USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 742 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 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0513 USER MOD Single : A 9 SER OG : rot 180:sc= -0.884 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -1.93 USER MOD Single : A 18 SER OG : rot 71:sc= -0.663 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0257 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -132:sc= -0.0523 (180deg=-0.769) USER MOD Single : A 33 HIS : no HD1:sc= -0.125 X(o=-0.13,f=-0.13) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0853 USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -22:sc= 0.82 USER MOD Single : A 58 ASN : amide:sc= -1.33! C(o=-1.3!,f=-2.7!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.073 USER MOD Single : A 66 LYS NZ :NH3+ -142:sc= 0.238 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -40:sc= 0.532 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN :FLIP amide:sc= -1.27 F(o=-3.5!,f=-1.3) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 96 TYR OH : rot 180:sc= -0.0187 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -19.898 -2.178 -1.180 1.00 0.00 N ATOM 60 CA GLY A 7 -20.645 -1.350 -0.252 1.00 0.00 C ATOM 61 C GLY A 7 -19.860 -0.136 0.204 1.00 0.00 C ATOM 62 O GLY A 7 -20.318 0.998 0.063 1.00 0.00 O ATOM 0 HA2 GLY A 7 -21.571 -1.023 -0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.925 -1.945 0.617 1.00 0.00 H new ATOM 66 N THR A 8 -18.673 -0.373 0.754 1.00 0.00 N ATOM 67 CA THR A 8 -17.824 0.710 1.235 1.00 0.00 C ATOM 68 C THR A 8 -16.859 1.174 0.150 1.00 0.00 C ATOM 69 O THR A 8 -16.458 0.394 -0.714 1.00 0.00 O ATOM 70 CB THR A 8 -17.017 0.282 2.475 1.00 0.00 C ATOM 71 OG1 THR A 8 -16.739 -1.121 2.419 1.00 0.00 O ATOM 72 CG2 THR A 8 -17.778 0.602 3.753 1.00 0.00 C ATOM 0 H THR A 8 -18.278 -1.305 0.877 1.00 0.00 H new ATOM 0 HA THR A 8 -18.484 1.533 1.507 1.00 0.00 H new ATOM 0 HB THR A 8 -16.079 0.838 2.480 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.224 -1.384 3.210 1.00 0.00 H new ATOM 0 HG21 THR A 8 -17.188 0.291 4.615 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.962 1.675 3.808 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.729 0.070 3.753 1.00 0.00 H new ATOM 80 N SER A 9 -16.488 2.450 0.201 1.00 0.00 N ATOM 81 CA SER A 9 -15.571 3.019 -0.779 1.00 0.00 C ATOM 82 C SER A 9 -14.129 2.636 -0.461 1.00 0.00 C ATOM 83 O SER A 9 -13.749 2.450 0.695 1.00 0.00 O ATOM 84 CB SER A 9 -15.710 4.542 -0.815 1.00 0.00 C ATOM 85 OG SER A 9 -14.563 5.146 -1.387 1.00 0.00 O ATOM 0 H SER A 9 -16.809 3.109 0.911 1.00 0.00 H new ATOM 0 HA SER A 9 -15.828 2.615 -1.758 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.594 4.816 -1.391 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.858 4.921 0.196 1.00 0.00 H new ATOM 0 HG SER A 9 -14.678 6.119 -1.400 1.00 0.00 H new ATOM 91 N PRO A 10 -13.304 2.515 -1.512 1.00 0.00 N ATOM 92 CA PRO A 10 -11.890 2.154 -1.372 1.00 0.00 C ATOM 93 C PRO A 10 -11.068 3.267 -0.731 1.00 0.00 C ATOM 94 O PRO A 10 -11.531 4.396 -0.565 1.00 0.00 O ATOM 95 CB PRO A 10 -11.439 1.919 -2.815 1.00 0.00 C ATOM 96 CG PRO A 10 -12.369 2.739 -3.641 1.00 0.00 C ATOM 97 CD PRO A 10 -13.688 2.722 -2.919 1.00 0.00 C ATOM 0 HA PRO A 10 -11.753 1.290 -0.722 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.404 2.227 -2.961 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.499 0.864 -3.082 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.998 3.758 -3.752 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.468 2.325 -4.644 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.232 3.657 -3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.334 1.922 -3.281 1.00 0.00 H new ATOM 105 N PRO A 11 -9.820 2.944 -0.361 1.00 0.00 N ATOM 106 CA PRO A 11 -8.907 3.904 0.267 1.00 0.00 C ATOM 107 C PRO A 11 -8.445 4.985 -0.704 1.00 0.00 C ATOM 108 O PRO A 11 -7.989 4.688 -1.809 1.00 0.00 O ATOM 109 CB PRO A 11 -7.724 3.035 0.703 1.00 0.00 C ATOM 110 CG PRO A 11 -7.753 1.866 -0.219 1.00 0.00 C ATOM 111 CD PRO A 11 -9.203 1.617 -0.528 1.00 0.00 C ATOM 0 HA PRO A 11 -9.382 4.443 1.086 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.783 3.579 0.623 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.824 2.722 1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.190 2.073 -1.129 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.297 0.991 0.245 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.338 1.235 -1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.638 0.883 0.150 1.00 0.00 H new ATOM 119 N THR A 12 -8.565 6.241 -0.285 1.00 0.00 N ATOM 120 CA THR A 12 -8.160 7.366 -1.118 1.00 0.00 C ATOM 121 C THR A 12 -6.957 8.087 -0.521 1.00 0.00 C ATOM 122 O THR A 12 -6.429 7.682 0.515 1.00 0.00 O ATOM 123 CB THR A 12 -9.311 8.374 -1.298 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.797 8.797 -0.019 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.448 7.760 -2.101 1.00 0.00 C ATOM 0 H THR A 12 -8.939 6.504 0.626 1.00 0.00 H new ATOM 0 HA THR A 12 -7.889 6.957 -2.091 1.00 0.00 H new ATOM 0 HB THR A 12 -8.927 9.236 -1.843 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.527 9.439 -0.142 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.249 8.491 -2.215 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.082 7.467 -3.085 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.829 6.882 -1.579 1.00 0.00 H new ATOM 133 N LEU A 13 -6.528 9.158 -1.180 1.00 0.00 N ATOM 134 CA LEU A 13 -5.386 9.937 -0.714 1.00 0.00 C ATOM 135 C LEU A 13 -4.156 9.052 -0.545 1.00 0.00 C ATOM 136 O LEU A 13 -3.486 9.091 0.488 1.00 0.00 O ATOM 137 CB LEU A 13 -5.720 10.624 0.611 1.00 0.00 C ATOM 138 CG LEU A 13 -6.699 11.796 0.532 1.00 0.00 C ATOM 139 CD1 LEU A 13 -7.093 12.258 1.926 1.00 0.00 C ATOM 140 CD2 LEU A 13 -6.093 12.944 -0.262 1.00 0.00 C ATOM 0 H LEU A 13 -6.954 9.507 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.164 10.696 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.132 9.878 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.791 10.982 1.056 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.598 11.459 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.790 13.093 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.569 11.436 2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.203 12.577 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.803 13.769 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.178 13.280 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.863 12.606 -1.273 1.00 0.00 H new ATOM 152 N LEU A 14 -3.862 8.255 -1.567 1.00 0.00 N ATOM 153 CA LEU A 14 -2.709 7.362 -1.533 1.00 0.00 C ATOM 154 C LEU A 14 -1.430 8.109 -1.894 1.00 0.00 C ATOM 155 O LEU A 14 -1.225 8.495 -3.045 1.00 0.00 O ATOM 156 CB LEU A 14 -2.918 6.192 -2.496 1.00 0.00 C ATOM 157 CG LEU A 14 -1.933 5.030 -2.365 1.00 0.00 C ATOM 158 CD1 LEU A 14 -0.727 5.248 -3.266 1.00 0.00 C ATOM 159 CD2 LEU A 14 -1.496 4.862 -0.917 1.00 0.00 C ATOM 0 H LEU A 14 -4.406 8.209 -2.429 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.609 6.977 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.927 5.805 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.866 6.573 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.436 4.116 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.037 4.411 -3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.055 5.318 -4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.223 6.172 -2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.795 4.030 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.012 5.777 -0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.368 4.658 -0.295 1.00 0.00 H new ATOM 171 N THR A 15 -0.568 8.310 -0.901 1.00 0.00 N ATOM 172 CA THR A 15 0.693 9.010 -1.113 1.00 0.00 C ATOM 173 C THR A 15 1.852 8.265 -0.460 1.00 0.00 C ATOM 174 O THR A 15 1.653 7.471 0.459 1.00 0.00 O ATOM 175 CB THR A 15 0.639 10.444 -0.554 1.00 0.00 C ATOM 176 OG1 THR A 15 0.525 10.411 0.873 1.00 0.00 O ATOM 177 CG2 THR A 15 -0.535 11.211 -1.144 1.00 0.00 C ATOM 0 H THR A 15 -0.721 7.998 0.058 1.00 0.00 H new ATOM 0 HA THR A 15 0.854 9.053 -2.190 1.00 0.00 H new ATOM 0 HB THR A 15 1.562 10.953 -0.832 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.493 11.327 1.220 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.553 12.221 -0.734 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.429 11.261 -2.228 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.465 10.702 -0.893 1.00 0.00 H new ATOM 185 N VAL A 16 3.063 8.528 -0.940 1.00 0.00 N ATOM 186 CA VAL A 16 4.255 7.883 -0.401 1.00 0.00 C ATOM 187 C VAL A 16 4.915 8.751 0.664 1.00 0.00 C ATOM 188 O VAL A 16 5.847 9.502 0.378 1.00 0.00 O ATOM 189 CB VAL A 16 5.280 7.583 -1.511 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.421 6.735 -0.968 1.00 0.00 C ATOM 191 CG2 VAL A 16 4.606 6.895 -2.687 1.00 0.00 C ATOM 0 H VAL A 16 3.245 9.183 -1.701 1.00 0.00 H new ATOM 0 HA VAL A 16 3.932 6.944 0.049 1.00 0.00 H new ATOM 0 HB VAL A 16 5.696 8.527 -1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.136 6.533 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.920 7.271 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.025 5.793 -0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.345 6.691 -3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.161 5.957 -2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.828 7.543 -3.090 1.00 0.00 H new ATOM 201 N ASP A 17 4.425 8.642 1.894 1.00 0.00 N ATOM 202 CA ASP A 17 4.968 9.416 3.005 1.00 0.00 C ATOM 203 C ASP A 17 6.479 9.575 2.869 1.00 0.00 C ATOM 204 O ASP A 17 6.991 10.691 2.781 1.00 0.00 O ATOM 205 CB ASP A 17 4.631 8.743 4.336 1.00 0.00 C ATOM 206 CG ASP A 17 4.866 9.657 5.523 1.00 0.00 C ATOM 207 OD1 ASP A 17 4.172 10.690 5.622 1.00 0.00 O ATOM 208 OD2 ASP A 17 5.745 9.341 6.351 1.00 0.00 O ATOM 0 H ASP A 17 3.653 8.025 2.147 1.00 0.00 H new ATOM 0 HA ASP A 17 4.513 10.406 2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.588 8.426 4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.236 7.843 4.448 1.00 0.00 H new ATOM 213 N SER A 18 7.188 8.450 2.853 1.00 0.00 N ATOM 214 CA SER A 18 8.641 8.465 2.733 1.00 0.00 C ATOM 215 C SER A 18 9.155 7.131 2.200 1.00 0.00 C ATOM 216 O SER A 18 8.382 6.200 1.972 1.00 0.00 O ATOM 217 CB SER A 18 9.283 8.767 4.088 1.00 0.00 C ATOM 218 OG SER A 18 10.684 8.559 4.047 1.00 0.00 O ATOM 0 H SER A 18 6.780 7.518 2.922 1.00 0.00 H new ATOM 0 HA SER A 18 8.915 9.249 2.027 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.074 9.799 4.371 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.840 8.130 4.854 1.00 0.00 H new ATOM 0 HG SER A 18 11.103 9.261 3.507 1.00 0.00 H new ATOM 224 N VAL A 19 10.467 7.045 2.004 1.00 0.00 N ATOM 225 CA VAL A 19 11.087 5.825 1.499 1.00 0.00 C ATOM 226 C VAL A 19 12.578 5.795 1.815 1.00 0.00 C ATOM 227 O VAL A 19 13.235 6.835 1.864 1.00 0.00 O ATOM 228 CB VAL A 19 10.892 5.686 -0.023 1.00 0.00 C ATOM 229 CG1 VAL A 19 11.812 4.611 -0.582 1.00 0.00 C ATOM 230 CG2 VAL A 19 9.439 5.378 -0.348 1.00 0.00 C ATOM 0 H VAL A 19 11.121 7.806 2.187 1.00 0.00 H new ATOM 0 HA VAL A 19 10.597 4.990 1.999 1.00 0.00 H new ATOM 0 HB VAL A 19 11.152 6.634 -0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.661 4.526 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.849 4.879 -0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.586 3.656 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.320 5.283 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.149 4.444 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.805 6.186 0.017 1.00 0.00 H new ATOM 240 N THR A 20 13.107 4.594 2.029 1.00 0.00 N ATOM 241 CA THR A 20 14.521 4.427 2.341 1.00 0.00 C ATOM 242 C THR A 20 15.139 3.309 1.509 1.00 0.00 C ATOM 243 O THR A 20 14.435 2.428 1.015 1.00 0.00 O ATOM 244 CB THR A 20 14.734 4.119 3.835 1.00 0.00 C ATOM 245 OG1 THR A 20 13.700 4.731 4.614 1.00 0.00 O ATOM 246 CG2 THR A 20 16.092 4.620 4.302 1.00 0.00 C ATOM 0 H THR A 20 12.577 3.723 1.992 1.00 0.00 H new ATOM 0 HA THR A 20 15.012 5.370 2.099 1.00 0.00 H new ATOM 0 HB THR A 20 14.697 3.038 3.969 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.842 4.529 5.562 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.220 4.391 5.360 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.878 4.130 3.727 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.153 5.698 4.154 1.00 0.00 H new ATOM 254 N ASP A 21 16.459 3.350 1.359 1.00 0.00 N ATOM 255 CA ASP A 21 17.172 2.339 0.588 1.00 0.00 C ATOM 256 C ASP A 21 16.953 0.950 1.180 1.00 0.00 C ATOM 257 O ASP A 21 17.230 -0.063 0.536 1.00 0.00 O ATOM 258 CB ASP A 21 18.667 2.659 0.547 1.00 0.00 C ATOM 259 CG ASP A 21 19.030 3.584 -0.597 1.00 0.00 C ATOM 260 OD1 ASP A 21 18.575 3.330 -1.732 1.00 0.00 O ATOM 261 OD2 ASP A 21 19.769 4.563 -0.359 1.00 0.00 O ATOM 0 H ASP A 21 17.056 4.073 1.761 1.00 0.00 H new ATOM 0 HA ASP A 21 16.778 2.348 -0.428 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.963 3.119 1.490 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.232 1.731 0.453 1.00 0.00 H new ATOM 266 N THR A 22 16.454 0.909 2.412 1.00 0.00 N ATOM 267 CA THR A 22 16.200 -0.355 3.092 1.00 0.00 C ATOM 268 C THR A 22 14.729 -0.745 2.995 1.00 0.00 C ATOM 269 O THR A 22 14.396 -1.850 2.567 1.00 0.00 O ATOM 270 CB THR A 22 16.604 -0.285 4.577 1.00 0.00 C ATOM 271 OG1 THR A 22 16.013 0.864 5.192 1.00 0.00 O ATOM 272 CG2 THR A 22 18.117 -0.223 4.723 1.00 0.00 C ATOM 0 H THR A 22 16.218 1.737 2.959 1.00 0.00 H new ATOM 0 HA THR A 22 16.807 -1.110 2.593 1.00 0.00 H new ATOM 0 HB THR A 22 16.243 -1.187 5.072 1.00 0.00 H new ATOM 0 HG1 THR A 22 16.273 0.900 6.136 1.00 0.00 H new ATOM 0 HG21 THR A 22 18.379 -0.174 5.780 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.562 -1.114 4.280 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.496 0.663 4.214 1.00 0.00 H new ATOM 280 N THR A 23 13.851 0.170 3.396 1.00 0.00 N ATOM 281 CA THR A 23 12.416 -0.079 3.355 1.00 0.00 C ATOM 282 C THR A 23 11.657 1.158 2.887 1.00 0.00 C ATOM 283 O THR A 23 12.191 2.267 2.897 1.00 0.00 O ATOM 284 CB THR A 23 11.880 -0.505 4.735 1.00 0.00 C ATOM 285 OG1 THR A 23 11.805 0.631 5.603 1.00 0.00 O ATOM 286 CG2 THR A 23 12.773 -1.568 5.357 1.00 0.00 C ATOM 0 H THR A 23 14.109 1.090 3.753 1.00 0.00 H new ATOM 0 HA THR A 23 12.256 -0.891 2.645 1.00 0.00 H new ATOM 0 HB THR A 23 10.883 -0.924 4.600 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.462 0.352 6.478 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.375 -1.853 6.331 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.804 -2.443 4.707 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.781 -1.171 5.479 1.00 0.00 H new ATOM 294 N VAL A 24 10.408 0.960 2.479 1.00 0.00 N ATOM 295 CA VAL A 24 9.574 2.060 2.009 1.00 0.00 C ATOM 296 C VAL A 24 8.434 2.339 2.981 1.00 0.00 C ATOM 297 O VAL A 24 8.118 1.515 3.840 1.00 0.00 O ATOM 298 CB VAL A 24 8.986 1.764 0.616 1.00 0.00 C ATOM 299 CG1 VAL A 24 10.096 1.627 -0.414 1.00 0.00 C ATOM 300 CG2 VAL A 24 8.128 0.508 0.657 1.00 0.00 C ATOM 0 H VAL A 24 9.951 0.048 2.464 1.00 0.00 H new ATOM 0 HA VAL A 24 10.216 2.939 1.945 1.00 0.00 H new ATOM 0 HB VAL A 24 8.352 2.601 0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.661 1.418 -1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.665 2.555 -0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.758 0.809 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.720 0.313 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.738 -0.339 0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.310 0.649 1.364 1.00 0.00 H new ATOM 310 N THR A 25 7.816 3.508 2.841 1.00 0.00 N ATOM 311 CA THR A 25 6.710 3.898 3.707 1.00 0.00 C ATOM 312 C THR A 25 5.537 4.432 2.894 1.00 0.00 C ATOM 313 O THR A 25 5.701 5.326 2.064 1.00 0.00 O ATOM 314 CB THR A 25 7.145 4.969 4.725 1.00 0.00 C ATOM 315 OG1 THR A 25 8.312 4.530 5.429 1.00 0.00 O ATOM 316 CG2 THR A 25 6.027 5.258 5.716 1.00 0.00 C ATOM 0 H THR A 25 8.063 4.202 2.135 1.00 0.00 H new ATOM 0 HA THR A 25 6.398 3.002 4.244 1.00 0.00 H new ATOM 0 HB THR A 25 7.373 5.886 4.181 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.583 5.217 6.073 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.357 6.017 6.425 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.150 5.619 5.180 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.773 4.345 6.254 1.00 0.00 H new ATOM 324 N MET A 26 4.353 3.880 3.138 1.00 0.00 N ATOM 325 CA MET A 26 3.152 4.304 2.429 1.00 0.00 C ATOM 326 C MET A 26 2.144 4.927 3.390 1.00 0.00 C ATOM 327 O MET A 26 2.210 4.709 4.600 1.00 0.00 O ATOM 328 CB MET A 26 2.515 3.116 1.704 1.00 0.00 C ATOM 329 CG MET A 26 3.385 2.543 0.597 1.00 0.00 C ATOM 330 SD MET A 26 3.803 3.765 -0.661 1.00 0.00 S ATOM 331 CE MET A 26 2.197 4.054 -1.399 1.00 0.00 C ATOM 0 H MET A 26 4.200 3.138 3.821 1.00 0.00 H new ATOM 0 HA MET A 26 3.441 5.056 1.695 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.300 2.331 2.429 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.561 3.429 1.280 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.303 2.145 1.031 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.866 1.707 0.128 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.281 4.005 -2.485 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.496 3.293 -1.055 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.835 5.040 -1.107 1.00 0.00 H new ATOM 341 N ARG A 27 1.214 5.703 2.844 1.00 0.00 N ATOM 342 CA ARG A 27 0.194 6.358 3.654 1.00 0.00 C ATOM 343 C ARG A 27 -1.104 6.518 2.868 1.00 0.00 C ATOM 344 O ARG A 27 -1.090 6.624 1.642 1.00 0.00 O ATOM 345 CB ARG A 27 0.689 7.727 4.125 1.00 0.00 C ATOM 346 CG ARG A 27 0.435 8.844 3.126 1.00 0.00 C ATOM 347 CD ARG A 27 -0.914 9.505 3.360 1.00 0.00 C ATOM 348 NE ARG A 27 -0.873 10.455 4.468 1.00 0.00 N ATOM 349 CZ ARG A 27 -1.800 11.385 4.674 1.00 0.00 C ATOM 350 NH1 ARG A 27 -2.835 11.487 3.851 1.00 0.00 N ATOM 351 NH2 ARG A 27 -1.693 12.214 5.704 1.00 0.00 N ATOM 0 H ARG A 27 1.146 5.894 1.844 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.003 5.731 4.523 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.201 7.976 5.067 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.759 7.668 4.326 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.225 9.590 3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.474 8.443 2.113 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.228 10.020 2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.662 8.739 3.566 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.090 10.402 5.120 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.921 10.851 3.058 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.545 12.201 4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.899 12.138 6.339 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.405 12.927 5.861 1.00 0.00 H new ATOM 365 N TRP A 28 -2.223 6.535 3.583 1.00 0.00 N ATOM 366 CA TRP A 28 -3.531 6.681 2.952 1.00 0.00 C ATOM 367 C TRP A 28 -4.589 7.071 3.978 1.00 0.00 C ATOM 368 O TRP A 28 -4.324 7.090 5.180 1.00 0.00 O ATOM 369 CB TRP A 28 -3.932 5.380 2.256 1.00 0.00 C ATOM 370 CG TRP A 28 -4.106 4.229 3.201 1.00 0.00 C ATOM 371 CD1 TRP A 28 -5.192 3.971 3.987 1.00 0.00 C ATOM 372 CD2 TRP A 28 -3.163 3.183 3.459 1.00 0.00 C ATOM 373 NE1 TRP A 28 -4.981 2.827 4.719 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.744 2.325 4.413 1.00 0.00 C ATOM 375 CE3 TRP A 28 -1.885 2.887 2.977 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -3.090 1.193 4.892 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -1.237 1.763 3.453 1.00 0.00 C ATOM 378 CH2 TRP A 28 -1.840 0.927 4.402 1.00 0.00 C ATOM 0 H TRP A 28 -2.252 6.450 4.599 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.462 7.475 2.209 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.864 5.539 1.713 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.173 5.123 1.517 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.085 4.577 4.028 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.639 2.418 5.383 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.412 3.525 2.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.553 0.548 5.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.249 1.525 3.087 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.308 0.055 4.754 1.00 0.00 H new ATOM 389 N ARG A 29 -5.788 7.380 3.496 1.00 0.00 N ATOM 390 CA ARG A 29 -6.886 7.770 4.372 1.00 0.00 C ATOM 391 C ARG A 29 -8.095 6.862 4.167 1.00 0.00 C ATOM 392 O ARG A 29 -8.284 6.269 3.104 1.00 0.00 O ATOM 393 CB ARG A 29 -7.280 9.226 4.114 1.00 0.00 C ATOM 394 CG ARG A 29 -6.345 10.234 4.763 1.00 0.00 C ATOM 395 CD ARG A 29 -7.077 11.515 5.131 1.00 0.00 C ATOM 396 NE ARG A 29 -6.197 12.680 5.083 1.00 0.00 N ATOM 397 CZ ARG A 29 -6.420 13.798 5.766 1.00 0.00 C ATOM 398 NH1 ARG A 29 -7.488 13.901 6.545 1.00 0.00 N ATOM 399 NH2 ARG A 29 -5.573 14.815 5.670 1.00 0.00 N ATOM 0 H ARG A 29 -6.024 7.368 2.504 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.548 7.669 5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.301 9.403 3.039 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.292 9.391 4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.901 9.797 5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.526 10.464 4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.913 11.664 4.448 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.496 11.418 6.132 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.366 12.633 4.493 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.141 13.121 6.621 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.657 14.760 7.068 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.750 14.739 5.072 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.745 15.673 6.194 1.00 0.00 H new ATOM 413 N PRO A 30 -8.933 6.747 5.208 1.00 0.00 N ATOM 414 CA PRO A 30 -10.137 5.912 5.167 1.00 0.00 C ATOM 415 C PRO A 30 -11.207 6.484 4.243 1.00 0.00 C ATOM 416 O PRO A 30 -11.123 7.624 3.787 1.00 0.00 O ATOM 417 CB PRO A 30 -10.624 5.920 6.618 1.00 0.00 C ATOM 418 CG PRO A 30 -10.086 7.186 7.191 1.00 0.00 C ATOM 419 CD PRO A 30 -8.769 7.424 6.505 1.00 0.00 C ATOM 0 HA PRO A 30 -9.929 4.915 4.779 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.712 5.893 6.670 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.257 5.051 7.164 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.772 8.015 7.018 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.954 7.101 8.270 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.567 8.488 6.380 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.938 7.007 7.074 1.00 0.00 H new ATOM 427 N PRO A 31 -12.239 5.675 3.959 1.00 0.00 N ATOM 428 CA PRO A 31 -13.346 6.079 3.087 1.00 0.00 C ATOM 429 C PRO A 31 -14.230 7.143 3.729 1.00 0.00 C ATOM 430 O PRO A 31 -14.313 7.238 4.954 1.00 0.00 O ATOM 431 CB PRO A 31 -14.131 4.781 2.886 1.00 0.00 C ATOM 432 CG PRO A 31 -13.817 3.958 4.087 1.00 0.00 C ATOM 433 CD PRO A 31 -12.404 4.303 4.467 1.00 0.00 C ATOM 0 HA PRO A 31 -12.992 6.526 2.158 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.201 4.974 2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.830 4.274 1.969 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.506 4.179 4.903 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.914 2.895 3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.254 4.253 5.546 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.687 3.618 4.014 1.00 0.00 H new ATOM 441 N ASP A 32 -14.888 7.940 2.895 1.00 0.00 N ATOM 442 CA ASP A 32 -15.768 8.997 3.382 1.00 0.00 C ATOM 443 C ASP A 32 -16.562 8.526 4.597 1.00 0.00 C ATOM 444 O ASP A 32 -16.606 9.205 5.623 1.00 0.00 O ATOM 445 CB ASP A 32 -16.723 9.444 2.275 1.00 0.00 C ATOM 446 CG ASP A 32 -18.006 10.038 2.822 1.00 0.00 C ATOM 447 OD1 ASP A 32 -18.037 11.262 3.066 1.00 0.00 O ATOM 448 OD2 ASP A 32 -18.980 9.278 3.006 1.00 0.00 O ATOM 0 H ASP A 32 -14.829 7.875 1.879 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.149 9.843 3.681 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.225 10.181 1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.963 8.591 1.640 1.00 0.00 H new ATOM 453 N HIS A 33 -17.189 7.361 4.472 1.00 0.00 N ATOM 454 CA HIS A 33 -17.982 6.799 5.560 1.00 0.00 C ATOM 455 C HIS A 33 -18.233 5.311 5.337 1.00 0.00 C ATOM 456 O HIS A 33 -18.170 4.824 4.208 1.00 0.00 O ATOM 457 CB HIS A 33 -19.313 7.541 5.684 1.00 0.00 C ATOM 458 CG HIS A 33 -20.035 7.266 6.967 1.00 0.00 C ATOM 459 ND1 HIS A 33 -21.343 6.834 7.017 1.00 0.00 N ATOM 460 CD2 HIS A 33 -19.623 7.363 8.253 1.00 0.00 C ATOM 461 CE1 HIS A 33 -21.705 6.679 8.278 1.00 0.00 C ATOM 462 NE2 HIS A 33 -20.679 6.993 9.048 1.00 0.00 N ATOM 0 H HIS A 33 -17.164 6.788 3.629 1.00 0.00 H new ATOM 0 HA HIS A 33 -17.420 6.919 6.486 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.131 8.613 5.602 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -19.955 7.261 4.848 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -18.645 7.674 8.591 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -22.675 6.351 8.621 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -20.672 6.965 10.068 1.00 0.00 H new ATOM 471 N ILE A 34 -18.518 4.596 6.420 1.00 0.00 N ATOM 472 CA ILE A 34 -18.779 3.164 6.342 1.00 0.00 C ATOM 473 C ILE A 34 -20.273 2.872 6.428 1.00 0.00 C ATOM 474 O ILE A 34 -20.949 3.309 7.358 1.00 0.00 O ATOM 475 CB ILE A 34 -18.052 2.397 7.463 1.00 0.00 C ATOM 476 CG1 ILE A 34 -16.536 2.525 7.299 1.00 0.00 C ATOM 477 CG2 ILE A 34 -18.469 0.934 7.461 1.00 0.00 C ATOM 478 CD1 ILE A 34 -16.049 3.957 7.281 1.00 0.00 C ATOM 0 H ILE A 34 -18.574 4.985 7.361 1.00 0.00 H new ATOM 0 HA ILE A 34 -18.400 2.827 5.377 1.00 0.00 H new ATOM 0 HB ILE A 34 -18.333 2.833 8.422 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.044 1.993 8.113 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -16.236 2.036 6.372 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.947 0.406 8.259 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -19.545 0.862 7.622 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -18.215 0.485 6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.966 3.971 7.162 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -16.513 4.489 6.450 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -16.317 4.444 8.218 1.00 0.00 H new ATOM 517 N GLY A 38 -19.462 -3.335 7.097 1.00 0.00 N ATOM 518 CA GLY A 38 -18.502 -2.664 7.954 1.00 0.00 C ATOM 519 C GLY A 38 -17.147 -2.506 7.293 1.00 0.00 C ATOM 520 O GLY A 38 -17.035 -2.563 6.067 1.00 0.00 O ATOM 0 HA2 GLY A 38 -18.887 -1.681 8.226 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.388 -3.229 8.879 1.00 0.00 H new ATOM 524 N LEU A 39 -16.114 -2.306 8.104 1.00 0.00 N ATOM 525 CA LEU A 39 -14.759 -2.137 7.591 1.00 0.00 C ATOM 526 C LEU A 39 -13.771 -3.001 8.368 1.00 0.00 C ATOM 527 O LEU A 39 -13.681 -2.910 9.592 1.00 0.00 O ATOM 528 CB LEU A 39 -14.342 -0.667 7.670 1.00 0.00 C ATOM 529 CG LEU A 39 -12.839 -0.392 7.615 1.00 0.00 C ATOM 530 CD1 LEU A 39 -12.340 -0.442 6.179 1.00 0.00 C ATOM 531 CD2 LEU A 39 -12.519 0.955 8.246 1.00 0.00 C ATOM 0 H LEU A 39 -16.189 -2.257 9.120 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.749 -2.455 6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.820 -0.130 6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.734 -0.248 8.597 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.326 -1.168 8.184 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.268 -0.244 6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.534 -1.429 5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.859 0.312 5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.445 1.133 8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.043 1.744 7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.840 0.954 9.288 1.00 0.00 H new ATOM 543 N ASP A 40 -13.030 -3.836 7.648 1.00 0.00 N ATOM 544 CA ASP A 40 -12.045 -4.714 8.269 1.00 0.00 C ATOM 545 C ASP A 40 -10.627 -4.278 7.913 1.00 0.00 C ATOM 546 O ASP A 40 -10.098 -4.649 6.866 1.00 0.00 O ATOM 547 CB ASP A 40 -12.273 -6.161 7.831 1.00 0.00 C ATOM 548 CG ASP A 40 -13.652 -6.668 8.202 1.00 0.00 C ATOM 549 OD1 ASP A 40 -14.444 -5.880 8.761 1.00 0.00 O ATOM 550 OD2 ASP A 40 -13.941 -7.853 7.933 1.00 0.00 O ATOM 0 H ASP A 40 -13.093 -3.923 6.634 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.165 -4.647 9.350 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.140 -6.236 6.752 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.519 -6.800 8.290 1.00 0.00 H new ATOM 555 N GLY A 41 -10.018 -3.487 8.791 1.00 0.00 N ATOM 556 CA GLY A 41 -8.668 -3.013 8.550 1.00 0.00 C ATOM 557 C GLY A 41 -8.413 -2.707 7.087 1.00 0.00 C ATOM 558 O GLY A 41 -9.236 -2.075 6.426 1.00 0.00 O ATOM 0 H GLY A 41 -10.435 -3.166 9.665 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.490 -2.115 9.142 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.956 -3.765 8.890 1.00 0.00 H new ATOM 562 N TYR A 42 -7.269 -3.155 6.582 1.00 0.00 N ATOM 563 CA TYR A 42 -6.906 -2.922 5.189 1.00 0.00 C ATOM 564 C TYR A 42 -5.877 -3.944 4.716 1.00 0.00 C ATOM 565 O TYR A 42 -5.315 -4.692 5.516 1.00 0.00 O ATOM 566 CB TYR A 42 -6.353 -1.506 5.014 1.00 0.00 C ATOM 567 CG TYR A 42 -7.024 -0.481 5.900 1.00 0.00 C ATOM 568 CD1 TYR A 42 -6.574 -0.253 7.195 1.00 0.00 C ATOM 569 CD2 TYR A 42 -8.107 0.259 5.444 1.00 0.00 C ATOM 570 CE1 TYR A 42 -7.183 0.683 8.009 1.00 0.00 C ATOM 571 CE2 TYR A 42 -8.722 1.197 6.250 1.00 0.00 C ATOM 572 CZ TYR A 42 -8.257 1.405 7.531 1.00 0.00 C ATOM 573 OH TYR A 42 -8.867 2.338 8.338 1.00 0.00 O ATOM 0 H TYR A 42 -6.577 -3.681 7.116 1.00 0.00 H new ATOM 0 HA TYR A 42 -7.805 -3.031 4.583 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.284 -1.514 5.226 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.469 -1.206 3.973 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.734 -0.817 7.572 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.475 0.098 4.441 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.821 0.848 9.013 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.563 1.764 5.879 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.606 2.759 7.851 1.00 0.00 H new ATOM 583 N VAL A 43 -5.634 -3.968 3.409 1.00 0.00 N ATOM 584 CA VAL A 43 -4.671 -4.896 2.828 1.00 0.00 C ATOM 585 C VAL A 43 -3.751 -4.186 1.840 1.00 0.00 C ATOM 586 O VAL A 43 -4.213 -3.506 0.923 1.00 0.00 O ATOM 587 CB VAL A 43 -5.378 -6.060 2.108 1.00 0.00 C ATOM 588 CG1 VAL A 43 -4.361 -6.961 1.423 1.00 0.00 C ATOM 589 CG2 VAL A 43 -6.229 -6.853 3.088 1.00 0.00 C ATOM 0 H VAL A 43 -6.091 -3.356 2.733 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.078 -5.294 3.651 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.035 -5.646 1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.879 -7.777 0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.797 -6.383 0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.677 -7.369 2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.721 -7.671 2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.594 -7.257 3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.982 -6.199 3.528 1.00 0.00 H new ATOM 599 N LEU A 44 -2.447 -4.350 2.033 1.00 0.00 N ATOM 600 CA LEU A 44 -1.461 -3.725 1.159 1.00 0.00 C ATOM 601 C LEU A 44 -0.552 -4.774 0.526 1.00 0.00 C ATOM 602 O LEU A 44 -0.010 -5.637 1.216 1.00 0.00 O ATOM 603 CB LEU A 44 -0.622 -2.714 1.943 1.00 0.00 C ATOM 604 CG LEU A 44 0.246 -1.771 1.110 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.482 -0.466 1.853 1.00 0.00 C ATOM 606 CD2 LEU A 44 1.570 -2.434 0.759 1.00 0.00 C ATOM 0 H LEU A 44 -2.048 -4.910 2.786 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.995 -3.205 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.294 -2.112 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.026 -3.263 2.627 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.282 -1.547 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.102 0.192 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.474 0.018 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.988 -0.671 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.175 -1.748 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.103 -2.689 1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.382 -3.341 0.184 1.00 0.00 H new ATOM 618 N GLU A 45 -0.390 -4.692 -0.791 1.00 0.00 N ATOM 619 CA GLU A 45 0.454 -5.634 -1.516 1.00 0.00 C ATOM 620 C GLU A 45 1.358 -4.905 -2.506 1.00 0.00 C ATOM 621 O GLU A 45 1.030 -3.815 -2.977 1.00 0.00 O ATOM 622 CB GLU A 45 -0.407 -6.660 -2.256 1.00 0.00 C ATOM 623 CG GLU A 45 -1.254 -7.521 -1.334 1.00 0.00 C ATOM 624 CD GLU A 45 -2.338 -8.279 -2.076 1.00 0.00 C ATOM 625 OE1 GLU A 45 -2.819 -7.768 -3.109 1.00 0.00 O ATOM 626 OE2 GLU A 45 -2.705 -9.383 -1.622 1.00 0.00 O ATOM 0 H GLU A 45 -0.832 -3.984 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 45 1.081 -6.152 -0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.061 -6.137 -2.954 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.241 -7.306 -2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.611 -8.231 -0.813 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.713 -6.889 -0.573 1.00 0.00 H new ATOM 633 N TYR A 46 2.497 -5.513 -2.818 1.00 0.00 N ATOM 634 CA TYR A 46 3.450 -4.921 -3.749 1.00 0.00 C ATOM 635 C TYR A 46 3.941 -5.955 -4.757 1.00 0.00 C ATOM 636 O TYR A 46 4.234 -7.097 -4.400 1.00 0.00 O ATOM 637 CB TYR A 46 4.638 -4.330 -2.989 1.00 0.00 C ATOM 638 CG TYR A 46 5.578 -5.373 -2.428 1.00 0.00 C ATOM 639 CD1 TYR A 46 5.274 -6.051 -1.253 1.00 0.00 C ATOM 640 CD2 TYR A 46 6.769 -5.683 -3.073 1.00 0.00 C ATOM 641 CE1 TYR A 46 6.130 -7.004 -0.737 1.00 0.00 C ATOM 642 CE2 TYR A 46 7.630 -6.636 -2.565 1.00 0.00 C ATOM 643 CZ TYR A 46 7.307 -7.293 -1.397 1.00 0.00 C ATOM 644 OH TYR A 46 8.161 -8.244 -0.886 1.00 0.00 O ATOM 0 H TYR A 46 2.783 -6.416 -2.440 1.00 0.00 H new ATOM 0 HA TYR A 46 2.941 -4.124 -4.291 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.195 -3.673 -3.657 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.265 -3.712 -2.172 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.353 -5.829 -0.735 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.026 -5.170 -3.988 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.880 -7.520 0.178 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.551 -6.865 -3.080 1.00 0.00 H new ATOM 0 HH TYR A 46 8.943 -8.329 -1.470 1.00 0.00 H new ATOM 654 N CYS A 47 4.028 -5.547 -6.018 1.00 0.00 N ATOM 655 CA CYS A 47 4.483 -6.438 -7.080 1.00 0.00 C ATOM 656 C CYS A 47 5.882 -6.053 -7.550 1.00 0.00 C ATOM 657 O CYS A 47 6.169 -4.878 -7.781 1.00 0.00 O ATOM 658 CB CYS A 47 3.508 -6.401 -8.258 1.00 0.00 C ATOM 659 SG CYS A 47 4.083 -7.295 -9.721 1.00 0.00 S ATOM 0 H CYS A 47 3.790 -4.606 -6.330 1.00 0.00 H new ATOM 0 HA CYS A 47 4.520 -7.451 -6.680 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.554 -6.822 -7.940 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.323 -5.362 -8.530 1.00 0.00 H new ATOM 0 HG CYS A 47 3.190 -7.208 -10.662 1.00 0.00 H new ATOM 665 N PHE A 48 6.749 -7.050 -7.688 1.00 0.00 N ATOM 666 CA PHE A 48 8.120 -6.816 -8.128 1.00 0.00 C ATOM 667 C PHE A 48 8.227 -6.911 -9.647 1.00 0.00 C ATOM 668 O PHE A 48 7.503 -7.675 -10.284 1.00 0.00 O ATOM 669 CB PHE A 48 9.067 -7.824 -7.474 1.00 0.00 C ATOM 670 CG PHE A 48 10.445 -7.279 -7.227 1.00 0.00 C ATOM 671 CD1 PHE A 48 10.715 -6.533 -6.092 1.00 0.00 C ATOM 672 CD2 PHE A 48 11.469 -7.513 -8.130 1.00 0.00 C ATOM 673 CE1 PHE A 48 11.982 -6.030 -5.861 1.00 0.00 C ATOM 674 CE2 PHE A 48 12.738 -7.014 -7.905 1.00 0.00 C ATOM 675 CZ PHE A 48 12.994 -6.270 -6.769 1.00 0.00 C ATOM 0 H PHE A 48 6.527 -8.028 -7.502 1.00 0.00 H new ATOM 0 HA PHE A 48 8.406 -5.809 -7.824 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.639 -8.151 -6.526 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.142 -8.706 -8.111 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.927 -6.342 -5.379 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.273 -8.092 -9.020 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.180 -5.450 -4.972 1.00 0.00 H new ATOM 0 HE2 PHE A 48 13.528 -7.205 -8.616 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.984 -5.877 -6.592 1.00 0.00 H new ATOM 685 N GLU A 49 9.136 -6.128 -10.220 1.00 0.00 N ATOM 686 CA GLU A 49 9.338 -6.124 -11.665 1.00 0.00 C ATOM 687 C GLU A 49 9.740 -7.509 -12.163 1.00 0.00 C ATOM 688 O GLU A 49 10.609 -8.160 -11.584 1.00 0.00 O ATOM 689 CB GLU A 49 10.409 -5.100 -12.049 1.00 0.00 C ATOM 690 CG GLU A 49 11.780 -5.408 -11.472 1.00 0.00 C ATOM 691 CD GLU A 49 12.716 -4.217 -11.525 1.00 0.00 C ATOM 692 OE1 GLU A 49 13.185 -3.878 -12.632 1.00 0.00 O ATOM 693 OE2 GLU A 49 12.980 -3.623 -10.458 1.00 0.00 O ATOM 0 H GLU A 49 9.743 -5.489 -9.707 1.00 0.00 H new ATOM 0 HA GLU A 49 8.395 -5.848 -12.137 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.483 -5.055 -13.136 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.095 -4.113 -11.709 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.670 -5.733 -10.437 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.223 -6.238 -12.022 1.00 0.00 H new ATOM 700 N GLY A 50 9.101 -7.953 -13.241 1.00 0.00 N ATOM 701 CA GLY A 50 9.404 -9.258 -13.798 1.00 0.00 C ATOM 702 C GLY A 50 8.476 -10.339 -13.282 1.00 0.00 C ATOM 703 O GLY A 50 7.937 -11.129 -14.059 1.00 0.00 O ATOM 0 H GLY A 50 8.379 -7.432 -13.738 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.333 -9.211 -14.885 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.434 -9.522 -13.557 1.00 0.00 H new ATOM 707 N THR A 51 8.288 -10.378 -11.967 1.00 0.00 N ATOM 708 CA THR A 51 7.422 -11.372 -11.347 1.00 0.00 C ATOM 709 C THR A 51 5.952 -11.044 -11.584 1.00 0.00 C ATOM 710 O THR A 51 5.464 -9.998 -11.157 1.00 0.00 O ATOM 711 CB THR A 51 7.675 -11.472 -9.831 1.00 0.00 C ATOM 712 OG1 THR A 51 7.377 -10.222 -9.201 1.00 0.00 O ATOM 713 CG2 THR A 51 9.120 -11.857 -9.549 1.00 0.00 C ATOM 0 H THR A 51 8.725 -9.731 -11.310 1.00 0.00 H new ATOM 0 HA THR A 51 7.658 -12.330 -11.811 1.00 0.00 H new ATOM 0 HB THR A 51 7.023 -12.246 -9.426 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.423 -9.502 -9.864 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.276 -11.922 -8.472 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.335 -12.823 -10.005 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.786 -11.102 -9.967 1.00 0.00 H new ATOM 721 N GLU A 52 5.252 -11.945 -12.267 1.00 0.00 N ATOM 722 CA GLU A 52 3.837 -11.749 -12.560 1.00 0.00 C ATOM 723 C GLU A 52 2.972 -12.183 -11.380 1.00 0.00 C ATOM 724 O GLU A 52 1.895 -12.753 -11.562 1.00 0.00 O ATOM 725 CB GLU A 52 3.440 -12.532 -13.813 1.00 0.00 C ATOM 726 CG GLU A 52 3.458 -14.039 -13.620 1.00 0.00 C ATOM 727 CD GLU A 52 3.336 -14.796 -14.928 1.00 0.00 C ATOM 728 OE1 GLU A 52 4.142 -14.532 -15.844 1.00 0.00 O ATOM 729 OE2 GLU A 52 2.435 -15.654 -15.035 1.00 0.00 O ATOM 0 H GLU A 52 5.641 -12.816 -12.627 1.00 0.00 H new ATOM 0 HA GLU A 52 3.672 -10.686 -12.737 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.440 -12.226 -14.121 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.118 -12.270 -14.625 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.384 -14.327 -13.123 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.640 -14.327 -12.960 1.00 0.00 H new ATOM 736 N ASP A 53 3.451 -11.911 -10.171 1.00 0.00 N ATOM 737 CA ASP A 53 2.722 -12.273 -8.961 1.00 0.00 C ATOM 738 C ASP A 53 2.914 -11.218 -7.875 1.00 0.00 C ATOM 739 O ASP A 53 4.018 -10.710 -7.679 1.00 0.00 O ATOM 740 CB ASP A 53 3.185 -13.638 -8.450 1.00 0.00 C ATOM 741 CG ASP A 53 2.207 -14.250 -7.465 1.00 0.00 C ATOM 742 OD1 ASP A 53 0.986 -14.077 -7.658 1.00 0.00 O ATOM 743 OD2 ASP A 53 2.664 -14.900 -6.501 1.00 0.00 O ATOM 0 H ASP A 53 4.341 -11.441 -10.003 1.00 0.00 H new ATOM 0 HA ASP A 53 1.662 -12.327 -9.208 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.316 -14.314 -9.295 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.159 -13.533 -7.972 1.00 0.00 H new ATOM 748 N TRP A 54 1.834 -10.894 -7.175 1.00 0.00 N ATOM 749 CA TRP A 54 1.883 -9.899 -6.110 1.00 0.00 C ATOM 750 C TRP A 54 2.376 -10.519 -4.807 1.00 0.00 C ATOM 751 O TRP A 54 1.951 -11.612 -4.430 1.00 0.00 O ATOM 752 CB TRP A 54 0.502 -9.275 -5.902 1.00 0.00 C ATOM 753 CG TRP A 54 0.101 -8.339 -7.001 1.00 0.00 C ATOM 754 CD1 TRP A 54 -0.544 -8.664 -8.160 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.321 -6.925 -7.045 1.00 0.00 C ATOM 756 NE1 TRP A 54 -0.738 -7.537 -8.922 1.00 0.00 N ATOM 757 CE2 TRP A 54 -0.218 -6.457 -8.260 1.00 0.00 C ATOM 758 CE3 TRP A 54 0.919 -6.008 -6.176 1.00 0.00 C ATOM 759 CZ2 TRP A 54 -0.174 -5.114 -8.625 1.00 0.00 C ATOM 760 CZ3 TRP A 54 0.961 -4.675 -6.540 1.00 0.00 C ATOM 761 CH2 TRP A 54 0.417 -4.238 -7.755 1.00 0.00 C ATOM 0 H TRP A 54 0.913 -11.306 -7.325 1.00 0.00 H new ATOM 0 HA TRP A 54 2.585 -9.120 -6.408 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.240 -10.070 -5.823 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.494 -8.736 -4.955 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.856 -9.660 -8.437 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.195 -7.509 -9.833 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.341 -6.335 -5.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.592 -4.775 -9.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.421 -3.958 -5.876 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.465 -3.190 -8.010 1.00 0.00 H new ATOM 772 N ILE A 55 3.274 -9.817 -4.125 1.00 0.00 N ATOM 773 CA ILE A 55 3.823 -10.299 -2.864 1.00 0.00 C ATOM 774 C ILE A 55 3.111 -9.662 -1.675 1.00 0.00 C ATOM 775 O ILE A 55 3.080 -8.439 -1.539 1.00 0.00 O ATOM 776 CB ILE A 55 5.332 -10.011 -2.759 1.00 0.00 C ATOM 777 CG1 ILE A 55 6.073 -10.621 -3.951 1.00 0.00 C ATOM 778 CG2 ILE A 55 5.886 -10.554 -1.450 1.00 0.00 C ATOM 779 CD1 ILE A 55 6.182 -9.687 -5.137 1.00 0.00 C ATOM 0 H ILE A 55 3.637 -8.912 -4.425 1.00 0.00 H new ATOM 0 HA ILE A 55 3.666 -11.377 -2.844 1.00 0.00 H new ATOM 0 HB ILE A 55 5.483 -8.932 -2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.075 -10.913 -3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.559 -11.531 -4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.954 -10.342 -1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.375 -10.078 -0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.727 -11.631 -1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.719 -10.185 -5.944 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.183 -9.415 -5.479 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.723 -8.787 -4.843 1.00 0.00 H new ATOM 791 N VAL A 56 2.542 -10.500 -0.814 1.00 0.00 N ATOM 792 CA VAL A 56 1.834 -10.019 0.366 1.00 0.00 C ATOM 793 C VAL A 56 2.803 -9.448 1.395 1.00 0.00 C ATOM 794 O VAL A 56 3.800 -10.081 1.741 1.00 0.00 O ATOM 795 CB VAL A 56 1.009 -11.142 1.022 1.00 0.00 C ATOM 796 CG1 VAL A 56 0.171 -10.592 2.166 1.00 0.00 C ATOM 797 CG2 VAL A 56 0.130 -11.830 -0.011 1.00 0.00 C ATOM 0 H VAL A 56 2.558 -11.515 -0.912 1.00 0.00 H new ATOM 0 HA VAL A 56 1.160 -9.231 0.030 1.00 0.00 H new ATOM 0 HB VAL A 56 1.697 -11.882 1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.405 -11.400 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.826 -10.150 2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.510 -9.831 1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.446 -12.621 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.551 -11.102 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.756 -12.261 -0.792 1.00 0.00 H new ATOM 807 N ALA A 57 2.503 -8.248 1.880 1.00 0.00 N ATOM 808 CA ALA A 57 3.347 -7.592 2.871 1.00 0.00 C ATOM 809 C ALA A 57 2.862 -7.887 4.286 1.00 0.00 C ATOM 810 O ALA A 57 3.645 -8.273 5.153 1.00 0.00 O ATOM 811 CB ALA A 57 3.381 -6.091 2.625 1.00 0.00 C ATOM 0 H ALA A 57 1.682 -7.710 1.603 1.00 0.00 H new ATOM 0 HA ALA A 57 4.357 -7.988 2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.015 -5.614 3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.782 -5.894 1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.371 -5.688 2.695 1.00 0.00 H new ATOM 817 N ASN A 58 1.565 -7.701 4.513 1.00 0.00 N ATOM 818 CA ASN A 58 0.976 -7.947 5.825 1.00 0.00 C ATOM 819 C ASN A 58 0.654 -9.427 6.008 1.00 0.00 C ATOM 820 O ASN A 58 0.646 -10.196 5.047 1.00 0.00 O ATOM 821 CB ASN A 58 -0.294 -7.111 6.001 1.00 0.00 C ATOM 822 CG ASN A 58 -1.511 -7.772 5.382 1.00 0.00 C ATOM 823 OD1 ASN A 58 -1.387 -8.660 4.538 1.00 0.00 O ATOM 824 ND2 ASN A 58 -2.695 -7.341 5.801 1.00 0.00 N ATOM 0 H ASN A 58 0.903 -7.381 3.806 1.00 0.00 H new ATOM 0 HA ASN A 58 1.703 -7.656 6.583 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.474 -6.947 7.064 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.146 -6.131 5.548 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.550 -7.748 5.421 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.750 -6.603 6.502 1.00 0.00 H new ATOM 831 N LYS A 59 0.389 -9.819 7.250 1.00 0.00 N ATOM 832 CA LYS A 59 0.064 -11.206 7.561 1.00 0.00 C ATOM 833 C LYS A 59 -1.442 -11.440 7.498 1.00 0.00 C ATOM 834 O LYS A 59 -1.907 -12.385 6.861 1.00 0.00 O ATOM 835 CB LYS A 59 0.590 -11.575 8.950 1.00 0.00 C ATOM 836 CG LYS A 59 0.005 -10.728 10.067 1.00 0.00 C ATOM 837 CD LYS A 59 0.904 -10.723 11.292 1.00 0.00 C ATOM 838 CE LYS A 59 1.901 -9.575 11.248 1.00 0.00 C ATOM 839 NZ LYS A 59 2.870 -9.638 12.377 1.00 0.00 N ATOM 0 H LYS A 59 0.393 -9.196 8.057 1.00 0.00 H new ATOM 0 HA LYS A 59 0.544 -11.841 6.816 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.368 -12.624 9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.675 -11.472 8.958 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.137 -9.706 9.714 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.979 -11.111 10.338 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.294 -10.642 12.192 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.440 -11.670 11.355 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.443 -9.601 10.303 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.365 -8.627 11.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.532 -8.839 12.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.355 -9.588 13.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.400 -10.531 12.330 1.00 0.00 H new ATOM 853 N ASP A 60 -2.199 -10.572 8.161 1.00 0.00 N ATOM 854 CA ASP A 60 -3.653 -10.683 8.178 1.00 0.00 C ATOM 855 C ASP A 60 -4.302 -9.382 7.716 1.00 0.00 C ATOM 856 O ASP A 60 -4.807 -9.291 6.596 1.00 0.00 O ATOM 857 CB ASP A 60 -4.142 -11.041 9.582 1.00 0.00 C ATOM 858 CG ASP A 60 -5.655 -11.076 9.677 1.00 0.00 C ATOM 859 OD1 ASP A 60 -6.295 -11.623 8.754 1.00 0.00 O ATOM 860 OD2 ASP A 60 -6.199 -10.558 10.674 1.00 0.00 O ATOM 0 H ASP A 60 -1.830 -9.784 8.693 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.941 -11.477 7.489 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.740 -12.014 9.866 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.753 -10.315 10.295 1.00 0.00 H new ATOM 865 N LEU A 61 -4.287 -8.378 8.586 1.00 0.00 N ATOM 866 CA LEU A 61 -4.875 -7.081 8.268 1.00 0.00 C ATOM 867 C LEU A 61 -3.981 -5.944 8.751 1.00 0.00 C ATOM 868 O LEU A 61 -2.981 -6.175 9.431 1.00 0.00 O ATOM 869 CB LEU A 61 -6.262 -6.959 8.901 1.00 0.00 C ATOM 870 CG LEU A 61 -7.363 -7.820 8.279 1.00 0.00 C ATOM 871 CD1 LEU A 61 -8.535 -7.961 9.237 1.00 0.00 C ATOM 872 CD2 LEU A 61 -7.821 -7.224 6.956 1.00 0.00 C ATOM 0 H LEU A 61 -3.874 -8.437 9.517 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.969 -7.008 7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.181 -7.216 9.957 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.572 -5.915 8.850 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.957 -8.813 8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.308 -8.577 8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.196 -8.433 10.159 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.942 -6.975 9.462 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.604 -7.849 6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.210 -6.220 7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.978 -7.176 6.267 1.00 0.00 H new ATOM 884 N ILE A 62 -4.349 -4.718 8.397 1.00 0.00 N ATOM 885 CA ILE A 62 -3.582 -3.545 8.798 1.00 0.00 C ATOM 886 C ILE A 62 -4.404 -2.633 9.703 1.00 0.00 C ATOM 887 O ILE A 62 -5.504 -2.213 9.343 1.00 0.00 O ATOM 888 CB ILE A 62 -3.104 -2.740 7.575 1.00 0.00 C ATOM 889 CG1 ILE A 62 -2.478 -3.673 6.536 1.00 0.00 C ATOM 890 CG2 ILE A 62 -2.110 -1.670 8.001 1.00 0.00 C ATOM 891 CD1 ILE A 62 -2.097 -2.975 5.249 1.00 0.00 C ATOM 0 H ILE A 62 -5.173 -4.511 7.833 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.713 -3.909 9.346 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.965 -2.249 7.122 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.590 -4.137 6.965 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.180 -4.476 6.310 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.781 -1.110 7.126 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.587 -0.991 8.708 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.249 -2.141 8.474 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.660 -3.697 4.559 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.986 -2.534 4.797 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.371 -2.190 5.462 1.00 0.00 H new ATOM 903 N ASP A 63 -3.862 -2.330 10.877 1.00 0.00 N ATOM 904 CA ASP A 63 -4.543 -1.465 11.833 1.00 0.00 C ATOM 905 C ASP A 63 -4.286 0.005 11.516 1.00 0.00 C ATOM 906 O ASP A 63 -5.220 0.776 11.296 1.00 0.00 O ATOM 907 CB ASP A 63 -4.083 -1.781 13.257 1.00 0.00 C ATOM 908 CG ASP A 63 -5.095 -1.351 14.301 1.00 0.00 C ATOM 909 OD1 ASP A 63 -6.308 -1.491 14.043 1.00 0.00 O ATOM 910 OD2 ASP A 63 -4.673 -0.875 15.376 1.00 0.00 O ATOM 0 H ASP A 63 -2.953 -2.671 11.190 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.614 -1.652 11.756 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.904 -2.852 13.349 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.133 -1.281 13.448 1.00 0.00 H new ATOM 915 N LYS A 64 -3.013 0.386 11.495 1.00 0.00 N ATOM 916 CA LYS A 64 -2.631 1.763 11.205 1.00 0.00 C ATOM 917 C LYS A 64 -2.916 2.111 9.747 1.00 0.00 C ATOM 918 O LYS A 64 -3.140 1.227 8.919 1.00 0.00 O ATOM 919 CB LYS A 64 -1.148 1.978 11.511 1.00 0.00 C ATOM 920 CG LYS A 64 -0.794 1.779 12.975 1.00 0.00 C ATOM 921 CD LYS A 64 0.710 1.704 13.180 1.00 0.00 C ATOM 922 CE LYS A 64 1.076 1.782 14.655 1.00 0.00 C ATOM 923 NZ LYS A 64 0.975 0.454 15.322 1.00 0.00 N ATOM 0 H LYS A 64 -2.228 -0.240 11.675 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.225 2.420 11.840 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.557 1.290 10.906 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.866 2.988 11.212 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.202 2.601 13.564 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.258 0.863 13.341 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.090 0.773 12.758 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.193 2.519 12.641 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.092 2.164 14.758 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.417 2.491 15.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.232 0.549 16.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.000 0.101 15.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.623 -0.216 14.861 1.00 0.00 H new ATOM 937 N THR A 65 -2.904 3.404 9.438 1.00 0.00 N ATOM 938 CA THR A 65 -3.160 3.868 8.081 1.00 0.00 C ATOM 939 C THR A 65 -1.884 3.856 7.246 1.00 0.00 C ATOM 940 O THR A 65 -1.912 4.137 6.048 1.00 0.00 O ATOM 941 CB THR A 65 -3.749 5.291 8.076 1.00 0.00 C ATOM 942 OG1 THR A 65 -3.257 6.029 9.200 1.00 0.00 O ATOM 943 CG2 THR A 65 -5.269 5.247 8.117 1.00 0.00 C ATOM 0 H THR A 65 -2.719 4.149 10.110 1.00 0.00 H new ATOM 0 HA THR A 65 -3.884 3.181 7.643 1.00 0.00 H new ATOM 0 HB THR A 65 -3.440 5.785 7.155 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.635 6.933 9.188 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.663 6.263 8.113 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.641 4.710 7.244 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.594 4.736 9.023 1.00 0.00 H new ATOM 951 N LYS A 66 -0.767 3.527 7.886 1.00 0.00 N ATOM 952 CA LYS A 66 0.520 3.476 7.202 1.00 0.00 C ATOM 953 C LYS A 66 1.112 2.071 7.262 1.00 0.00 C ATOM 954 O LYS A 66 0.691 1.243 8.069 1.00 0.00 O ATOM 955 CB LYS A 66 1.493 4.478 7.826 1.00 0.00 C ATOM 956 CG LYS A 66 1.405 5.869 7.222 1.00 0.00 C ATOM 957 CD LYS A 66 2.742 6.588 7.280 1.00 0.00 C ATOM 958 CE LYS A 66 2.956 7.260 8.627 1.00 0.00 C ATOM 959 NZ LYS A 66 3.939 8.375 8.541 1.00 0.00 N ATOM 0 H LYS A 66 -0.727 3.292 8.878 1.00 0.00 H new ATOM 0 HA LYS A 66 0.359 3.739 6.157 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.298 4.543 8.896 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.510 4.104 7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.075 5.796 6.186 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.654 6.452 7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.547 5.877 7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.789 7.335 6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.005 7.642 8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.306 6.522 9.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.529 8.385 9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.544 8.241 7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.432 9.279 8.459 1.00 0.00 H new ATOM 973 N PHE A 67 2.092 1.810 6.403 1.00 0.00 N ATOM 974 CA PHE A 67 2.743 0.506 6.360 1.00 0.00 C ATOM 975 C PHE A 67 4.164 0.625 5.817 1.00 0.00 C ATOM 976 O PHE A 67 4.481 1.552 5.070 1.00 0.00 O ATOM 977 CB PHE A 67 1.934 -0.462 5.494 1.00 0.00 C ATOM 978 CG PHE A 67 2.349 -1.897 5.651 1.00 0.00 C ATOM 979 CD1 PHE A 67 3.498 -2.371 5.037 1.00 0.00 C ATOM 980 CD2 PHE A 67 1.591 -2.772 6.412 1.00 0.00 C ATOM 981 CE1 PHE A 67 3.883 -3.690 5.180 1.00 0.00 C ATOM 982 CE2 PHE A 67 1.972 -4.093 6.558 1.00 0.00 C ATOM 983 CZ PHE A 67 3.118 -4.553 5.941 1.00 0.00 C ATOM 0 H PHE A 67 2.453 2.484 5.728 1.00 0.00 H new ATOM 0 HA PHE A 67 2.793 0.119 7.378 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.878 -0.368 5.747 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.038 -0.174 4.448 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.099 -1.701 4.440 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.693 -2.418 6.896 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.781 -4.046 4.697 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.373 -4.765 7.155 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.416 -5.585 6.053 1.00 0.00 H new ATOM 993 N THR A 68 5.018 -0.320 6.199 1.00 0.00 N ATOM 994 CA THR A 68 6.406 -0.321 5.754 1.00 0.00 C ATOM 995 C THR A 68 6.806 -1.686 5.206 1.00 0.00 C ATOM 996 O THR A 68 6.702 -2.698 5.900 1.00 0.00 O ATOM 997 CB THR A 68 7.363 0.062 6.898 1.00 0.00 C ATOM 998 OG1 THR A 68 7.276 1.467 7.160 1.00 0.00 O ATOM 999 CG2 THR A 68 8.798 -0.306 6.549 1.00 0.00 C ATOM 0 H THR A 68 4.772 -1.094 6.816 1.00 0.00 H new ATOM 0 HA THR A 68 6.485 0.423 4.961 1.00 0.00 H new ATOM 0 HB THR A 68 7.069 -0.492 7.789 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.886 1.702 7.890 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.456 -0.026 7.372 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.867 -1.380 6.379 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.100 0.225 5.646 1.00 0.00 H new ATOM 1007 N ILE A 69 7.265 -1.707 3.959 1.00 0.00 N ATOM 1008 CA ILE A 69 7.683 -2.948 3.320 1.00 0.00 C ATOM 1009 C ILE A 69 9.146 -3.255 3.619 1.00 0.00 C ATOM 1010 O ILE A 69 10.050 -2.650 3.043 1.00 0.00 O ATOM 1011 CB ILE A 69 7.484 -2.891 1.794 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.013 -2.637 1.459 1.00 0.00 C ATOM 1013 CG2 ILE A 69 7.965 -4.181 1.148 1.00 0.00 C ATOM 1014 CD1 ILE A 69 5.794 -2.109 0.058 1.00 0.00 C ATOM 0 H ILE A 69 7.357 -0.878 3.371 1.00 0.00 H new ATOM 0 HA ILE A 69 7.057 -3.740 3.730 1.00 0.00 H new ATOM 0 HB ILE A 69 8.076 -2.066 1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.456 -3.566 1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.604 -1.925 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.817 -4.125 0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.024 -4.322 1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.398 -5.022 1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.728 -1.952 -0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.323 -1.163 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.173 -2.830 -0.666 1.00 0.00 H new ATOM 1026 N THR A 70 9.373 -4.202 4.525 1.00 0.00 N ATOM 1027 CA THR A 70 10.727 -4.591 4.901 1.00 0.00 C ATOM 1028 C THR A 70 11.273 -5.658 3.960 1.00 0.00 C ATOM 1029 O THR A 70 10.571 -6.602 3.601 1.00 0.00 O ATOM 1030 CB THR A 70 10.778 -5.121 6.346 1.00 0.00 C ATOM 1031 OG1 THR A 70 9.853 -6.203 6.504 1.00 0.00 O ATOM 1032 CG2 THR A 70 10.449 -4.017 7.339 1.00 0.00 C ATOM 0 H THR A 70 8.637 -4.713 5.012 1.00 0.00 H new ATOM 0 HA THR A 70 11.345 -3.696 4.829 1.00 0.00 H new ATOM 0 HB THR A 70 11.789 -5.476 6.544 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.893 -6.536 7.425 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.491 -4.415 8.353 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.172 -3.208 7.236 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.447 -3.636 7.140 1.00 0.00 H new ATOM 1040 N GLY A 71 12.533 -5.503 3.564 1.00 0.00 N ATOM 1041 CA GLY A 71 13.153 -6.462 2.668 1.00 0.00 C ATOM 1042 C GLY A 71 13.002 -6.076 1.211 1.00 0.00 C ATOM 1043 O GLY A 71 12.338 -6.771 0.441 1.00 0.00 O ATOM 0 H GLY A 71 13.135 -4.730 3.848 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.212 -6.548 2.910 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.709 -7.444 2.828 1.00 0.00 H new ATOM 1047 N LEU A 72 13.619 -4.963 0.829 1.00 0.00 N ATOM 1048 CA LEU A 72 13.549 -4.483 -0.547 1.00 0.00 C ATOM 1049 C LEU A 72 14.934 -4.105 -1.063 1.00 0.00 C ATOM 1050 O LEU A 72 15.700 -3.405 -0.400 1.00 0.00 O ATOM 1051 CB LEU A 72 12.611 -3.278 -0.641 1.00 0.00 C ATOM 1052 CG LEU A 72 11.118 -3.596 -0.732 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.289 -2.358 -0.425 1.00 0.00 C ATOM 1054 CD2 LEU A 72 10.772 -4.144 -2.108 1.00 0.00 C ATOM 0 H LEU A 72 14.173 -4.376 1.453 1.00 0.00 H new ATOM 0 HA LEU A 72 13.158 -5.289 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.775 -2.646 0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.891 -2.692 -1.516 1.00 0.00 H new ATOM 0 HG LEU A 72 10.883 -4.359 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.229 -2.603 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.515 -2.009 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.528 -1.573 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.706 -4.365 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.023 -3.404 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.339 -5.057 -2.289 1.00 0.00 H new ATOM 1066 N PRO A 73 15.263 -4.576 -2.275 1.00 0.00 N ATOM 1067 CA PRO A 73 16.556 -4.298 -2.908 1.00 0.00 C ATOM 1068 C PRO A 73 16.693 -2.839 -3.330 1.00 0.00 C ATOM 1069 O PRO A 73 15.805 -2.282 -3.977 1.00 0.00 O ATOM 1070 CB PRO A 73 16.554 -5.212 -4.136 1.00 0.00 C ATOM 1071 CG PRO A 73 15.112 -5.428 -4.444 1.00 0.00 C ATOM 1072 CD PRO A 73 14.399 -5.416 -3.121 1.00 0.00 C ATOM 0 HA PRO A 73 17.389 -4.477 -2.228 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.073 -4.749 -4.975 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.060 -6.155 -3.929 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.731 -4.644 -5.099 1.00 0.00 H new ATOM 0 HG3 PRO A 73 14.961 -6.376 -4.960 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.396 -4.999 -3.209 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.292 -6.421 -2.713 1.00 0.00 H new ATOM 1080 N THR A 74 17.811 -2.223 -2.960 1.00 0.00 N ATOM 1081 CA THR A 74 18.064 -0.828 -3.299 1.00 0.00 C ATOM 1082 C THR A 74 18.062 -0.621 -4.810 1.00 0.00 C ATOM 1083 O THR A 74 18.618 -1.426 -5.557 1.00 0.00 O ATOM 1084 CB THR A 74 19.411 -0.346 -2.729 1.00 0.00 C ATOM 1085 OG1 THR A 74 19.435 -0.529 -1.309 1.00 0.00 O ATOM 1086 CG2 THR A 74 19.646 1.119 -3.061 1.00 0.00 C ATOM 0 H THR A 74 18.556 -2.669 -2.425 1.00 0.00 H new ATOM 0 HA THR A 74 17.259 -0.244 -2.853 1.00 0.00 H new ATOM 0 HB THR A 74 20.206 -0.937 -3.185 1.00 0.00 H new ATOM 0 HG1 THR A 74 18.559 -0.298 -0.935 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.603 1.437 -2.648 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.656 1.250 -4.143 1.00 0.00 H new ATOM 0 HG23 THR A 74 18.847 1.722 -2.630 1.00 0.00 H new ATOM 1094 N ASP A 75 17.434 0.463 -5.252 1.00 0.00 N ATOM 1095 CA ASP A 75 17.361 0.777 -6.675 1.00 0.00 C ATOM 1096 C ASP A 75 16.459 -0.213 -7.404 1.00 0.00 C ATOM 1097 O ASP A 75 16.839 -0.774 -8.431 1.00 0.00 O ATOM 1098 CB ASP A 75 18.760 0.763 -7.294 1.00 0.00 C ATOM 1099 CG ASP A 75 18.807 1.473 -8.633 1.00 0.00 C ATOM 1100 OD1 ASP A 75 18.651 2.711 -8.654 1.00 0.00 O ATOM 1101 OD2 ASP A 75 18.999 0.789 -9.661 1.00 0.00 O ATOM 0 H ASP A 75 16.968 1.139 -4.646 1.00 0.00 H new ATOM 0 HA ASP A 75 16.935 1.775 -6.781 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.462 1.238 -6.609 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.088 -0.269 -7.421 1.00 0.00 H new ATOM 1106 N ALA A 76 15.262 -0.422 -6.865 1.00 0.00 N ATOM 1107 CA ALA A 76 14.305 -1.344 -7.466 1.00 0.00 C ATOM 1108 C ALA A 76 12.930 -0.697 -7.600 1.00 0.00 C ATOM 1109 O ALA A 76 12.478 0.017 -6.704 1.00 0.00 O ATOM 1110 CB ALA A 76 14.212 -2.619 -6.641 1.00 0.00 C ATOM 0 H ALA A 76 14.932 0.034 -6.014 1.00 0.00 H new ATOM 0 HA ALA A 76 14.658 -1.596 -8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.494 -3.298 -7.101 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.190 -3.098 -6.600 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.885 -2.375 -5.630 1.00 0.00 H new ATOM 1116 N LYS A 77 12.269 -0.951 -8.724 1.00 0.00 N ATOM 1117 CA LYS A 77 10.945 -0.394 -8.976 1.00 0.00 C ATOM 1118 C LYS A 77 9.855 -1.395 -8.607 1.00 0.00 C ATOM 1119 O LYS A 77 9.859 -2.533 -9.079 1.00 0.00 O ATOM 1120 CB LYS A 77 10.809 0.006 -10.447 1.00 0.00 C ATOM 1121 CG LYS A 77 11.679 1.188 -10.839 1.00 0.00 C ATOM 1122 CD LYS A 77 11.207 1.821 -12.137 1.00 0.00 C ATOM 1123 CE LYS A 77 12.156 2.916 -12.600 1.00 0.00 C ATOM 1124 NZ LYS A 77 13.337 2.360 -13.315 1.00 0.00 N ATOM 0 H LYS A 77 12.629 -1.539 -9.476 1.00 0.00 H new ATOM 0 HA LYS A 77 10.826 0.492 -8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.068 -0.848 -11.073 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.767 0.248 -10.654 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.663 1.933 -10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 77 12.713 0.860 -10.948 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.129 1.056 -12.909 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.209 2.237 -11.998 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.624 3.604 -13.257 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.492 3.494 -11.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 13.959 3.138 -13.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.859 1.723 -12.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.019 1.830 -14.151 1.00 0.00 H new ATOM 1138 N ILE A 78 8.923 -0.964 -7.764 1.00 0.00 N ATOM 1139 CA ILE A 78 7.826 -1.822 -7.335 1.00 0.00 C ATOM 1140 C ILE A 78 6.512 -1.050 -7.282 1.00 0.00 C ATOM 1141 O ILE A 78 6.492 0.141 -6.971 1.00 0.00 O ATOM 1142 CB ILE A 78 8.102 -2.440 -5.951 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.207 -1.342 -4.891 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.374 -3.273 -5.987 1.00 0.00 C ATOM 1145 CD1 ILE A 78 7.923 -1.829 -3.487 1.00 0.00 C ATOM 0 H ILE A 78 8.906 -0.026 -7.365 1.00 0.00 H new ATOM 0 HA ILE A 78 7.745 -2.622 -8.071 1.00 0.00 H new ATOM 0 HB ILE A 78 7.271 -3.094 -5.689 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.208 -0.912 -4.922 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.509 -0.542 -5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.555 -3.703 -5.002 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.264 -4.074 -6.718 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.216 -2.640 -6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.016 -0.998 -2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.911 -2.232 -3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.637 -2.608 -3.221 1.00 0.00 H new ATOM 1157 N PHE A 79 5.416 -1.736 -7.586 1.00 0.00 N ATOM 1158 CA PHE A 79 4.096 -1.115 -7.572 1.00 0.00 C ATOM 1159 C PHE A 79 3.352 -1.448 -6.282 1.00 0.00 C ATOM 1160 O PHE A 79 3.396 -2.580 -5.801 1.00 0.00 O ATOM 1161 CB PHE A 79 3.279 -1.578 -8.780 1.00 0.00 C ATOM 1162 CG PHE A 79 3.974 -1.360 -10.093 1.00 0.00 C ATOM 1163 CD1 PHE A 79 3.869 -0.147 -10.755 1.00 0.00 C ATOM 1164 CD2 PHE A 79 4.731 -2.368 -10.667 1.00 0.00 C ATOM 1165 CE1 PHE A 79 4.508 0.057 -11.963 1.00 0.00 C ATOM 1166 CE2 PHE A 79 5.373 -2.170 -11.875 1.00 0.00 C ATOM 1167 CZ PHE A 79 5.260 -0.956 -12.525 1.00 0.00 C ATOM 0 H PHE A 79 5.415 -2.723 -7.845 1.00 0.00 H new ATOM 0 HA PHE A 79 4.229 -0.034 -7.625 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.052 -2.638 -8.670 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.327 -1.047 -8.790 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.281 0.648 -10.322 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.821 -3.320 -10.165 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.419 1.008 -12.467 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.962 -2.963 -12.310 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.758 -0.800 -13.470 1.00 0.00 H new ATOM 1177 N VAL A 80 2.669 -0.452 -5.727 1.00 0.00 N ATOM 1178 CA VAL A 80 1.914 -0.638 -4.493 1.00 0.00 C ATOM 1179 C VAL A 80 0.424 -0.410 -4.721 1.00 0.00 C ATOM 1180 O VAL A 80 0.031 0.434 -5.526 1.00 0.00 O ATOM 1181 CB VAL A 80 2.405 0.315 -3.386 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.413 0.349 -2.234 1.00 0.00 C ATOM 1183 CG2 VAL A 80 3.785 -0.100 -2.901 1.00 0.00 C ATOM 0 H VAL A 80 2.623 0.491 -6.112 1.00 0.00 H new ATOM 0 HA VAL A 80 2.076 -1.668 -4.174 1.00 0.00 H new ATOM 0 HB VAL A 80 2.478 1.320 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.776 1.027 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.446 0.697 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.305 -0.652 -1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.117 0.584 -2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.741 -1.113 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.488 -0.068 -3.733 1.00 0.00 H new ATOM 1193 N ARG A 81 -0.401 -1.168 -4.006 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.849 -1.049 -4.130 1.00 0.00 C ATOM 1195 C ARG A 81 -2.534 -1.326 -2.796 1.00 0.00 C ATOM 1196 O ARG A 81 -2.215 -2.299 -2.112 1.00 0.00 O ATOM 1197 CB ARG A 81 -2.371 -2.016 -5.195 1.00 0.00 C ATOM 1198 CG ARG A 81 -1.956 -3.459 -4.962 1.00 0.00 C ATOM 1199 CD ARG A 81 -2.979 -4.431 -5.530 1.00 0.00 C ATOM 1200 NE ARG A 81 -2.744 -4.710 -6.944 1.00 0.00 N ATOM 1201 CZ ARG A 81 -3.591 -5.386 -7.711 1.00 0.00 C ATOM 1202 NH1 ARG A 81 -4.724 -5.851 -7.203 1.00 0.00 N ATOM 1203 NH2 ARG A 81 -3.307 -5.599 -8.989 1.00 0.00 N ATOM 0 H ARG A 81 -0.092 -1.871 -3.335 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.080 -0.027 -4.431 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.459 -1.960 -5.223 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.010 -1.696 -6.172 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.985 -3.639 -5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.838 -3.637 -3.893 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.945 -5.363 -4.966 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.980 -4.018 -5.404 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.881 -4.366 -7.366 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.947 -5.690 -6.221 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.373 -6.370 -7.794 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.437 -5.243 -9.384 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.959 -6.119 -9.577 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.477 -0.464 -2.430 1.00 0.00 N ATOM 1218 CA VAL A 82 -4.208 -0.615 -1.177 1.00 0.00 C ATOM 1219 C VAL A 82 -5.714 -0.595 -1.414 1.00 0.00 C ATOM 1220 O VAL A 82 -6.241 0.314 -2.054 1.00 0.00 O ATOM 1221 CB VAL A 82 -3.841 0.496 -0.175 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.397 0.350 0.279 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -4.080 1.867 -0.791 1.00 0.00 C ATOM 0 H VAL A 82 -3.753 0.347 -2.984 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.922 -1.580 -0.758 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.483 0.399 0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.156 1.144 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.263 -0.619 0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.735 0.420 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.816 2.641 -0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.464 1.977 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.131 1.966 -1.061 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.402 -1.604 -0.892 1.00 0.00 N ATOM 1234 CA LYS A 83 -7.849 -1.703 -1.043 1.00 0.00 C ATOM 1235 C LYS A 83 -8.518 -1.999 0.296 1.00 0.00 C ATOM 1236 O LYS A 83 -7.860 -2.411 1.250 1.00 0.00 O ATOM 1237 CB LYS A 83 -8.203 -2.797 -2.054 1.00 0.00 C ATOM 1238 CG LYS A 83 -7.518 -4.124 -1.779 1.00 0.00 C ATOM 1239 CD LYS A 83 -7.464 -4.993 -3.024 1.00 0.00 C ATOM 1240 CE LYS A 83 -7.077 -6.425 -2.689 1.00 0.00 C ATOM 1241 NZ LYS A 83 -7.118 -7.306 -3.889 1.00 0.00 N ATOM 0 H LYS A 83 -5.981 -2.366 -0.360 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.217 -0.744 -1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.283 -2.947 -2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.931 -2.458 -3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.506 -3.944 -1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.051 -4.652 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.436 -4.984 -3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.745 -4.576 -3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.074 -6.440 -2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.753 -6.815 -1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.848 -8.273 -3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.081 -7.312 -4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.454 -6.948 -4.605 1.00 0.00 H new ATOM 1255 N ALA A 84 -9.828 -1.786 0.357 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.585 -2.033 1.578 1.00 0.00 C ATOM 1257 C ALA A 84 -11.324 -3.365 1.506 1.00 0.00 C ATOM 1258 O ALA A 84 -11.934 -3.694 0.488 1.00 0.00 O ATOM 1259 CB ALA A 84 -11.565 -0.896 1.830 1.00 0.00 C ATOM 0 H ALA A 84 -10.387 -1.443 -0.424 1.00 0.00 H new ATOM 0 HA ALA A 84 -9.881 -2.083 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.124 -1.093 2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.017 0.040 1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.257 -0.820 0.991 1.00 0.00 H new ATOM 1265 N VAL A 85 -11.265 -4.129 2.592 1.00 0.00 N ATOM 1266 CA VAL A 85 -11.929 -5.425 2.652 1.00 0.00 C ATOM 1267 C VAL A 85 -12.965 -5.461 3.770 1.00 0.00 C ATOM 1268 O VAL A 85 -12.704 -5.014 4.886 1.00 0.00 O ATOM 1269 CB VAL A 85 -10.916 -6.565 2.869 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -11.633 -7.900 2.996 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -9.904 -6.601 1.734 1.00 0.00 C ATOM 0 H VAL A 85 -10.764 -3.872 3.442 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.428 -5.569 1.694 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.379 -6.378 3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.901 -8.693 3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.315 -7.867 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.198 -8.098 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.196 -7.412 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.423 -6.763 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.367 -5.653 1.695 1.00 0.00 H new ATOM 1281 N ASN A 86 -14.142 -5.997 3.461 1.00 0.00 N ATOM 1282 CA ASN A 86 -15.218 -6.091 4.441 1.00 0.00 C ATOM 1283 C ASN A 86 -16.020 -7.375 4.246 1.00 0.00 C ATOM 1284 O ASN A 86 -15.883 -8.056 3.230 1.00 0.00 O ATOM 1285 CB ASN A 86 -16.143 -4.877 4.331 1.00 0.00 C ATOM 1286 CG ASN A 86 -16.203 -4.321 2.922 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -15.083 -3.786 2.449 1.00 0.00 O flip ATOM 1288 ND2 ASN A 86 -17.243 -4.372 2.265 1.00 0.00 N flip ATOM 0 H ASN A 86 -14.374 -6.372 2.541 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.771 -6.110 5.435 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -17.146 -5.158 4.651 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -15.798 -4.098 5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -18.081 -4.792 2.668 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -17.267 -3.994 1.318 1.00 0.00 H new ATOM 1295 N ALA A 87 -16.857 -7.698 5.226 1.00 0.00 N ATOM 1296 CA ALA A 87 -17.682 -8.898 5.161 1.00 0.00 C ATOM 1297 C ALA A 87 -18.210 -9.126 3.749 1.00 0.00 C ATOM 1298 O ALA A 87 -18.192 -10.247 3.243 1.00 0.00 O ATOM 1299 CB ALA A 87 -18.836 -8.798 6.148 1.00 0.00 C ATOM 0 H ALA A 87 -16.982 -7.146 6.074 1.00 0.00 H new ATOM 0 HA ALA A 87 -17.060 -9.752 5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -19.444 -9.701 6.089 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -18.442 -8.691 7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -19.449 -7.931 5.904 1.00 0.00 H new ATOM 1305 N ALA A 88 -18.679 -8.055 3.117 1.00 0.00 N ATOM 1306 CA ALA A 88 -19.211 -8.139 1.763 1.00 0.00 C ATOM 1307 C ALA A 88 -18.181 -8.728 0.805 1.00 0.00 C ATOM 1308 O ALA A 88 -18.462 -9.688 0.089 1.00 0.00 O ATOM 1309 CB ALA A 88 -19.654 -6.764 1.284 1.00 0.00 C ATOM 0 H ALA A 88 -18.701 -7.119 3.521 1.00 0.00 H new ATOM 0 HA ALA A 88 -20.076 -8.802 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.049 -6.841 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.429 -6.380 1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -18.802 -6.085 1.290 1.00 0.00 H new ATOM 1315 N GLY A 89 -16.985 -8.145 0.796 1.00 0.00 N ATOM 1316 CA GLY A 89 -15.932 -8.626 -0.079 1.00 0.00 C ATOM 1317 C GLY A 89 -14.716 -7.720 -0.074 1.00 0.00 C ATOM 1318 O GLY A 89 -14.216 -7.348 0.987 1.00 0.00 O ATOM 0 H GLY A 89 -16.727 -7.349 1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.636 -9.628 0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -16.317 -8.707 -1.096 1.00 0.00 H new ATOM 1322 N ALA A 90 -14.239 -7.367 -1.262 1.00 0.00 N ATOM 1323 CA ALA A 90 -13.074 -6.499 -1.391 1.00 0.00 C ATOM 1324 C ALA A 90 -13.365 -5.324 -2.318 1.00 0.00 C ATOM 1325 O ALA A 90 -14.309 -5.362 -3.107 1.00 0.00 O ATOM 1326 CB ALA A 90 -11.879 -7.292 -1.899 1.00 0.00 C ATOM 0 H ALA A 90 -14.641 -7.668 -2.150 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.838 -6.100 -0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.017 -6.632 -1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.649 -8.094 -1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.114 -7.719 -2.874 1.00 0.00 H new ATOM 1332 N SER A 91 -12.547 -4.281 -2.217 1.00 0.00 N ATOM 1333 CA SER A 91 -12.719 -3.092 -3.044 1.00 0.00 C ATOM 1334 C SER A 91 -11.684 -3.055 -4.164 1.00 0.00 C ATOM 1335 O SER A 91 -10.714 -3.813 -4.152 1.00 0.00 O ATOM 1336 CB SER A 91 -12.608 -1.829 -2.188 1.00 0.00 C ATOM 1337 OG SER A 91 -13.862 -1.479 -1.630 1.00 0.00 O ATOM 0 H SER A 91 -11.759 -4.235 -1.571 1.00 0.00 H new ATOM 0 HA SER A 91 -13.712 -3.132 -3.492 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.883 -1.990 -1.390 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.235 -1.005 -2.796 1.00 0.00 H new ATOM 0 HG SER A 91 -13.764 -0.670 -1.086 1.00 0.00 H new ATOM 1343 N GLU A 92 -11.898 -2.167 -5.130 1.00 0.00 N ATOM 1344 CA GLU A 92 -10.983 -2.031 -6.258 1.00 0.00 C ATOM 1345 C GLU A 92 -9.598 -1.599 -5.786 1.00 0.00 C ATOM 1346 O GLU A 92 -9.451 -0.796 -4.864 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.529 -1.018 -7.266 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.221 0.426 -6.907 1.00 0.00 C ATOM 1349 CD GLU A 92 -11.672 1.402 -7.976 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -10.942 1.565 -8.976 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -12.755 2.002 -7.813 1.00 0.00 O ATOM 0 H GLU A 92 -12.696 -1.532 -5.154 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.896 -3.004 -6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.112 -1.236 -8.249 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.609 -1.142 -7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.709 0.674 -5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.148 0.536 -6.749 1.00 0.00 H new ATOM 1358 N PRO A 93 -8.557 -2.144 -6.432 1.00 0.00 N ATOM 1359 CA PRO A 93 -7.164 -1.830 -6.096 1.00 0.00 C ATOM 1360 C PRO A 93 -6.782 -0.405 -6.481 1.00 0.00 C ATOM 1361 O PRO A 93 -7.281 0.138 -7.467 1.00 0.00 O ATOM 1362 CB PRO A 93 -6.364 -2.840 -6.923 1.00 0.00 C ATOM 1363 CG PRO A 93 -7.252 -3.179 -8.070 1.00 0.00 C ATOM 1364 CD PRO A 93 -8.658 -3.108 -7.540 1.00 0.00 C ATOM 0 HA PRO A 93 -6.979 -1.894 -5.024 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.421 -2.413 -7.265 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.119 -3.726 -6.337 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.110 -2.480 -8.894 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.030 -4.174 -8.455 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.359 -2.770 -8.304 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.007 -4.081 -7.195 1.00 0.00 H new ATOM 1372 N LYS A 94 -5.894 0.196 -5.697 1.00 0.00 N ATOM 1373 CA LYS A 94 -5.443 1.559 -5.955 1.00 0.00 C ATOM 1374 C LYS A 94 -4.012 1.567 -6.482 1.00 0.00 C ATOM 1375 O LYS A 94 -3.056 1.458 -5.713 1.00 0.00 O ATOM 1376 CB LYS A 94 -5.533 2.399 -4.679 1.00 0.00 C ATOM 1377 CG LYS A 94 -4.840 3.746 -4.788 1.00 0.00 C ATOM 1378 CD LYS A 94 -5.705 4.761 -5.515 1.00 0.00 C ATOM 1379 CE LYS A 94 -6.596 5.527 -4.550 1.00 0.00 C ATOM 1380 NZ LYS A 94 -7.836 6.019 -5.212 1.00 0.00 N ATOM 0 H LYS A 94 -5.472 -0.239 -4.877 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.094 1.993 -6.714 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.583 2.559 -4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.093 1.839 -3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.604 4.116 -3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.894 3.628 -5.317 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.069 5.460 -6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.322 4.251 -6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.863 4.883 -3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.044 6.372 -4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.417 6.536 -4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.583 6.654 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.376 5.211 -5.582 1.00 0.00 H new ATOM 1394 N TYR A 95 -3.871 1.698 -7.796 1.00 0.00 N ATOM 1395 CA TYR A 95 -2.556 1.720 -8.426 1.00 0.00 C ATOM 1396 C TYR A 95 -1.961 3.124 -8.396 1.00 0.00 C ATOM 1397 O TYR A 95 -2.497 4.051 -9.006 1.00 0.00 O ATOM 1398 CB TYR A 95 -2.650 1.224 -9.869 1.00 0.00 C ATOM 1399 CG TYR A 95 -3.298 -0.136 -10.002 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -2.819 -1.228 -9.289 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -4.390 -0.328 -10.839 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -3.408 -2.472 -9.407 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -4.986 -1.568 -10.962 1.00 0.00 C ATOM 1404 CZ TYR A 95 -4.491 -2.637 -10.244 1.00 0.00 C ATOM 1405 OH TYR A 95 -5.081 -3.874 -10.365 1.00 0.00 O ATOM 0 H TYR A 95 -4.651 1.791 -8.446 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.901 1.055 -7.863 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.217 1.946 -10.456 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.648 1.183 -10.296 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.972 -1.102 -8.631 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.780 0.506 -11.403 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -3.022 -3.311 -8.847 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.835 -1.700 -11.617 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.831 -3.819 -10.993 1.00 0.00 H new ATOM 1415 N TYR A 96 -0.849 3.274 -7.685 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.181 4.565 -7.573 1.00 0.00 C ATOM 1417 C TYR A 96 0.154 5.126 -8.952 1.00 0.00 C ATOM 1418 O TYR A 96 -0.100 4.487 -9.973 1.00 0.00 O ATOM 1419 CB TYR A 96 1.095 4.433 -6.740 1.00 0.00 C ATOM 1420 CG TYR A 96 1.579 5.743 -6.161 1.00 0.00 C ATOM 1421 CD1 TYR A 96 0.701 6.607 -5.518 1.00 0.00 C ATOM 1422 CD2 TYR A 96 2.913 6.118 -6.258 1.00 0.00 C ATOM 1423 CE1 TYR A 96 1.138 7.805 -4.988 1.00 0.00 C ATOM 1424 CE2 TYR A 96 3.359 7.313 -5.730 1.00 0.00 C ATOM 1425 CZ TYR A 96 2.468 8.154 -5.096 1.00 0.00 C ATOM 1426 OH TYR A 96 2.909 9.347 -4.570 1.00 0.00 O ATOM 0 H TYR A 96 -0.391 2.517 -7.177 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.862 5.255 -7.075 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.916 3.730 -5.926 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.882 4.007 -7.362 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.341 6.337 -5.431 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.613 5.463 -6.755 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.442 8.465 -4.492 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.400 7.588 -5.813 1.00 0.00 H new ATOM 0 HH TYR A 96 3.871 9.439 -4.730 1.00 0.00 H new ATOM 1436 N SER A 97 0.728 6.325 -8.973 1.00 0.00 N ATOM 1437 CA SER A 97 1.096 6.974 -10.226 1.00 0.00 C ATOM 1438 C SER A 97 2.393 6.391 -10.779 1.00 0.00 C ATOM 1439 O SER A 97 2.386 5.673 -11.778 1.00 0.00 O ATOM 1440 CB SER A 97 1.250 8.482 -10.017 1.00 0.00 C ATOM 1441 OG SER A 97 0.022 9.070 -9.622 1.00 0.00 O ATOM 0 H SER A 97 0.948 6.866 -8.137 1.00 0.00 H new ATOM 0 HA SER A 97 0.300 6.793 -10.948 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.009 8.672 -9.258 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.599 8.946 -10.939 1.00 0.00 H new ATOM 0 HG SER A 97 0.147 10.033 -9.493 1.00 0.00 H new ATOM 1447 N GLN A 98 3.504 6.706 -10.121 1.00 0.00 N ATOM 1448 CA GLN A 98 4.809 6.214 -10.547 1.00 0.00 C ATOM 1449 C GLN A 98 5.272 5.062 -9.662 1.00 0.00 C ATOM 1450 O GLN A 98 4.877 4.940 -8.503 1.00 0.00 O ATOM 1451 CB GLN A 98 5.839 7.345 -10.513 1.00 0.00 C ATOM 1452 CG GLN A 98 5.592 8.424 -11.555 1.00 0.00 C ATOM 1453 CD GLN A 98 6.710 9.447 -11.611 1.00 0.00 C ATOM 1454 OE1 GLN A 98 6.635 10.501 -10.978 1.00 0.00 O ATOM 1455 NE2 GLN A 98 7.755 9.142 -12.371 1.00 0.00 N ATOM 0 H GLN A 98 3.527 7.299 -9.292 1.00 0.00 H new ATOM 0 HA GLN A 98 4.715 5.847 -11.569 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.834 7.800 -9.523 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.833 6.925 -10.666 1.00 0.00 H new ATOM 0 HG2 GLN A 98 5.480 7.959 -12.535 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.652 8.930 -11.333 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.776 8.257 -12.878 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.537 9.792 -12.447 1.00 0.00 H new ATOM 1464 N PRO A 99 6.130 4.194 -10.220 1.00 0.00 N ATOM 1465 CA PRO A 99 6.665 3.036 -9.499 1.00 0.00 C ATOM 1466 C PRO A 99 7.638 3.439 -8.396 1.00 0.00 C ATOM 1467 O PRO A 99 8.730 3.937 -8.670 1.00 0.00 O ATOM 1468 CB PRO A 99 7.392 2.244 -10.589 1.00 0.00 C ATOM 1469 CG PRO A 99 7.748 3.259 -11.620 1.00 0.00 C ATOM 1470 CD PRO A 99 6.643 4.278 -11.598 1.00 0.00 C ATOM 0 HA PRO A 99 5.880 2.472 -8.994 1.00 0.00 H new ATOM 0 HB2 PRO A 99 8.281 1.752 -10.195 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.754 1.464 -11.005 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.709 3.721 -11.397 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.836 2.800 -12.605 1.00 0.00 H new ATOM 0 HD2 PRO A 99 7.013 5.277 -11.829 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.869 4.047 -12.330 1.00 0.00 H new ATOM 1478 N ILE A 100 7.234 3.219 -7.149 1.00 0.00 N ATOM 1479 CA ILE A 100 8.071 3.558 -6.005 1.00 0.00 C ATOM 1480 C ILE A 100 9.450 2.917 -6.123 1.00 0.00 C ATOM 1481 O ILE A 100 9.590 1.697 -6.027 1.00 0.00 O ATOM 1482 CB ILE A 100 7.423 3.113 -4.681 1.00 0.00 C ATOM 1483 CG1 ILE A 100 6.018 3.705 -4.551 1.00 0.00 C ATOM 1484 CG2 ILE A 100 8.289 3.527 -3.501 1.00 0.00 C ATOM 1485 CD1 ILE A 100 5.076 2.852 -3.731 1.00 0.00 C ATOM 0 H ILE A 100 6.333 2.808 -6.906 1.00 0.00 H new ATOM 0 HA ILE A 100 8.176 4.643 -6.002 1.00 0.00 H new ATOM 0 HB ILE A 100 7.341 2.026 -4.682 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.090 4.693 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.597 3.842 -5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.817 3.205 -2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.271 3.062 -3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.401 4.611 -3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.099 3.333 -3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.974 1.872 -4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.475 2.736 -2.723 1.00 0.00 H new ATOM 1497 N LEU A 101 10.466 3.747 -6.331 1.00 0.00 N ATOM 1498 CA LEU A 101 11.836 3.262 -6.461 1.00 0.00 C ATOM 1499 C LEU A 101 12.549 3.278 -5.113 1.00 0.00 C ATOM 1500 O LEU A 101 13.159 4.278 -4.733 1.00 0.00 O ATOM 1501 CB LEU A 101 12.607 4.117 -7.469 1.00 0.00 C ATOM 1502 CG LEU A 101 14.021 3.643 -7.808 1.00 0.00 C ATOM 1503 CD1 LEU A 101 13.999 2.200 -8.290 1.00 0.00 C ATOM 1504 CD2 LEU A 101 14.650 4.548 -8.857 1.00 0.00 C ATOM 0 H LEU A 101 10.367 4.759 -6.413 1.00 0.00 H new ATOM 0 HA LEU A 101 11.799 2.233 -6.820 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.030 4.164 -8.392 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.669 5.133 -7.080 1.00 0.00 H new ATOM 0 HG LEU A 101 14.627 3.693 -6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.014 1.880 -8.527 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.590 1.561 -7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.377 2.124 -9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 101 15.656 4.196 -9.086 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.044 4.530 -9.763 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.701 5.567 -8.475 1.00 0.00 H new ATOM 1516 N VAL A 102 12.470 2.163 -4.394 1.00 0.00 N ATOM 1517 CA VAL A 102 13.111 2.047 -3.090 1.00 0.00 C ATOM 1518 C VAL A 102 14.475 2.728 -3.085 1.00 0.00 C ATOM 1519 O VAL A 102 15.485 2.124 -3.447 1.00 0.00 O ATOM 1520 CB VAL A 102 13.284 0.573 -2.678 1.00 0.00 C ATOM 1521 CG1 VAL A 102 13.896 -0.231 -3.816 1.00 0.00 C ATOM 1522 CG2 VAL A 102 14.135 0.467 -1.422 1.00 0.00 C ATOM 0 H VAL A 102 11.968 1.327 -4.693 1.00 0.00 H new ATOM 0 HA VAL A 102 12.458 2.543 -2.372 1.00 0.00 H new ATOM 0 HB VAL A 102 12.301 0.157 -2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.011 -1.270 -3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 102 13.244 -0.182 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 102 14.872 0.182 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.247 -0.581 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.118 0.899 -1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.651 1.007 -0.608 1.00 0.00 H new ATOM 1532 N LYS A 103 14.498 3.991 -2.672 1.00 0.00 N ATOM 1533 CA LYS A 103 15.738 4.756 -2.618 1.00 0.00 C ATOM 1534 C LYS A 103 15.739 5.707 -1.425 1.00 0.00 C ATOM 1535 O LYS A 103 14.699 6.251 -1.054 1.00 0.00 O ATOM 1536 CB LYS A 103 15.931 5.547 -3.914 1.00 0.00 C ATOM 1537 CG LYS A 103 17.314 6.158 -4.054 1.00 0.00 C ATOM 1538 CD LYS A 103 18.299 5.174 -4.664 1.00 0.00 C ATOM 1539 CE LYS A 103 19.452 5.892 -5.348 1.00 0.00 C ATOM 1540 NZ LYS A 103 20.600 4.979 -5.606 1.00 0.00 N ATOM 0 H LYS A 103 13.671 4.506 -2.370 1.00 0.00 H new ATOM 0 HA LYS A 103 16.564 4.054 -2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 103 15.747 4.888 -4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.186 6.341 -3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 103 17.257 7.051 -4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 103 17.674 6.475 -3.075 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.688 4.517 -3.886 1.00 0.00 H new ATOM 0 HD3 LYS A 103 17.783 4.541 -5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 103 19.107 6.317 -6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 103 19.782 6.724 -4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 21.365 5.507 -6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 20.946 4.593 -4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 20.292 4.199 -6.221 1.00 0.00 H new ATOM 1554 N GLU A 104 16.912 5.903 -0.831 1.00 0.00 N ATOM 1555 CA GLU A 104 17.046 6.789 0.319 1.00 0.00 C ATOM 1556 C GLU A 104 17.094 8.250 -0.122 1.00 0.00 C ATOM 1557 O GLU A 104 17.368 8.549 -1.284 1.00 0.00 O ATOM 1558 CB GLU A 104 18.307 6.443 1.113 1.00 0.00 C ATOM 1559 CG GLU A 104 18.351 7.078 2.493 1.00 0.00 C ATOM 1560 CD GLU A 104 19.238 6.316 3.458 1.00 0.00 C ATOM 1561 OE1 GLU A 104 18.825 5.228 3.911 1.00 0.00 O ATOM 1562 OE2 GLU A 104 20.345 6.808 3.760 1.00 0.00 O ATOM 0 H GLU A 104 17.782 5.461 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 104 16.174 6.649 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.374 5.360 1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.182 6.763 0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 104 18.712 8.103 2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.340 7.129 2.898 1.00 0.00 H new