USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 678 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 93 LYS NZ :NH3+ 155:sc= -0.472 (180deg=-1.15!) USER MOD Set 1.2: A 97 GLN :FLIP amide:sc= -6.63! C(o=-11!,f=-7.1!) USER MOD Set 2.1: A 66 GLN :FLIP amide:sc= -0.145 F(o=-7.7,f=-5.8) USER MOD Set 2.2: A 76 ASN : amide:sc= -5.69! C(o=-5.8!,f=-13!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN :FLIP amide:sc= -15.1! C(o=-16!,f=-15!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -113:sc= -2.24! (180deg=-4.84!) USER MOD Single : A 20 GLN : amide:sc= -1.88 K(o=-1.9,f=-3.5!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -129:sc= -3.08! (180deg=-7.58!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -1:sc= 0.919 USER MOD Single : A 45 HIS :FLIP no HD1:sc= -14.3! C(o=-20!,f=-14!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -170:sc= -2.2 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 180:sc= -0.137 USER MOD Single : A 53 GLN : amide:sc= -4.6! C(o=-4.6!,f=-7!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.103) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 70 HIS : no HD1:sc= -5.57! C(o=-5.6!,f=-9.3!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 158:sc= -1.15 USER MOD Single : A 78 HIS : no HE2:sc= -28.5! C(o=-29!,f=-37!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.557 X(o=-0.56,f=-0.16) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 96 N VAL A 8 -8.240 -7.999 -7.394 1.00 0.00 N ATOM 97 CA VAL A 8 -7.155 -7.233 -6.816 1.00 0.00 C ATOM 98 C VAL A 8 -6.603 -6.251 -7.849 1.00 0.00 C ATOM 99 O VAL A 8 -6.764 -6.419 -9.042 1.00 0.00 O ATOM 100 CB VAL A 8 -6.043 -8.183 -6.368 1.00 0.00 C ATOM 101 CG1 VAL A 8 -6.649 -9.337 -5.568 1.00 0.00 C ATOM 102 CG2 VAL A 8 -5.322 -8.741 -7.597 1.00 0.00 C ATOM 0 HA VAL A 8 -7.528 -6.675 -5.957 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.333 -7.640 -5.744 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.857 -10.014 -5.249 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.163 -8.942 -4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.360 -9.879 -6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.530 -9.418 -7.278 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.033 -9.283 -8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.889 -7.920 -8.169 1.00 0.00 H new ATOM 112 N LEU A 9 -6.009 -5.190 -7.381 1.00 0.00 N ATOM 113 CA LEU A 9 -5.518 -4.170 -8.295 1.00 0.00 C ATOM 114 C LEU A 9 -4.006 -4.307 -8.569 1.00 0.00 C ATOM 115 O LEU A 9 -3.600 -4.268 -9.714 1.00 0.00 O ATOM 116 CB LEU A 9 -5.796 -2.788 -7.702 1.00 0.00 C ATOM 117 CG LEU A 9 -5.274 -1.711 -8.655 1.00 0.00 C ATOM 118 CD1 LEU A 9 -5.847 -1.947 -10.053 1.00 0.00 C ATOM 119 CD2 LEU A 9 -5.707 -0.332 -8.153 1.00 0.00 C ATOM 0 H LEU A 9 -5.850 -5.000 -6.392 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.039 -4.299 -9.244 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.866 -2.658 -7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.313 -2.694 -6.729 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.186 -1.758 -8.695 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.476 -1.180 -10.733 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.539 -2.929 -10.411 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.935 -1.900 -10.013 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.335 0.436 -8.832 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.795 -0.285 -8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.299 -0.163 -7.156 1.00 0.00 H new ATOM 131 N LEU A 10 -3.152 -4.461 -7.586 1.00 0.00 N ATOM 132 CA LEU A 10 -1.740 -4.579 -7.927 1.00 0.00 C ATOM 133 C LEU A 10 -0.963 -5.242 -6.796 1.00 0.00 C ATOM 134 O LEU A 10 -1.227 -5.024 -5.633 1.00 0.00 O ATOM 135 CB LEU A 10 -1.159 -3.192 -8.201 1.00 0.00 C ATOM 136 CG LEU A 10 0.367 -3.272 -8.269 1.00 0.00 C ATOM 137 CD1 LEU A 10 0.857 -2.614 -9.560 1.00 0.00 C ATOM 138 CD2 LEU A 10 0.968 -2.542 -7.067 1.00 0.00 C ATOM 0 H LEU A 10 -3.382 -4.507 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.652 -5.199 -8.819 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.554 -2.801 -9.139 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.461 -2.500 -7.415 1.00 0.00 H new ATOM 0 HG LEU A 10 0.677 -4.317 -8.254 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.944 -2.671 -9.608 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.428 -3.132 -10.418 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.548 -1.569 -9.576 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.056 -2.598 -7.114 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.657 -1.497 -7.083 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.620 -3.010 -6.146 1.00 0.00 H new ATOM 150 N ILE A 11 -0.009 -6.067 -7.136 1.00 0.00 N ATOM 151 CA ILE A 11 0.765 -6.749 -6.119 1.00 0.00 C ATOM 152 C ILE A 11 2.244 -6.362 -6.234 1.00 0.00 C ATOM 153 O ILE A 11 2.824 -6.372 -7.301 1.00 0.00 O ATOM 154 CB ILE A 11 0.615 -8.264 -6.323 1.00 0.00 C ATOM 155 CG1 ILE A 11 1.780 -9.018 -5.647 1.00 0.00 C ATOM 156 CG2 ILE A 11 0.598 -8.572 -7.821 1.00 0.00 C ATOM 157 CD1 ILE A 11 3.027 -9.020 -6.541 1.00 0.00 C ATOM 0 H ILE A 11 0.253 -6.285 -8.097 1.00 0.00 H new ATOM 0 HA ILE A 11 0.404 -6.463 -5.131 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.320 -8.593 -5.869 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.015 -8.550 -4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.479 -10.044 -5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.492 -9.646 -7.970 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.240 -8.056 -8.289 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.530 -8.233 -8.273 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.832 -9.558 -6.041 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.796 -9.510 -7.487 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.340 -7.993 -6.732 1.00 0.00 H new ATOM 169 N VAL A 12 2.855 -6.042 -5.131 1.00 0.00 N ATOM 170 CA VAL A 12 4.258 -5.691 -5.147 1.00 0.00 C ATOM 171 C VAL A 12 5.030 -6.741 -4.339 1.00 0.00 C ATOM 172 O VAL A 12 5.109 -6.684 -3.128 1.00 0.00 O ATOM 173 CB VAL A 12 4.455 -4.311 -4.525 1.00 0.00 C ATOM 174 CG1 VAL A 12 3.979 -3.233 -5.501 1.00 0.00 C ATOM 175 CG2 VAL A 12 3.643 -4.228 -3.237 1.00 0.00 C ATOM 0 H VAL A 12 2.414 -6.015 -4.212 1.00 0.00 H new ATOM 0 HA VAL A 12 4.624 -5.666 -6.173 1.00 0.00 H new ATOM 0 HB VAL A 12 5.511 -4.153 -4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.121 -2.249 -5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.554 -3.298 -6.424 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.922 -3.382 -5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.777 -3.245 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.588 -4.383 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.983 -4.996 -2.543 1.00 0.00 H new ATOM 185 N LYS A 13 5.589 -7.701 -5.015 1.00 0.00 N ATOM 186 CA LYS A 13 6.338 -8.759 -4.357 1.00 0.00 C ATOM 187 C LYS A 13 7.463 -8.174 -3.518 1.00 0.00 C ATOM 188 O LYS A 13 7.999 -8.807 -2.631 1.00 0.00 O ATOM 189 CB LYS A 13 6.909 -9.685 -5.431 1.00 0.00 C ATOM 190 CG LYS A 13 8.281 -9.193 -5.917 1.00 0.00 C ATOM 191 CD LYS A 13 8.119 -7.857 -6.646 1.00 0.00 C ATOM 192 CE LYS A 13 9.017 -7.838 -7.884 1.00 0.00 C ATOM 193 NZ LYS A 13 8.215 -8.203 -9.085 1.00 0.00 N ATOM 0 H LYS A 13 5.546 -7.783 -6.031 1.00 0.00 H new ATOM 0 HA LYS A 13 5.679 -9.317 -3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.002 -10.695 -5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.219 -9.738 -6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.958 -9.077 -5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.728 -9.931 -6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.078 -7.713 -6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.381 -7.034 -5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.455 -6.848 -8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.843 -8.538 -7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.825 -8.190 -9.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.817 -9.156 -8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.442 -7.518 -9.207 1.00 0.00 H new ATOM 207 N LYS A 14 7.820 -6.978 -3.802 1.00 0.00 N ATOM 208 CA LYS A 14 8.886 -6.354 -3.051 1.00 0.00 C ATOM 209 C LYS A 14 8.365 -5.128 -2.299 1.00 0.00 C ATOM 210 O LYS A 14 8.003 -4.133 -2.892 1.00 0.00 O ATOM 211 CB LYS A 14 10.005 -5.933 -4.003 1.00 0.00 C ATOM 212 CG LYS A 14 11.339 -6.497 -3.508 1.00 0.00 C ATOM 213 CD LYS A 14 11.271 -8.025 -3.480 1.00 0.00 C ATOM 214 CE LYS A 14 12.659 -8.594 -3.180 1.00 0.00 C ATOM 215 NZ LYS A 14 12.648 -9.247 -1.840 1.00 0.00 N ATOM 0 H LYS A 14 7.407 -6.403 -4.536 1.00 0.00 H new ATOM 0 HA LYS A 14 9.271 -7.072 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.796 -6.296 -5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.057 -4.846 -4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.148 -6.171 -4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.560 -6.114 -2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.560 -8.354 -2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.912 -8.401 -4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.941 -9.316 -3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.403 -7.798 -3.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.591 -9.634 -1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.396 -8.546 -1.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.949 -10.017 -1.835 1.00 0.00 H new ATOM 229 N VAL A 15 8.437 -5.155 -0.993 1.00 0.00 N ATOM 230 CA VAL A 15 8.076 -3.973 -0.253 1.00 0.00 C ATOM 231 C VAL A 15 8.866 -3.947 1.038 1.00 0.00 C ATOM 232 O VAL A 15 9.193 -4.965 1.615 1.00 0.00 O ATOM 233 CB VAL A 15 6.568 -3.892 -0.022 1.00 0.00 C ATOM 234 CG1 VAL A 15 6.258 -2.909 1.105 1.00 0.00 C ATOM 235 CG2 VAL A 15 5.929 -3.390 -1.307 1.00 0.00 C ATOM 0 H VAL A 15 8.732 -5.955 -0.434 1.00 0.00 H new ATOM 0 HA VAL A 15 8.330 -3.086 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 15 6.180 -4.873 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.180 -2.861 1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.741 -3.244 2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.631 -1.920 0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.849 -3.321 -1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.328 -2.405 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.151 -4.083 -2.119 1.00 0.00 H new ATOM 245 N ARG A 16 9.172 -2.782 1.485 1.00 0.00 N ATOM 246 CA ARG A 16 9.920 -2.632 2.696 1.00 0.00 C ATOM 247 C ARG A 16 9.085 -1.815 3.644 1.00 0.00 C ATOM 248 O ARG A 16 8.417 -0.887 3.260 1.00 0.00 O ATOM 249 CB ARG A 16 11.225 -1.889 2.383 1.00 0.00 C ATOM 250 CG ARG A 16 11.768 -1.196 3.640 1.00 0.00 C ATOM 251 CD ARG A 16 13.264 -1.497 3.813 1.00 0.00 C ATOM 252 NE ARG A 16 13.566 -2.851 3.383 1.00 0.00 N ATOM 253 CZ ARG A 16 14.800 -3.189 3.108 1.00 0.00 C ATOM 254 NH1 ARG A 16 15.768 -2.324 3.259 1.00 0.00 N ATOM 255 NH2 ARG A 16 15.068 -4.393 2.683 1.00 0.00 N ATOM 0 H ARG A 16 8.916 -1.906 1.030 1.00 0.00 H new ATOM 0 HA ARG A 16 10.158 -3.600 3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.966 -2.590 1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.050 -1.150 1.601 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.613 -0.120 3.565 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.218 -1.537 4.517 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.853 -0.786 3.234 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.548 -1.370 4.858 1.00 0.00 H new ATOM 0 HE ARG A 16 12.817 -3.538 3.295 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.563 -1.382 3.592 1.00 0.00 H new ATOM 0 HH12 ARG A 16 16.729 -2.591 3.044 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.316 -5.071 2.565 1.00 0.00 H new ATOM 0 HH22 ARG A 16 16.030 -4.656 2.469 1.00 0.00 H new ATOM 269 N GLN A 17 9.127 -2.147 4.874 1.00 0.00 N ATOM 270 CA GLN A 17 8.378 -1.402 5.826 1.00 0.00 C ATOM 271 C GLN A 17 9.206 -1.412 7.102 1.00 0.00 C ATOM 272 O GLN A 17 9.776 -2.424 7.457 1.00 0.00 O ATOM 273 CB GLN A 17 6.991 -2.042 5.998 1.00 0.00 C ATOM 274 CG GLN A 17 7.126 -3.544 6.202 1.00 0.00 C ATOM 275 CD GLN A 17 5.779 -4.145 6.623 1.00 0.00 C ATOM 276 OE1 GLN A 17 4.748 -3.366 6.829 1.00 0.00 O flip ATOM 277 NE2 GLN A 17 5.662 -5.344 6.763 1.00 0.00 N flip ATOM 0 H GLN A 17 9.667 -2.925 5.253 1.00 0.00 H new ATOM 0 HA GLN A 17 8.194 -0.372 5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.480 -1.596 6.852 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.378 -1.841 5.119 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.470 -4.014 5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.878 -3.749 6.964 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.462 -5.957 6.604 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.764 -5.740 7.040 1.00 0.00 H new ATOM 286 N LYS A 18 9.385 -0.269 7.713 1.00 0.00 N ATOM 287 CA LYS A 18 10.271 -0.173 8.867 1.00 0.00 C ATOM 288 C LYS A 18 10.186 -1.426 9.742 1.00 0.00 C ATOM 289 O LYS A 18 11.117 -1.745 10.455 1.00 0.00 O ATOM 290 CB LYS A 18 9.887 1.051 9.699 1.00 0.00 C ATOM 291 CG LYS A 18 11.053 2.042 9.712 1.00 0.00 C ATOM 292 CD LYS A 18 10.572 3.391 10.251 1.00 0.00 C ATOM 293 CE LYS A 18 11.756 4.153 10.849 1.00 0.00 C ATOM 294 NZ LYS A 18 11.574 4.275 12.323 1.00 0.00 N ATOM 0 H LYS A 18 8.938 0.607 7.441 1.00 0.00 H new ATOM 0 HA LYS A 18 11.294 -0.079 8.504 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.998 1.524 9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.640 0.750 10.717 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.863 1.659 10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.453 2.163 8.705 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.118 3.974 9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.804 3.239 11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.687 3.631 10.629 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.831 5.142 10.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.379 4.793 12.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.693 4.791 12.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.523 3.326 12.746 1.00 0.00 H new ATOM 308 N LYS A 19 9.117 -2.163 9.685 1.00 0.00 N ATOM 309 CA LYS A 19 9.055 -3.362 10.478 1.00 0.00 C ATOM 310 C LYS A 19 9.834 -4.503 9.786 1.00 0.00 C ATOM 311 O LYS A 19 10.663 -5.162 10.381 1.00 0.00 O ATOM 312 CB LYS A 19 7.574 -3.785 10.673 1.00 0.00 C ATOM 313 CG LYS A 19 6.910 -4.201 9.333 1.00 0.00 C ATOM 314 CD LYS A 19 5.405 -4.400 9.533 1.00 0.00 C ATOM 315 CE LYS A 19 5.159 -5.211 10.807 1.00 0.00 C ATOM 316 NZ LYS A 19 5.150 -4.298 11.984 1.00 0.00 N ATOM 0 H LYS A 19 8.294 -1.966 9.115 1.00 0.00 H new ATOM 0 HA LYS A 19 9.508 -3.164 11.450 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.523 -4.616 11.377 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.016 -2.959 11.114 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.087 -3.436 8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.361 -5.122 8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.906 -3.433 9.603 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.979 -4.917 8.673 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.208 -5.740 10.736 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.936 -5.966 10.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.973 -4.501 12.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.194 -3.311 11.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.277 -4.444 12.530 1.00 0.00 H new ATOM 330 N GLN A 20 9.480 -4.790 8.568 1.00 0.00 N ATOM 331 CA GLN A 20 10.044 -5.905 7.848 1.00 0.00 C ATOM 332 C GLN A 20 10.022 -5.623 6.344 1.00 0.00 C ATOM 333 O GLN A 20 9.355 -4.721 5.885 1.00 0.00 O ATOM 334 CB GLN A 20 9.221 -7.147 8.174 1.00 0.00 C ATOM 335 CG GLN A 20 9.512 -8.263 7.168 1.00 0.00 C ATOM 336 CD GLN A 20 8.822 -9.555 7.615 1.00 0.00 C ATOM 337 OE1 GLN A 20 8.133 -9.574 8.615 1.00 0.00 O ATOM 338 NE2 GLN A 20 8.980 -10.642 6.911 1.00 0.00 N ATOM 0 H GLN A 20 8.789 -4.258 8.039 1.00 0.00 H new ATOM 0 HA GLN A 20 11.081 -6.062 8.144 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.453 -7.489 9.183 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.159 -6.902 8.157 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.158 -7.974 6.178 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.587 -8.423 7.088 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.559 -10.626 6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.525 -11.508 7.200 1.00 0.00 H new ATOM 347 N ASP A 21 10.694 -6.415 5.566 1.00 0.00 N ATOM 348 CA ASP A 21 10.639 -6.216 4.137 1.00 0.00 C ATOM 349 C ASP A 21 9.756 -7.371 3.699 1.00 0.00 C ATOM 350 O ASP A 21 9.935 -8.503 4.103 1.00 0.00 O ATOM 351 CB ASP A 21 12.032 -6.324 3.503 1.00 0.00 C ATOM 352 CG ASP A 21 13.055 -5.641 4.411 1.00 0.00 C ATOM 353 OD1 ASP A 21 12.685 -4.686 5.073 1.00 0.00 O ATOM 354 OD2 ASP A 21 14.192 -6.084 4.427 1.00 0.00 O ATOM 0 H ASP A 21 11.277 -7.191 5.880 1.00 0.00 H new ATOM 0 HA ASP A 21 10.269 -5.233 3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.298 -7.371 3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.033 -5.856 2.518 1.00 0.00 H new ATOM 359 N GLY A 22 8.754 -7.068 2.930 1.00 0.00 N ATOM 360 CA GLY A 22 7.818 -8.088 2.533 1.00 0.00 C ATOM 361 C GLY A 22 7.008 -7.654 1.322 1.00 0.00 C ATOM 362 O GLY A 22 7.063 -6.511 0.903 1.00 0.00 O ATOM 0 H GLY A 22 8.560 -6.135 2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.355 -9.008 2.303 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.146 -8.310 3.362 1.00 0.00 H new ATOM 366 N ALA A 23 6.336 -8.579 0.698 1.00 0.00 N ATOM 367 CA ALA A 23 5.591 -8.255 -0.492 1.00 0.00 C ATOM 368 C ALA A 23 4.198 -7.712 -0.141 1.00 0.00 C ATOM 369 O ALA A 23 3.511 -8.168 0.752 1.00 0.00 O ATOM 370 CB ALA A 23 5.430 -9.514 -1.343 1.00 0.00 C ATOM 0 H ALA A 23 6.286 -9.556 0.987 1.00 0.00 H new ATOM 0 HA ALA A 23 6.137 -7.488 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.867 -9.274 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.413 -9.894 -1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.895 -10.273 -0.772 1.00 0.00 H new ATOM 376 N LEU A 24 3.875 -6.657 -0.818 1.00 0.00 N ATOM 377 CA LEU A 24 2.639 -5.937 -0.549 1.00 0.00 C ATOM 378 C LEU A 24 1.631 -6.175 -1.681 1.00 0.00 C ATOM 379 O LEU A 24 1.952 -6.155 -2.845 1.00 0.00 O ATOM 380 CB LEU A 24 2.952 -4.438 -0.467 1.00 0.00 C ATOM 381 CG LEU A 24 2.707 -3.905 0.940 1.00 0.00 C ATOM 382 CD1 LEU A 24 2.694 -2.377 0.885 1.00 0.00 C ATOM 383 CD2 LEU A 24 1.360 -4.399 1.464 1.00 0.00 C ATOM 0 H LEU A 24 4.443 -6.261 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 24 2.211 -6.291 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.990 -4.264 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.332 -3.894 -1.179 1.00 0.00 H new ATOM 0 HG LEU A 24 3.495 -4.257 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.520 -1.978 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.654 -2.018 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.899 -2.044 0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.197 -4.012 2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.564 -4.050 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.357 -5.489 1.490 1.00 0.00 H new ATOM 395 N TYR A 25 0.403 -6.428 -1.313 1.00 0.00 N ATOM 396 CA TYR A 25 -0.643 -6.695 -2.288 1.00 0.00 C ATOM 397 C TYR A 25 -1.705 -5.606 -2.181 1.00 0.00 C ATOM 398 O TYR A 25 -2.144 -5.289 -1.098 1.00 0.00 O ATOM 399 CB TYR A 25 -1.329 -8.016 -1.928 1.00 0.00 C ATOM 400 CG TYR A 25 -0.688 -9.181 -2.631 1.00 0.00 C ATOM 401 CD1 TYR A 25 -1.122 -9.548 -3.907 1.00 0.00 C ATOM 402 CD2 TYR A 25 0.318 -9.914 -1.993 1.00 0.00 C ATOM 403 CE1 TYR A 25 -0.546 -10.649 -4.551 1.00 0.00 C ATOM 404 CE2 TYR A 25 0.893 -11.017 -2.632 1.00 0.00 C ATOM 405 CZ TYR A 25 0.461 -11.387 -3.911 1.00 0.00 C ATOM 406 OH TYR A 25 1.028 -12.475 -4.543 1.00 0.00 O ATOM 0 H TYR A 25 0.093 -6.457 -0.342 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.208 -6.731 -3.287 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.281 -8.170 -0.850 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.384 -7.964 -2.196 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.901 -8.983 -4.396 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.651 -9.628 -1.006 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.876 -10.930 -5.540 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.670 -11.583 -2.139 1.00 0.00 H new ATOM 0 HH TYR A 25 1.710 -12.872 -3.962 1.00 0.00 H new ATOM 416 N LEU A 26 -2.160 -5.036 -3.261 1.00 0.00 N ATOM 417 CA LEU A 26 -3.192 -4.030 -3.138 1.00 0.00 C ATOM 418 C LEU A 26 -4.486 -4.620 -3.701 1.00 0.00 C ATOM 419 O LEU A 26 -4.503 -5.155 -4.800 1.00 0.00 O ATOM 420 CB LEU A 26 -2.801 -2.783 -3.934 1.00 0.00 C ATOM 421 CG LEU A 26 -3.695 -1.611 -3.523 1.00 0.00 C ATOM 422 CD1 LEU A 26 -3.204 -0.331 -4.202 1.00 0.00 C ATOM 423 CD2 LEU A 26 -5.137 -1.893 -3.955 1.00 0.00 C ATOM 0 H LEU A 26 -1.849 -5.238 -4.211 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.324 -3.744 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.755 -2.537 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.903 -2.974 -5.002 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.655 -1.488 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.841 0.504 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.177 -0.128 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.243 -0.455 -5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.774 -1.058 -3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.175 -2.017 -5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.489 -2.805 -3.473 1.00 0.00 H new ATOM 435 N MET A 27 -5.567 -4.509 -2.972 1.00 0.00 N ATOM 436 CA MET A 27 -6.829 -5.036 -3.444 1.00 0.00 C ATOM 437 C MET A 27 -7.818 -3.883 -3.592 1.00 0.00 C ATOM 438 O MET A 27 -7.711 -2.874 -2.922 1.00 0.00 O ATOM 439 CB MET A 27 -7.366 -6.055 -2.433 1.00 0.00 C ATOM 440 CG MET A 27 -8.836 -6.363 -2.734 1.00 0.00 C ATOM 441 SD MET A 27 -9.128 -8.141 -2.581 1.00 0.00 S ATOM 442 CE MET A 27 -10.728 -8.168 -3.426 1.00 0.00 C ATOM 0 H MET A 27 -5.603 -4.063 -2.056 1.00 0.00 H new ATOM 0 HA MET A 27 -6.692 -5.529 -4.407 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.777 -6.971 -2.479 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.267 -5.663 -1.421 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.481 -5.818 -2.044 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.090 -6.028 -3.740 1.00 0.00 H new ATOM 0 HE1 MET A 27 -11.457 -8.692 -2.808 1.00 0.00 H new ATOM 0 HE2 MET A 27 -11.066 -7.146 -3.598 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.626 -8.683 -4.381 1.00 0.00 H new ATOM 452 N ALA A 28 -8.762 -4.022 -4.478 1.00 0.00 N ATOM 453 CA ALA A 28 -9.731 -2.969 -4.704 1.00 0.00 C ATOM 454 C ALA A 28 -10.119 -2.272 -3.395 1.00 0.00 C ATOM 455 O ALA A 28 -10.038 -1.064 -3.298 1.00 0.00 O ATOM 456 CB ALA A 28 -10.981 -3.578 -5.347 1.00 0.00 C ATOM 0 H ALA A 28 -8.888 -4.851 -5.059 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.285 -2.223 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.718 -2.795 -5.522 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.713 -4.042 -6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.403 -4.331 -4.681 1.00 0.00 H new ATOM 462 N GLU A 29 -10.589 -2.982 -2.402 1.00 0.00 N ATOM 463 CA GLU A 29 -11.013 -2.311 -1.187 1.00 0.00 C ATOM 464 C GLU A 29 -9.992 -2.467 -0.050 1.00 0.00 C ATOM 465 O GLU A 29 -10.255 -2.067 1.061 1.00 0.00 O ATOM 466 CB GLU A 29 -12.336 -2.942 -0.750 1.00 0.00 C ATOM 467 CG GLU A 29 -12.749 -2.445 0.642 1.00 0.00 C ATOM 468 CD GLU A 29 -14.239 -2.099 0.635 1.00 0.00 C ATOM 469 OE1 GLU A 29 -15.038 -3.006 0.795 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.555 -0.932 0.470 1.00 0.00 O ATOM 0 H GLU A 29 -10.689 -3.997 -2.401 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.113 -1.245 -1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.115 -2.699 -1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.239 -4.028 -0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.546 -3.212 1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.162 -1.569 0.917 1.00 0.00 H new ATOM 477 N ARG A 30 -8.844 -3.043 -0.265 1.00 0.00 N ATOM 478 CA ARG A 30 -7.944 -3.164 0.872 1.00 0.00 C ATOM 479 C ARG A 30 -6.491 -3.384 0.465 1.00 0.00 C ATOM 480 O ARG A 30 -6.174 -3.709 -0.658 1.00 0.00 O ATOM 481 CB ARG A 30 -8.406 -4.314 1.777 1.00 0.00 C ATOM 482 CG ARG A 30 -7.778 -5.647 1.356 1.00 0.00 C ATOM 483 CD ARG A 30 -8.882 -6.686 1.207 1.00 0.00 C ATOM 484 NE ARG A 30 -9.767 -6.259 0.141 1.00 0.00 N ATOM 485 CZ ARG A 30 -10.698 -7.058 -0.306 1.00 0.00 C ATOM 486 NH1 ARG A 30 -10.842 -8.251 0.207 1.00 0.00 N ATOM 487 NH2 ARG A 30 -11.485 -6.664 -1.268 1.00 0.00 N ATOM 0 H ARG A 30 -8.512 -3.419 -1.153 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.983 -2.216 1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.138 -4.095 2.811 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.492 -4.394 1.739 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.241 -5.530 0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.051 -5.973 2.100 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.456 -7.663 0.979 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.435 -6.790 2.141 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.662 -5.328 -0.263 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.226 -8.561 0.959 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.570 -8.873 -0.144 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.373 -5.733 -1.670 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.213 -7.287 -1.619 1.00 0.00 H new ATOM 501 N ILE A 31 -5.614 -3.212 1.414 1.00 0.00 N ATOM 502 CA ILE A 31 -4.199 -3.405 1.168 1.00 0.00 C ATOM 503 C ILE A 31 -3.769 -4.688 1.893 1.00 0.00 C ATOM 504 O ILE A 31 -4.188 -4.950 3.002 1.00 0.00 O ATOM 505 CB ILE A 31 -3.423 -2.184 1.698 1.00 0.00 C ATOM 506 CG1 ILE A 31 -3.292 -1.146 0.580 1.00 0.00 C ATOM 507 CG2 ILE A 31 -2.022 -2.597 2.167 1.00 0.00 C ATOM 508 CD1 ILE A 31 -2.268 -1.626 -0.450 1.00 0.00 C ATOM 0 H ILE A 31 -5.847 -2.938 2.369 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.991 -3.502 0.102 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.967 -1.762 2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.258 -0.989 0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.983 -0.187 0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.490 -1.721 2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.108 -3.334 2.965 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.471 -3.030 1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.177 -0.886 -1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.301 -1.760 0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.596 -2.575 -0.874 1.00 0.00 H new ATOM 520 N ALA A 32 -2.966 -5.506 1.267 1.00 0.00 N ATOM 521 CA ALA A 32 -2.566 -6.746 1.904 1.00 0.00 C ATOM 522 C ALA A 32 -1.048 -6.873 1.966 1.00 0.00 C ATOM 523 O ALA A 32 -0.326 -6.367 1.133 1.00 0.00 O ATOM 524 CB ALA A 32 -3.141 -7.927 1.120 1.00 0.00 C ATOM 0 H ALA A 32 -2.579 -5.348 0.336 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.951 -6.746 2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.842 -8.860 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.229 -7.859 1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.763 -7.904 0.098 1.00 0.00 H new ATOM 530 N TRP A 33 -0.573 -7.567 2.961 1.00 0.00 N ATOM 531 CA TRP A 33 0.855 -7.749 3.086 1.00 0.00 C ATOM 532 C TRP A 33 1.197 -9.224 3.159 1.00 0.00 C ATOM 533 O TRP A 33 0.501 -10.008 3.759 1.00 0.00 O ATOM 534 CB TRP A 33 1.384 -7.067 4.331 1.00 0.00 C ATOM 535 CG TRP A 33 2.864 -7.091 4.281 1.00 0.00 C ATOM 536 CD1 TRP A 33 3.594 -6.794 3.188 1.00 0.00 C ATOM 537 CD2 TRP A 33 3.819 -7.447 5.324 1.00 0.00 C ATOM 538 NE1 TRP A 33 4.927 -6.851 3.530 1.00 0.00 N ATOM 539 CE2 TRP A 33 5.117 -7.274 4.804 1.00 0.00 C ATOM 540 CE3 TRP A 33 3.700 -7.876 6.654 1.00 0.00 C ATOM 541 CZ2 TRP A 33 6.253 -7.507 5.551 1.00 0.00 C ATOM 542 CZ3 TRP A 33 4.851 -8.134 7.416 1.00 0.00 C ATOM 543 CH2 TRP A 33 6.128 -7.945 6.861 1.00 0.00 C ATOM 0 H TRP A 33 -1.136 -8.010 3.687 1.00 0.00 H new ATOM 0 HA TRP A 33 1.319 -7.303 2.206 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.022 -6.040 4.384 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.026 -7.578 5.225 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.201 -6.553 2.211 1.00 0.00 H new ATOM 0 HE1 TRP A 33 5.686 -6.603 2.896 1.00 0.00 H new ATOM 0 HE3 TRP A 33 2.722 -8.008 7.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 7.231 -7.350 5.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.754 -8.480 8.435 1.00 0.00 H new ATOM 0 HH2 TRP A 33 7.010 -8.140 7.453 1.00 0.00 H new ATOM 554 N ALA A 34 2.287 -9.590 2.564 1.00 0.00 N ATOM 555 CA ALA A 34 2.711 -10.972 2.599 1.00 0.00 C ATOM 556 C ALA A 34 4.237 -11.048 2.493 1.00 0.00 C ATOM 557 O ALA A 34 4.823 -10.507 1.576 1.00 0.00 O ATOM 558 CB ALA A 34 2.061 -11.741 1.457 1.00 0.00 C ATOM 0 H ALA A 34 2.904 -8.963 2.048 1.00 0.00 H new ATOM 0 HA ALA A 34 2.402 -11.421 3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.384 -12.781 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.977 -11.695 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.356 -11.298 0.506 1.00 0.00 H new ATOM 564 N PRO A 35 4.833 -11.722 3.441 1.00 0.00 N ATOM 565 CA PRO A 35 6.308 -11.843 3.410 1.00 0.00 C ATOM 566 C PRO A 35 6.730 -12.817 2.306 1.00 0.00 C ATOM 567 O PRO A 35 5.920 -13.272 1.523 1.00 0.00 O ATOM 568 CB PRO A 35 6.710 -12.386 4.786 1.00 0.00 C ATOM 569 CG PRO A 35 5.418 -12.576 5.609 1.00 0.00 C ATOM 570 CD PRO A 35 4.239 -12.145 4.728 1.00 0.00 C ATOM 0 HA PRO A 35 6.790 -10.888 3.202 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.241 -13.332 4.684 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.386 -11.694 5.288 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.308 -13.617 5.914 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.453 -11.979 6.520 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.537 -12.967 4.584 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.683 -11.329 5.190 1.00 0.00 H new ATOM 678 N THR A 42 -0.403 -11.992 4.654 1.00 0.00 N ATOM 679 CA THR A 42 -0.089 -11.746 6.042 1.00 0.00 C ATOM 680 C THR A 42 -0.885 -10.529 6.550 1.00 0.00 C ATOM 681 O THR A 42 -0.970 -10.284 7.737 1.00 0.00 O ATOM 682 CB THR A 42 1.433 -11.491 6.149 1.00 0.00 C ATOM 683 OG1 THR A 42 1.952 -12.201 7.264 1.00 0.00 O ATOM 684 CG2 THR A 42 1.744 -9.999 6.312 1.00 0.00 C ATOM 0 HA THR A 42 -0.362 -12.604 6.657 1.00 0.00 H new ATOM 0 HB THR A 42 1.899 -11.837 5.227 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.917 -12.042 7.333 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.822 -9.858 6.384 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.363 -9.452 5.450 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.268 -9.625 7.218 1.00 0.00 H new ATOM 692 N ILE A 43 -1.456 -9.762 5.659 1.00 0.00 N ATOM 693 CA ILE A 43 -2.204 -8.597 6.108 1.00 0.00 C ATOM 694 C ILE A 43 -3.311 -8.222 5.131 1.00 0.00 C ATOM 695 O ILE A 43 -3.247 -8.517 3.954 1.00 0.00 O ATOM 696 CB ILE A 43 -1.229 -7.422 6.295 1.00 0.00 C ATOM 697 CG1 ILE A 43 -1.329 -6.911 7.732 1.00 0.00 C ATOM 698 CG2 ILE A 43 -1.524 -6.253 5.322 1.00 0.00 C ATOM 699 CD1 ILE A 43 -0.751 -5.499 7.799 1.00 0.00 C ATOM 0 H ILE A 43 -1.426 -9.907 4.650 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.686 -8.837 7.056 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.225 -7.789 6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.369 -6.908 8.059 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.785 -7.573 8.406 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.809 -5.448 5.493 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.436 -6.604 4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.535 -5.883 5.494 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.818 -5.126 8.821 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.293 -5.518 7.488 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.315 -4.843 7.136 1.00 0.00 H new ATOM 711 N SER A 44 -4.300 -7.530 5.626 1.00 0.00 N ATOM 712 CA SER A 44 -5.378 -7.083 4.778 1.00 0.00 C ATOM 713 C SER A 44 -6.171 -5.985 5.499 1.00 0.00 C ATOM 714 O SER A 44 -6.982 -6.259 6.361 1.00 0.00 O ATOM 715 CB SER A 44 -6.300 -8.257 4.450 1.00 0.00 C ATOM 716 OG SER A 44 -7.107 -8.551 5.583 1.00 0.00 O ATOM 0 H SER A 44 -4.385 -7.263 6.607 1.00 0.00 H new ATOM 0 HA SER A 44 -4.968 -6.684 3.850 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.929 -8.012 3.594 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.711 -9.131 4.172 1.00 0.00 H new ATOM 0 HG SER A 44 -6.868 -7.950 6.319 1.00 0.00 H new ATOM 722 N HIS A 45 -5.955 -4.742 5.143 1.00 0.00 N ATOM 723 CA HIS A 45 -6.693 -3.666 5.786 1.00 0.00 C ATOM 724 C HIS A 45 -7.684 -3.072 4.786 1.00 0.00 C ATOM 725 O HIS A 45 -7.298 -2.504 3.781 1.00 0.00 O ATOM 726 CB HIS A 45 -5.769 -2.537 6.260 1.00 0.00 C ATOM 727 CG HIS A 45 -4.316 -2.837 5.990 1.00 0.00 C ATOM 728 ND1 HIS A 45 -3.617 -3.036 4.827 1.00 0.00 N flip ATOM 729 CD2 HIS A 45 -3.375 -2.891 7.007 1.00 0.00 C flip ATOM 730 CE1 HIS A 45 -2.266 -3.207 5.111 1.00 0.00 C flip ATOM 731 NE2 HIS A 45 -2.175 -3.109 6.437 1.00 0.00 N flip ATOM 0 H HIS A 45 -5.290 -4.447 4.428 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.201 -4.090 6.653 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.046 -1.609 5.759 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.912 -2.377 7.329 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.569 -2.779 8.063 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.464 -3.381 4.409 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -1.301 -3.189 6.957 1.00 0.00 H new ATOM 739 N MET A 46 -8.955 -3.196 5.052 1.00 0.00 N ATOM 740 CA MET A 46 -9.948 -2.661 4.147 1.00 0.00 C ATOM 741 C MET A 46 -9.855 -1.136 4.100 1.00 0.00 C ATOM 742 O MET A 46 -10.039 -0.462 5.086 1.00 0.00 O ATOM 743 CB MET A 46 -11.343 -3.063 4.625 1.00 0.00 C ATOM 744 CG MET A 46 -11.967 -4.039 3.626 1.00 0.00 C ATOM 745 SD MET A 46 -12.342 -5.601 4.461 1.00 0.00 S ATOM 746 CE MET A 46 -13.654 -6.148 3.342 1.00 0.00 C ATOM 0 H MET A 46 -9.331 -3.658 5.880 1.00 0.00 H new ATOM 0 HA MET A 46 -9.767 -3.062 3.150 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.282 -3.525 5.610 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.972 -2.179 4.726 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.877 -3.612 3.204 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.283 -4.213 2.796 1.00 0.00 H new ATOM 0 HE1 MET A 46 -14.038 -7.112 3.675 1.00 0.00 H new ATOM 0 HE2 MET A 46 -14.462 -5.416 3.343 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.254 -6.246 2.333 1.00 0.00 H new ATOM 756 N TYR A 47 -9.539 -0.607 2.956 1.00 0.00 N ATOM 757 CA TYR A 47 -9.418 0.832 2.808 1.00 0.00 C ATOM 758 C TYR A 47 -10.535 1.541 3.617 1.00 0.00 C ATOM 759 O TYR A 47 -10.269 2.459 4.354 1.00 0.00 O ATOM 760 CB TYR A 47 -9.514 1.184 1.315 1.00 0.00 C ATOM 761 CG TYR A 47 -8.155 1.038 0.641 1.00 0.00 C ATOM 762 CD1 TYR A 47 -6.982 0.826 1.394 1.00 0.00 C ATOM 763 CD2 TYR A 47 -8.064 1.129 -0.755 1.00 0.00 C ATOM 764 CE1 TYR A 47 -5.747 0.714 0.750 1.00 0.00 C ATOM 765 CE2 TYR A 47 -6.832 1.014 -1.385 1.00 0.00 C ATOM 766 CZ TYR A 47 -5.671 0.811 -0.639 1.00 0.00 C ATOM 767 OH TYR A 47 -4.451 0.700 -1.275 1.00 0.00 O ATOM 0 H TYR A 47 -9.358 -1.141 2.106 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.457 1.171 3.194 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.239 0.532 0.828 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.875 2.206 1.199 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.038 0.750 2.470 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.956 1.289 -1.343 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.850 0.552 1.329 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.772 1.082 -2.461 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.550 0.947 -2.218 1.00 0.00 H new ATOM 777 N ALA A 48 -11.770 1.106 3.527 1.00 0.00 N ATOM 778 CA ALA A 48 -12.826 1.746 4.319 1.00 0.00 C ATOM 779 C ALA A 48 -12.593 1.412 5.801 1.00 0.00 C ATOM 780 O ALA A 48 -12.772 2.222 6.686 1.00 0.00 O ATOM 781 CB ALA A 48 -14.192 1.211 3.882 1.00 0.00 C ATOM 0 H ALA A 48 -12.076 0.334 2.934 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.803 2.825 4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.975 1.688 4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.348 1.431 2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.227 0.133 4.037 1.00 0.00 H new ATOM 787 N ASP A 49 -12.157 0.213 6.035 1.00 0.00 N ATOM 788 CA ASP A 49 -11.847 -0.255 7.380 1.00 0.00 C ATOM 789 C ASP A 49 -10.608 0.485 7.908 1.00 0.00 C ATOM 790 O ASP A 49 -10.214 0.328 9.046 1.00 0.00 O ATOM 791 CB ASP A 49 -11.577 -1.760 7.351 1.00 0.00 C ATOM 792 CG ASP A 49 -12.859 -2.501 6.966 1.00 0.00 C ATOM 793 OD1 ASP A 49 -13.810 -1.839 6.584 1.00 0.00 O ATOM 794 OD2 ASP A 49 -12.867 -3.717 7.059 1.00 0.00 O ATOM 0 H ASP A 49 -12.000 -0.483 5.306 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.693 -0.056 8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.786 -1.985 6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.229 -2.097 8.328 1.00 0.00 H new ATOM 799 N ILE A 50 -10.000 1.290 7.082 1.00 0.00 N ATOM 800 CA ILE A 50 -8.830 2.021 7.513 1.00 0.00 C ATOM 801 C ILE A 50 -8.938 3.477 7.032 1.00 0.00 C ATOM 802 O ILE A 50 -9.240 3.711 5.884 1.00 0.00 O ATOM 803 CB ILE A 50 -7.602 1.365 6.893 1.00 0.00 C ATOM 804 CG1 ILE A 50 -7.698 1.456 5.371 1.00 0.00 C ATOM 805 CG2 ILE A 50 -7.549 -0.106 7.304 1.00 0.00 C ATOM 806 CD1 ILE A 50 -6.625 0.565 4.741 1.00 0.00 C ATOM 0 H ILE A 50 -10.286 1.459 6.118 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.751 2.009 8.600 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.703 1.875 7.239 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.688 1.143 5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.565 2.489 5.048 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.671 -0.576 6.861 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.490 -0.178 8.390 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.448 -0.614 6.954 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.691 0.628 3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.639 0.899 5.064 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.779 -0.467 5.055 1.00 0.00 H new ATOM 818 N LYS A 51 -8.685 4.479 7.848 1.00 0.00 N ATOM 819 CA LYS A 51 -8.798 5.811 7.288 1.00 0.00 C ATOM 820 C LYS A 51 -7.836 6.812 7.905 1.00 0.00 C ATOM 821 O LYS A 51 -8.050 7.355 8.970 1.00 0.00 O ATOM 822 CB LYS A 51 -10.205 6.350 7.452 1.00 0.00 C ATOM 823 CG LYS A 51 -10.489 7.244 6.246 1.00 0.00 C ATOM 824 CD LYS A 51 -9.658 8.528 6.352 1.00 0.00 C ATOM 825 CE LYS A 51 -9.986 9.246 7.663 1.00 0.00 C ATOM 826 NZ LYS A 51 -9.364 10.600 7.658 1.00 0.00 N ATOM 0 H LYS A 51 -8.419 4.412 8.830 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.544 5.699 6.234 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.926 5.534 7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.295 6.915 8.380 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.246 6.716 5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.550 7.488 6.203 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.595 8.289 6.313 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.870 9.181 5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.066 9.331 7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.616 8.667 8.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.587 11.088 8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.333 10.508 7.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.738 11.151 6.859 1.00 0.00 H new ATOM 840 N CYS A 52 -6.822 7.102 7.163 1.00 0.00 N ATOM 841 CA CYS A 52 -5.848 8.098 7.533 1.00 0.00 C ATOM 842 C CYS A 52 -4.745 8.021 6.500 1.00 0.00 C ATOM 843 O CYS A 52 -4.332 6.943 6.138 1.00 0.00 O ATOM 844 CB CYS A 52 -5.286 7.847 8.916 1.00 0.00 C ATOM 845 SG CYS A 52 -4.626 9.392 9.589 1.00 0.00 S ATOM 0 H CYS A 52 -6.635 6.653 6.267 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.310 9.085 7.561 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -6.065 7.456 9.571 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.500 7.093 8.869 1.00 0.00 H new ATOM 0 HG CYS A 52 -4.145 9.177 10.778 1.00 0.00 H new ATOM 851 N GLN A 53 -4.291 9.111 5.981 1.00 0.00 N ATOM 852 CA GLN A 53 -3.281 8.990 4.953 1.00 0.00 C ATOM 853 C GLN A 53 -2.245 10.101 5.037 1.00 0.00 C ATOM 854 O GLN A 53 -2.536 11.277 4.951 1.00 0.00 O ATOM 855 CB GLN A 53 -3.955 9.036 3.581 1.00 0.00 C ATOM 856 CG GLN A 53 -4.561 7.668 3.264 1.00 0.00 C ATOM 857 CD GLN A 53 -4.324 7.332 1.791 1.00 0.00 C ATOM 858 OE1 GLN A 53 -3.610 8.035 1.103 1.00 0.00 O ATOM 859 NE2 GLN A 53 -4.896 6.279 1.274 1.00 0.00 N ATOM 0 H GLN A 53 -4.577 10.059 6.227 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.766 8.041 5.100 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.732 9.801 3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.228 9.310 2.816 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.112 6.904 3.899 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.630 7.673 3.479 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.495 5.689 1.851 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.744 6.046 0.293 1.00 0.00 H new ATOM 868 N LYS A 54 -1.019 9.687 5.194 1.00 0.00 N ATOM 869 CA LYS A 54 0.090 10.603 5.276 1.00 0.00 C ATOM 870 C LYS A 54 1.158 10.104 4.297 1.00 0.00 C ATOM 871 O LYS A 54 1.726 9.045 4.476 1.00 0.00 O ATOM 872 CB LYS A 54 0.624 10.592 6.720 1.00 0.00 C ATOM 873 CG LYS A 54 2.141 10.812 6.744 1.00 0.00 C ATOM 874 CD LYS A 54 2.512 11.685 7.945 1.00 0.00 C ATOM 875 CE LYS A 54 2.600 13.148 7.507 1.00 0.00 C ATOM 876 NZ LYS A 54 3.735 13.809 8.209 1.00 0.00 N ATOM 0 H LYS A 54 -0.757 8.704 5.269 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.199 11.623 5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.130 11.371 7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.383 9.640 7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.657 9.854 6.804 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.464 11.291 5.820 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.766 11.575 8.732 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.466 11.362 8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.742 13.208 6.428 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.667 13.664 7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.795 14.804 7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.581 13.764 9.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.622 13.322 7.970 1.00 0.00 H new ATOM 988 N LYS A 62 12.374 7.564 -2.045 1.00 0.00 N ATOM 989 CA LYS A 62 11.696 6.528 -2.772 1.00 0.00 C ATOM 990 C LYS A 62 10.184 6.707 -2.577 1.00 0.00 C ATOM 991 O LYS A 62 9.574 7.568 -3.180 1.00 0.00 O ATOM 992 CB LYS A 62 12.214 5.154 -2.317 1.00 0.00 C ATOM 993 CG LYS A 62 12.821 5.257 -0.902 1.00 0.00 C ATOM 994 CD LYS A 62 11.772 5.729 0.113 1.00 0.00 C ATOM 995 CE LYS A 62 12.377 5.702 1.518 1.00 0.00 C ATOM 996 NZ LYS A 62 13.366 6.808 1.654 1.00 0.00 N ATOM 0 HA LYS A 62 11.898 6.592 -3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.399 4.431 -2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.965 4.790 -3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.214 4.286 -0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.661 5.952 -0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.440 6.738 -0.133 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.893 5.085 0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.591 5.808 2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.861 4.742 1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.639 6.909 2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.209 6.592 1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.941 7.697 1.320 1.00 0.00 H new ATOM 1010 N ILE A 63 9.572 5.887 -1.797 1.00 0.00 N ATOM 1011 CA ILE A 63 8.133 6.004 -1.643 1.00 0.00 C ATOM 1012 C ILE A 63 7.593 5.243 -0.410 1.00 0.00 C ATOM 1013 O ILE A 63 7.144 4.119 -0.487 1.00 0.00 O ATOM 1014 CB ILE A 63 7.424 5.623 -2.969 1.00 0.00 C ATOM 1015 CG1 ILE A 63 6.307 4.600 -2.750 1.00 0.00 C ATOM 1016 CG2 ILE A 63 8.427 5.052 -3.986 1.00 0.00 C ATOM 1017 CD1 ILE A 63 5.386 4.605 -3.966 1.00 0.00 C ATOM 0 H ILE A 63 10.015 5.141 -1.261 1.00 0.00 H new ATOM 0 HA ILE A 63 7.897 7.048 -1.434 1.00 0.00 H new ATOM 0 HB ILE A 63 6.985 6.542 -3.359 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.730 3.606 -2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.744 4.844 -1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.904 4.793 -4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.192 5.798 -4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.897 4.160 -3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.586 3.879 -3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.956 5.598 -4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.957 4.341 -4.856 1.00 0.00 H new ATOM 1029 N GLN A 64 7.631 5.873 0.737 1.00 0.00 N ATOM 1030 CA GLN A 64 7.119 5.238 1.944 1.00 0.00 C ATOM 1031 C GLN A 64 5.821 5.955 2.328 1.00 0.00 C ATOM 1032 O GLN A 64 5.767 7.167 2.366 1.00 0.00 O ATOM 1033 CB GLN A 64 8.135 5.372 3.079 1.00 0.00 C ATOM 1034 CG GLN A 64 8.519 6.843 3.252 1.00 0.00 C ATOM 1035 CD GLN A 64 9.339 7.010 4.532 1.00 0.00 C ATOM 1036 OE1 GLN A 64 10.343 6.352 4.715 1.00 0.00 O ATOM 1037 NE2 GLN A 64 8.950 7.870 5.433 1.00 0.00 N ATOM 0 H GLN A 64 8.004 6.813 0.869 1.00 0.00 H new ATOM 0 HA GLN A 64 6.939 4.177 1.768 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.713 4.984 4.006 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.022 4.777 2.859 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.095 7.183 2.392 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.622 7.461 3.299 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.107 8.423 5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.489 7.989 6.291 1.00 0.00 H new ATOM 1046 N LEU A 65 4.761 5.233 2.583 1.00 0.00 N ATOM 1047 CA LEU A 65 3.514 5.908 2.901 1.00 0.00 C ATOM 1048 C LEU A 65 2.983 5.518 4.288 1.00 0.00 C ATOM 1049 O LEU A 65 3.490 4.619 4.934 1.00 0.00 O ATOM 1050 CB LEU A 65 2.474 5.607 1.804 1.00 0.00 C ATOM 1051 CG LEU A 65 2.221 4.094 1.621 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.406 3.436 0.921 1.00 0.00 C ATOM 1053 CD2 LEU A 65 1.979 3.397 2.961 1.00 0.00 C ATOM 0 H LEU A 65 4.725 4.214 2.580 1.00 0.00 H new ATOM 0 HA LEU A 65 3.705 6.981 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.535 6.101 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.815 6.031 0.860 1.00 0.00 H new ATOM 0 HG LEU A 65 1.326 3.988 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.211 2.370 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.549 3.892 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.306 3.575 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.805 2.334 2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.853 3.524 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.107 3.835 3.447 1.00 0.00 H new ATOM 1065 N GLN A 66 1.958 6.202 4.746 1.00 0.00 N ATOM 1066 CA GLN A 66 1.394 5.904 6.053 1.00 0.00 C ATOM 1067 C GLN A 66 -0.143 5.949 5.993 1.00 0.00 C ATOM 1068 O GLN A 66 -0.733 6.876 5.473 1.00 0.00 O ATOM 1069 CB GLN A 66 1.893 6.935 7.067 1.00 0.00 C ATOM 1070 CG GLN A 66 2.509 6.216 8.269 1.00 0.00 C ATOM 1071 CD GLN A 66 3.229 7.232 9.158 1.00 0.00 C ATOM 1072 OE1 GLN A 66 4.420 6.955 9.612 1.00 0.00 O flip ATOM 1073 NE2 GLN A 66 2.702 8.289 9.442 1.00 0.00 N flip ATOM 0 H GLN A 66 1.499 6.961 4.243 1.00 0.00 H new ATOM 0 HA GLN A 66 1.707 4.905 6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.632 7.588 6.603 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.068 7.568 7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.732 5.705 8.838 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.209 5.453 7.930 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.771 8.506 9.087 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.191 8.959 10.035 1.00 0.00 H new ATOM 1082 N LEU A 67 -0.784 4.942 6.524 1.00 0.00 N ATOM 1083 CA LEU A 67 -2.233 4.886 6.516 1.00 0.00 C ATOM 1084 C LEU A 67 -2.683 4.494 7.915 1.00 0.00 C ATOM 1085 O LEU A 67 -2.024 3.728 8.586 1.00 0.00 O ATOM 1086 CB LEU A 67 -2.698 3.830 5.503 1.00 0.00 C ATOM 1087 CG LEU A 67 -4.183 4.027 5.178 1.00 0.00 C ATOM 1088 CD1 LEU A 67 -4.457 3.610 3.730 1.00 0.00 C ATOM 1089 CD2 LEU A 67 -5.030 3.164 6.111 1.00 0.00 C ATOM 0 H LEU A 67 -0.330 4.145 6.970 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.658 5.849 6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.106 3.904 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.536 2.831 5.908 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.439 5.078 5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.514 3.752 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.857 4.221 3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.196 2.560 3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.086 3.305 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.766 2.115 5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.844 3.455 7.145 1.00 0.00 H new ATOM 1101 N VAL A 68 -3.787 4.996 8.377 1.00 0.00 N ATOM 1102 CA VAL A 68 -4.205 4.613 9.707 1.00 0.00 C ATOM 1103 C VAL A 68 -5.581 3.998 9.671 1.00 0.00 C ATOM 1104 O VAL A 68 -6.344 4.145 8.738 1.00 0.00 O ATOM 1105 CB VAL A 68 -4.178 5.776 10.692 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.121 5.229 12.111 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.924 6.590 10.472 1.00 0.00 C ATOM 0 H VAL A 68 -4.399 5.646 7.884 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.484 3.876 10.061 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.068 6.388 10.545 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.101 6.057 12.820 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.999 4.612 12.298 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.221 4.626 12.233 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.902 7.422 11.175 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.049 5.960 10.629 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.915 6.976 9.453 1.00 0.00 H new ATOM 1117 N LEU A 69 -5.852 3.253 10.675 1.00 0.00 N ATOM 1118 CA LEU A 69 -7.088 2.536 10.767 1.00 0.00 C ATOM 1119 C LEU A 69 -8.110 3.375 11.523 1.00 0.00 C ATOM 1120 O LEU A 69 -7.758 4.087 12.442 1.00 0.00 O ATOM 1121 CB LEU A 69 -6.779 1.243 11.539 1.00 0.00 C ATOM 1122 CG LEU A 69 -5.631 0.433 10.860 1.00 0.00 C ATOM 1123 CD1 LEU A 69 -6.139 -0.894 10.335 1.00 0.00 C ATOM 1124 CD2 LEU A 69 -5.002 1.166 9.672 1.00 0.00 C ATOM 0 H LEU A 69 -5.225 3.115 11.468 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.502 2.314 9.783 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.497 1.488 12.563 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.677 0.627 11.594 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.882 0.295 11.640 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.319 -1.438 9.867 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.540 -1.482 11.160 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.924 -0.718 9.600 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.211 0.551 9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.764 1.355 8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.583 2.114 10.010 1.00 0.00 H new ATOM 1136 N HIS A 70 -9.379 3.284 11.174 1.00 0.00 N ATOM 1137 CA HIS A 70 -10.379 4.045 11.912 1.00 0.00 C ATOM 1138 C HIS A 70 -10.054 3.850 13.392 1.00 0.00 C ATOM 1139 O HIS A 70 -10.222 4.719 14.224 1.00 0.00 O ATOM 1140 CB HIS A 70 -11.776 3.495 11.617 1.00 0.00 C ATOM 1141 CG HIS A 70 -12.211 3.928 10.245 1.00 0.00 C ATOM 1142 ND1 HIS A 70 -13.083 4.987 10.047 1.00 0.00 N ATOM 1143 CD2 HIS A 70 -11.908 3.453 8.994 1.00 0.00 C ATOM 1144 CE1 HIS A 70 -13.272 5.113 8.722 1.00 0.00 C ATOM 1145 NE2 HIS A 70 -12.579 4.204 8.034 1.00 0.00 N ATOM 0 H HIS A 70 -9.738 2.711 10.410 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.364 5.098 11.631 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.770 2.407 11.681 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -12.484 3.854 12.364 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.249 2.623 8.786 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -13.908 5.860 8.269 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.548 4.085 7.021 1.00 0.00 H new ATOM 1153 N ALA A 71 -9.532 2.689 13.677 1.00 0.00 N ATOM 1154 CA ALA A 71 -9.121 2.366 15.018 1.00 0.00 C ATOM 1155 C ALA A 71 -7.798 3.088 15.289 1.00 0.00 C ATOM 1156 O ALA A 71 -7.540 4.150 14.757 1.00 0.00 O ATOM 1157 CB ALA A 71 -8.923 0.855 15.150 1.00 0.00 C ATOM 0 H ALA A 71 -9.380 1.946 12.995 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.880 2.679 15.735 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.612 0.616 16.167 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.860 0.344 14.928 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.156 0.526 14.449 1.00 0.00 H new ATOM 1163 N GLY A 72 -6.979 2.544 16.134 1.00 0.00 N ATOM 1164 CA GLY A 72 -5.722 3.196 16.466 1.00 0.00 C ATOM 1165 C GLY A 72 -4.570 2.369 15.921 1.00 0.00 C ATOM 1166 O GLY A 72 -3.657 1.991 16.629 1.00 0.00 O ATOM 0 H GLY A 72 -7.143 1.657 16.611 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.697 4.200 16.043 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.629 3.303 17.547 1.00 0.00 H new ATOM 1170 N ASP A 73 -4.632 2.070 14.668 1.00 0.00 N ATOM 1171 CA ASP A 73 -3.597 1.266 14.072 1.00 0.00 C ATOM 1172 C ASP A 73 -3.083 1.958 12.824 1.00 0.00 C ATOM 1173 O ASP A 73 -3.836 2.462 12.020 1.00 0.00 O ATOM 1174 CB ASP A 73 -4.153 -0.115 13.723 1.00 0.00 C ATOM 1175 CG ASP A 73 -4.069 -1.025 14.950 1.00 0.00 C ATOM 1176 OD1 ASP A 73 -3.759 -0.521 16.017 1.00 0.00 O ATOM 1177 OD2 ASP A 73 -4.315 -2.211 14.802 1.00 0.00 O ATOM 0 H ASP A 73 -5.376 2.362 14.034 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.775 1.143 14.777 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.188 -0.029 13.391 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.589 -0.548 12.897 1.00 0.00 H new ATOM 1182 N THR A 74 -1.797 2.001 12.676 1.00 0.00 N ATOM 1183 CA THR A 74 -1.232 2.668 11.532 1.00 0.00 C ATOM 1184 C THR A 74 -0.682 1.631 10.570 1.00 0.00 C ATOM 1185 O THR A 74 -0.412 0.504 10.935 1.00 0.00 O ATOM 1186 CB THR A 74 -0.104 3.597 11.984 1.00 0.00 C ATOM 1187 OG1 THR A 74 -0.298 3.946 13.348 1.00 0.00 O ATOM 1188 CG2 THR A 74 -0.108 4.862 11.125 1.00 0.00 C ATOM 0 H THR A 74 -1.121 1.590 13.320 1.00 0.00 H new ATOM 0 HA THR A 74 -2.003 3.256 11.035 1.00 0.00 H new ATOM 0 HB THR A 74 0.854 3.088 11.872 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.425 4.540 13.640 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.696 5.523 11.448 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.041 4.592 10.080 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.064 5.373 11.235 1.00 0.00 H new ATOM 1196 N THR A 75 -0.505 2.009 9.344 1.00 0.00 N ATOM 1197 CA THR A 75 0.020 1.096 8.368 1.00 0.00 C ATOM 1198 C THR A 75 1.107 1.840 7.600 1.00 0.00 C ATOM 1199 O THR A 75 0.824 2.718 6.809 1.00 0.00 O ATOM 1200 CB THR A 75 -1.092 0.671 7.406 1.00 0.00 C ATOM 1201 OG1 THR A 75 -2.315 0.557 8.121 1.00 0.00 O ATOM 1202 CG2 THR A 75 -0.738 -0.678 6.779 1.00 0.00 C ATOM 0 H THR A 75 -0.715 2.943 8.991 1.00 0.00 H new ATOM 0 HA THR A 75 0.421 0.202 8.846 1.00 0.00 H new ATOM 0 HB THR A 75 -1.198 1.418 6.619 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.067 0.637 7.498 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.530 -0.980 6.094 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.201 -0.590 6.232 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.632 -1.427 7.564 1.00 0.00 H new ATOM 1210 N ASN A 76 2.345 1.517 7.824 1.00 0.00 N ATOM 1211 CA ASN A 76 3.398 2.212 7.120 1.00 0.00 C ATOM 1212 C ASN A 76 4.002 1.258 6.107 1.00 0.00 C ATOM 1213 O ASN A 76 4.204 0.092 6.384 1.00 0.00 O ATOM 1214 CB ASN A 76 4.474 2.662 8.109 1.00 0.00 C ATOM 1215 CG ASN A 76 3.839 3.529 9.197 1.00 0.00 C ATOM 1216 OD1 ASN A 76 2.647 3.763 9.186 1.00 0.00 O ATOM 1217 ND2 ASN A 76 4.592 4.020 10.144 1.00 0.00 N ATOM 0 H ASN A 76 2.654 0.793 8.473 1.00 0.00 H new ATOM 0 HA ASN A 76 2.996 3.092 6.617 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.957 1.793 8.557 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.249 3.224 7.588 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.179 4.600 10.875 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.593 3.823 10.153 1.00 0.00 H new ATOM 1224 N PHE A 77 4.281 1.724 4.927 1.00 0.00 N ATOM 1225 CA PHE A 77 4.837 0.831 3.945 1.00 0.00 C ATOM 1226 C PHE A 77 5.819 1.565 3.031 1.00 0.00 C ATOM 1227 O PHE A 77 5.741 2.759 2.823 1.00 0.00 O ATOM 1228 CB PHE A 77 3.715 0.203 3.130 1.00 0.00 C ATOM 1229 CG PHE A 77 3.678 -1.270 3.428 1.00 0.00 C ATOM 1230 CD1 PHE A 77 4.866 -1.994 3.383 1.00 0.00 C ATOM 1231 CD2 PHE A 77 2.475 -1.917 3.740 1.00 0.00 C ATOM 1232 CE1 PHE A 77 4.869 -3.353 3.641 1.00 0.00 C ATOM 1233 CE2 PHE A 77 2.478 -3.286 4.001 1.00 0.00 C ATOM 1234 CZ PHE A 77 3.683 -3.999 3.947 1.00 0.00 C ATOM 0 H PHE A 77 4.140 2.687 4.622 1.00 0.00 H new ATOM 0 HA PHE A 77 5.387 0.044 4.461 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.760 0.665 3.381 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.880 0.370 2.066 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.792 -1.491 3.145 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.551 -1.358 3.778 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.794 -3.909 3.604 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.557 -3.795 4.244 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.687 -5.061 4.146 1.00 0.00 H new ATOM 1244 N HIS A 78 6.777 0.837 2.541 1.00 0.00 N ATOM 1245 CA HIS A 78 7.796 1.443 1.717 1.00 0.00 C ATOM 1246 C HIS A 78 8.261 0.520 0.586 1.00 0.00 C ATOM 1247 O HIS A 78 8.188 -0.684 0.656 1.00 0.00 O ATOM 1248 CB HIS A 78 9.005 1.792 2.601 1.00 0.00 C ATOM 1249 CG HIS A 78 10.164 2.161 1.731 1.00 0.00 C ATOM 1250 ND1 HIS A 78 10.812 1.216 0.973 1.00 0.00 N ATOM 1251 CD2 HIS A 78 10.808 3.347 1.482 1.00 0.00 C ATOM 1252 CE1 HIS A 78 11.796 1.827 0.318 1.00 0.00 C ATOM 1253 NE2 HIS A 78 11.845 3.126 0.590 1.00 0.00 N ATOM 0 H HIS A 78 6.880 -0.167 2.691 1.00 0.00 H new ATOM 0 HA HIS A 78 7.366 2.334 1.260 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.757 2.619 3.266 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.266 0.943 3.232 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.580 0.224 0.922 1.00 0.00 H new ATOM 0 HD2 HIS A 78 10.548 4.302 1.913 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.475 1.325 -0.356 1.00 0.00 H new ATOM 1261 N PHE A 79 8.776 1.130 -0.441 1.00 0.00 N ATOM 1262 CA PHE A 79 9.307 0.407 -1.580 1.00 0.00 C ATOM 1263 C PHE A 79 10.523 1.199 -2.094 1.00 0.00 C ATOM 1264 O PHE A 79 10.441 2.405 -2.210 1.00 0.00 O ATOM 1265 CB PHE A 79 8.322 0.415 -2.736 1.00 0.00 C ATOM 1266 CG PHE A 79 6.872 0.342 -2.325 1.00 0.00 C ATOM 1267 CD1 PHE A 79 6.259 1.408 -1.652 1.00 0.00 C ATOM 1268 CD2 PHE A 79 6.119 -0.771 -2.699 1.00 0.00 C ATOM 1269 CE1 PHE A 79 4.889 1.346 -1.350 1.00 0.00 C ATOM 1270 CE2 PHE A 79 4.763 -0.835 -2.389 1.00 0.00 C ATOM 1271 CZ PHE A 79 4.148 0.216 -1.719 1.00 0.00 C ATOM 0 H PHE A 79 8.844 2.145 -0.521 1.00 0.00 H new ATOM 0 HA PHE A 79 9.532 -0.613 -1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.475 1.322 -3.321 1.00 0.00 H new ATOM 0 HB3 PHE A 79 8.543 -0.428 -3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.838 2.274 -1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 79 6.589 -1.585 -3.230 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.409 2.166 -0.836 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.187 -1.704 -2.670 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.096 0.161 -1.482 1.00 0.00 H new ATOM 1346 N ALA A 85 13.164 1.159 -7.323 1.00 0.00 N ATOM 1347 CA ALA A 85 12.610 2.160 -6.420 1.00 0.00 C ATOM 1348 C ALA A 85 11.994 3.313 -7.222 1.00 0.00 C ATOM 1349 O ALA A 85 12.412 4.445 -7.083 1.00 0.00 O ATOM 1350 CB ALA A 85 13.728 2.723 -5.541 1.00 0.00 C ATOM 0 HA ALA A 85 11.842 1.691 -5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.317 3.472 -4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 85 14.175 1.916 -4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 85 14.490 3.182 -6.171 1.00 0.00 H new ATOM 1356 N VAL A 86 11.034 3.069 -8.062 1.00 0.00 N ATOM 1357 CA VAL A 86 10.485 4.184 -8.823 1.00 0.00 C ATOM 1358 C VAL A 86 9.019 3.951 -9.242 1.00 0.00 C ATOM 1359 O VAL A 86 8.206 3.478 -8.473 1.00 0.00 O ATOM 1360 CB VAL A 86 11.357 4.413 -10.061 1.00 0.00 C ATOM 1361 CG1 VAL A 86 12.824 4.538 -9.645 1.00 0.00 C ATOM 1362 CG2 VAL A 86 11.200 3.230 -11.019 1.00 0.00 C ATOM 0 H VAL A 86 10.619 2.155 -8.244 1.00 0.00 H new ATOM 0 HA VAL A 86 10.490 5.065 -8.182 1.00 0.00 H new ATOM 0 HB VAL A 86 11.044 5.332 -10.557 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.440 4.701 -10.529 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.938 5.380 -8.963 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.140 3.622 -9.146 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.820 3.391 -11.901 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.512 2.313 -10.519 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.156 3.142 -11.320 1.00 0.00 H new ATOM 1372 N LYS A 87 8.688 4.318 -10.468 1.00 0.00 N ATOM 1373 CA LYS A 87 7.330 4.180 -10.978 1.00 0.00 C ATOM 1374 C LYS A 87 6.646 2.936 -10.420 1.00 0.00 C ATOM 1375 O LYS A 87 5.487 2.977 -10.062 1.00 0.00 O ATOM 1376 CB LYS A 87 7.372 4.088 -12.504 1.00 0.00 C ATOM 1377 CG LYS A 87 7.182 5.482 -13.105 1.00 0.00 C ATOM 1378 CD LYS A 87 8.267 5.740 -14.152 1.00 0.00 C ATOM 1379 CE LYS A 87 8.136 4.721 -15.285 1.00 0.00 C ATOM 1380 NZ LYS A 87 8.172 5.428 -16.595 1.00 0.00 N ATOM 0 H LYS A 87 9.347 4.718 -11.136 1.00 0.00 H new ATOM 0 HA LYS A 87 6.759 5.053 -10.663 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.324 3.668 -12.827 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.590 3.417 -12.860 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.195 5.561 -13.562 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.232 6.237 -12.321 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.173 6.752 -14.546 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.254 5.666 -13.694 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.946 3.994 -15.230 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.203 4.167 -15.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.083 4.735 -17.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.385 6.106 -16.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.074 5.937 -16.690 1.00 0.00 H new ATOM 1394 N GLU A 88 7.334 1.834 -10.324 1.00 0.00 N ATOM 1395 CA GLU A 88 6.702 0.646 -9.778 1.00 0.00 C ATOM 1396 C GLU A 88 5.986 1.027 -8.484 1.00 0.00 C ATOM 1397 O GLU A 88 4.771 1.108 -8.404 1.00 0.00 O ATOM 1398 CB GLU A 88 7.771 -0.409 -9.442 1.00 0.00 C ATOM 1399 CG GLU A 88 9.118 0.254 -9.133 1.00 0.00 C ATOM 1400 CD GLU A 88 10.093 -0.006 -10.283 1.00 0.00 C ATOM 1401 OE1 GLU A 88 9.848 -0.928 -11.045 1.00 0.00 O ATOM 1402 OE2 GLU A 88 11.068 0.720 -10.383 1.00 0.00 O ATOM 0 H GLU A 88 8.308 1.723 -10.606 1.00 0.00 H new ATOM 0 HA GLU A 88 6.002 0.241 -10.509 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.447 -1.000 -8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.884 -1.097 -10.280 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.983 1.326 -8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.524 -0.141 -8.202 1.00 0.00 H new ATOM 1409 N ARG A 89 6.760 1.273 -7.480 1.00 0.00 N ATOM 1410 CA ARG A 89 6.232 1.657 -6.198 1.00 0.00 C ATOM 1411 C ARG A 89 5.508 2.981 -6.370 1.00 0.00 C ATOM 1412 O ARG A 89 4.358 3.128 -6.002 1.00 0.00 O ATOM 1413 CB ARG A 89 7.396 1.821 -5.221 1.00 0.00 C ATOM 1414 CG ARG A 89 8.483 0.771 -5.526 1.00 0.00 C ATOM 1415 CD ARG A 89 7.827 -0.607 -5.634 1.00 0.00 C ATOM 1416 NE ARG A 89 8.848 -1.612 -5.843 1.00 0.00 N ATOM 1417 CZ ARG A 89 8.553 -2.880 -5.729 1.00 0.00 C ATOM 1418 NH1 ARG A 89 7.340 -3.247 -5.414 1.00 0.00 N ATOM 1419 NH2 ARG A 89 9.472 -3.785 -5.928 1.00 0.00 N ATOM 0 H ARG A 89 7.778 1.216 -7.517 1.00 0.00 H new ATOM 0 HA ARG A 89 5.544 0.905 -5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.813 2.825 -5.303 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.042 1.705 -4.196 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.995 1.018 -6.456 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.236 0.769 -4.738 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.266 -0.827 -4.726 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.115 -0.619 -6.459 1.00 0.00 H new ATOM 0 HE ARG A 89 9.799 -1.330 -6.080 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.619 -2.543 -5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.114 -4.238 -5.326 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.421 -3.503 -6.173 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.241 -4.775 -5.839 1.00 0.00 H new ATOM 1433 N ASP A 90 6.202 3.945 -6.926 1.00 0.00 N ATOM 1434 CA ASP A 90 5.612 5.259 -7.151 1.00 0.00 C ATOM 1435 C ASP A 90 4.142 5.060 -7.516 1.00 0.00 C ATOM 1436 O ASP A 90 3.260 5.650 -6.927 1.00 0.00 O ATOM 1437 CB ASP A 90 6.341 5.964 -8.297 1.00 0.00 C ATOM 1438 CG ASP A 90 7.134 7.149 -7.743 1.00 0.00 C ATOM 1439 OD1 ASP A 90 6.788 7.620 -6.672 1.00 0.00 O ATOM 1440 OD2 ASP A 90 8.075 7.566 -8.399 1.00 0.00 O ATOM 0 H ASP A 90 7.171 3.854 -7.232 1.00 0.00 H new ATOM 0 HA ASP A 90 5.699 5.873 -6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.011 5.267 -8.799 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.623 6.309 -9.041 1.00 0.00 H new ATOM 1445 N ALA A 91 3.880 4.194 -8.458 1.00 0.00 N ATOM 1446 CA ALA A 91 2.512 3.918 -8.831 1.00 0.00 C ATOM 1447 C ALA A 91 1.776 3.363 -7.607 1.00 0.00 C ATOM 1448 O ALA A 91 0.736 3.862 -7.238 1.00 0.00 O ATOM 1449 CB ALA A 91 2.484 2.886 -9.961 1.00 0.00 C ATOM 0 H ALA A 91 4.584 3.671 -8.978 1.00 0.00 H new ATOM 0 HA ALA A 91 2.027 4.832 -9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.451 2.680 -10.240 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.022 3.277 -10.824 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.959 1.965 -9.624 1.00 0.00 H new ATOM 1455 N VAL A 92 2.314 2.328 -6.983 1.00 0.00 N ATOM 1456 CA VAL A 92 1.655 1.748 -5.811 1.00 0.00 C ATOM 1457 C VAL A 92 1.062 2.879 -4.968 1.00 0.00 C ATOM 1458 O VAL A 92 -0.138 2.973 -4.785 1.00 0.00 O ATOM 1459 CB VAL A 92 2.665 0.985 -4.944 1.00 0.00 C ATOM 1460 CG1 VAL A 92 2.079 0.784 -3.549 1.00 0.00 C ATOM 1461 CG2 VAL A 92 2.960 -0.387 -5.539 1.00 0.00 C ATOM 0 H VAL A 92 3.187 1.876 -7.256 1.00 0.00 H new ATOM 0 HA VAL A 92 0.879 1.062 -6.151 1.00 0.00 H new ATOM 0 HB VAL A 92 3.587 1.565 -4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.793 0.242 -2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.871 1.754 -3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.154 0.212 -3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.678 -0.910 -4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.038 -0.965 -5.595 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.375 -0.268 -6.540 1.00 0.00 H new ATOM 1471 N LYS A 93 1.889 3.761 -4.488 1.00 0.00 N ATOM 1472 CA LYS A 93 1.369 4.868 -3.725 1.00 0.00 C ATOM 1473 C LYS A 93 0.385 5.599 -4.641 1.00 0.00 C ATOM 1474 O LYS A 93 -0.768 5.830 -4.291 1.00 0.00 O ATOM 1475 CB LYS A 93 2.521 5.787 -3.312 1.00 0.00 C ATOM 1476 CG LYS A 93 2.002 6.886 -2.381 1.00 0.00 C ATOM 1477 CD LYS A 93 3.181 7.702 -1.848 1.00 0.00 C ATOM 1478 CE LYS A 93 3.782 8.532 -2.984 1.00 0.00 C ATOM 1479 NZ LYS A 93 2.710 9.340 -3.629 1.00 0.00 N ATOM 0 H LYS A 93 2.902 3.743 -4.604 1.00 0.00 H new ATOM 0 HA LYS A 93 0.869 4.539 -2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.297 5.209 -2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.977 6.232 -4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.310 7.535 -2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.448 6.444 -1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.849 8.356 -1.042 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.937 7.038 -1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.563 9.187 -2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.251 7.877 -3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.130 10.179 -4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.229 8.766 -4.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.021 9.640 -2.910 1.00 0.00 H new ATOM 1493 N ASP A 94 0.847 5.924 -5.835 1.00 0.00 N ATOM 1494 CA ASP A 94 0.021 6.604 -6.826 1.00 0.00 C ATOM 1495 C ASP A 94 -1.376 5.992 -6.878 1.00 0.00 C ATOM 1496 O ASP A 94 -2.326 6.644 -7.263 1.00 0.00 O ATOM 1497 CB ASP A 94 0.664 6.473 -8.208 1.00 0.00 C ATOM 1498 CG ASP A 94 0.350 7.720 -9.036 1.00 0.00 C ATOM 1499 OD1 ASP A 94 -0.581 8.424 -8.680 1.00 0.00 O ATOM 1500 OD2 ASP A 94 1.046 7.951 -10.011 1.00 0.00 O ATOM 0 H ASP A 94 1.798 5.727 -6.147 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.057 7.653 -6.542 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.743 6.351 -8.109 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.288 5.584 -8.713 1.00 0.00 H new ATOM 1505 N LEU A 95 -1.534 4.766 -6.463 1.00 0.00 N ATOM 1506 CA LEU A 95 -2.855 4.187 -6.467 1.00 0.00 C ATOM 1507 C LEU A 95 -3.480 4.527 -5.132 1.00 0.00 C ATOM 1508 O LEU A 95 -4.618 4.930 -5.055 1.00 0.00 O ATOM 1509 CB LEU A 95 -2.780 2.669 -6.620 1.00 0.00 C ATOM 1510 CG LEU A 95 -1.567 2.292 -7.463 1.00 0.00 C ATOM 1511 CD1 LEU A 95 -1.698 0.835 -7.895 1.00 0.00 C ATOM 1512 CD2 LEU A 95 -1.504 3.187 -8.704 1.00 0.00 C ATOM 0 H LEU A 95 -0.788 4.158 -6.125 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.440 4.577 -7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.712 2.199 -5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.690 2.297 -7.090 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.657 2.426 -6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.835 0.556 -8.499 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.746 0.197 -7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.608 0.710 -8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.636 2.915 -9.305 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.410 3.054 -9.295 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.421 4.230 -8.397 1.00 0.00 H new ATOM 1524 N LEU A 96 -2.718 4.372 -4.081 1.00 0.00 N ATOM 1525 CA LEU A 96 -3.202 4.681 -2.751 1.00 0.00 C ATOM 1526 C LEU A 96 -4.050 5.958 -2.788 1.00 0.00 C ATOM 1527 O LEU A 96 -5.224 5.945 -2.474 1.00 0.00 O ATOM 1528 CB LEU A 96 -1.995 4.887 -1.833 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.163 3.596 -1.763 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.325 3.603 -0.492 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -2.087 2.379 -1.751 1.00 0.00 C ATOM 0 H LEU A 96 -1.757 4.033 -4.115 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.820 3.863 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.380 5.706 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.330 5.168 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.512 3.544 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.266 2.688 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.342 4.465 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.981 3.660 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.489 1.469 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.744 2.430 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.688 2.369 -2.660 1.00 0.00 H new ATOM 1543 N GLN A 97 -3.463 7.062 -3.163 1.00 0.00 N ATOM 1544 CA GLN A 97 -4.239 8.303 -3.205 1.00 0.00 C ATOM 1545 C GLN A 97 -5.256 8.264 -4.346 1.00 0.00 C ATOM 1546 O GLN A 97 -6.043 9.172 -4.526 1.00 0.00 O ATOM 1547 CB GLN A 97 -3.344 9.511 -3.411 1.00 0.00 C ATOM 1548 CG GLN A 97 -2.681 9.458 -4.784 1.00 0.00 C ATOM 1549 CD GLN A 97 -1.186 9.258 -4.598 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -0.721 8.051 -4.604 1.00 0.00 O flip ATOM 1551 NE2 GLN A 97 -0.440 10.204 -4.446 1.00 0.00 N flip ATOM 0 H GLN A 97 -2.484 7.144 -3.438 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.750 8.390 -2.246 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.930 10.425 -3.319 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.581 9.542 -2.633 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -3.100 8.643 -5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -2.873 10.380 -5.332 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.814 11.153 -4.442 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.561 10.050 -4.322 1.00 0.00 H new ATOM 1560 N GLN A 98 -5.255 7.214 -5.095 1.00 0.00 N ATOM 1561 CA GLN A 98 -6.198 7.079 -6.183 1.00 0.00 C ATOM 1562 C GLN A 98 -7.441 6.340 -5.669 1.00 0.00 C ATOM 1563 O GLN A 98 -8.556 6.650 -6.038 1.00 0.00 O ATOM 1564 CB GLN A 98 -5.546 6.286 -7.316 1.00 0.00 C ATOM 1565 CG GLN A 98 -6.147 6.724 -8.651 1.00 0.00 C ATOM 1566 CD GLN A 98 -6.309 5.506 -9.563 1.00 0.00 C ATOM 1567 OE1 GLN A 98 -5.954 5.550 -10.724 1.00 0.00 O ATOM 1568 NE2 GLN A 98 -6.834 4.412 -9.082 1.00 0.00 N ATOM 0 H GLN A 98 -4.615 6.428 -4.984 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.489 8.060 -6.558 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.469 6.451 -7.318 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.704 5.218 -7.166 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.114 7.200 -8.488 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.503 7.464 -9.126 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.132 4.375 -8.107 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.946 3.594 -9.681 1.00 0.00 H new ATOM 1577 N LEU A 99 -7.255 5.379 -4.798 1.00 0.00 N ATOM 1578 CA LEU A 99 -8.396 4.656 -4.249 1.00 0.00 C ATOM 1579 C LEU A 99 -8.832 5.372 -2.983 1.00 0.00 C ATOM 1580 O LEU A 99 -9.971 5.310 -2.582 1.00 0.00 O ATOM 1581 CB LEU A 99 -8.023 3.216 -3.859 1.00 0.00 C ATOM 1582 CG LEU A 99 -6.676 2.830 -4.449 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -5.627 3.054 -3.378 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -6.682 1.355 -4.851 1.00 0.00 C ATOM 0 H LEU A 99 -6.344 5.076 -4.453 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.181 4.623 -5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.989 3.125 -2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.791 2.528 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.465 3.430 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.645 2.786 -3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.626 4.103 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.854 2.434 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.713 1.089 -5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.877 0.739 -3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.460 1.184 -5.595 1.00 0.00 H new ATOM 1596 N LEU A 100 -7.903 6.005 -2.321 1.00 0.00 N ATOM 1597 CA LEU A 100 -8.207 6.675 -1.079 1.00 0.00 C ATOM 1598 C LEU A 100 -9.527 7.422 -1.247 1.00 0.00 C ATOM 1599 O LEU A 100 -10.413 7.329 -0.423 1.00 0.00 O ATOM 1600 CB LEU A 100 -7.062 7.637 -0.722 1.00 0.00 C ATOM 1601 CG LEU A 100 -7.555 8.718 0.243 1.00 0.00 C ATOM 1602 CD1 LEU A 100 -7.832 8.092 1.610 1.00 0.00 C ATOM 1603 CD2 LEU A 100 -6.480 9.797 0.387 1.00 0.00 C ATOM 0 H LEU A 100 -6.929 6.073 -2.617 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.307 5.957 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.241 7.082 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.672 8.100 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.471 9.164 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.183 8.861 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.595 7.320 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.916 7.648 1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.828 10.568 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.566 9.350 0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.279 10.243 -0.587 1.00 0.00 H new ATOM 1615 N PRO A 101 -9.620 8.101 -2.349 1.00 0.00 N ATOM 1616 CA PRO A 101 -10.870 8.826 -2.653 1.00 0.00 C ATOM 1617 C PRO A 101 -12.074 7.871 -2.617 1.00 0.00 C ATOM 1618 O PRO A 101 -13.170 8.239 -2.246 1.00 0.00 O ATOM 1619 CB PRO A 101 -10.649 9.339 -4.074 1.00 0.00 C ATOM 1620 CG PRO A 101 -9.137 9.363 -4.325 1.00 0.00 C ATOM 1621 CD PRO A 101 -8.512 8.447 -3.279 1.00 0.00 C ATOM 0 HA PRO A 101 -11.083 9.619 -1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.147 8.693 -4.797 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -11.073 10.336 -4.192 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.905 9.017 -5.332 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.745 10.376 -4.238 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.091 7.553 -3.740 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.699 8.947 -2.753 1.00 0.00 H new ATOM 1629 N LYS A 102 -11.862 6.654 -3.024 1.00 0.00 N ATOM 1630 CA LYS A 102 -12.925 5.661 -3.061 1.00 0.00 C ATOM 1631 C LYS A 102 -13.626 5.513 -1.706 1.00 0.00 C ATOM 1632 O LYS A 102 -14.830 5.369 -1.641 1.00 0.00 O ATOM 1633 CB LYS A 102 -12.306 4.313 -3.422 1.00 0.00 C ATOM 1634 CG LYS A 102 -13.397 3.249 -3.528 1.00 0.00 C ATOM 1635 CD LYS A 102 -13.303 2.556 -4.888 1.00 0.00 C ATOM 1636 CE LYS A 102 -14.443 3.037 -5.787 1.00 0.00 C ATOM 1637 NZ LYS A 102 -14.364 2.343 -7.104 1.00 0.00 N ATOM 0 H LYS A 102 -10.955 6.311 -3.341 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.664 5.985 -3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.770 4.391 -4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.577 4.024 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -13.286 2.518 -2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.379 3.707 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.342 2.775 -5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.357 1.475 -4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -15.404 2.834 -5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.379 4.116 -5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.139 2.670 -7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.452 2.558 -7.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.446 1.316 -6.961 1.00 0.00 H new ATOM 1651 N PHE A 103 -12.892 5.492 -0.629 1.00 0.00 N ATOM 1652 CA PHE A 103 -13.529 5.294 0.666 1.00 0.00 C ATOM 1653 C PHE A 103 -13.534 6.600 1.460 1.00 0.00 C ATOM 1654 O PHE A 103 -14.099 6.681 2.532 1.00 0.00 O ATOM 1655 CB PHE A 103 -12.794 4.192 1.459 1.00 0.00 C ATOM 1656 CG PHE A 103 -11.399 4.019 0.915 1.00 0.00 C ATOM 1657 CD1 PHE A 103 -11.219 3.436 -0.342 1.00 0.00 C ATOM 1658 CD2 PHE A 103 -10.294 4.460 1.652 1.00 0.00 C ATOM 1659 CE1 PHE A 103 -9.937 3.293 -0.869 1.00 0.00 C ATOM 1660 CE2 PHE A 103 -9.004 4.313 1.129 1.00 0.00 C ATOM 1661 CZ PHE A 103 -8.825 3.730 -0.135 1.00 0.00 C ATOM 0 H PHE A 103 -11.879 5.605 -0.607 1.00 0.00 H new ATOM 0 HA PHE A 103 -14.560 4.981 0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -12.752 4.457 2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.342 3.252 1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -12.075 3.096 -0.906 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -10.436 4.913 2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.800 2.846 -1.842 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.148 4.647 1.697 1.00 0.00 H new ATOM 0 HZ PHE A 103 -7.831 3.618 -0.542 1.00 0.00 H new