USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 837 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 83 HIS : no HD1:sc= 0.583 K(o=1.9,f=-6.5!) USER MOD Set 1.2: A 85 TYR OH : rot -42:sc= 1.34 USER MOD Set 2.1: A 24 HIS : no HD1:sc= 1.32 K(o=3.1,f=-3.6!) USER MOD Set 2.2: A 25 LYS NZ :NH3+ -157:sc= 0.105 (180deg=-0.0689) USER MOD Set 2.3: A 86 LYS NZ :NH3+ 167:sc= 1.69 (180deg=1.51) USER MOD Set 3.1: A 3 SER OG : rot -174:sc= 1.04 USER MOD Set 3.2: A 16 GLN : amide:sc= 0.358 K(o=1.4,f=-1.7) USER MOD Single : A 1 GLY N :NH3+ 161:sc= 1.07 (180deg=0.453) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -179:sc= 0.982 (180deg=0.981) USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 0.433 (180deg=0.423) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 113:sc= 1.16 USER MOD Single : A 34 THR OG1 : rot -119:sc= 0.83 USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0541) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 67:sc= 1.11 USER MOD Single : A 50 SER OG : rot 64:sc= 1.14 USER MOD Single : A 51 ASN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -179:sc= 1.14 (180deg=1.07) USER MOD Single : A 61 LYS NZ :NH3+ 147:sc= 0.533 (180deg=0.114) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.45 USER MOD Single : A 79 MET CE :methyl -171:sc= -0.0105 (180deg=-0.132) USER MOD Single : A 81 THR OG1 : rot 109:sc= 1.22 USER MOD Single : A 90 LYS NZ :NH3+ 174:sc= 1.05 (180deg=0.981) USER MOD Single : A 98 SER OG : rot 112:sc= 0.535 USER MOD Single : A 99 GLN : amide:sc= -0.185 K(o=-0.19,f=-1.9) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 141:sc= -0.266 (180deg=-0.577) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 0.286 K(o=0.29,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.050 -12.597 0.464 1.00 0.00 N ATOM 2 CA GLY A 1 -0.515 -12.789 1.844 1.00 0.00 C ATOM 3 C GLY A 1 -1.117 -11.473 2.312 1.00 0.00 C ATOM 4 O GLY A 1 -0.755 -10.456 1.724 1.00 0.00 O ATOM 0 H1 GLY A 1 0.638 -13.339 0.223 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.860 -12.651 -0.186 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.402 -11.665 0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.256 -13.587 1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.312 -13.083 2.490 1.00 0.00 H new ATOM 10 N GLY A 2 -1.995 -11.481 3.320 1.00 0.00 N ATOM 11 CA GLY A 2 -2.694 -10.317 3.856 1.00 0.00 C ATOM 12 C GLY A 2 -1.786 -9.357 4.619 1.00 0.00 C ATOM 13 O GLY A 2 -2.089 -8.963 5.744 1.00 0.00 O ATOM 0 H GLY A 2 -2.247 -12.342 3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -3.169 -9.779 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -3.490 -10.655 4.519 1.00 0.00 H new ATOM 17 N SER A 3 -0.673 -8.960 4.009 1.00 0.00 N ATOM 18 CA SER A 3 0.307 -8.092 4.610 1.00 0.00 C ATOM 19 C SER A 3 -0.163 -6.644 4.502 1.00 0.00 C ATOM 20 O SER A 3 0.173 -5.942 3.547 1.00 0.00 O ATOM 21 CB SER A 3 1.636 -8.316 3.901 1.00 0.00 C ATOM 22 OG SER A 3 1.941 -9.698 3.850 1.00 0.00 O ATOM 0 H SER A 3 -0.431 -9.246 3.060 1.00 0.00 H new ATOM 0 HA SER A 3 0.435 -8.313 5.670 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.590 -7.910 2.891 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.429 -7.781 4.424 1.00 0.00 H new ATOM 0 HG SER A 3 2.838 -9.821 3.476 1.00 0.00 H new ATOM 28 N VAL A 4 -0.973 -6.227 5.471 1.00 0.00 N ATOM 29 CA VAL A 4 -1.462 -4.866 5.603 1.00 0.00 C ATOM 30 C VAL A 4 -0.380 -4.064 6.323 1.00 0.00 C ATOM 31 O VAL A 4 -0.305 -4.138 7.549 1.00 0.00 O ATOM 32 CB VAL A 4 -2.791 -4.882 6.381 1.00 0.00 C ATOM 33 CG1 VAL A 4 -3.289 -3.453 6.642 1.00 0.00 C ATOM 34 CG2 VAL A 4 -3.847 -5.702 5.625 1.00 0.00 C ATOM 0 H VAL A 4 -1.315 -6.848 6.205 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.661 -4.405 4.636 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.617 -5.357 7.347 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.229 -3.490 7.193 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.547 -2.910 7.227 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.445 -2.943 5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.780 -5.703 6.189 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.017 -5.260 4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.495 -6.727 5.505 1.00 0.00 H new ATOM 44 N ILE A 5 0.477 -3.333 5.597 1.00 0.00 N ATOM 45 CA ILE A 5 1.558 -2.584 6.233 1.00 0.00 C ATOM 46 C ILE A 5 1.780 -1.211 5.595 1.00 0.00 C ATOM 47 O ILE A 5 1.255 -0.886 4.530 1.00 0.00 O ATOM 48 CB ILE A 5 2.871 -3.399 6.201 1.00 0.00 C ATOM 49 CG1 ILE A 5 3.348 -3.662 4.760 1.00 0.00 C ATOM 50 CG2 ILE A 5 2.714 -4.728 6.957 1.00 0.00 C ATOM 51 CD1 ILE A 5 4.822 -4.075 4.736 1.00 0.00 C ATOM 0 H ILE A 5 0.440 -3.247 4.581 1.00 0.00 H new ATOM 0 HA ILE A 5 1.257 -2.415 7.267 1.00 0.00 H new ATOM 0 HB ILE A 5 3.630 -2.798 6.701 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.740 -4.446 4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.208 -2.764 4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.652 -5.281 6.919 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.453 -4.527 7.996 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.925 -5.320 6.493 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.133 -4.255 3.707 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.430 -3.279 5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.954 -4.986 5.319 1.00 0.00 H new ATOM 63 N VAL A 6 2.602 -0.415 6.280 1.00 0.00 N ATOM 64 CA VAL A 6 3.116 0.871 5.858 1.00 0.00 C ATOM 65 C VAL A 6 4.628 0.680 5.831 1.00 0.00 C ATOM 66 O VAL A 6 5.152 0.006 6.719 1.00 0.00 O ATOM 67 CB VAL A 6 2.649 1.990 6.810 1.00 0.00 C ATOM 68 CG1 VAL A 6 2.938 1.698 8.290 1.00 0.00 C ATOM 69 CG2 VAL A 6 3.286 3.332 6.429 1.00 0.00 C ATOM 0 H VAL A 6 2.944 -0.677 7.205 1.00 0.00 H new ATOM 0 HA VAL A 6 2.750 1.186 4.881 1.00 0.00 H new ATOM 0 HB VAL A 6 1.566 2.039 6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.582 2.528 8.901 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.425 0.783 8.587 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.012 1.576 8.434 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.941 4.106 7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.371 3.250 6.490 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.999 3.595 5.411 1.00 0.00 H new ATOM 79 N ILE A 7 5.327 1.198 4.816 1.00 0.00 N ATOM 80 CA ILE A 7 6.761 0.969 4.722 1.00 0.00 C ATOM 81 C ILE A 7 7.461 2.126 4.006 1.00 0.00 C ATOM 82 O ILE A 7 6.861 2.817 3.184 1.00 0.00 O ATOM 83 CB ILE A 7 6.989 -0.413 4.071 1.00 0.00 C ATOM 84 CG1 ILE A 7 8.331 -1.030 4.485 1.00 0.00 C ATOM 85 CG2 ILE A 7 6.897 -0.341 2.541 1.00 0.00 C ATOM 86 CD1 ILE A 7 8.309 -1.530 5.937 1.00 0.00 C ATOM 0 H ILE A 7 4.929 1.765 4.067 1.00 0.00 H new ATOM 0 HA ILE A 7 7.217 0.946 5.712 1.00 0.00 H new ATOM 0 HB ILE A 7 6.191 -1.059 4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.570 -1.859 3.819 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.122 -0.289 4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.063 -1.332 2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.908 0.015 2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.655 0.345 2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.279 -1.959 6.189 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.097 -0.696 6.606 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.536 -2.290 6.048 1.00 0.00 H new ATOM 98 N ASP A 8 8.736 2.332 4.348 1.00 0.00 N ATOM 99 CA ASP A 8 9.577 3.428 3.890 1.00 0.00 C ATOM 100 C ASP A 8 10.950 2.947 3.400 1.00 0.00 C ATOM 101 O ASP A 8 11.902 3.722 3.422 1.00 0.00 O ATOM 102 CB ASP A 8 9.760 4.393 5.075 1.00 0.00 C ATOM 103 CG ASP A 8 10.594 3.790 6.210 1.00 0.00 C ATOM 104 OD1 ASP A 8 10.556 2.547 6.361 1.00 0.00 O ATOM 105 OD2 ASP A 8 11.247 4.587 6.916 1.00 0.00 O ATOM 0 H ASP A 8 9.229 1.705 4.984 1.00 0.00 H new ATOM 0 HA ASP A 8 9.095 3.915 3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.240 5.306 4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.781 4.676 5.461 1.00 0.00 H new ATOM 110 N SER A 9 11.082 1.689 2.961 1.00 0.00 N ATOM 111 CA SER A 9 12.361 1.167 2.491 1.00 0.00 C ATOM 112 C SER A 9 12.161 0.109 1.415 1.00 0.00 C ATOM 113 O SER A 9 11.249 -0.712 1.491 1.00 0.00 O ATOM 114 CB SER A 9 13.152 0.576 3.663 1.00 0.00 C ATOM 115 OG SER A 9 14.340 -0.045 3.200 1.00 0.00 O ATOM 0 H SER A 9 10.315 1.017 2.923 1.00 0.00 H new ATOM 0 HA SER A 9 12.923 1.994 2.057 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.400 1.363 4.375 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.538 -0.152 4.193 1.00 0.00 H new ATOM 0 HG SER A 9 14.834 -0.415 3.961 1.00 0.00 H new ATOM 121 N LYS A 10 13.057 0.128 0.429 1.00 0.00 N ATOM 122 CA LYS A 10 13.111 -0.807 -0.682 1.00 0.00 C ATOM 123 C LYS A 10 13.557 -2.181 -0.176 1.00 0.00 C ATOM 124 O LYS A 10 13.107 -3.222 -0.645 1.00 0.00 O ATOM 125 CB LYS A 10 14.111 -0.257 -1.691 1.00 0.00 C ATOM 126 CG LYS A 10 13.943 -0.786 -3.123 1.00 0.00 C ATOM 127 CD LYS A 10 14.717 -2.088 -3.370 1.00 0.00 C ATOM 128 CE LYS A 10 14.592 -2.553 -4.826 1.00 0.00 C ATOM 129 NZ LYS A 10 13.209 -2.939 -5.162 1.00 0.00 N ATOM 0 H LYS A 10 13.796 0.829 0.386 1.00 0.00 H new ATOM 0 HA LYS A 10 12.132 -0.922 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.027 0.830 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.118 -0.493 -1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 10 12.885 -0.955 -3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.283 -0.027 -3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.768 -1.939 -3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.342 -2.866 -2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.918 -1.754 -5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.257 -3.400 -4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 13.169 -3.263 -6.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 12.900 -3.707 -4.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 12.581 -2.119 -5.041 1.00 0.00 H new ATOM 143 N ALA A 11 14.470 -2.189 0.795 1.00 0.00 N ATOM 144 CA ALA A 11 14.914 -3.444 1.395 1.00 0.00 C ATOM 145 C ALA A 11 13.682 -4.171 1.944 1.00 0.00 C ATOM 146 O ALA A 11 13.436 -5.343 1.657 1.00 0.00 O ATOM 147 CB ALA A 11 15.940 -3.164 2.496 1.00 0.00 C ATOM 0 H ALA A 11 14.911 -1.353 1.178 1.00 0.00 H new ATOM 0 HA ALA A 11 15.401 -4.076 0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.266 -4.106 2.938 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.800 -2.647 2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.486 -2.540 3.266 1.00 0.00 H new ATOM 153 N ALA A 12 12.877 -3.427 2.707 1.00 0.00 N ATOM 154 CA ALA A 12 11.639 -3.938 3.264 1.00 0.00 C ATOM 155 C ALA A 12 10.644 -4.250 2.143 1.00 0.00 C ATOM 156 O ALA A 12 9.951 -5.259 2.224 1.00 0.00 O ATOM 157 CB ALA A 12 11.075 -2.933 4.260 1.00 0.00 C ATOM 0 H ALA A 12 13.072 -2.456 2.951 1.00 0.00 H new ATOM 0 HA ALA A 12 11.831 -4.869 3.797 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.145 -3.318 4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.795 -2.773 5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.881 -1.988 3.753 1.00 0.00 H new ATOM 163 N TRP A 13 10.567 -3.403 1.107 1.00 0.00 N ATOM 164 CA TRP A 13 9.731 -3.636 -0.069 1.00 0.00 C ATOM 165 C TRP A 13 9.982 -5.061 -0.576 1.00 0.00 C ATOM 166 O TRP A 13 9.063 -5.876 -0.639 1.00 0.00 O ATOM 167 CB TRP A 13 10.060 -2.602 -1.168 1.00 0.00 C ATOM 168 CG TRP A 13 9.292 -2.673 -2.454 1.00 0.00 C ATOM 169 CD1 TRP A 13 9.538 -3.580 -3.427 1.00 0.00 C ATOM 170 CD2 TRP A 13 8.308 -1.751 -3.017 1.00 0.00 C ATOM 171 NE1 TRP A 13 8.762 -3.320 -4.531 1.00 0.00 N ATOM 172 CE2 TRP A 13 8.001 -2.191 -4.340 1.00 0.00 C ATOM 173 CE3 TRP A 13 7.682 -0.560 -2.580 1.00 0.00 C ATOM 174 CZ2 TRP A 13 7.121 -1.502 -5.181 1.00 0.00 C ATOM 175 CZ3 TRP A 13 6.821 0.159 -3.434 1.00 0.00 C ATOM 176 CH2 TRP A 13 6.517 -0.328 -4.716 1.00 0.00 C ATOM 0 H TRP A 13 11.091 -2.529 1.066 1.00 0.00 H new ATOM 0 HA TRP A 13 8.679 -3.525 0.194 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.913 -1.608 -0.746 1.00 0.00 H new ATOM 0 HB3 TRP A 13 11.120 -2.694 -1.406 1.00 0.00 H new ATOM 0 HD1 TRP A 13 10.244 -4.393 -3.347 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.752 -3.888 -5.378 1.00 0.00 H new ATOM 0 HE3 TRP A 13 7.866 -0.197 -1.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.911 -1.870 -6.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.392 1.092 -3.100 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.817 0.204 -5.343 1.00 0.00 H new ATOM 187 N ASP A 14 11.242 -5.366 -0.907 1.00 0.00 N ATOM 188 CA ASP A 14 11.639 -6.665 -1.434 1.00 0.00 C ATOM 189 C ASP A 14 11.297 -7.772 -0.442 1.00 0.00 C ATOM 190 O ASP A 14 10.723 -8.797 -0.812 1.00 0.00 O ATOM 191 CB ASP A 14 13.140 -6.695 -1.750 1.00 0.00 C ATOM 192 CG ASP A 14 13.564 -5.727 -2.851 1.00 0.00 C ATOM 193 OD1 ASP A 14 12.680 -5.286 -3.619 1.00 0.00 O ATOM 194 OD2 ASP A 14 14.781 -5.449 -2.916 1.00 0.00 O ATOM 0 H ASP A 14 12.017 -4.709 -0.814 1.00 0.00 H new ATOM 0 HA ASP A 14 11.087 -6.833 -2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.696 -6.462 -0.842 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.418 -7.707 -2.044 1.00 0.00 H new ATOM 199 N ALA A 15 11.661 -7.563 0.824 1.00 0.00 N ATOM 200 CA ALA A 15 11.393 -8.532 1.877 1.00 0.00 C ATOM 201 C ALA A 15 9.906 -8.891 1.913 1.00 0.00 C ATOM 202 O ALA A 15 9.550 -10.070 1.977 1.00 0.00 O ATOM 203 CB ALA A 15 11.868 -7.983 3.225 1.00 0.00 C ATOM 0 H ALA A 15 12.145 -6.724 1.142 1.00 0.00 H new ATOM 0 HA ALA A 15 11.947 -9.447 1.668 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.664 -8.714 4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.939 -7.788 3.181 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.339 -7.056 3.447 1.00 0.00 H new ATOM 209 N GLN A 16 9.042 -7.874 1.875 1.00 0.00 N ATOM 210 CA GLN A 16 7.604 -8.069 1.887 1.00 0.00 C ATOM 211 C GLN A 16 7.190 -8.812 0.618 1.00 0.00 C ATOM 212 O GLN A 16 6.468 -9.799 0.705 1.00 0.00 O ATOM 213 CB GLN A 16 6.867 -6.731 2.031 1.00 0.00 C ATOM 214 CG GLN A 16 5.347 -6.950 2.097 1.00 0.00 C ATOM 215 CD GLN A 16 4.935 -7.971 3.152 1.00 0.00 C ATOM 216 OE1 GLN A 16 4.356 -9.006 2.842 1.00 0.00 O ATOM 217 NE2 GLN A 16 5.231 -7.693 4.419 1.00 0.00 N ATOM 0 H GLN A 16 9.327 -6.895 1.835 1.00 0.00 H new ATOM 0 HA GLN A 16 7.326 -8.672 2.751 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.205 -6.220 2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.110 -6.084 1.188 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.858 -5.999 2.309 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.991 -7.281 1.121 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.713 -6.825 4.651 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.976 -8.348 5.158 1.00 0.00 H new ATOM 226 N LEU A 17 7.644 -8.343 -0.550 1.00 0.00 N ATOM 227 CA LEU A 17 7.376 -8.978 -1.837 1.00 0.00 C ATOM 228 C LEU A 17 7.607 -10.488 -1.742 1.00 0.00 C ATOM 229 O LEU A 17 6.760 -11.278 -2.161 1.00 0.00 O ATOM 230 CB LEU A 17 8.276 -8.349 -2.921 1.00 0.00 C ATOM 231 CG LEU A 17 7.504 -7.436 -3.882 1.00 0.00 C ATOM 232 CD1 LEU A 17 6.946 -6.195 -3.173 1.00 0.00 C ATOM 233 CD2 LEU A 17 8.418 -6.996 -5.030 1.00 0.00 C ATOM 0 H LEU A 17 8.215 -7.501 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 17 6.334 -8.814 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.068 -7.775 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.759 -9.143 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 17 6.662 -8.009 -4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.407 -5.577 -3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.267 -6.504 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.767 -5.621 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.863 -6.348 -5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.273 -6.453 -4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.769 -7.874 -5.572 1.00 0.00 H new ATOM 245 N ALA A 18 8.746 -10.882 -1.169 1.00 0.00 N ATOM 246 CA ALA A 18 9.090 -12.281 -1.000 1.00 0.00 C ATOM 247 C ALA A 18 8.098 -12.995 -0.071 1.00 0.00 C ATOM 248 O ALA A 18 7.378 -13.893 -0.514 1.00 0.00 O ATOM 249 CB ALA A 18 10.524 -12.383 -0.478 1.00 0.00 C ATOM 0 H ALA A 18 9.450 -10.236 -0.812 1.00 0.00 H new ATOM 0 HA ALA A 18 9.027 -12.784 -1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.790 -13.432 -0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.205 -11.921 -1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.600 -11.868 0.480 1.00 0.00 H new ATOM 255 N LYS A 19 8.037 -12.611 1.212 1.00 0.00 N ATOM 256 CA LYS A 19 7.188 -13.321 2.175 1.00 0.00 C ATOM 257 C LYS A 19 5.703 -13.277 1.797 1.00 0.00 C ATOM 258 O LYS A 19 4.943 -14.151 2.201 1.00 0.00 O ATOM 259 CB LYS A 19 7.424 -12.805 3.601 1.00 0.00 C ATOM 260 CG LYS A 19 6.950 -11.366 3.820 1.00 0.00 C ATOM 261 CD LYS A 19 7.126 -10.897 5.271 1.00 0.00 C ATOM 262 CE LYS A 19 8.576 -10.939 5.772 1.00 0.00 C ATOM 263 NZ LYS A 19 9.474 -10.138 4.923 1.00 0.00 N ATOM 0 H LYS A 19 8.557 -11.825 1.601 1.00 0.00 H new ATOM 0 HA LYS A 19 7.480 -14.371 2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.909 -13.459 4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.488 -12.867 3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.504 -10.701 3.158 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.899 -11.288 3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.752 -9.877 5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.511 -11.520 5.920 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.617 -10.567 6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.923 -11.972 5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.437 -10.165 5.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.481 -10.529 3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.139 -9.154 4.895 1.00 0.00 H new ATOM 277 N GLY A 20 5.285 -12.268 1.031 1.00 0.00 N ATOM 278 CA GLY A 20 3.921 -12.126 0.561 1.00 0.00 C ATOM 279 C GLY A 20 3.505 -13.268 -0.371 1.00 0.00 C ATOM 280 O GLY A 20 2.303 -13.488 -0.530 1.00 0.00 O ATOM 0 H GLY A 20 5.901 -11.518 0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.246 -12.094 1.416 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.817 -11.176 0.037 1.00 0.00 H new ATOM 284 N LYS A 21 4.472 -13.980 -0.970 1.00 0.00 N ATOM 285 CA LYS A 21 4.254 -15.072 -1.915 1.00 0.00 C ATOM 286 C LYS A 21 3.545 -14.519 -3.149 1.00 0.00 C ATOM 287 O LYS A 21 2.424 -14.902 -3.483 1.00 0.00 O ATOM 288 CB LYS A 21 3.491 -16.247 -1.279 1.00 0.00 C ATOM 289 CG LYS A 21 4.090 -16.701 0.056 1.00 0.00 C ATOM 290 CD LYS A 21 5.565 -17.110 -0.048 1.00 0.00 C ATOM 291 CE LYS A 21 6.070 -17.598 1.315 1.00 0.00 C ATOM 292 NZ LYS A 21 7.502 -17.936 1.264 1.00 0.00 N ATOM 0 H LYS A 21 5.461 -13.800 -0.799 1.00 0.00 H new ATOM 0 HA LYS A 21 5.218 -15.483 -2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.452 -15.956 -1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.487 -17.088 -1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.994 -15.894 0.782 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.513 -17.543 0.438 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.681 -17.898 -0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.163 -16.263 -0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.903 -16.825 2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.498 -18.473 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.815 -18.263 2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.656 -18.690 0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.048 -17.094 0.991 1.00 0.00 H new ATOM 306 N GLU A 22 4.237 -13.612 -3.837 1.00 0.00 N ATOM 307 CA GLU A 22 3.762 -12.935 -5.032 1.00 0.00 C ATOM 308 C GLU A 22 3.814 -13.882 -6.236 1.00 0.00 C ATOM 309 O GLU A 22 4.536 -13.651 -7.201 1.00 0.00 O ATOM 310 CB GLU A 22 4.591 -11.661 -5.264 1.00 0.00 C ATOM 311 CG GLU A 22 3.901 -10.759 -6.301 1.00 0.00 C ATOM 312 CD GLU A 22 4.698 -9.513 -6.677 1.00 0.00 C ATOM 313 OE1 GLU A 22 5.886 -9.443 -6.291 1.00 0.00 O ATOM 314 OE2 GLU A 22 4.102 -8.643 -7.348 1.00 0.00 O ATOM 0 H GLU A 22 5.176 -13.322 -3.564 1.00 0.00 H new ATOM 0 HA GLU A 22 2.721 -12.640 -4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.712 -11.121 -4.325 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.590 -11.927 -5.610 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.711 -11.341 -7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.931 -10.452 -5.910 1.00 0.00 H new ATOM 321 N GLU A 23 3.052 -14.973 -6.174 1.00 0.00 N ATOM 322 CA GLU A 23 2.909 -15.873 -7.311 1.00 0.00 C ATOM 323 C GLU A 23 2.143 -15.093 -8.384 1.00 0.00 C ATOM 324 O GLU A 23 2.603 -14.929 -9.512 1.00 0.00 O ATOM 325 CB GLU A 23 2.172 -17.156 -6.902 1.00 0.00 C ATOM 326 CG GLU A 23 2.895 -17.895 -5.767 1.00 0.00 C ATOM 327 CD GLU A 23 2.176 -19.193 -5.413 1.00 0.00 C ATOM 328 OE1 GLU A 23 1.133 -19.094 -4.731 1.00 0.00 O ATOM 329 OE2 GLU A 23 2.677 -20.256 -5.837 1.00 0.00 O ATOM 0 H GLU A 23 2.525 -15.253 -5.347 1.00 0.00 H new ATOM 0 HA GLU A 23 3.879 -16.193 -7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.159 -16.907 -6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.084 -17.815 -7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.920 -18.113 -6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.949 -17.254 -4.887 1.00 0.00 H new ATOM 336 N HIS A 24 0.969 -14.595 -7.991 1.00 0.00 N ATOM 337 CA HIS A 24 0.103 -13.737 -8.785 1.00 0.00 C ATOM 338 C HIS A 24 -0.763 -12.879 -7.854 1.00 0.00 C ATOM 339 O HIS A 24 -1.808 -12.369 -8.248 1.00 0.00 O ATOM 340 CB HIS A 24 -0.780 -14.612 -9.686 1.00 0.00 C ATOM 341 CG HIS A 24 -1.901 -15.289 -8.934 1.00 0.00 C ATOM 342 ND1 HIS A 24 -1.665 -16.261 -7.957 1.00 0.00 N ATOM 343 CD2 HIS A 24 -3.240 -15.014 -8.970 1.00 0.00 C ATOM 344 CE1 HIS A 24 -2.881 -16.557 -7.479 1.00 0.00 C ATOM 345 NE2 HIS A 24 -3.850 -15.809 -8.026 1.00 0.00 N ATOM 0 H HIS A 24 0.583 -14.791 -7.067 1.00 0.00 H new ATOM 0 HA HIS A 24 0.703 -13.075 -9.409 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.202 -13.996 -10.480 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.161 -15.371 -10.166 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.729 -14.303 -9.620 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -3.061 -17.317 -6.733 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.842 -15.826 -7.790 1.00 0.00 H new ATOM 353 N LYS A 25 -0.342 -12.744 -6.595 1.00 0.00 N ATOM 354 CA LYS A 25 -1.127 -12.074 -5.571 1.00 0.00 C ATOM 355 C LYS A 25 -1.001 -10.560 -5.734 1.00 0.00 C ATOM 356 O LYS A 25 0.111 -10.061 -5.893 1.00 0.00 O ATOM 357 CB LYS A 25 -0.657 -12.511 -4.177 1.00 0.00 C ATOM 358 CG LYS A 25 -0.579 -14.036 -4.006 1.00 0.00 C ATOM 359 CD LYS A 25 -1.921 -14.731 -4.281 1.00 0.00 C ATOM 360 CE LYS A 25 -1.854 -16.230 -3.965 1.00 0.00 C ATOM 361 NZ LYS A 25 -0.857 -16.920 -4.803 1.00 0.00 N ATOM 0 H LYS A 25 0.555 -13.098 -6.262 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.175 -12.351 -5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.325 -12.081 -3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.337 -12.104 -3.429 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.178 -14.435 -4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.255 -14.268 -2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.702 -14.266 -3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.197 -14.591 -5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.604 -16.369 -2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.835 -16.679 -4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.092 -17.932 -4.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.862 -16.509 -5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.088 -16.807 -4.383 1.00 0.00 H new ATOM 375 N PRO A 26 -2.109 -9.806 -5.680 1.00 0.00 N ATOM 376 CA PRO A 26 -2.059 -8.370 -5.864 1.00 0.00 C ATOM 377 C PRO A 26 -1.283 -7.664 -4.751 1.00 0.00 C ATOM 378 O PRO A 26 -1.652 -7.734 -3.578 1.00 0.00 O ATOM 379 CB PRO A 26 -3.520 -7.914 -5.920 1.00 0.00 C ATOM 380 CG PRO A 26 -4.252 -8.979 -5.108 1.00 0.00 C ATOM 381 CD PRO A 26 -3.479 -10.250 -5.460 1.00 0.00 C ATOM 0 HA PRO A 26 -1.522 -8.111 -6.777 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.648 -6.921 -5.489 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.888 -7.867 -6.945 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.221 -8.768 -4.039 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.303 -9.052 -5.388 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.533 -10.981 -4.654 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.888 -10.727 -6.351 1.00 0.00 H new ATOM 389 N ILE A 27 -0.205 -6.980 -5.143 1.00 0.00 N ATOM 390 CA ILE A 27 0.543 -6.079 -4.291 1.00 0.00 C ATOM 391 C ILE A 27 0.035 -4.697 -4.661 1.00 0.00 C ATOM 392 O ILE A 27 0.399 -4.168 -5.712 1.00 0.00 O ATOM 393 CB ILE A 27 2.059 -6.210 -4.497 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.487 -7.674 -4.306 1.00 0.00 C ATOM 395 CG2 ILE A 27 2.775 -5.257 -3.526 1.00 0.00 C ATOM 396 CD1 ILE A 27 3.979 -7.828 -4.026 1.00 0.00 C ATOM 0 H ILE A 27 0.174 -7.046 -6.088 1.00 0.00 H new ATOM 0 HA ILE A 27 0.394 -6.301 -3.234 1.00 0.00 H new ATOM 0 HB ILE A 27 2.336 -5.928 -5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.922 -8.107 -3.481 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.231 -8.241 -5.201 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.853 -5.341 -3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.463 -4.232 -3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.518 -5.522 -2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.219 -8.884 -3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.550 -7.423 -4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.236 -7.287 -3.115 1.00 0.00 H new ATOM 408 N VAL A 28 -0.838 -4.145 -3.821 1.00 0.00 N ATOM 409 CA VAL A 28 -1.442 -2.846 -4.036 1.00 0.00 C ATOM 410 C VAL A 28 -0.608 -1.856 -3.235 1.00 0.00 C ATOM 411 O VAL A 28 -0.531 -1.971 -2.008 1.00 0.00 O ATOM 412 CB VAL A 28 -2.913 -2.849 -3.585 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.599 -1.567 -4.075 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.673 -4.063 -4.137 1.00 0.00 C ATOM 0 H VAL A 28 -1.146 -4.600 -2.961 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.452 -2.575 -5.092 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.929 -2.901 -2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.641 -1.568 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.091 -0.699 -3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.552 -1.522 -5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.708 -4.030 -3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.648 -4.043 -5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.203 -4.979 -3.780 1.00 0.00 H new ATOM 424 N VAL A 29 0.044 -0.911 -3.912 1.00 0.00 N ATOM 425 CA VAL A 29 0.862 0.084 -3.241 1.00 0.00 C ATOM 426 C VAL A 29 0.200 1.453 -3.363 1.00 0.00 C ATOM 427 O VAL A 29 -0.174 1.865 -4.462 1.00 0.00 O ATOM 428 CB VAL A 29 2.307 0.057 -3.762 1.00 0.00 C ATOM 429 CG1 VAL A 29 2.414 0.220 -5.273 1.00 0.00 C ATOM 430 CG2 VAL A 29 3.136 1.151 -3.084 1.00 0.00 C ATOM 0 H VAL A 29 0.018 -0.818 -4.927 1.00 0.00 H new ATOM 0 HA VAL A 29 0.930 -0.151 -2.179 1.00 0.00 H new ATOM 0 HB VAL A 29 2.694 -0.931 -3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.463 0.191 -5.569 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.876 -0.590 -5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.980 1.176 -5.568 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.158 1.120 -3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.698 2.126 -3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.143 0.987 -2.006 1.00 0.00 H new ATOM 440 N ASP A 30 0.049 2.125 -2.218 1.00 0.00 N ATOM 441 CA ASP A 30 -0.497 3.467 -2.093 1.00 0.00 C ATOM 442 C ASP A 30 0.680 4.419 -1.926 1.00 0.00 C ATOM 443 O ASP A 30 1.199 4.581 -0.820 1.00 0.00 O ATOM 444 CB ASP A 30 -1.442 3.538 -0.887 1.00 0.00 C ATOM 445 CG ASP A 30 -1.926 4.952 -0.559 1.00 0.00 C ATOM 446 OD1 ASP A 30 -1.640 5.875 -1.354 1.00 0.00 O ATOM 447 OD2 ASP A 30 -2.574 5.092 0.500 1.00 0.00 O ATOM 0 H ASP A 30 0.317 1.726 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.076 3.741 -2.975 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.308 2.904 -1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.933 3.128 -0.015 1.00 0.00 H new ATOM 452 N PHE A 31 1.112 5.019 -3.032 1.00 0.00 N ATOM 453 CA PHE A 31 2.180 5.996 -3.071 1.00 0.00 C ATOM 454 C PHE A 31 1.572 7.371 -2.787 1.00 0.00 C ATOM 455 O PHE A 31 1.098 8.028 -3.713 1.00 0.00 O ATOM 456 CB PHE A 31 2.840 5.965 -4.455 1.00 0.00 C ATOM 457 CG PHE A 31 3.687 4.744 -4.758 1.00 0.00 C ATOM 458 CD1 PHE A 31 4.990 4.656 -4.236 1.00 0.00 C ATOM 459 CD2 PHE A 31 3.272 3.827 -5.743 1.00 0.00 C ATOM 460 CE1 PHE A 31 5.917 3.758 -4.791 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.198 2.928 -6.298 1.00 0.00 C ATOM 462 CZ PHE A 31 5.531 2.922 -5.851 1.00 0.00 C ATOM 0 H PHE A 31 0.712 4.828 -3.951 1.00 0.00 H new ATOM 0 HA PHE A 31 2.943 5.775 -2.324 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.058 6.037 -5.211 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.466 6.852 -4.558 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.279 5.282 -3.405 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.243 3.815 -6.071 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.924 3.711 -4.403 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.885 2.240 -7.070 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.257 2.276 -6.322 1.00 0.00 H new ATOM 472 N THR A 32 1.589 7.800 -1.523 1.00 0.00 N ATOM 473 CA THR A 32 1.088 9.096 -1.067 1.00 0.00 C ATOM 474 C THR A 32 2.176 9.698 -0.179 1.00 0.00 C ATOM 475 O THR A 32 2.520 9.112 0.846 1.00 0.00 O ATOM 476 CB THR A 32 -0.231 8.919 -0.303 1.00 0.00 C ATOM 477 OG1 THR A 32 -1.236 8.518 -1.204 1.00 0.00 O ATOM 478 CG2 THR A 32 -0.692 10.224 0.357 1.00 0.00 C ATOM 0 H THR A 32 1.966 7.234 -0.763 1.00 0.00 H new ATOM 0 HA THR A 32 0.875 9.760 -1.905 1.00 0.00 H new ATOM 0 HB THR A 32 -0.061 8.172 0.472 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.515 7.602 -0.997 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.629 10.053 0.887 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.067 10.563 1.062 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.842 10.986 -0.408 1.00 0.00 H new ATOM 486 N ALA A 33 2.741 10.846 -0.572 1.00 0.00 N ATOM 487 CA ALA A 33 3.823 11.463 0.183 1.00 0.00 C ATOM 488 C ALA A 33 3.359 11.895 1.575 1.00 0.00 C ATOM 489 O ALA A 33 2.268 12.444 1.716 1.00 0.00 O ATOM 490 CB ALA A 33 4.378 12.675 -0.567 1.00 0.00 C ATOM 0 H ALA A 33 2.463 11.361 -1.408 1.00 0.00 H new ATOM 0 HA ALA A 33 4.608 10.715 0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.185 13.123 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.760 12.359 -1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.585 13.408 -0.711 1.00 0.00 H new ATOM 496 N THR A 34 4.203 11.699 2.589 1.00 0.00 N ATOM 497 CA THR A 34 3.937 12.106 3.967 1.00 0.00 C ATOM 498 C THR A 34 3.489 13.564 4.028 1.00 0.00 C ATOM 499 O THR A 34 2.488 13.900 4.655 1.00 0.00 O ATOM 500 CB THR A 34 5.227 11.934 4.785 1.00 0.00 C ATOM 501 OG1 THR A 34 6.348 12.140 3.939 1.00 0.00 O ATOM 502 CG2 THR A 34 5.275 10.538 5.400 1.00 0.00 C ATOM 0 H THR A 34 5.108 11.244 2.472 1.00 0.00 H new ATOM 0 HA THR A 34 3.138 11.486 4.374 1.00 0.00 H new ATOM 0 HB THR A 34 5.247 12.666 5.592 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.887 11.322 3.905 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.193 10.426 5.977 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.415 10.399 6.055 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.252 9.790 4.607 1.00 0.00 H new ATOM 510 N TRP A 35 4.251 14.428 3.359 1.00 0.00 N ATOM 511 CA TRP A 35 4.012 15.861 3.323 1.00 0.00 C ATOM 512 C TRP A 35 2.748 16.246 2.542 1.00 0.00 C ATOM 513 O TRP A 35 2.366 17.416 2.563 1.00 0.00 O ATOM 514 CB TRP A 35 5.263 16.549 2.763 1.00 0.00 C ATOM 515 CG TRP A 35 5.878 15.957 1.529 1.00 0.00 C ATOM 516 CD1 TRP A 35 6.982 15.176 1.509 1.00 0.00 C ATOM 517 CD2 TRP A 35 5.470 16.100 0.134 1.00 0.00 C ATOM 518 NE1 TRP A 35 7.343 14.912 0.207 1.00 0.00 N ATOM 519 CE2 TRP A 35 6.431 15.433 -0.685 1.00 0.00 C ATOM 520 CE3 TRP A 35 4.393 16.729 -0.528 1.00 0.00 C ATOM 521 CZ2 TRP A 35 6.335 15.403 -2.084 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.275 16.685 -1.929 1.00 0.00 C ATOM 523 CH2 TRP A 35 5.248 16.035 -2.708 1.00 0.00 C ATOM 0 H TRP A 35 5.067 14.141 2.818 1.00 0.00 H new ATOM 0 HA TRP A 35 3.824 16.204 4.340 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.010 17.587 2.549 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.021 16.560 3.546 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.502 14.814 2.383 1.00 0.00 H new ATOM 0 HE1 TRP A 35 8.180 14.396 -0.063 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.647 17.253 0.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.088 14.900 -2.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.430 17.155 -2.410 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.159 16.022 -3.784 1.00 0.00 H new ATOM 534 N CYS A 36 2.066 15.311 1.869 1.00 0.00 N ATOM 535 CA CYS A 36 0.824 15.594 1.151 1.00 0.00 C ATOM 536 C CYS A 36 -0.304 15.633 2.194 1.00 0.00 C ATOM 537 O CYS A 36 -1.196 14.791 2.202 1.00 0.00 O ATOM 538 CB CYS A 36 0.634 14.527 0.063 1.00 0.00 C ATOM 539 SG CYS A 36 -0.348 14.942 -1.405 1.00 0.00 S ATOM 0 H CYS A 36 2.363 14.337 1.809 1.00 0.00 H new ATOM 0 HA CYS A 36 0.833 16.555 0.637 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.624 14.222 -0.277 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.176 13.656 0.531 1.00 0.00 H new ATOM 544 N GLY A 37 -0.228 16.618 3.099 1.00 0.00 N ATOM 545 CA GLY A 37 -1.077 16.845 4.267 1.00 0.00 C ATOM 546 C GLY A 37 -2.484 16.246 4.193 1.00 0.00 C ATOM 547 O GLY A 37 -2.731 15.200 4.789 1.00 0.00 O ATOM 0 H GLY A 37 0.492 17.336 3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.574 16.436 5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.168 17.920 4.424 1.00 0.00 H new ATOM 551 N PRO A 38 -3.428 16.899 3.498 1.00 0.00 N ATOM 552 CA PRO A 38 -4.799 16.420 3.403 1.00 0.00 C ATOM 553 C PRO A 38 -4.864 15.069 2.692 1.00 0.00 C ATOM 554 O PRO A 38 -5.646 14.199 3.064 1.00 0.00 O ATOM 555 CB PRO A 38 -5.558 17.511 2.640 1.00 0.00 C ATOM 556 CG PRO A 38 -4.470 18.200 1.813 1.00 0.00 C ATOM 557 CD PRO A 38 -3.239 18.107 2.714 1.00 0.00 C ATOM 0 HA PRO A 38 -5.241 16.248 4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.336 17.088 2.005 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.046 18.209 3.320 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.310 17.698 0.859 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.728 19.235 1.589 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.323 18.054 2.125 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.155 18.984 3.356 1.00 0.00 H new ATOM 565 N CYS A 39 -4.016 14.884 1.680 1.00 0.00 N ATOM 566 CA CYS A 39 -3.953 13.659 0.893 1.00 0.00 C ATOM 567 C CYS A 39 -3.708 12.475 1.824 1.00 0.00 C ATOM 568 O CYS A 39 -4.271 11.404 1.629 1.00 0.00 O ATOM 569 CB CYS A 39 -2.838 13.708 -0.166 1.00 0.00 C ATOM 570 SG CYS A 39 -2.284 15.326 -0.760 1.00 0.00 S ATOM 0 H CYS A 39 -3.346 15.593 1.382 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.904 13.550 0.371 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.970 13.189 0.242 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.175 13.135 -1.030 1.00 0.00 H new ATOM 575 N LYS A 40 -2.878 12.665 2.853 1.00 0.00 N ATOM 576 CA LYS A 40 -2.542 11.631 3.818 1.00 0.00 C ATOM 577 C LYS A 40 -3.796 10.999 4.440 1.00 0.00 C ATOM 578 O LYS A 40 -3.752 9.832 4.821 1.00 0.00 O ATOM 579 CB LYS A 40 -1.607 12.219 4.884 1.00 0.00 C ATOM 580 CG LYS A 40 -0.828 11.119 5.616 1.00 0.00 C ATOM 581 CD LYS A 40 0.142 11.743 6.625 1.00 0.00 C ATOM 582 CE LYS A 40 1.036 10.685 7.283 1.00 0.00 C ATOM 583 NZ LYS A 40 0.253 9.699 8.050 1.00 0.00 N ATOM 0 H LYS A 40 -2.417 13.556 3.036 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.023 10.823 3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.908 12.911 4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.190 12.794 5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.521 10.453 6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.277 10.513 4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.764 12.483 6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.422 12.271 7.393 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.614 10.171 6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.750 11.175 7.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.899 9.064 8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.356 10.194 8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.337 9.142 7.399 1.00 0.00 H new ATOM 597 N MET A 41 -4.923 11.719 4.508 1.00 0.00 N ATOM 598 CA MET A 41 -6.178 11.187 5.044 1.00 0.00 C ATOM 599 C MET A 41 -6.695 10.005 4.217 1.00 0.00 C ATOM 600 O MET A 41 -7.540 9.242 4.676 1.00 0.00 O ATOM 601 CB MET A 41 -7.222 12.306 5.110 1.00 0.00 C ATOM 602 CG MET A 41 -6.735 13.441 6.016 1.00 0.00 C ATOM 603 SD MET A 41 -7.939 14.761 6.300 1.00 0.00 S ATOM 604 CE MET A 41 -6.991 15.794 7.438 1.00 0.00 C ATOM 0 H MET A 41 -4.988 12.687 4.192 1.00 0.00 H new ATOM 0 HA MET A 41 -5.989 10.811 6.050 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.416 12.690 4.108 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.165 11.910 5.488 1.00 0.00 H new ATOM 0 HG2 MET A 41 -6.447 13.019 6.979 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.837 13.877 5.577 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.585 16.663 7.721 1.00 0.00 H new ATOM 0 HE2 MET A 41 -6.741 15.219 8.330 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.074 16.125 6.951 1.00 0.00 H new ATOM 614 N ILE A 42 -6.182 9.829 3.003 1.00 0.00 N ATOM 615 CA ILE A 42 -6.509 8.695 2.153 1.00 0.00 C ATOM 616 C ILE A 42 -5.839 7.426 2.698 1.00 0.00 C ATOM 617 O ILE A 42 -6.329 6.319 2.472 1.00 0.00 O ATOM 618 CB ILE A 42 -6.064 9.014 0.718 1.00 0.00 C ATOM 619 CG1 ILE A 42 -6.932 10.167 0.180 1.00 0.00 C ATOM 620 CG2 ILE A 42 -6.197 7.780 -0.174 1.00 0.00 C ATOM 621 CD1 ILE A 42 -6.280 10.867 -1.009 1.00 0.00 C ATOM 0 H ILE A 42 -5.520 10.479 2.579 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.584 8.513 2.147 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.015 9.311 0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.906 9.779 -0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.107 10.891 0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.877 8.027 -1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.572 6.978 0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.237 7.454 -0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.927 11.673 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.318 11.279 -0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.130 10.150 -1.816 1.00 0.00 H new ATOM 633 N ALA A 43 -4.725 7.564 3.423 1.00 0.00 N ATOM 634 CA ALA A 43 -4.015 6.423 3.976 1.00 0.00 C ATOM 635 C ALA A 43 -4.945 5.549 4.836 1.00 0.00 C ATOM 636 O ALA A 43 -5.097 4.378 4.497 1.00 0.00 O ATOM 637 CB ALA A 43 -2.771 6.886 4.743 1.00 0.00 C ATOM 0 H ALA A 43 -4.298 8.465 3.638 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.674 5.794 3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.251 6.019 5.151 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.106 7.423 4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.070 7.545 5.558 1.00 0.00 H new ATOM 643 N PRO A 44 -5.602 6.048 5.905 1.00 0.00 N ATOM 644 CA PRO A 44 -6.502 5.230 6.711 1.00 0.00 C ATOM 645 C PRO A 44 -7.612 4.597 5.868 1.00 0.00 C ATOM 646 O PRO A 44 -7.970 3.443 6.092 1.00 0.00 O ATOM 647 CB PRO A 44 -7.052 6.132 7.820 1.00 0.00 C ATOM 648 CG PRO A 44 -6.828 7.539 7.279 1.00 0.00 C ATOM 649 CD PRO A 44 -5.534 7.381 6.480 1.00 0.00 C ATOM 0 HA PRO A 44 -5.966 4.386 7.146 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.108 5.938 8.008 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.526 5.976 8.762 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.655 7.869 6.651 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.724 8.271 8.080 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.456 8.141 5.703 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.659 7.489 7.121 1.00 0.00 H new ATOM 657 N LEU A 45 -8.156 5.329 4.892 1.00 0.00 N ATOM 658 CA LEU A 45 -9.171 4.775 3.997 1.00 0.00 C ATOM 659 C LEU A 45 -8.622 3.523 3.311 1.00 0.00 C ATOM 660 O LEU A 45 -9.186 2.433 3.412 1.00 0.00 O ATOM 661 CB LEU A 45 -9.576 5.803 2.930 1.00 0.00 C ATOM 662 CG LEU A 45 -10.408 6.984 3.456 1.00 0.00 C ATOM 663 CD1 LEU A 45 -10.776 7.896 2.280 1.00 0.00 C ATOM 664 CD2 LEU A 45 -11.698 6.540 4.158 1.00 0.00 C ATOM 0 H LEU A 45 -7.911 6.301 4.703 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.050 4.519 4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.673 6.193 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.145 5.294 2.152 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.798 7.507 4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.367 8.737 2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.866 8.268 1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.358 7.332 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.242 7.417 4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.320 5.982 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.449 5.905 5.008 1.00 0.00 H new ATOM 676 N PHE A 46 -7.501 3.684 2.613 1.00 0.00 N ATOM 677 CA PHE A 46 -6.828 2.591 1.931 1.00 0.00 C ATOM 678 C PHE A 46 -6.509 1.466 2.926 1.00 0.00 C ATOM 679 O PHE A 46 -6.721 0.297 2.613 1.00 0.00 O ATOM 680 CB PHE A 46 -5.594 3.161 1.233 1.00 0.00 C ATOM 681 CG PHE A 46 -4.562 2.135 0.808 1.00 0.00 C ATOM 682 CD1 PHE A 46 -4.759 1.393 -0.369 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.408 1.918 1.586 1.00 0.00 C ATOM 684 CE1 PHE A 46 -3.775 0.493 -0.807 1.00 0.00 C ATOM 685 CE2 PHE A 46 -2.438 0.990 1.163 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.603 0.306 -0.055 1.00 0.00 C ATOM 0 H PHE A 46 -7.034 4.584 2.506 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.464 2.139 1.170 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.918 3.714 0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.117 3.878 1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.669 1.515 -0.938 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.267 2.464 2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.919 -0.057 -1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.567 0.803 1.774 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.831 -0.361 -0.411 1.00 0.00 H new ATOM 696 N GLU A 47 -6.050 1.789 4.139 1.00 0.00 N ATOM 697 CA GLU A 47 -5.777 0.801 5.173 1.00 0.00 C ATOM 698 C GLU A 47 -7.066 0.065 5.569 1.00 0.00 C ATOM 699 O GLU A 47 -7.024 -1.125 5.873 1.00 0.00 O ATOM 700 CB GLU A 47 -5.129 1.481 6.379 1.00 0.00 C ATOM 701 CG GLU A 47 -3.695 1.936 6.066 1.00 0.00 C ATOM 702 CD GLU A 47 -3.156 2.871 7.143 1.00 0.00 C ATOM 703 OE1 GLU A 47 -2.877 2.360 8.248 1.00 0.00 O ATOM 704 OE2 GLU A 47 -3.042 4.081 6.847 1.00 0.00 O ATOM 0 H GLU A 47 -5.858 2.749 4.427 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.081 0.057 4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.728 2.341 6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.117 0.792 7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.046 1.064 5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.676 2.442 5.101 1.00 0.00 H new ATOM 711 N THR A 48 -8.218 0.743 5.561 1.00 0.00 N ATOM 712 CA THR A 48 -9.489 0.090 5.855 1.00 0.00 C ATOM 713 C THR A 48 -9.732 -0.983 4.788 1.00 0.00 C ATOM 714 O THR A 48 -10.043 -2.126 5.127 1.00 0.00 O ATOM 715 CB THR A 48 -10.634 1.116 5.927 1.00 0.00 C ATOM 716 OG1 THR A 48 -10.302 2.143 6.841 1.00 0.00 O ATOM 717 CG2 THR A 48 -11.928 0.461 6.414 1.00 0.00 C ATOM 0 H THR A 48 -8.292 1.739 5.355 1.00 0.00 H new ATOM 0 HA THR A 48 -9.453 -0.387 6.835 1.00 0.00 H new ATOM 0 HB THR A 48 -10.779 1.519 4.925 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.551 2.665 6.488 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.721 1.208 6.456 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.215 -0.334 5.726 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.772 0.042 7.408 1.00 0.00 H new ATOM 725 N LEU A 49 -9.556 -0.647 3.503 1.00 0.00 N ATOM 726 CA LEU A 49 -9.673 -1.648 2.442 1.00 0.00 C ATOM 727 C LEU A 49 -8.630 -2.745 2.659 1.00 0.00 C ATOM 728 O LEU A 49 -8.912 -3.928 2.474 1.00 0.00 O ATOM 729 CB LEU A 49 -9.468 -1.036 1.047 1.00 0.00 C ATOM 730 CG LEU A 49 -10.701 -0.369 0.425 1.00 0.00 C ATOM 731 CD1 LEU A 49 -11.902 -1.322 0.361 1.00 0.00 C ATOM 732 CD2 LEU A 49 -11.078 0.933 1.131 1.00 0.00 C ATOM 0 H LEU A 49 -9.336 0.295 3.180 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.682 -2.059 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.670 -0.296 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.124 -1.821 0.373 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.422 -0.116 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.752 -0.807 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.645 -2.191 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -12.164 -1.646 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.957 1.365 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.299 0.728 2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.247 1.636 1.066 1.00 0.00 H new ATOM 744 N SER A 50 -7.422 -2.346 3.053 1.00 0.00 N ATOM 745 CA SER A 50 -6.347 -3.286 3.302 1.00 0.00 C ATOM 746 C SER A 50 -6.817 -4.353 4.290 1.00 0.00 C ATOM 747 O SER A 50 -6.731 -5.549 4.010 1.00 0.00 O ATOM 748 CB SER A 50 -5.079 -2.575 3.772 1.00 0.00 C ATOM 749 OG SER A 50 -4.686 -1.548 2.881 1.00 0.00 O ATOM 0 H SER A 50 -7.169 -1.370 3.206 1.00 0.00 H new ATOM 0 HA SER A 50 -6.085 -3.782 2.368 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.247 -2.151 4.762 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.271 -3.300 3.868 1.00 0.00 H new ATOM 0 HG SER A 50 -5.373 -0.850 2.863 1.00 0.00 H new ATOM 755 N ASN A 51 -7.352 -3.907 5.428 1.00 0.00 N ATOM 756 CA ASN A 51 -7.915 -4.782 6.444 1.00 0.00 C ATOM 757 C ASN A 51 -9.065 -5.607 5.861 1.00 0.00 C ATOM 758 O ASN A 51 -9.132 -6.810 6.092 1.00 0.00 O ATOM 759 CB ASN A 51 -8.397 -3.935 7.628 1.00 0.00 C ATOM 760 CG ASN A 51 -9.129 -4.786 8.660 1.00 0.00 C ATOM 761 OD1 ASN A 51 -8.520 -5.311 9.584 1.00 0.00 O ATOM 762 ND2 ASN A 51 -10.446 -4.919 8.525 1.00 0.00 N ATOM 0 H ASN A 51 -7.405 -2.917 5.668 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.149 -5.476 6.791 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.544 -3.445 8.098 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.059 -3.147 7.268 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.975 -5.470 9.201 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.927 -4.470 7.745 1.00 0.00 H new ATOM 769 N ASP A 52 -9.972 -4.956 5.122 1.00 0.00 N ATOM 770 CA ASP A 52 -11.144 -5.594 4.529 1.00 0.00 C ATOM 771 C ASP A 52 -10.779 -6.844 3.735 1.00 0.00 C ATOM 772 O ASP A 52 -11.334 -7.914 3.970 1.00 0.00 O ATOM 773 CB ASP A 52 -11.879 -4.606 3.613 1.00 0.00 C ATOM 774 CG ASP A 52 -13.168 -5.209 3.070 1.00 0.00 C ATOM 775 OD1 ASP A 52 -14.152 -5.229 3.840 1.00 0.00 O ATOM 776 OD2 ASP A 52 -13.144 -5.630 1.893 1.00 0.00 O ATOM 0 H ASP A 52 -9.908 -3.958 4.919 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.794 -5.895 5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.106 -3.694 4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.230 -4.323 2.784 1.00 0.00 H new ATOM 781 N TYR A 53 -9.852 -6.705 2.787 1.00 0.00 N ATOM 782 CA TYR A 53 -9.459 -7.821 1.945 1.00 0.00 C ATOM 783 C TYR A 53 -8.484 -8.735 2.680 1.00 0.00 C ATOM 784 O TYR A 53 -8.722 -9.937 2.774 1.00 0.00 O ATOM 785 CB TYR A 53 -8.789 -7.289 0.679 1.00 0.00 C ATOM 786 CG TYR A 53 -9.731 -6.792 -0.396 1.00 0.00 C ATOM 787 CD1 TYR A 53 -10.106 -5.438 -0.433 1.00 0.00 C ATOM 788 CD2 TYR A 53 -10.109 -7.651 -1.444 1.00 0.00 C ATOM 789 CE1 TYR A 53 -10.859 -4.949 -1.510 1.00 0.00 C ATOM 790 CE2 TYR A 53 -10.896 -7.167 -2.503 1.00 0.00 C ATOM 791 CZ TYR A 53 -11.315 -5.825 -2.505 1.00 0.00 C ATOM 792 OH TYR A 53 -12.134 -5.351 -3.483 1.00 0.00 O ATOM 0 H TYR A 53 -9.364 -5.832 2.588 1.00 0.00 H new ATOM 0 HA TYR A 53 -10.351 -8.393 1.687 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.121 -6.474 0.957 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.169 -8.080 0.257 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.814 -4.775 0.368 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.794 -8.684 -1.435 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -11.088 -3.895 -1.573 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -11.178 -7.824 -3.313 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.934 -4.406 -3.647 1.00 0.00 H new ATOM 802 N ALA A 54 -7.377 -8.155 3.163 1.00 0.00 N ATOM 803 CA ALA A 54 -6.256 -8.861 3.776 1.00 0.00 C ATOM 804 C ALA A 54 -6.021 -10.212 3.070 1.00 0.00 C ATOM 805 O ALA A 54 -5.856 -10.242 1.848 1.00 0.00 O ATOM 806 CB ALA A 54 -6.512 -8.972 5.285 1.00 0.00 C ATOM 0 H ALA A 54 -7.238 -7.145 3.134 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.325 -8.308 3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.682 -9.498 5.757 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.600 -7.974 5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.436 -9.524 5.458 1.00 0.00 H new ATOM 812 N GLY A 55 -6.010 -11.314 3.832 1.00 0.00 N ATOM 813 CA GLY A 55 -5.888 -12.696 3.381 1.00 0.00 C ATOM 814 C GLY A 55 -4.807 -12.944 2.328 1.00 0.00 C ATOM 815 O GLY A 55 -3.709 -13.395 2.653 1.00 0.00 O ATOM 0 H GLY A 55 -6.092 -11.253 4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.682 -13.327 4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.848 -13.015 2.975 1.00 0.00 H new ATOM 819 N LYS A 56 -5.150 -12.721 1.060 1.00 0.00 N ATOM 820 CA LYS A 56 -4.290 -12.930 -0.094 1.00 0.00 C ATOM 821 C LYS A 56 -3.492 -11.679 -0.478 1.00 0.00 C ATOM 822 O LYS A 56 -2.325 -11.797 -0.856 1.00 0.00 O ATOM 823 CB LYS A 56 -5.161 -13.345 -1.288 1.00 0.00 C ATOM 824 CG LYS A 56 -5.858 -14.694 -1.063 1.00 0.00 C ATOM 825 CD LYS A 56 -6.878 -15.008 -2.168 1.00 0.00 C ATOM 826 CE LYS A 56 -6.241 -15.139 -3.557 1.00 0.00 C ATOM 827 NZ LYS A 56 -7.232 -15.568 -4.559 1.00 0.00 N ATOM 0 H LYS A 56 -6.075 -12.375 0.803 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.572 -13.706 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.912 -12.577 -1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.542 -13.404 -2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.110 -15.486 -1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.362 -14.685 -0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.395 -15.936 -1.923 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.631 -14.220 -2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.810 -14.183 -3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.424 -15.859 -3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.769 -15.665 -5.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.637 -16.483 -4.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.990 -14.859 -4.623 1.00 0.00 H new ATOM 841 N VAL A 57 -4.122 -10.505 -0.394 1.00 0.00 N ATOM 842 CA VAL A 57 -3.641 -9.246 -0.957 1.00 0.00 C ATOM 843 C VAL A 57 -2.569 -8.570 -0.097 1.00 0.00 C ATOM 844 O VAL A 57 -2.758 -8.402 1.106 1.00 0.00 O ATOM 845 CB VAL A 57 -4.857 -8.310 -1.112 1.00 0.00 C ATOM 846 CG1 VAL A 57 -4.488 -6.985 -1.799 1.00 0.00 C ATOM 847 CG2 VAL A 57 -6.039 -8.979 -1.833 1.00 0.00 C ATOM 0 H VAL A 57 -5.016 -10.404 0.087 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.168 -9.457 -1.916 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.181 -8.085 -0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.377 -6.360 -1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.735 -6.465 -1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.090 -7.189 -2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.864 -8.272 -1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.729 -9.288 -2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.363 -9.853 -1.267 1.00 0.00 H new ATOM 857 N ILE A 58 -1.465 -8.138 -0.719 1.00 0.00 N ATOM 858 CA ILE A 58 -0.407 -7.406 -0.027 1.00 0.00 C ATOM 859 C ILE A 58 -0.767 -5.925 -0.178 1.00 0.00 C ATOM 860 O ILE A 58 -1.021 -5.474 -1.297 1.00 0.00 O ATOM 861 CB ILE A 58 0.979 -7.707 -0.642 1.00 0.00 C ATOM 862 CG1 ILE A 58 1.450 -9.167 -0.498 1.00 0.00 C ATOM 863 CG2 ILE A 58 2.059 -6.810 -0.015 1.00 0.00 C ATOM 864 CD1 ILE A 58 0.740 -10.134 -1.453 1.00 0.00 C ATOM 0 H ILE A 58 -1.284 -8.287 -1.712 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.339 -7.699 1.021 1.00 0.00 H new ATOM 0 HB ILE A 58 0.847 -7.507 -1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.524 -9.214 -0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.284 -9.495 0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.026 -7.038 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.813 -5.764 -0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.104 -6.991 1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.120 -11.144 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.332 -10.116 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.927 -9.831 -2.483 1.00 0.00 H new ATOM 876 N PHE A 59 -0.782 -5.162 0.919 1.00 0.00 N ATOM 877 CA PHE A 59 -1.112 -3.743 0.888 1.00 0.00 C ATOM 878 C PHE A 59 0.053 -2.948 1.464 1.00 0.00 C ATOM 879 O PHE A 59 0.350 -3.053 2.655 1.00 0.00 O ATOM 880 CB PHE A 59 -2.392 -3.488 1.671 1.00 0.00 C ATOM 881 CG PHE A 59 -3.641 -3.984 0.975 1.00 0.00 C ATOM 882 CD1 PHE A 59 -4.346 -3.117 0.121 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.181 -5.242 1.295 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.617 -3.468 -0.357 1.00 0.00 C ATOM 885 CE2 PHE A 59 -5.469 -5.580 0.846 1.00 0.00 C ATOM 886 CZ PHE A 59 -6.194 -4.688 0.032 1.00 0.00 C ATOM 0 H PHE A 59 -0.565 -5.515 1.851 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.281 -3.423 -0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.314 -3.971 2.645 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.489 -2.418 1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.906 -2.174 -0.169 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.609 -5.945 1.883 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.150 -2.803 -1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.905 -6.528 1.126 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.192 -4.942 -0.293 1.00 0.00 H new ATOM 896 N LEU A 60 0.696 -2.158 0.600 1.00 0.00 N ATOM 897 CA LEU A 60 1.866 -1.358 0.919 1.00 0.00 C ATOM 898 C LEU A 60 1.514 0.134 0.970 1.00 0.00 C ATOM 899 O LEU A 60 1.397 0.772 -0.076 1.00 0.00 O ATOM 900 CB LEU A 60 2.929 -1.594 -0.170 1.00 0.00 C ATOM 901 CG LEU A 60 3.502 -3.014 -0.283 1.00 0.00 C ATOM 902 CD1 LEU A 60 4.504 -3.050 -1.443 1.00 0.00 C ATOM 903 CD2 LEU A 60 4.221 -3.466 0.991 1.00 0.00 C ATOM 0 H LEU A 60 0.401 -2.059 -0.371 1.00 0.00 H new ATOM 0 HA LEU A 60 2.244 -1.653 1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.494 -1.326 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.756 -0.907 0.009 1.00 0.00 H new ATOM 0 HG LEU A 60 2.664 -3.691 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.919 -4.054 -1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.997 -2.781 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.309 -2.341 -1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.605 -4.477 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.049 -2.789 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.522 -3.455 1.827 1.00 0.00 H new ATOM 915 N LYS A 61 1.348 0.724 2.157 1.00 0.00 N ATOM 916 CA LYS A 61 1.224 2.179 2.234 1.00 0.00 C ATOM 917 C LYS A 61 2.661 2.707 2.134 1.00 0.00 C ATOM 918 O LYS A 61 3.500 2.352 2.963 1.00 0.00 O ATOM 919 CB LYS A 61 0.497 2.610 3.519 1.00 0.00 C ATOM 920 CG LYS A 61 0.584 4.120 3.788 1.00 0.00 C ATOM 921 CD LYS A 61 -0.153 4.952 2.731 1.00 0.00 C ATOM 922 CE LYS A 61 0.214 6.434 2.844 1.00 0.00 C ATOM 923 NZ LYS A 61 1.555 6.706 2.290 1.00 0.00 N ATOM 0 H LYS A 61 1.298 0.234 3.050 1.00 0.00 H new ATOM 0 HA LYS A 61 0.611 2.593 1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.551 2.320 3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.921 2.072 4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.165 4.335 4.771 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.631 4.420 3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.098 4.587 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.229 4.830 2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.527 7.034 2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.183 6.738 3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.570 7.656 1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.262 6.654 3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.779 5.999 1.561 1.00 0.00 H new ATOM 937 N VAL A 62 2.967 3.514 1.112 1.00 0.00 N ATOM 938 CA VAL A 62 4.326 3.967 0.842 1.00 0.00 C ATOM 939 C VAL A 62 4.409 5.488 0.740 1.00 0.00 C ATOM 940 O VAL A 62 3.560 6.147 0.135 1.00 0.00 O ATOM 941 CB VAL A 62 4.829 3.295 -0.448 1.00 0.00 C ATOM 942 CG1 VAL A 62 6.184 3.846 -0.907 1.00 0.00 C ATOM 943 CG2 VAL A 62 5.014 1.795 -0.195 1.00 0.00 C ATOM 0 H VAL A 62 2.275 3.869 0.451 1.00 0.00 H new ATOM 0 HA VAL A 62 4.965 3.678 1.677 1.00 0.00 H new ATOM 0 HB VAL A 62 4.086 3.495 -1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.493 3.338 -1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.096 4.915 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.928 3.677 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.370 1.314 -1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.743 1.648 0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.061 1.355 0.099 1.00 0.00 H new ATOM 953 N ASP A 63 5.479 6.024 1.335 1.00 0.00 N ATOM 954 CA ASP A 63 5.832 7.428 1.294 1.00 0.00 C ATOM 955 C ASP A 63 6.883 7.617 0.204 1.00 0.00 C ATOM 956 O ASP A 63 8.053 7.277 0.393 1.00 0.00 O ATOM 957 CB ASP A 63 6.385 7.874 2.652 1.00 0.00 C ATOM 958 CG ASP A 63 6.849 9.327 2.625 1.00 0.00 C ATOM 959 OD1 ASP A 63 6.461 10.055 1.683 1.00 0.00 O ATOM 960 OD2 ASP A 63 7.568 9.714 3.570 1.00 0.00 O ATOM 0 H ASP A 63 6.140 5.465 1.875 1.00 0.00 H new ATOM 0 HA ASP A 63 4.952 8.033 1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.616 7.752 3.415 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.219 7.231 2.934 1.00 0.00 H new ATOM 965 N VAL A 64 6.469 8.179 -0.933 1.00 0.00 N ATOM 966 CA VAL A 64 7.358 8.461 -2.054 1.00 0.00 C ATOM 967 C VAL A 64 8.537 9.332 -1.613 1.00 0.00 C ATOM 968 O VAL A 64 9.611 9.238 -2.201 1.00 0.00 O ATOM 969 CB VAL A 64 6.585 9.134 -3.202 1.00 0.00 C ATOM 970 CG1 VAL A 64 5.551 8.166 -3.775 1.00 0.00 C ATOM 971 CG2 VAL A 64 5.871 10.423 -2.785 1.00 0.00 C ATOM 0 H VAL A 64 5.500 8.452 -1.100 1.00 0.00 H new ATOM 0 HA VAL A 64 7.756 7.513 -2.416 1.00 0.00 H new ATOM 0 HB VAL A 64 7.331 9.401 -3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.009 8.651 -4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.056 7.278 -4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.850 7.877 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.347 10.843 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.154 10.202 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.603 11.143 -2.419 1.00 0.00 H new ATOM 981 N ASP A 65 8.349 10.167 -0.582 1.00 0.00 N ATOM 982 CA ASP A 65 9.418 11.012 -0.072 1.00 0.00 C ATOM 983 C ASP A 65 10.585 10.148 0.408 1.00 0.00 C ATOM 984 O ASP A 65 11.744 10.521 0.247 1.00 0.00 O ATOM 985 CB ASP A 65 8.900 11.883 1.075 1.00 0.00 C ATOM 986 CG ASP A 65 9.858 13.034 1.342 1.00 0.00 C ATOM 987 OD1 ASP A 65 9.882 13.940 0.478 1.00 0.00 O ATOM 988 OD2 ASP A 65 10.523 13.001 2.397 1.00 0.00 O ATOM 0 H ASP A 65 7.462 10.270 -0.089 1.00 0.00 H new ATOM 0 HA ASP A 65 9.767 11.661 -0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.913 12.273 0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.787 11.280 1.976 1.00 0.00 H new ATOM 993 N ALA A 66 10.271 8.988 0.998 1.00 0.00 N ATOM 994 CA ALA A 66 11.269 8.066 1.506 1.00 0.00 C ATOM 995 C ALA A 66 11.813 7.213 0.363 1.00 0.00 C ATOM 996 O ALA A 66 12.978 7.348 -0.009 1.00 0.00 O ATOM 997 CB ALA A 66 10.660 7.201 2.614 1.00 0.00 C ATOM 0 H ALA A 66 9.311 8.670 1.132 1.00 0.00 H new ATOM 0 HA ALA A 66 12.102 8.623 1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.414 6.510 2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.314 7.840 3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.818 6.636 2.213 1.00 0.00 H new ATOM 1003 N VAL A 67 10.984 6.348 -0.234 1.00 0.00 N ATOM 1004 CA VAL A 67 11.467 5.447 -1.282 1.00 0.00 C ATOM 1005 C VAL A 67 11.498 6.146 -2.645 1.00 0.00 C ATOM 1006 O VAL A 67 10.985 5.619 -3.631 1.00 0.00 O ATOM 1007 CB VAL A 67 10.673 4.130 -1.303 1.00 0.00 C ATOM 1008 CG1 VAL A 67 10.833 3.389 0.029 1.00 0.00 C ATOM 1009 CG2 VAL A 67 9.187 4.297 -1.614 1.00 0.00 C ATOM 0 H VAL A 67 9.993 6.255 -0.013 1.00 0.00 H new ATOM 0 HA VAL A 67 12.497 5.178 -1.048 1.00 0.00 H new ATOM 0 HB VAL A 67 11.098 3.549 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.265 2.459 -0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.887 3.166 0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.461 4.015 0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.702 3.321 -1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.727 4.935 -0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.070 4.755 -2.596 1.00 0.00 H new ATOM 1019 N ALA A 68 12.170 7.299 -2.719 1.00 0.00 N ATOM 1020 CA ALA A 68 12.300 8.092 -3.937 1.00 0.00 C ATOM 1021 C ALA A 68 12.702 7.209 -5.124 1.00 0.00 C ATOM 1022 O ALA A 68 12.130 7.320 -6.206 1.00 0.00 O ATOM 1023 CB ALA A 68 13.330 9.199 -3.709 1.00 0.00 C ATOM 0 H ALA A 68 12.646 7.712 -1.917 1.00 0.00 H new ATOM 0 HA ALA A 68 11.336 8.542 -4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.431 9.795 -4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.001 9.839 -2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.293 8.754 -3.458 1.00 0.00 H new ATOM 1029 N ALA A 69 13.658 6.304 -4.895 1.00 0.00 N ATOM 1030 CA ALA A 69 14.146 5.366 -5.895 1.00 0.00 C ATOM 1031 C ALA A 69 13.003 4.514 -6.458 1.00 0.00 C ATOM 1032 O ALA A 69 12.853 4.395 -7.675 1.00 0.00 O ATOM 1033 CB ALA A 69 15.220 4.474 -5.266 1.00 0.00 C ATOM 0 H ALA A 69 14.119 6.206 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 69 14.577 5.927 -6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.589 3.769 -6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.045 5.092 -4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.792 3.925 -4.428 1.00 0.00 H new ATOM 1039 N VAL A 70 12.191 3.915 -5.581 1.00 0.00 N ATOM 1040 CA VAL A 70 11.088 3.079 -6.032 1.00 0.00 C ATOM 1041 C VAL A 70 10.057 3.955 -6.726 1.00 0.00 C ATOM 1042 O VAL A 70 9.543 3.577 -7.770 1.00 0.00 O ATOM 1043 CB VAL A 70 10.440 2.304 -4.878 1.00 0.00 C ATOM 1044 CG1 VAL A 70 9.374 1.357 -5.439 1.00 0.00 C ATOM 1045 CG2 VAL A 70 11.451 1.429 -4.144 1.00 0.00 C ATOM 0 H VAL A 70 12.279 3.995 -4.568 1.00 0.00 H new ATOM 0 HA VAL A 70 11.482 2.338 -6.728 1.00 0.00 H new ATOM 0 HB VAL A 70 10.021 3.041 -4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.911 0.805 -4.621 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.613 1.935 -5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.839 0.657 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.952 0.897 -3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.882 0.709 -4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.243 2.055 -3.733 1.00 0.00 H new ATOM 1055 N ALA A 71 9.752 5.115 -6.146 1.00 0.00 N ATOM 1056 CA ALA A 71 8.783 6.043 -6.708 1.00 0.00 C ATOM 1057 C ALA A 71 9.145 6.382 -8.163 1.00 0.00 C ATOM 1058 O ALA A 71 8.332 6.194 -9.071 1.00 0.00 O ATOM 1059 CB ALA A 71 8.719 7.300 -5.834 1.00 0.00 C ATOM 0 H ALA A 71 10.172 5.434 -5.273 1.00 0.00 H new ATOM 0 HA ALA A 71 7.796 5.581 -6.720 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.994 7.998 -6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.417 7.025 -4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.701 7.772 -5.804 1.00 0.00 H new ATOM 1065 N GLU A 72 10.367 6.868 -8.404 1.00 0.00 N ATOM 1066 CA GLU A 72 10.778 7.243 -9.751 1.00 0.00 C ATOM 1067 C GLU A 72 10.855 6.009 -10.659 1.00 0.00 C ATOM 1068 O GLU A 72 10.394 6.072 -11.794 1.00 0.00 O ATOM 1069 CB GLU A 72 12.085 8.053 -9.722 1.00 0.00 C ATOM 1070 CG GLU A 72 13.330 7.260 -9.309 1.00 0.00 C ATOM 1071 CD GLU A 72 14.523 8.180 -9.075 1.00 0.00 C ATOM 1072 OE1 GLU A 72 15.069 8.666 -10.089 1.00 0.00 O ATOM 1073 OE2 GLU A 72 14.862 8.387 -7.890 1.00 0.00 O ATOM 0 H GLU A 72 11.080 7.008 -7.688 1.00 0.00 H new ATOM 0 HA GLU A 72 10.021 7.899 -10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.254 8.476 -10.712 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.961 8.890 -9.034 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.119 6.696 -8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.575 6.534 -10.085 1.00 0.00 H new ATOM 1080 N ALA A 73 11.404 4.887 -10.174 1.00 0.00 N ATOM 1081 CA ALA A 73 11.498 3.668 -10.974 1.00 0.00 C ATOM 1082 C ALA A 73 10.108 3.189 -11.405 1.00 0.00 C ATOM 1083 O ALA A 73 9.901 2.817 -12.557 1.00 0.00 O ATOM 1084 CB ALA A 73 12.217 2.580 -10.171 1.00 0.00 C ATOM 0 H ALA A 73 11.788 4.803 -9.233 1.00 0.00 H new ATOM 0 HA ALA A 73 12.071 3.883 -11.876 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.286 1.672 -10.770 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.219 2.921 -9.912 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.658 2.372 -9.259 1.00 0.00 H new ATOM 1090 N ALA A 74 9.160 3.186 -10.466 1.00 0.00 N ATOM 1091 CA ALA A 74 7.776 2.797 -10.686 1.00 0.00 C ATOM 1092 C ALA A 74 7.117 3.763 -11.674 1.00 0.00 C ATOM 1093 O ALA A 74 6.315 3.347 -12.507 1.00 0.00 O ATOM 1094 CB ALA A 74 7.048 2.769 -9.341 1.00 0.00 C ATOM 0 H ALA A 74 9.346 3.464 -9.502 1.00 0.00 H new ATOM 0 HA ALA A 74 7.725 1.800 -11.123 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.009 2.478 -9.496 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.532 2.049 -8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.084 3.759 -8.887 1.00 0.00 H new ATOM 1100 N GLY A 75 7.449 5.052 -11.559 1.00 0.00 N ATOM 1101 CA GLY A 75 7.003 6.102 -12.465 1.00 0.00 C ATOM 1102 C GLY A 75 5.997 7.042 -11.809 1.00 0.00 C ATOM 1103 O GLY A 75 4.995 7.406 -12.421 1.00 0.00 O ATOM 0 H GLY A 75 8.051 5.398 -10.812 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.865 6.676 -12.805 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.552 5.650 -13.348 1.00 0.00 H new ATOM 1107 N ILE A 76 6.249 7.443 -10.562 1.00 0.00 N ATOM 1108 CA ILE A 76 5.389 8.390 -9.866 1.00 0.00 C ATOM 1109 C ILE A 76 5.678 9.788 -10.411 1.00 0.00 C ATOM 1110 O ILE A 76 6.835 10.194 -10.506 1.00 0.00 O ATOM 1111 CB ILE A 76 5.624 8.302 -8.343 1.00 0.00 C ATOM 1112 CG1 ILE A 76 4.719 7.229 -7.715 1.00 0.00 C ATOM 1113 CG2 ILE A 76 5.314 9.626 -7.625 1.00 0.00 C ATOM 1114 CD1 ILE A 76 4.833 5.858 -8.381 1.00 0.00 C ATOM 0 H ILE A 76 7.047 7.122 -10.014 1.00 0.00 H new ATOM 0 HA ILE A 76 4.338 8.156 -10.037 1.00 0.00 H new ATOM 0 HB ILE A 76 6.678 8.056 -8.218 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.967 7.131 -6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.683 7.564 -7.769 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.495 9.511 -6.556 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.957 10.413 -8.020 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.270 9.893 -7.789 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.165 5.155 -7.883 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.556 5.940 -9.432 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.860 5.500 -8.304 1.00 0.00 H new ATOM 1126 N THR A 77 4.616 10.512 -10.762 1.00 0.00 N ATOM 1127 CA THR A 77 4.655 11.889 -11.214 1.00 0.00 C ATOM 1128 C THR A 77 3.949 12.698 -10.128 1.00 0.00 C ATOM 1129 O THR A 77 4.584 13.372 -9.319 1.00 0.00 O ATOM 1130 CB THR A 77 3.960 11.976 -12.581 1.00 0.00 C ATOM 1131 OG1 THR A 77 2.704 11.319 -12.520 1.00 0.00 O ATOM 1132 CG2 THR A 77 4.814 11.295 -13.656 1.00 0.00 C ATOM 0 H THR A 77 3.669 10.133 -10.736 1.00 0.00 H new ATOM 0 HA THR A 77 5.663 12.278 -11.356 1.00 0.00 H new ATOM 0 HB THR A 77 3.824 13.028 -12.834 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.262 11.377 -13.393 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.309 11.364 -14.620 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.783 11.789 -13.718 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.958 10.246 -13.396 1.00 0.00 H new ATOM 1140 N ALA A 78 2.622 12.590 -10.102 1.00 0.00 N ATOM 1141 CA ALA A 78 1.765 13.177 -9.088 1.00 0.00 C ATOM 1142 C ALA A 78 1.582 12.170 -7.950 1.00 0.00 C ATOM 1143 O ALA A 78 1.850 10.979 -8.107 1.00 0.00 O ATOM 1144 CB ALA A 78 0.416 13.542 -9.713 1.00 0.00 C ATOM 0 H ALA A 78 2.102 12.074 -10.812 1.00 0.00 H new ATOM 0 HA ALA A 78 2.217 14.085 -8.688 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.229 13.983 -8.953 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.571 14.259 -10.519 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.055 12.644 -10.112 1.00 0.00 H new ATOM 1150 N MET A 79 1.116 12.651 -6.801 1.00 0.00 N ATOM 1151 CA MET A 79 0.820 11.858 -5.622 1.00 0.00 C ATOM 1152 C MET A 79 -0.502 12.400 -5.067 1.00 0.00 C ATOM 1153 O MET A 79 -0.678 13.620 -5.084 1.00 0.00 O ATOM 1154 CB MET A 79 1.973 11.938 -4.603 1.00 0.00 C ATOM 1155 CG MET A 79 2.288 13.339 -4.043 1.00 0.00 C ATOM 1156 SD MET A 79 2.869 14.629 -5.182 1.00 0.00 S ATOM 1157 CE MET A 79 4.342 13.837 -5.870 1.00 0.00 C ATOM 0 H MET A 79 0.928 13.644 -6.665 1.00 0.00 H new ATOM 0 HA MET A 79 0.720 10.798 -5.857 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.738 11.279 -3.767 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.875 11.546 -5.074 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.386 13.710 -3.557 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.043 13.221 -3.266 1.00 0.00 H new ATOM 0 HE1 MET A 79 4.900 14.560 -6.465 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.972 13.472 -5.058 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.044 13.001 -6.502 1.00 0.00 H new ATOM 1167 N PRO A 80 -1.438 11.566 -4.585 1.00 0.00 N ATOM 1168 CA PRO A 80 -1.386 10.112 -4.514 1.00 0.00 C ATOM 1169 C PRO A 80 -1.297 9.406 -5.863 1.00 0.00 C ATOM 1170 O PRO A 80 -1.716 9.944 -6.887 1.00 0.00 O ATOM 1171 CB PRO A 80 -2.695 9.688 -3.850 1.00 0.00 C ATOM 1172 CG PRO A 80 -3.004 10.879 -2.957 1.00 0.00 C ATOM 1173 CD PRO A 80 -2.593 12.047 -3.850 1.00 0.00 C ATOM 0 HA PRO A 80 -0.482 9.833 -3.973 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.484 9.512 -4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.581 8.768 -3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.058 10.923 -2.684 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.434 10.853 -2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.400 12.332 -4.525 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.346 12.929 -3.259 1.00 0.00 H new ATOM 1181 N THR A 81 -0.755 8.191 -5.835 1.00 0.00 N ATOM 1182 CA THR A 81 -0.666 7.281 -6.960 1.00 0.00 C ATOM 1183 C THR A 81 -0.851 5.875 -6.392 1.00 0.00 C ATOM 1184 O THR A 81 -0.285 5.551 -5.351 1.00 0.00 O ATOM 1185 CB THR A 81 0.668 7.478 -7.697 1.00 0.00 C ATOM 1186 OG1 THR A 81 0.588 8.621 -8.523 1.00 0.00 O ATOM 1187 CG2 THR A 81 1.012 6.305 -8.615 1.00 0.00 C ATOM 0 H THR A 81 -0.349 7.802 -4.984 1.00 0.00 H new ATOM 0 HA THR A 81 -1.435 7.466 -7.710 1.00 0.00 H new ATOM 0 HB THR A 81 1.433 7.572 -6.926 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.139 9.337 -8.144 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.964 6.497 -9.110 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.088 5.391 -8.025 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.230 6.189 -9.365 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.659 5.049 -7.056 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.954 3.687 -6.646 1.00 0.00 C ATOM 1197 C PHE A 82 -1.508 2.754 -7.762 1.00 0.00 C ATOM 1198 O PHE A 82 -1.969 2.910 -8.891 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.455 3.545 -6.377 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.910 4.245 -5.111 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -4.263 5.609 -5.131 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -3.902 3.543 -3.891 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -4.627 6.259 -3.939 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -4.305 4.187 -2.710 1.00 0.00 C ATOM 1205 CZ PHE A 82 -4.634 5.549 -2.727 1.00 0.00 C ATOM 0 H PHE A 82 -2.136 5.321 -7.916 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.425 3.434 -5.727 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.008 3.949 -7.225 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.705 2.486 -6.308 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.254 6.155 -6.063 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.586 2.511 -3.863 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.901 7.304 -3.955 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.362 3.631 -1.786 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.893 6.053 -1.808 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.600 1.817 -7.472 1.00 0.00 N ATOM 1216 CA HIS A 83 -0.124 0.837 -8.449 1.00 0.00 C ATOM 1217 C HIS A 83 -0.445 -0.568 -7.952 1.00 0.00 C ATOM 1218 O HIS A 83 -0.533 -0.785 -6.741 1.00 0.00 O ATOM 1219 CB HIS A 83 1.388 0.932 -8.663 1.00 0.00 C ATOM 1220 CG HIS A 83 1.936 2.113 -9.408 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.287 2.140 -9.750 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.344 3.271 -9.838 1.00 0.00 C ATOM 1223 CE1 HIS A 83 3.449 3.300 -10.394 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.313 4.006 -10.487 1.00 0.00 N ATOM 0 H HIS A 83 -0.174 1.718 -6.550 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.625 1.047 -9.394 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.863 0.910 -7.682 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.705 0.032 -9.190 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.312 3.555 -9.695 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.394 3.633 -10.797 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.190 4.908 -10.947 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.587 -1.514 -8.887 1.00 0.00 N ATOM 1233 CA VAL A 84 -0.826 -2.916 -8.595 1.00 0.00 C ATOM 1234 C VAL A 84 0.248 -3.751 -9.290 1.00 0.00 C ATOM 1235 O VAL A 84 0.391 -3.662 -10.509 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.219 -3.356 -9.079 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.525 -4.738 -8.488 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.330 -2.380 -8.676 1.00 0.00 C ATOM 0 H VAL A 84 -0.537 -1.314 -9.886 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.784 -3.064 -7.516 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.197 -3.381 -10.169 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.510 -5.066 -8.821 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.772 -5.452 -8.823 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.511 -4.680 -7.400 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.288 -2.746 -9.046 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.368 -2.300 -7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.126 -1.399 -9.105 1.00 0.00 H new ATOM 1248 N TYR A 85 0.996 -4.557 -8.532 1.00 0.00 N ATOM 1249 CA TYR A 85 1.992 -5.492 -9.053 1.00 0.00 C ATOM 1250 C TYR A 85 1.452 -6.893 -8.737 1.00 0.00 C ATOM 1251 O TYR A 85 1.176 -7.182 -7.575 1.00 0.00 O ATOM 1252 CB TYR A 85 3.368 -5.227 -8.419 1.00 0.00 C ATOM 1253 CG TYR A 85 3.925 -3.835 -8.673 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.429 -2.724 -7.965 1.00 0.00 C ATOM 1255 CD2 TYR A 85 4.951 -3.647 -9.618 1.00 0.00 C ATOM 1256 CE1 TYR A 85 3.874 -1.430 -8.287 1.00 0.00 C ATOM 1257 CE2 TYR A 85 5.401 -2.352 -9.929 1.00 0.00 C ATOM 1258 CZ TYR A 85 4.810 -1.239 -9.315 1.00 0.00 C ATOM 1259 OH TYR A 85 5.128 0.018 -9.740 1.00 0.00 O ATOM 0 H TYR A 85 0.923 -4.577 -7.515 1.00 0.00 H new ATOM 0 HA TYR A 85 2.145 -5.380 -10.126 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.294 -5.383 -7.343 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.077 -5.963 -8.800 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.707 -2.866 -7.175 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.395 -4.502 -10.107 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.494 -0.579 -7.741 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.202 -2.215 -10.641 1.00 0.00 H new ATOM 0 HH TYR A 85 4.314 0.560 -9.796 1.00 0.00 H new ATOM 1269 N LYS A 86 1.196 -7.723 -9.756 1.00 0.00 N ATOM 1270 CA LYS A 86 0.611 -9.057 -9.572 1.00 0.00 C ATOM 1271 C LYS A 86 1.681 -10.135 -9.393 1.00 0.00 C ATOM 1272 O LYS A 86 1.654 -10.887 -8.424 1.00 0.00 O ATOM 1273 CB LYS A 86 -0.292 -9.396 -10.771 1.00 0.00 C ATOM 1274 CG LYS A 86 -1.651 -8.685 -10.685 1.00 0.00 C ATOM 1275 CD LYS A 86 -2.638 -9.419 -9.761 1.00 0.00 C ATOM 1276 CE LYS A 86 -3.312 -10.615 -10.447 1.00 0.00 C ATOM 1277 NZ LYS A 86 -4.170 -11.352 -9.501 1.00 0.00 N ATOM 0 H LYS A 86 1.388 -7.489 -10.730 1.00 0.00 H new ATOM 0 HA LYS A 86 0.018 -9.038 -8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.210 -9.109 -11.695 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.448 -10.474 -10.814 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.504 -7.668 -10.321 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.081 -8.607 -11.683 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.109 -9.765 -8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.403 -8.720 -9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.909 -10.266 -11.290 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.551 -11.283 -10.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.779 -12.012 -10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.575 -11.885 -8.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.762 -10.680 -8.973 1.00 0.00 H new ATOM 1291 N ASP A 87 2.573 -10.253 -10.377 1.00 0.00 N ATOM 1292 CA ASP A 87 3.656 -11.233 -10.419 1.00 0.00 C ATOM 1293 C ASP A 87 4.936 -10.642 -9.835 1.00 0.00 C ATOM 1294 O ASP A 87 5.685 -11.282 -9.106 1.00 0.00 O ATOM 1295 CB ASP A 87 3.891 -11.642 -11.883 1.00 0.00 C ATOM 1296 CG ASP A 87 4.383 -10.530 -12.808 1.00 0.00 C ATOM 1297 OD1 ASP A 87 3.921 -9.382 -12.618 1.00 0.00 O ATOM 1298 OD2 ASP A 87 5.221 -10.843 -13.679 1.00 0.00 O ATOM 0 H ASP A 87 2.560 -9.646 -11.196 1.00 0.00 H new ATOM 0 HA ASP A 87 3.381 -12.104 -9.825 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.618 -12.454 -11.902 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.959 -12.039 -12.285 1.00 0.00 H new ATOM 1303 N GLY A 88 5.173 -9.395 -10.217 1.00 0.00 N ATOM 1304 CA GLY A 88 6.336 -8.593 -9.885 1.00 0.00 C ATOM 1305 C GLY A 88 6.372 -7.335 -10.751 1.00 0.00 C ATOM 1306 O GLY A 88 6.976 -6.337 -10.367 1.00 0.00 O ATOM 0 H GLY A 88 4.513 -8.886 -10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.308 -8.317 -8.831 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.245 -9.175 -10.038 1.00 0.00 H new ATOM 1310 N VAL A 89 5.730 -7.380 -11.924 1.00 0.00 N ATOM 1311 CA VAL A 89 5.633 -6.282 -12.865 1.00 0.00 C ATOM 1312 C VAL A 89 4.363 -5.488 -12.568 1.00 0.00 C ATOM 1313 O VAL A 89 3.372 -6.049 -12.100 1.00 0.00 O ATOM 1314 CB VAL A 89 5.610 -6.852 -14.297 1.00 0.00 C ATOM 1315 CG1 VAL A 89 5.712 -5.739 -15.350 1.00 0.00 C ATOM 1316 CG2 VAL A 89 6.749 -7.857 -14.527 1.00 0.00 C ATOM 0 H VAL A 89 5.249 -8.219 -12.247 1.00 0.00 H new ATOM 0 HA VAL A 89 6.490 -5.615 -12.771 1.00 0.00 H new ATOM 0 HB VAL A 89 4.654 -7.364 -14.406 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.693 -6.179 -16.347 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.871 -5.055 -15.239 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.645 -5.192 -15.213 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.699 -8.236 -15.548 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.708 -7.363 -14.370 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.650 -8.686 -13.826 1.00 0.00 H new ATOM 1326 N LYS A 90 4.407 -4.177 -12.826 1.00 0.00 N ATOM 1327 CA LYS A 90 3.277 -3.276 -12.664 1.00 0.00 C ATOM 1328 C LYS A 90 2.151 -3.765 -13.579 1.00 0.00 C ATOM 1329 O LYS A 90 2.198 -3.565 -14.791 1.00 0.00 O ATOM 1330 CB LYS A 90 3.719 -1.846 -13.011 1.00 0.00 C ATOM 1331 CG LYS A 90 2.660 -0.809 -12.615 1.00 0.00 C ATOM 1332 CD LYS A 90 3.175 0.623 -12.820 1.00 0.00 C ATOM 1333 CE LYS A 90 3.549 0.952 -14.272 1.00 0.00 C ATOM 1334 NZ LYS A 90 2.460 0.634 -15.212 1.00 0.00 N ATOM 0 H LYS A 90 5.250 -3.709 -13.160 1.00 0.00 H new ATOM 0 HA LYS A 90 2.915 -3.267 -11.636 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.656 -1.622 -12.501 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.914 -1.776 -14.081 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.759 -0.962 -13.209 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.382 -0.951 -11.571 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.411 1.324 -12.485 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.049 0.778 -12.187 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.797 2.010 -14.351 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.442 0.393 -14.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.716 0.965 -16.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.308 -0.395 -15.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.586 1.107 -14.904 1.00 0.00 H new ATOM 1348 N ALA A 91 1.151 -4.418 -12.996 1.00 0.00 N ATOM 1349 CA ALA A 91 0.024 -4.978 -13.716 1.00 0.00 C ATOM 1350 C ALA A 91 -0.986 -3.889 -14.046 1.00 0.00 C ATOM 1351 O ALA A 91 -1.650 -3.957 -15.077 1.00 0.00 O ATOM 1352 CB ALA A 91 -0.622 -6.074 -12.864 1.00 0.00 C ATOM 0 H ALA A 91 1.105 -4.573 -11.989 1.00 0.00 H new ATOM 0 HA ALA A 91 0.370 -5.411 -14.654 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.470 -6.499 -13.400 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.109 -6.857 -12.663 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.965 -5.647 -11.922 1.00 0.00 H new ATOM 1358 N ASP A 92 -1.122 -2.896 -13.162 1.00 0.00 N ATOM 1359 CA ASP A 92 -2.073 -1.809 -13.347 1.00 0.00 C ATOM 1360 C ASP A 92 -1.648 -0.611 -12.499 1.00 0.00 C ATOM 1361 O ASP A 92 -0.794 -0.757 -11.620 1.00 0.00 O ATOM 1362 CB ASP A 92 -3.465 -2.315 -12.947 1.00 0.00 C ATOM 1363 CG ASP A 92 -4.617 -1.584 -13.624 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -4.418 -0.421 -14.036 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -5.693 -2.220 -13.700 1.00 0.00 O ATOM 0 H ASP A 92 -0.576 -2.828 -12.303 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.099 -1.486 -14.388 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.535 -3.377 -13.184 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.576 -2.222 -11.867 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.244 0.558 -12.744 1.00 0.00 N ATOM 1371 CA ASP A 93 -1.955 1.780 -12.011 1.00 0.00 C ATOM 1372 C ASP A 93 -3.079 2.796 -12.152 1.00 0.00 C ATOM 1373 O ASP A 93 -3.968 2.658 -12.988 1.00 0.00 O ATOM 1374 CB ASP A 93 -0.625 2.399 -12.451 1.00 0.00 C ATOM 1375 CG ASP A 93 -0.577 2.717 -13.940 1.00 0.00 C ATOM 1376 OD1 ASP A 93 -1.025 3.827 -14.294 1.00 0.00 O ATOM 1377 OD2 ASP A 93 -0.067 1.856 -14.688 1.00 0.00 O ATOM 0 H ASP A 93 -2.951 0.678 -13.469 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.873 1.505 -10.960 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.452 3.314 -11.884 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.186 1.714 -12.206 1.00 0.00 H new ATOM 1382 N LEU A 94 -3.017 3.811 -11.290 1.00 0.00 N ATOM 1383 CA LEU A 94 -4.001 4.866 -11.141 1.00 0.00 C ATOM 1384 C LEU A 94 -3.331 6.046 -10.433 1.00 0.00 C ATOM 1385 O LEU A 94 -2.420 5.835 -9.635 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.165 4.253 -10.344 1.00 0.00 C ATOM 1387 CG LEU A 94 -6.266 5.163 -9.787 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -5.836 5.917 -8.517 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -6.881 6.051 -10.877 1.00 0.00 C ATOM 0 H LEU A 94 -2.234 3.919 -10.645 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.388 5.248 -12.086 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.646 3.515 -10.986 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.734 3.711 -9.502 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.077 4.517 -9.450 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.657 6.544 -8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.574 5.200 -7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.971 6.542 -8.740 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.657 6.680 -10.439 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.106 6.681 -11.313 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.318 5.424 -11.654 1.00 0.00 H new ATOM 1401 N VAL A 95 -3.764 7.278 -10.720 1.00 0.00 N ATOM 1402 CA VAL A 95 -3.258 8.501 -10.117 1.00 0.00 C ATOM 1403 C VAL A 95 -4.387 9.264 -9.414 1.00 0.00 C ATOM 1404 O VAL A 95 -5.565 9.110 -9.746 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.574 9.375 -11.186 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -1.316 8.680 -11.718 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -3.503 9.730 -12.356 1.00 0.00 C ATOM 0 H VAL A 95 -4.502 7.450 -11.403 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.515 8.241 -9.363 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.304 10.310 -10.694 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.844 9.310 -12.472 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.619 8.512 -10.897 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.590 7.723 -12.163 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.963 10.346 -13.075 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.840 8.815 -12.843 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.366 10.281 -11.981 1.00 0.00 H new ATOM 1417 N GLY A 96 -4.017 10.093 -8.436 1.00 0.00 N ATOM 1418 CA GLY A 96 -4.942 10.930 -7.693 1.00 0.00 C ATOM 1419 C GLY A 96 -5.718 10.138 -6.643 1.00 0.00 C ATOM 1420 O GLY A 96 -5.590 8.919 -6.524 1.00 0.00 O ATOM 0 H GLY A 96 -3.047 10.198 -8.138 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.391 11.734 -7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.643 11.397 -8.385 1.00 0.00 H new ATOM 1424 N ALA A 97 -6.554 10.844 -5.877 1.00 0.00 N ATOM 1425 CA ALA A 97 -7.374 10.285 -4.806 1.00 0.00 C ATOM 1426 C ALA A 97 -8.595 9.545 -5.372 1.00 0.00 C ATOM 1427 O ALA A 97 -9.718 9.722 -4.899 1.00 0.00 O ATOM 1428 CB ALA A 97 -7.819 11.440 -3.905 1.00 0.00 C ATOM 0 H ALA A 97 -6.681 11.850 -5.991 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.793 9.559 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.435 11.052 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.942 11.936 -3.489 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.398 12.155 -4.490 1.00 0.00 H new ATOM 1434 N SER A 98 -8.396 8.709 -6.390 1.00 0.00 N ATOM 1435 CA SER A 98 -9.475 8.014 -7.072 1.00 0.00 C ATOM 1436 C SER A 98 -9.909 6.792 -6.256 1.00 0.00 C ATOM 1437 O SER A 98 -9.717 5.655 -6.682 1.00 0.00 O ATOM 1438 CB SER A 98 -8.994 7.640 -8.477 1.00 0.00 C ATOM 1439 OG SER A 98 -8.384 8.760 -9.106 1.00 0.00 O ATOM 0 H SER A 98 -7.471 8.496 -6.764 1.00 0.00 H new ATOM 0 HA SER A 98 -10.352 8.654 -7.168 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.283 6.816 -8.418 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.836 7.292 -9.076 1.00 0.00 H new ATOM 0 HG SER A 98 -7.423 8.595 -9.207 1.00 0.00 H new ATOM 1445 N GLN A 99 -10.496 7.030 -5.079 1.00 0.00 N ATOM 1446 CA GLN A 99 -10.939 5.993 -4.147 1.00 0.00 C ATOM 1447 C GLN A 99 -11.782 4.919 -4.843 1.00 0.00 C ATOM 1448 O GLN A 99 -11.591 3.724 -4.618 1.00 0.00 O ATOM 1449 CB GLN A 99 -11.750 6.631 -3.005 1.00 0.00 C ATOM 1450 CG GLN A 99 -10.994 7.731 -2.245 1.00 0.00 C ATOM 1451 CD GLN A 99 -9.626 7.262 -1.768 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -8.598 7.709 -2.266 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -9.605 6.342 -0.808 1.00 0.00 N ATOM 0 H GLN A 99 -10.680 7.975 -4.741 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.049 5.507 -3.746 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.668 7.052 -3.415 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.043 5.852 -2.301 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.873 8.600 -2.892 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.586 8.051 -1.388 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.480 5.993 -0.417 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.714 5.985 -0.463 1.00 0.00 H new ATOM 1462 N ASP A 100 -12.722 5.349 -5.683 1.00 0.00 N ATOM 1463 CA ASP A 100 -13.587 4.470 -6.457 1.00 0.00 C ATOM 1464 C ASP A 100 -12.744 3.524 -7.317 1.00 0.00 C ATOM 1465 O ASP A 100 -12.952 2.310 -7.321 1.00 0.00 O ATOM 1466 CB ASP A 100 -14.532 5.319 -7.328 1.00 0.00 C ATOM 1467 CG ASP A 100 -13.810 6.146 -8.396 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -12.763 6.741 -8.051 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -14.304 6.149 -9.542 1.00 0.00 O ATOM 0 H ASP A 100 -12.905 6.339 -5.846 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.189 3.861 -5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.251 4.661 -7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.100 5.990 -6.684 1.00 0.00 H new ATOM 1474 N LYS A 101 -11.772 4.086 -8.038 1.00 0.00 N ATOM 1475 CA LYS A 101 -10.913 3.315 -8.911 1.00 0.00 C ATOM 1476 C LYS A 101 -10.025 2.401 -8.072 1.00 0.00 C ATOM 1477 O LYS A 101 -9.801 1.264 -8.465 1.00 0.00 O ATOM 1478 CB LYS A 101 -10.109 4.258 -9.814 1.00 0.00 C ATOM 1479 CG LYS A 101 -9.369 3.527 -10.947 1.00 0.00 C ATOM 1480 CD LYS A 101 -10.254 2.660 -11.854 1.00 0.00 C ATOM 1481 CE LYS A 101 -11.439 3.441 -12.439 1.00 0.00 C ATOM 1482 NZ LYS A 101 -12.202 2.618 -13.394 1.00 0.00 N ATOM 0 H LYS A 101 -11.566 5.085 -8.027 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.508 2.678 -9.566 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.782 4.998 -10.247 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.385 4.802 -9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.860 4.268 -11.564 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.598 2.895 -10.507 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.651 2.258 -12.668 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.629 1.809 -11.285 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.095 3.769 -11.633 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.075 4.339 -12.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.996 3.172 -13.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.580 2.326 -14.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.569 1.774 -12.909 1.00 0.00 H new ATOM 1496 N LEU A 102 -9.527 2.870 -6.922 1.00 0.00 N ATOM 1497 CA LEU A 102 -8.732 2.047 -6.017 1.00 0.00 C ATOM 1498 C LEU A 102 -9.561 0.814 -5.648 1.00 0.00 C ATOM 1499 O LEU A 102 -9.124 -0.310 -5.886 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.285 2.887 -4.804 1.00 0.00 C ATOM 1501 CG LEU A 102 -7.436 2.186 -3.725 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -8.288 1.461 -2.675 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -6.369 1.251 -4.304 1.00 0.00 C ATOM 0 H LEU A 102 -9.666 3.827 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.813 1.697 -6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.718 3.740 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.179 3.284 -4.323 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.909 2.994 -3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.636 0.987 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.936 2.179 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.898 0.701 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.808 0.791 -3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.850 0.474 -4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.689 1.822 -4.936 1.00 0.00 H new ATOM 1515 N LYS A 103 -10.775 1.007 -5.120 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.666 -0.090 -4.769 1.00 0.00 C ATOM 1517 C LYS A 103 -11.827 -1.051 -5.955 1.00 0.00 C ATOM 1518 O LYS A 103 -11.592 -2.255 -5.824 1.00 0.00 O ATOM 1519 CB LYS A 103 -13.025 0.483 -4.348 1.00 0.00 C ATOM 1520 CG LYS A 103 -12.972 1.172 -2.979 1.00 0.00 C ATOM 1521 CD LYS A 103 -14.293 1.915 -2.737 1.00 0.00 C ATOM 1522 CE LYS A 103 -14.375 2.513 -1.328 1.00 0.00 C ATOM 1523 NZ LYS A 103 -14.532 1.470 -0.299 1.00 0.00 N ATOM 0 H LYS A 103 -11.162 1.931 -4.926 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.240 -0.653 -3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.363 1.198 -5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.761 -0.320 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.806 0.435 -2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.136 1.870 -2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.400 2.711 -3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -15.126 1.228 -2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -13.473 3.091 -1.125 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.215 3.205 -1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -13.967 1.720 0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.534 1.395 -0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -14.206 0.558 -0.677 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.211 -0.511 -7.119 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.401 -1.301 -8.329 1.00 0.00 C ATOM 1539 C ALA A 104 -11.142 -2.108 -8.668 1.00 0.00 C ATOM 1540 O ALA A 104 -11.233 -3.285 -9.010 1.00 0.00 O ATOM 1541 CB ALA A 104 -12.780 -0.377 -9.489 1.00 0.00 C ATOM 0 H ALA A 104 -12.397 0.484 -7.242 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.209 -2.012 -8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -12.922 -0.968 -10.394 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -13.705 0.147 -9.249 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.983 0.349 -9.651 1.00 0.00 H new ATOM 1547 N LEU A 105 -9.966 -1.481 -8.581 1.00 0.00 N ATOM 1548 CA LEU A 105 -8.700 -2.133 -8.865 1.00 0.00 C ATOM 1549 C LEU A 105 -8.486 -3.294 -7.903 1.00 0.00 C ATOM 1550 O LEU A 105 -8.167 -4.388 -8.360 1.00 0.00 O ATOM 1551 CB LEU A 105 -7.533 -1.142 -8.776 1.00 0.00 C ATOM 1552 CG LEU A 105 -7.427 -0.225 -10.003 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -6.467 0.924 -9.685 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -6.891 -0.971 -11.227 1.00 0.00 C ATOM 0 H LEU A 105 -9.873 -0.502 -8.310 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.734 -2.516 -9.885 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.651 -0.530 -7.882 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.601 -1.696 -8.662 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.427 0.143 -10.231 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.386 1.581 -10.551 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.847 1.491 -8.835 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.484 0.520 -9.442 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.831 -0.286 -12.073 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.898 -1.364 -11.008 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.561 -1.795 -11.473 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.645 -3.092 -6.591 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.437 -4.211 -5.677 1.00 0.00 C ATOM 1568 C VAL A 106 -9.408 -5.336 -6.036 1.00 0.00 C ATOM 1569 O VAL A 106 -8.995 -6.485 -6.161 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.568 -3.810 -4.198 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -8.069 -4.975 -3.333 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.707 -2.597 -3.838 1.00 0.00 C ATOM 0 H VAL A 106 -8.905 -2.207 -6.156 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.411 -4.558 -5.797 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.616 -3.565 -4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.154 -4.709 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.672 -5.861 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.026 -5.184 -3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.838 -2.358 -2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.659 -2.825 -4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.010 -1.743 -4.444 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.686 -5.008 -6.240 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.693 -5.999 -6.612 1.00 0.00 C ATOM 1584 C ALA A 107 -11.242 -6.800 -7.840 1.00 0.00 C ATOM 1585 O ALA A 107 -11.230 -8.027 -7.806 1.00 0.00 O ATOM 1586 CB ALA A 107 -13.038 -5.307 -6.855 1.00 0.00 C ATOM 0 H ALA A 107 -11.047 -4.058 -6.153 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.816 -6.706 -5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.785 -6.051 -7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.354 -4.797 -5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.933 -4.581 -7.661 1.00 0.00 H new ATOM 1592 N LYS A 108 -10.858 -6.104 -8.912 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.366 -6.711 -10.141 1.00 0.00 C ATOM 1594 C LYS A 108 -9.166 -7.616 -9.849 1.00 0.00 C ATOM 1595 O LYS A 108 -9.196 -8.826 -10.070 1.00 0.00 O ATOM 1596 CB LYS A 108 -9.997 -5.573 -11.117 1.00 0.00 C ATOM 1597 CG LYS A 108 -9.092 -5.970 -12.296 1.00 0.00 C ATOM 1598 CD LYS A 108 -8.772 -4.776 -13.207 1.00 0.00 C ATOM 1599 CE LYS A 108 -9.989 -4.273 -13.991 1.00 0.00 C ATOM 1600 NZ LYS A 108 -9.605 -3.215 -14.941 1.00 0.00 N ATOM 0 H LYS A 108 -10.882 -5.085 -8.946 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.133 -7.341 -10.592 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -10.918 -5.150 -11.517 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -9.502 -4.783 -10.553 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -8.163 -6.392 -11.913 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -9.580 -6.750 -12.880 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -8.376 -3.961 -12.601 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -7.988 -5.062 -13.909 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -10.447 -5.102 -14.530 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.739 -3.890 -13.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.447 -2.892 -15.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.190 -2.416 -14.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.907 -3.590 -15.614 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.091 -7.014 -9.349 1.00 0.00 N ATOM 1615 CA HIS A 109 -6.815 -7.687 -9.179 1.00 0.00 C ATOM 1616 C HIS A 109 -6.825 -8.738 -8.068 1.00 0.00 C ATOM 1617 O HIS A 109 -5.914 -9.561 -8.031 1.00 0.00 O ATOM 1618 CB HIS A 109 -5.738 -6.613 -9.012 1.00 0.00 C ATOM 1619 CG HIS A 109 -5.544 -5.849 -10.299 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -4.913 -6.443 -11.390 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -5.976 -4.602 -10.667 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -5.008 -5.542 -12.370 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -5.640 -4.423 -11.990 1.00 0.00 N ATOM 0 H HIS A 109 -8.085 -6.039 -9.050 1.00 0.00 H new ATOM 0 HA HIS A 109 -6.591 -8.278 -10.067 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -6.022 -5.926 -8.215 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -4.798 -7.077 -8.713 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.486 -3.890 -10.035 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -4.617 -5.698 -13.364 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -5.833 -3.603 -12.565 1.00 0.00 H new ATOM 1631 N ALA A 110 -7.828 -8.740 -7.187 1.00 0.00 N ATOM 1632 CA ALA A 110 -8.004 -9.763 -6.162 1.00 0.00 C ATOM 1633 C ALA A 110 -9.147 -10.714 -6.537 1.00 0.00 C ATOM 1634 O ALA A 110 -9.646 -11.429 -5.669 1.00 0.00 O ATOM 1635 CB ALA A 110 -8.283 -9.095 -4.810 1.00 0.00 C ATOM 0 H ALA A 110 -8.549 -8.019 -7.168 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.088 -10.350 -6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.414 -9.861 -4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.444 -8.454 -4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.190 -8.495 -4.881 1.00 0.00 H new ATOM 1641 N ALA A 111 -9.580 -10.736 -7.805 1.00 0.00 N ATOM 1642 CA ALA A 111 -10.668 -11.608 -8.236 1.00 0.00 C ATOM 1643 C ALA A 111 -10.327 -13.087 -8.042 1.00 0.00 C ATOM 1644 O ALA A 111 -11.219 -13.898 -7.796 1.00 0.00 O ATOM 1645 CB ALA A 111 -11.004 -11.326 -9.703 1.00 0.00 C ATOM 0 H ALA A 111 -9.189 -10.156 -8.548 1.00 0.00 H new ATOM 0 HA ALA A 111 -11.537 -11.393 -7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -11.817 -11.979 -10.022 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -11.310 -10.286 -9.813 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -10.125 -11.513 -10.320 1.00 0.00 H new ATOM 1651 N ALA A 112 -9.051 -13.439 -8.181 1.00 0.00 N ATOM 1652 CA ALA A 112 -8.520 -14.777 -8.017 1.00 0.00 C ATOM 1653 C ALA A 112 -7.026 -14.617 -7.764 1.00 0.00 C ATOM 1654 O ALA A 112 -6.518 -13.519 -8.087 1.00 0.00 O ATOM 1655 CB ALA A 112 -8.780 -15.612 -9.274 1.00 0.00 C ATOM 1656 OXT ALA A 112 -6.416 -15.578 -7.244 1.00 0.00 O ATOM 0 H ALA A 112 -8.329 -12.760 -8.423 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.999 -15.298 -7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.375 -16.614 -9.135 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.853 -15.676 -9.453 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.297 -15.141 -10.130 1.00 0.00 H new TER 1662 ALA A 112