 0.00 H new ATOM 729 N ARG A 53 -1.504 -14.580 10.451 1.00 0.00 N ATOM 730 CA ARG A 53 -1.009 -15.310 11.611 1.00 0.00 C ATOM 731 C ARG A 53 -0.068 -14.441 12.440 1.00 0.00 C ATOM 732 O ARG A 53 0.032 -14.601 13.655 1.00 0.00 O ATOM 733 CB ARG A 53 -0.286 -16.583 11.167 1.00 0.00 C ATOM 734 CG ARG A 53 -1.017 -17.351 10.078 1.00 0.00 C ATOM 735 CD ARG A 53 -0.378 -17.130 8.715 1.00 0.00 C ATOM 736 NE ARG A 53 -1.132 -17.778 7.645 1.00 0.00 N ATOM 737 CZ ARG A 53 -1.114 -19.087 7.423 1.00 0.00 C ATOM 738 NH1 ARG A 53 -0.384 -19.884 8.192 1.00 0.00 N ATOM 739 NH2 ARG A 53 -1.827 -19.602 6.429 1.00 0.00 N ATOM 0 H ARG A 53 -1.043 -14.820 9.573 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.864 -15.582 12.230 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.709 -16.319 10.808 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.151 -17.234 12.031 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.012 -18.415 10.315 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.060 -17.037 10.047 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.311 -16.061 8.515 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.641 -17.516 8.726 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.703 -17.193 7.035 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.166 -19.492 8.956 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.372 -20.889 8.019 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.389 -18.992 5.835 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.813 -20.608 6.259 1.00 0.00 H new ATOM 753 N GLY A 54 0.620 -13.519 11.773 1.00 0.00 N ATOM 754 CA GLY A 54 1.544 -12.638 12.463 1.00 0.00 C ATOM 755 C GLY A 54 2.870 -12.509 11.741 1.00 0.00 C ATOM 756 O GLY A 54 3.905 -12.269 12.367 1.00 0.00 O ATOM 0 H GLY A 54 0.554 -13.367 10.767 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.092 -11.651 12.566 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.718 -13.016 13.471 1.00 0.00 H new ATOM 760 N LEU A 55 2.843 -12.669 10.424 1.00 0.00 N ATOM 761 CA LEU A 55 4.054 -12.571 9.615 1.00 0.00 C ATOM 762 C LEU A 55 4.297 -11.132 9.172 1.00 0.00 C ATOM 763 O LEU A 55 3.356 -10.390 8.893 1.00 0.00 O ATOM 764 CB LEU A 55 3.950 -13.483 8.392 1.00 0.00 C ATOM 765 CG LEU A 55 5.026 -13.296 7.321 1.00 0.00 C ATOM 766 CD1 LEU A 55 6.328 -13.953 7.752 1.00 0.00 C ATOM 767 CD2 LEU A 55 4.556 -13.860 5.989 1.00 0.00 C ATOM 0 H LEU A 55 1.996 -12.867 9.892 1.00 0.00 H new ATOM 0 HA LEU A 55 4.897 -12.891 10.227 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.980 -14.518 8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.975 -13.328 7.930 1.00 0.00 H new ATOM 0 HG LEU A 55 5.206 -12.228 7.197 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.082 -13.810 6.978 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.673 -13.501 8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.164 -15.020 7.906 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.334 -13.718 5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.347 -14.924 6.098 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.650 -13.342 5.674 1.00 0.00 H new ATOM 779 N VAL A 56 5.567 -10.744 9.108 1.00 0.00 N ATOM 780 CA VAL A 56 5.935 -9.395 8.696 1.00 0.00 C ATOM 781 C VAL A 56 6.732 -9.416 7.396 1.00 0.00 C ATOM 782 O VAL A 56 7.828 -9.973 7.338 1.00 0.00 O ATOM 783 CB VAL A 56 6.762 -8.682 9.781 1.00 0.00 C ATOM 784 CG1 VAL A 56 7.173 -7.293 9.315 1.00 0.00 C ATOM 785 CG2 VAL A 56 5.980 -8.606 11.084 1.00 0.00 C ATOM 0 H VAL A 56 6.358 -11.346 9.336 1.00 0.00 H new ATOM 0 HA VAL A 56 5.006 -8.847 8.541 1.00 0.00 H new ATOM 0 HB VAL A 56 7.668 -9.261 9.960 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.757 -6.805 10.096 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.775 -7.376 8.410 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.282 -6.701 9.105 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.580 -8.099 11.839 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.056 -8.051 10.922 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.743 -9.614 11.425 1.00 0.00 H new ATOM 795 N GLU A 57 6.173 -8.805 6.356 1.00 0.00 N ATOM 796 CA GLU A 57 6.834 -8.754 5.056 1.00 0.00 C ATOM 797 C GLU A 57 7.240 -7.325 4.709 1.00 0.00 C ATOM 798 O GLU A 57 6.525 -6.363 4.990 1.00 0.00 O ATOM 799 CB GLU A 57 5.912 -9.312 3.970 1.00 0.00 C ATOM 800 CG GLU A 57 5.662 -10.806 4.092 1.00 0.00 C ATOM 801 CD GLU A 57 6.919 -11.582 4.433 1.00 0.00 C ATOM 802 OE1 GLU A 57 7.818 -11.667 3.569 1.00 0.00 O ATOM 803 OE2 GLU A 57 7.005 -12.105 5.564 1.00 0.00 O ATOM 0 H GLU A 57 5.266 -8.339 6.388 1.00 0.00 H new ATOM 0 HA GLU A 57 7.734 -9.366 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.957 -8.788 4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.348 -9.104 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.910 -10.983 4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.252 -11.180 3.154 1.00 0.00 H new ATOM 810 N PRO A 58 8.417 -7.182 4.082 1.00 0.00 N ATOM 811 CA PRO A 58 8.947 -5.875 3.682 1.00 0.00 C ATOM 812 C PRO A 58 8.153 -5.252 2.540 1.00 0.00 C ATOM 813 O PRO A 58 7.232 -5.867 2.003 1.00 0.00 O ATOM 814 CB PRO A 58 10.374 -6.195 3.229 1.00 0.00 C ATOM 815 CG PRO A 58 10.329 -7.625 2.815 1.00 0.00 C ATOM 816 CD PRO A 58 9.322 -8.285 3.715 1.00 0.00 C ATOM 0 HA PRO A 58 8.895 -5.149 4.493 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.680 -5.553 2.403 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.090 -6.039 4.036 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.038 -7.719 1.769 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.309 -8.092 2.917 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.791 -9.087 3.203 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.795 -8.725 4.593 1.00 0.00 H new ATOM 824 N VAL A 59 8.514 -4.027 2.172 1.00 0.00 N ATOM 825 CA VAL A 59 7.835 -3.322 1.091 1.00 0.00 C ATOM 826 C VAL A 59 8.815 -2.471 0.290 1.00 0.00 C ATOM 827 O VAL A 59 9.846 -2.043 0.805 1.00 0.00 O ATOM 828 CB VAL A 59 6.711 -2.418 1.632 1.00 0.00 C ATOM 829 CG1 VAL A 59 5.902 -1.830 0.485 1.00 0.00 C ATOM 830 CG2 VAL A 59 5.814 -3.196 2.582 1.00 0.00 C ATOM 0 H VAL A 59 9.273 -3.502 2.607 1.00 0.00 H new ATOM 0 HA VAL A 59 7.401 -4.081 0.440 1.00 0.00 H new ATOM 0 HB VAL A 59 7.163 -1.596 2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.112 -1.194 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.556 -1.237 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.458 -2.637 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.025 -2.542 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.368 -4.038 2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.405 -3.566 3.420 1.00 0.00 H new ATOM 840 N ASN A 60 8.483 -2.230 -0.975 1.00 0.00 N ATOM 841 CA ASN A 60 9.335 -1.430 -1.848 1.00 0.00 C ATOM 842 C ASN A 60 8.815 0.001 -1.951 1.00 0.00 C ATOM 843 O ASN A 60 7.609 0.230 -2.045 1.00 0.00 O ATOM 844 CB ASN A 60 9.406 -2.060 -3.241 1.00 0.00 C ATOM 845 CG ASN A 60 10.186 -1.207 -4.222 1.00 0.00 C ATOM 846 OD1 ASN A 60 9.471 -0.460 -5.056 1.00 0.00 O flip ATOM 847 ND2 ASN A 60 11.417 -1.218 -4.229 1.00 0.00 N flip ATOM 0 H ASN A 60 7.632 -2.577 -1.417 1.00 0.00 H new ATOM 0 HA ASN A 60 10.335 -1.405 -1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.871 -3.043 -3.169 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.395 -2.212 -3.620 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.926 -1.807 -3.570 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.928 -0.638 -4.894 1.00 0.00 H new ATOM 854 N VAL A 61 9.735 0.960 -1.932 1.00 0.00 N ATOM 855 CA VAL A 61 9.372 2.370 -2.025 1.00 0.00 C ATOM 856 C VAL A 61 10.249 3.098 -3.037 1.00 0.00 C ATOM 857 O VAL A 61 11.432 3.334 -2.794 1.00 0.00 O ATOM 858 CB VAL A 61 9.492 3.072 -0.659 1.00 0.00 C ATOM 859 CG1 VAL A 61 9.163 4.551 -0.788 1.00 0.00 C ATOM 860 CG2 VAL A 61 8.589 2.403 0.365 1.00 0.00 C ATOM 0 H VAL A 61 10.737 0.787 -1.853 1.00 0.00 H new ATOM 0 HA VAL A 61 8.334 2.408 -2.355 1.00 0.00 H new ATOM 0 HB VAL A 61 10.522 2.983 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.253 5.030 0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 61 9.856 5.018 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.143 4.666 -1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.687 2.912 1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.554 2.459 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.878 1.358 0.478 1.00 0.00 H new ATOM 870 N VAL A 62 9.659 3.453 -4.175 1.00 0.00 N ATOM 871 CA VAL A 62 10.386 4.156 -5.225 1.00 0.00 C ATOM 872 C VAL A 62 9.604 5.370 -5.716 1.00 0.00 C ATOM 873 O VAL A 62 8.422 5.268 -6.045 1.00 0.00 O ATOM 874 CB VAL A 62 10.680 3.231 -6.421 1.00 0.00 C ATOM 875 CG1 VAL A 62 11.380 3.999 -7.531 1.00 0.00 C ATOM 876 CG2 VAL A 62 11.513 2.038 -5.978 1.00 0.00 C ATOM 0 H VAL A 62 8.680 3.265 -4.393 1.00 0.00 H new ATOM 0 HA VAL A 62 11.330 4.486 -4.790 1.00 0.00 H new ATOM 0 HB VAL A 62 9.733 2.859 -6.812 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.579 3.329 -8.367 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.742 4.817 -7.866 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.321 4.402 -7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.712 1.395 -6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.457 2.388 -5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 62 10.968 1.475 -5.220 1.00 0.00 H new ATOM 886 N ASP A 63 10.272 6.517 -5.764 1.00 0.00 N ATOM 887 CA ASP A 63 9.640 7.751 -6.217 1.00 0.00 C ATOM 888 C ASP A 63 9.675 7.853 -7.738 1.00 0.00 C ATOM 889 O ASP A 63 10.706 7.611 -8.363 1.00 0.00 O ATOM 890 CB ASP A 63 10.338 8.962 -5.596 1.00 0.00 C ATOM 891 CG ASP A 63 9.507 10.226 -5.704 1.00 0.00 C ATOM 892 OD1 ASP A 63 8.628 10.284 -6.590 1.00 0.00 O ATOM 893 OD2 ASP A 63 9.736 11.158 -4.904 1.00 0.00 O ATOM 0 H ASP A 63 11.251 6.618 -5.495 1.00 0.00 H new ATOM 0 HA ASP A 63 8.598 7.737 -5.896 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.549 8.758 -4.546 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.297 9.118 -6.090 1.00 0.00 H new ATOM 898 N ASN A 64 8.539 8.211 -8.329 1.00 0.00 N ATOM 899 CA ASN A 64 8.439 8.343 -9.777 1.00 0.00 C ATOM 900 C ASN A 64 9.136 9.612 -10.257 1.00 0.00 C ATOM 901 O ASN A 64 9.867 9.594 -11.247 1.00 0.00 O ATOM 902 CB ASN A 64 6.971 8.360 -10.208 1.00 0.00 C ATOM 903 CG ASN A 64 6.299 7.013 -10.025 1.00 0.00 C ATOM 904 OD1 ASN A 64 6.052 6.640 -8.775 1.00 0.00 O flip ATOM 905 ND2 ASN A 64 6.005 6.316 -10.996 1.00 0.00 N flip ATOM 0 H ASN A 64 7.675 8.415 -7.826 1.00 0.00 H new ATOM 0 HA ASN A 64 8.934 7.484 -10.230 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.434 9.112 -9.630 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.906 8.656 -11.255 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.213 6.642 -11.940 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.553 5.412 -10.857 1.00 0.00 H new ATOM 912 N GLY A 65 8.905 10.712 -9.548 1.00 0.00 N ATOM 913 CA GLY A 65 9.519 11.975 -9.917 1.00 0.00 C ATOM 914 C GLY A 65 8.497 13.022 -10.313 1.00 0.00 C ATOM 915 O GLY A 65 8.756 14.221 -10.212 1.00 0.00 O ATOM 0 H GLY A 65 8.304 10.752 -8.725 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.110 12.347 -9.080 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.208 11.812 -10.746 1.00 0.00 H new ATOM 919 N ASP A 66 7.335 12.569 -10.769 1.00 0.00 N ATOM 920 CA ASP A 66 6.270 13.475 -11.183 1.00 0.00 C ATOM 921 C ASP A 66 5.376 13.840 -10.002 1.00 0.00 C ATOM 922 O ASP A 66 5.020 15.002 -9.817 1.00 0.00 O ATOM 923 CB ASP A 66 5.433 12.839 -12.295 1.00 0.00 C ATOM 924 CG ASP A 66 6.102 12.938 -13.652 1.00 0.00 C ATOM 925 OD1 ASP A 66 6.787 13.951 -13.902 1.00 0.00 O ATOM 926 OD2 ASP A 66 5.938 12.003 -14.463 1.00 0.00 O ATOM 0 H ASP A 66 7.106 11.579 -10.861 1.00 0.00 H new ATOM 0 HA ASP A 66 6.731 14.387 -11.562 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.254 11.790 -12.057 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.459 13.327 -12.337 1.00 0.00 H new ATOM 931 N GLY A 67 5.018 12.837 -9.206 1.00 0.00 N ATOM 932 CA GLY A 67 4.167 13.073 -8.054 1.00 0.00 C ATOM 933 C GLY A 67 3.510 11.804 -7.548 1.00 0.00 C ATOM 934 O GLY A 67 2.380 11.832 -7.058 1.00 0.00 O ATOM 0 H GLY A 67 5.302 11.866 -9.338 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.759 13.516 -7.253 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.396 13.797 -8.318 1.00 0.00 H new ATOM 938 N THR A 68 4.218 10.685 -7.668 1.00 0.00 N ATOM 939 CA THR A 68 3.696 9.399 -7.223 1.00 0.00 C ATOM 940 C THR A 68 4.816 8.496 -6.719 1.00 0.00 C ATOM 941 O THR A 68 5.991 8.861 -6.769 1.00 0.00 O ATOM 942 CB THR A 68 2.940 8.677 -8.354 1.00 0.00 C ATOM 943 OG1 THR A 68 3.839 8.372 -9.427 1.00 0.00 O ATOM 944 CG2 THR A 68 1.796 9.535 -8.873 1.00 0.00 C ATOM 0 H THR A 68 5.155 10.644 -8.070 1.00 0.00 H new ATOM 0 HA THR A 68 3.003 9.605 -6.407 1.00 0.00 H new ATOM 0 HB THR A 68 2.527 7.752 -7.953 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.351 7.912 -10.141 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.277 9.005 -9.671 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.099 9.742 -8.061 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.192 10.474 -9.259 1.00 0.00 H new ATOM 952 N HIS A 69 4.445 7.316 -6.232 1.00 0.00 N ATOM 953 CA HIS A 69 5.420 6.360 -5.720 1.00 0.00 C ATOM 954 C HIS A 69 4.984 4.927 -6.016 1.00 0.00 C ATOM 955 O HIS A 69 3.838 4.551 -5.767 1.00 0.00 O ATOM 956 CB HIS A 69 5.606 6.547 -4.214 1.00 0.00 C ATOM 957 CG HIS A 69 5.989 7.942 -3.827 1.00 0.00 C ATOM 958 ND1 HIS A 69 5.261 9.083 -3.793 1.00 0.00 N flip ATOM 959 CD2 HIS A 69 7.258 8.287 -3.414 1.00 0.00 C flip ATOM 960 CE1 HIS A 69 6.095 10.086 -3.363 1.00 0.00 C flip ATOM 961 NE2 HIS A 69 7.294 9.579 -3.142 1.00 0.00 N flip ATOM 0 H HIS A 69 3.477 6.999 -6.181 1.00 0.00 H new ATOM 0 HA HIS A 69 6.370 6.543 -6.222 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.680 6.279 -3.706 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.374 5.857 -3.863 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.093 7.607 -3.326 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.816 11.120 -3.228 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.110 10.097 -2.816 1.00 0.00 H new ATOM 970 N THR A 70 5.904 4.132 -6.552 1.00 0.00 N ATOM 971 CA THR A 70 5.615 2.743 -6.885 1.00 0.00 C ATOM 972 C THR A 70 5.985 1.814 -5.734 1.00 0.00 C ATOM 973 O THR A 70 7.054 1.941 -5.139 1.00 0.00 O ATOM 974 CB THR A 70 6.371 2.300 -8.151 1.00 0.00 C ATOM 975 OG1 THR A 70 5.854 2.986 -9.297 1.00 0.00 O ATOM 976 CG2 THR A 70 6.250 0.797 -8.355 1.00 0.00 C ATOM 0 H THR A 70 6.857 4.427 -6.765 1.00 0.00 H new ATOM 0 HA THR A 70 4.543 2.678 -7.070 1.00 0.00 H new ATOM 0 HB THR A 70 7.424 2.550 -8.024 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.342 2.700 -10.097 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.792 0.507 -9.255 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.672 0.278 -7.495 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.199 0.528 -8.462 1.00 0.00 H new ATOM 984 N VAL A 71 5.091 0.879 -5.425 1.00 0.00 N ATOM 985 CA VAL A 71 5.324 -0.074 -4.346 1.00 0.00 C ATOM 986 C VAL A 71 5.079 -1.504 -4.813 1.00 0.00 C ATOM 987 O VAL A 71 3.936 -1.921 -5.000 1.00 0.00 O ATOM 988 CB VAL A 71 4.422 0.221 -3.133 1.00 0.00 C ATOM 989 CG1 VAL A 71 4.768 -0.702 -1.974 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.547 1.678 -2.718 1.00 0.00 C ATOM 0 H VAL A 71 4.199 0.762 -5.906 1.00 0.00 H new ATOM 0 HA VAL A 71 6.367 0.033 -4.048 1.00 0.00 H new ATOM 0 HB VAL A 71 3.387 0.036 -3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.121 -0.479 -1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.623 -1.739 -2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.808 -0.550 -1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.903 1.868 -1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.582 1.892 -2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.246 2.319 -3.546 1.00 0.00 H new ATOM 1000 N THR A 72 6.161 -2.253 -4.999 1.00 0.00 N ATOM 1001 CA THR A 72 6.065 -3.638 -5.444 1.00 0.00 C ATOM 1002 C THR A 72 6.300 -4.605 -4.290 1.00 0.00 C ATOM 1003 O THR A 72 7.159 -4.374 -3.439 1.00 0.00 O ATOM 1004 CB THR A 72 7.077 -3.938 -6.566 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.410 -3.711 -6.097 1.00 0.00 O ATOM 1006 CG2 THR A 72 6.808 -3.070 -7.785 1.00 0.00 C ATOM 0 H THR A 72 7.115 -1.924 -4.848 1.00 0.00 H new ATOM 0 HA THR A 72 5.055 -3.777 -5.829 1.00 0.00 H new ATOM 0 HB THR A 72 6.967 -4.984 -6.854 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.047 -3.906 -6.816 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.535 -3.300 -8.563 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.803 -3.268 -8.158 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.892 -2.019 -7.509 1.00 0.00 H new ATOM 1014 N TYR A 73 5.533 -5.689 -4.267 1.00 0.00 N ATOM 1015 CA TYR A 73 5.657 -6.691 -3.215 1.00 0.00 C ATOM 1016 C TYR A 73 5.127 -8.042 -3.686 1.00 0.00 C ATOM 1017 O TYR A 73 4.737 -8.202 -4.843 1.00 0.00 O ATOM 1018 CB TYR A 73 4.903 -6.242 -1.963 1.00 0.00 C ATOM 1019 CG TYR A 73 3.412 -6.480 -2.037 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.571 -5.560 -2.651 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.842 -7.624 -1.490 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.208 -5.772 -2.720 1.00 0.00 C ATOM 1023 CE2 TYR A 73 1.481 -7.845 -1.556 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.668 -6.916 -2.171 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.690 -7.132 -2.238 1.00 0.00 O ATOM 0 H TYR A 73 4.819 -5.896 -4.965 1.00 0.00 H new ATOM 0 HA TYR A 73 6.714 -6.800 -2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.304 -6.770 -1.098 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.085 -5.180 -1.800 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.991 -4.663 -3.082 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.475 -8.352 -1.005 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.569 -5.046 -3.201 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.055 -8.741 -1.128 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.907 -7.984 -1.805 1.00 0.00 H new ATOM 1035 N THR A 74 5.115 -9.014 -2.777 1.00 0.00 N ATOM 1036 CA THR A 74 4.634 -10.352 -3.097 1.00 0.00 C ATOM 1037 C THR A 74 4.180 -11.087 -1.840 1.00 0.00 C ATOM 1038 O THR A 74 4.981 -11.435 -0.972 1.00 0.00 O ATOM 1039 CB THR A 74 5.720 -11.186 -3.802 1.00 0.00 C ATOM 1040 OG1 THR A 74 6.089 -10.564 -5.038 1.00 0.00 O ATOM 1041 CG2 THR A 74 5.228 -12.601 -4.068 1.00 0.00 C ATOM 0 H THR A 74 5.433 -8.899 -1.815 1.00 0.00 H new ATOM 0 HA THR A 74 3.786 -10.231 -3.771 1.00 0.00 H new ATOM 0 HB THR A 74 6.590 -11.238 -3.147 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.553 -9.754 -5.170 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.012 -13.171 -4.567 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.975 -13.082 -3.123 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.344 -12.565 -4.705 1.00 0.00 H new ATOM 1049 N PRO A 75 2.865 -11.333 -1.739 1.00 0.00 N ATOM 1050 CA PRO A 75 2.276 -12.031 -0.593 1.00 0.00 C ATOM 1051 C PRO A 75 2.653 -13.507 -0.557 1.00 0.00 C ATOM 1052 O PRO A 75 1.958 -14.349 -1.126 1.00 0.00 O ATOM 1053 CB PRO A 75 0.771 -11.869 -0.815 1.00 0.00 C ATOM 1054 CG PRO A 75 0.622 -11.684 -2.286 1.00 0.00 C ATOM 1055 CD PRO A 75 1.853 -10.947 -2.737 1.00 0.00 C ATOM 0 HA PRO A 75 2.627 -11.625 0.356 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.223 -12.746 -0.469 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.380 -11.012 -0.267 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.534 -12.645 -2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.280 -11.117 -2.519 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.150 -11.239 -3.744 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.693 -9.869 -2.752 1.00 0.00 H new ATOM 1063 N SER A 76 3.759 -13.816 0.115 1.00 0.00 N ATOM 1064 CA SER A 76 4.229 -15.190 0.222 1.00 0.00 C ATOM 1065 C SER A 76 3.056 -16.165 0.275 1.00 0.00 C ATOM 1066 O SER A 76 2.947 -17.067 -0.554 1.00 0.00 O ATOM 1067 CB SER A 76 5.103 -15.358 1.466 1.00 0.00 C ATOM 1068 OG SER A 76 6.375 -14.762 1.281 1.00 0.00 O ATOM 0 H SER A 76 4.345 -13.132 0.593 1.00 0.00 H new ATOM 0 HA SER A 76 4.824 -15.413 -0.664 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.608 -14.906 2.326 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.224 -16.418 1.689 1.00 0.00 H new ATOM 0 HG SER A 76 6.913 -14.882 2.091 1.00 0.00 H new ATOM 1074 N GLN A 77 2.183 -15.975 1.259 1.00 0.00 N ATOM 1075 CA GLN A 77 1.017 -16.836 1.421 1.00 0.00 C ATOM 1076 C GLN A 77 -0.274 -16.035 1.294 1.00 0.00 C ATOM 1077 O GLN A 77 -0.259 -14.805 1.332 1.00 0.00 O ATOM 1078 CB GLN A 77 1.063 -17.540 2.779 1.00 0.00 C ATOM 1079 CG GLN A 77 0.993 -16.587 3.961 1.00 0.00 C ATOM 1080 CD GLN A 77 1.697 -17.129 5.190 1.00 0.00 C ATOM 1081 OE1 GLN A 77 2.367 -18.160 5.132 1.00 0.00 O ATOM 1082 NE2 GLN A 77 1.549 -16.435 6.311 1.00 0.00 N ATOM 0 H GLN A 77 2.261 -15.234 1.955 1.00 0.00 H new ATOM 0 HA GLN A 77 1.037 -17.585 0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.234 -18.245 2.842 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.982 -18.122 2.846 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.441 -15.634 3.681 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.051 -16.390 4.203 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.984 -15.585 6.314 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.000 -16.751 7.170 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.390 -16.741 1.143 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.690 -16.094 1.009 1.00 0.00 C ATOM 1093 C GLU A 78 -3.290 -15.789 2.378 1.00 0.00 C ATOM 1094 O GLU A 78 -2.759 -16.205 3.407 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.646 -16.981 0.208 1.00 0.00 C ATOM 1096 CG GLU A 78 -3.964 -18.302 0.888 1.00 0.00 C ATOM 1097 CD GLU A 78 -5.347 -18.818 0.543 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -6.321 -18.054 0.703 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -5.456 -19.986 0.114 1.00 0.00 O ATOM 0 H GLU A 78 -1.420 -17.760 1.110 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.546 -15.154 0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.575 -16.437 0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.209 -17.181 -0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.221 -19.044 0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.885 -18.178 1.968 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.400 -15.057 2.383 1.00 0.00 N ATOM 1107 CA GLY A 79 -5.054 -14.707 3.630 1.00 0.00 C ATOM 1108 C GLY A 79 -5.316 -13.219 3.749 1.00 0.00 C ATOM 1109 O GLY A 79 -4.899 -12.424 2.907 1.00 0.00 O ATOM 0 H GLY A 79 -4.858 -14.700 1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.998 -15.246 3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.434 -15.032 4.466 1.00 0.00 H new ATOM 1113 N PRO A 80 -6.026 -12.824 4.816 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.360 -11.419 5.067 1.00 0.00 C ATOM 1115 C PRO A 80 -5.138 -10.591 5.450 1.00 0.00 C ATOM 1116 O PRO A 80 -4.804 -10.467 6.628 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.344 -11.492 6.238 1.00 0.00 C ATOM 1118 CG PRO A 80 -7.010 -12.766 6.934 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.554 -13.716 5.861 1.00 0.00 C ATOM 0 HA PRO A 80 -6.766 -10.933 4.180 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.232 -10.636 6.903 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.376 -11.491 5.888 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.227 -12.611 7.677 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.878 -13.161 7.462 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.789 -14.400 6.229 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.377 -14.327 5.489 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.476 -10.024 4.447 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.289 -9.210 4.679 1.00 0.00 C ATOM 1129 C TYR A 81 -3.671 -7.762 4.973 1.00 0.00 C ATOM 1130 O TYR A 81 -4.800 -7.343 4.717 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.360 -9.267 3.465 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.324 -10.365 3.546 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.697 -11.681 3.788 1.00 0.00 C ATOM 1134 CD2 TYR A 81 0.026 -10.086 3.381 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -0.753 -12.688 3.864 1.00 0.00 C ATOM 1136 CE2 TYR A 81 0.977 -11.086 3.454 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.582 -12.385 3.696 1.00 0.00 C ATOM 1138 OH TYR A 81 1.525 -13.384 3.770 1.00 0.00 O ATOM 0 H TYR A 81 -4.741 -10.113 3.466 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.767 -9.613 5.547 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.959 -9.410 2.566 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.853 -8.308 3.361 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.742 -11.921 3.919 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.338 -9.070 3.192 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.059 -13.706 4.054 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.023 -10.852 3.322 1.00 0.00 H new ATOM 0 HH TYR A 81 2.417 -13.003 3.628 1.00 0.00 H new ATOM 1148 N MET A 82 -2.722 -7.004 5.511 1.00 0.00 N ATOM 1149 CA MET A 82 -2.958 -5.603 5.839 1.00 0.00 C ATOM 1150 C MET A 82 -1.767 -4.742 5.431 1.00 0.00 C ATOM 1151 O MET A 82 -0.652 -4.933 5.919 1.00 0.00 O ATOM 1152 CB MET A 82 -3.226 -5.445 7.336 1.00 0.00 C ATOM 1153 CG MET A 82 -3.537 -4.016 7.752 1.00 0.00 C ATOM 1154 SD MET A 82 -4.379 -3.923 9.343 1.00 0.00 S ATOM 1155 CE MET A 82 -2.999 -4.109 10.468 1.00 0.00 C ATOM 0 H MET A 82 -1.783 -7.336 5.729 1.00 0.00 H new ATOM 0 HA MET A 82 -3.834 -5.269 5.283 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.062 -6.086 7.616 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.356 -5.795 7.891 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.609 -3.446 7.803 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.158 -3.547 6.989 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.360 -4.072 11.496 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.510 -5.067 10.289 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.285 -3.301 10.305 1.00 0.00 H new ATOM 1165 N VAL A 83 -2.008 -3.792 4.533 1.00 0.00 N ATOM 1166 CA VAL A 83 -0.956 -2.901 4.060 1.00 0.00 C ATOM 1167 C VAL A 83 -1.095 -1.511 4.674 1.00 0.00 C ATOM 1168 O VAL A 83 -1.851 -0.676 4.178 1.00 0.00 O ATOM 1169 CB VAL A 83 -0.973 -2.776 2.525 1.00 0.00 C ATOM 1170 CG1 VAL A 83 0.082 -1.785 2.058 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -0.762 -4.136 1.878 1.00 0.00 C ATOM 0 H VAL A 83 -2.924 -3.620 4.118 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.008 -3.339 4.371 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.950 -2.401 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.055 -1.710 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.119 -0.807 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.068 -2.127 2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.777 -4.029 0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.201 -4.542 2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.558 -4.813 2.187 1.00 0.00 H new ATOM 1181 N SER A 84 -0.360 -1.272 5.755 1.00 0.00 N ATOM 1182 CA SER A 84 -0.404 0.015 6.438 1.00 0.00 C ATOM 1183 C SER A 84 0.469 1.041 5.721 1.00 0.00 C ATOM 1184 O SER A 84 1.536 0.712 5.203 1.00 0.00 O ATOM 1185 CB SER A 84 0.058 -0.138 7.890 1.00 0.00 C ATOM 1186 OG SER A 84 -0.006 1.098 8.578 1.00 0.00 O ATOM 0 H SER A 84 0.273 -1.952 6.176 1.00 0.00 H new ATOM 0 HA SER A 84 -1.435 0.369 6.427 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.566 -0.873 8.398 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.080 -0.517 7.912 1.00 0.00 H new ATOM 0 HG SER A 84 0.292 0.973 9.503 1.00 0.00 H new ATOM 1192 N VAL A 85 0.006 2.287 5.696 1.00 0.00 N ATOM 1193 CA VAL A 85 0.742 3.363 5.044 1.00 0.00 C ATOM 1194 C VAL A 85 0.686 4.645 5.867 1.00 0.00 C ATOM 1195 O VAL A 85 -0.335 4.959 6.480 1.00 0.00 O ATOM 1196 CB VAL A 85 0.191 3.646 3.634 1.00 0.00 C ATOM 1197 CG1 VAL A 85 0.890 4.849 3.018 1.00 0.00 C ATOM 1198 CG2 VAL A 85 0.341 2.420 2.747 1.00 0.00 C ATOM 0 H VAL A 85 -0.876 2.576 6.120 1.00 0.00 H new ATOM 0 HA VAL A 85 1.778 3.033 4.962 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.871 3.877 3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.487 5.033 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.725 5.726 3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.959 4.651 2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.054 2.638 1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.395 2.155 2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.211 1.587 3.182 1.00 0.00 H new ATOM 1208 N LYS A 86 1.790 5.385 5.876 1.00 0.00 N ATOM 1209 CA LYS A 86 1.867 6.634 6.622 1.00 0.00 C ATOM 1210 C LYS A 86 2.393 7.763 5.740 1.00 0.00 C ATOM 1211 O LYS A 86 2.886 7.524 4.638 1.00 0.00 O ATOM 1212 CB LYS A 86 2.772 6.467 7.845 1.00 0.00 C ATOM 1213 CG LYS A 86 2.354 7.319 9.031 1.00 0.00 C ATOM 1214 CD LYS A 86 3.233 7.056 10.243 1.00 0.00 C ATOM 1215 CE LYS A 86 2.722 7.794 11.472 1.00 0.00 C ATOM 1216 NZ LYS A 86 1.786 6.958 12.273 1.00 0.00 N ATOM 0 H LYS A 86 2.644 5.140 5.374 1.00 0.00 H new ATOM 0 HA LYS A 86 0.861 6.892 6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.775 5.419 8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.795 6.722 7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.411 8.373 8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.314 7.110 9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.264 5.986 10.446 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.255 7.369 10.028 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.566 8.091 12.094 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.217 8.709 11.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.751 7.314 13.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.835 7.003 11.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.117 5.972 12.276 1.00 0.00 H new ATOM 1230 N TYR A 87 2.283 8.992 6.232 1.00 0.00 N ATOM 1231 CA TYR A 87 2.747 10.157 5.487 1.00 0.00 C ATOM 1232 C TYR A 87 3.108 11.299 6.433 1.00 0.00 C ATOM 1233 O TYR A 87 2.245 11.849 7.118 1.00 0.00 O ATOM 1234 CB TYR A 87 1.672 10.618 4.500 1.00 0.00 C ATOM 1235 CG TYR A 87 2.231 11.291 3.268 1.00 0.00 C ATOM 1236 CD1 TYR A 87 2.829 10.549 2.257 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.162 12.670 3.113 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.342 11.160 1.129 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.671 13.289 1.989 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.261 12.530 0.999 1.00 0.00 C ATOM 1241 OH TYR A 87 3.770 13.144 -0.122 1.00 0.00 O ATOM 0 H TYR A 87 1.877 9.207 7.143 1.00 0.00 H new ATOM 0 HA TYR A 87 3.641 9.871 4.933 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.077 9.757 4.195 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.997 11.308 5.007 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.894 9.475 2.355 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.702 13.268 3.886 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.804 10.567 0.353 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.608 14.362 1.885 1.00 0.00 H new ATOM 0 HH TYR A 87 4.740 13.246 -0.027 1.00 0.00 H new ATOM 1251 N ALA A 88 4.389 11.651 6.462 1.00 0.00 N ATOM 1252 CA ALA A 88 4.865 12.729 7.320 1.00 0.00 C ATOM 1253 C ALA A 88 4.578 12.431 8.787 1.00 0.00 C ATOM 1254 O ALA A 88 4.268 13.333 9.566 1.00 0.00 O ATOM 1255 CB ALA A 88 4.226 14.049 6.913 1.00 0.00 C ATOM 0 H ALA A 88 5.116 11.206 5.901 1.00 0.00 H new ATOM 0 HA ALA A 88 5.945 12.807 7.197 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.591 14.845 7.562 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.487 14.276 5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.143 13.973 7.006 1.00 0.00 H new ATOM 1261 N ASP A 89 4.682 11.159 9.159 1.00 0.00 N ATOM 1262 CA ASP A 89 4.434 10.742 10.534 1.00 0.00 C ATOM 1263 C ASP A 89 2.958 10.891 10.889 1.00 0.00 C ATOM 1264 O ASP A 89 2.614 11.230 12.021 1.00 0.00 O ATOM 1265 CB ASP A 89 5.290 11.561 11.501 1.00 0.00 C ATOM 1266 CG ASP A 89 6.748 11.605 11.088 1.00 0.00 C ATOM 1267 OD1 ASP A 89 7.028 12.010 9.940 1.00 0.00 O ATOM 1268 OD2 ASP A 89 7.610 11.237 11.914 1.00 0.00 O ATOM 0 H ASP A 89 4.936 10.400 8.527 1.00 0.00 H new ATOM 0 HA ASP A 89 4.706 9.690 10.623 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.900 12.577 11.556 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.211 11.135 12.501 1.00 0.00 H new ATOM 1273 N GLU A 90 2.091 10.639 9.914 1.00 0.00 N ATOM 1274 CA GLU A 90 0.653 10.748 10.124 1.00 0.00 C ATOM 1275 C GLU A 90 -0.101 9.732 9.271 1.00 0.00 C ATOM 1276 O GLU A 90 -0.232 9.900 8.059 1.00 0.00 O ATOM 1277 CB GLU A 90 0.172 12.163 9.794 1.00 0.00 C ATOM 1278 CG GLU A 90 0.741 13.229 10.715 1.00 0.00 C ATOM 1279 CD GLU A 90 -0.047 14.523 10.667 1.00 0.00 C ATOM 1280 OE1 GLU A 90 -1.294 14.460 10.695 1.00 0.00 O ATOM 1281 OE2 GLU A 90 0.583 15.600 10.604 1.00 0.00 O ATOM 0 H GLU A 90 2.360 10.358 8.971 1.00 0.00 H new ATOM 0 HA GLU A 90 0.449 10.538 11.174 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.445 12.400 8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.916 12.190 9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.751 12.852 11.738 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.776 13.428 10.438 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.595 8.678 9.914 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.333 7.634 9.214 1.00 0.00 C ATOM 1290 C GLU A 91 -2.432 8.236 8.343 1.00 0.00 C ATOM 1291 O GLU A 91 -3.331 8.915 8.841 1.00 0.00 O ATOM 1292 CB GLU A 91 -1.941 6.649 10.214 1.00 0.00 C ATOM 1293 CG GLU A 91 -1.065 5.438 10.486 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.235 4.899 11.894 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -0.947 5.645 12.853 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -1.654 3.732 12.034 1.00 0.00 O ATOM 0 H GLU A 91 -0.497 8.525 10.918 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.634 7.100 8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.130 7.168 11.153 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.906 6.311 9.837 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.304 4.653 9.769 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.021 5.707 10.327 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.355 7.982 7.041 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.342 8.498 6.102 1.00 0.00 C ATOM 1305 C ILE A 92 -4.745 8.020 6.462 1.00 0.00 C ATOM 1306 O ILE A 92 -4.931 6.974 7.084 1.00 0.00 O ATOM 1307 CB ILE A 92 -3.022 8.071 4.658 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -2.961 6.545 4.554 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.710 8.691 4.200 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -2.803 6.041 3.137 1.00 0.00 C ATOM 0 H ILE A 92 -1.618 7.421 6.613 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.302 9.585 6.168 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.818 8.429 4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.128 6.181 5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.871 6.123 4.982 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.498 8.379 3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.788 9.778 4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.903 8.361 4.855 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.767 4.952 3.140 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.649 6.374 2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.879 6.433 2.712 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.757 8.803 6.061 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.162 8.479 6.328 1.00 0.00 C ATOM 1324 C PRO A 93 -7.644 7.277 5.523 1.00 0.00 C ATOM 1325 O PRO A 93 -8.825 6.934 5.549 1.00 0.00 O ATOM 1326 CB PRO A 93 -7.906 9.745 5.895 1.00 0.00 C ATOM 1327 CG PRO A 93 -7.015 10.382 4.887 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.609 10.064 5.316 1.00 0.00 C ATOM 0 HA PRO A 93 -7.326 8.206 7.371 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.880 9.505 5.467 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.084 10.408 6.741 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.215 9.994 3.888 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.177 11.459 4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.944 9.949 4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.191 10.853 5.941 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.720 6.641 4.810 1.00 0.00 N ATOM 1337 CA ARG A 94 -7.052 5.476 3.997 1.00 0.00 C ATOM 1338 C ARG A 94 -6.264 4.252 4.454 1.00 0.00 C ATOM 1339 O ARG A 94 -6.290 3.207 3.805 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.762 5.760 2.521 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.583 6.904 1.949 1.00 0.00 C ATOM 1342 CD ARG A 94 -8.978 6.445 1.553 1.00 0.00 C ATOM 1343 NE ARG A 94 -9.806 7.552 1.086 1.00 0.00 N ATOM 1344 CZ ARG A 94 -11.105 7.442 0.829 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -11.720 6.278 0.994 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -11.791 8.496 0.407 1.00 0.00 N ATOM 0 H ARG A 94 -5.737 6.912 4.779 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.115 5.269 4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.703 5.990 2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.957 4.858 1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.657 7.704 2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.074 7.319 1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.903 5.692 0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.459 5.968 2.407 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.363 8.461 0.949 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.196 5.466 1.319 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.717 6.196 0.796 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.321 9.392 0.279 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.788 8.410 0.210 1.00 0.00 H new ATOM 1360 N SER A 95 -5.565 4.389 5.577 1.00 0.00 N ATOM 1361 CA SER A 95 -4.768 3.296 6.118 1.00 0.00 C ATOM 1362 C SER A 95 -5.215 2.947 7.535 1.00 0.00 C ATOM 1363 O SER A 95 -5.755 3.779 8.265 1.00 0.00 O ATOM 1364 CB SER A 95 -3.284 3.670 6.119 1.00 0.00 C ATOM 1365 OG SER A 95 -2.603 3.058 7.200 1.00 0.00 O ATOM 0 H SER A 95 -5.535 5.246 6.129 1.00 0.00 H new ATOM 0 HA SER A 95 -4.916 2.423 5.482 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.828 3.363 5.178 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.179 4.753 6.186 1.00 0.00 H new ATOM 0 HG SER A 95 -1.971 3.696 7.592 1.00 0.00 H new ATOM 1371 N PRO A 96 -4.985 1.688 7.934 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.344 0.690 7.074 1.00 0.00 C ATOM 1373 C PRO A 96 -5.237 0.263 5.914 1.00 0.00 C ATOM 1374 O PRO A 96 -6.376 0.716 5.795 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.096 -0.488 8.020 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.126 -0.339 9.088 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.336 1.140 9.256 1.00 0.00 C ATOM 0 HA PRO A 96 -3.438 1.077 6.607 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.199 -1.441 7.501 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.088 -0.458 8.435 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.055 -0.836 8.807 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.791 -0.794 10.020 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.366 1.371 9.526 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.701 1.549 10.042 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.714 -0.610 5.060 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.465 -1.098 3.910 1.00 0.00 C ATOM 1387 C PHE A 97 -5.732 -2.596 4.029 1.00 0.00 C ATOM 1388 O PHE A 97 -4.814 -3.387 4.247 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.701 -0.806 2.615 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.646 0.654 2.269 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -3.788 1.508 2.944 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -5.449 1.174 1.268 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -3.735 2.852 2.628 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -5.401 2.517 0.946 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.542 3.357 1.627 1.00 0.00 C ATOM 0 H PHE A 97 -3.773 -0.994 5.143 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.422 -0.578 3.886 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.684 -1.188 2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.171 -1.348 1.795 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.153 1.118 3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.122 0.521 0.732 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.063 3.507 3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.034 2.909 0.163 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.501 4.407 1.377 1.00 0.00 H new ATOM 1405 N LYS A 98 -6.996 -2.977 3.883 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.387 -4.380 3.974 1.00 0.00 C ATOM 1407 C LYS A 98 -7.272 -5.065 2.616 1.00 0.00 C ATOM 1408 O LYS A 98 -8.050 -4.790 1.703 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.821 -4.498 4.498 1.00 0.00 C ATOM 1410 CG LYS A 98 -9.849 -3.812 3.614 1.00 0.00 C ATOM 1411 CD LYS A 98 -11.035 -3.315 4.424 1.00 0.00 C ATOM 1412 CE LYS A 98 -10.701 -2.036 5.176 1.00 0.00 C ATOM 1413 NZ LYS A 98 -11.794 -1.639 6.107 1.00 0.00 N ATOM 0 H LYS A 98 -7.767 -2.335 3.701 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.711 -4.876 4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.080 -5.553 4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.870 -4.069 5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.384 -2.974 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.195 -4.507 2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.881 -3.137 3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.341 -4.085 5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.778 -2.176 5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.521 -1.232 4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.528 -0.763 6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.669 -1.481 5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.949 -2.396 6.804 1.00 0.00 H new ATOM 1427 N VAL A 99 -6.297 -5.960 2.491 1.00 0.00 N ATOM 1428 CA VAL A 99 -6.083 -6.687 1.246 1.00 0.00 C ATOM 1429 C VAL A 99 -6.096 -8.193 1.479 1.00 0.00 C ATOM 1430 O VAL A 99 -5.115 -8.769 1.950 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.746 -6.293 0.589 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -4.511 -7.107 -0.674 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.721 -4.802 0.286 1.00 0.00 C ATOM 0 H VAL A 99 -5.643 -6.199 3.237 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.902 -6.418 0.578 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.939 -6.512 1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.562 -6.815 -1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.482 -8.167 -0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.320 -6.923 -1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.770 -4.541 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.536 -4.555 -0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.839 -4.240 1.213 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.215 -8.828 1.147 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.358 -10.269 1.318 1.00 0.00 C ATOM 1445 C LYS A 100 -6.749 -11.020 0.139 1.00 0.00 C ATOM 1446 O LYS A 100 -7.336 -11.083 -0.942 1.00 0.00 O ATOM 1447 CB LYS A 100 -8.835 -10.641 1.464 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.077 -12.137 1.576 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.489 -12.507 1.151 1.00 0.00 C ATOM 1450 CE LYS A 100 -10.855 -13.913 1.598 1.00 0.00 C ATOM 1451 NZ LYS A 100 -12.322 -14.068 1.796 1.00 0.00 N ATOM 0 H LYS A 100 -8.037 -8.367 0.757 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.825 -10.557 2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.239 -10.149 2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.385 -10.256 0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.358 -12.670 0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.910 -12.458 2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.196 -11.794 1.574 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.574 -12.435 0.067 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.511 -14.632 0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.337 -14.145 2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.530 -15.040 2.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -12.647 -13.400 2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.816 -13.872 0.902 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.567 -11.590 0.353 1.00 0.00 N ATOM 1466 CA VAL A 101 -4.879 -12.339 -0.691 1.00 0.00 C ATOM 1467 C VAL A 101 -5.595 -13.652 -0.988 1.00 0.00 C ATOM 1468 O VAL A 101 -6.131 -14.298 -0.086 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.420 -12.640 -0.298 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.723 -13.427 -1.397 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.672 -11.350 0.003 1.00 0.00 C ATOM 0 H VAL A 101 -5.066 -11.547 1.241 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.885 -11.715 -1.584 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.423 -13.249 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.694 -13.630 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.247 -14.369 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.728 -12.846 -2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.643 -11.582 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.676 -10.712 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.160 -10.830 0.827 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.600 -14.042 -2.258 1.00 0.00 N ATOM 1482 CA LEU A 102 -6.251 -15.279 -2.676 1.00 0.00 C ATOM 1483 C LEU A 102 -5.222 -16.304 -3.145 1.00 0.00 C ATOM 1484 O LEU A 102 -4.115 -15.962 -3.563 1.00 0.00 O ATOM 1485 CB LEU A 102 -7.254 -14.999 -3.795 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.577 -14.363 -3.366 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -9.354 -13.877 -4.580 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.407 -15.350 -2.560 1.00 0.00 C ATOM 0 H LEU A 102 -5.161 -13.520 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.781 -15.689 -1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.779 -14.344 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.473 -15.938 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.356 -13.503 -2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.292 -13.427 -4.255 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.763 -13.135 -5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.564 -14.720 -5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.345 -14.880 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.618 -16.229 -3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.854 -15.649 -1.670 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.594 -17.591 -3.077 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.719 -18.691 -3.493 1.00 0.00 C ATOM 1502 C PRO A 103 -4.514 -18.728 -5.004 1.00 0.00 C ATOM 1503 O PRO A 103 -5.472 -18.846 -5.768 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.471 -19.939 -3.024 1.00 0.00 C ATOM 1505 CG PRO A 103 -6.901 -19.524 -2.976 1.00 0.00 C ATOM 1506 CD PRO A 103 -6.898 -18.071 -2.589 1.00 0.00 C ATOM 0 HA PRO A 103 -3.718 -18.597 -3.073 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.323 -20.772 -3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.121 -20.268 -2.045 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.382 -19.669 -3.943 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.456 -20.120 -2.251 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.724 -17.530 -3.051 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.996 -17.942 -1.511 1.00 0.00 H new ATOM 1514 N THR A 104 -3.257 -18.629 -5.428 1.00 0.00 N ATOM 1515 CA THR A 104 -2.927 -18.651 -6.847 1.00 0.00 C ATOM 1516 C THR A 104 -3.854 -19.588 -7.614 1.00 0.00 C ATOM 1517 O THR A 104 -4.163 -19.352 -8.782 1.00 0.00 O ATOM 1518 CB THR A 104 -1.468 -19.090 -7.077 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.572 -18.094 -6.574 1.00 0.00 O ATOM 1520 CG2 THR A 104 -1.199 -19.320 -8.556 1.00 0.00 C ATOM 0 H THR A 104 -2.452 -18.533 -4.809 1.00 0.00 H new ATOM 0 HA THR A 104 -3.056 -17.634 -7.217 1.00 0.00 H new ATOM 0 HB THR A 104 -1.306 -20.027 -6.544 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.028 -17.558 -5.893 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.163 -19.629 -8.694 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.863 -20.100 -8.930 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.378 -18.396 -9.106 1.00 0.00 H new ATOM 1528 N TYR A 105 -4.296 -20.650 -6.949 1.00 0.00 N ATOM 1529 CA TYR A 105 -5.187 -21.623 -7.569 1.00 0.00 C ATOM 1530 C TYR A 105 -6.587 -21.542 -6.966 1.00 0.00 C ATOM 1531 O TYR A 105 -6.774 -21.002 -5.875 1.00 0.00 O ATOM 1532 CB TYR A 105 -4.629 -23.037 -7.401 1.00 0.00 C ATOM 1533 CG TYR A 105 -3.577 -23.399 -8.424 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -2.410 -22.653 -8.543 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -3.749 -24.484 -9.273 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -1.447 -22.979 -9.478 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -2.791 -24.818 -10.210 1.00 0.00 C ATOM 1538 CZ TYR A 105 -1.642 -24.063 -10.309 1.00 0.00 C ATOM 1539 OH TYR A 105 -0.685 -24.392 -11.241 1.00 0.00 O ATOM 0 H TYR A 105 -4.052 -20.859 -5.981 1.00 0.00 H new ATOM 0 HA TYR A 105 -5.254 -21.390 -8.632 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.201 -23.133 -6.403 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -5.449 -23.752 -7.467 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.254 -21.804 -7.894 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.648 -25.078 -9.199 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.546 -22.389 -9.558 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -2.941 -25.666 -10.862 1.00 0.00 H new ATOM 0 HH TYR A 105 -0.976 -25.181 -11.744 1.00 0.00 H new ATOM 1549 N ASP A 106 -7.565 -22.082 -7.684 1.00 0.00 N ATOM 1550 CA ASP A 106 -8.947 -22.072 -7.221 1.00 0.00 C ATOM 1551 C ASP A 106 -9.296 -23.385 -6.526 1.00 0.00 C ATOM 1552 O ASP A 106 -9.403 -24.429 -7.168 1.00 0.00 O ATOM 1553 CB ASP A 106 -9.900 -21.834 -8.394 1.00 0.00 C ATOM 1554 CG ASP A 106 -9.712 -22.847 -9.506 1.00 0.00 C ATOM 1555 OD1 ASP A 106 -10.300 -23.944 -9.414 1.00 0.00 O ATOM 1556 OD2 ASP A 106 -8.976 -22.543 -10.469 1.00 0.00 O ATOM 0 H ASP A 106 -7.426 -22.532 -8.589 1.00 0.00 H new ATOM 0 HA ASP A 106 -9.057 -21.259 -6.503 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.929 -21.877 -8.037 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.742 -20.831 -8.790 1.00 0.00 H new ATOM 1561 N ALA A 107 -9.472 -23.323 -5.210 1.00 0.00 N ATOM 1562 CA ALA A 107 -9.809 -24.506 -4.427 1.00 0.00 C ATOM 1563 C ALA A 107 -11.314 -24.759 -4.437 1.00 0.00 C ATOM 1564 O ALA A 107 -11.900 -25.107 -3.413 1.00 0.00 O ATOM 1565 CB ALA A 107 -9.307 -24.356 -3.000 1.00 0.00 C ATOM 0 H ALA A 107 -9.387 -22.466 -4.664 1.00 0.00 H new ATOM 0 HA ALA A 107 -9.318 -25.366 -4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -9.566 -25.247 -2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -8.224 -24.231 -3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -9.770 -23.483 -2.541 1.00 0.00 H new ATOM 1571 N SER A 108 -11.932 -24.582 -5.600 1.00 0.00 N ATOM 1572 CA SER A 108 -13.368 -24.788 -5.741 1.00 0.00 C ATOM 1573 C SER A 108 -13.678 -25.634 -6.972 1.00 0.00 C ATOM 1574 O SER A 108 -13.244 -25.321 -8.078 1.00 0.00 O ATOM 1575 CB SER A 108 -14.090 -23.442 -5.840 1.00 0.00 C ATOM 1576 OG SER A 108 -13.744 -22.597 -4.756 1.00 0.00 O ATOM 0 H SER A 108 -11.461 -24.296 -6.458 1.00 0.00 H new ATOM 0 HA SER A 108 -13.722 -25.319 -4.858 1.00 0.00 H new ATOM 0 HB2 SER A 108 -13.832 -22.956 -6.781 1.00 0.00 H new ATOM 0 HB3 SER A 108 -15.168 -23.604 -5.850 1.00 0.00 H new ATOM 0 HG SER A 108 -14.217 -21.743 -4.843 1.00 0.00 H new TER 1582 SER A 108