USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 799 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 9 LYS NZ :NH3+ 165:sc= 1.75 (180deg=0.649) USER MOD Set 1.2: A 114 SER OG : rot -150:sc= 0.502 USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.05) USER MOD Single : A 5 TYR OH : rot -56:sc= -0.0169 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 20:sc= 0.406 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.916 F(o=-1.4,f=-0.92) USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= 0.516 (180deg=0.476) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.807 K(o=0.81,f=-0.13) USER MOD Single : A 21 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.03) USER MOD Single : A 25 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.5!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 24:sc= 0.333 USER MOD Single : A 55 GLN : amide:sc= 0.474 K(o=0.47,f=-0.23) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : +bothHN:sc= 1.93 K(o=1.9,f=-6.1!) USER MOD Single : A 60 THR OG1 : rot -146:sc= 1.22 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -33:sc= 0.126 USER MOD Single : A 74 ASN : amide:sc=-0.00533 X(o=-0.0053,f=-0.0053) USER MOD Single : A 77 HIS : no HD1:sc= -0.0407 X(o=-0.041,f=-0.041) USER MOD Single : A 79 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.758) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.387 K(o=0.39,f=-1.7!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00875) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -1.34 K(o=-1.3,f=-3.1) USER MOD Single : A 107 THR OG1 : rot 178:sc= 0.866 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc=-0.00958 K(o=-0.0096,f=-0.92) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 2 17.171 -7.150 15.890 1.00 0.00 N ATOM 28 CA PRO A 2 16.931 -8.442 15.226 1.00 0.00 C ATOM 29 C PRO A 2 17.680 -8.612 13.887 1.00 0.00 C ATOM 30 O PRO A 2 18.318 -9.642 13.664 1.00 0.00 O ATOM 31 CB PRO A 2 15.411 -8.505 15.065 1.00 0.00 C ATOM 32 CG PRO A 2 15.012 -7.044 14.847 1.00 0.00 C ATOM 33 CD PRO A 2 15.971 -6.310 15.788 1.00 0.00 C ATOM 0 HA PRO A 2 17.324 -9.268 15.819 1.00 0.00 H new ATOM 0 HB2 PRO A 2 15.123 -9.130 14.220 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.931 -8.924 15.949 1.00 0.00 H new ATOM 0 HG2 PRO A 2 15.142 -6.736 13.810 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.969 -6.863 15.105 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.219 -5.323 15.398 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.516 -6.161 16.767 1.00 0.00 H new ATOM 41 N CYS A 3 17.635 -7.596 13.019 1.00 0.00 N ATOM 42 CA CYS A 3 18.409 -7.465 11.774 1.00 0.00 C ATOM 43 C CYS A 3 18.982 -6.040 11.663 1.00 0.00 C ATOM 44 O CYS A 3 18.539 -5.133 12.374 1.00 0.00 O ATOM 45 CB CYS A 3 17.547 -7.799 10.535 1.00 0.00 C ATOM 46 SG CYS A 3 16.675 -9.395 10.550 1.00 0.00 S ATOM 0 H CYS A 3 17.023 -6.795 13.173 1.00 0.00 H new ATOM 0 HA CYS A 3 19.230 -8.181 11.806 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.807 -7.008 10.413 1.00 0.00 H new ATOM 0 HB3 CYS A 3 18.191 -7.772 9.656 1.00 0.00 H new ATOM 51 N LYS A 4 19.940 -5.820 10.753 1.00 0.00 N ATOM 52 CA LYS A 4 20.484 -4.488 10.437 1.00 0.00 C ATOM 53 C LYS A 4 19.775 -3.880 9.225 1.00 0.00 C ATOM 54 O LYS A 4 19.468 -4.579 8.258 1.00 0.00 O ATOM 55 CB LYS A 4 22.001 -4.582 10.193 1.00 0.00 C ATOM 56 CG LYS A 4 22.854 -5.062 11.386 1.00 0.00 C ATOM 57 CD LYS A 4 23.172 -3.990 12.445 1.00 0.00 C ATOM 58 CE LYS A 4 21.992 -3.668 13.375 1.00 0.00 C ATOM 59 NZ LYS A 4 22.334 -2.609 14.357 1.00 0.00 N ATOM 0 H LYS A 4 20.366 -6.570 10.208 1.00 0.00 H new ATOM 0 HA LYS A 4 20.307 -3.831 11.289 1.00 0.00 H new ATOM 0 HB2 LYS A 4 22.172 -5.258 9.355 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.361 -3.599 9.888 1.00 0.00 H new ATOM 0 HG2 LYS A 4 22.335 -5.887 11.873 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.794 -5.459 11.002 1.00 0.00 H new ATOM 0 HD2 LYS A 4 24.016 -4.327 13.047 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.485 -3.076 11.941 1.00 0.00 H new ATOM 0 HE2 LYS A 4 21.137 -3.348 12.779 1.00 0.00 H new ATOM 0 HE3 LYS A 4 21.691 -4.571 13.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 21.464 -2.254 14.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 22.961 -3.003 15.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 22.818 -1.828 13.870 1.00 0.00 H new ATOM 73 N TYR A 5 19.560 -2.565 9.271 1.00 0.00 N ATOM 74 CA TYR A 5 18.909 -1.770 8.222 1.00 0.00 C ATOM 75 C TYR A 5 19.662 -0.446 7.985 1.00 0.00 C ATOM 76 O TYR A 5 20.342 0.056 8.884 1.00 0.00 O ATOM 77 CB TYR A 5 17.445 -1.478 8.603 1.00 0.00 C ATOM 78 CG TYR A 5 16.580 -2.671 8.985 1.00 0.00 C ATOM 79 CD1 TYR A 5 16.625 -3.163 10.305 1.00 0.00 C ATOM 80 CD2 TYR A 5 15.691 -3.254 8.056 1.00 0.00 C ATOM 81 CE1 TYR A 5 15.786 -4.218 10.708 1.00 0.00 C ATOM 82 CE2 TYR A 5 14.831 -4.290 8.467 1.00 0.00 C ATOM 83 CZ TYR A 5 14.882 -4.783 9.786 1.00 0.00 C ATOM 84 OH TYR A 5 14.064 -5.804 10.159 1.00 0.00 O ATOM 0 H TYR A 5 19.845 -1.999 10.071 1.00 0.00 H new ATOM 0 HA TYR A 5 18.930 -2.349 7.299 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.445 -0.778 9.439 1.00 0.00 H new ATOM 0 HB3 TYR A 5 16.971 -0.971 7.763 1.00 0.00 H new ATOM 0 HD1 TYR A 5 17.311 -2.725 11.015 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.671 -2.906 7.034 1.00 0.00 H new ATOM 0 HE1 TYR A 5 15.834 -4.593 11.720 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.126 -4.711 7.765 1.00 0.00 H new ATOM 0 HH TYR A 5 14.603 -6.542 10.514 1.00 0.00 H new ATOM 94 N LYS A 6 19.515 0.139 6.790 1.00 0.00 N ATOM 95 CA LYS A 6 20.032 1.474 6.427 1.00 0.00 C ATOM 96 C LYS A 6 18.984 2.581 6.631 1.00 0.00 C ATOM 97 O LYS A 6 17.777 2.348 6.539 1.00 0.00 O ATOM 98 CB LYS A 6 20.609 1.468 4.994 1.00 0.00 C ATOM 99 CG LYS A 6 19.635 0.975 3.904 1.00 0.00 C ATOM 100 CD LYS A 6 19.999 -0.410 3.338 1.00 0.00 C ATOM 101 CE LYS A 6 21.085 -0.321 2.258 1.00 0.00 C ATOM 102 NZ LYS A 6 21.310 -1.638 1.605 1.00 0.00 N ATOM 0 H LYS A 6 19.019 -0.313 6.022 1.00 0.00 H new ATOM 0 HA LYS A 6 20.849 1.708 7.109 1.00 0.00 H new ATOM 0 HB2 LYS A 6 20.931 2.479 4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 6 21.498 0.838 4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.628 0.936 4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.617 1.699 3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.344 -1.053 4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.107 -0.876 2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.794 0.414 1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.016 0.030 2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.050 -1.544 0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.611 -2.332 2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.427 -1.960 1.159 1.00 0.00 H new ATOM 116 N LEU A 7 19.469 3.794 6.905 1.00 0.00 N ATOM 117 CA LEU A 7 18.694 4.992 7.254 1.00 0.00 C ATOM 118 C LEU A 7 18.134 5.685 5.996 1.00 0.00 C ATOM 119 O LEU A 7 18.887 6.272 5.215 1.00 0.00 O ATOM 120 CB LEU A 7 19.611 5.917 8.096 1.00 0.00 C ATOM 121 CG LEU A 7 18.928 6.891 9.078 1.00 0.00 C ATOM 122 CD1 LEU A 7 17.862 7.771 8.430 1.00 0.00 C ATOM 123 CD2 LEU A 7 18.298 6.157 10.263 1.00 0.00 C ATOM 0 H LEU A 7 20.472 3.980 6.889 1.00 0.00 H new ATOM 0 HA LEU A 7 17.818 4.725 7.846 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.293 5.286 8.667 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.220 6.504 7.408 1.00 0.00 H new ATOM 0 HG LEU A 7 19.735 7.537 9.424 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.427 8.429 9.182 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.316 8.372 7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.081 7.142 8.003 1.00 0.00 H new ATOM 0 HD21 LEU A 7 17.828 6.879 10.930 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.546 5.456 9.899 1.00 0.00 H new ATOM 0 HD23 LEU A 7 19.070 5.611 10.805 1.00 0.00 H new ATOM 135 N LYS A 8 16.808 5.628 5.807 1.00 0.00 N ATOM 136 CA LYS A 8 16.068 6.306 4.733 1.00 0.00 C ATOM 137 C LYS A 8 14.863 7.085 5.285 1.00 0.00 C ATOM 138 O LYS A 8 13.943 6.507 5.865 1.00 0.00 O ATOM 139 CB LYS A 8 15.681 5.265 3.662 1.00 0.00 C ATOM 140 CG LYS A 8 14.957 5.858 2.437 1.00 0.00 C ATOM 141 CD LYS A 8 15.825 6.804 1.590 1.00 0.00 C ATOM 142 CE LYS A 8 16.873 6.077 0.732 1.00 0.00 C ATOM 143 NZ LYS A 8 16.284 5.500 -0.507 1.00 0.00 N ATOM 0 H LYS A 8 16.198 5.088 6.421 1.00 0.00 H new ATOM 0 HA LYS A 8 16.702 7.057 4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.583 4.755 3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.040 4.511 4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.606 5.042 1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.074 6.400 2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.178 7.391 0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.333 7.506 2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.667 6.774 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.332 5.281 1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.027 5.020 -1.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.544 4.815 -0.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.869 6.261 -1.081 1.00 0.00 H new ATOM 157 N LYS A 9 14.879 8.409 5.121 1.00 0.00 N ATOM 158 CA LYS A 9 13.781 9.341 5.464 1.00 0.00 C ATOM 159 C LYS A 9 13.475 10.279 4.290 1.00 0.00 C ATOM 160 O LYS A 9 14.359 10.583 3.486 1.00 0.00 O ATOM 161 CB LYS A 9 14.137 10.141 6.738 1.00 0.00 C ATOM 162 CG LYS A 9 14.472 9.273 7.967 1.00 0.00 C ATOM 163 CD LYS A 9 13.266 8.529 8.561 1.00 0.00 C ATOM 164 CE LYS A 9 13.717 7.272 9.325 1.00 0.00 C ATOM 165 NZ LYS A 9 13.256 6.019 8.668 1.00 0.00 N ATOM 0 H LYS A 9 15.688 8.891 4.729 1.00 0.00 H new ATOM 0 HA LYS A 9 12.882 8.759 5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.989 10.785 6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.300 10.793 6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.232 8.544 7.686 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.909 9.908 8.738 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.720 9.191 9.233 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.579 8.247 7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.805 7.263 9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.330 7.310 10.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.781 5.210 9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.239 5.888 8.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.425 6.082 7.644 1.00 0.00 H new ATOM 179 N SER A 10 12.223 10.722 4.174 1.00 0.00 N ATOM 180 CA SER A 10 11.704 11.598 3.106 1.00 0.00 C ATOM 181 C SER A 10 10.448 12.357 3.563 1.00 0.00 C ATOM 182 O SER A 10 9.911 12.103 4.645 1.00 0.00 O ATOM 183 CB SER A 10 11.380 10.748 1.865 1.00 0.00 C ATOM 184 OG SER A 10 12.561 10.425 1.148 1.00 0.00 O ATOM 0 H SER A 10 11.503 10.472 4.852 1.00 0.00 H new ATOM 0 HA SER A 10 12.469 12.336 2.863 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.873 9.832 2.169 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.694 11.292 1.216 1.00 0.00 H new ATOM 0 HG SER A 10 13.339 10.531 1.735 1.00 0.00 H new ATOM 190 N THR A 11 9.940 13.283 2.740 1.00 0.00 N ATOM 191 CA THR A 11 8.687 14.007 3.015 1.00 0.00 C ATOM 192 C THR A 11 7.914 14.268 1.722 1.00 0.00 C ATOM 193 O THR A 11 8.285 15.148 0.945 1.00 0.00 O ATOM 194 CB THR A 11 8.913 15.326 3.779 1.00 0.00 C ATOM 195 OG1 THR A 11 9.847 15.186 4.833 1.00 0.00 O ATOM 196 CG2 THR A 11 7.594 15.770 4.406 1.00 0.00 C ATOM 0 H THR A 11 10.385 13.554 1.863 1.00 0.00 H new ATOM 0 HA THR A 11 8.094 13.361 3.662 1.00 0.00 H new ATOM 0 HB THR A 11 9.296 16.050 3.060 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.959 16.047 5.287 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.745 16.703 4.949 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.852 15.922 3.622 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.242 15.002 5.095 1.00 0.00 H new ATOM 204 N ASN A 12 6.876 13.467 1.456 1.00 0.00 N ATOM 205 CA ASN A 12 6.059 13.514 0.230 1.00 0.00 C ATOM 206 C ASN A 12 4.741 12.714 0.348 1.00 0.00 C ATOM 207 O ASN A 12 4.472 12.095 1.377 1.00 0.00 O ATOM 208 CB ASN A 12 6.896 13.106 -1.011 1.00 0.00 C ATOM 209 CG ASN A 12 7.314 11.655 -1.163 1.00 0.00 C ATOM 210 OD1 ASN A 12 7.689 10.967 -0.112 1.00 0.00 O flip ATOM 211 ND2 ASN A 12 7.379 11.137 -2.264 1.00 0.00 N flip ATOM 0 H ASN A 12 6.569 12.744 2.106 1.00 0.00 H new ATOM 0 HA ASN A 12 5.751 14.550 0.092 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.326 13.381 -1.899 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.801 13.713 -1.013 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.091 11.660 -3.091 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.722 10.181 -2.358 1.00 0.00 H new ATOM 218 N LYS A 13 3.906 12.781 -0.694 1.00 0.00 N ATOM 219 CA LYS A 13 2.667 12.013 -0.920 1.00 0.00 C ATOM 220 C LYS A 13 2.910 10.508 -1.096 1.00 0.00 C ATOM 221 O LYS A 13 4.040 10.058 -1.291 1.00 0.00 O ATOM 222 CB LYS A 13 1.909 12.590 -2.139 1.00 0.00 C ATOM 223 CG LYS A 13 2.763 13.042 -3.333 1.00 0.00 C ATOM 224 CD LYS A 13 3.022 14.558 -3.271 1.00 0.00 C ATOM 225 CE LYS A 13 3.970 15.015 -4.388 1.00 0.00 C ATOM 226 NZ LYS A 13 4.357 16.446 -4.240 1.00 0.00 N ATOM 0 H LYS A 13 4.089 13.423 -1.465 1.00 0.00 H new ATOM 0 HA LYS A 13 2.058 12.117 -0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.206 11.835 -2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.319 13.442 -1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.712 12.505 -3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.256 12.792 -4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.076 15.093 -3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.450 14.815 -2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.866 14.394 -4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.489 14.868 -5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.870 16.757 -5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.502 17.026 -4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.969 16.556 -3.407 1.00 0.00 H new ATOM 240 N PHE A 14 1.827 9.738 -1.097 1.00 0.00 N ATOM 241 CA PHE A 14 1.814 8.280 -1.238 1.00 0.00 C ATOM 242 C PHE A 14 0.653 7.803 -2.120 1.00 0.00 C ATOM 243 O PHE A 14 -0.439 8.377 -2.116 1.00 0.00 O ATOM 244 CB PHE A 14 1.765 7.621 0.155 1.00 0.00 C ATOM 245 CG PHE A 14 0.711 8.191 1.095 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.646 7.833 0.959 1.00 0.00 C ATOM 247 CD2 PHE A 14 1.085 9.121 2.084 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.625 8.443 1.764 1.00 0.00 C ATOM 249 CE2 PHE A 14 0.106 9.711 2.904 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.251 9.404 2.720 1.00 0.00 C ATOM 0 H PHE A 14 0.890 10.128 -0.995 1.00 0.00 H new ATOM 0 HA PHE A 14 2.733 7.977 -1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.581 6.554 0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.743 7.723 0.624 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.935 7.087 0.233 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.125 9.382 2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.664 8.173 1.648 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.400 10.404 3.679 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.005 9.904 3.310 1.00 0.00 H new ATOM 260 N CYS A 15 0.892 6.757 -2.913 1.00 0.00 N ATOM 261 CA CYS A 15 -0.129 6.117 -3.740 1.00 0.00 C ATOM 262 C CYS A 15 -0.619 4.810 -3.105 1.00 0.00 C ATOM 263 O CYS A 15 0.148 4.043 -2.516 1.00 0.00 O ATOM 264 CB CYS A 15 0.392 5.885 -5.162 1.00 0.00 C ATOM 265 SG CYS A 15 -0.905 5.384 -6.331 1.00 0.00 S ATOM 0 H CYS A 15 1.812 6.326 -2.999 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.984 6.790 -3.802 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.863 6.800 -5.523 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.165 5.117 -5.137 1.00 0.00 H new ATOM 270 N VAL A 16 -1.913 4.550 -3.273 1.00 0.00 N ATOM 271 CA VAL A 16 -2.661 3.404 -2.707 1.00 0.00 C ATOM 272 C VAL A 16 -3.794 2.945 -3.648 1.00 0.00 C ATOM 273 O VAL A 16 -3.967 3.517 -4.723 1.00 0.00 O ATOM 274 CB VAL A 16 -3.218 3.748 -1.304 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.143 3.887 -0.228 1.00 0.00 C ATOM 276 CG2 VAL A 16 -4.056 5.026 -1.294 1.00 0.00 C ATOM 0 H VAL A 16 -2.509 5.158 -3.835 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.961 2.574 -2.605 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.846 2.889 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.612 4.128 0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.596 2.948 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.452 4.684 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.419 5.215 -0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.443 5.865 -1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.904 4.910 -1.968 1.00 0.00 H new ATOM 286 N THR A 17 -4.590 1.940 -3.259 1.00 0.00 N ATOM 287 CA THR A 17 -5.748 1.430 -4.033 1.00 0.00 C ATOM 288 C THR A 17 -7.027 1.403 -3.185 1.00 0.00 C ATOM 289 O THR A 17 -7.095 0.672 -2.198 1.00 0.00 O ATOM 290 CB THR A 17 -5.474 0.015 -4.573 1.00 0.00 C ATOM 291 OG1 THR A 17 -4.163 -0.107 -5.084 1.00 0.00 O ATOM 292 CG2 THR A 17 -6.419 -0.396 -5.691 1.00 0.00 C ATOM 0 H THR A 17 -4.450 1.443 -2.379 1.00 0.00 H new ATOM 0 HA THR A 17 -5.893 2.115 -4.868 1.00 0.00 H new ATOM 0 HB THR A 17 -5.623 -0.635 -3.711 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.025 -1.019 -5.416 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.171 -1.403 -6.025 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.445 -0.378 -5.325 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.319 0.298 -6.525 1.00 0.00 H new ATOM 300 N CYS A 18 -8.041 2.204 -3.546 1.00 0.00 N ATOM 301 CA CYS A 18 -9.344 2.234 -2.875 1.00 0.00 C ATOM 302 C CYS A 18 -10.264 1.132 -3.391 1.00 0.00 C ATOM 303 O CYS A 18 -10.474 1.000 -4.595 1.00 0.00 O ATOM 304 CB CYS A 18 -10.029 3.581 -3.094 1.00 0.00 C ATOM 305 SG CYS A 18 -11.441 3.895 -2.021 1.00 0.00 S ATOM 0 H CYS A 18 -7.975 2.859 -4.325 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.160 2.076 -1.812 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.295 4.374 -2.947 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.359 3.640 -4.131 1.00 0.00 H new ATOM 310 N GLU A 19 -10.851 0.372 -2.477 1.00 0.00 N ATOM 311 CA GLU A 19 -11.807 -0.692 -2.775 1.00 0.00 C ATOM 312 C GLU A 19 -12.925 -0.652 -1.724 1.00 0.00 C ATOM 313 O GLU A 19 -12.680 -0.835 -0.530 1.00 0.00 O ATOM 314 CB GLU A 19 -11.061 -2.037 -2.869 1.00 0.00 C ATOM 315 CG GLU A 19 -11.797 -3.105 -3.695 1.00 0.00 C ATOM 316 CD GLU A 19 -12.504 -4.151 -2.819 1.00 0.00 C ATOM 317 OE1 GLU A 19 -13.321 -3.754 -1.960 1.00 0.00 O ATOM 318 OE2 GLU A 19 -12.277 -5.370 -3.014 1.00 0.00 O ATOM 0 H GLU A 19 -10.672 0.480 -1.479 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.287 -0.553 -3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.079 -1.866 -3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.897 -2.421 -1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.531 -2.619 -4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.084 -3.607 -4.349 1.00 0.00 H new ATOM 325 N ASN A 20 -14.137 -0.306 -2.167 1.00 0.00 N ATOM 326 CA ASN A 20 -15.299 0.007 -1.321 1.00 0.00 C ATOM 327 C ASN A 20 -15.033 1.170 -0.332 1.00 0.00 C ATOM 328 O ASN A 20 -15.187 1.042 0.885 1.00 0.00 O ATOM 329 CB ASN A 20 -15.871 -1.281 -0.689 1.00 0.00 C ATOM 330 CG ASN A 20 -16.584 -2.158 -1.703 1.00 0.00 C ATOM 331 OD1 ASN A 20 -17.804 -2.178 -1.778 1.00 0.00 O ATOM 332 ND2 ASN A 20 -15.870 -2.888 -2.529 1.00 0.00 N ATOM 0 H ASN A 20 -14.347 -0.233 -3.162 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.092 0.404 -1.954 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.061 -1.847 -0.229 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.565 -1.014 0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.334 -3.468 -3.228 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.852 -2.875 -2.471 1.00 0.00 H new ATOM 339 N GLN A 21 -14.696 2.341 -0.891 1.00 0.00 N ATOM 340 CA GLN A 21 -14.590 3.658 -0.230 1.00 0.00 C ATOM 341 C GLN A 21 -13.512 3.745 0.870 1.00 0.00 C ATOM 342 O GLN A 21 -13.622 4.543 1.804 1.00 0.00 O ATOM 343 CB GLN A 21 -15.965 4.142 0.274 1.00 0.00 C ATOM 344 CG GLN A 21 -17.084 4.106 -0.778 1.00 0.00 C ATOM 345 CD GLN A 21 -18.009 2.905 -0.619 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.623 2.671 0.412 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.177 2.115 -1.651 1.00 0.00 N ATOM 0 H GLN A 21 -14.474 2.402 -1.885 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.244 4.341 -1.006 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.263 3.526 1.123 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.863 5.163 0.641 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.671 5.022 -0.708 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.640 4.087 -1.773 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.673 2.296 -2.519 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.812 1.320 -1.586 1.00 0.00 H new ATOM 356 N ALA A 22 -12.470 2.917 0.773 1.00 0.00 N ATOM 357 CA ALA A 22 -11.394 2.806 1.740 1.00 0.00 C ATOM 358 C ALA A 22 -10.160 2.164 1.069 1.00 0.00 C ATOM 359 O ALA A 22 -10.302 1.195 0.316 1.00 0.00 O ATOM 360 CB ALA A 22 -11.912 1.964 2.910 1.00 0.00 C ATOM 0 H ALA A 22 -12.355 2.282 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.085 3.783 2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.127 1.859 3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.776 2.455 3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.202 0.978 2.548 1.00 0.00 H new ATOM 366 N PRO A 23 -8.951 2.705 1.279 1.00 0.00 N ATOM 367 CA PRO A 23 -7.715 2.159 0.730 1.00 0.00 C ATOM 368 C PRO A 23 -7.236 0.896 1.464 1.00 0.00 C ATOM 369 O PRO A 23 -6.751 0.950 2.593 1.00 0.00 O ATOM 370 CB PRO A 23 -6.731 3.321 0.763 1.00 0.00 C ATOM 371 CG PRO A 23 -7.185 4.130 1.973 1.00 0.00 C ATOM 372 CD PRO A 23 -8.699 3.978 1.934 1.00 0.00 C ATOM 0 HA PRO A 23 -7.843 1.792 -0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.703 2.975 0.873 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.773 3.910 -0.153 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.764 3.741 2.900 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.882 5.174 1.898 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.120 3.991 2.940 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.161 4.799 1.385 1.00 0.00 H new ATOM 380 N VAL A 24 -7.364 -0.257 0.804 1.00 0.00 N ATOM 381 CA VAL A 24 -6.981 -1.596 1.285 1.00 0.00 C ATOM 382 C VAL A 24 -5.738 -2.147 0.570 1.00 0.00 C ATOM 383 O VAL A 24 -5.520 -3.353 0.592 1.00 0.00 O ATOM 384 CB VAL A 24 -8.170 -2.591 1.226 1.00 0.00 C ATOM 385 CG1 VAL A 24 -9.457 -2.001 1.812 1.00 0.00 C ATOM 386 CG2 VAL A 24 -8.527 -3.057 -0.188 1.00 0.00 C ATOM 0 H VAL A 24 -7.760 -0.288 -0.135 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.707 -1.481 2.334 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.811 -3.435 1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.258 -2.738 1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.293 -1.735 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.737 -1.110 1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.367 -3.750 -0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.800 -2.195 -0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.668 -3.558 -0.634 1.00 0.00 H new ATOM 396 N HIS A 25 -4.927 -1.319 -0.105 1.00 0.00 N ATOM 397 CA HIS A 25 -3.678 -1.764 -0.761 1.00 0.00 C ATOM 398 C HIS A 25 -2.681 -0.611 -0.856 1.00 0.00 C ATOM 399 O HIS A 25 -3.073 0.508 -1.184 1.00 0.00 O ATOM 400 CB HIS A 25 -3.987 -2.275 -2.181 1.00 0.00 C ATOM 401 CG HIS A 25 -3.062 -3.333 -2.739 1.00 0.00 C ATOM 402 ND1 HIS A 25 -1.780 -3.133 -3.225 1.00 0.00 N ATOM 403 CD2 HIS A 25 -3.433 -4.609 -3.060 1.00 0.00 C ATOM 404 CE1 HIS A 25 -1.383 -4.273 -3.825 1.00 0.00 C ATOM 405 NE2 HIS A 25 -2.371 -5.186 -3.735 1.00 0.00 N ATOM 0 H HIS A 25 -5.114 -0.322 -0.214 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.244 -2.565 -0.163 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.002 -2.673 -2.186 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -3.976 -1.422 -2.859 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -1.234 -2.276 -3.143 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.378 -5.079 -2.830 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -0.427 -4.430 -4.302 1.00 0.00 H new ATOM 414 N PHE A 26 -1.396 -0.883 -0.637 1.00 0.00 N ATOM 415 CA PHE A 26 -0.322 0.084 -0.889 1.00 0.00 C ATOM 416 C PHE A 26 0.129 0.013 -2.357 1.00 0.00 C ATOM 417 O PHE A 26 0.087 -1.063 -2.957 1.00 0.00 O ATOM 418 CB PHE A 26 0.836 -0.210 0.084 1.00 0.00 C ATOM 419 CG PHE A 26 2.015 0.746 0.025 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.814 2.141 -0.017 1.00 0.00 C ATOM 421 CD2 PHE A 26 3.329 0.236 0.038 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.912 3.013 -0.101 1.00 0.00 C ATOM 423 CE2 PHE A 26 4.427 1.108 -0.049 1.00 0.00 C ATOM 424 CZ PHE A 26 4.217 2.494 -0.134 1.00 0.00 C ATOM 0 H PHE A 26 -1.067 -1.780 -0.280 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.677 1.100 -0.717 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.441 -0.205 1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.201 -1.218 -0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.811 2.541 0.016 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.492 -0.829 0.115 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.753 4.081 -0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.432 0.713 -0.051 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.061 3.162 -0.225 1.00 0.00 H new ATOM 434 N VAL A 27 0.565 1.136 -2.938 1.00 0.00 N ATOM 435 CA VAL A 27 1.157 1.182 -4.292 1.00 0.00 C ATOM 436 C VAL A 27 2.600 1.695 -4.264 1.00 0.00 C ATOM 437 O VAL A 27 3.500 0.995 -4.730 1.00 0.00 O ATOM 438 CB VAL A 27 0.292 1.999 -5.272 1.00 0.00 C ATOM 439 CG1 VAL A 27 0.949 2.122 -6.649 1.00 0.00 C ATOM 440 CG2 VAL A 27 -1.093 1.381 -5.475 1.00 0.00 C ATOM 0 H VAL A 27 0.519 2.048 -2.484 1.00 0.00 H new ATOM 0 HA VAL A 27 1.181 0.156 -4.659 1.00 0.00 H new ATOM 0 HB VAL A 27 0.194 2.984 -4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.306 2.705 -7.308 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.913 2.620 -6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.096 1.128 -7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.665 1.992 -6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.986 0.374 -5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.615 1.337 -4.519 1.00 0.00 H new ATOM 450 N GLY A 28 2.836 2.912 -3.761 1.00 0.00 N ATOM 451 CA GLY A 28 4.148 3.561 -3.848 1.00 0.00 C ATOM 452 C GLY A 28 4.215 4.926 -3.165 1.00 0.00 C ATOM 453 O GLY A 28 3.288 5.343 -2.471 1.00 0.00 O ATOM 0 H GLY A 28 2.128 3.471 -3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.896 2.906 -3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.414 3.679 -4.898 1.00 0.00 H new ATOM 457 N VAL A 29 5.334 5.624 -3.352 1.00 0.00 N ATOM 458 CA VAL A 29 5.669 6.889 -2.674 1.00 0.00 C ATOM 459 C VAL A 29 6.073 7.943 -3.708 1.00 0.00 C ATOM 460 O VAL A 29 6.960 7.696 -4.528 1.00 0.00 O ATOM 461 CB VAL A 29 6.785 6.688 -1.630 1.00 0.00 C ATOM 462 CG1 VAL A 29 6.831 7.894 -0.704 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.584 5.453 -0.745 1.00 0.00 C ATOM 0 H VAL A 29 6.061 5.320 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 29 4.784 7.238 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 29 7.706 6.557 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.619 7.755 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.034 8.793 -1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.872 8.000 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.408 5.376 -0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.644 5.544 -0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.558 4.559 -1.368 1.00 0.00 H new ATOM 473 N GLY A 30 5.396 9.098 -3.714 1.00 0.00 N ATOM 474 CA GLY A 30 5.604 10.166 -4.704 1.00 0.00 C ATOM 475 C GLY A 30 5.187 9.837 -6.151 1.00 0.00 C ATOM 476 O GLY A 30 5.397 10.659 -7.045 1.00 0.00 O ATOM 0 H GLY A 30 4.679 9.321 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.051 11.048 -4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.661 10.434 -4.703 1.00 0.00 H new ATOM 480 N SER A 31 4.610 8.657 -6.394 1.00 0.00 N ATOM 481 CA SER A 31 4.181 8.129 -7.700 1.00 0.00 C ATOM 482 C SER A 31 3.256 6.910 -7.537 1.00 0.00 C ATOM 483 O SER A 31 3.198 6.302 -6.464 1.00 0.00 O ATOM 484 CB SER A 31 5.405 7.735 -8.550 1.00 0.00 C ATOM 485 OG SER A 31 6.135 6.667 -7.962 1.00 0.00 O ATOM 0 H SER A 31 4.416 8.000 -5.638 1.00 0.00 H new ATOM 0 HA SER A 31 3.626 8.919 -8.206 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.076 7.444 -9.548 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.058 8.599 -8.669 1.00 0.00 H new ATOM 0 HG SER A 31 6.902 6.444 -8.529 1.00 0.00 H new ATOM 491 N CYS A 32 2.555 6.531 -8.611 1.00 0.00 N ATOM 492 CA CYS A 32 1.752 5.310 -8.719 1.00 0.00 C ATOM 493 C CYS A 32 2.375 4.340 -9.740 1.00 0.00 C ATOM 494 O CYS A 32 2.331 4.592 -10.948 1.00 0.00 O ATOM 495 CB CYS A 32 0.317 5.667 -9.130 1.00 0.00 C ATOM 496 SG CYS A 32 -0.673 6.607 -7.941 1.00 0.00 S ATOM 0 H CYS A 32 2.531 7.090 -9.464 1.00 0.00 H new ATOM 0 HA CYS A 32 1.732 4.816 -7.748 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.363 6.238 -10.058 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.212 4.740 -9.352 1.00 0.00 H new ATOM 707 N ASP A 50 -8.285 -5.730 5.196 1.00 0.00 N ATOM 708 CA ASP A 50 -9.141 -4.559 5.052 1.00 0.00 C ATOM 709 C ASP A 50 -8.316 -3.282 5.308 1.00 0.00 C ATOM 710 O ASP A 50 -7.180 -3.323 5.787 1.00 0.00 O ATOM 711 CB ASP A 50 -10.321 -4.679 6.043 1.00 0.00 C ATOM 712 CG ASP A 50 -11.623 -4.049 5.512 1.00 0.00 C ATOM 713 OD1 ASP A 50 -11.577 -2.916 4.984 1.00 0.00 O ATOM 714 OD2 ASP A 50 -12.696 -4.686 5.637 1.00 0.00 O ATOM 0 HA ASP A 50 -9.542 -4.500 4.040 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.497 -5.732 6.263 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.049 -4.198 6.983 1.00 0.00 H new ATOM 719 N TRP A 51 -8.911 -2.127 5.054 1.00 0.00 N ATOM 720 CA TRP A 51 -8.413 -0.798 5.423 1.00 0.00 C ATOM 721 C TRP A 51 -8.128 -0.682 6.933 1.00 0.00 C ATOM 722 O TRP A 51 -7.152 -0.053 7.349 1.00 0.00 O ATOM 723 CB TRP A 51 -9.434 0.248 4.953 1.00 0.00 C ATOM 724 CG TRP A 51 -9.581 1.447 5.832 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.605 1.684 6.686 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.649 2.551 5.997 1.00 0.00 C ATOM 727 NE1 TRP A 51 -10.379 2.879 7.344 1.00 0.00 N ATOM 728 CE2 TRP A 51 -9.193 3.464 6.943 1.00 0.00 C ATOM 729 CE3 TRP A 51 -7.380 2.855 5.464 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -8.536 4.648 7.305 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.701 4.028 5.833 1.00 0.00 C ATOM 732 CH2 TRP A 51 -7.280 4.932 6.739 1.00 0.00 C ATOM 0 H TRP A 51 -9.802 -2.082 4.559 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.456 -0.623 4.930 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.150 0.584 3.955 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.407 -0.235 4.862 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.461 1.042 6.830 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -11.009 3.279 8.039 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.922 2.175 4.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.987 5.332 8.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.726 4.236 5.417 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.762 5.843 7.000 1.00 0.00 H new ATOM 743 N LEU A 52 -8.957 -1.320 7.767 1.00 0.00 N ATOM 744 CA LEU A 52 -8.822 -1.345 9.225 1.00 0.00 C ATOM 745 C LEU A 52 -7.469 -1.941 9.676 1.00 0.00 C ATOM 746 O LEU A 52 -6.849 -1.442 10.616 1.00 0.00 O ATOM 747 CB LEU A 52 -10.034 -2.102 9.815 1.00 0.00 C ATOM 748 CG LEU A 52 -10.698 -1.473 11.055 1.00 0.00 C ATOM 749 CD1 LEU A 52 -9.744 -1.316 12.238 1.00 0.00 C ATOM 750 CD2 LEU A 52 -11.344 -0.118 10.748 1.00 0.00 C ATOM 0 H LEU A 52 -9.764 -1.848 7.435 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.821 -0.325 9.608 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.789 -2.198 9.035 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.713 -3.111 10.074 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.475 -2.183 11.338 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.276 -0.867 13.077 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.364 -2.295 12.531 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.911 -0.674 11.951 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.798 0.283 11.655 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.583 0.574 10.386 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.111 -0.245 9.984 1.00 0.00 H new ATOM 762 N THR A 53 -6.977 -2.968 8.971 1.00 0.00 N ATOM 763 CA THR A 53 -5.654 -3.579 9.196 1.00 0.00 C ATOM 764 C THR A 53 -4.530 -2.922 8.384 1.00 0.00 C ATOM 765 O THR A 53 -3.402 -2.867 8.869 1.00 0.00 O ATOM 766 CB THR A 53 -5.676 -5.098 8.942 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.417 -5.444 7.788 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.324 -5.837 10.113 1.00 0.00 C ATOM 0 H THR A 53 -7.496 -3.409 8.212 1.00 0.00 H new ATOM 0 HA THR A 53 -5.432 -3.401 10.248 1.00 0.00 H new ATOM 0 HB THR A 53 -4.633 -5.387 8.814 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.443 -4.680 7.174 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.328 -6.908 9.910 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.758 -5.642 11.024 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.349 -5.488 10.241 1.00 0.00 H new ATOM 776 N PHE A 54 -4.817 -2.331 7.217 1.00 0.00 N ATOM 777 CA PHE A 54 -3.871 -1.567 6.381 1.00 0.00 C ATOM 778 C PHE A 54 -3.132 -0.472 7.158 1.00 0.00 C ATOM 779 O PHE A 54 -1.909 -0.348 7.047 1.00 0.00 O ATOM 780 CB PHE A 54 -4.639 -0.966 5.193 1.00 0.00 C ATOM 781 CG PHE A 54 -3.860 0.007 4.334 1.00 0.00 C ATOM 782 CD1 PHE A 54 -3.054 -0.471 3.288 1.00 0.00 C ATOM 783 CD2 PHE A 54 -3.952 1.392 4.573 1.00 0.00 C ATOM 784 CE1 PHE A 54 -2.317 0.433 2.508 1.00 0.00 C ATOM 785 CE2 PHE A 54 -3.228 2.296 3.777 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.397 1.813 2.755 1.00 0.00 C ATOM 0 H PHE A 54 -5.751 -2.371 6.810 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.101 -2.254 6.030 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -4.989 -1.781 4.560 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.524 -0.457 5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.002 -1.530 3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.581 1.760 5.370 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.685 0.065 1.713 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.311 3.359 3.951 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.819 2.503 2.158 1.00 0.00 H new ATOM 796 N GLN A 55 -3.867 0.279 7.982 1.00 0.00 N ATOM 797 CA GLN A 55 -3.315 1.272 8.904 1.00 0.00 C ATOM 798 C GLN A 55 -2.279 0.628 9.832 1.00 0.00 C ATOM 799 O GLN A 55 -1.094 0.953 9.771 1.00 0.00 O ATOM 800 CB GLN A 55 -4.448 1.906 9.721 1.00 0.00 C ATOM 801 CG GLN A 55 -5.364 2.783 8.864 1.00 0.00 C ATOM 802 CD GLN A 55 -6.722 2.919 9.532 1.00 0.00 C ATOM 803 OE1 GLN A 55 -6.970 3.785 10.361 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.636 2.033 9.220 1.00 0.00 N ATOM 0 H GLN A 55 -4.884 0.211 8.027 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.815 2.050 8.327 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.038 1.119 10.191 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.021 2.507 10.524 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.916 3.767 8.727 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.479 2.344 7.873 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.431 1.311 8.530 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.552 2.066 9.668 1.00 0.00 H new ATOM 813 N LYS A 56 -2.711 -0.329 10.662 1.00 0.00 N ATOM 814 CA LYS A 56 -1.833 -1.009 11.637 1.00 0.00 C ATOM 815 C LYS A 56 -0.648 -1.764 11.010 1.00 0.00 C ATOM 816 O LYS A 56 0.344 -2.007 11.699 1.00 0.00 O ATOM 817 CB LYS A 56 -2.659 -1.937 12.550 1.00 0.00 C ATOM 818 CG LYS A 56 -3.791 -1.234 13.323 1.00 0.00 C ATOM 819 CD LYS A 56 -3.299 -0.026 14.136 1.00 0.00 C ATOM 820 CE LYS A 56 -4.412 0.517 15.038 1.00 0.00 C ATOM 821 NZ LYS A 56 -3.951 1.694 15.824 1.00 0.00 N ATOM 0 H LYS A 56 -3.677 -0.657 10.681 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.382 -0.216 12.233 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.091 -2.732 11.942 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.988 -2.412 13.266 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.555 -0.905 12.619 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.264 -1.950 13.995 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.442 -0.317 14.744 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.959 0.758 13.460 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.271 0.799 14.429 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.747 -0.267 15.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.728 2.037 16.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.147 1.418 16.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.655 2.451 15.175 1.00 0.00 H new ATOM 835 N LYS A 57 -0.713 -2.099 9.715 1.00 0.00 N ATOM 836 CA LYS A 57 0.354 -2.780 8.961 1.00 0.00 C ATOM 837 C LYS A 57 1.586 -1.893 8.714 1.00 0.00 C ATOM 838 O LYS A 57 2.704 -2.367 8.916 1.00 0.00 O ATOM 839 CB LYS A 57 -0.247 -3.395 7.678 1.00 0.00 C ATOM 840 CG LYS A 57 0.611 -4.523 7.075 1.00 0.00 C ATOM 841 CD LYS A 57 1.601 -4.057 5.997 1.00 0.00 C ATOM 842 CE LYS A 57 2.682 -5.128 5.794 1.00 0.00 C ATOM 843 NZ LYS A 57 3.529 -4.851 4.605 1.00 0.00 N ATOM 0 H LYS A 57 -1.534 -1.899 9.143 1.00 0.00 H new ATOM 0 HA LYS A 57 0.750 -3.593 9.569 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.240 -3.785 7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.374 -2.609 6.934 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.167 -5.009 7.877 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.050 -5.275 6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.075 -3.875 5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.060 -3.114 6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.311 -5.180 6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.208 -6.103 5.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.245 -5.599 4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.934 -4.827 3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.002 -3.932 4.722 1.00 0.00 H new ATOM 857 N HIS A 58 1.423 -0.635 8.265 1.00 0.00 N ATOM 858 CA HIS A 58 2.557 0.260 7.926 1.00 0.00 C ATOM 859 C HIS A 58 2.277 1.776 8.058 1.00 0.00 C ATOM 860 O HIS A 58 2.932 2.595 7.415 1.00 0.00 O ATOM 861 CB HIS A 58 3.065 -0.100 6.518 1.00 0.00 C ATOM 862 CG HIS A 58 2.138 0.370 5.429 1.00 0.00 C ATOM 863 ND1 HIS A 58 2.370 1.477 4.641 1.00 0.00 N ATOM 864 CD2 HIS A 58 0.877 -0.097 5.170 1.00 0.00 C ATOM 865 CE1 HIS A 58 1.254 1.688 3.917 1.00 0.00 C ATOM 866 NE2 HIS A 58 0.335 0.747 4.222 1.00 0.00 N ATOM 0 H HIS A 58 0.508 -0.207 8.126 1.00 0.00 H new ATOM 0 HA HIS A 58 3.326 0.081 8.677 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.050 0.342 6.367 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.186 -1.181 6.445 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.225 2.032 4.612 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.401 -0.956 5.619 1.00 0.00 H new ATOM 0 HE1 HIS A 58 1.116 2.486 3.203 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.600 0.673 3.821 1.00 0.00 H new ATOM 875 N ILE A 59 1.310 2.185 8.868 1.00 0.00 N ATOM 876 CA ILE A 59 0.939 3.597 9.112 1.00 0.00 C ATOM 877 C ILE A 59 0.902 3.857 10.620 1.00 0.00 C ATOM 878 O ILE A 59 0.580 2.965 11.411 1.00 0.00 O ATOM 879 CB ILE A 59 -0.403 3.962 8.421 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.364 3.541 6.931 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.735 5.461 8.569 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.433 4.160 6.024 1.00 0.00 C ATOM 0 H ILE A 59 0.735 1.530 9.398 1.00 0.00 H new ATOM 0 HA ILE A 59 1.693 4.247 8.668 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.201 3.412 8.919 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.616 3.796 6.529 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.457 2.456 6.879 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.681 5.675 8.072 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.815 5.713 9.626 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.057 6.056 8.113 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.305 3.791 5.006 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.423 3.884 6.388 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.333 5.245 6.032 1.00 0.00 H new ATOM 894 N THR A 60 1.240 5.078 11.034 1.00 0.00 N ATOM 895 CA THR A 60 1.189 5.483 12.450 1.00 0.00 C ATOM 896 C THR A 60 0.845 6.962 12.655 1.00 0.00 C ATOM 897 O THR A 60 1.102 7.804 11.796 1.00 0.00 O ATOM 898 CB THR A 60 2.509 5.111 13.149 1.00 0.00 C ATOM 899 OG1 THR A 60 2.405 5.414 14.521 1.00 0.00 O ATOM 900 CG2 THR A 60 3.743 5.822 12.587 1.00 0.00 C ATOM 0 H THR A 60 1.556 5.816 10.405 1.00 0.00 H new ATOM 0 HA THR A 60 0.368 4.931 12.908 1.00 0.00 H new ATOM 0 HB THR A 60 2.654 4.045 12.972 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.278 5.705 14.859 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.629 5.503 13.136 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.859 5.570 11.533 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.621 6.900 12.691 1.00 0.00 H new ATOM 908 N ASN A 61 0.298 7.288 13.831 1.00 0.00 N ATOM 909 CA ASN A 61 0.117 8.643 14.356 1.00 0.00 C ATOM 910 C ASN A 61 1.340 9.141 15.170 1.00 0.00 C ATOM 911 O ASN A 61 1.307 10.242 15.721 1.00 0.00 O ATOM 912 CB ASN A 61 -1.170 8.646 15.202 1.00 0.00 C ATOM 913 CG ASN A 61 -2.427 8.540 14.352 1.00 0.00 C ATOM 914 OD1 ASN A 61 -2.747 9.414 13.560 1.00 0.00 O ATOM 915 ND2 ASN A 61 -3.197 7.485 14.501 1.00 0.00 N ATOM 0 H ASN A 61 -0.048 6.576 14.474 1.00 0.00 H new ATOM 0 HA ASN A 61 0.028 9.343 13.525 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.140 7.814 15.906 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.211 9.561 15.792 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -4.056 7.399 13.957 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.936 6.752 15.160 1.00 0.00 H new ATOM 922 N THR A 62 2.412 8.345 15.270 1.00 0.00 N ATOM 923 CA THR A 62 3.690 8.684 15.922 1.00 0.00 C ATOM 924 C THR A 62 4.823 7.767 15.436 1.00 0.00 C ATOM 925 O THR A 62 4.788 6.551 15.651 1.00 0.00 O ATOM 926 CB THR A 62 3.558 8.656 17.462 1.00 0.00 C ATOM 927 OG1 THR A 62 4.802 8.973 18.048 1.00 0.00 O ATOM 928 CG2 THR A 62 3.058 7.344 18.082 1.00 0.00 C ATOM 0 H THR A 62 2.415 7.402 14.881 1.00 0.00 H new ATOM 0 HA THR A 62 3.949 9.703 15.635 1.00 0.00 H new ATOM 0 HB THR A 62 2.785 9.394 17.675 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.717 8.957 19.024 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.008 7.449 19.166 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.066 7.113 17.694 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.744 6.536 17.827 1.00 0.00 H new ATOM 936 N ARG A 63 5.831 8.310 14.732 1.00 0.00 N ATOM 937 CA ARG A 63 7.036 7.545 14.360 1.00 0.00 C ATOM 938 C ARG A 63 7.845 7.176 15.612 1.00 0.00 C ATOM 939 O ARG A 63 8.575 8.003 16.158 1.00 0.00 O ATOM 940 CB ARG A 63 7.903 8.297 13.331 1.00 0.00 C ATOM 941 CG ARG A 63 9.020 7.367 12.830 1.00 0.00 C ATOM 942 CD ARG A 63 10.037 8.053 11.917 1.00 0.00 C ATOM 943 NE ARG A 63 11.115 8.723 12.677 1.00 0.00 N ATOM 944 CZ ARG A 63 11.242 9.996 13.010 1.00 0.00 C ATOM 945 NH1 ARG A 63 10.337 10.890 12.729 1.00 0.00 N ATOM 946 NH2 ARG A 63 12.306 10.400 13.642 1.00 0.00 N ATOM 0 H ARG A 63 5.836 9.277 14.408 1.00 0.00 H new ATOM 0 HA ARG A 63 6.708 6.623 13.879 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.288 8.629 12.494 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.334 9.190 13.785 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.543 6.948 13.690 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.570 6.532 12.293 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.475 7.314 11.245 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.525 8.787 11.294 1.00 0.00 H new ATOM 0 HE ARG A 63 11.871 8.114 12.990 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.488 10.618 12.233 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.477 11.862 13.006 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.041 9.734 13.880 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.404 11.382 13.899 1.00 0.00 H new ATOM 960 N ASP A 64 7.739 5.917 16.030 1.00 0.00 N ATOM 961 CA ASP A 64 8.446 5.349 17.187 1.00 0.00 C ATOM 962 C ASP A 64 9.497 4.284 16.803 1.00 0.00 C ATOM 963 O ASP A 64 10.143 3.688 17.666 1.00 0.00 O ATOM 964 CB ASP A 64 7.392 4.824 18.178 1.00 0.00 C ATOM 965 CG ASP A 64 7.969 4.478 19.563 1.00 0.00 C ATOM 966 OD1 ASP A 64 8.589 5.365 20.203 1.00 0.00 O ATOM 967 OD2 ASP A 64 7.756 3.341 20.045 1.00 0.00 O ATOM 0 H ASP A 64 7.140 5.238 15.561 1.00 0.00 H new ATOM 0 HA ASP A 64 9.036 6.132 17.663 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.610 5.574 18.296 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.920 3.936 17.758 1.00 0.00 H new ATOM 972 N VAL A 65 9.689 4.044 15.499 1.00 0.00 N ATOM 973 CA VAL A 65 10.671 3.087 14.967 1.00 0.00 C ATOM 974 C VAL A 65 12.113 3.623 15.042 1.00 0.00 C ATOM 975 O VAL A 65 12.370 4.809 14.829 1.00 0.00 O ATOM 976 CB VAL A 65 10.282 2.663 13.533 1.00 0.00 C ATOM 977 CG1 VAL A 65 10.205 3.824 12.535 1.00 0.00 C ATOM 978 CG2 VAL A 65 11.244 1.611 12.980 1.00 0.00 C ATOM 0 H VAL A 65 9.156 4.518 14.770 1.00 0.00 H new ATOM 0 HA VAL A 65 10.650 2.200 15.601 1.00 0.00 H new ATOM 0 HB VAL A 65 9.279 2.248 13.635 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.926 3.442 11.553 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.457 4.543 12.870 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.177 4.314 12.471 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.941 1.336 11.970 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.255 2.018 12.957 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.223 0.728 13.618 1.00 0.00 H new ATOM 988 N ASP A 66 13.064 2.716 15.292 1.00 0.00 N ATOM 989 CA ASP A 66 14.522 2.951 15.257 1.00 0.00 C ATOM 990 C ASP A 66 15.280 1.889 14.416 1.00 0.00 C ATOM 991 O ASP A 66 16.510 1.849 14.406 1.00 0.00 O ATOM 992 CB ASP A 66 15.026 3.020 16.710 1.00 0.00 C ATOM 993 CG ASP A 66 16.449 3.594 16.843 1.00 0.00 C ATOM 994 OD1 ASP A 66 16.722 4.690 16.302 1.00 0.00 O ATOM 995 OD2 ASP A 66 17.282 2.976 17.554 1.00 0.00 O ATOM 0 H ASP A 66 12.834 1.753 15.536 1.00 0.00 H new ATOM 0 HA ASP A 66 14.725 3.896 14.753 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.340 3.633 17.295 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.005 2.019 17.141 1.00 0.00 H new ATOM 1000 N CYS A 67 14.540 1.022 13.709 1.00 0.00 N ATOM 1001 CA CYS A 67 15.008 -0.107 12.888 1.00 0.00 C ATOM 1002 C CYS A 67 16.036 -1.004 13.614 1.00 0.00 C ATOM 1003 O CYS A 67 17.118 -1.305 13.109 1.00 0.00 O ATOM 1004 CB CYS A 67 15.441 0.401 11.503 1.00 0.00 C ATOM 1005 SG CYS A 67 14.229 1.507 10.722 1.00 0.00 S ATOM 0 H CYS A 67 13.523 1.096 13.694 1.00 0.00 H new ATOM 0 HA CYS A 67 14.176 -0.791 12.721 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.391 0.927 11.599 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.614 -0.454 10.849 1.00 0.00 H new ATOM 1010 N ASP A 68 15.669 -1.419 14.834 1.00 0.00 N ATOM 1011 CA ASP A 68 16.425 -2.294 15.745 1.00 0.00 C ATOM 1012 C ASP A 68 15.591 -2.777 16.961 1.00 0.00 C ATOM 1013 O ASP A 68 15.945 -3.774 17.589 1.00 0.00 O ATOM 1014 CB ASP A 68 17.718 -1.584 16.218 1.00 0.00 C ATOM 1015 CG ASP A 68 19.007 -2.215 15.654 1.00 0.00 C ATOM 1016 OD1 ASP A 68 19.066 -3.455 15.491 1.00 0.00 O ATOM 1017 OD2 ASP A 68 20.008 -1.488 15.449 1.00 0.00 O ATOM 0 H ASP A 68 14.777 -1.134 15.239 1.00 0.00 H new ATOM 0 HA ASP A 68 16.686 -3.188 15.178 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.676 -0.536 15.922 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.758 -1.607 17.307 1.00 0.00 H new ATOM 1022 N ASN A 69 14.456 -2.130 17.274 1.00 0.00 N ATOM 1023 CA ASN A 69 13.538 -2.475 18.378 1.00 0.00 C ATOM 1024 C ASN A 69 12.181 -3.044 17.905 1.00 0.00 C ATOM 1025 O ASN A 69 11.363 -3.471 18.720 1.00 0.00 O ATOM 1026 CB ASN A 69 13.340 -1.239 19.274 1.00 0.00 C ATOM 1027 CG ASN A 69 14.651 -0.745 19.856 1.00 0.00 C ATOM 1028 OD1 ASN A 69 15.248 0.246 19.236 1.00 0.00 O flip ATOM 1029 ND2 ASN A 69 15.161 -1.255 20.843 1.00 0.00 N flip ATOM 0 H ASN A 69 14.138 -1.318 16.744 1.00 0.00 H new ATOM 0 HA ASN A 69 14.002 -3.281 18.947 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.877 -0.441 18.694 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.653 -1.484 20.084 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.691 -2.025 21.320 1.00 0.00 H new ATOM 0 HD22 ASN A 69 16.056 -0.911 21.190 1.00 0.00 H new ATOM 1036 N ILE A 70 11.945 -3.111 16.587 1.00 0.00 N ATOM 1037 CA ILE A 70 10.714 -3.639 15.957 1.00 0.00 C ATOM 1038 C ILE A 70 10.474 -5.133 16.216 1.00 0.00 C ATOM 1039 O ILE A 70 9.384 -5.641 15.972 1.00 0.00 O ATOM 1040 CB ILE A 70 10.699 -3.322 14.449 1.00 0.00 C ATOM 1041 CG1 ILE A 70 11.842 -4.045 13.696 1.00 0.00 C ATOM 1042 CG2 ILE A 70 10.741 -1.792 14.285 1.00 0.00 C ATOM 1043 CD1 ILE A 70 12.059 -3.533 12.272 1.00 0.00 C ATOM 0 H ILE A 70 12.627 -2.789 15.901 1.00 0.00 H new ATOM 0 HA ILE A 70 9.881 -3.125 16.438 1.00 0.00 H new ATOM 0 HB ILE A 70 9.784 -3.701 13.994 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.768 -3.928 14.260 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.623 -5.112 13.660 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.731 -1.539 13.225 1.00 0.00 H new ATOM 0 HG22 ILE A 70 9.871 -1.350 14.771 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.650 -1.402 14.743 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.875 -4.086 11.807 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.147 -3.675 11.691 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.309 -2.473 12.301 1.00 0.00 H new ATOM 1055 N MET A 71 11.456 -5.820 16.806 1.00 0.00 N ATOM 1056 CA MET A 71 11.285 -7.135 17.450 1.00 0.00 C ATOM 1057 C MET A 71 10.155 -7.179 18.504 1.00 0.00 C ATOM 1058 O MET A 71 9.615 -8.252 18.775 1.00 0.00 O ATOM 1059 CB MET A 71 12.628 -7.603 18.040 1.00 0.00 C ATOM 1060 CG MET A 71 13.177 -6.735 19.186 1.00 0.00 C ATOM 1061 SD MET A 71 12.564 -7.117 20.851 1.00 0.00 S ATOM 1062 CE MET A 71 13.539 -8.607 21.210 1.00 0.00 C ATOM 0 H MET A 71 12.414 -5.474 16.853 1.00 0.00 H new ATOM 0 HA MET A 71 10.966 -7.828 16.672 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.511 -8.624 18.403 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.368 -7.631 17.240 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.263 -6.825 19.193 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.945 -5.693 18.967 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.285 -8.977 22.203 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.317 -9.375 20.469 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.601 -8.364 21.174 1.00 0.00 H new ATOM 1072 N SER A 72 9.769 -6.025 19.068 1.00 0.00 N ATOM 1073 CA SER A 72 8.678 -5.874 20.043 1.00 0.00 C ATOM 1074 C SER A 72 7.343 -5.407 19.424 1.00 0.00 C ATOM 1075 O SER A 72 6.277 -5.633 20.005 1.00 0.00 O ATOM 1076 CB SER A 72 9.138 -4.889 21.127 1.00 0.00 C ATOM 1077 OG SER A 72 8.280 -4.918 22.256 1.00 0.00 O ATOM 0 H SER A 72 10.224 -5.139 18.850 1.00 0.00 H new ATOM 0 HA SER A 72 8.471 -6.859 20.462 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.154 -5.135 21.435 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.165 -3.880 20.715 1.00 0.00 H new ATOM 0 HG SER A 72 8.602 -4.281 22.928 1.00 0.00 H new ATOM 1083 N THR A 73 7.364 -4.781 18.238 1.00 0.00 N ATOM 1084 CA THR A 73 6.161 -4.317 17.511 1.00 0.00 C ATOM 1085 C THR A 73 5.574 -5.420 16.612 1.00 0.00 C ATOM 1086 O THR A 73 6.069 -6.549 16.581 1.00 0.00 O ATOM 1087 CB THR A 73 6.437 -3.041 16.688 1.00 0.00 C ATOM 1088 OG1 THR A 73 7.249 -3.319 15.571 1.00 0.00 O ATOM 1089 CG2 THR A 73 7.113 -1.932 17.495 1.00 0.00 C ATOM 0 H THR A 73 8.232 -4.577 17.743 1.00 0.00 H new ATOM 0 HA THR A 73 5.420 -4.070 18.271 1.00 0.00 H new ATOM 0 HB THR A 73 5.454 -2.691 16.374 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.872 -4.043 15.791 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.277 -1.065 16.855 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.474 -1.650 18.332 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.070 -2.290 17.874 1.00 0.00 H new ATOM 1097 N ASN A 74 4.507 -5.117 15.860 1.00 0.00 N ATOM 1098 CA ASN A 74 3.897 -6.045 14.892 1.00 0.00 C ATOM 1099 C ASN A 74 4.839 -6.436 13.729 1.00 0.00 C ATOM 1100 O ASN A 74 4.640 -7.467 13.086 1.00 0.00 O ATOM 1101 CB ASN A 74 2.603 -5.418 14.340 1.00 0.00 C ATOM 1102 CG ASN A 74 1.588 -5.101 15.425 1.00 0.00 C ATOM 1103 OD1 ASN A 74 0.985 -5.977 16.026 1.00 0.00 O ATOM 1104 ND2 ASN A 74 1.375 -3.836 15.714 1.00 0.00 N ATOM 0 H ASN A 74 4.037 -4.213 15.905 1.00 0.00 H new ATOM 0 HA ASN A 74 3.681 -6.970 15.427 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.850 -4.503 13.802 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.154 -6.100 13.618 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.705 -3.585 16.441 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.880 -3.106 15.211 1.00 0.00 H new ATOM 1111 N LEU A 75 5.875 -5.633 13.469 1.00 0.00 N ATOM 1112 CA LEU A 75 6.832 -5.769 12.362 1.00 0.00 C ATOM 1113 C LEU A 75 8.061 -6.639 12.718 1.00 0.00 C ATOM 1114 O LEU A 75 9.094 -6.564 12.048 1.00 0.00 O ATOM 1115 CB LEU A 75 7.230 -4.354 11.885 1.00 0.00 C ATOM 1116 CG LEU A 75 6.195 -3.552 11.065 1.00 0.00 C ATOM 1117 CD1 LEU A 75 5.742 -4.299 9.807 1.00 0.00 C ATOM 1118 CD2 LEU A 75 4.959 -3.120 11.848 1.00 0.00 C ATOM 0 H LEU A 75 6.082 -4.825 14.057 1.00 0.00 H new ATOM 0 HA LEU A 75 6.348 -6.308 11.547 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.489 -3.765 12.765 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.135 -4.445 11.284 1.00 0.00 H new ATOM 0 HG LEU A 75 6.739 -2.649 10.787 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.015 -3.693 9.266 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.603 -4.490 9.167 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.285 -5.247 10.091 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.289 -2.564 11.192 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.444 -4.001 12.230 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.260 -2.486 12.682 1.00 0.00 H new ATOM 1130 N PHE A 76 7.954 -7.508 13.730 1.00 0.00 N ATOM 1131 CA PHE A 76 9.015 -8.398 14.223 1.00 0.00 C ATOM 1132 C PHE A 76 9.495 -9.449 13.207 1.00 0.00 C ATOM 1133 O PHE A 76 10.479 -10.148 13.455 1.00 0.00 O ATOM 1134 CB PHE A 76 8.543 -9.092 15.509 1.00 0.00 C ATOM 1135 CG PHE A 76 7.463 -10.148 15.320 1.00 0.00 C ATOM 1136 CD1 PHE A 76 6.103 -9.788 15.305 1.00 0.00 C ATOM 1137 CD2 PHE A 76 7.821 -11.501 15.156 1.00 0.00 C ATOM 1138 CE1 PHE A 76 5.109 -10.765 15.124 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.827 -12.481 14.976 1.00 0.00 C ATOM 1140 CZ PHE A 76 5.470 -12.113 14.960 1.00 0.00 C ATOM 0 H PHE A 76 7.085 -7.616 14.253 1.00 0.00 H new ATOM 0 HA PHE A 76 9.878 -7.760 14.414 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.404 -9.558 15.988 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.169 -8.333 16.196 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.821 -8.753 15.433 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.862 -11.787 15.168 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.067 -10.480 15.111 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.107 -13.517 14.850 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.707 -12.865 14.822 1.00 0.00 H new ATOM 1150 N HIS A 77 8.824 -9.553 12.054 1.00 0.00 N ATOM 1151 CA HIS A 77 9.097 -10.530 10.991 1.00 0.00 C ATOM 1152 C HIS A 77 10.477 -10.370 10.305 1.00 0.00 C ATOM 1153 O HIS A 77 10.860 -11.204 9.486 1.00 0.00 O ATOM 1154 CB HIS A 77 7.931 -10.476 9.983 1.00 0.00 C ATOM 1155 CG HIS A 77 7.910 -11.629 9.008 1.00 0.00 C ATOM 1156 ND1 HIS A 77 7.629 -12.948 9.320 1.00 0.00 N ATOM 1157 CD2 HIS A 77 8.188 -11.556 7.672 1.00 0.00 C ATOM 1158 CE1 HIS A 77 7.746 -13.667 8.184 1.00 0.00 C ATOM 1159 NE2 HIS A 77 8.083 -12.842 7.169 1.00 0.00 N ATOM 0 H HIS A 77 8.045 -8.935 11.826 1.00 0.00 H new ATOM 0 HA HIS A 77 9.160 -11.517 11.449 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.990 -10.460 10.532 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.990 -9.542 9.424 1.00 0.00 H new ATOM 0 HD2 HIS A 77 8.441 -10.666 7.115 1.00 0.00 H new ATOM 0 HE1 HIS A 77 7.594 -14.733 8.100 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.234 -13.119 6.199 1.00 0.00 H new ATOM 1168 N CYS A 78 11.232 -9.311 10.626 1.00 0.00 N ATOM 1169 CA CYS A 78 12.542 -8.964 10.039 1.00 0.00 C ATOM 1170 C CYS A 78 12.545 -8.858 8.492 1.00 0.00 C ATOM 1171 O CYS A 78 13.524 -9.203 7.823 1.00 0.00 O ATOM 1172 CB CYS A 78 13.633 -9.888 10.618 1.00 0.00 C ATOM 1173 SG CYS A 78 14.934 -9.036 11.549 1.00 0.00 S ATOM 0 H CYS A 78 10.936 -8.639 11.334 1.00 0.00 H new ATOM 0 HA CYS A 78 12.779 -7.943 10.339 1.00 0.00 H new ATOM 0 HB2 CYS A 78 13.160 -10.621 11.271 1.00 0.00 H new ATOM 0 HB3 CYS A 78 14.094 -10.440 9.799 1.00 0.00 H new ATOM 1178 N LYS A 79 11.420 -8.398 7.918 1.00 0.00 N ATOM 1179 CA LYS A 79 11.197 -8.210 6.471 1.00 0.00 C ATOM 1180 C LYS A 79 12.243 -7.309 5.790 1.00 0.00 C ATOM 1181 O LYS A 79 12.876 -6.475 6.431 1.00 0.00 O ATOM 1182 CB LYS A 79 9.745 -7.758 6.203 1.00 0.00 C ATOM 1183 CG LYS A 79 9.193 -6.627 7.090 1.00 0.00 C ATOM 1184 CD LYS A 79 9.861 -5.261 6.873 1.00 0.00 C ATOM 1185 CE LYS A 79 10.752 -4.791 8.034 1.00 0.00 C ATOM 1186 NZ LYS A 79 9.949 -4.317 9.195 1.00 0.00 N ATOM 0 H LYS A 79 10.605 -8.135 8.472 1.00 0.00 H new ATOM 0 HA LYS A 79 11.339 -9.182 5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.676 -7.438 5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.094 -8.625 6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.123 -6.527 6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.311 -6.912 8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.463 -5.306 5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.085 -4.515 6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.398 -5.610 8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.402 -3.987 7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.431 -3.513 9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.008 -4.018 8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.846 -5.089 9.884 1.00 0.00 H new ATOM 1200 N ASP A 80 12.383 -7.448 4.472 1.00 0.00 N ATOM 1201 CA ASP A 80 13.414 -6.793 3.649 1.00 0.00 C ATOM 1202 C ASP A 80 13.340 -5.254 3.621 1.00 0.00 C ATOM 1203 O ASP A 80 14.382 -4.594 3.626 1.00 0.00 O ATOM 1204 CB ASP A 80 13.393 -7.382 2.229 1.00 0.00 C ATOM 1205 CG ASP A 80 12.068 -7.151 1.481 1.00 0.00 C ATOM 1206 OD1 ASP A 80 11.042 -7.758 1.871 1.00 0.00 O ATOM 1207 OD2 ASP A 80 12.055 -6.377 0.496 1.00 0.00 O ATOM 0 H ASP A 80 11.761 -8.041 3.922 1.00 0.00 H new ATOM 0 HA ASP A 80 14.369 -7.007 4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 80 14.207 -6.943 1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.585 -8.453 2.287 1.00 0.00 H new ATOM 1212 N LYS A 81 12.131 -4.674 3.645 1.00 0.00 N ATOM 1213 CA LYS A 81 11.877 -3.249 3.933 1.00 0.00 C ATOM 1214 C LYS A 81 10.428 -2.976 4.337 1.00 0.00 C ATOM 1215 O LYS A 81 9.540 -3.784 4.063 1.00 0.00 O ATOM 1216 CB LYS A 81 12.254 -2.353 2.730 1.00 0.00 C ATOM 1217 CG LYS A 81 11.637 -2.801 1.399 1.00 0.00 C ATOM 1218 CD LYS A 81 11.457 -1.666 0.376 1.00 0.00 C ATOM 1219 CE LYS A 81 10.306 -0.722 0.764 1.00 0.00 C ATOM 1220 NZ LYS A 81 10.124 0.371 -0.229 1.00 0.00 N ATOM 0 H LYS A 81 11.275 -5.197 3.459 1.00 0.00 H new ATOM 0 HA LYS A 81 12.514 -3.000 4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.938 -1.331 2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.339 -2.337 2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.268 -3.574 0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.666 -3.256 1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.383 -1.097 0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.261 -2.092 -0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.381 -1.293 0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.505 -0.291 1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.339 0.984 0.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.997 0.932 -0.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.908 -0.038 -1.160 1.00 0.00 H new ATOM 1234 N ASN A 82 10.183 -1.810 4.936 1.00 0.00 N ATOM 1235 CA ASN A 82 8.837 -1.256 5.135 1.00 0.00 C ATOM 1236 C ASN A 82 8.767 0.214 4.695 1.00 0.00 C ATOM 1237 O ASN A 82 9.799 0.869 4.536 1.00 0.00 O ATOM 1238 CB ASN A 82 8.428 -1.420 6.615 1.00 0.00 C ATOM 1239 CG ASN A 82 6.921 -1.465 6.838 1.00 0.00 C ATOM 1240 OD1 ASN A 82 6.131 -1.730 5.946 1.00 0.00 O ATOM 1241 ND2 ASN A 82 6.480 -1.234 8.049 1.00 0.00 N ATOM 0 H ASN A 82 10.923 -1.212 5.303 1.00 0.00 H new ATOM 0 HA ASN A 82 8.133 -1.807 4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.871 -2.337 7.005 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.846 -0.594 7.191 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.480 -1.276 8.244 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.137 -1.012 8.797 1.00 0.00 H new ATOM 1248 N THR A 83 7.545 0.736 4.560 1.00 0.00 N ATOM 1249 CA THR A 83 7.264 2.158 4.314 1.00 0.00 C ATOM 1250 C THR A 83 6.274 2.670 5.364 1.00 0.00 C ATOM 1251 O THR A 83 5.059 2.521 5.196 1.00 0.00 O ATOM 1252 CB THR A 83 6.697 2.381 2.901 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.536 1.808 1.914 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.563 3.872 2.604 1.00 0.00 C ATOM 0 H THR A 83 6.700 0.169 4.620 1.00 0.00 H new ATOM 0 HA THR A 83 8.200 2.712 4.388 1.00 0.00 H new ATOM 0 HB THR A 83 5.718 1.902 2.871 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.150 1.963 1.027 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.160 4.008 1.600 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.890 4.329 3.330 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.543 4.346 2.669 1.00 0.00 H new ATOM 1262 N PHE A 84 6.779 3.248 6.457 1.00 0.00 N ATOM 1263 CA PHE A 84 5.952 3.881 7.485 1.00 0.00 C ATOM 1264 C PHE A 84 5.483 5.265 7.028 1.00 0.00 C ATOM 1265 O PHE A 84 6.292 6.147 6.719 1.00 0.00 O ATOM 1266 CB PHE A 84 6.662 3.981 8.839 1.00 0.00 C ATOM 1267 CG PHE A 84 7.073 2.664 9.456 1.00 0.00 C ATOM 1268 CD1 PHE A 84 6.099 1.776 9.957 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.439 2.345 9.561 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.496 0.579 10.580 1.00 0.00 C ATOM 1271 CE2 PHE A 84 8.828 1.114 10.120 1.00 0.00 C ATOM 1272 CZ PHE A 84 7.861 0.242 10.655 1.00 0.00 C ATOM 0 H PHE A 84 7.779 3.290 6.654 1.00 0.00 H new ATOM 0 HA PHE A 84 5.084 3.236 7.626 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.552 4.599 8.719 1.00 0.00 H new ATOM 0 HB3 PHE A 84 6.005 4.500 9.537 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.050 2.015 9.863 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.187 3.043 9.214 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.753 -0.082 11.001 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.872 0.837 10.139 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.165 -0.683 11.122 1.00 0.00 H new ATOM 1282 N ILE A 85 4.167 5.456 7.004 1.00 0.00 N ATOM 1283 CA ILE A 85 3.509 6.735 6.721 1.00 0.00 C ATOM 1284 C ILE A 85 3.123 7.372 8.062 1.00 0.00 C ATOM 1285 O ILE A 85 2.294 6.819 8.788 1.00 0.00 O ATOM 1286 CB ILE A 85 2.282 6.497 5.813 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.702 5.902 4.448 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.471 7.784 5.592 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.511 5.334 3.673 1.00 0.00 C ATOM 0 H ILE A 85 3.505 4.702 7.187 1.00 0.00 H new ATOM 0 HA ILE A 85 4.173 7.415 6.188 1.00 0.00 H new ATOM 0 HB ILE A 85 1.646 5.780 6.331 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.187 6.674 3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.438 5.114 4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.618 7.570 4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.116 8.160 6.552 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.103 8.536 5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.856 4.928 2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.041 4.542 4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.786 6.127 3.487 1.00 0.00 H new ATOM 1301 N TYR A 86 3.721 8.512 8.415 1.00 0.00 N ATOM 1302 CA TYR A 86 3.248 9.334 9.530 1.00 0.00 C ATOM 1303 C TYR A 86 2.163 10.312 9.044 1.00 0.00 C ATOM 1304 O TYR A 86 2.446 11.459 8.682 1.00 0.00 O ATOM 1305 CB TYR A 86 4.432 10.007 10.238 1.00 0.00 C ATOM 1306 CG TYR A 86 4.114 10.920 11.418 1.00 0.00 C ATOM 1307 CD1 TYR A 86 2.897 10.826 12.125 1.00 0.00 C ATOM 1308 CD2 TYR A 86 5.062 11.888 11.804 1.00 0.00 C ATOM 1309 CE1 TYR A 86 2.615 11.722 13.173 1.00 0.00 C ATOM 1310 CE2 TYR A 86 4.789 12.781 12.861 1.00 0.00 C ATOM 1311 CZ TYR A 86 3.556 12.704 13.544 1.00 0.00 C ATOM 1312 OH TYR A 86 3.269 13.570 14.555 1.00 0.00 O ATOM 0 H TYR A 86 4.541 8.889 7.940 1.00 0.00 H new ATOM 0 HA TYR A 86 2.771 8.707 10.284 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.105 9.224 10.589 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.980 10.590 9.498 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.179 10.064 11.861 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.007 11.947 11.285 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.672 11.657 13.696 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.521 13.522 13.147 1.00 0.00 H new ATOM 0 HH TYR A 86 4.023 14.182 14.685 1.00 0.00 H new ATOM 1322 N SER A 87 0.911 9.845 9.024 1.00 0.00 N ATOM 1323 CA SER A 87 -0.291 10.668 8.820 1.00 0.00 C ATOM 1324 C SER A 87 -1.495 10.146 9.620 1.00 0.00 C ATOM 1325 O SER A 87 -1.495 9.013 10.113 1.00 0.00 O ATOM 1326 CB SER A 87 -0.638 10.764 7.323 1.00 0.00 C ATOM 1327 OG SER A 87 -1.139 9.542 6.809 1.00 0.00 O ATOM 0 H SER A 87 0.697 8.856 9.153 1.00 0.00 H new ATOM 0 HA SER A 87 -0.062 11.666 9.193 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.379 11.550 7.173 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.252 11.054 6.764 1.00 0.00 H new ATOM 0 HG SER A 87 -1.348 9.648 5.857 1.00 0.00 H new ATOM 1333 N ARG A 88 -2.547 10.968 9.723 1.00 0.00 N ATOM 1334 CA ARG A 88 -3.869 10.568 10.236 1.00 0.00 C ATOM 1335 C ARG A 88 -4.621 9.694 9.221 1.00 0.00 C ATOM 1336 O ARG A 88 -4.274 9.716 8.040 1.00 0.00 O ATOM 1337 CB ARG A 88 -4.676 11.834 10.587 1.00 0.00 C ATOM 1338 CG ARG A 88 -4.291 12.338 11.984 1.00 0.00 C ATOM 1339 CD ARG A 88 -5.172 13.517 12.424 1.00 0.00 C ATOM 1340 NE ARG A 88 -5.532 13.416 13.853 1.00 0.00 N ATOM 1341 CZ ARG A 88 -6.418 14.149 14.507 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -7.018 15.165 13.955 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -6.725 13.863 15.740 1.00 0.00 N ATOM 0 H ARG A 88 -2.505 11.949 9.447 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.736 9.966 11.135 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.486 12.612 9.847 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.743 11.615 10.553 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.385 11.525 12.703 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.245 12.645 11.985 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.645 14.454 12.245 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.079 13.541 11.819 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.044 12.703 14.395 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.810 15.417 12.989 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.696 15.709 14.489 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.282 13.071 16.205 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.409 14.431 16.240 1.00 0.00 H new ATOM 1357 N PRO A 89 -5.690 8.983 9.628 1.00 0.00 N ATOM 1358 CA PRO A 89 -6.527 8.214 8.706 1.00 0.00 C ATOM 1359 C PRO A 89 -7.402 9.070 7.772 1.00 0.00 C ATOM 1360 O PRO A 89 -7.776 8.603 6.698 1.00 0.00 O ATOM 1361 CB PRO A 89 -7.389 7.317 9.601 1.00 0.00 C ATOM 1362 CG PRO A 89 -7.460 8.069 10.928 1.00 0.00 C ATOM 1363 CD PRO A 89 -6.092 8.740 11.009 1.00 0.00 C ATOM 0 HA PRO A 89 -5.894 7.652 8.019 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.381 7.166 9.176 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.942 6.331 9.726 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.270 8.799 10.937 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.630 7.394 11.767 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.146 9.672 11.571 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.372 8.101 11.520 1.00 0.00 H new ATOM 1371 N GLU A 90 -7.715 10.318 8.132 1.00 0.00 N ATOM 1372 CA GLU A 90 -8.551 11.234 7.336 1.00 0.00 C ATOM 1373 C GLU A 90 -7.965 11.514 5.934 1.00 0.00 C ATOM 1374 O GLU A 90 -8.625 11.176 4.949 1.00 0.00 O ATOM 1375 CB GLU A 90 -8.824 12.533 8.123 1.00 0.00 C ATOM 1376 CG GLU A 90 -9.970 12.403 9.136 1.00 0.00 C ATOM 1377 CD GLU A 90 -11.350 12.426 8.446 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -11.898 13.532 8.216 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -11.895 11.339 8.136 1.00 0.00 O ATOM 0 H GLU A 90 -7.389 10.733 9.005 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.505 10.737 7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.916 12.828 8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.059 13.332 7.420 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.858 11.473 9.694 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.911 13.217 9.858 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.732 12.049 5.795 1.00 0.00 N ATOM 1387 CA PRO A 91 -6.112 12.321 4.489 1.00 0.00 C ATOM 1388 C PRO A 91 -5.716 11.071 3.687 1.00 0.00 C ATOM 1389 O PRO A 91 -5.183 11.201 2.588 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.879 13.177 4.795 1.00 0.00 C ATOM 1391 CG PRO A 91 -4.491 12.771 6.213 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.838 12.482 6.866 1.00 0.00 C ATOM 0 HA PRO A 91 -6.839 12.819 3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.072 12.981 4.089 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.106 14.241 4.733 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.843 11.895 6.219 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.955 13.568 6.729 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.742 11.709 7.628 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.228 13.371 7.362 1.00 0.00 H new ATOM 1400 N VAL A 92 -5.973 9.873 4.218 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.722 8.565 3.594 1.00 0.00 C ATOM 1402 C VAL A 92 -7.037 7.976 3.076 1.00 0.00 C ATOM 1403 O VAL A 92 -7.166 7.694 1.887 1.00 0.00 O ATOM 1404 CB VAL A 92 -5.023 7.621 4.598 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.601 6.310 3.928 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.763 8.231 5.229 1.00 0.00 C ATOM 0 H VAL A 92 -6.385 9.781 5.147 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.054 8.688 2.742 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.765 7.446 5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.112 5.668 4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.481 5.804 3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.909 6.524 3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.321 7.516 5.924 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.043 8.469 4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.029 9.142 5.766 1.00 0.00 H new ATOM 1416 N LYS A 93 -8.051 7.833 3.936 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.362 7.280 3.561 1.00 0.00 C ATOM 1418 C LYS A 93 -10.131 8.183 2.590 1.00 0.00 C ATOM 1419 O LYS A 93 -10.705 7.696 1.619 1.00 0.00 O ATOM 1420 CB LYS A 93 -10.208 6.978 4.815 1.00 0.00 C ATOM 1421 CG LYS A 93 -11.007 5.673 4.633 1.00 0.00 C ATOM 1422 CD LYS A 93 -12.347 5.603 5.379 1.00 0.00 C ATOM 1423 CE LYS A 93 -12.222 5.554 6.904 1.00 0.00 C ATOM 1424 NZ LYS A 93 -12.174 6.894 7.546 1.00 0.00 N ATOM 0 H LYS A 93 -7.987 8.099 4.919 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.169 6.346 3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.558 6.894 5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.892 7.805 5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.197 5.530 3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.386 4.840 4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.947 6.470 5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.890 4.720 5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.066 4.997 7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.319 5.003 7.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.158 6.783 8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.317 7.396 7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -13.014 7.442 7.270 1.00 0.00 H new ATOM 1438 N ALA A 94 -10.125 9.495 2.837 1.00 0.00 N ATOM 1439 CA ALA A 94 -10.915 10.486 2.097 1.00 0.00 C ATOM 1440 C ALA A 94 -10.366 10.824 0.699 1.00 0.00 C ATOM 1441 O ALA A 94 -11.021 11.548 -0.055 1.00 0.00 O ATOM 1442 CB ALA A 94 -11.028 11.754 2.944 1.00 0.00 C ATOM 0 H ALA A 94 -9.557 9.910 3.576 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.894 10.041 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.613 12.500 2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.520 11.519 3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -10.032 12.149 3.143 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.190 10.295 0.329 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.650 10.384 -1.040 1.00 0.00 C ATOM 1450 C ILE A 95 -9.681 9.864 -2.065 1.00 0.00 C ATOM 1451 O ILE A 95 -9.826 10.437 -3.147 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.310 9.617 -1.175 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.260 10.071 -0.138 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -6.710 9.815 -2.579 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -5.023 9.163 -0.068 1.00 0.00 C ATOM 0 H ILE A 95 -8.582 9.790 0.974 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.450 11.435 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.545 8.567 -1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.941 11.085 -0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.728 10.108 0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.770 9.269 -2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.407 9.441 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.528 10.876 -2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.332 9.547 0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.328 8.152 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.530 9.145 -1.040 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.446 8.827 -1.695 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.556 8.287 -2.479 1.00 0.00 C ATOM 1469 C CYS A 96 -12.930 8.536 -1.830 1.00 0.00 C ATOM 1470 O CYS A 96 -13.047 8.744 -0.618 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.316 6.794 -2.718 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.079 5.744 -1.263 1.00 0.00 S ATOM 0 H CYS A 96 -10.302 8.330 -0.816 1.00 0.00 H new ATOM 0 HA CYS A 96 -11.584 8.815 -3.432 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.163 6.403 -3.281 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.436 6.692 -3.354 1.00 0.00 H new ATOM 1477 N LYS A 97 -13.986 8.488 -2.656 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.393 8.676 -2.265 1.00 0.00 C ATOM 1479 C LYS A 97 -16.329 7.987 -3.269 1.00 0.00 C ATOM 1480 O LYS A 97 -16.463 8.438 -4.406 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.683 10.189 -2.145 1.00 0.00 C ATOM 1482 CG LYS A 97 -16.984 10.524 -1.394 1.00 0.00 C ATOM 1483 CD LYS A 97 -16.893 10.212 0.109 1.00 0.00 C ATOM 1484 CE LYS A 97 -18.105 10.795 0.848 1.00 0.00 C ATOM 1485 NZ LYS A 97 -18.027 10.535 2.311 1.00 0.00 N ATOM 0 H LYS A 97 -13.880 8.310 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.576 8.212 -1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.848 10.668 -1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.733 10.618 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.216 11.580 -1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.807 9.958 -1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.850 9.134 0.262 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.973 10.629 0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.159 11.869 0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.021 10.359 0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.861 10.942 2.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.000 9.509 2.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -17.165 10.972 2.696 1.00 0.00 H new ATOM 1499 N GLY A 98 -16.917 6.853 -2.878 1.00 0.00 N ATOM 1500 CA GLY A 98 -17.811 6.051 -3.733 1.00 0.00 C ATOM 1501 C GLY A 98 -17.093 5.067 -4.669 1.00 0.00 C ATOM 1502 O GLY A 98 -17.743 4.428 -5.497 1.00 0.00 O ATOM 0 H GLY A 98 -16.787 6.457 -1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.495 5.491 -3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.418 6.727 -4.335 1.00 0.00 H new ATOM 1506 N ILE A 99 -15.765 4.932 -4.558 1.00 0.00 N ATOM 1507 CA ILE A 99 -14.941 4.050 -5.397 1.00 0.00 C ATOM 1508 C ILE A 99 -15.072 2.588 -4.947 1.00 0.00 C ATOM 1509 O ILE A 99 -14.687 2.217 -3.836 1.00 0.00 O ATOM 1510 CB ILE A 99 -13.469 4.529 -5.443 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -13.412 5.959 -6.039 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -12.615 3.551 -6.271 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -12.004 6.536 -6.238 1.00 0.00 C ATOM 0 H ILE A 99 -15.220 5.445 -3.865 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.314 4.103 -6.420 1.00 0.00 H new ATOM 0 HB ILE A 99 -13.062 4.554 -4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -13.923 5.953 -7.002 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.971 6.629 -5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -11.583 3.900 -6.295 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -12.653 2.561 -5.817 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.004 3.499 -7.288 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.078 7.539 -6.659 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.491 6.583 -5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.442 5.897 -6.919 1.00 0.00 H new ATOM 1525 N ILE A 100 -15.610 1.754 -5.839 1.00 0.00 N ATOM 1526 CA ILE A 100 -15.756 0.289 -5.705 1.00 0.00 C ATOM 1527 C ILE A 100 -14.826 -0.452 -6.699 1.00 0.00 C ATOM 1528 O ILE A 100 -14.557 -1.643 -6.563 1.00 0.00 O ATOM 1529 CB ILE A 100 -17.256 -0.103 -5.861 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -18.164 0.848 -5.037 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -17.508 -1.546 -5.400 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -19.648 0.474 -4.933 1.00 0.00 C ATOM 0 H ILE A 100 -15.979 2.094 -6.727 1.00 0.00 H new ATOM 0 HA ILE A 100 -15.440 -0.024 -4.710 1.00 0.00 H new ATOM 0 HB ILE A 100 -17.499 -0.017 -6.920 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -17.759 0.913 -4.027 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.095 1.845 -5.473 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -18.564 -1.788 -5.522 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -16.908 -2.230 -6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -17.232 -1.646 -4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -20.170 1.219 -4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -20.086 0.442 -5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -19.745 -0.504 -4.463 1.00 0.00 H new ATOM 1544 N ALA A 101 -14.258 0.278 -7.665 1.00 0.00 N ATOM 1545 CA ALA A 101 -13.501 -0.205 -8.825 1.00 0.00 C ATOM 1546 C ALA A 101 -12.068 -0.722 -8.537 1.00 0.00 C ATOM 1547 O ALA A 101 -11.329 -0.994 -9.486 1.00 0.00 O ATOM 1548 CB ALA A 101 -13.478 0.946 -9.845 1.00 0.00 C ATOM 0 H ALA A 101 -14.320 1.296 -7.656 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.007 -1.095 -9.200 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -12.924 0.636 -10.731 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -14.499 1.203 -10.127 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -12.995 1.816 -9.401 1.00 0.00 H new ATOM 1554 N SER A 102 -11.651 -0.852 -7.268 1.00 0.00 N ATOM 1555 CA SER A 102 -10.266 -1.162 -6.859 1.00 0.00 C ATOM 1556 C SER A 102 -9.209 -0.256 -7.540 1.00 0.00 C ATOM 1557 O SER A 102 -8.397 -0.710 -8.353 1.00 0.00 O ATOM 1558 CB SER A 102 -9.986 -2.659 -7.060 1.00 0.00 C ATOM 1559 OG SER A 102 -8.854 -3.075 -6.311 1.00 0.00 O ATOM 0 H SER A 102 -12.282 -0.742 -6.474 1.00 0.00 H new ATOM 0 HA SER A 102 -10.174 -0.936 -5.797 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.858 -3.239 -6.758 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.820 -2.862 -8.118 1.00 0.00 H new ATOM 0 HG SER A 102 -8.699 -4.032 -6.456 1.00 0.00 H new ATOM 1565 N LYS A 103 -9.220 1.055 -7.228 1.00 0.00 N ATOM 1566 CA LYS A 103 -8.284 2.073 -7.765 1.00 0.00 C ATOM 1567 C LYS A 103 -8.228 3.312 -6.862 1.00 0.00 C ATOM 1568 O LYS A 103 -9.155 3.544 -6.099 1.00 0.00 O ATOM 1569 CB LYS A 103 -8.722 2.444 -9.198 1.00 0.00 C ATOM 1570 CG LYS A 103 -7.544 2.936 -10.053 1.00 0.00 C ATOM 1571 CD LYS A 103 -7.909 2.964 -11.545 1.00 0.00 C ATOM 1572 CE LYS A 103 -6.670 3.285 -12.389 1.00 0.00 C ATOM 1573 NZ LYS A 103 -6.961 3.199 -13.845 1.00 0.00 N ATOM 0 H LYS A 103 -9.898 1.450 -6.577 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.276 1.658 -7.791 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.177 1.575 -9.674 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.486 3.220 -9.154 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.250 3.935 -9.730 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.684 2.285 -9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.321 2.000 -11.844 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.683 3.711 -11.723 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.314 4.286 -12.147 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.868 2.592 -12.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.101 3.422 -14.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.277 2.236 -14.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.709 3.878 -14.090 1.00 0.00 H new ATOM 1587 N ASN A 104 -7.166 4.114 -6.901 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.113 5.435 -6.260 1.00 0.00 C ATOM 1589 C ASN A 104 -6.280 6.444 -7.079 1.00 0.00 C ATOM 1590 O ASN A 104 -5.898 6.168 -8.220 1.00 0.00 O ATOM 1591 CB ASN A 104 -6.565 5.271 -4.826 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.246 6.162 -3.798 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -7.835 7.180 -4.116 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.167 5.808 -2.536 1.00 0.00 N ATOM 0 H ASN A 104 -6.303 3.865 -7.385 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.121 5.848 -6.215 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.678 4.230 -4.522 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.497 5.488 -4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.600 6.386 -1.816 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.673 4.955 -2.276 1.00 0.00 H new ATOM 1601 N VAL A 105 -5.978 7.602 -6.488 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.075 8.635 -7.016 1.00 0.00 C ATOM 1603 C VAL A 105 -4.005 8.944 -5.962 1.00 0.00 C ATOM 1604 O VAL A 105 -4.294 8.958 -4.765 1.00 0.00 O ATOM 1605 CB VAL A 105 -5.864 9.913 -7.390 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -4.995 10.913 -8.164 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -7.087 9.615 -8.273 1.00 0.00 C ATOM 0 H VAL A 105 -6.374 7.860 -5.584 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.595 8.269 -7.923 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.184 10.332 -6.436 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.586 11.796 -8.408 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.142 11.205 -7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.639 10.450 -9.084 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.604 10.546 -8.505 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.761 9.140 -9.198 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.765 8.947 -7.742 1.00 0.00 H new ATOM 1617 N LEU A 106 -2.768 9.203 -6.394 1.00 0.00 N ATOM 1618 CA LEU A 106 -1.692 9.749 -5.559 1.00 0.00 C ATOM 1619 C LEU A 106 -2.140 11.013 -4.792 1.00 0.00 C ATOM 1620 O LEU A 106 -2.855 11.860 -5.337 1.00 0.00 O ATOM 1621 CB LEU A 106 -0.488 10.054 -6.481 1.00 0.00 C ATOM 1622 CG LEU A 106 0.787 10.571 -5.789 1.00 0.00 C ATOM 1623 CD1 LEU A 106 1.446 9.481 -4.954 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.786 11.071 -6.828 1.00 0.00 C ATOM 0 H LEU A 106 -2.479 9.035 -7.358 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.414 9.018 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.236 9.145 -7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.801 10.793 -7.219 1.00 0.00 H new ATOM 0 HG LEU A 106 0.494 11.389 -5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.343 9.879 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.751 9.139 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.717 8.644 -5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.683 11.434 -6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.051 10.255 -7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.339 11.882 -7.402 1.00 0.00 H new ATOM 1636 N THR A 107 -1.693 11.166 -3.542 1.00 0.00 N ATOM 1637 CA THR A 107 -1.907 12.394 -2.744 1.00 0.00 C ATOM 1638 C THR A 107 -1.237 13.646 -3.348 1.00 0.00 C ATOM 1639 O THR A 107 -0.461 13.571 -4.301 1.00 0.00 O ATOM 1640 CB THR A 107 -1.454 12.234 -1.276 1.00 0.00 C ATOM 1641 OG1 THR A 107 -0.751 11.042 -1.031 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.648 12.238 -0.325 1.00 0.00 C ATOM 0 H THR A 107 -1.170 10.444 -3.046 1.00 0.00 H new ATOM 0 HA THR A 107 -2.986 12.545 -2.769 1.00 0.00 H new ATOM 0 HB THR A 107 -0.795 13.084 -1.101 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.465 11.018 -0.094 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.297 12.124 0.700 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.187 13.181 -0.421 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.315 11.412 -0.574 1.00 0.00 H new ATOM 1650 N THR A 108 -1.509 14.817 -2.762 1.00 0.00 N ATOM 1651 CA THR A 108 -0.952 16.123 -3.184 1.00 0.00 C ATOM 1652 C THR A 108 -0.142 16.830 -2.085 1.00 0.00 C ATOM 1653 O THR A 108 0.808 17.556 -2.388 1.00 0.00 O ATOM 1654 CB THR A 108 -2.069 17.020 -3.756 1.00 0.00 C ATOM 1655 OG1 THR A 108 -1.534 18.139 -4.433 1.00 0.00 O ATOM 1656 CG2 THR A 108 -3.072 17.526 -2.715 1.00 0.00 C ATOM 0 H THR A 108 -2.137 14.893 -1.961 1.00 0.00 H new ATOM 0 HA THR A 108 -0.230 15.922 -3.976 1.00 0.00 H new ATOM 0 HB THR A 108 -2.608 16.369 -4.444 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.265 18.688 -4.786 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.821 18.148 -3.204 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.561 16.677 -2.238 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.548 18.114 -1.961 1.00 0.00 H new ATOM 1664 N SER A 109 -0.472 16.591 -0.812 1.00 0.00 N ATOM 1665 CA SER A 109 0.271 17.068 0.366 1.00 0.00 C ATOM 1666 C SER A 109 1.542 16.242 0.613 1.00 0.00 C ATOM 1667 O SER A 109 1.764 15.211 -0.023 1.00 0.00 O ATOM 1668 CB SER A 109 -0.631 17.009 1.608 1.00 0.00 C ATOM 1669 OG SER A 109 -1.829 17.746 1.404 1.00 0.00 O ATOM 0 H SER A 109 -1.293 16.040 -0.561 1.00 0.00 H new ATOM 0 HA SER A 109 0.573 18.097 0.173 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.873 15.971 1.837 1.00 0.00 H new ATOM 0 HB3 SER A 109 -0.096 17.409 2.469 1.00 0.00 H new ATOM 0 HG SER A 109 -2.387 17.692 2.208 1.00 0.00 H new ATOM 1675 N GLU A 110 2.388 16.680 1.547 1.00 0.00 N ATOM 1676 CA GLU A 110 3.690 16.062 1.835 1.00 0.00 C ATOM 1677 C GLU A 110 3.790 15.642 3.309 1.00 0.00 C ATOM 1678 O GLU A 110 3.816 16.481 4.213 1.00 0.00 O ATOM 1679 CB GLU A 110 4.840 16.976 1.371 1.00 0.00 C ATOM 1680 CG GLU A 110 4.638 17.392 -0.098 1.00 0.00 C ATOM 1681 CD GLU A 110 5.910 17.853 -0.829 1.00 0.00 C ATOM 1682 OE1 GLU A 110 6.689 18.674 -0.271 1.00 0.00 O ATOM 1683 OE2 GLU A 110 6.092 17.428 -1.993 1.00 0.00 O ATOM 0 H GLU A 110 2.187 17.488 2.136 1.00 0.00 H new ATOM 0 HA GLU A 110 3.782 15.141 1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.886 17.863 2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.792 16.457 1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.211 16.550 -0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.906 18.199 -0.133 1.00 0.00 H new ATOM 1690 N PHE A 111 3.793 14.328 3.546 1.00 0.00 N ATOM 1691 CA PHE A 111 3.712 13.685 4.864 1.00 0.00 C ATOM 1692 C PHE A 111 5.079 13.117 5.262 1.00 0.00 C ATOM 1693 O PHE A 111 5.922 12.869 4.395 1.00 0.00 O ATOM 1694 CB PHE A 111 2.667 12.553 4.824 1.00 0.00 C ATOM 1695 CG PHE A 111 1.355 12.908 4.145 1.00 0.00 C ATOM 1696 CD1 PHE A 111 1.261 12.805 2.744 1.00 0.00 C ATOM 1697 CD2 PHE A 111 0.229 13.311 4.888 1.00 0.00 C ATOM 1698 CE1 PHE A 111 0.065 13.121 2.087 1.00 0.00 C ATOM 1699 CE2 PHE A 111 -0.975 13.621 4.228 1.00 0.00 C ATOM 1700 CZ PHE A 111 -1.056 13.524 2.827 1.00 0.00 C ATOM 0 H PHE A 111 3.855 13.648 2.788 1.00 0.00 H new ATOM 0 HA PHE A 111 3.413 14.428 5.603 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.103 11.696 4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.455 12.239 5.846 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.117 12.480 2.172 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.289 13.382 5.964 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.006 13.054 1.011 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.838 13.934 4.798 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.981 13.760 2.322 1.00 0.00 H new ATOM 1710 N TYR A 112 5.304 12.876 6.556 1.00 0.00 N ATOM 1711 CA TYR A 112 6.558 12.297 7.042 1.00 0.00 C ATOM 1712 C TYR A 112 6.675 10.828 6.611 1.00 0.00 C ATOM 1713 O TYR A 112 5.937 9.959 7.085 1.00 0.00 O ATOM 1714 CB TYR A 112 6.687 12.477 8.563 1.00 0.00 C ATOM 1715 CG TYR A 112 7.715 13.513 8.974 1.00 0.00 C ATOM 1716 CD1 TYR A 112 7.498 14.876 8.693 1.00 0.00 C ATOM 1717 CD2 TYR A 112 8.895 13.107 9.629 1.00 0.00 C ATOM 1718 CE1 TYR A 112 8.457 15.837 9.071 1.00 0.00 C ATOM 1719 CE2 TYR A 112 9.853 14.064 10.013 1.00 0.00 C ATOM 1720 CZ TYR A 112 9.638 15.432 9.735 1.00 0.00 C ATOM 1721 OH TYR A 112 10.571 16.351 10.110 1.00 0.00 O ATOM 0 H TYR A 112 4.626 13.075 7.292 1.00 0.00 H new ATOM 0 HA TYR A 112 7.394 12.830 6.589 1.00 0.00 H new ATOM 0 HB2 TYR A 112 5.716 12.762 8.969 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.951 11.519 9.011 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.595 15.185 8.187 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.064 12.061 9.836 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.290 16.882 8.854 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.754 13.752 10.521 1.00 0.00 H new ATOM 0 HH TYR A 112 11.317 15.897 10.555 1.00 0.00 H new ATOM 1731 N LEU A 113 7.591 10.564 5.680 1.00 0.00 N ATOM 1732 CA LEU A 113 7.859 9.245 5.109 1.00 0.00 C ATOM 1733 C LEU A 113 9.106 8.611 5.737 1.00 0.00 C ATOM 1734 O LEU A 113 10.201 9.180 5.720 1.00 0.00 O ATOM 1735 CB LEU A 113 7.963 9.366 3.577 1.00 0.00 C ATOM 1736 CG LEU A 113 6.777 8.762 2.805 1.00 0.00 C ATOM 1737 CD1 LEU A 113 6.759 7.239 2.906 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.410 9.305 3.221 1.00 0.00 C ATOM 0 H LEU A 113 8.190 11.291 5.288 1.00 0.00 H new ATOM 0 HA LEU A 113 7.033 8.573 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.052 10.420 3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.880 8.877 3.248 1.00 0.00 H new ATOM 0 HG LEU A 113 6.943 9.069 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.908 6.847 2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.682 6.836 2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.674 6.945 3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.632 8.826 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.241 9.095 4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.381 10.382 3.056 1.00 0.00 H new ATOM 1750 N SER A 114 8.924 7.420 6.302 1.00 0.00 N ATOM 1751 CA SER A 114 9.926 6.685 7.071 1.00 0.00 C ATOM 1752 C SER A 114 10.098 5.269 6.520 1.00 0.00 C ATOM 1753 O SER A 114 9.367 4.341 6.862 1.00 0.00 O ATOM 1754 CB SER A 114 9.548 6.714 8.555 1.00 0.00 C ATOM 1755 OG SER A 114 10.447 5.923 9.318 1.00 0.00 O ATOM 0 H SER A 114 8.038 6.920 6.234 1.00 0.00 H new ATOM 0 HA SER A 114 10.900 7.165 6.973 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.561 7.741 8.919 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.531 6.344 8.684 1.00 0.00 H new ATOM 0 HG SER A 114 9.980 5.558 10.099 1.00 0.00 H new ATOM 1761 N ASP A 115 11.067 5.102 5.625 1.00 0.00 N ATOM 1762 CA ASP A 115 11.460 3.789 5.108 1.00 0.00 C ATOM 1763 C ASP A 115 12.533 3.155 6.016 1.00 0.00 C ATOM 1764 O ASP A 115 13.217 3.840 6.778 1.00 0.00 O ATOM 1765 CB ASP A 115 12.022 3.932 3.682 1.00 0.00 C ATOM 1766 CG ASP A 115 10.993 4.283 2.589 1.00 0.00 C ATOM 1767 OD1 ASP A 115 10.077 5.100 2.823 1.00 0.00 O ATOM 1768 OD2 ASP A 115 11.153 3.771 1.452 1.00 0.00 O ATOM 0 H ASP A 115 11.606 5.875 5.234 1.00 0.00 H new ATOM 0 HA ASP A 115 10.579 3.147 5.091 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.792 4.703 3.691 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.510 2.997 3.408 1.00 0.00 H new ATOM 1773 N CYS A 116 12.743 1.845 5.880 1.00 0.00 N ATOM 1774 CA CYS A 116 13.977 1.181 6.302 1.00 0.00 C ATOM 1775 C CYS A 116 14.206 -0.040 5.415 1.00 0.00 C ATOM 1776 O CYS A 116 13.248 -0.743 5.104 1.00 0.00 O ATOM 1777 CB CYS A 116 13.897 0.792 7.786 1.00 0.00 C ATOM 1778 SG CYS A 116 14.922 1.852 8.846 1.00 0.00 S ATOM 0 H CYS A 116 12.057 1.211 5.471 1.00 0.00 H new ATOM 0 HA CYS A 116 14.822 1.861 6.193 1.00 0.00 H new ATOM 0 HB2 CYS A 116 12.860 0.849 8.117 1.00 0.00 H new ATOM 0 HB3 CYS A 116 14.212 -0.245 7.903 1.00 0.00 H new ATOM 1783 N ASN A 117 15.451 -0.285 5.000 1.00 0.00 N ATOM 1784 CA ASN A 117 15.833 -1.361 4.078 1.00 0.00 C ATOM 1785 C ASN A 117 16.949 -2.195 4.710 1.00 0.00 C ATOM 1786 O ASN A 117 17.888 -1.627 5.265 1.00 0.00 O ATOM 1787 CB ASN A 117 16.293 -0.757 2.736 1.00 0.00 C ATOM 1788 CG ASN A 117 15.174 -0.278 1.831 1.00 0.00 C ATOM 1789 OD1 ASN A 117 14.854 -0.898 0.830 1.00 0.00 O ATOM 1790 ND2 ASN A 117 14.574 0.855 2.117 1.00 0.00 N ATOM 0 H ASN A 117 16.246 0.276 5.305 1.00 0.00 H new ATOM 0 HA ASN A 117 14.977 -2.008 3.887 1.00 0.00 H new ATOM 0 HB2 ASN A 117 16.958 0.082 2.941 1.00 0.00 H new ATOM 0 HB3 ASN A 117 16.879 -1.504 2.200 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.843 1.214 1.503 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.839 1.376 2.953 1.00 0.00 H new ATOM 1797 N VAL A 118 16.853 -3.523 4.650 1.00 0.00 N ATOM 1798 CA VAL A 118 17.842 -4.442 5.253 1.00 0.00 C ATOM 1799 C VAL A 118 19.244 -4.252 4.646 1.00 0.00 C ATOM 1800 O VAL A 118 19.397 -3.907 3.471 1.00 0.00 O ATOM 1801 CB VAL A 118 17.346 -5.900 5.129 1.00 0.00 C ATOM 1802 CG1 VAL A 118 18.408 -6.983 5.374 1.00 0.00 C ATOM 1803 CG2 VAL A 118 16.225 -6.166 6.135 1.00 0.00 C ATOM 0 H VAL A 118 16.085 -4.003 4.181 1.00 0.00 H new ATOM 0 HA VAL A 118 17.937 -4.203 6.312 1.00 0.00 H new ATOM 0 HB VAL A 118 17.023 -5.975 4.091 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.955 -7.968 5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 118 19.216 -6.871 4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.807 -6.879 6.383 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.885 -7.197 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 118 16.597 -6.002 7.146 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.393 -5.489 5.940 1.00 0.00 H new ATOM 1813 N THR A 119 20.282 -4.512 5.446 1.00 0.00 N ATOM 1814 CA THR A 119 21.693 -4.560 5.020 1.00 0.00 C ATOM 1815 C THR A 119 22.400 -5.792 5.602 1.00 0.00 C ATOM 1816 O THR A 119 22.639 -5.896 6.807 1.00 0.00 O ATOM 1817 CB THR A 119 22.429 -3.230 5.289 1.00 0.00 C ATOM 1818 OG1 THR A 119 23.803 -3.333 4.975 1.00 0.00 O ATOM 1819 CG2 THR A 119 22.311 -2.684 6.711 1.00 0.00 C ATOM 0 H THR A 119 20.165 -4.702 6.441 1.00 0.00 H new ATOM 0 HA THR A 119 21.718 -4.678 3.937 1.00 0.00 H new ATOM 0 HB THR A 119 21.917 -2.524 4.635 1.00 0.00 H new ATOM 0 HG1 THR A 119 24.244 -2.476 5.153 1.00 0.00 H new ATOM 0 HG21 THR A 119 22.865 -1.748 6.789 1.00 0.00 H new ATOM 0 HG22 THR A 119 21.262 -2.505 6.946 1.00 0.00 H new ATOM 0 HG23 THR A 119 22.722 -3.408 7.414 1.00 0.00 H new ATOM 1827 N SER A 120 22.657 -6.777 4.729 1.00 0.00 N ATOM 1828 CA SER A 120 23.327 -8.060 5.031 1.00 0.00 C ATOM 1829 C SER A 120 24.799 -7.877 5.436 1.00 0.00 C ATOM 1830 O SER A 120 25.551 -7.200 4.697 1.00 0.00 O ATOM 1831 CB SER A 120 23.200 -8.993 3.823 1.00 0.00 C ATOM 1832 OG SER A 120 23.490 -10.328 4.207 1.00 0.00 O ATOM 1833 OXT SER A 120 25.204 -8.431 6.484 1.00 0.00 O ATOM 0 H SER A 120 22.393 -6.702 3.747 1.00 0.00 H new ATOM 0 HA SER A 120 22.830 -8.506 5.892 1.00 0.00 H new ATOM 0 HB2 SER A 120 22.192 -8.935 3.413 1.00 0.00 H new ATOM 0 HB3 SER A 120 23.883 -8.676 3.035 1.00 0.00 H new ATOM 0 HG SER A 120 23.405 -10.918 3.429 1.00 0.00 H new