USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 856 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 33 TYR OH : rot 180:sc= -0.693 USER MOD Set 1.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -98:sc=-0.00901 (180deg=-0.0554) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.654 F(o=-1.6,f=-0.65) USER MOD Single : A 25 THR OG1 : rot -52:sc= 1.18 USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= -0.113 (180deg=-0.133) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 138:sc= -0.826 (180deg=-3.24!) USER MOD Single : A 47 TYR OH : rot 16:sc= -0.41 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 53:sc= -0.0772 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.133 F(o=-0.8,f=-0.13) USER MOD Single : A 80 GLN : amide:sc= -0.045 X(o=-0.045,f=-0.44) USER MOD Single : A 84 THR OG1 : rot 2:sc= -6.77! USER MOD Single : A 86 LYS NZ :NH3+ 161:sc= -0.271 (180deg=-0.902) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.496 USER MOD Single : A 93 LYS NZ :NH3+ -116:sc= 0.169! (180deg=-4.59!) USER MOD Single : A 95 GLN : amide:sc= -1.53 X(o=-1.5,f=-1.9) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0522 USER MOD Single : A 99 TYR OH : rot -15:sc= -0.966 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 144:sc= -4.36! USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -4.97 K(o=-5,f=-7.2!) USER MOD Single : A 117 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.273) USER MOD Single : A 118 TYR OH : rot 130:sc= -0.274 USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 9 -3.795 9.119 3.872 1.00 0.00 N ATOM 98 CA VAL A 9 -2.379 8.866 4.111 1.00 0.00 C ATOM 99 C VAL A 9 -2.171 8.104 5.415 1.00 0.00 C ATOM 100 O VAL A 9 -2.645 8.521 6.472 1.00 0.00 O ATOM 101 CB VAL A 9 -1.574 10.178 4.162 1.00 0.00 C ATOM 102 CG1 VAL A 9 -0.082 9.887 4.207 1.00 0.00 C ATOM 103 CG2 VAL A 9 -1.918 11.062 2.973 1.00 0.00 C ATOM 0 HA VAL A 9 -2.020 8.262 3.278 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.843 10.714 5.072 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.471 10.826 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.147 9.297 5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.207 9.329 3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.340 11.984 3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.680 10.537 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.982 11.299 2.992 1.00 0.00 H new ATOM 113 N THR A 10 -1.460 6.984 5.333 1.00 0.00 N ATOM 114 CA THR A 10 -1.190 6.162 6.508 1.00 0.00 C ATOM 115 C THR A 10 0.297 5.845 6.621 1.00 0.00 C ATOM 116 O THR A 10 0.946 5.499 5.633 1.00 0.00 O ATOM 117 CB THR A 10 -1.997 4.865 6.444 1.00 0.00 C ATOM 118 OG1 THR A 10 -3.374 5.139 6.257 1.00 0.00 O ATOM 119 CG2 THR A 10 -1.864 4.015 7.689 1.00 0.00 C ATOM 0 H THR A 10 -1.061 6.625 4.466 1.00 0.00 H new ATOM 0 HA THR A 10 -1.490 6.725 7.392 1.00 0.00 H new ATOM 0 HB THR A 10 -1.586 4.312 5.600 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.873 4.296 6.217 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.461 3.110 7.577 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.818 3.744 7.834 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.216 4.578 8.553 1.00 0.00 H new ATOM 127 N VAL A 11 0.830 5.964 7.832 1.00 0.00 N ATOM 128 CA VAL A 11 2.241 5.690 8.078 1.00 0.00 C ATOM 129 C VAL A 11 2.460 4.221 8.422 1.00 0.00 C ATOM 130 O VAL A 11 1.676 3.622 9.158 1.00 0.00 O ATOM 131 CB VAL A 11 2.792 6.563 9.223 1.00 0.00 C ATOM 132 CG1 VAL A 11 4.298 6.386 9.355 1.00 0.00 C ATOM 133 CG2 VAL A 11 2.439 8.026 8.999 1.00 0.00 C ATOM 0 H VAL A 11 0.306 6.249 8.659 1.00 0.00 H new ATOM 0 HA VAL A 11 2.777 5.930 7.160 1.00 0.00 H new ATOM 0 HB VAL A 11 2.328 6.239 10.155 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.668 7.010 10.168 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.524 5.341 9.568 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.782 6.680 8.423 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.837 8.626 9.818 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.872 8.365 8.058 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.355 8.137 8.961 1.00 0.00 H new ATOM 143 N VAL A 12 3.530 3.645 7.883 1.00 0.00 N ATOM 144 CA VAL A 12 3.851 2.245 8.133 1.00 0.00 C ATOM 145 C VAL A 12 5.258 2.097 8.703 1.00 0.00 C ATOM 146 O VAL A 12 6.241 2.090 7.962 1.00 0.00 O ATOM 147 CB VAL A 12 3.743 1.404 6.847 1.00 0.00 C ATOM 148 CG1 VAL A 12 3.754 -0.078 7.181 1.00 0.00 C ATOM 149 CG2 VAL A 12 2.489 1.772 6.067 1.00 0.00 C ATOM 0 H VAL A 12 4.189 4.126 7.271 1.00 0.00 H new ATOM 0 HA VAL A 12 3.125 1.881 8.860 1.00 0.00 H new ATOM 0 HB VAL A 12 4.607 1.621 6.219 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.677 -0.659 6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.684 -0.329 7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.909 -0.311 7.829 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.432 1.166 5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.609 1.587 6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.526 2.827 5.795 1.00 0.00 H new ATOM 159 N VAL A 13 5.348 1.977 10.023 1.00 0.00 N ATOM 160 CA VAL A 13 6.635 1.825 10.693 1.00 0.00 C ATOM 161 C VAL A 13 6.931 0.354 10.963 1.00 0.00 C ATOM 162 O VAL A 13 6.047 -0.492 10.859 1.00 0.00 O ATOM 163 CB VAL A 13 6.677 2.598 12.028 1.00 0.00 C ATOM 164 CG1 VAL A 13 8.114 2.821 12.474 1.00 0.00 C ATOM 165 CG2 VAL A 13 5.940 3.925 11.907 1.00 0.00 C ATOM 0 H VAL A 13 4.544 1.982 10.651 1.00 0.00 H new ATOM 0 HA VAL A 13 7.392 2.237 10.025 1.00 0.00 H new ATOM 0 HB VAL A 13 6.173 1.997 12.785 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.122 3.368 13.417 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.607 1.858 12.609 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.645 3.397 11.716 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.982 4.453 12.860 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.410 4.533 11.134 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.899 3.740 11.641 1.00 0.00 H new ATOM 175 N ALA A 14 8.177 0.052 11.311 1.00 0.00 N ATOM 176 CA ALA A 14 8.576 -1.322 11.595 1.00 0.00 C ATOM 177 C ALA A 14 7.662 -1.961 12.639 1.00 0.00 C ATOM 178 O ALA A 14 7.318 -3.138 12.540 1.00 0.00 O ATOM 179 CB ALA A 14 10.023 -1.364 12.064 1.00 0.00 C ATOM 0 H ALA A 14 8.926 0.738 11.403 1.00 0.00 H new ATOM 0 HA ALA A 14 8.485 -1.896 10.673 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.308 -2.395 12.273 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.670 -0.959 11.286 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.129 -0.768 12.970 1.00 0.00 H new ATOM 185 N LYS A 15 7.277 -1.175 13.640 1.00 0.00 N ATOM 186 CA LYS A 15 6.407 -1.662 14.707 1.00 0.00 C ATOM 187 C LYS A 15 4.928 -1.527 14.339 1.00 0.00 C ATOM 188 O LYS A 15 4.060 -2.045 15.042 1.00 0.00 O ATOM 189 CB LYS A 15 6.690 -0.899 16.004 1.00 0.00 C ATOM 190 CG LYS A 15 7.615 -1.639 16.955 1.00 0.00 C ATOM 191 CD LYS A 15 8.247 -0.694 17.964 1.00 0.00 C ATOM 192 CE LYS A 15 9.637 -0.260 17.526 1.00 0.00 C ATOM 193 NZ LYS A 15 9.610 1.038 16.799 1.00 0.00 N ATOM 0 H LYS A 15 7.554 -0.198 13.735 1.00 0.00 H new ATOM 0 HA LYS A 15 6.621 -2.721 14.850 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.132 0.067 15.759 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.746 -0.698 16.511 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.055 -2.413 17.480 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.397 -2.142 16.386 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.613 0.184 18.089 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.307 -1.184 18.936 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.282 -0.173 18.400 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.071 -1.027 16.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.622 0.862 15.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.746 1.559 17.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.443 1.601 17.063 1.00 0.00 H new ATOM 207 N ASN A 16 4.641 -0.825 13.246 1.00 0.00 N ATOM 208 CA ASN A 16 3.262 -0.627 12.810 1.00 0.00 C ATOM 209 C ASN A 16 2.905 -1.559 11.655 1.00 0.00 C ATOM 210 O ASN A 16 1.853 -2.199 11.664 1.00 0.00 O ATOM 211 CB ASN A 16 3.046 0.828 12.388 1.00 0.00 C ATOM 212 CG ASN A 16 1.751 1.401 12.930 1.00 0.00 C ATOM 213 OD1 ASN A 16 1.757 2.212 13.856 1.00 0.00 O ATOM 214 ND2 ASN A 16 0.632 0.980 12.353 1.00 0.00 N ATOM 0 H ASN A 16 5.341 -0.386 12.649 1.00 0.00 H new ATOM 0 HA ASN A 16 2.609 -0.861 13.651 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.882 1.433 12.738 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.041 0.891 11.300 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.271 1.330 12.675 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.675 0.307 11.588 1.00 0.00 H new ATOM 221 N TYR A 17 3.783 -1.623 10.660 1.00 0.00 N ATOM 222 CA TYR A 17 3.564 -2.467 9.489 1.00 0.00 C ATOM 223 C TYR A 17 3.117 -3.871 9.890 1.00 0.00 C ATOM 224 O TYR A 17 2.134 -4.383 9.374 1.00 0.00 O ATOM 225 CB TYR A 17 4.837 -2.527 8.632 1.00 0.00 C ATOM 226 CG TYR A 17 5.585 -3.842 8.710 1.00 0.00 C ATOM 227 CD1 TYR A 17 5.159 -4.944 7.980 1.00 0.00 C ATOM 228 CD2 TYR A 17 6.711 -3.979 9.511 1.00 0.00 C ATOM 229 CE1 TYR A 17 5.834 -6.147 8.046 1.00 0.00 C ATOM 230 CE2 TYR A 17 7.393 -5.180 9.581 1.00 0.00 C ATOM 231 CZ TYR A 17 6.950 -6.261 8.847 1.00 0.00 C ATOM 232 OH TYR A 17 7.626 -7.457 8.914 1.00 0.00 O ATOM 0 H TYR A 17 4.657 -1.098 10.641 1.00 0.00 H new ATOM 0 HA TYR A 17 2.763 -2.023 8.898 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.569 -2.337 7.593 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.506 -1.724 8.941 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.286 -4.859 7.350 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.059 -3.135 10.088 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.489 -6.995 7.473 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.268 -5.271 10.207 1.00 0.00 H new ATOM 0 HH TYR A 17 8.389 -7.368 9.522 1.00 0.00 H new ATOM 242 N ASN A 18 3.852 -4.491 10.803 1.00 0.00 N ATOM 243 CA ASN A 18 3.528 -5.840 11.259 1.00 0.00 C ATOM 244 C ASN A 18 2.065 -5.949 11.698 1.00 0.00 C ATOM 245 O ASN A 18 1.441 -7.000 11.551 1.00 0.00 O ATOM 246 CB ASN A 18 4.459 -6.249 12.407 1.00 0.00 C ATOM 247 CG ASN A 18 4.078 -5.623 13.739 1.00 0.00 C ATOM 248 OD1 ASN A 18 3.967 -4.299 13.767 1.00 0.00 O flip ATOM 249 ND2 ASN A 18 3.884 -6.324 14.732 1.00 0.00 N flip ATOM 0 H ASN A 18 4.677 -4.083 11.244 1.00 0.00 H new ATOM 0 HA ASN A 18 3.675 -6.520 10.420 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.447 -7.334 12.506 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.481 -5.963 12.157 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.980 -7.337 14.667 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.627 -5.891 15.619 1.00 0.00 H new ATOM 256 N GLU A 19 1.530 -4.864 12.246 1.00 0.00 N ATOM 257 CA GLU A 19 0.148 -4.847 12.718 1.00 0.00 C ATOM 258 C GLU A 19 -0.849 -4.765 11.563 1.00 0.00 C ATOM 259 O GLU A 19 -1.704 -5.635 11.408 1.00 0.00 O ATOM 260 CB GLU A 19 -0.069 -3.672 13.673 1.00 0.00 C ATOM 261 CG GLU A 19 -1.083 -3.959 14.769 1.00 0.00 C ATOM 262 CD GLU A 19 -0.929 -3.035 15.961 1.00 0.00 C ATOM 263 OE1 GLU A 19 -1.208 -1.826 15.815 1.00 0.00 O ATOM 264 OE2 GLU A 19 -0.530 -3.520 17.041 1.00 0.00 O ATOM 0 H GLU A 19 2.031 -3.985 12.375 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.028 -5.785 13.245 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.884 -3.406 14.131 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.400 -2.806 13.101 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.090 -3.858 14.363 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.974 -4.992 15.098 1.00 0.00 H new ATOM 271 N ILE A 20 -0.745 -3.706 10.766 1.00 0.00 N ATOM 272 CA ILE A 20 -1.652 -3.503 9.637 1.00 0.00 C ATOM 273 C ILE A 20 -1.643 -4.690 8.673 1.00 0.00 C ATOM 274 O ILE A 20 -2.696 -5.179 8.265 1.00 0.00 O ATOM 275 CB ILE A 20 -1.298 -2.217 8.861 1.00 0.00 C ATOM 276 CG1 ILE A 20 0.167 -2.241 8.411 1.00 0.00 C ATOM 277 CG2 ILE A 20 -1.579 -0.992 9.720 1.00 0.00 C ATOM 278 CD1 ILE A 20 0.630 -0.944 7.783 1.00 0.00 C ATOM 0 H ILE A 20 -0.043 -2.975 10.879 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.652 -3.407 10.059 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.923 -2.166 7.969 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.799 -2.464 9.271 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.305 -3.051 7.695 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.325 -0.091 9.162 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.636 -0.969 9.986 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.977 -1.038 10.628 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.676 -1.035 7.489 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.023 -0.729 6.903 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.525 -0.133 8.504 1.00 0.00 H new ATOM 290 N VAL A 21 -0.450 -5.141 8.312 1.00 0.00 N ATOM 291 CA VAL A 21 -0.288 -6.262 7.392 1.00 0.00 C ATOM 292 C VAL A 21 -0.879 -7.548 7.962 1.00 0.00 C ATOM 293 O VAL A 21 -1.470 -8.345 7.233 1.00 0.00 O ATOM 294 CB VAL A 21 1.201 -6.490 7.057 1.00 0.00 C ATOM 295 CG1 VAL A 21 1.805 -5.238 6.439 1.00 0.00 C ATOM 296 CG2 VAL A 21 1.978 -6.904 8.300 1.00 0.00 C ATOM 0 H VAL A 21 0.429 -4.744 8.645 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.828 -6.005 6.481 1.00 0.00 H new ATOM 0 HB VAL A 21 1.268 -7.300 6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.855 -5.416 6.209 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.270 -4.990 5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.723 -4.409 7.142 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.025 -7.059 8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.904 -6.120 9.053 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.562 -7.830 8.698 1.00 0.00 H new ATOM 306 N LEU A 22 -0.715 -7.749 9.266 1.00 0.00 N ATOM 307 CA LEU A 22 -1.233 -8.945 9.923 1.00 0.00 C ATOM 308 C LEU A 22 -2.742 -8.849 10.154 1.00 0.00 C ATOM 309 O LEU A 22 -3.383 -9.834 10.519 1.00 0.00 O ATOM 310 CB LEU A 22 -0.514 -9.167 11.255 1.00 0.00 C ATOM 311 CG LEU A 22 0.930 -9.661 11.137 1.00 0.00 C ATOM 312 CD1 LEU A 22 1.588 -9.718 12.507 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.972 -11.025 10.466 1.00 0.00 C ATOM 0 H LEU A 22 -0.229 -7.102 9.887 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.047 -9.794 9.265 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.517 -8.230 11.813 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.082 -9.889 11.841 1.00 0.00 H new ATOM 0 HG LEU A 22 1.486 -8.956 10.519 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.614 -10.071 12.403 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.590 -8.723 12.951 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.032 -10.401 13.149 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.006 -11.361 10.390 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.400 -11.740 11.058 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.540 -10.953 9.468 1.00 0.00 H new ATOM 325 N ASP A 23 -3.306 -7.661 9.941 1.00 0.00 N ATOM 326 CA ASP A 23 -4.738 -7.450 10.130 1.00 0.00 C ATOM 327 C ASP A 23 -5.551 -8.379 9.233 1.00 0.00 C ATOM 328 O ASP A 23 -5.657 -8.156 8.027 1.00 0.00 O ATOM 329 CB ASP A 23 -5.103 -5.993 9.840 1.00 0.00 C ATOM 330 CG ASP A 23 -6.157 -5.461 10.791 1.00 0.00 C ATOM 331 OD1 ASP A 23 -6.196 -5.921 11.951 1.00 0.00 O ATOM 332 OD2 ASP A 23 -6.942 -4.582 10.376 1.00 0.00 O ATOM 0 H ASP A 23 -2.794 -6.833 9.638 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.978 -7.678 11.169 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.208 -5.376 9.912 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.466 -5.909 8.816 1.00 0.00 H new ATOM 337 N ASP A 24 -6.120 -9.420 9.830 1.00 0.00 N ATOM 338 CA ASP A 24 -6.923 -10.386 9.085 1.00 0.00 C ATOM 339 C ASP A 24 -8.330 -9.855 8.822 1.00 0.00 C ATOM 340 O ASP A 24 -9.023 -10.334 7.924 1.00 0.00 O ATOM 341 CB ASP A 24 -7.001 -11.710 9.847 1.00 0.00 C ATOM 342 CG ASP A 24 -5.632 -12.308 10.106 1.00 0.00 C ATOM 343 OD1 ASP A 24 -4.976 -11.890 11.083 1.00 0.00 O ATOM 344 OD2 ASP A 24 -5.216 -13.195 9.332 1.00 0.00 O ATOM 0 H ASP A 24 -6.041 -9.618 10.828 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.437 -10.551 8.124 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.510 -11.550 10.797 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.603 -12.419 9.278 1.00 0.00 H new ATOM 349 N THR A 25 -8.750 -8.867 9.607 1.00 0.00 N ATOM 350 CA THR A 25 -10.078 -8.283 9.450 1.00 0.00 C ATOM 351 C THR A 25 -10.033 -7.028 8.581 1.00 0.00 C ATOM 352 O THR A 25 -10.926 -6.183 8.654 1.00 0.00 O ATOM 353 CB THR A 25 -10.674 -7.948 10.818 1.00 0.00 C ATOM 354 OG1 THR A 25 -11.970 -7.392 10.677 1.00 0.00 O ATOM 355 CG2 THR A 25 -9.837 -6.969 11.612 1.00 0.00 C ATOM 0 H THR A 25 -8.192 -8.455 10.355 1.00 0.00 H new ATOM 0 HA THR A 25 -10.710 -9.019 8.952 1.00 0.00 H new ATOM 0 HB THR A 25 -10.707 -8.894 11.359 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.937 -6.641 10.048 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.317 -6.775 12.571 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.846 -7.390 11.780 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.745 -6.035 11.057 1.00 0.00 H new ATOM 363 N LYS A 26 -8.994 -6.909 7.760 1.00 0.00 N ATOM 364 CA LYS A 26 -8.846 -5.753 6.882 1.00 0.00 C ATOM 365 C LYS A 26 -7.613 -5.894 5.993 1.00 0.00 C ATOM 366 O LYS A 26 -6.551 -6.317 6.448 1.00 0.00 O ATOM 367 CB LYS A 26 -8.753 -4.468 7.708 1.00 0.00 C ATOM 368 CG LYS A 26 -10.020 -3.629 7.671 1.00 0.00 C ATOM 369 CD LYS A 26 -9.947 -2.556 6.597 1.00 0.00 C ATOM 370 CE LYS A 26 -10.572 -1.252 7.069 1.00 0.00 C ATOM 371 NZ LYS A 26 -10.244 -0.118 6.161 1.00 0.00 N ATOM 0 H LYS A 26 -8.244 -7.596 7.684 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.726 -5.701 6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.528 -4.726 8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.920 -3.869 7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.879 -4.274 7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.177 -3.162 8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.906 -2.384 6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.459 -2.902 5.700 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.654 -1.369 7.128 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.221 -1.024 8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.510 0.779 6.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.223 -0.116 5.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.769 -0.224 5.270 1.00 0.00 H new ATOM 385 N ASP A 27 -7.762 -5.529 4.723 1.00 0.00 N ATOM 386 CA ASP A 27 -6.660 -5.607 3.770 1.00 0.00 C ATOM 387 C ASP A 27 -5.779 -4.366 3.867 1.00 0.00 C ATOM 388 O ASP A 27 -6.278 -3.253 4.030 1.00 0.00 O ATOM 389 CB ASP A 27 -7.198 -5.756 2.347 1.00 0.00 C ATOM 390 CG ASP A 27 -6.342 -6.675 1.497 1.00 0.00 C ATOM 391 OD1 ASP A 27 -5.123 -6.423 1.395 1.00 0.00 O ATOM 392 OD2 ASP A 27 -6.891 -7.645 0.934 1.00 0.00 O ATOM 0 H ASP A 27 -8.635 -5.176 4.330 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.058 -6.482 4.014 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.216 -6.145 2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.249 -4.774 1.877 1.00 0.00 H new ATOM 397 N VAL A 28 -4.468 -4.564 3.774 1.00 0.00 N ATOM 398 CA VAL A 28 -3.524 -3.456 3.859 1.00 0.00 C ATOM 399 C VAL A 28 -2.469 -3.536 2.760 1.00 0.00 C ATOM 400 O VAL A 28 -2.002 -4.621 2.408 1.00 0.00 O ATOM 401 CB VAL A 28 -2.822 -3.424 5.230 1.00 0.00 C ATOM 402 CG1 VAL A 28 -2.034 -2.133 5.400 1.00 0.00 C ATOM 403 CG2 VAL A 28 -3.837 -3.589 6.351 1.00 0.00 C ATOM 0 H VAL A 28 -4.036 -5.478 3.640 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.102 -2.541 3.730 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.121 -4.257 5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.546 -2.130 6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.280 -2.061 4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.711 -1.282 5.331 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.324 -3.564 7.313 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.564 -2.778 6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.351 -4.543 6.239 1.00 0.00 H new ATOM 413 N LEU A 29 -2.098 -2.378 2.222 1.00 0.00 N ATOM 414 CA LEU A 29 -1.097 -2.309 1.162 1.00 0.00 C ATOM 415 C LEU A 29 -0.003 -1.305 1.517 1.00 0.00 C ATOM 416 O LEU A 29 -0.273 -0.118 1.692 1.00 0.00 O ATOM 417 CB LEU A 29 -1.748 -1.920 -0.171 1.00 0.00 C ATOM 418 CG LEU A 29 -3.257 -2.163 -0.261 1.00 0.00 C ATOM 419 CD1 LEU A 29 -3.858 -1.370 -1.412 1.00 0.00 C ATOM 420 CD2 LEU A 29 -3.549 -3.647 -0.421 1.00 0.00 C ATOM 0 H LEU A 29 -2.476 -1.473 2.503 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.647 -3.296 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.556 -0.863 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.259 -2.477 -0.971 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.717 -1.821 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.931 -1.555 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.680 -0.306 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.394 -1.679 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.626 -3.801 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.077 -4.015 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.154 -4.190 0.437 1.00 0.00 H new ATOM 432 N ILE A 30 1.230 -1.788 1.621 1.00 0.00 N ATOM 433 CA ILE A 30 2.360 -0.926 1.954 1.00 0.00 C ATOM 434 C ILE A 30 3.309 -0.780 0.769 1.00 0.00 C ATOM 435 O ILE A 30 3.811 -1.770 0.236 1.00 0.00 O ATOM 436 CB ILE A 30 3.143 -1.468 3.168 1.00 0.00 C ATOM 437 CG1 ILE A 30 4.298 -0.526 3.525 1.00 0.00 C ATOM 438 CG2 ILE A 30 3.662 -2.869 2.883 1.00 0.00 C ATOM 439 CD1 ILE A 30 5.188 -1.047 4.634 1.00 0.00 C ATOM 0 H ILE A 30 1.473 -2.769 1.480 1.00 0.00 H new ATOM 0 HA ILE A 30 1.949 0.052 2.206 1.00 0.00 H new ATOM 0 HB ILE A 30 2.467 -1.520 4.021 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.904 -0.355 2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.889 0.439 3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.212 -3.237 3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.823 -3.533 2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.324 -2.843 2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.982 -0.327 4.831 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.596 -1.191 5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.627 -1.998 4.332 1.00 0.00 H new ATOM 451 N GLU A 31 3.551 0.463 0.361 1.00 0.00 N ATOM 452 CA GLU A 31 4.442 0.738 -0.762 1.00 0.00 C ATOM 453 C GLU A 31 5.716 1.434 -0.292 1.00 0.00 C ATOM 454 O GLU A 31 5.665 2.398 0.473 1.00 0.00 O ATOM 455 CB GLU A 31 3.731 1.601 -1.806 1.00 0.00 C ATOM 456 CG GLU A 31 4.462 1.671 -3.138 1.00 0.00 C ATOM 457 CD GLU A 31 3.666 1.061 -4.275 1.00 0.00 C ATOM 458 OE1 GLU A 31 2.775 0.231 -3.998 1.00 0.00 O ATOM 459 OE2 GLU A 31 3.934 1.412 -5.443 1.00 0.00 O ATOM 0 H GLU A 31 3.144 1.294 0.790 1.00 0.00 H new ATOM 0 HA GLU A 31 4.717 -0.215 -1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.729 1.205 -1.971 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.614 2.610 -1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.683 2.712 -3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.418 1.154 -3.051 1.00 0.00 H new ATOM 466 N PHE A 32 6.859 0.939 -0.757 1.00 0.00 N ATOM 467 CA PHE A 32 8.150 1.509 -0.389 1.00 0.00 C ATOM 468 C PHE A 32 8.697 2.384 -1.513 1.00 0.00 C ATOM 469 O PHE A 32 8.753 1.962 -2.668 1.00 0.00 O ATOM 470 CB PHE A 32 9.147 0.396 -0.062 1.00 0.00 C ATOM 471 CG PHE A 32 9.007 -0.145 1.332 1.00 0.00 C ATOM 472 CD1 PHE A 32 9.331 0.638 2.429 1.00 0.00 C ATOM 473 CD2 PHE A 32 8.548 -1.435 1.546 1.00 0.00 C ATOM 474 CE1 PHE A 32 9.201 0.143 3.713 1.00 0.00 C ATOM 475 CE2 PHE A 32 8.417 -1.935 2.827 1.00 0.00 C ATOM 476 CZ PHE A 32 8.743 -1.145 3.912 1.00 0.00 C ATOM 0 H PHE A 32 6.917 0.142 -1.391 1.00 0.00 H new ATOM 0 HA PHE A 32 8.007 2.131 0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.016 -0.419 -0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 32 10.160 0.776 -0.195 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.689 1.646 2.279 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.290 -2.057 0.701 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.457 0.763 4.560 1.00 0.00 H new ATOM 0 HE2 PHE A 32 8.060 -2.943 2.980 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.640 -1.534 4.914 1.00 0.00 H new ATOM 486 N TYR A 33 9.097 3.604 -1.168 1.00 0.00 N ATOM 487 CA TYR A 33 9.638 4.535 -2.151 1.00 0.00 C ATOM 488 C TYR A 33 10.612 5.513 -1.501 1.00 0.00 C ATOM 489 O TYR A 33 10.763 5.537 -0.280 1.00 0.00 O ATOM 490 CB TYR A 33 8.504 5.304 -2.833 1.00 0.00 C ATOM 491 CG TYR A 33 7.746 6.223 -1.901 1.00 0.00 C ATOM 492 CD1 TYR A 33 6.739 5.733 -1.079 1.00 0.00 C ATOM 493 CD2 TYR A 33 8.038 7.580 -1.844 1.00 0.00 C ATOM 494 CE1 TYR A 33 6.044 6.571 -0.226 1.00 0.00 C ATOM 495 CE2 TYR A 33 7.349 8.423 -0.994 1.00 0.00 C ATOM 496 CZ TYR A 33 6.353 7.914 -0.187 1.00 0.00 C ATOM 497 OH TYR A 33 5.663 8.750 0.660 1.00 0.00 O ATOM 0 H TYR A 33 9.057 3.970 -0.217 1.00 0.00 H new ATOM 0 HA TYR A 33 10.180 3.957 -2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.917 5.892 -3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.806 4.591 -3.273 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.495 4.681 -1.106 1.00 0.00 H new ATOM 0 HD2 TYR A 33 8.817 7.983 -2.475 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.263 6.175 0.406 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.589 9.475 -0.961 1.00 0.00 H new ATOM 0 HH TYR A 33 6.004 9.664 0.567 1.00 0.00 H new ATOM 507 N ALA A 34 11.271 6.321 -2.326 1.00 0.00 N ATOM 508 CA ALA A 34 12.228 7.303 -1.832 1.00 0.00 C ATOM 509 C ALA A 34 12.173 8.585 -2.659 1.00 0.00 C ATOM 510 O ALA A 34 11.934 8.543 -3.866 1.00 0.00 O ATOM 511 CB ALA A 34 13.635 6.722 -1.845 1.00 0.00 C ATOM 0 H ALA A 34 11.159 6.314 -3.340 1.00 0.00 H new ATOM 0 HA ALA A 34 11.961 7.552 -0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 34 14.339 7.466 -1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 34 13.670 5.839 -1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 34 13.904 6.444 -2.864 1.00 0.00 H new ATOM 517 N PRO A 35 12.394 9.747 -2.020 1.00 0.00 N ATOM 518 CA PRO A 35 12.366 11.042 -2.709 1.00 0.00 C ATOM 519 C PRO A 35 13.534 11.207 -3.676 1.00 0.00 C ATOM 520 O PRO A 35 13.366 11.704 -4.789 1.00 0.00 O ATOM 521 CB PRO A 35 12.468 12.058 -1.569 1.00 0.00 C ATOM 522 CG PRO A 35 13.136 11.321 -0.460 1.00 0.00 C ATOM 523 CD PRO A 35 12.687 9.891 -0.582 1.00 0.00 C ATOM 0 HA PRO A 35 11.471 11.158 -3.320 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.047 12.932 -1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.483 12.416 -1.269 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.220 11.397 -0.539 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.857 11.736 0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.463 9.197 -0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 35 11.807 9.693 0.029 1.00 0.00 H new ATOM 531 N TRP A 36 14.718 10.786 -3.242 1.00 0.00 N ATOM 532 CA TRP A 36 15.916 10.885 -4.069 1.00 0.00 C ATOM 533 C TRP A 36 15.974 9.760 -5.103 1.00 0.00 C ATOM 534 O TRP A 36 16.885 9.716 -5.930 1.00 0.00 O ATOM 535 CB TRP A 36 17.168 10.848 -3.192 1.00 0.00 C ATOM 536 CG TRP A 36 17.234 9.644 -2.304 1.00 0.00 C ATOM 537 CD1 TRP A 36 17.609 8.381 -2.662 1.00 0.00 C ATOM 538 CD2 TRP A 36 16.914 9.588 -0.909 1.00 0.00 C ATOM 539 NE1 TRP A 36 17.543 7.543 -1.575 1.00 0.00 N ATOM 540 CE2 TRP A 36 17.118 8.260 -0.487 1.00 0.00 C ATOM 541 CE3 TRP A 36 16.475 10.531 0.024 1.00 0.00 C ATOM 542 CZ2 TRP A 36 16.898 7.855 0.827 1.00 0.00 C ATOM 543 CZ3 TRP A 36 16.257 10.127 1.328 1.00 0.00 C ATOM 544 CH2 TRP A 36 16.469 8.799 1.719 1.00 0.00 C ATOM 0 H TRP A 36 14.874 10.373 -2.322 1.00 0.00 H new ATOM 0 HA TRP A 36 15.875 11.835 -4.602 1.00 0.00 H new ATOM 0 HB2 TRP A 36 18.051 10.869 -3.831 1.00 0.00 H new ATOM 0 HB3 TRP A 36 17.199 11.747 -2.576 1.00 0.00 H new ATOM 0 HD1 TRP A 36 17.913 8.084 -3.655 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.773 6.549 -1.577 1.00 0.00 H new ATOM 0 HE3 TRP A 36 16.309 11.557 -0.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 17.060 6.832 1.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 15.918 10.848 2.057 1.00 0.00 H new ATOM 0 HH2 TRP A 36 16.290 8.515 2.745 1.00 0.00 H new ATOM 555 N CYS A 37 15.003 8.850 -5.052 1.00 0.00 N ATOM 556 CA CYS A 37 14.955 7.728 -5.985 1.00 0.00 C ATOM 557 C CYS A 37 15.011 8.212 -7.432 1.00 0.00 C ATOM 558 O CYS A 37 15.776 7.690 -8.242 1.00 0.00 O ATOM 559 CB CYS A 37 13.679 6.905 -5.762 1.00 0.00 C ATOM 560 SG CYS A 37 13.374 5.639 -7.042 1.00 0.00 S ATOM 0 H CYS A 37 14.240 8.868 -4.375 1.00 0.00 H new ATOM 0 HA CYS A 37 15.826 7.100 -5.798 1.00 0.00 H new ATOM 0 HB2 CYS A 37 13.741 6.416 -4.790 1.00 0.00 H new ATOM 0 HB3 CYS A 37 12.825 7.582 -5.725 1.00 0.00 H new ATOM 565 N GLY A 38 14.180 9.196 -7.753 1.00 0.00 N ATOM 566 CA GLY A 38 14.136 9.715 -9.107 1.00 0.00 C ATOM 567 C GLY A 38 13.039 9.055 -9.917 1.00 0.00 C ATOM 568 O GLY A 38 12.313 9.718 -10.658 1.00 0.00 O ATOM 0 H GLY A 38 13.536 9.644 -7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.972 10.792 -9.080 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.098 9.551 -9.593 1.00 0.00 H new ATOM 572 N HIS A 39 12.914 7.741 -9.758 1.00 0.00 N ATOM 573 CA HIS A 39 11.894 6.971 -10.457 1.00 0.00 C ATOM 574 C HIS A 39 10.756 6.593 -9.506 1.00 0.00 C ATOM 575 O HIS A 39 9.777 5.968 -9.914 1.00 0.00 O ATOM 576 CB HIS A 39 12.509 5.706 -11.063 1.00 0.00 C ATOM 577 CG HIS A 39 12.419 5.653 -12.557 1.00 0.00 C ATOM 578 ND1 HIS A 39 11.252 5.360 -13.232 1.00 0.00 N ATOM 579 CD2 HIS A 39 13.360 5.857 -13.509 1.00 0.00 C ATOM 580 CE1 HIS A 39 11.480 5.386 -14.533 1.00 0.00 C ATOM 581 NE2 HIS A 39 12.751 5.685 -14.727 1.00 0.00 N ATOM 0 H HIS A 39 13.512 7.185 -9.146 1.00 0.00 H new ATOM 0 HA HIS A 39 11.487 7.589 -11.258 1.00 0.00 H new ATOM 0 HB2 HIS A 39 13.556 5.644 -10.768 1.00 0.00 H new ATOM 0 HB3 HIS A 39 12.008 4.833 -10.646 1.00 0.00 H new ATOM 0 HD2 HIS A 39 14.397 6.108 -13.341 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.751 5.195 -15.306 1.00 0.00 H new ATOM 0 HE2 HIS A 39 13.207 5.774 -15.635 1.00 0.00 H new ATOM 590 N CYS A 40 10.894 6.976 -8.237 1.00 0.00 N ATOM 591 CA CYS A 40 9.883 6.677 -7.230 1.00 0.00 C ATOM 592 C CYS A 40 9.152 7.944 -6.793 1.00 0.00 C ATOM 593 O CYS A 40 8.032 7.880 -6.287 1.00 0.00 O ATOM 594 CB CYS A 40 10.526 6.011 -6.013 1.00 0.00 C ATOM 595 SG CYS A 40 11.697 4.676 -6.418 1.00 0.00 S ATOM 0 H CYS A 40 11.698 7.495 -7.884 1.00 0.00 H new ATOM 0 HA CYS A 40 9.160 5.994 -7.676 1.00 0.00 H new ATOM 0 HB2 CYS A 40 11.047 6.771 -5.431 1.00 0.00 H new ATOM 0 HB3 CYS A 40 9.739 5.607 -5.377 1.00 0.00 H new ATOM 600 N LYS A 41 9.792 9.094 -6.988 1.00 0.00 N ATOM 601 CA LYS A 41 9.202 10.375 -6.609 1.00 0.00 C ATOM 602 C LYS A 41 7.771 10.500 -7.127 1.00 0.00 C ATOM 603 O LYS A 41 6.949 11.206 -6.541 1.00 0.00 O ATOM 604 CB LYS A 41 10.054 11.528 -7.143 1.00 0.00 C ATOM 605 CG LYS A 41 10.158 12.703 -6.183 1.00 0.00 C ATOM 606 CD LYS A 41 10.147 14.031 -6.924 1.00 0.00 C ATOM 607 CE LYS A 41 10.743 15.146 -6.079 1.00 0.00 C ATOM 608 NZ LYS A 41 9.933 16.393 -6.154 1.00 0.00 N ATOM 0 H LYS A 41 10.720 9.165 -7.406 1.00 0.00 H new ATOM 0 HA LYS A 41 9.175 10.423 -5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.056 11.158 -7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.631 11.876 -8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.328 12.672 -5.477 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.075 12.618 -5.600 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.711 13.936 -7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.124 14.288 -7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.810 14.819 -5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.759 15.352 -6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.373 17.128 -5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.890 16.720 -7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.970 16.203 -5.810 1.00 0.00 H new ATOM 622 N ALA A 42 7.478 9.809 -8.225 1.00 0.00 N ATOM 623 CA ALA A 42 6.146 9.842 -8.816 1.00 0.00 C ATOM 624 C ALA A 42 5.177 8.961 -8.032 1.00 0.00 C ATOM 625 O ALA A 42 3.976 9.226 -7.989 1.00 0.00 O ATOM 626 CB ALA A 42 6.204 9.400 -10.270 1.00 0.00 C ATOM 0 H ALA A 42 8.146 9.220 -8.723 1.00 0.00 H new ATOM 0 HA ALA A 42 5.781 10.868 -8.773 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.203 9.429 -10.699 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.858 10.070 -10.828 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.593 8.383 -10.326 1.00 0.00 H new ATOM 632 N LEU A 43 5.709 7.912 -7.412 1.00 0.00 N ATOM 633 CA LEU A 43 4.895 6.989 -6.629 1.00 0.00 C ATOM 634 C LEU A 43 4.280 7.693 -5.422 1.00 0.00 C ATOM 635 O LEU A 43 3.191 7.337 -4.972 1.00 0.00 O ATOM 636 CB LEU A 43 5.742 5.800 -6.167 1.00 0.00 C ATOM 637 CG LEU A 43 5.174 4.424 -6.518 1.00 0.00 C ATOM 638 CD1 LEU A 43 3.838 4.205 -5.825 1.00 0.00 C ATOM 639 CD2 LEU A 43 5.029 4.277 -8.026 1.00 0.00 C ATOM 0 H LEU A 43 6.702 7.680 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 43 4.086 6.627 -7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.735 5.889 -6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.865 5.860 -5.086 1.00 0.00 H new ATOM 0 HG LEU A 43 5.870 3.663 -6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.449 3.221 -6.087 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.974 4.266 -4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.132 4.971 -6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.624 3.292 -8.258 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.354 5.045 -8.403 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.005 4.388 -8.498 1.00 0.00 H new ATOM 651 N ALA A 44 4.988 8.690 -4.901 1.00 0.00 N ATOM 652 CA ALA A 44 4.516 9.441 -3.744 1.00 0.00 C ATOM 653 C ALA A 44 3.173 10.116 -4.025 1.00 0.00 C ATOM 654 O ALA A 44 2.175 9.823 -3.367 1.00 0.00 O ATOM 655 CB ALA A 44 5.554 10.474 -3.328 1.00 0.00 C ATOM 0 H ALA A 44 5.891 8.996 -5.262 1.00 0.00 H new ATOM 0 HA ALA A 44 4.368 8.737 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.190 11.028 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.486 9.970 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.731 11.164 -4.153 1.00 0.00 H new ATOM 661 N PRO A 45 3.130 11.034 -5.007 1.00 0.00 N ATOM 662 CA PRO A 45 1.899 11.749 -5.364 1.00 0.00 C ATOM 663 C PRO A 45 0.808 10.810 -5.867 1.00 0.00 C ATOM 664 O PRO A 45 -0.374 11.014 -5.590 1.00 0.00 O ATOM 665 CB PRO A 45 2.340 12.704 -6.479 1.00 0.00 C ATOM 666 CG PRO A 45 3.606 12.124 -7.009 1.00 0.00 C ATOM 667 CD PRO A 45 4.269 11.449 -5.844 1.00 0.00 C ATOM 0 HA PRO A 45 1.464 12.257 -4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.582 12.776 -7.259 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.498 13.712 -6.095 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.404 11.412 -7.810 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.247 12.901 -7.427 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.869 10.596 -6.160 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.935 12.127 -5.311 1.00 0.00 H new ATOM 675 N LYS A 46 1.209 9.782 -6.607 1.00 0.00 N ATOM 676 CA LYS A 46 0.260 8.815 -7.145 1.00 0.00 C ATOM 677 C LYS A 46 -0.441 8.056 -6.022 1.00 0.00 C ATOM 678 O LYS A 46 -1.584 7.623 -6.172 1.00 0.00 O ATOM 679 CB LYS A 46 0.975 7.832 -8.075 1.00 0.00 C ATOM 680 CG LYS A 46 0.847 8.185 -9.548 1.00 0.00 C ATOM 681 CD LYS A 46 2.125 7.869 -10.310 1.00 0.00 C ATOM 682 CE LYS A 46 2.365 8.867 -11.431 1.00 0.00 C ATOM 683 NZ LYS A 46 2.923 10.151 -10.923 1.00 0.00 N ATOM 0 H LYS A 46 2.183 9.597 -6.847 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.493 9.360 -7.714 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.031 7.796 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.571 6.833 -7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.015 7.632 -9.985 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.614 9.245 -9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.972 7.880 -9.624 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.064 6.863 -10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.052 8.436 -12.160 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.427 9.060 -11.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.675 10.479 -11.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.168 10.865 -10.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.316 10.006 -9.971 1.00 0.00 H new ATOM 697 N TYR A 47 0.249 7.901 -4.896 1.00 0.00 N ATOM 698 CA TYR A 47 -0.311 7.197 -3.749 1.00 0.00 C ATOM 699 C TYR A 47 -1.210 8.118 -2.930 1.00 0.00 C ATOM 700 O TYR A 47 -2.116 7.659 -2.235 1.00 0.00 O ATOM 701 CB TYR A 47 0.809 6.635 -2.870 1.00 0.00 C ATOM 702 CG TYR A 47 0.732 5.137 -2.677 1.00 0.00 C ATOM 703 CD1 TYR A 47 1.115 4.266 -3.690 1.00 0.00 C ATOM 704 CD2 TYR A 47 0.276 4.594 -1.482 1.00 0.00 C ATOM 705 CE1 TYR A 47 1.045 2.897 -3.517 1.00 0.00 C ATOM 706 CE2 TYR A 47 0.203 3.225 -1.303 1.00 0.00 C ATOM 707 CZ TYR A 47 0.588 2.382 -2.323 1.00 0.00 C ATOM 708 OH TYR A 47 0.517 1.019 -2.148 1.00 0.00 O ATOM 0 H TYR A 47 1.196 8.253 -4.754 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.916 6.370 -4.122 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.771 6.887 -3.316 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.773 7.121 -1.895 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.473 4.666 -4.627 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.026 5.252 -0.680 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.347 2.233 -4.314 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.154 2.818 -0.368 1.00 0.00 H new ATOM 0 HH TYR A 47 1.050 0.572 -2.838 1.00 0.00 H new ATOM 718 N GLU A 48 -0.956 9.421 -3.016 1.00 0.00 N ATOM 719 CA GLU A 48 -1.747 10.402 -2.283 1.00 0.00 C ATOM 720 C GLU A 48 -3.128 10.563 -2.912 1.00 0.00 C ATOM 721 O GLU A 48 -4.122 10.754 -2.211 1.00 0.00 O ATOM 722 CB GLU A 48 -1.027 11.751 -2.253 1.00 0.00 C ATOM 723 CG GLU A 48 -1.624 12.737 -1.262 1.00 0.00 C ATOM 724 CD GLU A 48 -1.151 14.158 -1.498 1.00 0.00 C ATOM 725 OE1 GLU A 48 -1.681 14.816 -2.418 1.00 0.00 O ATOM 726 OE2 GLU A 48 -0.251 14.614 -0.761 1.00 0.00 O ATOM 0 H GLU A 48 -0.210 9.820 -3.585 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.871 10.043 -1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.022 11.588 -2.004 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.054 12.190 -3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.711 12.703 -1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.360 12.433 -0.249 1.00 0.00 H new ATOM 733 N GLU A 49 -3.180 10.484 -4.238 1.00 0.00 N ATOM 734 CA GLU A 49 -4.438 10.619 -4.963 1.00 0.00 C ATOM 735 C GLU A 49 -5.298 9.371 -4.795 1.00 0.00 C ATOM 736 O GLU A 49 -6.439 9.448 -4.340 1.00 0.00 O ATOM 737 CB GLU A 49 -4.171 10.873 -6.448 1.00 0.00 C ATOM 738 CG GLU A 49 -5.406 11.300 -7.224 1.00 0.00 C ATOM 739 CD GLU A 49 -5.314 10.960 -8.698 1.00 0.00 C ATOM 740 OE1 GLU A 49 -4.195 11.012 -9.251 1.00 0.00 O ATOM 741 OE2 GLU A 49 -6.361 10.642 -9.301 1.00 0.00 O ATOM 0 H GLU A 49 -2.366 10.327 -4.832 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.978 11.470 -4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.407 11.644 -6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.766 9.966 -6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.284 10.816 -6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.548 12.375 -7.111 1.00 0.00 H new ATOM 748 N LEU A 50 -4.743 8.221 -5.165 1.00 0.00 N ATOM 749 CA LEU A 50 -5.460 6.956 -5.053 1.00 0.00 C ATOM 750 C LEU A 50 -5.837 6.673 -3.601 1.00 0.00 C ATOM 751 O LEU A 50 -6.836 6.008 -3.327 1.00 0.00 O ATOM 752 CB LEU A 50 -4.605 5.812 -5.611 1.00 0.00 C ATOM 753 CG LEU A 50 -5.121 4.403 -5.310 1.00 0.00 C ATOM 754 CD1 LEU A 50 -6.497 4.196 -5.924 1.00 0.00 C ATOM 755 CD2 LEU A 50 -4.143 3.357 -5.824 1.00 0.00 C ATOM 0 H LEU A 50 -3.800 8.139 -5.545 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.378 7.029 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.530 5.930 -6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.596 5.905 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.208 4.291 -4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.848 3.189 -5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.194 4.924 -5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.437 4.327 -7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.525 2.361 -5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.025 3.468 -6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.177 3.492 -5.337 1.00 0.00 H new ATOM 767 N GLY A 51 -5.031 7.182 -2.674 1.00 0.00 N ATOM 768 CA GLY A 51 -5.297 6.972 -1.263 1.00 0.00 C ATOM 769 C GLY A 51 -6.576 7.646 -0.807 1.00 0.00 C ATOM 770 O GLY A 51 -7.425 7.018 -0.175 1.00 0.00 O ATOM 0 H GLY A 51 -4.199 7.736 -2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.363 5.902 -1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.460 7.354 -0.678 1.00 0.00 H new ATOM 774 N ALA A 52 -6.715 8.928 -1.127 1.00 0.00 N ATOM 775 CA ALA A 52 -7.900 9.687 -0.746 1.00 0.00 C ATOM 776 C ALA A 52 -9.123 9.229 -1.534 1.00 0.00 C ATOM 777 O ALA A 52 -10.250 9.298 -1.045 1.00 0.00 O ATOM 778 CB ALA A 52 -7.662 11.175 -0.954 1.00 0.00 C ATOM 0 H ALA A 52 -6.021 9.463 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.094 9.505 0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.555 11.730 -0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.820 11.498 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.440 11.365 -2.004 1.00 0.00 H new ATOM 784 N LEU A 53 -8.891 8.762 -2.756 1.00 0.00 N ATOM 785 CA LEU A 53 -9.974 8.292 -3.613 1.00 0.00 C ATOM 786 C LEU A 53 -10.549 6.979 -3.093 1.00 0.00 C ATOM 787 O LEU A 53 -11.711 6.913 -2.691 1.00 0.00 O ATOM 788 CB LEU A 53 -9.473 8.111 -5.047 1.00 0.00 C ATOM 789 CG LEU A 53 -9.663 9.325 -5.958 1.00 0.00 C ATOM 790 CD1 LEU A 53 -8.531 9.416 -6.969 1.00 0.00 C ATOM 791 CD2 LEU A 53 -11.008 9.253 -6.666 1.00 0.00 C ATOM 0 H LEU A 53 -7.963 8.699 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.765 9.042 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.412 7.862 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.988 7.259 -5.491 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.646 10.224 -5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.683 10.286 -7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.581 9.514 -6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.516 8.514 -7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.127 10.124 -7.310 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.053 8.347 -7.270 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.808 9.237 -5.926 1.00 0.00 H new ATOM 803 N TYR A 54 -9.728 5.934 -3.105 1.00 0.00 N ATOM 804 CA TYR A 54 -10.152 4.619 -2.637 1.00 0.00 C ATOM 805 C TYR A 54 -10.629 4.681 -1.189 1.00 0.00 C ATOM 806 O TYR A 54 -11.506 3.920 -0.781 1.00 0.00 O ATOM 807 CB TYR A 54 -9.004 3.616 -2.770 1.00 0.00 C ATOM 808 CG TYR A 54 -9.412 2.307 -3.408 1.00 0.00 C ATOM 809 CD1 TYR A 54 -10.242 2.284 -4.522 1.00 0.00 C ATOM 810 CD2 TYR A 54 -8.967 1.094 -2.897 1.00 0.00 C ATOM 811 CE1 TYR A 54 -10.617 1.090 -5.108 1.00 0.00 C ATOM 812 CE2 TYR A 54 -9.337 -0.104 -3.477 1.00 0.00 C ATOM 813 CZ TYR A 54 -10.162 -0.101 -4.582 1.00 0.00 C ATOM 814 OH TYR A 54 -10.533 -1.292 -5.163 1.00 0.00 O ATOM 0 H TYR A 54 -8.763 5.972 -3.434 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.986 4.291 -3.257 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.207 4.066 -3.362 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.592 3.415 -1.781 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -10.600 3.215 -4.937 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.321 1.088 -2.032 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.263 1.089 -5.973 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -8.982 -1.038 -3.067 1.00 0.00 H new ATOM 0 HH TYR A 54 -10.126 -2.036 -4.672 1.00 0.00 H new ATOM 824 N ALA A 55 -10.045 5.592 -0.417 1.00 0.00 N ATOM 825 CA ALA A 55 -10.410 5.752 0.985 1.00 0.00 C ATOM 826 C ALA A 55 -11.805 6.353 1.123 1.00 0.00 C ATOM 827 O ALA A 55 -12.542 6.031 2.055 1.00 0.00 O ATOM 828 CB ALA A 55 -9.387 6.620 1.701 1.00 0.00 C ATOM 0 H ALA A 55 -9.317 6.230 -0.739 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.420 4.765 1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.672 6.731 2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.405 6.150 1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.349 7.602 1.229 1.00 0.00 H new ATOM 834 N LYS A 56 -12.160 7.229 0.189 1.00 0.00 N ATOM 835 CA LYS A 56 -13.467 7.876 0.205 1.00 0.00 C ATOM 836 C LYS A 56 -14.434 7.173 -0.743 1.00 0.00 C ATOM 837 O LYS A 56 -15.267 7.814 -1.383 1.00 0.00 O ATOM 838 CB LYS A 56 -13.333 9.351 -0.183 1.00 0.00 C ATOM 839 CG LYS A 56 -14.214 10.278 0.638 1.00 0.00 C ATOM 840 CD LYS A 56 -13.428 10.956 1.749 1.00 0.00 C ATOM 841 CE LYS A 56 -14.246 11.062 3.026 1.00 0.00 C ATOM 842 NZ LYS A 56 -14.169 9.817 3.839 1.00 0.00 N ATOM 0 H LYS A 56 -11.561 7.507 -0.588 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.867 7.809 1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.293 9.655 -0.068 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.583 9.465 -1.238 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -14.653 11.035 -0.012 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.039 9.710 1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.515 10.393 1.946 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.125 11.952 1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.888 11.905 3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.286 11.268 2.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.740 9.929 4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.534 9.017 3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.179 9.634 4.101 1.00 0.00 H new ATOM 856 N SER A 57 -14.315 5.852 -0.828 1.00 0.00 N ATOM 857 CA SER A 57 -15.178 5.061 -1.698 1.00 0.00 C ATOM 858 C SER A 57 -16.007 4.070 -0.888 1.00 0.00 C ATOM 859 O SER A 57 -15.950 4.056 0.342 1.00 0.00 O ATOM 860 CB SER A 57 -14.342 4.314 -2.738 1.00 0.00 C ATOM 861 OG SER A 57 -15.164 3.543 -3.596 1.00 0.00 O ATOM 0 H SER A 57 -13.630 5.307 -0.305 1.00 0.00 H new ATOM 0 HA SER A 57 -15.858 5.742 -2.210 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.766 5.028 -3.326 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.626 3.664 -2.235 1.00 0.00 H new ATOM 0 HG SER A 57 -15.864 4.113 -3.977 1.00 0.00 H new ATOM 867 N GLU A 58 -16.778 3.241 -1.586 1.00 0.00 N ATOM 868 CA GLU A 58 -17.619 2.245 -0.932 1.00 0.00 C ATOM 869 C GLU A 58 -16.770 1.188 -0.233 1.00 0.00 C ATOM 870 O GLU A 58 -17.192 0.596 0.761 1.00 0.00 O ATOM 871 CB GLU A 58 -18.544 1.580 -1.952 1.00 0.00 C ATOM 872 CG GLU A 58 -19.643 2.496 -2.464 1.00 0.00 C ATOM 873 CD GLU A 58 -20.988 2.208 -1.826 1.00 0.00 C ATOM 874 OE1 GLU A 58 -21.280 1.021 -1.568 1.00 0.00 O ATOM 875 OE2 GLU A 58 -21.748 3.168 -1.583 1.00 0.00 O ATOM 0 H GLU A 58 -16.837 3.240 -2.604 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.223 2.754 -0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -17.949 1.232 -2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -18.998 0.699 -1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -19.367 3.532 -2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.727 2.387 -3.545 1.00 0.00 H new ATOM 882 N PHE A 59 -15.572 0.953 -0.760 1.00 0.00 N ATOM 883 CA PHE A 59 -14.665 -0.034 -0.186 1.00 0.00 C ATOM 884 C PHE A 59 -13.653 0.629 0.743 1.00 0.00 C ATOM 885 O PHE A 59 -12.484 0.245 0.779 1.00 0.00 O ATOM 886 CB PHE A 59 -13.936 -0.793 -1.296 1.00 0.00 C ATOM 887 CG PHE A 59 -14.839 -1.244 -2.409 1.00 0.00 C ATOM 888 CD1 PHE A 59 -16.030 -1.895 -2.131 1.00 0.00 C ATOM 889 CD2 PHE A 59 -14.497 -1.016 -3.732 1.00 0.00 C ATOM 890 CE1 PHE A 59 -16.863 -2.311 -3.152 1.00 0.00 C ATOM 891 CE2 PHE A 59 -15.326 -1.429 -4.758 1.00 0.00 C ATOM 892 CZ PHE A 59 -16.511 -2.077 -4.467 1.00 0.00 C ATOM 0 H PHE A 59 -15.207 1.433 -1.583 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.258 -0.738 0.398 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.155 -0.155 -1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.441 -1.664 -0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -16.311 -2.079 -1.105 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -13.572 -0.510 -3.964 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -17.788 -2.819 -2.922 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -15.048 -1.245 -5.785 1.00 0.00 H new ATOM 0 HZ PHE A 59 -17.161 -2.400 -5.267 1.00 0.00 H new ATOM 902 N LYS A 60 -14.109 1.627 1.493 1.00 0.00 N ATOM 903 CA LYS A 60 -13.243 2.344 2.422 1.00 0.00 C ATOM 904 C LYS A 60 -12.880 1.466 3.615 1.00 0.00 C ATOM 905 O LYS A 60 -11.755 1.514 4.114 1.00 0.00 O ATOM 906 CB LYS A 60 -13.926 3.624 2.905 1.00 0.00 C ATOM 907 CG LYS A 60 -15.264 3.381 3.584 1.00 0.00 C ATOM 908 CD LYS A 60 -15.874 4.678 4.093 1.00 0.00 C ATOM 909 CE LYS A 60 -17.372 4.541 4.311 1.00 0.00 C ATOM 910 NZ LYS A 60 -18.093 5.813 4.028 1.00 0.00 N ATOM 0 H LYS A 60 -15.074 1.958 1.476 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.326 2.607 1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.263 4.139 3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.075 4.289 2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.949 2.907 2.881 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.131 2.689 4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.394 4.965 5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.681 5.477 3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.762 3.752 3.668 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.563 4.237 5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -19.112 5.678 4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.739 6.560 4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.932 6.090 3.039 1.00 0.00 H new ATOM 924 N ASP A 61 -13.839 0.665 4.068 1.00 0.00 N ATOM 925 CA ASP A 61 -13.619 -0.224 5.204 1.00 0.00 C ATOM 926 C ASP A 61 -13.221 -1.625 4.743 1.00 0.00 C ATOM 927 O ASP A 61 -13.281 -2.581 5.516 1.00 0.00 O ATOM 928 CB ASP A 61 -14.879 -0.299 6.068 1.00 0.00 C ATOM 929 CG ASP A 61 -14.897 0.753 7.159 1.00 0.00 C ATOM 930 OD1 ASP A 61 -14.042 0.682 8.067 1.00 0.00 O ATOM 931 OD2 ASP A 61 -15.765 1.649 7.106 1.00 0.00 O ATOM 0 H ASP A 61 -14.775 0.613 3.667 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.800 0.185 5.795 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.758 -0.177 5.435 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.947 -1.288 6.520 1.00 0.00 H new ATOM 936 N ARG A 62 -12.814 -1.742 3.481 1.00 0.00 N ATOM 937 CA ARG A 62 -12.409 -3.029 2.927 1.00 0.00 C ATOM 938 C ARG A 62 -10.907 -3.059 2.659 1.00 0.00 C ATOM 939 O ARG A 62 -10.270 -4.107 2.757 1.00 0.00 O ATOM 940 CB ARG A 62 -13.175 -3.314 1.634 1.00 0.00 C ATOM 941 CG ARG A 62 -14.678 -3.433 1.831 1.00 0.00 C ATOM 942 CD ARG A 62 -15.318 -4.288 0.748 1.00 0.00 C ATOM 943 NE ARG A 62 -16.296 -5.224 1.297 1.00 0.00 N ATOM 944 CZ ARG A 62 -17.134 -5.942 0.553 1.00 0.00 C ATOM 945 NH1 ARG A 62 -17.116 -5.835 -0.770 1.00 0.00 N ATOM 946 NH2 ARG A 62 -17.992 -6.770 1.132 1.00 0.00 N ATOM 0 H ARG A 62 -12.756 -0.963 2.825 1.00 0.00 H new ATOM 0 HA ARG A 62 -12.644 -3.802 3.659 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.973 -2.517 0.918 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.800 -4.239 1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -14.884 -3.869 2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -15.126 -2.440 1.824 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -15.805 -3.643 0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -14.543 -4.842 0.218 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.339 -5.334 2.310 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -16.458 -5.200 -1.221 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -17.761 -6.388 -1.335 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -18.010 -6.857 2.148 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -18.634 -7.320 0.561 1.00 0.00 H new ATOM 960 N VAL A 63 -10.349 -1.901 2.321 1.00 0.00 N ATOM 961 CA VAL A 63 -8.922 -1.793 2.040 1.00 0.00 C ATOM 962 C VAL A 63 -8.367 -0.460 2.533 1.00 0.00 C ATOM 963 O VAL A 63 -9.104 0.517 2.669 1.00 0.00 O ATOM 964 CB VAL A 63 -8.636 -1.936 0.531 1.00 0.00 C ATOM 965 CG1 VAL A 63 -9.336 -0.837 -0.254 1.00 0.00 C ATOM 966 CG2 VAL A 63 -7.138 -1.921 0.265 1.00 0.00 C ATOM 0 H VAL A 63 -10.863 -1.024 2.235 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.428 -2.606 2.572 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.030 -2.896 0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.122 -0.956 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.412 -0.902 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.977 0.136 0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.957 -2.023 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.716 -0.980 0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.666 -2.750 0.793 1.00 0.00 H new ATOM 976 N VAL A 64 -7.065 -0.426 2.799 1.00 0.00 N ATOM 977 CA VAL A 64 -6.417 0.789 3.277 1.00 0.00 C ATOM 978 C VAL A 64 -5.100 1.037 2.548 1.00 0.00 C ATOM 979 O VAL A 64 -4.205 0.190 2.552 1.00 0.00 O ATOM 980 CB VAL A 64 -6.154 0.726 4.795 1.00 0.00 C ATOM 981 CG1 VAL A 64 -5.209 -0.418 5.130 1.00 0.00 C ATOM 982 CG2 VAL A 64 -5.599 2.051 5.297 1.00 0.00 C ATOM 0 H VAL A 64 -6.439 -1.225 2.692 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.099 1.613 3.070 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.102 0.541 5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -5.037 -0.444 6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.652 -1.361 4.810 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.260 -0.269 4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.420 1.987 6.370 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.662 2.270 4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.317 2.846 5.096 1.00 0.00 H new ATOM 992 N ILE A 65 -4.988 2.207 1.926 1.00 0.00 N ATOM 993 CA ILE A 65 -3.782 2.574 1.195 1.00 0.00 C ATOM 994 C ILE A 65 -2.737 3.167 2.134 1.00 0.00 C ATOM 995 O ILE A 65 -2.870 4.303 2.589 1.00 0.00 O ATOM 996 CB ILE A 65 -4.088 3.591 0.079 1.00 0.00 C ATOM 997 CG1 ILE A 65 -5.303 3.142 -0.735 1.00 0.00 C ATOM 998 CG2 ILE A 65 -2.874 3.770 -0.821 1.00 0.00 C ATOM 999 CD1 ILE A 65 -5.076 1.858 -1.503 1.00 0.00 C ATOM 0 H ILE A 65 -5.720 2.917 1.914 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.392 1.661 0.745 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.320 4.552 0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.151 3.009 -0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.573 3.932 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.105 4.491 -1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.033 4.133 -0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.613 2.814 -1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.979 1.601 -2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.249 1.992 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.836 1.055 -0.806 1.00 0.00 H new ATOM 1011 N ALA A 66 -1.699 2.390 2.422 1.00 0.00 N ATOM 1012 CA ALA A 66 -0.633 2.837 3.309 1.00 0.00 C ATOM 1013 C ALA A 66 0.661 3.085 2.541 1.00 0.00 C ATOM 1014 O ALA A 66 1.146 2.213 1.818 1.00 0.00 O ATOM 1015 CB ALA A 66 -0.404 1.817 4.414 1.00 0.00 C ATOM 0 H ALA A 66 -1.574 1.447 2.054 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.943 3.781 3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.395 2.164 5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.320 1.695 4.992 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.123 0.860 3.974 1.00 0.00 H new ATOM 1021 N LYS A 67 1.218 4.280 2.708 1.00 0.00 N ATOM 1022 CA LYS A 67 2.459 4.645 2.036 1.00 0.00 C ATOM 1023 C LYS A 67 3.611 4.712 3.031 1.00 0.00 C ATOM 1024 O LYS A 67 3.410 5.010 4.209 1.00 0.00 O ATOM 1025 CB LYS A 67 2.303 5.991 1.326 1.00 0.00 C ATOM 1026 CG LYS A 67 1.907 7.127 2.256 1.00 0.00 C ATOM 1027 CD LYS A 67 2.674 8.401 1.941 1.00 0.00 C ATOM 1028 CE LYS A 67 3.077 9.137 3.208 1.00 0.00 C ATOM 1029 NZ LYS A 67 4.303 8.556 3.822 1.00 0.00 N ATOM 0 H LYS A 67 0.829 5.012 3.303 1.00 0.00 H new ATOM 0 HA LYS A 67 2.684 3.878 1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.243 6.245 0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.551 5.894 0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.837 7.314 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.095 6.835 3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.565 8.157 1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.059 9.053 1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.250 10.188 2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.258 9.098 3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.544 9.086 4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.131 7.560 4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.091 8.616 3.146 1.00 0.00 H new ATOM 1043 N VAL A 68 4.818 4.429 2.554 1.00 0.00 N ATOM 1044 CA VAL A 68 5.998 4.455 3.408 1.00 0.00 C ATOM 1045 C VAL A 68 7.278 4.480 2.580 1.00 0.00 C ATOM 1046 O VAL A 68 7.303 4.016 1.440 1.00 0.00 O ATOM 1047 CB VAL A 68 6.031 3.235 4.350 1.00 0.00 C ATOM 1048 CG1 VAL A 68 6.100 1.943 3.551 1.00 0.00 C ATOM 1049 CG2 VAL A 68 7.200 3.335 5.319 1.00 0.00 C ATOM 0 H VAL A 68 5.004 4.180 1.583 1.00 0.00 H new ATOM 0 HA VAL A 68 5.939 5.366 4.004 1.00 0.00 H new ATOM 0 HB VAL A 68 5.109 3.226 4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.122 1.094 4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.225 1.867 2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.002 1.941 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.205 2.464 5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.134 3.373 4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.099 4.240 5.918 1.00 0.00 H new ATOM 1059 N ASP A 69 8.341 5.021 3.165 1.00 0.00 N ATOM 1060 CA ASP A 69 9.628 5.101 2.486 1.00 0.00 C ATOM 1061 C ASP A 69 10.510 3.918 2.867 1.00 0.00 C ATOM 1062 O ASP A 69 10.453 3.429 3.996 1.00 0.00 O ATOM 1063 CB ASP A 69 10.333 6.412 2.835 1.00 0.00 C ATOM 1064 CG ASP A 69 9.756 7.597 2.086 1.00 0.00 C ATOM 1065 OD1 ASP A 69 9.478 7.456 0.876 1.00 0.00 O ATOM 1066 OD2 ASP A 69 9.580 8.665 2.708 1.00 0.00 O ATOM 0 H ASP A 69 8.336 5.410 4.108 1.00 0.00 H new ATOM 0 HA ASP A 69 9.450 5.071 1.411 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.253 6.590 3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.395 6.323 2.605 1.00 0.00 H new ATOM 1071 N ALA A 70 11.323 3.458 1.923 1.00 0.00 N ATOM 1072 CA ALA A 70 12.214 2.329 2.167 1.00 0.00 C ATOM 1073 C ALA A 70 13.437 2.754 2.976 1.00 0.00 C ATOM 1074 O ALA A 70 14.576 2.566 2.548 1.00 0.00 O ATOM 1075 CB ALA A 70 12.640 1.700 0.848 1.00 0.00 C ATOM 0 H ALA A 70 11.384 3.849 0.983 1.00 0.00 H new ATOM 0 HA ALA A 70 11.669 1.588 2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 70 13.305 0.859 1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.759 1.349 0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 70 13.162 2.441 0.243 1.00 0.00 H new ATOM 1081 N THR A 71 13.193 3.327 4.151 1.00 0.00 N ATOM 1082 CA THR A 71 14.272 3.777 5.022 1.00 0.00 C ATOM 1083 C THR A 71 13.983 3.415 6.478 1.00 0.00 C ATOM 1084 O THR A 71 14.543 4.012 7.397 1.00 0.00 O ATOM 1085 CB THR A 71 14.466 5.289 4.890 1.00 0.00 C ATOM 1086 OG1 THR A 71 13.489 5.987 5.641 1.00 0.00 O ATOM 1087 CG2 THR A 71 14.384 5.781 3.460 1.00 0.00 C ATOM 0 H THR A 71 12.257 3.490 4.521 1.00 0.00 H new ATOM 0 HA THR A 71 15.188 3.272 4.715 1.00 0.00 H new ATOM 0 HB THR A 71 15.469 5.485 5.268 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.631 6.952 5.545 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.530 6.861 3.438 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.158 5.298 2.864 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.405 5.539 3.048 1.00 0.00 H new ATOM 1095 N ALA A 72 13.103 2.438 6.679 1.00 0.00 N ATOM 1096 CA ALA A 72 12.737 2.003 8.021 1.00 0.00 C ATOM 1097 C ALA A 72 13.711 0.954 8.547 1.00 0.00 C ATOM 1098 O ALA A 72 14.686 0.607 7.880 1.00 0.00 O ATOM 1099 CB ALA A 72 11.317 1.458 8.027 1.00 0.00 C ATOM 0 H ALA A 72 12.631 1.933 5.929 1.00 0.00 H new ATOM 0 HA ALA A 72 12.788 2.868 8.683 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.055 1.136 9.035 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.627 2.237 7.704 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.250 0.609 7.346 1.00 0.00 H new ATOM 1105 N ASN A 73 13.440 0.454 9.749 1.00 0.00 N ATOM 1106 CA ASN A 73 14.293 -0.555 10.369 1.00 0.00 C ATOM 1107 C ASN A 73 13.530 -1.860 10.571 1.00 0.00 C ATOM 1108 O ASN A 73 12.300 -1.868 10.633 1.00 0.00 O ATOM 1109 CB ASN A 73 14.825 -0.050 11.712 1.00 0.00 C ATOM 1110 CG ASN A 73 15.236 1.410 11.664 1.00 0.00 C ATOM 1111 OD1 ASN A 73 14.252 2.301 11.654 1.00 0.00 O flip ATOM 1112 ND2 ASN A 73 16.424 1.732 11.637 1.00 0.00 N flip ATOM 0 H ASN A 73 12.637 0.731 10.313 1.00 0.00 H new ATOM 0 HA ASN A 73 15.134 -0.744 9.701 1.00 0.00 H new ATOM 0 HB2 ASN A 73 14.059 -0.183 12.476 1.00 0.00 H new ATOM 0 HB3 ASN A 73 15.681 -0.655 12.010 1.00 0.00 H new ATOM 0 HD21 ASN A 73 17.148 1.013 11.646 1.00 0.00 H new ATOM 0 HD22 ASN A 73 16.685 2.718 11.606 1.00 0.00 H new ATOM 1119 N ASP A 74 14.266 -2.962 10.675 1.00 0.00 N ATOM 1120 CA ASP A 74 13.659 -4.274 10.873 1.00 0.00 C ATOM 1121 C ASP A 74 12.640 -4.578 9.777 1.00 0.00 C ATOM 1122 O ASP A 74 11.516 -4.994 10.057 1.00 0.00 O ATOM 1123 CB ASP A 74 12.988 -4.346 12.246 1.00 0.00 C ATOM 1124 CG ASP A 74 13.033 -5.741 12.840 1.00 0.00 C ATOM 1125 OD1 ASP A 74 12.429 -6.659 12.245 1.00 0.00 O ATOM 1126 OD2 ASP A 74 13.672 -5.915 13.899 1.00 0.00 O ATOM 0 H ASP A 74 15.285 -2.973 10.625 1.00 0.00 H new ATOM 0 HA ASP A 74 14.450 -5.023 10.823 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.480 -3.649 12.925 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.950 -4.025 12.157 1.00 0.00 H new ATOM 1131 N VAL A 75 13.042 -4.366 8.528 1.00 0.00 N ATOM 1132 CA VAL A 75 12.165 -4.617 7.390 1.00 0.00 C ATOM 1133 C VAL A 75 12.883 -5.433 6.314 1.00 0.00 C ATOM 1134 O VAL A 75 13.561 -4.877 5.450 1.00 0.00 O ATOM 1135 CB VAL A 75 11.655 -3.297 6.776 1.00 0.00 C ATOM 1136 CG1 VAL A 75 12.819 -2.425 6.331 1.00 0.00 C ATOM 1137 CG2 VAL A 75 10.709 -3.572 5.616 1.00 0.00 C ATOM 0 H VAL A 75 13.969 -4.021 8.278 1.00 0.00 H new ATOM 0 HA VAL A 75 11.312 -5.186 7.760 1.00 0.00 H new ATOM 0 HB VAL A 75 11.101 -2.756 7.543 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.437 -1.499 5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.449 -2.193 7.190 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.407 -2.957 5.583 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.362 -2.627 5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.233 -4.139 4.846 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.854 -4.147 5.972 1.00 0.00 H new ATOM 1147 N PRO A 76 12.743 -6.770 6.352 1.00 0.00 N ATOM 1148 CA PRO A 76 13.381 -7.659 5.376 1.00 0.00 C ATOM 1149 C PRO A 76 12.770 -7.525 3.985 1.00 0.00 C ATOM 1150 O PRO A 76 11.954 -8.349 3.572 1.00 0.00 O ATOM 1151 CB PRO A 76 13.122 -9.057 5.942 1.00 0.00 C ATOM 1152 CG PRO A 76 11.897 -8.907 6.775 1.00 0.00 C ATOM 1153 CD PRO A 76 11.952 -7.518 7.347 1.00 0.00 C ATOM 0 HA PRO A 76 14.438 -7.428 5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.972 -9.785 5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 76 13.966 -9.406 6.538 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.998 -9.046 6.175 1.00 0.00 H new ATOM 0 HG3 PRO A 76 11.870 -9.655 7.568 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.955 -7.094 7.469 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.426 -7.506 8.328 1.00 0.00 H new ATOM 1161 N ASP A 77 13.168 -6.479 3.268 1.00 0.00 N ATOM 1162 CA ASP A 77 12.658 -6.235 1.924 1.00 0.00 C ATOM 1163 C ASP A 77 13.762 -6.376 0.880 1.00 0.00 C ATOM 1164 O ASP A 77 14.739 -5.627 0.889 1.00 0.00 O ATOM 1165 CB ASP A 77 12.037 -4.839 1.839 1.00 0.00 C ATOM 1166 CG ASP A 77 13.022 -3.745 2.202 1.00 0.00 C ATOM 1167 OD1 ASP A 77 13.937 -4.014 3.009 1.00 0.00 O ATOM 1168 OD2 ASP A 77 12.878 -2.620 1.680 1.00 0.00 O ATOM 0 H ASP A 77 13.842 -5.787 3.595 1.00 0.00 H new ATOM 0 HA ASP A 77 11.893 -6.983 1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.667 -4.670 0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.177 -4.786 2.506 1.00 0.00 H new ATOM 1173 N GLU A 78 13.596 -7.339 -0.021 1.00 0.00 N ATOM 1174 CA GLU A 78 14.573 -7.579 -1.078 1.00 0.00 C ATOM 1175 C GLU A 78 13.932 -7.402 -2.451 1.00 0.00 C ATOM 1176 O GLU A 78 13.135 -8.233 -2.885 1.00 0.00 O ATOM 1177 CB GLU A 78 15.158 -8.988 -0.952 1.00 0.00 C ATOM 1178 CG GLU A 78 16.639 -9.065 -1.286 1.00 0.00 C ATOM 1179 CD GLU A 78 17.288 -10.333 -0.766 1.00 0.00 C ATOM 1180 OE1 GLU A 78 16.983 -10.730 0.378 1.00 0.00 O ATOM 1181 OE2 GLU A 78 18.102 -10.928 -1.503 1.00 0.00 O ATOM 0 H GLU A 78 12.793 -7.967 -0.040 1.00 0.00 H new ATOM 0 HA GLU A 78 15.378 -6.851 -0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.005 -9.346 0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.610 -9.660 -1.612 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.767 -9.012 -2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.149 -8.200 -0.862 1.00 0.00 H new ATOM 1188 N ILE A 79 14.278 -6.311 -3.126 1.00 0.00 N ATOM 1189 CA ILE A 79 13.726 -6.025 -4.445 1.00 0.00 C ATOM 1190 C ILE A 79 14.800 -5.531 -5.408 1.00 0.00 C ATOM 1191 O ILE A 79 15.861 -5.067 -4.988 1.00 0.00 O ATOM 1192 CB ILE A 79 12.601 -4.976 -4.365 1.00 0.00 C ATOM 1193 CG1 ILE A 79 13.150 -3.640 -3.846 1.00 0.00 C ATOM 1194 CG2 ILE A 79 11.466 -5.483 -3.485 1.00 0.00 C ATOM 1195 CD1 ILE A 79 13.527 -3.659 -2.379 1.00 0.00 C ATOM 0 H ILE A 79 14.936 -5.612 -2.782 1.00 0.00 H new ATOM 0 HA ILE A 79 13.317 -6.963 -4.822 1.00 0.00 H new ATOM 0 HB ILE A 79 12.204 -4.810 -5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.027 -3.366 -4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 79 12.403 -2.864 -4.009 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.678 -4.731 -3.438 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.063 -6.404 -3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.843 -5.677 -2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.906 -2.679 -2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.648 -3.900 -1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 79 14.298 -4.411 -2.211 1.00 0.00 H new ATOM 1207 N GLN A 80 14.515 -5.633 -6.703 1.00 0.00 N ATOM 1208 CA GLN A 80 15.452 -5.195 -7.731 1.00 0.00 C ATOM 1209 C GLN A 80 15.441 -3.675 -7.869 1.00 0.00 C ATOM 1210 O GLN A 80 16.480 -3.057 -8.104 1.00 0.00 O ATOM 1211 CB GLN A 80 15.113 -5.845 -9.074 1.00 0.00 C ATOM 1212 CG GLN A 80 13.639 -5.761 -9.439 1.00 0.00 C ATOM 1213 CD GLN A 80 13.407 -5.119 -10.793 1.00 0.00 C ATOM 1214 OE1 GLN A 80 14.192 -5.303 -11.723 1.00 0.00 O ATOM 1215 NE2 GLN A 80 12.324 -4.359 -10.909 1.00 0.00 N ATOM 0 H GLN A 80 13.642 -6.016 -7.065 1.00 0.00 H new ATOM 0 HA GLN A 80 16.452 -5.506 -7.429 1.00 0.00 H new ATOM 0 HB2 GLN A 80 15.700 -5.366 -9.858 1.00 0.00 H new ATOM 0 HB3 GLN A 80 15.412 -6.893 -9.046 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.211 -6.764 -9.439 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.112 -5.189 -8.675 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.701 -4.234 -10.111 1.00 0.00 H new ATOM 0 HE22 GLN A 80 12.116 -3.900 -11.796 1.00 0.00 H new ATOM 1224 N GLY A 81 14.262 -3.075 -7.721 1.00 0.00 N ATOM 1225 CA GLY A 81 14.147 -1.632 -7.832 1.00 0.00 C ATOM 1226 C GLY A 81 13.370 -1.021 -6.681 1.00 0.00 C ATOM 1227 O GLY A 81 12.393 -1.601 -6.206 1.00 0.00 O ATOM 0 H GLY A 81 13.387 -3.562 -7.527 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.144 -1.193 -7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.655 -1.381 -8.772 1.00 0.00 H new ATOM 1231 N PHE A 82 13.820 0.143 -6.219 1.00 0.00 N ATOM 1232 CA PHE A 82 13.190 0.836 -5.106 1.00 0.00 C ATOM 1233 C PHE A 82 11.703 0.814 -5.107 1.00 0.00 C ATOM 1234 O PHE A 82 11.103 0.620 -4.050 1.00 0.00 O ATOM 1235 CB PHE A 82 13.683 2.264 -5.027 1.00 0.00 C ATOM 1236 CG PHE A 82 14.600 2.443 -3.883 1.00 0.00 C ATOM 1237 CD1 PHE A 82 14.116 2.354 -2.595 1.00 0.00 C ATOM 1238 CD2 PHE A 82 15.941 2.659 -4.093 1.00 0.00 C ATOM 1239 CE1 PHE A 82 14.971 2.490 -1.520 1.00 0.00 C ATOM 1240 CE2 PHE A 82 16.801 2.790 -3.035 1.00 0.00 C ATOM 1241 CZ PHE A 82 16.321 2.709 -1.740 1.00 0.00 C ATOM 0 H PHE A 82 14.629 0.628 -6.606 1.00 0.00 H new ATOM 0 HA PHE A 82 13.489 0.274 -4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.194 2.528 -5.953 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.834 2.941 -4.927 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.064 2.177 -2.427 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.320 2.726 -5.102 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.589 2.426 -0.512 1.00 0.00 H new ATOM 0 HE2 PHE A 82 17.853 2.956 -3.212 1.00 0.00 H new ATOM 0 HZ PHE A 82 16.996 2.816 -0.904 1.00 0.00 H new ATOM 1251 N PRO A 83 11.058 1.043 -6.226 1.00 0.00 N ATOM 1252 CA PRO A 83 9.631 1.060 -6.208 1.00 0.00 C ATOM 1253 C PRO A 83 9.064 -0.304 -5.836 1.00 0.00 C ATOM 1254 O PRO A 83 8.682 -1.097 -6.696 1.00 0.00 O ATOM 1255 CB PRO A 83 9.231 1.480 -7.617 1.00 0.00 C ATOM 1256 CG PRO A 83 10.478 1.992 -8.262 1.00 0.00 C ATOM 1257 CD PRO A 83 11.626 1.337 -7.548 1.00 0.00 C ATOM 0 HA PRO A 83 9.236 1.744 -5.457 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.821 0.638 -8.174 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.460 2.250 -7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.493 1.750 -9.325 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.539 3.077 -8.181 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.956 0.432 -8.057 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.490 1.998 -7.480 1.00 0.00 H new ATOM 1265 N THR A 84 9.045 -0.565 -4.536 1.00 0.00 N ATOM 1266 CA THR A 84 8.565 -1.825 -3.998 1.00 0.00 C ATOM 1267 C THR A 84 7.074 -1.761 -3.676 1.00 0.00 C ATOM 1268 O THR A 84 6.572 -0.743 -3.201 1.00 0.00 O ATOM 1269 CB THR A 84 9.383 -2.174 -2.745 1.00 0.00 C ATOM 1270 OG1 THR A 84 10.448 -3.040 -3.079 1.00 0.00 O ATOM 1271 CG2 THR A 84 8.587 -2.844 -1.643 1.00 0.00 C ATOM 0 H THR A 84 9.363 0.094 -3.826 1.00 0.00 H new ATOM 0 HA THR A 84 8.695 -2.606 -4.748 1.00 0.00 H new ATOM 0 HB THR A 84 9.735 -1.214 -2.368 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.447 -3.203 -4.045 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.242 -3.055 -0.798 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.782 -2.183 -1.322 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.164 -3.777 -2.015 1.00 0.00 H new ATOM 1279 N ILE A 85 6.377 -2.863 -3.931 1.00 0.00 N ATOM 1280 CA ILE A 85 4.947 -2.946 -3.662 1.00 0.00 C ATOM 1281 C ILE A 85 4.614 -4.240 -2.929 1.00 0.00 C ATOM 1282 O ILE A 85 4.654 -5.323 -3.514 1.00 0.00 O ATOM 1283 CB ILE A 85 4.116 -2.876 -4.959 1.00 0.00 C ATOM 1284 CG1 ILE A 85 4.715 -1.853 -5.927 1.00 0.00 C ATOM 1285 CG2 ILE A 85 2.670 -2.527 -4.641 1.00 0.00 C ATOM 1286 CD1 ILE A 85 3.984 -1.772 -7.250 1.00 0.00 C ATOM 0 H ILE A 85 6.781 -3.713 -4.325 1.00 0.00 H new ATOM 0 HA ILE A 85 4.691 -2.090 -3.038 1.00 0.00 H new ATOM 0 HB ILE A 85 4.139 -3.855 -5.439 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.706 -0.870 -5.456 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.758 -2.108 -6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.095 -2.481 -5.566 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.247 -3.290 -3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.631 -1.559 -4.141 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.463 -1.027 -7.885 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.015 -2.744 -7.743 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.947 -1.487 -7.076 1.00 0.00 H new ATOM 1298 N LYS A 86 4.290 -4.124 -1.646 1.00 0.00 N ATOM 1299 CA LYS A 86 3.956 -5.290 -0.836 1.00 0.00 C ATOM 1300 C LYS A 86 2.451 -5.384 -0.612 1.00 0.00 C ATOM 1301 O LYS A 86 1.809 -4.412 -0.215 1.00 0.00 O ATOM 1302 CB LYS A 86 4.682 -5.231 0.509 1.00 0.00 C ATOM 1303 CG LYS A 86 6.131 -4.782 0.402 1.00 0.00 C ATOM 1304 CD LYS A 86 6.994 -5.424 1.476 1.00 0.00 C ATOM 1305 CE LYS A 86 7.740 -6.635 0.941 1.00 0.00 C ATOM 1306 NZ LYS A 86 8.247 -7.505 2.037 1.00 0.00 N ATOM 0 H LYS A 86 4.251 -3.236 -1.145 1.00 0.00 H new ATOM 0 HA LYS A 86 4.281 -6.180 -1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.148 -4.549 1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.650 -6.217 0.973 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.521 -5.040 -0.582 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.184 -3.697 0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.709 -4.693 1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.368 -5.723 2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.078 -7.213 0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.576 -6.303 0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.456 -8.452 1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.114 -7.092 2.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.526 -7.580 2.782 1.00 0.00 H new ATOM 1320 N LEU A 87 1.894 -6.562 -0.872 1.00 0.00 N ATOM 1321 CA LEU A 87 0.463 -6.786 -0.702 1.00 0.00 C ATOM 1322 C LEU A 87 0.196 -7.780 0.425 1.00 0.00 C ATOM 1323 O LEU A 87 0.812 -8.845 0.486 1.00 0.00 O ATOM 1324 CB LEU A 87 -0.150 -7.297 -2.010 1.00 0.00 C ATOM 1325 CG LEU A 87 -1.348 -6.497 -2.522 1.00 0.00 C ATOM 1326 CD1 LEU A 87 -2.552 -6.699 -1.616 1.00 0.00 C ATOM 1327 CD2 LEU A 87 -0.998 -5.021 -2.628 1.00 0.00 C ATOM 0 H LEU A 87 2.412 -7.377 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.001 -5.836 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.622 -7.297 -2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.459 -8.333 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.604 -6.860 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.395 -6.122 -1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.817 -7.756 -1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.309 -6.364 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.863 -4.467 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.714 -4.643 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.166 -4.893 -3.320 1.00 0.00 H new ATOM 1339 N TYR A 88 -0.730 -7.422 1.311 1.00 0.00 N ATOM 1340 CA TYR A 88 -1.091 -8.278 2.436 1.00 0.00 C ATOM 1341 C TYR A 88 -2.608 -8.440 2.520 1.00 0.00 C ATOM 1342 O TYR A 88 -3.294 -7.620 3.130 1.00 0.00 O ATOM 1343 CB TYR A 88 -0.553 -7.691 3.741 1.00 0.00 C ATOM 1344 CG TYR A 88 0.922 -7.943 3.953 1.00 0.00 C ATOM 1345 CD1 TYR A 88 1.404 -9.230 4.159 1.00 0.00 C ATOM 1346 CD2 TYR A 88 1.834 -6.895 3.949 1.00 0.00 C ATOM 1347 CE1 TYR A 88 2.752 -9.465 4.355 1.00 0.00 C ATOM 1348 CE2 TYR A 88 3.183 -7.121 4.143 1.00 0.00 C ATOM 1349 CZ TYR A 88 3.637 -8.407 4.346 1.00 0.00 C ATOM 1350 OH TYR A 88 4.980 -8.637 4.540 1.00 0.00 O ATOM 0 H TYR A 88 -1.245 -6.542 1.271 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.644 -9.260 2.280 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.735 -6.616 3.749 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.110 -8.114 4.577 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.714 -10.061 4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.482 -5.886 3.791 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.110 -10.471 4.514 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.878 -6.295 4.136 1.00 0.00 H new ATOM 0 HH TYR A 88 5.466 -7.787 4.503 1.00 0.00 H new ATOM 1360 N PRO A 89 -3.153 -9.505 1.903 1.00 0.00 N ATOM 1361 CA PRO A 89 -4.595 -9.767 1.909 1.00 0.00 C ATOM 1362 C PRO A 89 -5.094 -10.243 3.268 1.00 0.00 C ATOM 1363 O PRO A 89 -4.414 -11.002 3.959 1.00 0.00 O ATOM 1364 CB PRO A 89 -4.758 -10.870 0.863 1.00 0.00 C ATOM 1365 CG PRO A 89 -3.448 -11.578 0.855 1.00 0.00 C ATOM 1366 CD PRO A 89 -2.407 -10.532 1.149 1.00 0.00 C ATOM 0 HA PRO A 89 -5.173 -8.868 1.695 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -5.572 -11.546 1.124 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -4.990 -10.455 -0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.428 -12.369 1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.265 -12.049 -0.111 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.583 -10.940 1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.977 -10.125 0.234 1.00 0.00 H new ATOM 1374 N ALA A 90 -6.286 -9.794 3.644 1.00 0.00 N ATOM 1375 CA ALA A 90 -6.877 -10.175 4.920 1.00 0.00 C ATOM 1376 C ALA A 90 -7.448 -11.587 4.857 1.00 0.00 C ATOM 1377 O ALA A 90 -8.386 -11.856 4.108 1.00 0.00 O ATOM 1378 CB ALA A 90 -7.956 -9.182 5.318 1.00 0.00 C ATOM 0 H ALA A 90 -6.862 -9.166 3.083 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.093 -10.162 5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.389 -9.479 6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.519 -8.188 5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -8.735 -9.166 4.556 1.00 0.00 H new ATOM 1384 N GLY A 91 -6.873 -12.485 5.650 1.00 0.00 N ATOM 1385 CA GLY A 91 -7.336 -13.860 5.670 1.00 0.00 C ATOM 1386 C GLY A 91 -6.354 -14.815 5.020 1.00 0.00 C ATOM 1387 O GLY A 91 -6.382 -16.017 5.287 1.00 0.00 O ATOM 0 H GLY A 91 -6.095 -12.285 6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.507 -14.167 6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.295 -13.924 5.155 1.00 0.00 H new ATOM 1391 N ALA A 92 -5.484 -14.285 4.164 1.00 0.00 N ATOM 1392 CA ALA A 92 -4.496 -15.110 3.479 1.00 0.00 C ATOM 1393 C ALA A 92 -3.147 -14.403 3.382 1.00 0.00 C ATOM 1394 O ALA A 92 -2.525 -14.372 2.321 1.00 0.00 O ATOM 1395 CB ALA A 92 -4.996 -15.493 2.095 1.00 0.00 C ATOM 0 H ALA A 92 -5.444 -13.293 3.930 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.353 -16.017 4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.248 -16.109 1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.926 -16.054 2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.173 -14.591 1.510 1.00 0.00 H new ATOM 1401 N LYS A 93 -2.698 -13.847 4.500 1.00 0.00 N ATOM 1402 CA LYS A 93 -1.417 -13.150 4.549 1.00 0.00 C ATOM 1403 C LYS A 93 -0.294 -14.124 4.899 1.00 0.00 C ATOM 1404 O LYS A 93 -0.469 -15.340 4.813 1.00 0.00 O ATOM 1405 CB LYS A 93 -1.473 -12.015 5.575 1.00 0.00 C ATOM 1406 CG LYS A 93 -1.795 -12.492 6.984 1.00 0.00 C ATOM 1407 CD LYS A 93 -2.707 -11.523 7.722 1.00 0.00 C ATOM 1408 CE LYS A 93 -3.963 -11.204 6.926 1.00 0.00 C ATOM 1409 NZ LYS A 93 -4.020 -9.769 6.531 1.00 0.00 N ATOM 0 H LYS A 93 -3.202 -13.865 5.387 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.214 -12.725 3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.515 -11.496 5.585 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.225 -11.290 5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.271 -13.471 6.935 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.869 -12.616 7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.987 -11.950 8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.165 -10.600 7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.995 -11.828 6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.842 -11.452 7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.835 -9.315 6.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.145 -9.292 6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.120 -9.697 5.498 1.00 0.00 H new ATOM 1423 N GLY A 94 0.856 -13.588 5.295 1.00 0.00 N ATOM 1424 CA GLY A 94 1.983 -14.431 5.649 1.00 0.00 C ATOM 1425 C GLY A 94 3.062 -14.436 4.585 1.00 0.00 C ATOM 1426 O GLY A 94 4.205 -14.807 4.853 1.00 0.00 O ATOM 0 H GLY A 94 1.027 -12.586 5.377 1.00 0.00 H new ATOM 0 HA2 GLY A 94 2.408 -14.086 6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.633 -15.450 5.811 1.00 0.00 H new ATOM 1430 N GLN A 95 2.705 -14.013 3.376 1.00 0.00 N ATOM 1431 CA GLN A 95 3.657 -13.962 2.274 1.00 0.00 C ATOM 1432 C GLN A 95 3.636 -12.585 1.607 1.00 0.00 C ATOM 1433 O GLN A 95 2.645 -12.204 0.984 1.00 0.00 O ATOM 1434 CB GLN A 95 3.359 -15.067 1.249 1.00 0.00 C ATOM 1435 CG GLN A 95 2.128 -14.818 0.386 1.00 0.00 C ATOM 1436 CD GLN A 95 0.860 -14.650 1.201 1.00 0.00 C ATOM 1437 OE1 GLN A 95 0.308 -15.622 1.716 1.00 0.00 O ATOM 1438 NE2 GLN A 95 0.392 -13.414 1.320 1.00 0.00 N ATOM 0 H GLN A 95 1.764 -13.701 3.136 1.00 0.00 H new ATOM 0 HA GLN A 95 4.656 -14.131 2.676 1.00 0.00 H new ATOM 0 HB2 GLN A 95 4.225 -15.183 0.598 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.230 -16.011 1.779 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.288 -13.924 -0.217 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.001 -15.650 -0.306 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.883 -12.638 0.876 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.458 -13.240 1.856 1.00 0.00 H new ATOM 1447 N PRO A 96 4.729 -11.810 1.733 1.00 0.00 N ATOM 1448 CA PRO A 96 4.815 -10.473 1.139 1.00 0.00 C ATOM 1449 C PRO A 96 4.758 -10.517 -0.383 1.00 0.00 C ATOM 1450 O PRO A 96 5.690 -10.990 -1.033 1.00 0.00 O ATOM 1451 CB PRO A 96 6.181 -9.947 1.604 1.00 0.00 C ATOM 1452 CG PRO A 96 6.576 -10.827 2.742 1.00 0.00 C ATOM 1453 CD PRO A 96 5.956 -12.164 2.464 1.00 0.00 C ATOM 0 HA PRO A 96 3.980 -9.843 1.445 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.915 -9.992 0.799 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.115 -8.905 1.917 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.661 -10.907 2.815 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.222 -10.422 3.690 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.613 -12.798 1.868 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.736 -12.707 3.383 1.00 0.00 H new ATOM 1461 N VAL A 97 3.661 -10.022 -0.948 1.00 0.00 N ATOM 1462 CA VAL A 97 3.497 -10.011 -2.396 1.00 0.00 C ATOM 1463 C VAL A 97 4.260 -8.846 -3.017 1.00 0.00 C ATOM 1464 O VAL A 97 3.843 -7.693 -2.915 1.00 0.00 O ATOM 1465 CB VAL A 97 2.012 -9.912 -2.794 1.00 0.00 C ATOM 1466 CG1 VAL A 97 1.849 -10.038 -4.301 1.00 0.00 C ATOM 1467 CG2 VAL A 97 1.194 -10.973 -2.072 1.00 0.00 C ATOM 0 H VAL A 97 2.878 -9.626 -0.429 1.00 0.00 H new ATOM 0 HA VAL A 97 3.899 -10.952 -2.772 1.00 0.00 H new ATOM 0 HB VAL A 97 1.641 -8.932 -2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.793 -9.965 -4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.400 -9.237 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.238 -11.002 -4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.148 -10.888 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.566 -11.963 -2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.282 -10.830 -0.995 1.00 0.00 H new ATOM 1477 N THR A 98 5.381 -9.156 -3.660 1.00 0.00 N ATOM 1478 CA THR A 98 6.205 -8.135 -4.295 1.00 0.00 C ATOM 1479 C THR A 98 5.843 -7.981 -5.768 1.00 0.00 C ATOM 1480 O THR A 98 5.750 -8.965 -6.502 1.00 0.00 O ATOM 1481 CB THR A 98 7.688 -8.486 -4.155 1.00 0.00 C ATOM 1482 OG1 THR A 98 7.864 -9.886 -4.031 1.00 0.00 O ATOM 1483 CG2 THR A 98 8.347 -7.831 -2.960 1.00 0.00 C ATOM 0 H THR A 98 5.739 -10.106 -3.755 1.00 0.00 H new ATOM 0 HA THR A 98 6.015 -7.187 -3.793 1.00 0.00 H new ATOM 0 HB THR A 98 8.161 -8.109 -5.062 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.819 -10.089 -3.944 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.397 -8.121 -2.919 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.273 -6.747 -3.052 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.846 -8.152 -2.047 1.00 0.00 H new ATOM 1491 N TYR A 99 5.638 -6.739 -6.193 1.00 0.00 N ATOM 1492 CA TYR A 99 5.285 -6.453 -7.578 1.00 0.00 C ATOM 1493 C TYR A 99 6.500 -6.579 -8.489 1.00 0.00 C ATOM 1494 O TYR A 99 7.596 -6.915 -8.040 1.00 0.00 O ATOM 1495 CB TYR A 99 4.699 -5.045 -7.697 1.00 0.00 C ATOM 1496 CG TYR A 99 3.207 -4.987 -7.467 1.00 0.00 C ATOM 1497 CD1 TYR A 99 2.629 -5.610 -6.368 1.00 0.00 C ATOM 1498 CD2 TYR A 99 2.377 -4.309 -8.350 1.00 0.00 C ATOM 1499 CE1 TYR A 99 1.265 -5.559 -6.156 1.00 0.00 C ATOM 1500 CE2 TYR A 99 1.011 -4.253 -8.144 1.00 0.00 C ATOM 1501 CZ TYR A 99 0.460 -4.879 -7.046 1.00 0.00 C ATOM 1502 OH TYR A 99 -0.900 -4.826 -6.837 1.00 0.00 O ATOM 0 H TYR A 99 5.710 -5.914 -5.598 1.00 0.00 H new ATOM 0 HA TYR A 99 4.538 -7.183 -7.890 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.194 -4.393 -6.978 1.00 0.00 H new ATOM 0 HB3 TYR A 99 4.920 -4.651 -8.689 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.256 -6.143 -5.668 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.805 -3.818 -9.211 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.831 -6.049 -5.297 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.379 -3.722 -8.840 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.156 -5.501 -6.174 1.00 0.00 H new ATOM 1512 N SER A 100 6.296 -6.299 -9.771 1.00 0.00 N ATOM 1513 CA SER A 100 7.371 -6.371 -10.751 1.00 0.00 C ATOM 1514 C SER A 100 7.811 -4.972 -11.169 1.00 0.00 C ATOM 1515 O SER A 100 8.957 -4.764 -11.570 1.00 0.00 O ATOM 1516 CB SER A 100 6.920 -7.166 -11.978 1.00 0.00 C ATOM 1517 OG SER A 100 7.264 -8.535 -11.853 1.00 0.00 O ATOM 0 H SER A 100 5.394 -6.020 -10.156 1.00 0.00 H new ATOM 0 HA SER A 100 8.218 -6.880 -10.292 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.841 -7.069 -12.102 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.383 -6.752 -12.874 1.00 0.00 H new ATOM 0 HG SER A 100 6.964 -9.022 -12.649 1.00 0.00 H new ATOM 1523 N GLY A 101 6.893 -4.014 -11.071 1.00 0.00 N ATOM 1524 CA GLY A 101 7.205 -2.646 -11.439 1.00 0.00 C ATOM 1525 C GLY A 101 6.040 -1.704 -11.216 1.00 0.00 C ATOM 1526 O GLY A 101 4.932 -1.951 -11.694 1.00 0.00 O ATOM 0 H GLY A 101 5.939 -4.162 -10.743 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.061 -2.303 -10.858 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.498 -2.614 -12.488 1.00 0.00 H new ATOM 1530 N SER A 102 6.288 -0.620 -10.488 1.00 0.00 N ATOM 1531 CA SER A 102 5.250 0.364 -10.203 1.00 0.00 C ATOM 1532 C SER A 102 5.205 1.437 -11.287 1.00 0.00 C ATOM 1533 O SER A 102 6.241 1.845 -11.812 1.00 0.00 O ATOM 1534 CB SER A 102 5.491 1.010 -8.838 1.00 0.00 C ATOM 1535 OG SER A 102 4.302 1.593 -8.332 1.00 0.00 O ATOM 0 H SER A 102 7.199 -0.401 -10.085 1.00 0.00 H new ATOM 0 HA SER A 102 4.290 -0.152 -10.188 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.859 0.260 -8.137 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.265 1.772 -8.925 1.00 0.00 H new ATOM 0 HG SER A 102 4.270 1.479 -7.359 1.00 0.00 H new ATOM 1541 N ARG A 103 4.000 1.890 -11.617 1.00 0.00 N ATOM 1542 CA ARG A 103 3.822 2.915 -12.638 1.00 0.00 C ATOM 1543 C ARG A 103 2.626 3.806 -12.316 1.00 0.00 C ATOM 1544 O ARG A 103 2.788 4.932 -11.846 1.00 0.00 O ATOM 1545 CB ARG A 103 3.638 2.269 -14.013 1.00 0.00 C ATOM 1546 CG ARG A 103 4.941 2.068 -14.770 1.00 0.00 C ATOM 1547 CD ARG A 103 4.690 1.634 -16.205 1.00 0.00 C ATOM 1548 NE ARG A 103 4.524 2.777 -17.100 1.00 0.00 N ATOM 1549 CZ ARG A 103 4.359 2.669 -18.417 1.00 0.00 C ATOM 1550 NH1 ARG A 103 4.337 1.474 -18.994 1.00 0.00 N ATOM 1551 NH2 ARG A 103 4.215 3.759 -19.158 1.00 0.00 N ATOM 0 H ARG A 103 3.132 1.563 -11.192 1.00 0.00 H new ATOM 0 HA ARG A 103 4.718 3.535 -12.653 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.147 1.304 -13.889 1.00 0.00 H new ATOM 0 HB3 ARG A 103 2.972 2.891 -14.611 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.513 2.996 -14.764 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.546 1.317 -14.262 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.523 1.021 -16.550 1.00 0.00 H new ATOM 0 HD3 ARG A 103 3.797 1.010 -16.244 1.00 0.00 H new ATOM 0 HE ARG A 103 4.535 3.712 -16.692 1.00 0.00 H new ATOM 0 HH11 ARG A 103 4.447 0.632 -18.428 1.00 0.00 H new ATOM 0 HH12 ARG A 103 4.210 1.397 -20.003 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.231 4.680 -18.719 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.089 3.677 -20.167 1.00 0.00 H new ATOM 1565 N THR A 104 1.425 3.295 -12.572 1.00 0.00 N ATOM 1566 CA THR A 104 0.203 4.047 -12.310 1.00 0.00 C ATOM 1567 C THR A 104 -0.633 3.369 -11.229 1.00 0.00 C ATOM 1568 O THR A 104 -0.522 2.163 -11.010 1.00 0.00 O ATOM 1569 CB THR A 104 -0.619 4.188 -13.592 1.00 0.00 C ATOM 1570 OG1 THR A 104 0.215 4.520 -14.688 1.00 0.00 O ATOM 1571 CG2 THR A 104 -1.697 5.246 -13.498 1.00 0.00 C ATOM 0 H THR A 104 1.273 2.364 -12.960 1.00 0.00 H new ATOM 0 HA THR A 104 0.486 5.039 -11.957 1.00 0.00 H new ATOM 0 HB THR A 104 -1.096 3.219 -13.738 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.329 4.604 -15.499 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.242 5.294 -14.440 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.386 4.993 -12.692 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.240 6.214 -13.293 1.00 0.00 H new ATOM 1579 N VAL A 105 -1.470 4.153 -10.558 1.00 0.00 N ATOM 1580 CA VAL A 105 -2.325 3.630 -9.499 1.00 0.00 C ATOM 1581 C VAL A 105 -3.411 2.719 -10.062 1.00 0.00 C ATOM 1582 O VAL A 105 -3.901 1.826 -9.373 1.00 0.00 O ATOM 1583 CB VAL A 105 -2.990 4.768 -8.702 1.00 0.00 C ATOM 1584 CG1 VAL A 105 -1.977 5.450 -7.796 1.00 0.00 C ATOM 1585 CG2 VAL A 105 -3.637 5.772 -9.644 1.00 0.00 C ATOM 0 H VAL A 105 -1.574 5.153 -10.729 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.683 3.054 -8.833 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.771 4.339 -8.074 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.466 6.251 -7.241 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.567 4.722 -7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.171 5.867 -8.400 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.102 6.569 -9.063 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.878 6.197 -10.300 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.396 5.271 -10.245 1.00 0.00 H new ATOM 1595 N GLU A 106 -3.786 2.950 -11.317 1.00 0.00 N ATOM 1596 CA GLU A 106 -4.817 2.148 -11.967 1.00 0.00 C ATOM 1597 C GLU A 106 -4.442 0.668 -11.963 1.00 0.00 C ATOM 1598 O GLU A 106 -5.304 -0.202 -11.837 1.00 0.00 O ATOM 1599 CB GLU A 106 -5.037 2.627 -13.403 1.00 0.00 C ATOM 1600 CG GLU A 106 -3.820 2.450 -14.298 1.00 0.00 C ATOM 1601 CD GLU A 106 -3.674 3.569 -15.310 1.00 0.00 C ATOM 1602 OE1 GLU A 106 -4.155 4.688 -15.032 1.00 0.00 O ATOM 1603 OE2 GLU A 106 -3.078 3.327 -16.381 1.00 0.00 O ATOM 0 H GLU A 106 -3.392 3.685 -11.903 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.743 2.270 -11.405 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.877 2.082 -13.834 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.315 3.681 -13.387 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.923 2.404 -13.681 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.895 1.498 -14.823 1.00 0.00 H new ATOM 1610 N ASP A 107 -3.150 0.391 -12.102 1.00 0.00 N ATOM 1611 CA ASP A 107 -2.660 -0.983 -12.113 1.00 0.00 C ATOM 1612 C ASP A 107 -2.681 -1.581 -10.710 1.00 0.00 C ATOM 1613 O ASP A 107 -2.830 -2.792 -10.543 1.00 0.00 O ATOM 1614 CB ASP A 107 -1.241 -1.035 -12.682 1.00 0.00 C ATOM 1615 CG ASP A 107 -0.967 -2.320 -13.439 1.00 0.00 C ATOM 1616 OD1 ASP A 107 -1.481 -3.378 -13.019 1.00 0.00 O ATOM 1617 OD2 ASP A 107 -0.239 -2.268 -14.452 1.00 0.00 O ATOM 0 H ASP A 107 -2.423 1.099 -12.209 1.00 0.00 H new ATOM 0 HA ASP A 107 -3.321 -1.573 -12.748 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.088 -0.185 -13.347 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.523 -0.936 -11.868 1.00 0.00 H new ATOM 1622 N LEU A 108 -2.528 -0.726 -9.703 1.00 0.00 N ATOM 1623 CA LEU A 108 -2.528 -1.172 -8.315 1.00 0.00 C ATOM 1624 C LEU A 108 -3.931 -1.566 -7.865 1.00 0.00 C ATOM 1625 O LEU A 108 -4.137 -2.650 -7.323 1.00 0.00 O ATOM 1626 CB LEU A 108 -1.979 -0.071 -7.405 1.00 0.00 C ATOM 1627 CG LEU A 108 -1.843 -0.458 -5.932 1.00 0.00 C ATOM 1628 CD1 LEU A 108 -0.631 -1.353 -5.725 1.00 0.00 C ATOM 1629 CD2 LEU A 108 -1.746 0.786 -5.062 1.00 0.00 C ATOM 0 H LEU A 108 -2.403 0.279 -9.823 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.886 -2.050 -8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.001 0.233 -7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.632 0.799 -7.478 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.733 -1.014 -5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.550 -1.618 -4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.742 -2.260 -6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.270 -0.824 -6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.650 0.492 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.874 1.369 -5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.645 1.389 -5.188 1.00 0.00 H new ATOM 1641 N ILE A 109 -4.893 -0.677 -8.091 1.00 0.00 N ATOM 1642 CA ILE A 109 -6.278 -0.929 -7.708 1.00 0.00 C ATOM 1643 C ILE A 109 -6.796 -2.223 -8.330 1.00 0.00 C ATOM 1644 O ILE A 109 -7.432 -3.035 -7.657 1.00 0.00 O ATOM 1645 CB ILE A 109 -7.195 0.238 -8.127 1.00 0.00 C ATOM 1646 CG1 ILE A 109 -8.645 -0.041 -7.716 1.00 0.00 C ATOM 1647 CG2 ILE A 109 -7.094 0.475 -9.626 1.00 0.00 C ATOM 1648 CD1 ILE A 109 -9.635 0.976 -8.243 1.00 0.00 C ATOM 0 H ILE A 109 -4.738 0.226 -8.539 1.00 0.00 H new ATOM 0 HA ILE A 109 -6.296 -1.023 -6.622 1.00 0.00 H new ATOM 0 HB ILE A 109 -6.866 1.141 -7.613 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.930 -1.031 -8.073 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.707 -0.064 -6.628 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -7.746 1.301 -9.908 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -6.064 0.720 -9.887 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -7.399 -0.426 -10.158 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -10.639 0.712 -7.911 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.376 1.965 -7.865 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.603 0.984 -9.333 1.00 0.00 H new ATOM 1660 N LYS A 110 -6.525 -2.408 -9.618 1.00 0.00 N ATOM 1661 CA LYS A 110 -6.969 -3.603 -10.328 1.00 0.00 C ATOM 1662 C LYS A 110 -6.448 -4.868 -9.651 1.00 0.00 C ATOM 1663 O LYS A 110 -7.205 -5.806 -9.397 1.00 0.00 O ATOM 1664 CB LYS A 110 -6.501 -3.559 -11.784 1.00 0.00 C ATOM 1665 CG LYS A 110 -7.332 -4.427 -12.715 1.00 0.00 C ATOM 1666 CD LYS A 110 -6.577 -4.753 -13.993 1.00 0.00 C ATOM 1667 CE LYS A 110 -6.950 -6.127 -14.526 1.00 0.00 C ATOM 1668 NZ LYS A 110 -7.008 -6.150 -16.013 1.00 0.00 N ATOM 0 H LYS A 110 -6.001 -1.747 -10.191 1.00 0.00 H new ATOM 0 HA LYS A 110 -8.059 -3.625 -10.303 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.533 -2.528 -12.136 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.461 -3.880 -11.833 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.604 -5.352 -12.206 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.261 -3.913 -12.961 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.794 -3.997 -14.748 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.504 -4.714 -13.803 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.222 -6.860 -14.180 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.918 -6.423 -14.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -7.265 -7.105 -16.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.721 -5.469 -16.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.078 -5.893 -16.401 1.00 0.00 H new ATOM 1682 N PHE A 111 -5.151 -4.888 -9.361 1.00 0.00 N ATOM 1683 CA PHE A 111 -4.530 -6.039 -8.716 1.00 0.00 C ATOM 1684 C PHE A 111 -5.173 -6.321 -7.360 1.00 0.00 C ATOM 1685 O PHE A 111 -5.592 -7.445 -7.083 1.00 0.00 O ATOM 1686 CB PHE A 111 -3.028 -5.804 -8.544 1.00 0.00 C ATOM 1687 CG PHE A 111 -2.182 -6.670 -9.433 1.00 0.00 C ATOM 1688 CD1 PHE A 111 -2.313 -6.607 -10.811 1.00 0.00 C ATOM 1689 CD2 PHE A 111 -1.256 -7.547 -8.890 1.00 0.00 C ATOM 1690 CE1 PHE A 111 -1.537 -7.403 -11.631 1.00 0.00 C ATOM 1691 CE2 PHE A 111 -0.477 -8.346 -9.706 1.00 0.00 C ATOM 1692 CZ PHE A 111 -0.618 -8.274 -11.078 1.00 0.00 C ATOM 0 H PHE A 111 -4.510 -4.121 -9.562 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.684 -6.908 -9.356 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.806 -4.757 -8.751 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.756 -5.988 -7.505 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.030 -5.928 -11.249 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.142 -7.607 -7.818 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.649 -7.345 -12.704 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.241 -9.026 -9.271 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.011 -8.898 -11.718 1.00 0.00 H new ATOM 1702 N ILE A 112 -5.247 -5.293 -6.518 1.00 0.00 N ATOM 1703 CA ILE A 112 -5.836 -5.428 -5.189 1.00 0.00 C ATOM 1704 C ILE A 112 -7.189 -6.132 -5.254 1.00 0.00 C ATOM 1705 O ILE A 112 -7.551 -6.886 -4.351 1.00 0.00 O ATOM 1706 CB ILE A 112 -6.010 -4.054 -4.508 1.00 0.00 C ATOM 1707 CG1 ILE A 112 -4.665 -3.329 -4.421 1.00 0.00 C ATOM 1708 CG2 ILE A 112 -6.616 -4.217 -3.121 1.00 0.00 C ATOM 1709 CD1 ILE A 112 -4.786 -1.822 -4.480 1.00 0.00 C ATOM 0 H ILE A 112 -4.906 -4.356 -6.733 1.00 0.00 H new ATOM 0 HA ILE A 112 -5.147 -6.031 -4.597 1.00 0.00 H new ATOM 0 HB ILE A 112 -6.690 -3.454 -5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.170 -3.610 -3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.026 -3.666 -5.237 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -6.731 -3.238 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -7.592 -4.696 -3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.960 -4.834 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.794 -1.374 -4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.253 -1.531 -5.421 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.398 -1.473 -3.648 1.00 0.00 H new ATOM 1721 N ALA A 113 -7.929 -5.885 -6.328 1.00 0.00 N ATOM 1722 CA ALA A 113 -9.236 -6.501 -6.508 1.00 0.00 C ATOM 1723 C ALA A 113 -9.095 -7.974 -6.874 1.00 0.00 C ATOM 1724 O ALA A 113 -9.952 -8.793 -6.542 1.00 0.00 O ATOM 1725 CB ALA A 113 -10.030 -5.763 -7.576 1.00 0.00 C ATOM 0 H ALA A 113 -7.646 -5.263 -7.086 1.00 0.00 H new ATOM 0 HA ALA A 113 -9.776 -6.434 -5.564 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -11.004 -6.237 -7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -10.167 -4.724 -7.275 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -9.489 -5.799 -8.521 1.00 0.00 H new ATOM 1731 N GLU A 114 -8.004 -8.305 -7.559 1.00 0.00 N ATOM 1732 CA GLU A 114 -7.746 -9.680 -7.969 1.00 0.00 C ATOM 1733 C GLU A 114 -7.163 -10.492 -6.816 1.00 0.00 C ATOM 1734 O GLU A 114 -7.596 -11.614 -6.553 1.00 0.00 O ATOM 1735 CB GLU A 114 -6.788 -9.707 -9.161 1.00 0.00 C ATOM 1736 CG GLU A 114 -7.310 -8.961 -10.377 1.00 0.00 C ATOM 1737 CD GLU A 114 -6.498 -9.242 -11.627 1.00 0.00 C ATOM 1738 OE1 GLU A 114 -5.280 -9.487 -11.500 1.00 0.00 O ATOM 1739 OE2 GLU A 114 -7.080 -9.217 -12.731 1.00 0.00 O ATOM 0 H GLU A 114 -7.285 -7.639 -7.841 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.695 -10.129 -8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.835 -9.273 -8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.593 -10.743 -9.437 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.349 -9.241 -10.552 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.299 -7.890 -10.174 1.00 0.00 H new ATOM 1746 N ASN A 115 -6.178 -9.919 -6.130 1.00 0.00 N ATOM 1747 CA ASN A 115 -5.538 -10.592 -5.006 1.00 0.00 C ATOM 1748 C ASN A 115 -6.370 -10.446 -3.736 1.00 0.00 C ATOM 1749 O ASN A 115 -6.406 -11.347 -2.898 1.00 0.00 O ATOM 1750 CB ASN A 115 -4.134 -10.030 -4.775 1.00 0.00 C ATOM 1751 CG ASN A 115 -4.134 -8.524 -4.611 1.00 0.00 C ATOM 1752 OD1 ASN A 115 -4.657 -7.993 -3.631 1.00 0.00 O ATOM 1753 ND2 ASN A 115 -3.546 -7.828 -5.575 1.00 0.00 N ATOM 0 H ASN A 115 -5.807 -8.991 -6.333 1.00 0.00 H new ATOM 0 HA ASN A 115 -5.462 -11.652 -5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -3.704 -10.490 -3.885 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -3.494 -10.301 -5.615 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -3.514 -6.810 -5.522 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -3.125 -8.311 -6.369 1.00 0.00 H new ATOM 1760 N GLY A 116 -7.035 -9.303 -3.600 1.00 0.00 N ATOM 1761 CA GLY A 116 -7.856 -9.057 -2.429 1.00 0.00 C ATOM 1762 C GLY A 116 -9.191 -9.771 -2.492 1.00 0.00 C ATOM 1763 O GLY A 116 -9.823 -9.831 -3.547 1.00 0.00 O ATOM 0 H GLY A 116 -7.020 -8.543 -4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -7.317 -9.380 -1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -8.026 -7.985 -2.328 1.00 0.00 H new ATOM 1767 N LYS A 117 -9.623 -10.312 -1.357 1.00 0.00 N ATOM 1768 CA LYS A 117 -10.893 -11.025 -1.284 1.00 0.00 C ATOM 1769 C LYS A 117 -12.060 -10.050 -1.158 1.00 0.00 C ATOM 1770 O LYS A 117 -13.183 -10.357 -1.557 1.00 0.00 O ATOM 1771 CB LYS A 117 -10.891 -11.992 -0.098 1.00 0.00 C ATOM 1772 CG LYS A 117 -11.640 -13.287 -0.367 1.00 0.00 C ATOM 1773 CD LYS A 117 -10.782 -14.277 -1.138 1.00 0.00 C ATOM 1774 CE LYS A 117 -9.969 -15.156 -0.202 1.00 0.00 C ATOM 1775 NZ LYS A 117 -8.563 -14.682 -0.075 1.00 0.00 N ATOM 0 H LYS A 117 -9.112 -10.270 -0.475 1.00 0.00 H new ATOM 0 HA LYS A 117 -11.016 -11.592 -2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.860 -12.227 0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -11.337 -11.497 0.765 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -11.950 -13.732 0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -12.547 -13.073 -0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.419 -14.902 -1.764 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.111 -13.736 -1.805 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -10.438 -15.169 0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -9.974 -16.182 -0.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -7.965 -15.458 0.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -8.216 -14.371 -1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -8.524 -13.886 0.593 1.00 0.00 H new ATOM 1789 N TYR A 118 -11.787 -8.874 -0.598 1.00 0.00 N ATOM 1790 CA TYR A 118 -12.814 -7.853 -0.417 1.00 0.00 C ATOM 1791 C TYR A 118 -13.507 -7.530 -1.738 1.00 0.00 C ATOM 1792 O TYR A 118 -14.676 -7.145 -1.758 1.00 0.00 O ATOM 1793 CB TYR A 118 -12.198 -6.583 0.172 1.00 0.00 C ATOM 1794 CG TYR A 118 -12.121 -6.590 1.683 1.00 0.00 C ATOM 1795 CD1 TYR A 118 -13.250 -6.356 2.457 1.00 0.00 C ATOM 1796 CD2 TYR A 118 -10.917 -6.830 2.334 1.00 0.00 C ATOM 1797 CE1 TYR A 118 -13.183 -6.361 3.837 1.00 0.00 C ATOM 1798 CE2 TYR A 118 -10.842 -6.838 3.714 1.00 0.00 C ATOM 1799 CZ TYR A 118 -11.977 -6.603 4.460 1.00 0.00 C ATOM 1800 OH TYR A 118 -11.906 -6.609 5.834 1.00 0.00 O ATOM 0 H TYR A 118 -10.862 -8.605 -0.262 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.560 -8.245 0.274 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -11.195 -6.454 -0.234 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -12.785 -5.722 -0.149 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -14.196 -6.167 1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -10.026 -7.013 1.752 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -14.070 -6.176 4.424 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.899 -7.027 4.205 1.00 0.00 H new ATOM 0 HH TYR A 118 -11.450 -7.423 6.134 1.00 0.00 H new