USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=27 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 60 ASN : amide:sc= -2.39! K(o=-3.3!,f=-1.2) USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= -0.95 USER MOD Set 2.1: A 64 ASN : amide:sc= -1.56 K(o=-1.7,f=-0.17) USER MOD Set 2.2: A 68 THR OG1 : rot 180:sc= -0.188 USER MOD Set 2.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 37 SER OG : rot 118:sc= 0.0838 USER MOD Set 3.2: A 87 TYR OH : rot -75:sc= 1.09 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -8:sc= 0.368 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -5.65! C(o=-5.6!,f=-5.1!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0288 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -68:sc= 0.163 USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00817) USER MOD Single : A 69 HIS : no HD1:sc= -5! C(o=-5!,f=-2.8!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0309 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.173 K(o=-0.17,f=-2.2!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -142:sc= -0.0105 (180deg=-0.579) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -127:sc=-0.00632 (180deg=-0.093) USER MOD Single : A 95 SER OG : rot -149:sc= -0.639 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -156:sc= -0.0778 (180deg=-0.547) USER MOD Single : A 104 THR OG1 : rot -2:sc= -0.588 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 87:sc= 0.621 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.237 36.606 5.086 1.00 0.00 N ATOM 2 CA GLY A 1 -8.531 35.449 4.567 1.00 0.00 C ATOM 3 C GLY A 1 -7.137 35.791 4.079 1.00 0.00 C ATOM 4 O GLY A 1 -6.376 36.465 4.774 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.184 36.320 5.407 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.707 37.006 5.886 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.327 37.322 4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.464 34.689 5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.104 35.016 3.747 1.00 0.00 H new ATOM 8 N SER A 2 -6.801 35.326 2.880 1.00 0.00 N ATOM 9 CA SER A 2 -5.488 35.582 2.302 1.00 0.00 C ATOM 10 C SER A 2 -4.392 35.436 3.354 1.00 0.00 C ATOM 11 O SER A 2 -3.460 36.237 3.410 1.00 0.00 O ATOM 12 CB SER A 2 -5.440 36.984 1.691 1.00 0.00 C ATOM 13 OG SER A 2 -5.523 37.980 2.695 1.00 0.00 O ATOM 0 H SER A 2 -7.420 34.770 2.290 1.00 0.00 H new ATOM 0 HA SER A 2 -5.315 34.845 1.518 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.515 37.107 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.262 37.105 0.985 1.00 0.00 H new ATOM 0 HG SER A 2 -5.720 37.559 3.558 1.00 0.00 H new ATOM 19 N SER A 3 -4.514 34.408 4.187 1.00 0.00 N ATOM 20 CA SER A 3 -3.537 34.158 5.241 1.00 0.00 C ATOM 21 C SER A 3 -2.292 33.480 4.678 1.00 0.00 C ATOM 22 O SER A 3 -2.227 32.255 4.585 1.00 0.00 O ATOM 23 CB SER A 3 -4.153 33.289 6.340 1.00 0.00 C ATOM 24 OG SER A 3 -5.059 34.036 7.132 1.00 0.00 O ATOM 0 H SER A 3 -5.279 33.735 4.153 1.00 0.00 H new ATOM 0 HA SER A 3 -3.245 35.118 5.667 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.671 32.442 5.891 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.363 32.882 6.971 1.00 0.00 H new ATOM 0 HG SER A 3 -5.440 33.458 7.826 1.00 0.00 H new ATOM 30 N GLY A 4 -1.305 34.287 4.302 1.00 0.00 N ATOM 31 CA GLY A 4 -0.074 33.749 3.753 1.00 0.00 C ATOM 32 C GLY A 4 0.468 32.593 4.570 1.00 0.00 C ATOM 33 O GLY A 4 0.434 32.624 5.801 1.00 0.00 O ATOM 0 H GLY A 4 -1.336 35.304 4.368 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.251 33.416 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.675 34.539 3.706 1.00 0.00 H new ATOM 37 N SER A 5 0.970 31.570 3.885 1.00 0.00 N ATOM 38 CA SER A 5 1.518 30.397 4.556 1.00 0.00 C ATOM 39 C SER A 5 2.339 29.551 3.587 1.00 0.00 C ATOM 40 O SER A 5 1.918 29.299 2.458 1.00 0.00 O ATOM 41 CB SER A 5 0.392 29.555 5.158 1.00 0.00 C ATOM 42 OG SER A 5 -0.417 28.985 4.143 1.00 0.00 O ATOM 0 H SER A 5 1.008 31.530 2.867 1.00 0.00 H new ATOM 0 HA SER A 5 2.173 30.740 5.357 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.816 28.764 5.777 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.222 30.176 5.811 1.00 0.00 H new ATOM 0 HG SER A 5 -1.128 28.450 4.553 1.00 0.00 H new ATOM 48 N SER A 6 3.511 29.117 4.037 1.00 0.00 N ATOM 49 CA SER A 6 4.393 28.302 3.210 1.00 0.00 C ATOM 50 C SER A 6 4.747 26.997 3.915 1.00 0.00 C ATOM 51 O SER A 6 4.826 26.942 5.141 1.00 0.00 O ATOM 52 CB SER A 6 5.670 29.076 2.873 1.00 0.00 C ATOM 53 OG SER A 6 6.420 29.355 4.042 1.00 0.00 O ATOM 0 H SER A 6 3.872 29.316 4.970 1.00 0.00 H new ATOM 0 HA SER A 6 3.866 28.064 2.286 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.277 28.497 2.177 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.412 30.009 2.371 1.00 0.00 H new ATOM 0 HG SER A 6 7.231 29.848 3.800 1.00 0.00 H new ATOM 59 N GLY A 7 4.961 25.945 3.129 1.00 0.00 N ATOM 60 CA GLY A 7 5.304 24.654 3.695 1.00 0.00 C ATOM 61 C GLY A 7 4.156 24.037 4.471 1.00 0.00 C ATOM 62 O GLY A 7 4.019 24.260 5.673 1.00 0.00 O ATOM 0 H GLY A 7 4.903 25.965 2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.602 23.977 2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.165 24.767 4.354 1.00 0.00 H new ATOM 66 N VAL A 8 3.328 23.259 3.780 1.00 0.00 N ATOM 67 CA VAL A 8 2.186 22.608 4.411 1.00 0.00 C ATOM 68 C VAL A 8 2.046 21.165 3.939 1.00 0.00 C ATOM 69 O VAL A 8 2.234 20.865 2.760 1.00 0.00 O ATOM 70 CB VAL A 8 0.877 23.362 4.115 1.00 0.00 C ATOM 71 CG1 VAL A 8 0.648 23.466 2.615 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.298 22.677 4.797 1.00 0.00 C ATOM 0 H VAL A 8 3.427 23.065 2.784 1.00 0.00 H new ATOM 0 HA VAL A 8 2.369 22.620 5.486 1.00 0.00 H new ATOM 0 HB VAL A 8 0.961 24.372 4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.282 24.002 2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.477 24.005 2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.584 22.466 2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.215 23.223 4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.387 21.655 4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.135 22.661 5.875 1.00 0.00 H new ATOM 82 N VAL A 9 1.715 20.274 4.869 1.00 0.00 N ATOM 83 CA VAL A 9 1.548 18.862 4.549 1.00 0.00 C ATOM 84 C VAL A 9 0.142 18.383 4.891 1.00 0.00 C ATOM 85 O VAL A 9 -0.382 18.679 5.966 1.00 0.00 O ATOM 86 CB VAL A 9 2.572 17.991 5.300 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.237 16.515 5.143 1.00 0.00 C ATOM 88 CG2 VAL A 9 3.981 18.281 4.807 1.00 0.00 C ATOM 0 H VAL A 9 1.557 20.506 5.850 1.00 0.00 H new ATOM 0 HA VAL A 9 1.712 18.760 3.476 1.00 0.00 H new ATOM 0 HB VAL A 9 2.524 18.239 6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.972 15.916 5.681 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.244 16.322 5.549 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.255 16.248 4.086 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.692 17.657 5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.045 18.063 3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.217 19.331 4.978 1.00 0.00 H new ATOM 98 N ASP A 10 -0.465 17.641 3.971 1.00 0.00 N ATOM 99 CA ASP A 10 -1.812 17.120 4.177 1.00 0.00 C ATOM 100 C ASP A 10 -1.876 15.633 3.837 1.00 0.00 C ATOM 101 O ASP A 10 -2.022 15.242 2.678 1.00 0.00 O ATOM 102 CB ASP A 10 -2.817 17.894 3.323 1.00 0.00 C ATOM 103 CG ASP A 10 -4.200 17.926 3.944 1.00 0.00 C ATOM 104 OD1 ASP A 10 -4.767 16.839 4.186 1.00 0.00 O ATOM 105 OD2 ASP A 10 -4.715 19.037 4.189 1.00 0.00 O ATOM 0 H ASP A 10 -0.046 17.387 3.076 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.068 17.246 5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.461 18.915 3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.876 17.439 2.334 1.00 0.00 H new ATOM 110 N PRO A 11 -1.763 14.785 4.869 1.00 0.00 N ATOM 111 CA PRO A 11 -1.805 13.328 4.705 1.00 0.00 C ATOM 112 C PRO A 11 -3.193 12.828 4.319 1.00 0.00 C ATOM 113 O PRO A 11 -3.401 11.630 4.133 1.00 0.00 O ATOM 114 CB PRO A 11 -1.414 12.804 6.089 1.00 0.00 C ATOM 115 CG PRO A 11 -1.794 13.896 7.029 1.00 0.00 C ATOM 116 CD PRO A 11 -1.587 15.181 6.276 1.00 0.00 C ATOM 0 HA PRO A 11 -1.148 12.989 3.904 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.939 11.878 6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.347 12.588 6.144 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.831 13.793 7.348 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.180 13.868 7.929 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.310 15.941 6.573 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.595 15.596 6.455 1.00 0.00 H new ATOM 124 N SER A 12 -4.139 13.755 4.199 1.00 0.00 N ATOM 125 CA SER A 12 -5.508 13.407 3.837 1.00 0.00 C ATOM 126 C SER A 12 -5.757 13.653 2.353 1.00 0.00 C ATOM 127 O SER A 12 -6.886 13.543 1.873 1.00 0.00 O ATOM 128 CB SER A 12 -6.500 14.217 4.674 1.00 0.00 C ATOM 129 OG SER A 12 -6.195 14.128 6.055 1.00 0.00 O ATOM 0 H SER A 12 -3.982 14.752 4.347 1.00 0.00 H new ATOM 0 HA SER A 12 -5.653 12.346 4.040 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.478 15.261 4.360 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.512 13.852 4.498 1.00 0.00 H new ATOM 0 HG SER A 12 -6.842 14.656 6.568 1.00 0.00 H new ATOM 135 N LYS A 13 -4.694 13.988 1.629 1.00 0.00 N ATOM 136 CA LYS A 13 -4.794 14.249 0.197 1.00 0.00 C ATOM 137 C LYS A 13 -4.054 13.183 -0.604 1.00 0.00 C ATOM 138 O LYS A 13 -4.131 13.149 -1.832 1.00 0.00 O ATOM 139 CB LYS A 13 -4.228 15.633 -0.129 1.00 0.00 C ATOM 140 CG LYS A 13 -4.794 16.742 0.739 1.00 0.00 C ATOM 141 CD LYS A 13 -6.121 17.251 0.202 1.00 0.00 C ATOM 142 CE LYS A 13 -7.295 16.505 0.819 1.00 0.00 C ATOM 143 NZ LYS A 13 -8.599 17.120 0.450 1.00 0.00 N ATOM 0 H LYS A 13 -3.753 14.085 2.010 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.848 14.219 -0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.144 15.610 -0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.432 15.862 -1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.929 16.375 1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.081 17.565 0.789 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.215 18.317 0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.144 17.136 -0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.278 15.466 0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.191 16.498 1.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.373 16.583 0.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.626 18.104 0.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.710 17.104 -0.584 1.00 0.00 H new ATOM 157 N VAL A 14 -3.338 12.312 0.100 1.00 0.00 N ATOM 158 CA VAL A 14 -2.586 11.242 -0.545 1.00 0.00 C ATOM 159 C VAL A 14 -3.462 10.015 -0.774 1.00 0.00 C ATOM 160 O VAL A 14 -4.093 9.507 0.154 1.00 0.00 O ATOM 161 CB VAL A 14 -1.359 10.835 0.291 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.730 10.714 1.761 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.769 9.532 -0.228 1.00 0.00 C ATOM 0 H VAL A 14 -3.263 12.326 1.117 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.248 11.628 -1.507 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.602 11.613 0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.850 10.426 2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.101 11.673 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.505 9.957 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.097 9.259 0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.518 8.743 -0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.463 9.659 -1.266 1.00 0.00 H new ATOM 173 N LYS A 15 -3.495 9.541 -2.015 1.00 0.00 N ATOM 174 CA LYS A 15 -4.291 8.372 -2.367 1.00 0.00 C ATOM 175 C LYS A 15 -3.431 7.312 -3.046 1.00 0.00 C ATOM 176 O LYS A 15 -2.277 7.565 -3.392 1.00 0.00 O ATOM 177 CB LYS A 15 -5.445 8.773 -3.288 1.00 0.00 C ATOM 178 CG LYS A 15 -6.404 9.772 -2.663 1.00 0.00 C ATOM 179 CD LYS A 15 -7.644 9.966 -3.518 1.00 0.00 C ATOM 180 CE LYS A 15 -7.390 10.947 -4.653 1.00 0.00 C ATOM 181 NZ LYS A 15 -7.678 12.351 -4.247 1.00 0.00 N ATOM 0 H LYS A 15 -2.979 9.949 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.697 7.951 -1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.036 9.199 -4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.000 7.879 -3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.696 9.426 -1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.899 10.729 -2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.958 9.006 -3.928 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.462 10.330 -2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.352 10.868 -4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.011 10.682 -5.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.493 12.989 -5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.675 12.433 -3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.067 12.613 -3.447 1.00 0.00 H new ATOM 195 N ILE A 16 -3.999 6.126 -3.234 1.00 0.00 N ATOM 196 CA ILE A 16 -3.284 5.029 -3.874 1.00 0.00 C ATOM 197 C ILE A 16 -4.225 4.176 -4.717 1.00 0.00 C ATOM 198 O ILE A 16 -5.337 3.859 -4.294 1.00 0.00 O ATOM 199 CB ILE A 16 -2.584 4.131 -2.836 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.620 3.466 -1.925 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.593 4.941 -2.016 1.00 0.00 C ATOM 202 CD1 ILE A 16 -3.019 2.484 -0.944 1.00 0.00 C ATOM 0 H ILE A 16 -4.953 5.900 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.530 5.479 -4.520 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.036 3.351 -3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.155 4.238 -1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.355 2.948 -2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.107 4.292 -1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.841 5.372 -2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.120 5.741 -1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.810 2.051 -0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.508 1.691 -1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.305 3.001 -0.303 1.00 0.00 H new ATOM 214 N ALA A 17 -3.772 3.805 -5.910 1.00 0.00 N ATOM 215 CA ALA A 17 -4.573 2.985 -6.810 1.00 0.00 C ATOM 216 C ALA A 17 -3.707 1.960 -7.535 1.00 0.00 C ATOM 217 O ALA A 17 -2.565 2.241 -7.895 1.00 0.00 O ATOM 218 CB ALA A 17 -5.306 3.863 -7.814 1.00 0.00 C ATOM 0 H ALA A 17 -2.854 4.059 -6.276 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.307 2.445 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.900 3.237 -8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.962 4.553 -7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.581 4.429 -8.399 1.00 0.00 H new ATOM 224 N GLY A 18 -4.258 0.769 -7.745 1.00 0.00 N ATOM 225 CA GLY A 18 -3.521 -0.281 -8.425 1.00 0.00 C ATOM 226 C GLY A 18 -4.104 -1.656 -8.170 1.00 0.00 C ATOM 227 O GLY A 18 -4.977 -1.838 -7.321 1.00 0.00 O ATOM 0 H GLY A 18 -5.202 0.512 -7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.519 -0.084 -9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.482 -0.263 -8.096 1.00 0.00 H new ATOM 231 N PRO A 19 -3.618 -2.657 -8.920 1.00 0.00 N ATOM 232 CA PRO A 19 -4.083 -4.041 -8.791 1.00 0.00 C ATOM 233 C PRO A 19 -3.644 -4.680 -7.478 1.00 0.00 C ATOM 234 O PRO A 19 -4.324 -5.555 -6.944 1.00 0.00 O ATOM 235 CB PRO A 19 -3.424 -4.749 -9.977 1.00 0.00 C ATOM 236 CG PRO A 19 -2.214 -3.936 -10.279 1.00 0.00 C ATOM 237 CD PRO A 19 -2.577 -2.515 -9.951 1.00 0.00 C ATOM 0 HA PRO A 19 -5.171 -4.107 -8.789 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.158 -5.776 -9.727 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.095 -4.793 -10.835 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.363 -4.268 -9.685 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.930 -4.034 -11.327 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.718 -1.956 -9.580 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.949 -1.983 -10.827 1.00 0.00 H new ATOM 245 N GLY A 20 -2.500 -4.237 -6.963 1.00 0.00 N ATOM 246 CA GLY A 20 -1.989 -4.777 -5.717 1.00 0.00 C ATOM 247 C GLY A 20 -2.950 -4.578 -4.562 1.00 0.00 C ATOM 248 O GLY A 20 -3.200 -5.502 -3.786 1.00 0.00 O ATOM 0 H GLY A 20 -1.919 -3.514 -7.387 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.790 -5.841 -5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.038 -4.300 -5.481 1.00 0.00 H new ATOM 252 N LEU A 21 -3.490 -3.370 -4.445 1.00 0.00 N ATOM 253 CA LEU A 21 -4.429 -3.051 -3.375 1.00 0.00 C ATOM 254 C LEU A 21 -5.790 -3.689 -3.636 1.00 0.00 C ATOM 255 O LEU A 21 -6.542 -3.974 -2.706 1.00 0.00 O ATOM 256 CB LEU A 21 -4.581 -1.536 -3.237 1.00 0.00 C ATOM 257 CG LEU A 21 -3.284 -0.744 -3.069 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.486 0.706 -3.482 1.00 0.00 C ATOM 259 CD2 LEU A 21 -2.792 -0.826 -1.631 1.00 0.00 C ATOM 0 H LEU A 21 -3.294 -2.595 -5.078 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.031 -3.456 -2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.100 -1.161 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.222 -1.332 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.526 -1.183 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.552 1.254 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.792 0.747 -4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.259 1.157 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.868 -0.257 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.548 -0.412 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.607 -1.868 -1.369 1.00 0.00 H new ATOM 271 N GLY A 22 -6.099 -3.912 -4.911 1.00 0.00 N ATOM 272 CA GLY A 22 -7.368 -4.517 -5.271 1.00 0.00 C ATOM 273 C GLY A 22 -7.640 -5.794 -4.503 1.00 0.00 C ATOM 274 O GLY A 22 -6.757 -6.321 -3.826 1.00 0.00 O ATOM 0 H GLY A 22 -5.493 -3.684 -5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.172 -3.806 -5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.375 -4.731 -6.340 1.00 0.00 H new ATOM 278 N SER A 23 -8.867 -6.295 -4.606 1.00 0.00 N ATOM 279 CA SER A 23 -9.256 -7.516 -3.911 1.00 0.00 C ATOM 280 C SER A 23 -8.884 -8.749 -4.730 1.00 0.00 C ATOM 281 O SER A 23 -8.999 -9.880 -4.258 1.00 0.00 O ATOM 282 CB SER A 23 -10.760 -7.512 -3.629 1.00 0.00 C ATOM 283 OG SER A 23 -11.501 -7.309 -4.820 1.00 0.00 O ATOM 0 H SER A 23 -9.609 -5.874 -5.165 1.00 0.00 H new ATOM 0 HA SER A 23 -8.717 -7.553 -2.964 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.050 -8.459 -3.173 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.997 -6.727 -2.911 1.00 0.00 H new ATOM 0 HG SER A 23 -12.459 -7.312 -4.614 1.00 0.00 H new ATOM 289 N GLY A 24 -8.438 -8.522 -5.962 1.00 0.00 N ATOM 290 CA GLY A 24 -8.056 -9.622 -6.827 1.00 0.00 C ATOM 291 C GLY A 24 -6.583 -9.964 -6.715 1.00 0.00 C ATOM 292 O GLY A 24 -5.907 -10.169 -7.722 1.00 0.00 O ATOM 0 H GLY A 24 -8.335 -7.596 -6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.650 -10.501 -6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.289 -9.365 -7.860 1.00 0.00 H new ATOM 296 N VAL A 25 -6.084 -10.024 -5.485 1.00 0.00 N ATOM 297 CA VAL A 25 -4.682 -10.344 -5.243 1.00 0.00 C ATOM 298 C VAL A 25 -4.487 -11.841 -5.034 1.00 0.00 C ATOM 299 O VAL A 25 -5.326 -12.508 -4.429 1.00 0.00 O ATOM 300 CB VAL A 25 -4.138 -9.591 -4.015 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.688 -9.968 -3.755 1.00 0.00 C ATOM 302 CG2 VAL A 25 -4.279 -8.088 -4.206 1.00 0.00 C ATOM 0 H VAL A 25 -6.630 -9.855 -4.640 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.129 -10.029 -6.128 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.726 -9.881 -3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.322 -9.426 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.618 -11.040 -3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.083 -9.709 -4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.890 -7.572 -3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.718 -7.779 -5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.331 -7.835 -4.339 1.00 0.00 H new ATOM 312 N ARG A 26 -3.375 -12.363 -5.540 1.00 0.00 N ATOM 313 CA ARG A 26 -3.069 -13.783 -5.409 1.00 0.00 C ATOM 314 C ARG A 26 -1.779 -13.992 -4.621 1.00 0.00 C ATOM 315 O ARG A 26 -0.927 -13.107 -4.563 1.00 0.00 O ATOM 316 CB ARG A 26 -2.946 -14.429 -6.791 1.00 0.00 C ATOM 317 CG ARG A 26 -4.168 -14.221 -7.671 1.00 0.00 C ATOM 318 CD ARG A 26 -3.912 -14.681 -9.098 1.00 0.00 C ATOM 319 NE ARG A 26 -3.336 -13.620 -9.921 1.00 0.00 N ATOM 320 CZ ARG A 26 -3.278 -13.667 -11.246 1.00 0.00 C ATOM 321 NH1 ARG A 26 -3.758 -14.718 -11.897 1.00 0.00 N ATOM 322 NH2 ARG A 26 -2.740 -12.661 -11.924 1.00 0.00 N ATOM 0 H ARG A 26 -2.671 -11.824 -6.044 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.886 -14.256 -4.865 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.071 -14.021 -7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.774 -15.498 -6.669 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.014 -14.770 -7.257 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.442 -13.166 -7.671 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.238 -15.538 -9.087 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.848 -15.018 -9.544 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.957 -12.798 -9.451 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.173 -15.493 -11.379 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.712 -14.752 -12.915 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.371 -11.851 -11.427 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.696 -12.698 -12.942 1.00 0.00 H new ATOM 336 N ALA A 27 -1.644 -15.169 -4.019 1.00 0.00 N ATOM 337 CA ALA A 27 -0.458 -15.494 -3.237 1.00 0.00 C ATOM 338 C ALA A 27 0.741 -15.755 -4.141 1.00 0.00 C ATOM 339 O ALA A 27 0.595 -16.266 -5.251 1.00 0.00 O ATOM 340 CB ALA A 27 -0.726 -16.701 -2.349 1.00 0.00 C ATOM 0 H ALA A 27 -2.341 -15.913 -4.058 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.223 -14.637 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.168 -16.933 -1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.549 -16.478 -1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.989 -17.558 -2.969 1.00 0.00 H new ATOM 346 N ARG A 28 1.928 -15.400 -3.659 1.00 0.00 N ATOM 347 CA ARG A 28 3.153 -15.594 -4.426 1.00 0.00 C ATOM 348 C ARG A 28 3.049 -14.930 -5.795 1.00 0.00 C ATOM 349 O ARG A 28 3.568 -15.441 -6.787 1.00 0.00 O ATOM 350 CB ARG A 28 3.444 -17.087 -4.592 1.00 0.00 C ATOM 351 CG ARG A 28 3.579 -17.832 -3.274 1.00 0.00 C ATOM 352 CD ARG A 28 4.389 -19.109 -3.438 1.00 0.00 C ATOM 353 NE ARG A 28 3.667 -20.121 -4.205 1.00 0.00 N ATOM 354 CZ ARG A 28 2.765 -20.940 -3.676 1.00 0.00 C ATOM 355 NH1 ARG A 28 2.476 -20.867 -2.385 1.00 0.00 N ATOM 356 NH2 ARG A 28 2.151 -21.834 -4.440 1.00 0.00 N ATOM 0 H ARG A 28 2.067 -14.977 -2.741 1.00 0.00 H new ATOM 0 HA ARG A 28 3.973 -15.129 -3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.644 -17.542 -5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.364 -17.208 -5.164 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.059 -17.187 -2.538 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.589 -18.075 -2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.330 -18.879 -3.937 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.638 -19.509 -2.455 1.00 0.00 H new ATOM 0 HE ARG A 28 3.867 -20.203 -5.202 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.947 -20.181 -1.795 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.783 -21.497 -1.981 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.372 -21.893 -5.434 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.458 -22.463 -4.033 1.00 0.00 H new ATOM 370 N VAL A 29 2.373 -13.785 -5.841 1.00 0.00 N ATOM 371 CA VAL A 29 2.201 -13.049 -7.088 1.00 0.00 C ATOM 372 C VAL A 29 2.765 -11.637 -6.975 1.00 0.00 C ATOM 373 O VAL A 29 2.805 -11.057 -5.889 1.00 0.00 O ATOM 374 CB VAL A 29 0.718 -12.967 -7.492 1.00 0.00 C ATOM 375 CG1 VAL A 29 0.506 -11.881 -8.534 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.230 -14.313 -8.006 1.00 0.00 C ATOM 0 H VAL A 29 1.936 -13.348 -5.029 1.00 0.00 H new ATOM 0 HA VAL A 29 2.749 -13.596 -7.856 1.00 0.00 H new ATOM 0 HB VAL A 29 0.134 -12.708 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.549 -11.839 -8.806 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.814 -10.919 -8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.101 -12.105 -9.419 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.820 -14.236 -8.287 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.818 -14.605 -8.876 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.342 -15.064 -7.224 1.00 0.00 H new ATOM 386 N LEU A 30 3.199 -11.087 -8.104 1.00 0.00 N ATOM 387 CA LEU A 30 3.761 -9.741 -8.133 1.00 0.00 C ATOM 388 C LEU A 30 2.661 -8.690 -8.025 1.00 0.00 C ATOM 389 O LEU A 30 1.882 -8.496 -8.957 1.00 0.00 O ATOM 390 CB LEU A 30 4.560 -9.528 -9.419 1.00 0.00 C ATOM 391 CG LEU A 30 5.268 -8.179 -9.555 1.00 0.00 C ATOM 392 CD1 LEU A 30 6.642 -8.230 -8.905 1.00 0.00 C ATOM 393 CD2 LEU A 30 5.383 -7.782 -11.020 1.00 0.00 C ATOM 0 H LEU A 30 3.172 -11.552 -9.011 1.00 0.00 H new ATOM 0 HA LEU A 30 4.427 -9.634 -7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.308 -10.317 -9.493 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.885 -9.648 -10.266 1.00 0.00 H new ATOM 0 HG LEU A 30 4.673 -7.424 -9.041 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.131 -7.262 -9.011 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.535 -8.468 -7.847 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.246 -8.997 -9.390 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.889 -6.820 -11.098 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.956 -8.538 -11.558 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.387 -7.704 -11.455 1.00 0.00 H new ATOM 405 N GLN A 31 2.605 -8.015 -6.880 1.00 0.00 N ATOM 406 CA GLN A 31 1.601 -6.983 -6.652 1.00 0.00 C ATOM 407 C GLN A 31 2.249 -5.606 -6.557 1.00 0.00 C ATOM 408 O GLN A 31 3.185 -5.400 -5.784 1.00 0.00 O ATOM 409 CB GLN A 31 0.817 -7.279 -5.372 1.00 0.00 C ATOM 410 CG GLN A 31 0.329 -8.716 -5.277 1.00 0.00 C ATOM 411 CD GLN A 31 -0.678 -9.063 -6.357 1.00 0.00 C ATOM 412 OE1 GLN A 31 -1.156 -8.189 -7.081 1.00 0.00 O ATOM 413 NE2 GLN A 31 -1.004 -10.345 -6.472 1.00 0.00 N ATOM 0 H GLN A 31 3.242 -8.165 -6.098 1.00 0.00 H new ATOM 0 HA GLN A 31 0.915 -6.985 -7.499 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.448 -7.060 -4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.040 -6.608 -5.318 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.182 -9.391 -5.350 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.123 -8.878 -4.298 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.583 -11.036 -5.851 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.675 -10.639 -7.182 1.00 0.00 H new ATOM 422 N SER A 32 1.745 -4.664 -7.349 1.00 0.00 N ATOM 423 CA SER A 32 2.278 -3.307 -7.357 1.00 0.00 C ATOM 424 C SER A 32 1.162 -2.286 -7.557 1.00 0.00 C ATOM 425 O SER A 32 0.156 -2.569 -8.209 1.00 0.00 O ATOM 426 CB SER A 32 3.326 -3.154 -8.462 1.00 0.00 C ATOM 427 OG SER A 32 3.979 -1.899 -8.375 1.00 0.00 O ATOM 0 H SER A 32 0.969 -4.816 -7.993 1.00 0.00 H new ATOM 0 HA SER A 32 2.748 -3.123 -6.391 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.060 -3.956 -8.385 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.848 -3.252 -9.437 1.00 0.00 H new ATOM 0 HG SER A 32 4.645 -1.826 -9.090 1.00 0.00 H new ATOM 433 N PHE A 33 1.346 -1.099 -6.989 1.00 0.00 N ATOM 434 CA PHE A 33 0.355 -0.035 -7.103 1.00 0.00 C ATOM 435 C PHE A 33 1.029 1.332 -7.162 1.00 0.00 C ATOM 436 O PHE A 33 2.237 1.452 -6.956 1.00 0.00 O ATOM 437 CB PHE A 33 -0.617 -0.086 -5.921 1.00 0.00 C ATOM 438 CG PHE A 33 0.067 -0.116 -4.584 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.687 -1.269 -4.133 1.00 0.00 C ATOM 440 CD2 PHE A 33 0.088 1.012 -3.778 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.318 -1.298 -2.904 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.717 0.988 -2.547 1.00 0.00 C ATOM 443 CZ PHE A 33 1.331 -0.168 -2.109 1.00 0.00 C ATOM 0 H PHE A 33 2.172 -0.849 -6.445 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.200 -0.187 -8.029 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.275 0.782 -5.964 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.248 -0.970 -6.017 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.677 -2.156 -4.749 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.392 1.919 -4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.800 -2.203 -2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.728 1.873 -1.928 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.821 -0.189 -1.147 1.00 0.00 H new ATOM 453 N THR A 34 0.239 2.363 -7.447 1.00 0.00 N ATOM 454 CA THR A 34 0.757 3.722 -7.537 1.00 0.00 C ATOM 455 C THR A 34 0.254 4.580 -6.381 1.00 0.00 C ATOM 456 O THR A 34 -0.942 4.611 -6.093 1.00 0.00 O ATOM 457 CB THR A 34 0.359 4.389 -8.867 1.00 0.00 C ATOM 458 OG1 THR A 34 0.846 3.613 -9.968 1.00 0.00 O ATOM 459 CG2 THR A 34 0.915 5.803 -8.952 1.00 0.00 C ATOM 0 H THR A 34 -0.763 2.282 -7.620 1.00 0.00 H new ATOM 0 HA THR A 34 1.843 3.649 -7.487 1.00 0.00 H new ATOM 0 HB THR A 34 -0.729 4.441 -8.911 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.588 4.042 -10.810 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.621 6.253 -9.900 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.521 6.399 -8.129 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.003 5.771 -8.888 1.00 0.00 H new ATOM 467 N VAL A 35 1.176 5.276 -5.722 1.00 0.00 N ATOM 468 CA VAL A 35 0.825 6.136 -4.598 1.00 0.00 C ATOM 469 C VAL A 35 0.952 7.608 -4.972 1.00 0.00 C ATOM 470 O VAL A 35 2.059 8.132 -5.107 1.00 0.00 O ATOM 471 CB VAL A 35 1.713 5.850 -3.374 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.357 6.781 -2.225 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.585 4.395 -2.950 1.00 0.00 C ATOM 0 H VAL A 35 2.171 5.261 -5.947 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.212 5.917 -4.344 1.00 0.00 H new ATOM 0 HB VAL A 35 2.751 6.034 -3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.996 6.563 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.506 7.815 -2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.314 6.633 -1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.220 4.211 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.548 4.181 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.895 3.748 -3.771 1.00 0.00 H new ATOM 483 N ASP A 36 -0.187 8.271 -5.138 1.00 0.00 N ATOM 484 CA ASP A 36 -0.204 9.685 -5.496 1.00 0.00 C ATOM 485 C ASP A 36 -0.222 10.561 -4.247 1.00 0.00 C ATOM 486 O ASP A 36 -1.239 10.659 -3.560 1.00 0.00 O ATOM 487 CB ASP A 36 -1.419 9.997 -6.371 1.00 0.00 C ATOM 488 CG ASP A 36 -1.366 11.395 -6.956 1.00 0.00 C ATOM 489 OD1 ASP A 36 -1.654 12.359 -6.216 1.00 0.00 O ATOM 490 OD2 ASP A 36 -1.039 11.525 -8.155 1.00 0.00 O ATOM 0 H ASP A 36 -1.111 7.852 -5.030 1.00 0.00 H new ATOM 0 HA ASP A 36 0.704 9.903 -6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.477 9.269 -7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.328 9.888 -5.779 1.00 0.00 H new ATOM 495 N SER A 37 0.910 11.194 -3.958 1.00 0.00 N ATOM 496 CA SER A 37 1.026 12.059 -2.789 1.00 0.00 C ATOM 497 C SER A 37 1.426 13.474 -3.196 1.00 0.00 C ATOM 498 O SER A 37 2.024 14.211 -2.414 1.00 0.00 O ATOM 499 CB SER A 37 2.052 11.489 -1.808 1.00 0.00 C ATOM 500 OG SER A 37 3.361 11.547 -2.347 1.00 0.00 O ATOM 0 H SER A 37 1.760 11.124 -4.517 1.00 0.00 H new ATOM 0 HA SER A 37 0.052 12.103 -2.302 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.015 12.048 -0.873 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.798 10.456 -1.571 1.00 0.00 H new ATOM 0 HG SER A 37 3.921 12.124 -1.786 1.00 0.00 H new ATOM 506 N SER A 38 1.091 13.844 -4.428 1.00 0.00 N ATOM 507 CA SER A 38 1.418 15.169 -4.943 1.00 0.00 C ATOM 508 C SER A 38 0.560 16.239 -4.274 1.00 0.00 C ATOM 509 O SER A 38 1.022 17.352 -4.019 1.00 0.00 O ATOM 510 CB SER A 38 1.218 15.215 -6.459 1.00 0.00 C ATOM 511 OG SER A 38 -0.120 14.902 -6.806 1.00 0.00 O ATOM 0 H SER A 38 0.594 13.246 -5.088 1.00 0.00 H new ATOM 0 HA SER A 38 2.465 15.371 -4.715 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.471 16.207 -6.833 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.896 14.510 -6.940 1.00 0.00 H new ATOM 0 HG SER A 38 -0.296 13.958 -6.612 1.00 0.00 H new ATOM 517 N LYS A 39 -0.691 15.893 -3.990 1.00 0.00 N ATOM 518 CA LYS A 39 -1.615 16.821 -3.348 1.00 0.00 C ATOM 519 C LYS A 39 -1.370 16.880 -1.843 1.00 0.00 C ATOM 520 O LYS A 39 -1.847 17.787 -1.163 1.00 0.00 O ATOM 521 CB LYS A 39 -3.061 16.406 -3.626 1.00 0.00 C ATOM 522 CG LYS A 39 -3.458 16.523 -5.087 1.00 0.00 C ATOM 523 CD LYS A 39 -3.937 17.925 -5.425 1.00 0.00 C ATOM 524 CE LYS A 39 -4.406 18.022 -6.868 1.00 0.00 C ATOM 525 NZ LYS A 39 -5.733 17.376 -7.064 1.00 0.00 N ATOM 0 H LYS A 39 -1.089 14.976 -4.194 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.442 17.814 -3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.203 15.375 -3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.729 17.024 -3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.607 16.267 -5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.247 15.805 -5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.752 18.203 -4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.129 18.637 -5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.466 19.070 -7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.672 17.550 -7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.049 17.522 -8.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.654 16.357 -6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.424 17.798 -6.411 1.00 0.00 H new ATOM 539 N ALA A 40 -0.624 15.906 -1.332 1.00 0.00 N ATOM 540 CA ALA A 40 -0.314 15.850 0.092 1.00 0.00 C ATOM 541 C ALA A 40 0.795 16.832 0.452 1.00 0.00 C ATOM 542 O ALA A 40 0.763 17.459 1.509 1.00 0.00 O ATOM 543 CB ALA A 40 0.081 14.435 0.489 1.00 0.00 C ATOM 0 H ALA A 40 -0.223 15.146 -1.882 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.208 16.136 0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.310 14.407 1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.743 13.754 0.277 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.960 14.130 -0.079 1.00 0.00 H new ATOM 549 N GLY A 41 1.777 16.960 -0.436 1.00 0.00 N ATOM 550 CA GLY A 41 2.883 17.867 -0.193 1.00 0.00 C ATOM 551 C GLY A 41 4.221 17.265 -0.571 1.00 0.00 C ATOM 552 O GLY A 41 4.346 16.610 -1.607 1.00 0.00 O ATOM 0 H GLY A 41 1.826 16.452 -1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.728 18.784 -0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.897 18.143 0.861 1.00 0.00 H new ATOM 556 N LEU A 42 5.227 17.486 0.268 1.00 0.00 N ATOM 557 CA LEU A 42 6.565 16.961 0.015 1.00 0.00 C ATOM 558 C LEU A 42 6.999 16.017 1.132 1.00 0.00 C ATOM 559 O LEU A 42 8.184 15.722 1.283 1.00 0.00 O ATOM 560 CB LEU A 42 7.568 18.109 -0.116 1.00 0.00 C ATOM 561 CG LEU A 42 7.615 19.096 1.051 1.00 0.00 C ATOM 562 CD1 LEU A 42 6.589 20.202 0.855 1.00 0.00 C ATOM 563 CD2 LEU A 42 7.379 18.375 2.370 1.00 0.00 C ATOM 0 H LEU A 42 5.142 18.025 1.130 1.00 0.00 H new ATOM 0 HA LEU A 42 6.539 16.401 -0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.563 17.683 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.338 18.664 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 42 8.606 19.548 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.636 20.895 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.803 20.737 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.591 19.767 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.416 19.093 3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.401 17.895 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.151 17.619 2.515 1.00 0.00 H new ATOM 575 N ALA A 43 6.031 15.543 1.909 1.00 0.00 N ATOM 576 CA ALA A 43 6.312 14.629 3.008 1.00 0.00 C ATOM 577 C ALA A 43 6.597 13.221 2.493 1.00 0.00 C ATOM 578 O ALA A 43 6.108 12.809 1.440 1.00 0.00 O ATOM 579 CB ALA A 43 5.149 14.608 3.989 1.00 0.00 C ATOM 0 H ALA A 43 5.045 15.777 1.797 1.00 0.00 H new ATOM 0 HA ALA A 43 7.203 14.986 3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.373 13.921 4.805 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.994 15.609 4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.246 14.279 3.475 1.00 0.00 H new ATOM 585 N PRO A 44 7.408 12.466 3.248 1.00 0.00 N ATOM 586 CA PRO A 44 7.776 11.094 2.887 1.00 0.00 C ATOM 587 C PRO A 44 6.602 10.128 3.006 1.00 0.00 C ATOM 588 O PRO A 44 5.571 10.458 3.593 1.00 0.00 O ATOM 589 CB PRO A 44 8.866 10.740 3.902 1.00 0.00 C ATOM 590 CG PRO A 44 8.590 11.617 5.074 1.00 0.00 C ATOM 591 CD PRO A 44 8.027 12.893 4.515 1.00 0.00 C ATOM 0 HA PRO A 44 8.101 11.019 1.849 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.824 9.686 4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.861 10.924 3.495 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.883 11.145 5.756 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.501 11.808 5.641 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.296 13.339 5.189 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.806 13.638 4.351 1.00 0.00 H new ATOM 599 N LEU A 45 6.766 8.934 2.448 1.00 0.00 N ATOM 600 CA LEU A 45 5.719 7.919 2.493 1.00 0.00 C ATOM 601 C LEU A 45 6.232 6.636 3.140 1.00 0.00 C ATOM 602 O LEU A 45 7.339 6.184 2.850 1.00 0.00 O ATOM 603 CB LEU A 45 5.207 7.623 1.082 1.00 0.00 C ATOM 604 CG LEU A 45 4.274 6.419 0.946 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.825 6.846 1.123 1.00 0.00 C ATOM 606 CD2 LEU A 45 4.471 5.742 -0.403 1.00 0.00 C ATOM 0 H LEU A 45 7.613 8.645 1.959 1.00 0.00 H new ATOM 0 HA LEU A 45 4.898 8.306 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.684 8.506 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.067 7.467 0.430 1.00 0.00 H new ATOM 0 HG LEU A 45 4.519 5.702 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.175 5.977 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.693 7.286 2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.567 7.582 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.799 4.887 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.252 6.451 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.503 5.402 -0.492 1.00 0.00 H new ATOM 618 N GLU A 46 5.419 6.054 4.016 1.00 0.00 N ATOM 619 CA GLU A 46 5.791 4.823 4.702 1.00 0.00 C ATOM 620 C GLU A 46 4.809 3.701 4.377 1.00 0.00 C ATOM 621 O GLU A 46 3.599 3.920 4.310 1.00 0.00 O ATOM 622 CB GLU A 46 5.839 5.051 6.214 1.00 0.00 C ATOM 623 CG GLU A 46 6.779 4.105 6.943 1.00 0.00 C ATOM 624 CD GLU A 46 6.579 4.126 8.446 1.00 0.00 C ATOM 625 OE1 GLU A 46 5.564 3.571 8.916 1.00 0.00 O ATOM 626 OE2 GLU A 46 7.436 4.698 9.150 1.00 0.00 O ATOM 0 H GLU A 46 4.499 6.415 4.267 1.00 0.00 H new ATOM 0 HA GLU A 46 6.781 4.528 4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.148 6.078 6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.835 4.938 6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.626 3.091 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.810 4.375 6.714 1.00 0.00 H new ATOM 633 N VAL A 47 5.339 2.499 4.176 1.00 0.00 N ATOM 634 CA VAL A 47 4.510 1.341 3.858 1.00 0.00 C ATOM 635 C VAL A 47 4.860 0.155 4.749 1.00 0.00 C ATOM 636 O VAL A 47 6.022 -0.049 5.101 1.00 0.00 O ATOM 637 CB VAL A 47 4.669 0.926 2.383 1.00 0.00 C ATOM 638 CG1 VAL A 47 3.750 -0.240 2.056 1.00 0.00 C ATOM 639 CG2 VAL A 47 4.393 2.107 1.465 1.00 0.00 C ATOM 0 H VAL A 47 6.338 2.301 4.228 1.00 0.00 H new ATOM 0 HA VAL A 47 3.475 1.633 4.036 1.00 0.00 H new ATOM 0 HB VAL A 47 5.698 0.603 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.875 -0.520 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.000 -1.090 2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.715 0.052 2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.510 1.796 0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.375 2.462 1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.096 2.910 1.684 1.00 0.00 H new ATOM 649 N ARG A 48 3.846 -0.625 5.110 1.00 0.00 N ATOM 650 CA ARG A 48 4.046 -1.792 5.961 1.00 0.00 C ATOM 651 C ARG A 48 3.045 -2.892 5.619 1.00 0.00 C ATOM 652 O ARG A 48 1.882 -2.618 5.323 1.00 0.00 O ATOM 653 CB ARG A 48 3.908 -1.404 7.435 1.00 0.00 C ATOM 654 CG ARG A 48 3.850 -2.597 8.376 1.00 0.00 C ATOM 655 CD ARG A 48 4.433 -2.260 9.740 1.00 0.00 C ATOM 656 NE ARG A 48 5.847 -1.903 9.657 1.00 0.00 N ATOM 657 CZ ARG A 48 6.500 -1.263 10.620 1.00 0.00 C ATOM 658 NH1 ARG A 48 5.870 -0.912 11.733 1.00 0.00 N ATOM 659 NH2 ARG A 48 7.786 -0.972 10.471 1.00 0.00 N ATOM 0 H ARG A 48 2.878 -0.470 4.827 1.00 0.00 H new ATOM 0 HA ARG A 48 5.052 -2.171 5.784 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.750 -0.771 7.716 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.005 -0.808 7.562 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.816 -2.921 8.491 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.399 -3.432 7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.875 -1.433 10.178 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.313 -3.114 10.407 1.00 0.00 H new ATOM 0 HE ARG A 48 6.361 -2.159 8.814 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.881 -1.134 11.851 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.374 -0.421 12.471 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.274 -1.240 9.616 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.287 -0.480 11.211 1.00 0.00 H new ATOM 673 N VAL A 49 3.507 -4.137 5.661 1.00 0.00 N ATOM 674 CA VAL A 49 2.653 -5.280 5.356 1.00 0.00 C ATOM 675 C VAL A 49 2.613 -6.262 6.520 1.00 0.00 C ATOM 676 O VAL A 49 3.647 -6.774 6.951 1.00 0.00 O ATOM 677 CB VAL A 49 3.132 -6.017 4.092 1.00 0.00 C ATOM 678 CG1 VAL A 49 2.297 -7.266 3.853 1.00 0.00 C ATOM 679 CG2 VAL A 49 3.081 -5.093 2.885 1.00 0.00 C ATOM 0 H VAL A 49 4.467 -4.381 5.903 1.00 0.00 H new ATOM 0 HA VAL A 49 1.651 -4.889 5.181 1.00 0.00 H new ATOM 0 HB VAL A 49 4.167 -6.324 4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.650 -7.774 2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.390 -7.935 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.252 -6.986 3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.423 -5.631 2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.057 -4.753 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.726 -4.232 3.058 1.00 0.00 H new ATOM 689 N LEU A 50 1.412 -6.523 7.026 1.00 0.00 N ATOM 690 CA LEU A 50 1.236 -7.447 8.141 1.00 0.00 C ATOM 691 C LEU A 50 0.588 -8.747 7.675 1.00 0.00 C ATOM 692 O LEU A 50 -0.170 -8.762 6.706 1.00 0.00 O ATOM 693 CB LEU A 50 0.382 -6.801 9.233 1.00 0.00 C ATOM 694 CG LEU A 50 1.142 -6.025 10.309 1.00 0.00 C ATOM 695 CD1 LEU A 50 1.666 -4.711 9.749 1.00 0.00 C ATOM 696 CD2 LEU A 50 0.250 -5.773 11.516 1.00 0.00 C ATOM 0 H LEU A 50 0.546 -6.108 6.682 1.00 0.00 H new ATOM 0 HA LEU A 50 2.220 -7.679 8.547 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.328 -6.124 8.758 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.201 -7.583 9.720 1.00 0.00 H new ATOM 0 HG LEU A 50 1.993 -6.626 10.630 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.204 -4.172 10.529 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.340 -4.913 8.916 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.830 -4.105 9.400 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.808 -5.220 12.271 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.621 -5.193 11.210 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.077 -6.726 11.932 1.00 0.00 H new ATOM 708 N GLY A 51 0.892 -9.837 8.374 1.00 0.00 N ATOM 709 CA GLY A 51 0.329 -11.127 8.017 1.00 0.00 C ATOM 710 C GLY A 51 -0.979 -11.406 8.731 1.00 0.00 C ATOM 711 O GLY A 51 -1.355 -10.714 9.677 1.00 0.00 O ATOM 0 H GLY A 51 1.517 -9.850 9.180 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.166 -11.164 6.940 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.046 -11.912 8.258 1.00 0.00 H new ATOM 715 N PRO A 52 -1.698 -12.441 8.273 1.00 0.00 N ATOM 716 CA PRO A 52 -2.983 -12.833 8.859 1.00 0.00 C ATOM 717 C PRO A 52 -2.826 -13.431 10.253 1.00 0.00 C ATOM 718 O PRO A 52 -3.720 -13.316 11.092 1.00 0.00 O ATOM 719 CB PRO A 52 -3.513 -13.886 7.882 1.00 0.00 C ATOM 720 CG PRO A 52 -2.294 -14.445 7.231 1.00 0.00 C ATOM 721 CD PRO A 52 -1.311 -13.310 7.148 1.00 0.00 C ATOM 0 HA PRO A 52 -3.648 -11.980 8.989 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.075 -14.662 8.402 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.186 -13.442 7.148 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.886 -15.273 7.812 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.525 -14.834 6.239 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.283 -13.660 7.246 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.380 -12.787 6.194 1.00 0.00 H new ATOM 729 N ARG A 53 -1.686 -14.069 10.493 1.00 0.00 N ATOM 730 CA ARG A 53 -1.414 -14.685 11.786 1.00 0.00 C ATOM 731 C ARG A 53 -0.195 -14.046 12.447 1.00 0.00 C ATOM 732 O ARG A 53 0.238 -14.472 13.517 1.00 0.00 O ATOM 733 CB ARG A 53 -1.187 -16.189 11.621 1.00 0.00 C ATOM 734 CG ARG A 53 -0.661 -16.578 10.248 1.00 0.00 C ATOM 735 CD ARG A 53 0.746 -16.048 10.021 1.00 0.00 C ATOM 736 NE ARG A 53 1.690 -16.555 11.014 1.00 0.00 N ATOM 737 CZ ARG A 53 2.993 -16.685 10.791 1.00 0.00 C ATOM 738 NH1 ARG A 53 3.505 -16.345 9.616 1.00 0.00 N ATOM 739 NH2 ARG A 53 3.787 -17.154 11.745 1.00 0.00 N ATOM 0 H ARG A 53 -0.936 -14.173 9.810 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.281 -14.523 12.427 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.482 -16.527 12.380 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.126 -16.712 11.803 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.662 -17.664 10.151 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.327 -16.188 9.478 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.083 -16.330 9.024 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.733 -14.959 10.057 1.00 0.00 H new ATOM 0 HE ARG A 53 1.329 -16.824 11.929 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.898 -15.983 8.881 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.506 -16.446 9.447 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.397 -17.415 12.651 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.787 -17.253 11.573 1.00 0.00 H new ATOM 753 N GLY A 54 0.353 -13.022 11.801 1.00 0.00 N ATOM 754 CA GLY A 54 1.516 -12.343 12.340 1.00 0.00 C ATOM 755 C GLY A 54 2.767 -12.595 11.522 1.00 0.00 C ATOM 756 O GLY A 54 3.733 -13.180 12.015 1.00 0.00 O ATOM 0 H GLY A 54 0.012 -12.651 10.914 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.321 -11.271 12.379 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.683 -12.674 13.365 1.00 0.00 H new ATOM 760 N LEU A 55 2.751 -12.156 10.269 1.00 0.00 N ATOM 761 CA LEU A 55 3.892 -12.340 9.379 1.00 0.00 C ATOM 762 C LEU A 55 4.422 -10.996 8.888 1.00 0.00 C ATOM 763 O LEU A 55 3.653 -10.121 8.490 1.00 0.00 O ATOM 764 CB LEU A 55 3.499 -13.212 8.186 1.00 0.00 C ATOM 765 CG LEU A 55 4.630 -13.588 7.227 1.00 0.00 C ATOM 766 CD1 LEU A 55 5.374 -14.813 7.734 1.00 0.00 C ATOM 767 CD2 LEU A 55 4.084 -13.833 5.829 1.00 0.00 C ATOM 0 H LEU A 55 1.960 -11.670 9.846 1.00 0.00 H new ATOM 0 HA LEU A 55 4.682 -12.839 9.941 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.051 -14.130 8.565 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.727 -12.691 7.619 1.00 0.00 H new ATOM 0 HG LEU A 55 5.333 -12.756 7.180 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.175 -15.066 7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.798 -14.601 8.715 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.683 -15.652 7.812 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.902 -14.099 5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.360 -14.647 5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.598 -12.928 5.465 1.00 0.00 H new ATOM 779 N VAL A 56 5.742 -10.838 8.918 1.00 0.00 N ATOM 780 CA VAL A 56 6.375 -9.603 8.473 1.00 0.00 C ATOM 781 C VAL A 56 6.987 -9.767 7.086 1.00 0.00 C ATOM 782 O VAL A 56 7.730 -10.714 6.834 1.00 0.00 O ATOM 783 CB VAL A 56 7.471 -9.149 9.455 1.00 0.00 C ATOM 784 CG1 VAL A 56 8.118 -7.859 8.974 1.00 0.00 C ATOM 785 CG2 VAL A 56 6.896 -8.979 10.853 1.00 0.00 C ATOM 0 H VAL A 56 6.394 -11.551 9.246 1.00 0.00 H new ATOM 0 HA VAL A 56 5.594 -8.843 8.435 1.00 0.00 H new ATOM 0 HB VAL A 56 8.241 -9.920 9.495 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.890 -7.554 9.680 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.567 -8.020 7.994 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.362 -7.077 8.903 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.684 -8.658 11.534 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.106 -8.228 10.833 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.485 -9.929 11.195 1.00 0.00 H new ATOM 795 N GLU A 57 6.669 -8.837 6.192 1.00 0.00 N ATOM 796 CA GLU A 57 7.188 -8.879 4.829 1.00 0.00 C ATOM 797 C GLU A 57 7.687 -7.504 4.394 1.00 0.00 C ATOM 798 O GLU A 57 7.094 -6.472 4.709 1.00 0.00 O ATOM 799 CB GLU A 57 6.107 -9.371 3.864 1.00 0.00 C ATOM 800 CG GLU A 57 5.675 -10.807 4.113 1.00 0.00 C ATOM 801 CD GLU A 57 6.765 -11.809 3.783 1.00 0.00 C ATOM 802 OE1 GLU A 57 7.631 -12.047 4.651 1.00 0.00 O ATOM 803 OE2 GLU A 57 6.750 -12.355 2.661 1.00 0.00 O ATOM 0 H GLU A 57 6.055 -8.046 6.386 1.00 0.00 H new ATOM 0 HA GLU A 57 8.028 -9.574 4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.237 -8.720 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.477 -9.284 2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.387 -10.920 5.158 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.791 -11.026 3.513 1.00 0.00 H new ATOM 810 N PRO A 58 8.804 -7.489 3.652 1.00 0.00 N ATOM 811 CA PRO A 58 9.409 -6.249 3.157 1.00 0.00 C ATOM 812 C PRO A 58 8.564 -5.583 2.076 1.00 0.00 C ATOM 813 O PRO A 58 7.620 -6.179 1.558 1.00 0.00 O ATOM 814 CB PRO A 58 10.748 -6.713 2.579 1.00 0.00 C ATOM 815 CG PRO A 58 10.531 -8.143 2.221 1.00 0.00 C ATOM 816 CD PRO A 58 9.563 -8.681 3.238 1.00 0.00 C ATOM 0 HA PRO A 58 9.506 -5.501 3.944 1.00 0.00 H new ATOM 0 HB2 PRO A 58 11.027 -6.124 1.705 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.552 -6.605 3.307 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.129 -8.236 1.212 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.469 -8.698 2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.912 -9.443 2.809 1.00 0.00 H new ATOM 0 HD3 PRO A 58 10.080 -9.141 4.080 1.00 0.00 H new ATOM 824 N VAL A 59 8.910 -4.344 1.741 1.00 0.00 N ATOM 825 CA VAL A 59 8.184 -3.597 0.720 1.00 0.00 C ATOM 826 C VAL A 59 9.132 -2.747 -0.117 1.00 0.00 C ATOM 827 O VAL A 59 10.185 -2.323 0.358 1.00 0.00 O ATOM 828 CB VAL A 59 7.112 -2.686 1.347 1.00 0.00 C ATOM 829 CG1 VAL A 59 6.285 -2.011 0.264 1.00 0.00 C ATOM 830 CG2 VAL A 59 6.222 -3.481 2.291 1.00 0.00 C ATOM 0 H VAL A 59 9.688 -3.836 2.162 1.00 0.00 H new ATOM 0 HA VAL A 59 7.696 -4.330 0.078 1.00 0.00 H new ATOM 0 HB VAL A 59 7.613 -1.910 1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.533 -1.371 0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.936 -1.407 -0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.792 -2.770 -0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.471 -2.821 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.728 -4.280 1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.829 -3.912 3.087 1.00 0.00 H new ATOM 840 N ASN A 60 8.751 -2.501 -1.366 1.00 0.00 N ATOM 841 CA ASN A 60 9.568 -1.701 -2.272 1.00 0.00 C ATOM 842 C ASN A 60 9.031 -0.277 -2.373 1.00 0.00 C ATOM 843 O ASN A 60 7.821 -0.062 -2.447 1.00 0.00 O ATOM 844 CB ASN A 60 9.608 -2.344 -3.659 1.00 0.00 C ATOM 845 CG ASN A 60 10.333 -1.481 -4.674 1.00 0.00 C ATOM 846 OD1 ASN A 60 11.558 -1.533 -4.787 1.00 0.00 O ATOM 847 ND2 ASN A 60 9.579 -0.683 -5.419 1.00 0.00 N ATOM 0 H ASN A 60 7.882 -2.844 -1.774 1.00 0.00 H new ATOM 0 HA ASN A 60 10.580 -1.661 -1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.100 -3.314 -3.593 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.589 -2.526 -4.002 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.011 -0.080 -6.119 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.567 -0.672 -5.292 1.00 0.00 H new ATOM 854 N VAL A 61 9.939 0.694 -2.378 1.00 0.00 N ATOM 855 CA VAL A 61 9.558 2.098 -2.473 1.00 0.00 C ATOM 856 C VAL A 61 10.409 2.831 -3.503 1.00 0.00 C ATOM 857 O VAL A 61 11.611 3.015 -3.313 1.00 0.00 O ATOM 858 CB VAL A 61 9.691 2.809 -1.113 1.00 0.00 C ATOM 859 CG1 VAL A 61 11.098 2.644 -0.561 1.00 0.00 C ATOM 860 CG2 VAL A 61 9.331 4.281 -1.245 1.00 0.00 C ATOM 0 H VAL A 61 10.944 0.534 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 61 8.514 2.122 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 61 8.995 2.349 -0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.174 3.153 0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.315 1.584 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.815 3.077 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.430 4.768 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 61 10.002 4.757 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.303 4.374 -1.594 1.00 0.00 H new ATOM 870 N VAL A 62 9.777 3.247 -4.596 1.00 0.00 N ATOM 871 CA VAL A 62 10.476 3.962 -5.658 1.00 0.00 C ATOM 872 C VAL A 62 9.693 5.194 -6.099 1.00 0.00 C ATOM 873 O VAL A 62 8.509 5.106 -6.423 1.00 0.00 O ATOM 874 CB VAL A 62 10.717 3.057 -6.880 1.00 0.00 C ATOM 875 CG1 VAL A 62 11.439 3.822 -7.978 1.00 0.00 C ATOM 876 CG2 VAL A 62 11.503 1.818 -6.478 1.00 0.00 C ATOM 0 H VAL A 62 8.782 3.101 -4.769 1.00 0.00 H new ATOM 0 HA VAL A 62 11.438 4.273 -5.250 1.00 0.00 H new ATOM 0 HB VAL A 62 9.750 2.737 -7.269 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.600 3.166 -8.833 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.834 4.676 -8.285 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.401 4.174 -7.604 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.664 1.189 -7.354 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.466 2.117 -6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 62 10.943 1.259 -5.729 1.00 0.00 H new ATOM 886 N ASP A 63 10.363 6.341 -6.108 1.00 0.00 N ATOM 887 CA ASP A 63 9.731 7.592 -6.510 1.00 0.00 C ATOM 888 C ASP A 63 9.756 7.750 -8.028 1.00 0.00 C ATOM 889 O ASP A 63 10.795 7.579 -8.662 1.00 0.00 O ATOM 890 CB ASP A 63 10.434 8.779 -5.851 1.00 0.00 C ATOM 891 CG ASP A 63 10.055 10.102 -6.486 1.00 0.00 C ATOM 892 OD1 ASP A 63 8.844 10.400 -6.563 1.00 0.00 O ATOM 893 OD2 ASP A 63 10.970 10.842 -6.905 1.00 0.00 O ATOM 0 H ASP A 63 11.344 6.430 -5.842 1.00 0.00 H new ATOM 0 HA ASP A 63 8.692 7.567 -6.181 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.183 8.803 -4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.513 8.642 -5.920 1.00 0.00 H new ATOM 898 N ASN A 64 8.603 8.076 -8.603 1.00 0.00 N ATOM 899 CA ASN A 64 8.492 8.255 -10.046 1.00 0.00 C ATOM 900 C ASN A 64 9.176 9.545 -10.489 1.00 0.00 C ATOM 901 O ASN A 64 9.927 9.559 -11.462 1.00 0.00 O ATOM 902 CB ASN A 64 7.021 8.273 -10.467 1.00 0.00 C ATOM 903 CG ASN A 64 6.348 6.929 -10.276 1.00 0.00 C ATOM 904 OD1 ASN A 64 6.121 6.194 -11.236 1.00 0.00 O ATOM 905 ND2 ASN A 64 6.024 6.601 -9.030 1.00 0.00 N ATOM 0 H ASN A 64 7.732 8.222 -8.092 1.00 0.00 H new ATOM 0 HA ASN A 64 8.991 7.416 -10.530 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.489 9.028 -9.887 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.949 8.566 -11.514 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.568 5.709 -8.840 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.231 7.242 -8.264 1.00 0.00 H new ATOM 912 N GLY A 65 8.910 10.628 -9.765 1.00 0.00 N ATOM 913 CA GLY A 65 9.507 11.908 -10.097 1.00 0.00 C ATOM 914 C GLY A 65 8.475 12.942 -10.501 1.00 0.00 C ATOM 915 O GLY A 65 8.728 14.144 -10.422 1.00 0.00 O ATOM 0 H GLY A 65 8.291 10.641 -8.954 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.069 12.277 -9.239 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.219 11.773 -10.911 1.00 0.00 H new ATOM 919 N ASP A 66 7.311 12.474 -10.936 1.00 0.00 N ATOM 920 CA ASP A 66 6.237 13.368 -11.355 1.00 0.00 C ATOM 921 C ASP A 66 5.352 13.746 -10.171 1.00 0.00 C ATOM 922 O ASP A 66 4.933 14.895 -10.039 1.00 0.00 O ATOM 923 CB ASP A 66 5.394 12.709 -12.448 1.00 0.00 C ATOM 924 CG ASP A 66 6.046 12.795 -13.813 1.00 0.00 C ATOM 925 OD1 ASP A 66 6.858 13.720 -14.026 1.00 0.00 O ATOM 926 OD2 ASP A 66 5.745 11.938 -14.670 1.00 0.00 O ATOM 0 H ASP A 66 7.086 11.482 -11.008 1.00 0.00 H new ATOM 0 HA ASP A 66 6.688 14.277 -11.753 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.228 11.662 -12.193 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.415 13.187 -12.485 1.00 0.00 H new ATOM 931 N GLY A 67 5.071 12.770 -9.313 1.00 0.00 N ATOM 932 CA GLY A 67 4.236 13.020 -8.153 1.00 0.00 C ATOM 933 C GLY A 67 3.587 11.757 -7.622 1.00 0.00 C ATOM 934 O GLY A 67 2.460 11.790 -7.126 1.00 0.00 O ATOM 0 H GLY A 67 5.407 11.811 -9.401 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.839 13.473 -7.366 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.461 13.740 -8.416 1.00 0.00 H new ATOM 938 N THR A 68 4.298 10.639 -7.728 1.00 0.00 N ATOM 939 CA THR A 68 3.783 9.359 -7.258 1.00 0.00 C ATOM 940 C THR A 68 4.915 8.445 -6.805 1.00 0.00 C ATOM 941 O THR A 68 6.092 8.782 -6.940 1.00 0.00 O ATOM 942 CB THR A 68 2.968 8.645 -8.353 1.00 0.00 C ATOM 943 OG1 THR A 68 3.811 8.339 -9.469 1.00 0.00 O ATOM 944 CG2 THR A 68 1.803 9.509 -8.811 1.00 0.00 C ATOM 0 H THR A 68 5.232 10.594 -8.135 1.00 0.00 H new ATOM 0 HA THR A 68 3.131 9.572 -6.411 1.00 0.00 H new ATOM 0 HB THR A 68 2.570 7.720 -7.935 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.286 7.884 -10.160 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.242 8.984 -9.584 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.148 9.715 -7.964 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.183 10.448 -9.213 1.00 0.00 H new ATOM 952 N HIS A 69 4.553 7.284 -6.267 1.00 0.00 N ATOM 953 CA HIS A 69 5.540 6.319 -5.793 1.00 0.00 C ATOM 954 C HIS A 69 5.040 4.891 -5.991 1.00 0.00 C ATOM 955 O HIS A 69 3.957 4.531 -5.530 1.00 0.00 O ATOM 956 CB HIS A 69 5.856 6.562 -4.318 1.00 0.00 C ATOM 957 CG HIS A 69 6.171 7.991 -4.000 1.00 0.00 C ATOM 958 ND1 HIS A 69 7.368 8.393 -3.447 1.00 0.00 N ATOM 959 CD2 HIS A 69 5.437 9.117 -4.164 1.00 0.00 C ATOM 960 CE1 HIS A 69 7.357 9.703 -3.282 1.00 0.00 C ATOM 961 NE2 HIS A 69 6.196 10.168 -3.709 1.00 0.00 N ATOM 0 H HIS A 69 3.584 6.989 -6.148 1.00 0.00 H new ATOM 0 HA HIS A 69 6.451 6.451 -6.377 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.005 6.243 -3.716 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.702 5.939 -4.029 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.440 9.178 -4.576 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.161 10.294 -2.868 1.00 0.00 H new ATOM 0 HE2 HIS A 69 5.910 11.147 -3.702 1.00 0.00 H new ATOM 970 N THR A 70 5.837 4.080 -6.680 1.00 0.00 N ATOM 971 CA THR A 70 5.476 2.693 -6.940 1.00 0.00 C ATOM 972 C THR A 70 5.889 1.791 -5.782 1.00 0.00 C ATOM 973 O THR A 70 6.955 1.970 -5.191 1.00 0.00 O ATOM 974 CB THR A 70 6.127 2.175 -8.237 1.00 0.00 C ATOM 975 OG1 THR A 70 5.574 2.857 -9.368 1.00 0.00 O ATOM 976 CG2 THR A 70 5.916 0.676 -8.388 1.00 0.00 C ATOM 0 H THR A 70 6.737 4.361 -7.068 1.00 0.00 H new ATOM 0 HA THR A 70 4.392 2.665 -7.051 1.00 0.00 H new ATOM 0 HB THR A 70 7.198 2.370 -8.183 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.994 2.524 -10.188 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.384 0.334 -9.311 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.364 0.158 -7.540 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.848 0.460 -8.422 1.00 0.00 H new ATOM 984 N VAL A 71 5.041 0.818 -5.463 1.00 0.00 N ATOM 985 CA VAL A 71 5.319 -0.114 -4.376 1.00 0.00 C ATOM 986 C VAL A 71 5.106 -1.555 -4.822 1.00 0.00 C ATOM 987 O VAL A 71 3.970 -2.015 -4.952 1.00 0.00 O ATOM 988 CB VAL A 71 4.431 0.172 -3.151 1.00 0.00 C ATOM 989 CG1 VAL A 71 4.758 -0.790 -2.019 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.592 1.616 -2.700 1.00 0.00 C ATOM 0 H VAL A 71 4.155 0.655 -5.942 1.00 0.00 H new ATOM 0 HA VAL A 71 6.363 0.026 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 71 3.390 0.020 -3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.121 -0.573 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.585 -1.814 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.803 -0.673 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.957 1.799 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.633 1.800 -2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.302 2.285 -3.510 1.00 0.00 H new ATOM 1000 N THR A 72 6.205 -2.266 -5.054 1.00 0.00 N ATOM 1001 CA THR A 72 6.138 -3.657 -5.485 1.00 0.00 C ATOM 1002 C THR A 72 6.297 -4.607 -4.303 1.00 0.00 C ATOM 1003 O THR A 72 7.168 -4.419 -3.455 1.00 0.00 O ATOM 1004 CB THR A 72 7.224 -3.973 -6.530 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.511 -3.592 -6.032 1.00 0.00 O ATOM 1006 CG2 THR A 72 6.944 -3.245 -7.837 1.00 0.00 C ATOM 0 H THR A 72 7.152 -1.902 -4.951 1.00 0.00 H new ATOM 0 HA THR A 72 5.156 -3.802 -5.935 1.00 0.00 H new ATOM 0 HB THR A 72 7.213 -5.046 -6.720 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.195 -3.798 -6.703 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.724 -3.483 -8.560 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.977 -3.560 -8.229 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.930 -2.170 -7.659 1.00 0.00 H new ATOM 1014 N TYR A 73 5.449 -5.629 -4.254 1.00 0.00 N ATOM 1015 CA TYR A 73 5.493 -6.608 -3.174 1.00 0.00 C ATOM 1016 C TYR A 73 4.894 -7.938 -3.620 1.00 0.00 C ATOM 1017 O TYR A 73 4.370 -8.057 -4.728 1.00 0.00 O ATOM 1018 CB TYR A 73 4.744 -6.083 -1.949 1.00 0.00 C ATOM 1019 CG TYR A 73 3.257 -6.359 -1.985 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.739 -7.550 -1.493 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.370 -5.426 -2.510 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.382 -7.807 -1.524 1.00 0.00 C ATOM 1023 CE2 TYR A 73 1.011 -5.674 -2.545 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.523 -6.865 -2.051 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.830 -7.116 -2.083 1.00 0.00 O ATOM 0 H TYR A 73 4.723 -5.801 -4.950 1.00 0.00 H new ATOM 0 HA TYR A 73 6.538 -6.771 -2.909 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.168 -6.536 -1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.904 -5.008 -1.869 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.409 -8.289 -1.079 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.749 -4.492 -2.897 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.996 -8.739 -1.138 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.335 -4.939 -2.957 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.295 -6.352 -2.484 1.00 0.00 H new ATOM 1035 N THR A 74 4.974 -8.938 -2.747 1.00 0.00 N ATOM 1036 CA THR A 74 4.441 -10.261 -3.049 1.00 0.00 C ATOM 1037 C THR A 74 4.016 -10.985 -1.777 1.00 0.00 C ATOM 1038 O THR A 74 4.830 -11.278 -0.900 1.00 0.00 O ATOM 1039 CB THR A 74 5.473 -11.124 -3.799 1.00 0.00 C ATOM 1040 OG1 THR A 74 5.872 -10.470 -5.008 1.00 0.00 O ATOM 1041 CG2 THR A 74 4.896 -12.495 -4.124 1.00 0.00 C ATOM 0 H THR A 74 5.403 -8.857 -1.825 1.00 0.00 H new ATOM 0 HA THR A 74 3.570 -10.114 -3.688 1.00 0.00 H new ATOM 0 HB THR A 74 6.342 -11.256 -3.154 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.529 -11.024 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.642 -13.087 -4.654 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.620 -13.002 -3.199 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.013 -12.378 -4.752 1.00 0.00 H new ATOM 1049 N PRO A 75 2.714 -11.284 -1.672 1.00 0.00 N ATOM 1050 CA PRO A 75 2.152 -11.981 -0.511 1.00 0.00 C ATOM 1051 C PRO A 75 2.592 -13.439 -0.441 1.00 0.00 C ATOM 1052 O PRO A 75 2.022 -14.303 -1.107 1.00 0.00 O ATOM 1053 CB PRO A 75 0.641 -11.889 -0.740 1.00 0.00 C ATOM 1054 CG PRO A 75 0.489 -11.745 -2.214 1.00 0.00 C ATOM 1055 CD PRO A 75 1.687 -10.967 -2.680 1.00 0.00 C ATOM 0 HA PRO A 75 2.483 -11.539 0.429 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.130 -12.780 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.212 -11.037 -0.213 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.444 -12.720 -2.699 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.435 -11.223 -2.462 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.998 -11.270 -3.680 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.481 -9.898 -2.721 1.00 0.00 H new ATOM 1063 N SER A 76 3.611 -13.705 0.371 1.00 0.00 N ATOM 1064 CA SER A 76 4.130 -15.060 0.526 1.00 0.00 C ATOM 1065 C SER A 76 3.007 -16.088 0.421 1.00 0.00 C ATOM 1066 O SER A 76 3.023 -16.951 -0.455 1.00 0.00 O ATOM 1067 CB SER A 76 4.845 -15.203 1.870 1.00 0.00 C ATOM 1068 OG SER A 76 5.848 -16.203 1.811 1.00 0.00 O ATOM 0 H SER A 76 4.093 -13.002 0.931 1.00 0.00 H new ATOM 0 HA SER A 76 4.843 -15.244 -0.278 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.294 -14.250 2.150 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.121 -15.455 2.645 1.00 0.00 H new ATOM 0 HG SER A 76 6.291 -16.274 2.682 1.00 0.00 H new ATOM 1074 N GLN A 77 2.035 -15.987 1.322 1.00 0.00 N ATOM 1075 CA GLN A 77 0.905 -16.907 1.332 1.00 0.00 C ATOM 1076 C GLN A 77 -0.416 -16.147 1.328 1.00 0.00 C ATOM 1077 O GLN A 77 -0.454 -14.948 1.605 1.00 0.00 O ATOM 1078 CB GLN A 77 0.977 -17.822 2.555 1.00 0.00 C ATOM 1079 CG GLN A 77 0.769 -17.094 3.874 1.00 0.00 C ATOM 1080 CD GLN A 77 1.491 -17.760 5.028 1.00 0.00 C ATOM 1081 OE1 GLN A 77 2.423 -18.540 4.827 1.00 0.00 O ATOM 1082 NE2 GLN A 77 1.064 -17.455 6.249 1.00 0.00 N ATOM 0 H GLN A 77 2.008 -15.277 2.054 1.00 0.00 H new ATOM 0 HA GLN A 77 0.956 -17.515 0.429 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.223 -18.604 2.458 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.948 -18.316 2.572 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.119 -16.066 3.776 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.297 -17.048 4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.288 -16.804 6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.512 -17.872 7.065 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.498 -16.852 1.011 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.822 -16.241 0.970 1.00 0.00 C ATOM 1093 C GLU A 78 -3.331 -15.950 2.380 1.00 0.00 C ATOM 1094 O GLU A 78 -2.768 -16.424 3.365 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.807 -17.156 0.240 1.00 0.00 C ATOM 1096 CG GLU A 78 -4.097 -18.452 0.978 1.00 0.00 C ATOM 1097 CD GLU A 78 -5.469 -19.013 0.656 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -6.459 -18.263 0.778 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -5.551 -20.201 0.281 1.00 0.00 O ATOM 0 H GLU A 78 -1.484 -17.845 0.779 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.743 -15.298 0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.743 -16.619 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.408 -17.391 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.337 -19.190 0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.022 -18.279 2.052 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.400 -15.164 2.465 1.00 0.00 N ATOM 1107 CA GLY A 79 -4.967 -14.822 3.757 1.00 0.00 C ATOM 1108 C GLY A 79 -5.244 -13.337 3.893 1.00 0.00 C ATOM 1109 O GLY A 79 -4.853 -12.531 3.049 1.00 0.00 O ATOM 0 H GLY A 79 -4.883 -14.758 1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.894 -15.376 3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.282 -15.135 4.545 1.00 0.00 H new ATOM 1113 N PRO A 80 -5.936 -12.958 4.977 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.282 -11.559 5.246 1.00 0.00 C ATOM 1115 C PRO A 80 -5.063 -10.720 5.611 1.00 0.00 C ATOM 1116 O PRO A 80 -4.674 -10.645 6.776 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.242 -11.653 6.436 1.00 0.00 C ATOM 1118 CG PRO A 80 -6.879 -12.929 7.114 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.434 -13.865 6.025 1.00 0.00 C ATOM 0 HA PRO A 80 -6.712 -11.071 4.371 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.126 -10.801 7.106 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.281 -11.661 6.107 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.083 -12.771 7.842 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.731 -13.339 7.657 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.655 -14.544 6.372 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.257 -14.482 5.664 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.463 -10.089 4.607 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.286 -9.257 4.822 1.00 0.00 C ATOM 1129 C TYR A 81 -3.686 -7.824 5.163 1.00 0.00 C ATOM 1130 O TYR A 81 -4.863 -7.470 5.119 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.394 -9.266 3.579 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.349 -10.360 3.592 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.714 -11.695 3.722 1.00 0.00 C ATOM 1134 CD2 TYR A 81 0.003 -10.058 3.476 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -0.763 -12.697 3.734 1.00 0.00 C ATOM 1136 CE2 TYR A 81 0.960 -11.054 3.487 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.572 -12.371 3.616 1.00 0.00 C ATOM 1138 OH TYR A 81 1.523 -13.365 3.628 1.00 0.00 O ATOM 0 H TYR A 81 -4.773 -10.138 3.636 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.730 -9.671 5.663 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.019 -9.383 2.694 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.896 -8.300 3.492 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.759 -11.953 3.815 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.310 -9.027 3.376 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.063 -13.730 3.835 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.006 -10.803 3.395 1.00 0.00 H new ATOM 0 HH TYR A 81 2.414 -12.967 3.534 1.00 0.00 H new ATOM 1148 N MET A 82 -2.696 -7.005 5.501 1.00 0.00 N ATOM 1149 CA MET A 82 -2.944 -5.610 5.848 1.00 0.00 C ATOM 1150 C MET A 82 -1.762 -4.732 5.448 1.00 0.00 C ATOM 1151 O MET A 82 -0.653 -4.899 5.954 1.00 0.00 O ATOM 1152 CB MET A 82 -3.209 -5.475 7.349 1.00 0.00 C ATOM 1153 CG MET A 82 -3.605 -4.070 7.771 1.00 0.00 C ATOM 1154 SD MET A 82 -4.486 -4.040 9.344 1.00 0.00 S ATOM 1155 CE MET A 82 -3.145 -3.690 10.478 1.00 0.00 C ATOM 0 H MET A 82 -1.715 -7.282 5.542 1.00 0.00 H new ATOM 0 HA MET A 82 -3.825 -5.276 5.299 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.001 -6.168 7.634 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.314 -5.771 7.896 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.710 -3.452 7.848 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.233 -3.626 6.999 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.290 -4.256 11.398 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.198 -3.976 10.021 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.130 -2.624 10.706 1.00 0.00 H new ATOM 1165 N VAL A 83 -2.008 -3.798 4.535 1.00 0.00 N ATOM 1166 CA VAL A 83 -0.964 -2.893 4.067 1.00 0.00 C ATOM 1167 C VAL A 83 -1.134 -1.502 4.667 1.00 0.00 C ATOM 1168 O VAL A 83 -1.906 -0.687 4.163 1.00 0.00 O ATOM 1169 CB VAL A 83 -0.965 -2.781 2.530 1.00 0.00 C ATOM 1170 CG1 VAL A 83 0.101 -1.801 2.066 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -0.758 -4.149 1.897 1.00 0.00 C ATOM 0 H VAL A 83 -2.921 -3.648 4.105 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.012 -3.312 4.392 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.936 -2.402 2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.086 -1.735 0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.098 -0.818 2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.081 -2.147 2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.761 -4.052 0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.198 -4.559 2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.562 -4.817 2.204 1.00 0.00 H new ATOM 1181 N SER A 84 -0.405 -1.237 5.747 1.00 0.00 N ATOM 1182 CA SER A 84 -0.476 0.056 6.419 1.00 0.00 C ATOM 1183 C SER A 84 0.346 1.102 5.673 1.00 0.00 C ATOM 1184 O SER A 84 1.398 0.797 5.110 1.00 0.00 O ATOM 1185 CB SER A 84 0.021 -0.067 7.860 1.00 0.00 C ATOM 1186 OG SER A 84 0.289 1.208 8.417 1.00 0.00 O ATOM 0 H SER A 84 0.241 -1.900 6.175 1.00 0.00 H new ATOM 0 HA SER A 84 -1.518 0.377 6.427 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.727 -0.581 8.463 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.925 -0.676 7.886 1.00 0.00 H new ATOM 0 HG SER A 84 0.604 1.103 9.339 1.00 0.00 H new ATOM 1192 N VAL A 85 -0.142 2.339 5.671 1.00 0.00 N ATOM 1193 CA VAL A 85 0.546 3.431 4.996 1.00 0.00 C ATOM 1194 C VAL A 85 0.490 4.712 5.822 1.00 0.00 C ATOM 1195 O VAL A 85 -0.556 5.066 6.367 1.00 0.00 O ATOM 1196 CB VAL A 85 -0.060 3.704 3.606 1.00 0.00 C ATOM 1197 CG1 VAL A 85 0.702 4.813 2.898 1.00 0.00 C ATOM 1198 CG2 VAL A 85 -0.067 2.433 2.771 1.00 0.00 C ATOM 0 H VAL A 85 -1.012 2.609 6.130 1.00 0.00 H new ATOM 0 HA VAL A 85 1.585 3.123 4.878 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.091 4.033 3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.259 4.991 1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.650 5.726 3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.744 4.518 2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.498 2.643 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.954 2.073 2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.662 1.671 3.274 1.00 0.00 H new ATOM 1208 N LYS A 86 1.621 5.402 5.912 1.00 0.00 N ATOM 1209 CA LYS A 86 1.702 6.644 6.670 1.00 0.00 C ATOM 1210 C LYS A 86 2.265 7.772 5.810 1.00 0.00 C ATOM 1211 O LYS A 86 2.759 7.536 4.708 1.00 0.00 O ATOM 1212 CB LYS A 86 2.576 6.451 7.912 1.00 0.00 C ATOM 1213 CG LYS A 86 2.165 7.323 9.086 1.00 0.00 C ATOM 1214 CD LYS A 86 2.895 6.925 10.359 1.00 0.00 C ATOM 1215 CE LYS A 86 2.274 7.579 11.584 1.00 0.00 C ATOM 1216 NZ LYS A 86 3.280 7.806 12.659 1.00 0.00 N ATOM 0 H LYS A 86 2.496 5.122 5.469 1.00 0.00 H new ATOM 0 HA LYS A 86 0.693 6.917 6.981 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.536 5.405 8.215 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.613 6.668 7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.376 8.367 8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.089 7.242 9.242 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.869 5.841 10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.944 7.213 10.284 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.825 8.531 11.300 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.471 6.948 11.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.938 7.389 13.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.181 7.360 12.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.425 8.828 12.789 1.00 0.00 H new ATOM 1230 N TYR A 87 2.187 8.995 6.322 1.00 0.00 N ATOM 1231 CA TYR A 87 2.686 10.159 5.600 1.00 0.00 C ATOM 1232 C TYR A 87 3.035 11.289 6.563 1.00 0.00 C ATOM 1233 O TYR A 87 2.172 11.804 7.272 1.00 0.00 O ATOM 1234 CB TYR A 87 1.649 10.641 4.585 1.00 0.00 C ATOM 1235 CG TYR A 87 2.250 11.351 3.394 1.00 0.00 C ATOM 1236 CD1 TYR A 87 2.921 10.643 2.405 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.149 12.730 3.258 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.473 11.287 1.314 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.696 13.383 2.171 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.357 12.658 1.202 1.00 0.00 C ATOM 1241 OH TYR A 87 3.906 13.305 0.118 1.00 0.00 O ATOM 0 H TYR A 87 1.783 9.206 7.234 1.00 0.00 H new ATOM 0 HA TYR A 87 3.592 9.864 5.070 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.072 9.785 4.234 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.951 11.313 5.083 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.013 9.570 2.490 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.634 13.301 4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.992 10.721 0.554 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.607 14.455 2.080 1.00 0.00 H new ATOM 0 HH TYR A 87 4.880 13.348 0.222 1.00 0.00 H new ATOM 1251 N ALA A 88 4.308 11.670 6.582 1.00 0.00 N ATOM 1252 CA ALA A 88 4.773 12.740 7.455 1.00 0.00 C ATOM 1253 C ALA A 88 4.456 12.435 8.915 1.00 0.00 C ATOM 1254 O ALA A 88 4.217 13.342 9.711 1.00 0.00 O ATOM 1255 CB ALA A 88 4.148 14.066 7.043 1.00 0.00 C ATOM 0 H ALA A 88 5.036 11.253 6.002 1.00 0.00 H new ATOM 0 HA ALA A 88 5.856 12.813 7.354 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.504 14.857 7.703 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.429 14.297 6.016 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.063 13.995 7.115 1.00 0.00 H new ATOM 1261 N ASP A 89 4.456 11.152 9.259 1.00 0.00 N ATOM 1262 CA ASP A 89 4.168 10.726 10.624 1.00 0.00 C ATOM 1263 C ASP A 89 2.679 10.855 10.931 1.00 0.00 C ATOM 1264 O ASP A 89 2.292 11.120 12.069 1.00 0.00 O ATOM 1265 CB ASP A 89 4.981 11.554 11.621 1.00 0.00 C ATOM 1266 CG ASP A 89 5.262 10.800 12.906 1.00 0.00 C ATOM 1267 OD1 ASP A 89 6.054 9.834 12.867 1.00 0.00 O ATOM 1268 OD2 ASP A 89 4.691 11.176 13.951 1.00 0.00 O ATOM 0 H ASP A 89 4.652 10.389 8.612 1.00 0.00 H new ATOM 0 HA ASP A 89 4.450 9.677 10.719 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.925 11.847 11.161 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.441 12.472 11.852 1.00 0.00 H new ATOM 1273 N GLU A 90 1.850 10.668 9.909 1.00 0.00 N ATOM 1274 CA GLU A 90 0.404 10.766 10.070 1.00 0.00 C ATOM 1275 C GLU A 90 -0.309 9.711 9.231 1.00 0.00 C ATOM 1276 O GLU A 90 -0.379 9.820 8.007 1.00 0.00 O ATOM 1277 CB GLU A 90 -0.081 12.162 9.676 1.00 0.00 C ATOM 1278 CG GLU A 90 0.464 13.270 10.562 1.00 0.00 C ATOM 1279 CD GLU A 90 -0.488 14.444 10.681 1.00 0.00 C ATOM 1280 OE1 GLU A 90 -1.443 14.356 11.479 1.00 0.00 O ATOM 1281 OE2 GLU A 90 -0.277 15.451 9.973 1.00 0.00 O ATOM 0 H GLU A 90 2.155 10.448 8.961 1.00 0.00 H new ATOM 0 HA GLU A 90 0.167 10.590 11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.207 12.359 8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.170 12.182 9.712 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.666 12.869 11.555 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.415 13.618 10.159 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.838 8.689 9.898 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.544 7.614 9.213 1.00 0.00 C ATOM 1290 C GLU A 91 -2.652 8.171 8.323 1.00 0.00 C ATOM 1291 O GLU A 91 -3.619 8.756 8.811 1.00 0.00 O ATOM 1292 CB GLU A 91 -2.136 6.634 10.228 1.00 0.00 C ATOM 1293 CG GLU A 91 -1.234 5.447 10.525 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.545 4.800 11.860 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -1.891 5.533 12.811 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -1.442 3.558 11.956 1.00 0.00 O ATOM 0 H GLU A 91 -0.790 8.584 10.911 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.827 7.086 8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.341 7.166 11.157 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.092 6.268 9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.341 4.706 9.732 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.194 5.774 10.517 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.501 7.986 7.016 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.488 8.469 6.058 1.00 0.00 C ATOM 1305 C ILE A 92 -4.885 7.968 6.408 1.00 0.00 C ATOM 1306 O ILE A 92 -5.059 6.916 7.023 1.00 0.00 O ATOM 1307 CB ILE A 92 -3.142 8.030 4.622 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -3.146 6.504 4.518 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.790 8.592 4.210 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -3.123 5.996 3.093 1.00 0.00 C ATOM 0 H ILE A 92 -1.705 7.505 6.596 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.471 9.558 6.110 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.899 8.423 3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.280 6.109 5.050 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.033 6.116 5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.558 8.274 3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.821 9.681 4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.021 8.225 4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.127 4.906 3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.002 6.361 2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.223 6.354 2.593 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.908 8.737 6.005 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.309 8.389 6.262 1.00 0.00 C ATOM 1324 C PRO A 93 -7.766 7.185 5.447 1.00 0.00 C ATOM 1325 O PRO A 93 -8.938 6.808 5.483 1.00 0.00 O ATOM 1326 CB PRO A 93 -8.070 9.646 5.833 1.00 0.00 C ATOM 1327 CG PRO A 93 -7.184 10.303 4.832 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.775 10.004 5.267 1.00 0.00 C ATOM 0 HA PRO A 93 -7.475 8.107 7.302 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -9.038 9.394 5.400 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.262 10.302 6.682 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.373 9.917 3.830 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.362 11.378 4.799 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.104 9.904 4.414 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.372 10.796 5.898 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.835 6.583 4.715 1.00 0.00 N ATOM 1337 CA ARG A 94 -7.144 5.421 3.891 1.00 0.00 C ATOM 1338 C ARG A 94 -6.395 4.188 4.387 1.00 0.00 C ATOM 1339 O ARG A 94 -6.512 3.105 3.815 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.784 5.695 2.429 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.685 6.720 1.762 1.00 0.00 C ATOM 1342 CD ARG A 94 -8.889 6.061 1.106 1.00 0.00 C ATOM 1343 NE ARG A 94 -9.588 6.972 0.204 1.00 0.00 N ATOM 1344 CZ ARG A 94 -10.509 6.579 -0.669 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -10.841 5.298 -0.755 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -11.101 7.468 -1.456 1.00 0.00 N ATOM 0 H ARG A 94 -5.860 6.881 4.676 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.214 5.229 3.965 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.752 6.042 2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.835 4.761 1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.024 7.445 2.502 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.118 7.272 1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.563 5.181 0.551 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.578 5.715 1.877 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.356 7.964 0.247 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.389 4.612 -0.150 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.548 4.998 -1.426 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.849 8.454 -1.391 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.808 7.165 -2.126 1.00 0.00 H new ATOM 1360 N SER A 95 -5.625 4.360 5.457 1.00 0.00 N ATOM 1361 CA SER A 95 -4.853 3.263 6.029 1.00 0.00 C ATOM 1362 C SER A 95 -5.353 2.919 7.429 1.00 0.00 C ATOM 1363 O SER A 95 -5.911 3.756 8.139 1.00 0.00 O ATOM 1364 CB SER A 95 -3.369 3.628 6.081 1.00 0.00 C ATOM 1365 OG SER A 95 -2.730 3.013 7.186 1.00 0.00 O ATOM 0 H SER A 95 -5.519 5.249 5.945 1.00 0.00 H new ATOM 0 HA SER A 95 -4.982 2.389 5.391 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.882 3.317 5.157 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.260 4.710 6.150 1.00 0.00 H new ATOM 0 HG SER A 95 -1.998 3.584 7.500 1.00 0.00 H new ATOM 1371 N PRO A 96 -5.150 1.657 7.835 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.487 0.653 6.998 1.00 0.00 C ATOM 1373 C PRO A 96 -5.344 0.235 5.808 1.00 0.00 C ATOM 1374 O PRO A 96 -6.469 0.707 5.643 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.285 -0.526 7.952 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.349 -0.368 8.983 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.550 1.114 9.144 1.00 0.00 C ATOM 0 HA PRO A 96 -3.561 1.030 6.563 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.379 -1.478 7.430 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.292 -0.505 8.402 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.272 -0.856 8.670 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -5.051 -0.826 9.926 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.586 1.356 9.379 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.938 1.517 9.950 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.804 -0.654 4.980 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.519 -1.136 3.804 1.00 0.00 C ATOM 1387 C PHE A 97 -5.775 -2.638 3.900 1.00 0.00 C ATOM 1388 O PHE A 97 -4.840 -3.436 3.951 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.725 -0.823 2.535 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.695 0.639 2.191 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -3.744 1.475 2.752 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -5.616 1.176 1.306 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -3.715 2.822 2.439 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -5.592 2.520 0.989 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.638 3.344 1.555 1.00 0.00 C ATOM 0 H PHE A 97 -3.874 -1.055 5.102 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.480 -0.624 3.759 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.703 -1.180 2.659 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.157 -1.376 1.700 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.017 1.071 3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.362 0.536 0.859 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.971 3.465 2.886 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.318 2.926 0.300 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.614 4.395 1.306 1.00 0.00 H new ATOM 1405 N LYS A 98 -7.049 -3.014 3.927 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.431 -4.419 4.017 1.00 0.00 C ATOM 1407 C LYS A 98 -7.302 -5.104 2.661 1.00 0.00 C ATOM 1408 O LYS A 98 -8.038 -4.795 1.724 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.867 -4.546 4.529 1.00 0.00 C ATOM 1410 CG LYS A 98 -9.052 -4.047 5.953 1.00 0.00 C ATOM 1411 CD LYS A 98 -10.513 -3.771 6.262 1.00 0.00 C ATOM 1412 CE LYS A 98 -10.697 -3.274 7.688 1.00 0.00 C ATOM 1413 NZ LYS A 98 -10.332 -1.836 7.824 1.00 0.00 N ATOM 0 H LYS A 98 -7.835 -2.365 3.888 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.757 -4.910 4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.530 -3.988 3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.171 -5.591 4.477 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.665 -4.788 6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.470 -3.137 6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.900 -3.028 5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.095 -4.681 6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.734 -3.416 7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.083 -3.870 8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.471 -1.534 8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.335 -1.704 7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.935 -1.264 7.199 1.00 0.00 H new ATOM 1427 N VAL A 99 -6.363 -6.041 2.564 1.00 0.00 N ATOM 1428 CA VAL A 99 -6.139 -6.774 1.323 1.00 0.00 C ATOM 1429 C VAL A 99 -6.128 -8.278 1.568 1.00 0.00 C ATOM 1430 O VAL A 99 -5.138 -8.833 2.047 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.810 -6.362 0.660 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -4.562 -7.187 -0.593 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.815 -4.875 0.337 1.00 0.00 C ATOM 0 H VAL A 99 -5.745 -6.310 3.330 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.963 -6.524 0.654 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.998 -6.555 1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.619 -6.883 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.513 -8.243 -0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.375 -7.027 -1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.869 -4.601 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.635 -4.654 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.944 -4.303 1.256 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.234 -8.934 1.237 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.353 -10.376 1.417 1.00 0.00 C ATOM 1445 C LYS A 100 -6.746 -11.125 0.235 1.00 0.00 C ATOM 1446 O LYS A 100 -7.355 -11.221 -0.830 1.00 0.00 O ATOM 1447 CB LYS A 100 -8.822 -10.771 1.585 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.017 -12.194 2.076 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.465 -12.637 1.943 1.00 0.00 C ATOM 1450 CE LYS A 100 -10.589 -14.152 1.976 1.00 0.00 C ATOM 1451 NZ LYS A 100 -9.931 -14.789 0.801 1.00 0.00 N ATOM 0 H LYS A 100 -8.063 -8.489 0.842 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.804 -10.650 2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.296 -10.085 2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.333 -10.652 0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.376 -12.867 1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.708 -12.265 3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.055 -12.205 2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.879 -12.257 1.009 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.141 -14.533 2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -11.643 -14.430 1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.357 -15.722 0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.061 -14.188 -0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.915 -14.903 0.991 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.544 -11.656 0.430 1.00 0.00 N ATOM 1466 CA VAL A 101 -4.857 -12.399 -0.618 1.00 0.00 C ATOM 1467 C VAL A 101 -5.581 -13.702 -0.934 1.00 0.00 C ATOM 1468 O VAL A 101 -6.156 -14.336 -0.048 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.402 -12.716 -0.222 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.657 -13.349 -1.386 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.693 -11.456 0.253 1.00 0.00 C ATOM 0 H VAL A 101 -5.025 -11.585 1.305 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.854 -11.764 -1.504 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.416 -13.431 0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.631 -13.566 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.154 -14.275 -1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.651 -12.661 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.667 -11.698 0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.689 -10.717 -0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.215 -11.049 1.119 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.548 -14.099 -2.201 1.00 0.00 N ATOM 1482 CA LEU A 102 -6.202 -15.329 -2.635 1.00 0.00 C ATOM 1483 C LEU A 102 -5.175 -16.355 -3.104 1.00 0.00 C ATOM 1484 O LEU A 102 -4.062 -16.016 -3.506 1.00 0.00 O ATOM 1485 CB LEU A 102 -7.195 -15.033 -3.761 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.512 -14.381 -3.339 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -9.244 -13.826 -4.551 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.389 -15.381 -2.598 1.00 0.00 C ATOM 0 H LEU A 102 -5.075 -13.587 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.741 -15.744 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.707 -14.383 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.423 -15.968 -4.273 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.287 -13.555 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.179 -13.366 -4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.621 -13.079 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.458 -14.635 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.322 -14.900 -2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.606 -16.227 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.867 -15.733 -1.708 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.557 -17.639 -3.055 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.685 -18.741 -3.473 1.00 0.00 C ATOM 1502 C PRO A 103 -4.462 -18.764 -4.982 1.00 0.00 C ATOM 1503 O PRO A 103 -5.413 -18.863 -5.759 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.451 -19.989 -3.028 1.00 0.00 C ATOM 1505 CG PRO A 103 -6.879 -19.564 -2.991 1.00 0.00 C ATOM 1506 CD PRO A 103 -6.870 -18.116 -2.587 1.00 0.00 C ATOM 0 HA PRO A 103 -3.689 -18.658 -3.039 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.302 -20.814 -3.724 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.115 -20.332 -2.050 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.350 -19.694 -3.965 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.446 -20.164 -2.280 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.687 -17.564 -3.052 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.979 -17.999 -1.509 1.00 0.00 H new ATOM 1514 N THR A 104 -3.202 -18.670 -5.391 1.00 0.00 N ATOM 1515 CA THR A 104 -2.854 -18.678 -6.807 1.00 0.00 C ATOM 1516 C THR A 104 -3.780 -19.599 -7.594 1.00 0.00 C ATOM 1517 O THR A 104 -4.070 -19.351 -8.764 1.00 0.00 O ATOM 1518 CB THR A 104 -1.396 -19.126 -7.025 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.500 -18.169 -6.451 1.00 0.00 O ATOM 1520 CG2 THR A 104 -1.096 -19.286 -8.508 1.00 0.00 C ATOM 0 H THR A 104 -2.404 -18.587 -4.761 1.00 0.00 H new ATOM 0 HA THR A 104 -2.969 -17.656 -7.167 1.00 0.00 H new ATOM 0 HB THR A 104 -1.257 -20.091 -6.537 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.014 -17.423 -6.077 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.061 -19.603 -8.638 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.761 -20.036 -8.935 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.250 -18.334 -9.015 1.00 0.00 H new ATOM 1528 N TYR A 105 -4.241 -20.663 -6.945 1.00 0.00 N ATOM 1529 CA TYR A 105 -5.133 -21.621 -7.585 1.00 0.00 C ATOM 1530 C TYR A 105 -6.524 -21.571 -6.962 1.00 0.00 C ATOM 1531 O TYR A 105 -6.724 -20.970 -5.907 1.00 0.00 O ATOM 1532 CB TYR A 105 -4.562 -23.036 -7.472 1.00 0.00 C ATOM 1533 CG TYR A 105 -3.076 -23.111 -7.742 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -2.153 -22.813 -6.747 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -2.594 -23.481 -8.992 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -0.794 -22.880 -6.989 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -1.238 -23.553 -9.243 1.00 0.00 C ATOM 1538 CZ TYR A 105 -0.342 -23.251 -8.238 1.00 0.00 C ATOM 1539 OH TYR A 105 1.010 -23.320 -8.484 1.00 0.00 O ATOM 0 H TYR A 105 -4.011 -20.883 -5.976 1.00 0.00 H new ATOM 0 HA TYR A 105 -5.217 -21.353 -8.638 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.761 -23.421 -6.472 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -5.084 -23.687 -8.174 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.504 -22.524 -5.767 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -3.293 -23.716 -9.781 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.090 -22.643 -6.205 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -0.881 -23.844 -10.220 1.00 0.00 H new ATOM 0 HH TYR A 105 1.160 -23.597 -9.412 1.00 0.00 H new ATOM 1549 N ASP A 106 -7.484 -22.209 -7.623 1.00 0.00 N ATOM 1550 CA ASP A 106 -8.859 -22.241 -7.135 1.00 0.00 C ATOM 1551 C ASP A 106 -9.352 -23.677 -6.991 1.00 0.00 C ATOM 1552 O ASP A 106 -8.673 -24.620 -7.396 1.00 0.00 O ATOM 1553 CB ASP A 106 -9.776 -21.465 -8.080 1.00 0.00 C ATOM 1554 CG ASP A 106 -11.163 -21.262 -7.503 1.00 0.00 C ATOM 1555 OD1 ASP A 106 -11.355 -20.287 -6.748 1.00 0.00 O ATOM 1556 OD2 ASP A 106 -12.059 -22.080 -7.807 1.00 0.00 O ATOM 0 H ASP A 106 -7.336 -22.711 -8.498 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.881 -21.769 -6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -9.331 -20.494 -8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.854 -22.000 -9.027 1.00 0.00 H new ATOM 1561 N ALA A 107 -10.537 -23.835 -6.413 1.00 0.00 N ATOM 1562 CA ALA A 107 -11.122 -25.157 -6.217 1.00 0.00 C ATOM 1563 C ALA A 107 -12.427 -25.300 -6.993 1.00 0.00 C ATOM 1564 O ALA A 107 -13.402 -25.857 -6.489 1.00 0.00 O ATOM 1565 CB ALA A 107 -11.356 -25.417 -4.737 1.00 0.00 C ATOM 0 H ALA A 107 -11.112 -23.065 -6.072 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.419 -25.898 -6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.793 -26.407 -4.606 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -10.407 -25.366 -4.204 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.037 -24.665 -4.339 1.00 0.00 H new ATOM 1571 N SER A 108 -12.438 -24.793 -8.222 1.00 0.00 N ATOM 1572 CA SER A 108 -13.625 -24.860 -9.066 1.00 0.00 C ATOM 1573 C SER A 108 -13.315 -25.563 -10.384 1.00 0.00 C ATOM 1574 O SER A 108 -14.083 -26.407 -10.844 1.00 0.00 O ATOM 1575 CB SER A 108 -14.163 -23.454 -9.340 1.00 0.00 C ATOM 1576 OG SER A 108 -14.703 -22.878 -8.163 1.00 0.00 O ATOM 0 H SER A 108 -11.638 -24.331 -8.655 1.00 0.00 H new ATOM 0 HA SER A 108 -14.385 -25.435 -8.536 1.00 0.00 H new ATOM 0 HB2 SER A 108 -13.362 -22.823 -9.723 1.00 0.00 H new ATOM 0 HB3 SER A 108 -14.931 -23.499 -10.112 1.00 0.00 H new ATOM 0 HG SER A 108 -13.991 -22.426 -7.663 1.00 0.00 H new TER 1582 SER A 108