USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 764 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 88 HIS :FLIP no HD1:sc= -22.6! C(o=-24!,f=-23!) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 101 TYR OH : rot 168:sc= 0.00824 USER MOD Set 2.1: A 21 MET CE :methyl -125:sc= -0.047 (180deg=-2.69!) USER MOD Set 2.2: A 76 TYR OH : rot 98:sc= -1.7! USER MOD Set 3.1: A 41 MET CE :methyl -166:sc= -4.1! (180deg=-4.38!) USER MOD Set 3.2: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 28 MET CE :methyl -125:sc= -17.5! (180deg=-20.2!) USER MOD Set 4.2: A 80 MET CE :methyl 154:sc= -9.85! (180deg=-9.94!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -61:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0227 USER MOD Single : A 29 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.0029) USER MOD Single : A 33 SER OG : rot -86:sc= 1.04 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -6.66! C(o=-6.7!,f=-7.8!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 94:sc= 0.239 USER MOD Single : A 63 HIS : no HD1:sc= -30.1! C(o=-30!,f=-30!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= 0.15 (180deg=0.0672) USER MOD Single : A 78 SER OG : rot 180:sc= -0.226 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -122:sc=-0.00717 (180deg=-0.0875) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.032) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -16:sc= 1.54 USER MOD Single : A 96 SER OG : rot 32:sc= 0.00209 USER MOD Single : A 98 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.075) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 14 4.468 11.339 -5.005 1.00 0.00 N ATOM 28 CA PRO A 14 5.764 11.293 -4.362 1.00 0.00 C ATOM 29 C PRO A 14 6.377 9.912 -4.549 1.00 0.00 C ATOM 30 O PRO A 14 7.554 9.709 -4.261 1.00 0.00 O ATOM 31 CB PRO A 14 5.480 11.571 -2.888 1.00 0.00 C ATOM 32 CG PRO A 14 4.071 11.009 -2.703 1.00 0.00 C ATOM 33 CD PRO A 14 3.398 11.349 -4.031 1.00 0.00 C ATOM 0 HA PRO A 14 6.469 12.013 -4.776 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.201 11.077 -2.237 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.524 12.636 -2.662 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.084 9.935 -2.519 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.558 11.471 -1.859 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.629 10.619 -4.282 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.911 12.323 -3.989 1.00 0.00 H new ATOM 41 N LEU A 15 5.573 8.961 -5.031 1.00 0.00 N ATOM 42 CA LEU A 15 6.039 7.606 -5.252 1.00 0.00 C ATOM 43 C LEU A 15 5.738 7.183 -6.683 1.00 0.00 C ATOM 44 O LEU A 15 4.987 7.855 -7.387 1.00 0.00 O ATOM 45 CB LEU A 15 5.361 6.668 -4.258 1.00 0.00 C ATOM 46 CG LEU A 15 4.863 7.471 -3.060 1.00 0.00 C ATOM 47 CD1 LEU A 15 3.940 6.600 -2.212 1.00 0.00 C ATOM 48 CD2 LEU A 15 6.053 7.921 -2.218 1.00 0.00 C ATOM 0 H LEU A 15 4.594 9.114 -5.274 1.00 0.00 H new ATOM 0 HA LEU A 15 7.117 7.559 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.527 6.154 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.062 5.901 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 15 4.316 8.346 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.584 7.173 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.089 6.279 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.487 5.725 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.697 8.495 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.601 7.047 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.712 8.543 -2.823 1.00 0.00 H new ATOM 60 N THR A 16 6.326 6.065 -7.114 1.00 0.00 N ATOM 61 CA THR A 16 6.114 5.562 -8.456 1.00 0.00 C ATOM 62 C THR A 16 6.155 4.041 -8.453 1.00 0.00 C ATOM 63 O THR A 16 5.343 3.394 -9.110 1.00 0.00 O ATOM 64 CB THR A 16 7.184 6.129 -9.385 1.00 0.00 C ATOM 65 OG1 THR A 16 7.622 7.375 -8.891 1.00 0.00 O ATOM 66 CG2 THR A 16 6.600 6.313 -10.782 1.00 0.00 C ATOM 0 H THR A 16 6.953 5.496 -6.545 1.00 0.00 H new ATOM 0 HA THR A 16 5.134 5.877 -8.814 1.00 0.00 H new ATOM 0 HB THR A 16 8.027 5.439 -9.432 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.310 7.739 -9.486 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.364 6.718 -11.445 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.261 5.350 -11.164 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.757 7.003 -10.736 1.00 0.00 H new ATOM 74 N VAL A 17 7.105 3.470 -7.708 1.00 0.00 N ATOM 75 CA VAL A 17 7.248 2.031 -7.622 1.00 0.00 C ATOM 76 C VAL A 17 8.514 1.685 -6.850 1.00 0.00 C ATOM 77 O VAL A 17 8.553 0.687 -6.134 1.00 0.00 O ATOM 78 CB VAL A 17 7.292 1.439 -9.028 1.00 0.00 C ATOM 79 CG1 VAL A 17 8.552 0.593 -9.185 1.00 0.00 C ATOM 80 CG2 VAL A 17 6.062 0.565 -9.250 1.00 0.00 C ATOM 0 H VAL A 17 7.785 3.993 -7.157 1.00 0.00 H new ATOM 0 HA VAL A 17 6.395 1.607 -7.092 1.00 0.00 H new ATOM 0 HB VAL A 17 7.302 2.245 -9.761 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.584 0.170 -10.189 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.431 1.217 -9.026 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.542 -0.214 -8.452 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.093 0.142 -10.254 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.051 -0.241 -8.517 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.162 1.169 -9.138 1.00 0.00 H new ATOM 90 N LYS A 18 9.550 2.513 -6.998 1.00 0.00 N ATOM 91 CA LYS A 18 10.809 2.289 -6.315 1.00 0.00 C ATOM 92 C LYS A 18 11.064 3.411 -5.319 1.00 0.00 C ATOM 93 O LYS A 18 12.211 3.777 -5.073 1.00 0.00 O ATOM 94 CB LYS A 18 11.936 2.210 -7.341 1.00 0.00 C ATOM 95 CG LYS A 18 11.923 0.837 -8.007 1.00 0.00 C ATOM 96 CD LYS A 18 13.212 0.643 -8.799 1.00 0.00 C ATOM 97 CE LYS A 18 12.934 0.854 -10.285 1.00 0.00 C ATOM 98 NZ LYS A 18 12.961 -0.424 -11.013 1.00 0.00 N ATOM 0 H LYS A 18 9.534 3.345 -7.588 1.00 0.00 H new ATOM 0 HA LYS A 18 10.767 1.348 -5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.814 2.991 -8.091 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.897 2.381 -6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.826 0.056 -7.253 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.061 0.750 -8.668 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.971 1.347 -8.457 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.607 -0.359 -8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.961 1.329 -10.413 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.677 1.532 -10.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.769 -0.254 -12.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.898 -0.863 -10.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.235 -1.060 -10.625 1.00 0.00 H new ATOM 112 N SER A 19 9.990 3.956 -4.744 1.00 0.00 N ATOM 113 CA SER A 19 10.103 5.031 -3.779 1.00 0.00 C ATOM 114 C SER A 19 10.426 4.459 -2.406 1.00 0.00 C ATOM 115 O SER A 19 9.766 4.789 -1.423 1.00 0.00 O ATOM 116 CB SER A 19 8.798 5.821 -3.743 1.00 0.00 C ATOM 117 OG SER A 19 9.072 7.166 -3.419 1.00 0.00 O ATOM 0 H SER A 19 9.032 3.663 -4.937 1.00 0.00 H new ATOM 0 HA SER A 19 10.910 5.703 -4.070 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.299 5.763 -4.710 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.119 5.389 -3.007 1.00 0.00 H new ATOM 0 HG SER A 19 9.482 7.211 -2.530 1.00 0.00 H new ATOM 123 N ASP A 20 11.446 3.601 -2.339 1.00 0.00 N ATOM 124 CA ASP A 20 11.851 2.990 -1.089 1.00 0.00 C ATOM 125 C ASP A 20 10.664 2.277 -0.457 1.00 0.00 C ATOM 126 O ASP A 20 9.756 2.921 0.062 1.00 0.00 O ATOM 127 CB ASP A 20 12.399 4.063 -0.153 1.00 0.00 C ATOM 128 CG ASP A 20 13.921 4.036 -0.127 1.00 0.00 C ATOM 129 OD1 ASP A 20 14.460 3.247 0.679 1.00 0.00 O ATOM 130 OD2 ASP A 20 14.516 4.804 -0.913 1.00 0.00 O ATOM 0 H ASP A 20 12.004 3.318 -3.145 1.00 0.00 H new ATOM 0 HA ASP A 20 12.634 2.255 -1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.054 5.045 -0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.011 3.906 0.854 1.00 0.00 H new ATOM 136 N MET A 21 10.672 0.943 -0.502 1.00 0.00 N ATOM 137 CA MET A 21 9.596 0.154 0.064 1.00 0.00 C ATOM 138 C MET A 21 9.200 0.718 1.421 1.00 0.00 C ATOM 139 O MET A 21 8.020 0.744 1.765 1.00 0.00 O ATOM 140 CB MET A 21 10.046 -1.298 0.194 1.00 0.00 C ATOM 141 CG MET A 21 9.536 -2.098 -1.002 1.00 0.00 C ATOM 142 SD MET A 21 10.814 -2.485 -2.225 1.00 0.00 S ATOM 143 CE MET A 21 10.790 -0.940 -3.167 1.00 0.00 C ATOM 0 H MET A 21 11.418 0.393 -0.928 1.00 0.00 H new ATOM 0 HA MET A 21 8.726 0.195 -0.592 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.134 -1.350 0.243 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.665 -1.726 1.121 1.00 0.00 H new ATOM 0 HG2 MET A 21 9.097 -3.029 -0.643 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.739 -1.536 -1.489 1.00 0.00 H new ATOM 0 HE1 MET A 21 10.621 -1.159 -4.221 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.989 -0.300 -2.797 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.746 -0.428 -3.051 1.00 0.00 H new ATOM 153 N SER A 22 10.190 1.171 2.193 1.00 0.00 N ATOM 154 CA SER A 22 9.940 1.732 3.505 1.00 0.00 C ATOM 155 C SER A 22 9.149 3.026 3.371 1.00 0.00 C ATOM 156 O SER A 22 8.256 3.297 4.172 1.00 0.00 O ATOM 157 CB SER A 22 11.268 1.982 4.213 1.00 0.00 C ATOM 158 OG SER A 22 11.067 1.967 5.609 1.00 0.00 O ATOM 0 H SER A 22 11.173 1.156 1.923 1.00 0.00 H new ATOM 0 HA SER A 22 9.354 1.030 4.098 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.992 1.218 3.931 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.682 2.942 3.905 1.00 0.00 H new ATOM 0 HG SER A 22 11.920 2.126 6.064 1.00 0.00 H new ATOM 164 N ALA A 23 9.477 3.825 2.354 1.00 0.00 N ATOM 165 CA ALA A 23 8.798 5.084 2.120 1.00 0.00 C ATOM 166 C ALA A 23 7.366 4.822 1.677 1.00 0.00 C ATOM 167 O ALA A 23 6.467 5.601 1.986 1.00 0.00 O ATOM 168 CB ALA A 23 9.555 5.880 1.061 1.00 0.00 C ATOM 0 H ALA A 23 10.214 3.614 1.681 1.00 0.00 H new ATOM 0 HA ALA A 23 8.772 5.665 3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.045 6.827 0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.570 6.074 1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.591 5.309 0.133 1.00 0.00 H new ATOM 174 N ILE A 24 7.156 3.722 0.950 1.00 0.00 N ATOM 175 CA ILE A 24 5.837 3.362 0.469 1.00 0.00 C ATOM 176 C ILE A 24 4.935 3.021 1.647 1.00 0.00 C ATOM 177 O ILE A 24 3.880 3.628 1.818 1.00 0.00 O ATOM 178 CB ILE A 24 5.951 2.177 -0.486 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.681 2.613 -1.754 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.555 1.680 -0.849 1.00 0.00 C ATOM 181 CD1 ILE A 24 5.862 3.684 -2.469 1.00 0.00 C ATOM 0 H ILE A 24 7.892 3.068 0.685 1.00 0.00 H new ATOM 0 HA ILE A 24 5.398 4.203 -0.068 1.00 0.00 H new ATOM 0 HB ILE A 24 6.509 1.374 -0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.668 3.002 -1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.833 1.757 -2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.636 0.834 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.033 1.368 0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.997 2.483 -1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.382 3.996 -3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.885 3.279 -2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.733 4.543 -1.811 1.00 0.00 H new ATOM 193 N VAL A 25 5.352 2.047 2.459 1.00 0.00 N ATOM 194 CA VAL A 25 4.582 1.632 3.614 1.00 0.00 C ATOM 195 C VAL A 25 4.356 2.821 4.537 1.00 0.00 C ATOM 196 O VAL A 25 3.255 3.012 5.048 1.00 0.00 O ATOM 197 CB VAL A 25 5.322 0.514 4.342 1.00 0.00 C ATOM 198 CG1 VAL A 25 4.377 -0.160 5.333 1.00 0.00 C ATOM 199 CG2 VAL A 25 5.814 -0.515 3.329 1.00 0.00 C ATOM 0 H VAL A 25 6.224 1.534 2.330 1.00 0.00 H new ATOM 0 HA VAL A 25 3.610 1.257 3.293 1.00 0.00 H new ATOM 0 HB VAL A 25 6.174 0.932 4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.905 -0.959 5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.025 0.575 6.057 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.525 -0.578 4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.343 -1.314 3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.962 -0.933 2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.489 -0.034 2.621 1.00 0.00 H new ATOM 209 N ARG A 26 5.403 3.621 4.749 1.00 0.00 N ATOM 210 CA ARG A 26 5.315 4.784 5.608 1.00 0.00 C ATOM 211 C ARG A 26 4.173 5.680 5.147 1.00 0.00 C ATOM 212 O ARG A 26 3.373 6.136 5.961 1.00 0.00 O ATOM 213 CB ARG A 26 6.640 5.540 5.577 1.00 0.00 C ATOM 214 CG ARG A 26 7.369 5.342 6.903 1.00 0.00 C ATOM 215 CD ARG A 26 7.785 3.880 7.042 1.00 0.00 C ATOM 216 NE ARG A 26 8.265 3.597 8.395 1.00 0.00 N ATOM 217 CZ ARG A 26 9.459 4.010 8.843 1.00 0.00 C ATOM 218 NH1 ARG A 26 10.268 4.716 8.041 1.00 0.00 N ATOM 219 NH2 ARG A 26 9.843 3.718 10.093 1.00 0.00 N ATOM 0 H ARG A 26 6.322 3.476 4.331 1.00 0.00 H new ATOM 0 HA ARG A 26 5.115 4.470 6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.257 5.181 4.753 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.462 6.601 5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.247 5.987 6.947 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.722 5.627 7.732 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.938 3.234 6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.568 3.651 6.319 1.00 0.00 H new ATOM 0 HE ARG A 26 7.666 3.063 9.024 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.975 4.939 7.090 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.177 5.030 8.382 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.227 3.181 10.704 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.752 4.032 10.434 1.00 0.00 H new ATOM 233 N VAL A 27 4.100 5.930 3.838 1.00 0.00 N ATOM 234 CA VAL A 27 3.059 6.767 3.276 1.00 0.00 C ATOM 235 C VAL A 27 1.693 6.197 3.631 1.00 0.00 C ATOM 236 O VAL A 27 0.917 6.834 4.340 1.00 0.00 O ATOM 237 CB VAL A 27 3.235 6.850 1.763 1.00 0.00 C ATOM 238 CG1 VAL A 27 1.889 7.149 1.110 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.223 7.963 1.426 1.00 0.00 C ATOM 0 H VAL A 27 4.757 5.559 3.151 1.00 0.00 H new ATOM 0 HA VAL A 27 3.130 7.772 3.691 1.00 0.00 H new ATOM 0 HB VAL A 27 3.617 5.900 1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.014 7.208 0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.183 6.354 1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.506 8.099 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.349 8.023 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.842 8.913 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.185 7.749 1.892 1.00 0.00 H new ATOM 249 N MET A 28 1.399 4.993 3.135 1.00 0.00 N ATOM 250 CA MET A 28 0.129 4.348 3.402 1.00 0.00 C ATOM 251 C MET A 28 -0.252 4.537 4.863 1.00 0.00 C ATOM 252 O MET A 28 -1.420 4.749 5.181 1.00 0.00 O ATOM 253 CB MET A 28 0.231 2.864 3.059 1.00 0.00 C ATOM 254 CG MET A 28 0.785 2.706 1.646 1.00 0.00 C ATOM 255 SD MET A 28 0.135 1.269 0.758 1.00 0.00 S ATOM 256 CE MET A 28 0.872 -0.048 1.758 1.00 0.00 C ATOM 0 H MET A 28 2.031 4.451 2.546 1.00 0.00 H new ATOM 0 HA MET A 28 -0.647 4.799 2.784 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.880 2.358 3.774 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.750 2.395 3.131 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.558 3.606 1.075 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.871 2.627 1.699 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.445 -0.716 1.115 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.532 0.390 2.507 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.083 -0.612 2.255 1.00 0.00 H new ATOM 266 N GLN A 29 0.740 4.462 5.754 1.00 0.00 N ATOM 267 CA GLN A 29 0.504 4.624 7.174 1.00 0.00 C ATOM 268 C GLN A 29 0.004 6.034 7.457 1.00 0.00 C ATOM 269 O GLN A 29 -0.971 6.214 8.184 1.00 0.00 O ATOM 270 CB GLN A 29 1.797 4.346 7.937 1.00 0.00 C ATOM 271 CG GLN A 29 1.797 2.902 8.429 1.00 0.00 C ATOM 272 CD GLN A 29 3.136 2.543 9.057 1.00 0.00 C ATOM 273 OE1 GLN A 29 3.715 1.506 8.741 1.00 0.00 O ATOM 274 NE2 GLN A 29 3.628 3.405 9.951 1.00 0.00 N ATOM 0 H GLN A 29 1.714 4.289 5.507 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.258 3.917 7.503 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.658 4.521 7.291 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.887 5.029 8.782 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.999 2.762 9.159 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.589 2.230 7.597 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.110 4.253 10.180 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.522 3.215 10.404 1.00 0.00 H new ATOM 283 N LEU A 30 0.673 7.034 6.880 1.00 0.00 N ATOM 284 CA LEU A 30 0.294 8.419 7.071 1.00 0.00 C ATOM 285 C LEU A 30 -1.223 8.540 7.102 1.00 0.00 C ATOM 286 O LEU A 30 -1.915 7.901 6.313 1.00 0.00 O ATOM 287 CB LEU A 30 0.881 9.267 5.946 1.00 0.00 C ATOM 288 CG LEU A 30 2.403 9.272 6.054 1.00 0.00 C ATOM 289 CD1 LEU A 30 3.005 9.780 4.747 1.00 0.00 C ATOM 290 CD2 LEU A 30 2.828 10.187 7.200 1.00 0.00 C ATOM 0 H LEU A 30 1.483 6.900 6.275 1.00 0.00 H new ATOM 0 HA LEU A 30 0.687 8.779 8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.576 8.868 4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.498 10.286 6.006 1.00 0.00 H new ATOM 0 HG LEU A 30 2.757 8.259 6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.092 9.784 4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.702 9.127 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.652 10.793 4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.915 10.191 7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.474 11.200 7.007 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.399 9.824 8.134 1.00 0.00 H new ATOM 302 N PRO A 31 -1.739 9.364 8.016 1.00 0.00 N ATOM 303 CA PRO A 31 -3.155 9.606 8.191 1.00 0.00 C ATOM 304 C PRO A 31 -3.675 10.449 7.035 1.00 0.00 C ATOM 305 O PRO A 31 -4.856 10.787 6.993 1.00 0.00 O ATOM 306 CB PRO A 31 -3.264 10.363 9.513 1.00 0.00 C ATOM 307 CG PRO A 31 -1.939 11.122 9.577 1.00 0.00 C ATOM 308 CD PRO A 31 -0.955 10.132 8.960 1.00 0.00 C ATOM 0 HA PRO A 31 -3.743 8.688 8.206 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.119 11.039 9.523 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.384 9.686 10.359 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.980 12.056 9.016 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.668 11.377 10.601 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.134 10.649 8.463 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.513 9.489 9.721 1.00 0.00 H new ATOM 316 N ASP A 32 -2.789 10.789 6.096 1.00 0.00 N ATOM 317 CA ASP A 32 -3.162 11.592 4.949 1.00 0.00 C ATOM 318 C ASP A 32 -2.516 11.026 3.693 1.00 0.00 C ATOM 319 O ASP A 32 -2.014 11.777 2.859 1.00 0.00 O ATOM 320 CB ASP A 32 -2.728 13.037 5.177 1.00 0.00 C ATOM 321 CG ASP A 32 -3.448 13.638 6.376 1.00 0.00 C ATOM 322 OD1 ASP A 32 -3.150 13.185 7.502 1.00 0.00 O ATOM 323 OD2 ASP A 32 -4.283 14.538 6.143 1.00 0.00 O ATOM 0 H ASP A 32 -1.807 10.515 6.116 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.244 11.569 4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.651 13.076 5.338 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.939 13.629 4.287 1.00 0.00 H new ATOM 329 N SER A 33 -2.527 9.698 3.559 1.00 0.00 N ATOM 330 CA SER A 33 -1.944 9.041 2.407 1.00 0.00 C ATOM 331 C SER A 33 -3.045 8.577 1.463 1.00 0.00 C ATOM 332 O SER A 33 -3.041 8.922 0.284 1.00 0.00 O ATOM 333 CB SER A 33 -1.096 7.861 2.870 1.00 0.00 C ATOM 334 OG SER A 33 -1.696 7.266 3.999 1.00 0.00 O ATOM 0 H SER A 33 -2.937 9.062 4.242 1.00 0.00 H new ATOM 0 HA SER A 33 -1.305 9.742 1.870 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.002 7.130 2.067 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.088 8.197 3.115 1.00 0.00 H new ATOM 0 HG SER A 33 -1.399 7.729 4.810 1.00 0.00 H new ATOM 340 N GLY A 34 -3.991 7.794 1.986 1.00 0.00 N ATOM 341 CA GLY A 34 -5.090 7.291 1.186 1.00 0.00 C ATOM 342 C GLY A 34 -5.579 5.960 1.740 1.00 0.00 C ATOM 343 O GLY A 34 -6.783 5.733 1.845 1.00 0.00 O ATOM 0 H GLY A 34 -4.011 7.499 2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.906 8.013 1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.769 7.167 0.152 1.00 0.00 H new ATOM 347 N LEU A 35 -4.641 5.079 2.095 1.00 0.00 N ATOM 348 CA LEU A 35 -4.979 3.777 2.635 1.00 0.00 C ATOM 349 C LEU A 35 -5.274 3.896 4.124 1.00 0.00 C ATOM 350 O LEU A 35 -6.271 3.364 4.606 1.00 0.00 O ATOM 351 CB LEU A 35 -3.826 2.809 2.388 1.00 0.00 C ATOM 352 CG LEU A 35 -4.130 1.474 3.061 1.00 0.00 C ATOM 353 CD1 LEU A 35 -5.595 1.111 2.836 1.00 0.00 C ATOM 354 CD2 LEU A 35 -3.239 0.388 2.463 1.00 0.00 C ATOM 0 H LEU A 35 -3.639 5.253 2.014 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.870 3.394 2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.682 2.664 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.898 3.224 2.782 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.937 1.555 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.812 0.157 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.232 1.886 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.790 1.030 1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.456 -0.566 2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.432 0.308 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.192 0.646 2.625 1.00 0.00 H new ATOM 366 N GLU A 36 -4.402 4.597 4.852 1.00 0.00 N ATOM 367 CA GLU A 36 -4.575 4.781 6.279 1.00 0.00 C ATOM 368 C GLU A 36 -4.598 3.429 6.978 1.00 0.00 C ATOM 369 O GLU A 36 -5.550 2.666 6.829 1.00 0.00 O ATOM 370 CB GLU A 36 -5.870 5.546 6.538 1.00 0.00 C ATOM 371 CG GLU A 36 -5.541 6.978 6.950 1.00 0.00 C ATOM 372 CD GLU A 36 -6.291 7.978 6.083 1.00 0.00 C ATOM 373 OE1 GLU A 36 -5.881 8.134 4.912 1.00 0.00 O ATOM 374 OE2 GLU A 36 -7.260 8.569 6.606 1.00 0.00 O ATOM 0 H GLU A 36 -3.570 5.044 4.468 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.740 5.357 6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.490 5.547 5.641 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.445 5.054 7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.804 7.129 7.997 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.468 7.148 6.863 1.00 0.00 H new ATOM 382 N ILE A 37 -3.545 3.134 7.745 1.00 0.00 N ATOM 383 CA ILE A 37 -3.448 1.880 8.465 1.00 0.00 C ATOM 384 C ILE A 37 -3.685 2.120 9.949 1.00 0.00 C ATOM 385 O ILE A 37 -2.809 2.630 10.644 1.00 0.00 O ATOM 386 CB ILE A 37 -2.073 1.263 8.227 1.00 0.00 C ATOM 387 CG1 ILE A 37 -1.585 1.629 6.829 1.00 0.00 C ATOM 388 CG2 ILE A 37 -2.169 -0.255 8.352 1.00 0.00 C ATOM 389 CD1 ILE A 37 -2.253 0.718 5.803 1.00 0.00 C ATOM 0 H ILE A 37 -2.748 3.756 7.878 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.208 1.187 8.104 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.370 1.645 8.967 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.818 2.671 6.612 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.501 1.526 6.772 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.187 -0.697 8.182 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.517 -0.517 9.351 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.872 -0.637 7.612 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.905 0.979 4.804 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.997 -0.320 6.017 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.335 0.843 5.855 1.00 0.00 H new ATOM 401 N ARG A 38 -4.872 1.749 10.434 1.00 0.00 N ATOM 402 CA ARG A 38 -5.217 1.925 11.830 1.00 0.00 C ATOM 403 C ARG A 38 -6.610 1.370 12.091 1.00 0.00 C ATOM 404 O ARG A 38 -6.863 0.797 13.149 1.00 0.00 O ATOM 405 CB ARG A 38 -5.151 3.408 12.186 1.00 0.00 C ATOM 406 CG ARG A 38 -3.878 3.684 12.980 1.00 0.00 C ATOM 407 CD ARG A 38 -3.128 4.855 12.348 1.00 0.00 C ATOM 408 NE ARG A 38 -2.080 5.350 13.241 1.00 0.00 N ATOM 409 CZ ARG A 38 -1.335 6.427 12.957 1.00 0.00 C ATOM 410 NH1 ARG A 38 -1.536 7.099 11.816 1.00 0.00 N ATOM 411 NH2 ARG A 38 -0.388 6.831 13.815 1.00 0.00 N ATOM 0 H ARG A 38 -5.608 1.324 9.870 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.508 1.382 12.455 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.165 4.012 11.279 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.026 3.692 12.771 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.126 3.914 14.016 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.245 2.797 12.993 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.686 4.541 11.402 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.827 5.660 12.121 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.909 4.855 14.116 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.256 6.791 11.163 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.969 7.919 11.600 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.235 6.319 14.684 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.179 7.651 13.599 1.00 0.00 H new ATOM 425 N ASP A 39 -7.514 1.540 11.124 1.00 0.00 N ATOM 426 CA ASP A 39 -8.873 1.057 11.255 1.00 0.00 C ATOM 427 C ASP A 39 -9.360 0.520 9.916 1.00 0.00 C ATOM 428 O ASP A 39 -9.218 1.183 8.891 1.00 0.00 O ATOM 429 CB ASP A 39 -9.771 2.191 11.741 1.00 0.00 C ATOM 430 CG ASP A 39 -9.008 3.131 12.664 1.00 0.00 C ATOM 431 OD1 ASP A 39 -8.912 4.324 12.305 1.00 0.00 O ATOM 432 OD2 ASP A 39 -8.534 2.638 13.710 1.00 0.00 O ATOM 0 H ASP A 39 -7.319 2.012 10.241 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.907 0.247 11.984 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.156 2.747 10.886 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.632 1.778 12.267 1.00 0.00 H new ATOM 438 N ARG A 40 -9.935 -0.685 9.927 1.00 0.00 N ATOM 439 CA ARG A 40 -10.437 -1.303 8.717 1.00 0.00 C ATOM 440 C ARG A 40 -11.629 -2.190 9.048 1.00 0.00 C ATOM 441 O ARG A 40 -12.000 -2.327 10.211 1.00 0.00 O ATOM 442 CB ARG A 40 -9.324 -2.117 8.063 1.00 0.00 C ATOM 443 CG ARG A 40 -8.347 -1.173 7.366 1.00 0.00 C ATOM 444 CD ARG A 40 -8.972 -0.659 6.072 1.00 0.00 C ATOM 445 NE ARG A 40 -8.990 0.803 6.042 1.00 0.00 N ATOM 446 CZ ARG A 40 -9.676 1.502 5.127 1.00 0.00 C ATOM 447 NH1 ARG A 40 -10.386 0.862 4.188 1.00 0.00 N ATOM 448 NH2 ARG A 40 -9.652 2.842 5.151 1.00 0.00 N ATOM 0 H ARG A 40 -10.061 -1.247 10.769 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.764 -0.532 8.019 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.801 -2.709 8.815 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.746 -2.818 7.343 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.102 -0.337 8.021 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.414 -1.693 7.150 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.410 -1.037 5.218 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.989 -1.041 5.979 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.458 1.312 6.747 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.405 -0.158 4.169 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.908 1.394 3.492 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.112 3.330 5.866 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.174 3.374 4.455 1.00 0.00 H new ATOM 462 N MET A 41 -12.230 -2.794 8.020 1.00 0.00 N ATOM 463 CA MET A 41 -13.376 -3.662 8.209 1.00 0.00 C ATOM 464 C MET A 41 -13.112 -5.016 7.566 1.00 0.00 C ATOM 465 O MET A 41 -12.428 -5.100 6.549 1.00 0.00 O ATOM 466 CB MET A 41 -14.613 -3.007 7.602 1.00 0.00 C ATOM 467 CG MET A 41 -15.098 -1.887 8.518 1.00 0.00 C ATOM 468 SD MET A 41 -16.886 -1.609 8.456 1.00 0.00 S ATOM 469 CE MET A 41 -17.442 -3.118 9.288 1.00 0.00 C ATOM 0 H MET A 41 -11.935 -2.692 7.049 1.00 0.00 H new ATOM 0 HA MET A 41 -13.547 -3.817 9.274 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.379 -2.608 6.615 1.00 0.00 H new ATOM 0 HB3 MET A 41 -15.401 -3.748 7.468 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.812 -2.121 9.544 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.587 -0.963 8.247 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.512 -3.249 9.127 1.00 0.00 H new ATOM 0 HE2 MET A 41 -16.906 -3.976 8.882 1.00 0.00 H new ATOM 0 HE3 MET A 41 -17.243 -3.039 10.357 1.00 0.00 H new ATOM 479 N TRP A 42 -13.658 -6.078 8.163 1.00 0.00 N ATOM 480 CA TRP A 42 -13.479 -7.419 7.642 1.00 0.00 C ATOM 481 C TRP A 42 -14.507 -8.356 8.260 1.00 0.00 C ATOM 482 O TRP A 42 -14.745 -8.313 9.464 1.00 0.00 O ATOM 483 CB TRP A 42 -12.062 -7.896 7.945 1.00 0.00 C ATOM 484 CG TRP A 42 -11.743 -9.272 7.456 1.00 0.00 C ATOM 485 CD1 TRP A 42 -11.280 -10.284 8.221 1.00 0.00 C ATOM 486 CD2 TRP A 42 -11.853 -9.813 6.104 1.00 0.00 C ATOM 487 NE1 TRP A 42 -11.096 -11.406 7.441 1.00 0.00 N ATOM 488 CE2 TRP A 42 -11.435 -11.171 6.124 1.00 0.00 C ATOM 489 CE3 TRP A 42 -12.262 -9.295 4.862 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -11.423 -11.971 4.979 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -12.254 -10.089 3.707 1.00 0.00 C ATOM 492 CH2 TRP A 42 -11.836 -11.424 3.761 1.00 0.00 C ATOM 0 H TRP A 42 -14.227 -6.027 9.008 1.00 0.00 H new ATOM 0 HA TRP A 42 -13.625 -7.415 6.562 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.355 -7.195 7.500 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -11.906 -7.864 9.023 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -11.084 -10.224 9.281 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.752 -12.299 7.794 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.588 -8.267 4.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.099 -13.000 5.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.574 -9.667 2.766 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -11.833 -12.028 2.866 1.00 0.00 H new ATOM 503 N LEU A 43 -15.117 -9.205 7.429 1.00 0.00 N ATOM 504 CA LEU A 43 -16.115 -10.148 7.895 1.00 0.00 C ATOM 505 C LEU A 43 -17.377 -9.403 8.306 1.00 0.00 C ATOM 506 O LEU A 43 -18.273 -9.984 8.913 1.00 0.00 O ATOM 507 CB LEU A 43 -15.551 -10.944 9.069 1.00 0.00 C ATOM 508 CG LEU A 43 -15.038 -12.291 8.569 1.00 0.00 C ATOM 509 CD1 LEU A 43 -13.513 -12.312 8.638 1.00 0.00 C ATOM 510 CD2 LEU A 43 -15.602 -13.407 9.443 1.00 0.00 C ATOM 0 H LEU A 43 -14.930 -9.252 6.427 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.371 -10.840 7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.743 -10.388 9.544 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -16.322 -11.094 9.825 1.00 0.00 H new ATOM 0 HG LEU A 43 -15.357 -12.441 7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.146 -13.274 8.281 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.110 -11.515 8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.193 -12.162 9.669 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.236 -14.369 9.086 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.283 -13.258 10.475 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.691 -13.393 9.394 1.00 0.00 H new ATOM 522 N LYS A 44 -17.446 -8.112 7.972 1.00 0.00 N ATOM 523 CA LYS A 44 -18.596 -7.297 8.308 1.00 0.00 C ATOM 524 C LYS A 44 -18.438 -6.729 9.711 1.00 0.00 C ATOM 525 O LYS A 44 -19.414 -6.305 10.325 1.00 0.00 O ATOM 526 CB LYS A 44 -19.863 -8.142 8.207 1.00 0.00 C ATOM 527 CG LYS A 44 -21.066 -7.229 7.987 1.00 0.00 C ATOM 528 CD LYS A 44 -21.955 -7.813 6.891 1.00 0.00 C ATOM 529 CE LYS A 44 -23.287 -8.247 7.495 1.00 0.00 C ATOM 530 NZ LYS A 44 -23.961 -9.230 6.633 1.00 0.00 N ATOM 0 H LYS A 44 -16.712 -7.615 7.467 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.671 -6.464 7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -19.776 -8.851 7.384 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -19.997 -8.726 9.118 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -21.632 -7.126 8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.732 -6.231 7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -22.122 -7.072 6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -21.461 -8.664 6.422 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -23.120 -8.678 8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -23.929 -7.377 7.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -24.865 -9.509 7.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -24.140 -8.808 5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -23.356 -10.069 6.524 1.00 0.00 H new ATOM 544 N ILE A 45 -17.202 -6.723 10.217 1.00 0.00 N ATOM 545 CA ILE A 45 -16.919 -6.207 11.542 1.00 0.00 C ATOM 546 C ILE A 45 -15.963 -5.027 11.441 1.00 0.00 C ATOM 547 O ILE A 45 -15.558 -4.646 10.346 1.00 0.00 O ATOM 548 CB ILE A 45 -16.321 -7.317 12.402 1.00 0.00 C ATOM 549 CG1 ILE A 45 -16.870 -8.666 11.946 1.00 0.00 C ATOM 550 CG2 ILE A 45 -16.693 -7.084 13.863 1.00 0.00 C ATOM 551 CD1 ILE A 45 -16.273 -9.775 12.808 1.00 0.00 C ATOM 0 H ILE A 45 -16.383 -7.073 9.720 1.00 0.00 H new ATOM 0 HA ILE A 45 -17.842 -5.862 12.008 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.236 -7.313 12.298 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -17.957 -8.674 12.026 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -16.626 -8.834 10.897 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -16.266 -7.876 14.478 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.301 -6.121 14.189 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -17.778 -7.088 13.967 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -16.665 -10.739 12.483 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -15.188 -9.771 12.706 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -16.540 -9.608 13.852 1.00 0.00 H new ATOM 563 N THR A 46 -15.604 -4.447 12.589 1.00 0.00 N ATOM 564 CA THR A 46 -14.698 -3.316 12.619 1.00 0.00 C ATOM 565 C THR A 46 -13.455 -3.669 13.423 1.00 0.00 C ATOM 566 O THR A 46 -13.543 -4.346 14.445 1.00 0.00 O ATOM 567 CB THR A 46 -15.411 -2.112 13.228 1.00 0.00 C ATOM 568 OG1 THR A 46 -16.326 -1.586 12.292 1.00 0.00 O ATOM 569 CG2 THR A 46 -14.385 -1.043 13.591 1.00 0.00 C ATOM 0 H THR A 46 -15.932 -4.749 13.506 1.00 0.00 H new ATOM 0 HA THR A 46 -14.390 -3.066 11.604 1.00 0.00 H new ATOM 0 HB THR A 46 -15.946 -2.422 14.126 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.786 -0.814 12.683 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.894 -0.183 14.026 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.677 -1.449 14.313 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.850 -0.732 12.693 1.00 0.00 H new ATOM 577 N ILE A 47 -12.292 -3.206 12.957 1.00 0.00 N ATOM 578 CA ILE A 47 -11.037 -3.470 13.632 1.00 0.00 C ATOM 579 C ILE A 47 -10.244 -2.178 13.769 1.00 0.00 C ATOM 580 O ILE A 47 -10.400 -1.263 12.963 1.00 0.00 O ATOM 581 CB ILE A 47 -10.246 -4.510 12.843 1.00 0.00 C ATOM 582 CG1 ILE A 47 -11.142 -5.705 12.534 1.00 0.00 C ATOM 583 CG2 ILE A 47 -9.048 -4.971 13.669 1.00 0.00 C ATOM 584 CD1 ILE A 47 -11.887 -5.458 11.226 1.00 0.00 C ATOM 0 H ILE A 47 -12.203 -2.645 12.110 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.231 -3.861 14.631 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.896 -4.069 11.910 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.543 -6.612 12.458 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.853 -5.860 13.346 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.482 -5.714 13.106 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.407 -4.117 13.889 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.398 -5.412 14.603 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.527 -6.312 11.005 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.498 -4.561 11.319 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.168 -5.325 10.417 1.00 0.00 H new ATOM 596 N ALA A 48 -9.392 -2.105 14.794 1.00 0.00 N ATOM 597 CA ALA A 48 -8.582 -0.927 15.032 1.00 0.00 C ATOM 598 C ALA A 48 -7.160 -1.173 14.547 1.00 0.00 C ATOM 599 O ALA A 48 -6.202 -0.914 15.272 1.00 0.00 O ATOM 600 CB ALA A 48 -8.596 -0.593 16.521 1.00 0.00 C ATOM 0 H ALA A 48 -9.251 -2.855 15.470 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.992 -0.081 14.480 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.987 0.293 16.701 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.620 -0.401 16.841 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.191 -1.433 17.086 1.00 0.00 H new ATOM 606 N ASN A 49 -7.024 -1.675 13.318 1.00 0.00 N ATOM 607 CA ASN A 49 -5.722 -1.952 12.746 1.00 0.00 C ATOM 608 C ASN A 49 -5.828 -3.090 11.741 1.00 0.00 C ATOM 609 O ASN A 49 -5.960 -4.250 12.125 1.00 0.00 O ATOM 610 CB ASN A 49 -4.743 -2.306 13.862 1.00 0.00 C ATOM 611 CG ASN A 49 -5.403 -3.202 14.900 1.00 0.00 C ATOM 612 OD1 ASN A 49 -6.284 -3.993 14.569 1.00 0.00 O ATOM 613 ND2 ASN A 49 -4.974 -3.080 16.158 1.00 0.00 N ATOM 0 H ASN A 49 -7.808 -1.896 12.704 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.356 -1.068 12.224 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.873 -2.810 13.441 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.384 -1.394 14.339 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.380 -3.658 16.894 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.240 -2.409 16.384 1.00 0.00 H new ATOM 620 N ALA A 50 -5.768 -2.755 10.450 1.00 0.00 N ATOM 621 CA ALA A 50 -5.858 -3.747 9.398 1.00 0.00 C ATOM 622 C ALA A 50 -5.518 -3.110 8.058 1.00 0.00 C ATOM 623 O ALA A 50 -5.561 -1.889 7.921 1.00 0.00 O ATOM 624 CB ALA A 50 -7.265 -4.337 9.375 1.00 0.00 C ATOM 0 H ALA A 50 -5.657 -1.798 10.116 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.145 -4.549 9.588 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.334 -5.083 8.584 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.479 -4.806 10.336 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.989 -3.544 9.189 1.00 0.00 H new ATOM 630 N VAL A 51 -5.180 -3.940 7.069 1.00 0.00 N ATOM 631 CA VAL A 51 -4.834 -3.455 5.748 1.00 0.00 C ATOM 632 C VAL A 51 -4.345 -4.611 4.887 1.00 0.00 C ATOM 633 O VAL A 51 -4.918 -4.891 3.837 1.00 0.00 O ATOM 634 CB VAL A 51 -3.761 -2.376 5.867 1.00 0.00 C ATOM 635 CG1 VAL A 51 -4.419 -1.000 5.848 1.00 0.00 C ATOM 636 CG2 VAL A 51 -3.001 -2.559 7.177 1.00 0.00 C ATOM 0 H VAL A 51 -5.141 -4.955 7.167 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.714 -3.021 5.273 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.068 -2.458 5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.653 -0.229 5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.963 -0.870 4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.112 -0.917 6.685 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.234 -1.789 7.263 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.694 -2.477 8.014 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.531 -3.542 7.191 1.00 0.00 H new ATOM 646 N ILE A 52 -3.281 -5.282 5.335 1.00 0.00 N ATOM 647 CA ILE A 52 -2.720 -6.403 4.608 1.00 0.00 C ATOM 648 C ILE A 52 -2.414 -5.987 3.176 1.00 0.00 C ATOM 649 O ILE A 52 -2.768 -4.887 2.759 1.00 0.00 O ATOM 650 CB ILE A 52 -3.704 -7.569 4.635 1.00 0.00 C ATOM 651 CG1 ILE A 52 -2.934 -8.884 4.708 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.554 -7.547 3.367 1.00 0.00 C ATOM 653 CD1 ILE A 52 -3.834 -9.970 5.291 1.00 0.00 C ATOM 0 H ILE A 52 -2.795 -5.060 6.204 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.790 -6.720 5.080 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.350 -7.478 5.508 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.594 -9.174 3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.045 -8.763 5.327 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.257 -8.380 3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.105 -6.608 3.315 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.908 -7.638 2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.284 -10.909 5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.152 -9.680 6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.710 -10.097 4.655 1.00 0.00 H new ATOM 665 N GLY A 53 -1.755 -6.870 2.422 1.00 0.00 N ATOM 666 CA GLY A 53 -1.408 -6.585 1.045 1.00 0.00 C ATOM 667 C GLY A 53 -2.655 -6.223 0.250 1.00 0.00 C ATOM 668 O GLY A 53 -2.591 -5.426 -0.682 1.00 0.00 O ATOM 0 H GLY A 53 -1.454 -7.788 2.751 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.692 -5.764 1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.923 -7.453 0.598 1.00 0.00 H new ATOM 672 N ALA A 54 -3.793 -6.814 0.623 1.00 0.00 N ATOM 673 CA ALA A 54 -5.047 -6.554 -0.054 1.00 0.00 C ATOM 674 C ALA A 54 -5.266 -5.052 -0.175 1.00 0.00 C ATOM 675 O ALA A 54 -5.309 -4.516 -1.281 1.00 0.00 O ATOM 676 CB ALA A 54 -6.188 -7.205 0.721 1.00 0.00 C ATOM 0 H ALA A 54 -3.862 -7.477 1.395 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.018 -6.980 -1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.132 -7.010 0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.022 -8.281 0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.227 -6.791 1.728 1.00 0.00 H new ATOM 682 N ASP A 55 -5.404 -4.373 0.966 1.00 0.00 N ATOM 683 CA ASP A 55 -5.618 -2.940 0.981 1.00 0.00 C ATOM 684 C ASP A 55 -4.393 -2.231 0.421 1.00 0.00 C ATOM 685 O ASP A 55 -4.517 -1.363 -0.441 1.00 0.00 O ATOM 686 CB ASP A 55 -5.900 -2.484 2.410 1.00 0.00 C ATOM 687 CG ASP A 55 -6.973 -1.405 2.434 1.00 0.00 C ATOM 688 OD1 ASP A 55 -7.051 -0.660 1.434 1.00 0.00 O ATOM 689 OD2 ASP A 55 -7.695 -1.345 3.453 1.00 0.00 O ATOM 0 H ASP A 55 -5.370 -4.802 1.891 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.476 -2.689 0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.221 -3.335 3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.984 -2.102 2.862 1.00 0.00 H new ATOM 695 N VAL A 56 -3.209 -2.601 0.913 1.00 0.00 N ATOM 696 CA VAL A 56 -1.971 -2.000 0.460 1.00 0.00 C ATOM 697 C VAL A 56 -1.952 -1.943 -1.061 1.00 0.00 C ATOM 698 O VAL A 56 -1.405 -1.008 -1.642 1.00 0.00 O ATOM 699 CB VAL A 56 -0.790 -2.812 0.985 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.515 -2.137 0.574 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.865 -2.890 2.507 1.00 0.00 C ATOM 0 H VAL A 56 -3.090 -3.318 1.628 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.895 -0.982 0.843 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.825 -3.818 0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.358 -2.717 0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.568 -2.080 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.552 -1.131 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.022 -3.470 2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.829 -1.884 2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.797 -3.372 2.801 1.00 0.00 H new ATOM 711 N VAL A 57 -2.553 -2.946 -1.705 1.00 0.00 N ATOM 712 CA VAL A 57 -2.603 -3.005 -3.152 1.00 0.00 C ATOM 713 C VAL A 57 -3.612 -1.992 -3.674 1.00 0.00 C ATOM 714 O VAL A 57 -3.247 -1.062 -4.389 1.00 0.00 O ATOM 715 CB VAL A 57 -2.978 -4.418 -3.590 1.00 0.00 C ATOM 716 CG1 VAL A 57 -3.272 -4.425 -5.087 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.820 -5.366 -3.294 1.00 0.00 C ATOM 0 H VAL A 57 -3.011 -3.728 -1.237 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.625 -2.759 -3.565 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.863 -4.745 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.540 -5.434 -5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.099 -3.748 -5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.387 -4.098 -5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.087 -6.375 -3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.934 -5.040 -3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.610 -5.361 -2.224 1.00 0.00 H new ATOM 727 N ASP A 58 -4.885 -2.174 -3.313 1.00 0.00 N ATOM 728 CA ASP A 58 -5.937 -1.278 -3.747 1.00 0.00 C ATOM 729 C ASP A 58 -5.442 0.160 -3.697 1.00 0.00 C ATOM 730 O ASP A 58 -5.897 1.002 -4.467 1.00 0.00 O ATOM 731 CB ASP A 58 -7.160 -1.460 -2.852 1.00 0.00 C ATOM 732 CG ASP A 58 -8.079 -2.543 -3.401 1.00 0.00 C ATOM 733 OD1 ASP A 58 -7.686 -3.160 -4.415 1.00 0.00 O ATOM 734 OD2 ASP A 58 -9.156 -2.733 -2.796 1.00 0.00 O ATOM 0 H ASP A 58 -5.203 -2.939 -2.719 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.217 -1.510 -4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.842 -1.725 -1.844 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.705 -0.519 -2.778 1.00 0.00 H new ATOM 740 N TRP A 59 -4.506 0.441 -2.787 1.00 0.00 N ATOM 741 CA TRP A 59 -3.957 1.775 -2.647 1.00 0.00 C ATOM 742 C TRP A 59 -2.921 2.026 -3.733 1.00 0.00 C ATOM 743 O TRP A 59 -3.187 2.740 -4.696 1.00 0.00 O ATOM 744 CB TRP A 59 -3.336 1.925 -1.261 1.00 0.00 C ATOM 745 CG TRP A 59 -3.023 3.331 -0.861 1.00 0.00 C ATOM 746 CD1 TRP A 59 -3.922 4.233 -0.409 1.00 0.00 C ATOM 747 CD2 TRP A 59 -1.736 4.021 -0.866 1.00 0.00 C ATOM 748 NE1 TRP A 59 -3.284 5.425 -0.136 1.00 0.00 N ATOM 749 CE2 TRP A 59 -1.932 5.349 -0.401 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.423 3.660 -1.216 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -0.886 6.269 -0.290 1.00 0.00 C ATOM 752 CZ3 TRP A 59 0.635 4.574 -1.108 1.00 0.00 C ATOM 753 CH2 TRP A 59 0.408 5.877 -0.647 1.00 0.00 C ATOM 0 H TRP A 59 -4.118 -0.245 -2.139 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.752 2.512 -2.757 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.017 1.496 -0.525 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.417 1.339 -1.225 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.978 4.049 -0.281 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.753 6.259 0.218 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.226 2.661 -1.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.075 7.271 0.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.634 4.270 -1.383 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.228 6.575 -0.568 1.00 0.00 H new ATOM 764 N LEU A 60 -1.734 1.434 -3.574 1.00 0.00 N ATOM 765 CA LEU A 60 -0.665 1.595 -4.539 1.00 0.00 C ATOM 766 C LEU A 60 -1.249 1.797 -5.930 1.00 0.00 C ATOM 767 O LEU A 60 -0.827 2.691 -6.660 1.00 0.00 O ATOM 768 CB LEU A 60 0.239 0.365 -4.506 1.00 0.00 C ATOM 769 CG LEU A 60 1.060 0.372 -3.219 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.716 -0.992 -3.027 1.00 0.00 C ATOM 771 CD2 LEU A 60 2.138 1.448 -3.310 1.00 0.00 C ATOM 0 H LEU A 60 -1.498 0.839 -2.780 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.072 2.474 -4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.362 -0.543 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.901 0.363 -5.372 1.00 0.00 H new ATOM 0 HG LEU A 60 0.407 0.583 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.302 -0.988 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.946 -1.760 -2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.369 -1.204 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.725 1.454 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.791 1.238 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.669 2.422 -3.447 1.00 0.00 H new ATOM 783 N TYR A 61 -2.225 0.962 -6.296 1.00 0.00 N ATOM 784 CA TYR A 61 -2.859 1.053 -7.596 1.00 0.00 C ATOM 785 C TYR A 61 -3.638 2.356 -7.700 1.00 0.00 C ATOM 786 O TYR A 61 -3.418 3.143 -8.618 1.00 0.00 O ATOM 787 CB TYR A 61 -3.781 -0.146 -7.795 1.00 0.00 C ATOM 788 CG TYR A 61 -4.354 -0.241 -9.189 1.00 0.00 C ATOM 789 CD1 TYR A 61 -5.526 0.454 -9.513 1.00 0.00 C ATOM 790 CD2 TYR A 61 -3.714 -1.023 -10.158 1.00 0.00 C ATOM 791 CE1 TYR A 61 -6.057 0.366 -10.805 1.00 0.00 C ATOM 792 CE2 TYR A 61 -4.246 -1.111 -11.450 1.00 0.00 C ATOM 793 CZ TYR A 61 -5.417 -0.416 -11.773 1.00 0.00 C ATOM 794 OH TYR A 61 -5.935 -0.502 -13.032 1.00 0.00 O ATOM 0 H TYR A 61 -2.588 0.216 -5.702 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.099 1.045 -8.378 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.229 -1.059 -7.575 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.600 -0.088 -7.078 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.020 1.058 -8.766 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.810 -1.558 -9.909 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.961 0.902 -11.055 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.753 -1.715 -12.197 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.368 -1.084 -13.580 1.00 0.00 H new ATOM 804 N THR A 62 -4.553 2.584 -6.754 1.00 0.00 N ATOM 805 CA THR A 62 -5.356 3.790 -6.748 1.00 0.00 C ATOM 806 C THR A 62 -4.590 4.920 -6.075 1.00 0.00 C ATOM 807 O THR A 62 -5.186 5.898 -5.627 1.00 0.00 O ATOM 808 CB THR A 62 -6.671 3.521 -6.020 1.00 0.00 C ATOM 809 OG1 THR A 62 -7.321 2.421 -6.617 1.00 0.00 O ATOM 810 CG2 THR A 62 -7.566 4.753 -6.114 1.00 0.00 C ATOM 0 H THR A 62 -4.750 1.943 -5.985 1.00 0.00 H new ATOM 0 HA THR A 62 -5.576 4.088 -7.773 1.00 0.00 H new ATOM 0 HB THR A 62 -6.468 3.299 -4.972 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.085 1.601 -6.135 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.505 4.561 -5.594 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.064 5.604 -5.654 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.770 4.976 -7.161 1.00 0.00 H new ATOM 818 N HIS A 63 -3.263 4.786 -6.005 1.00 0.00 N ATOM 819 CA HIS A 63 -2.427 5.794 -5.386 1.00 0.00 C ATOM 820 C HIS A 63 -1.515 6.424 -6.429 1.00 0.00 C ATOM 821 O HIS A 63 -1.758 7.543 -6.875 1.00 0.00 O ATOM 822 CB HIS A 63 -1.609 5.158 -4.266 1.00 0.00 C ATOM 823 CG HIS A 63 -0.337 5.908 -3.978 1.00 0.00 C ATOM 824 ND1 HIS A 63 0.929 5.371 -3.930 1.00 0.00 N ATOM 825 CD2 HIS A 63 -0.232 7.247 -3.716 1.00 0.00 C ATOM 826 CE1 HIS A 63 1.778 6.374 -3.644 1.00 0.00 C ATOM 827 NE2 HIS A 63 1.119 7.537 -3.504 1.00 0.00 N ATOM 0 H HIS A 63 -2.752 3.984 -6.373 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.053 6.578 -4.961 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.213 5.115 -3.360 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.367 4.130 -4.537 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -1.048 7.954 -3.680 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.847 6.260 -3.541 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.523 8.448 -3.287 1.00 0.00 H new ATOM 835 N VAL A 64 -0.461 5.701 -6.817 1.00 0.00 N ATOM 836 CA VAL A 64 0.481 6.191 -7.803 1.00 0.00 C ATOM 837 C VAL A 64 0.576 5.204 -8.958 1.00 0.00 C ATOM 838 O VAL A 64 -0.164 4.223 -9.001 1.00 0.00 O ATOM 839 CB VAL A 64 1.845 6.389 -7.148 1.00 0.00 C ATOM 840 CG1 VAL A 64 1.765 7.534 -6.142 1.00 0.00 C ATOM 841 CG2 VAL A 64 2.254 5.108 -6.427 1.00 0.00 C ATOM 0 H VAL A 64 -0.246 4.771 -6.456 1.00 0.00 H new ATOM 0 HA VAL A 64 0.139 7.149 -8.195 1.00 0.00 H new ATOM 0 HB VAL A 64 2.584 6.628 -7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.739 7.676 -5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.472 8.450 -6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.026 7.295 -5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.228 5.249 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.515 4.869 -5.662 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.311 4.289 -7.144 1.00 0.00 H new ATOM 851 N GLU A 65 1.490 5.465 -9.896 1.00 0.00 N ATOM 852 CA GLU A 65 1.674 4.598 -11.042 1.00 0.00 C ATOM 853 C GLU A 65 3.141 4.211 -11.170 1.00 0.00 C ATOM 854 O GLU A 65 3.986 4.720 -10.437 1.00 0.00 O ATOM 855 CB GLU A 65 1.192 5.313 -12.301 1.00 0.00 C ATOM 856 CG GLU A 65 1.872 6.675 -12.405 1.00 0.00 C ATOM 857 CD GLU A 65 2.226 6.997 -13.850 1.00 0.00 C ATOM 858 OE1 GLU A 65 1.340 7.542 -14.543 1.00 0.00 O ATOM 859 OE2 GLU A 65 3.375 6.692 -14.235 1.00 0.00 O ATOM 0 H GLU A 65 2.111 6.274 -9.876 1.00 0.00 H new ATOM 0 HA GLU A 65 1.090 3.687 -10.910 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.419 4.713 -13.182 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.109 5.437 -12.270 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.212 7.446 -12.008 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.775 6.682 -11.795 1.00 0.00 H new ATOM 867 N GLY A 66 3.442 3.307 -12.105 1.00 0.00 N ATOM 868 CA GLY A 66 4.804 2.861 -12.321 1.00 0.00 C ATOM 869 C GLY A 66 4.841 1.350 -12.504 1.00 0.00 C ATOM 870 O GLY A 66 5.868 0.793 -12.887 1.00 0.00 O ATOM 0 H GLY A 66 2.754 2.874 -12.721 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.219 3.351 -13.201 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.427 3.147 -11.473 1.00 0.00 H new ATOM 874 N PHE A 67 3.715 0.686 -12.230 1.00 0.00 N ATOM 875 CA PHE A 67 3.626 -0.754 -12.366 1.00 0.00 C ATOM 876 C PHE A 67 3.070 -1.109 -13.738 1.00 0.00 C ATOM 877 O PHE A 67 2.433 -0.281 -14.386 1.00 0.00 O ATOM 878 CB PHE A 67 2.737 -1.314 -11.260 1.00 0.00 C ATOM 879 CG PHE A 67 3.162 -0.893 -9.874 1.00 0.00 C ATOM 880 CD1 PHE A 67 4.481 -1.100 -9.453 1.00 0.00 C ATOM 881 CD2 PHE A 67 2.237 -0.298 -9.008 1.00 0.00 C ATOM 882 CE1 PHE A 67 4.875 -0.711 -8.167 1.00 0.00 C ATOM 883 CE2 PHE A 67 2.631 0.090 -7.722 1.00 0.00 C ATOM 884 CZ PHE A 67 3.950 -0.116 -7.301 1.00 0.00 C ATOM 0 H PHE A 67 2.855 1.132 -11.912 1.00 0.00 H new ATOM 0 HA PHE A 67 4.619 -1.195 -12.274 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.710 -0.990 -11.431 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.741 -2.402 -11.318 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.195 -1.560 -10.120 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.219 -0.138 -9.332 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.893 -0.870 -7.843 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.917 0.549 -7.054 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.254 0.184 -6.309 1.00 0.00 H new ATOM 894 N LYS A 68 3.313 -2.345 -14.180 1.00 0.00 N ATOM 895 CA LYS A 68 2.835 -2.801 -15.471 1.00 0.00 C ATOM 896 C LYS A 68 1.330 -3.019 -15.418 1.00 0.00 C ATOM 897 O LYS A 68 0.587 -2.426 -16.197 1.00 0.00 O ATOM 898 CB LYS A 68 3.555 -4.092 -15.851 1.00 0.00 C ATOM 899 CG LYS A 68 4.871 -3.754 -16.545 1.00 0.00 C ATOM 900 CD LYS A 68 6.034 -4.032 -15.597 1.00 0.00 C ATOM 901 CE LYS A 68 7.350 -3.934 -16.363 1.00 0.00 C ATOM 902 NZ LYS A 68 8.146 -2.786 -15.900 1.00 0.00 N ATOM 0 H LYS A 68 3.840 -3.043 -13.656 1.00 0.00 H new ATOM 0 HA LYS A 68 3.045 -2.045 -16.228 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.744 -4.691 -14.960 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.927 -4.691 -16.510 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.978 -4.348 -17.453 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.877 -2.707 -16.847 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.026 -3.317 -14.775 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.930 -5.024 -15.158 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.921 -4.853 -16.232 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.148 -3.834 -17.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.036 -2.742 -16.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.608 -1.908 -16.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.357 -2.896 -14.888 1.00 0.00 H new ATOM 916 N GLU A 69 0.880 -3.874 -14.496 1.00 0.00 N ATOM 917 CA GLU A 69 -0.532 -4.162 -14.349 1.00 0.00 C ATOM 918 C GLU A 69 -0.800 -4.758 -12.974 1.00 0.00 C ATOM 919 O GLU A 69 0.071 -4.743 -12.107 1.00 0.00 O ATOM 920 CB GLU A 69 -0.971 -5.123 -15.450 1.00 0.00 C ATOM 921 CG GLU A 69 -2.418 -4.830 -15.835 1.00 0.00 C ATOM 922 CD GLU A 69 -2.578 -4.779 -17.347 1.00 0.00 C ATOM 923 OE1 GLU A 69 -3.004 -5.813 -17.908 1.00 0.00 O ATOM 924 OE2 GLU A 69 -2.273 -3.709 -17.915 1.00 0.00 O ATOM 0 H GLU A 69 1.482 -4.375 -13.843 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.105 -3.239 -14.439 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.323 -5.016 -16.320 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.876 -6.153 -15.107 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.071 -5.599 -15.422 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.729 -3.880 -15.400 1.00 0.00 H new ATOM 932 N ARG A 70 -2.011 -5.286 -12.777 1.00 0.00 N ATOM 933 CA ARG A 70 -2.388 -5.884 -11.512 1.00 0.00 C ATOM 934 C ARG A 70 -1.280 -6.808 -11.028 1.00 0.00 C ATOM 935 O ARG A 70 -1.154 -7.054 -9.830 1.00 0.00 O ATOM 936 CB ARG A 70 -3.695 -6.652 -11.684 1.00 0.00 C ATOM 937 CG ARG A 70 -4.609 -6.372 -10.494 1.00 0.00 C ATOM 938 CD ARG A 70 -5.624 -7.503 -10.355 1.00 0.00 C ATOM 939 NE ARG A 70 -6.774 -7.082 -9.554 1.00 0.00 N ATOM 940 CZ ARG A 70 -6.777 -7.115 -8.215 1.00 0.00 C ATOM 941 NH1 ARG A 70 -5.696 -7.548 -7.553 1.00 0.00 N ATOM 942 NH2 ARG A 70 -7.862 -6.717 -7.537 1.00 0.00 N ATOM 0 H ARG A 70 -2.744 -5.307 -13.486 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.535 -5.104 -10.765 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.185 -6.354 -12.611 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.494 -7.721 -11.759 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.019 -6.284 -9.582 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.124 -5.422 -10.633 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.960 -7.818 -11.343 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.149 -8.367 -9.890 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.609 -6.749 -10.036 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.870 -7.853 -8.069 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.699 -7.573 -6.533 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.686 -6.389 -8.041 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.864 -6.742 -6.517 1.00 0.00 H new ATOM 956 N ARG A 71 -0.475 -7.319 -11.962 1.00 0.00 N ATOM 957 CA ARG A 71 0.616 -8.211 -11.627 1.00 0.00 C ATOM 958 C ARG A 71 1.683 -7.453 -10.851 1.00 0.00 C ATOM 959 O ARG A 71 1.857 -7.674 -9.654 1.00 0.00 O ATOM 960 CB ARG A 71 1.198 -8.804 -12.907 1.00 0.00 C ATOM 961 CG ARG A 71 0.076 -9.416 -13.741 1.00 0.00 C ATOM 962 CD ARG A 71 -0.165 -10.854 -13.292 1.00 0.00 C ATOM 963 NE ARG A 71 -1.462 -10.987 -12.629 1.00 0.00 N ATOM 964 CZ ARG A 71 -2.618 -11.059 -13.302 1.00 0.00 C ATOM 965 NH1 ARG A 71 -2.617 -11.012 -14.641 1.00 0.00 N ATOM 966 NH2 ARG A 71 -3.775 -11.179 -12.637 1.00 0.00 N ATOM 0 H ARG A 71 -0.566 -7.124 -12.959 1.00 0.00 H new ATOM 0 HA ARG A 71 0.247 -9.023 -11.000 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.710 -8.030 -13.479 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.940 -9.564 -12.663 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.836 -8.831 -13.628 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.340 -9.393 -14.798 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.124 -11.519 -14.154 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.628 -11.164 -12.612 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.487 -11.027 -11.610 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.736 -10.921 -15.147 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.497 -11.067 -15.154 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.776 -11.216 -11.618 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.655 -11.234 -13.150 1.00 0.00 H new ATOM 980 N GLU A 72 2.398 -6.556 -11.534 1.00 0.00 N ATOM 981 CA GLU A 72 3.440 -5.772 -10.903 1.00 0.00 C ATOM 982 C GLU A 72 2.942 -5.218 -9.575 1.00 0.00 C ATOM 983 O GLU A 72 3.684 -5.187 -8.595 1.00 0.00 O ATOM 984 CB GLU A 72 3.860 -4.640 -11.837 1.00 0.00 C ATOM 985 CG GLU A 72 4.755 -5.197 -12.940 1.00 0.00 C ATOM 986 CD GLU A 72 5.982 -5.878 -12.352 1.00 0.00 C ATOM 987 OE1 GLU A 72 6.284 -7.000 -12.813 1.00 0.00 O ATOM 988 OE2 GLU A 72 6.596 -5.264 -11.453 1.00 0.00 O ATOM 0 H GLU A 72 2.267 -6.361 -12.527 1.00 0.00 H new ATOM 0 HA GLU A 72 4.305 -6.405 -10.706 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.979 -4.168 -12.272 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.391 -3.870 -11.277 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.193 -5.909 -13.544 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.065 -4.390 -13.604 1.00 0.00 H new ATOM 996 N ALA A 73 1.681 -4.782 -9.545 1.00 0.00 N ATOM 997 CA ALA A 73 1.091 -4.232 -8.341 1.00 0.00 C ATOM 998 C ALA A 73 1.159 -5.258 -7.219 1.00 0.00 C ATOM 999 O ALA A 73 1.706 -4.981 -6.154 1.00 0.00 O ATOM 1000 CB ALA A 73 -0.355 -3.832 -8.622 1.00 0.00 C ATOM 0 H ALA A 73 1.053 -4.803 -10.349 1.00 0.00 H new ATOM 0 HA ALA A 73 1.645 -3.346 -8.030 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.800 -3.418 -7.717 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.378 -3.083 -9.413 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.921 -4.709 -8.936 1.00 0.00 H new ATOM 1006 N ARG A 74 0.601 -6.447 -7.460 1.00 0.00 N ATOM 1007 CA ARG A 74 0.600 -7.506 -6.472 1.00 0.00 C ATOM 1008 C ARG A 74 2.031 -7.910 -6.147 1.00 0.00 C ATOM 1009 O ARG A 74 2.307 -8.401 -5.054 1.00 0.00 O ATOM 1010 CB ARG A 74 -0.191 -8.697 -7.005 1.00 0.00 C ATOM 1011 CG ARG A 74 -0.495 -9.659 -5.860 1.00 0.00 C ATOM 1012 CD ARG A 74 -1.696 -10.526 -6.229 1.00 0.00 C ATOM 1013 NE ARG A 74 -1.360 -11.948 -6.157 1.00 0.00 N ATOM 1014 CZ ARG A 74 -0.763 -12.604 -7.161 1.00 0.00 C ATOM 1015 NH1 ARG A 74 -0.447 -11.956 -8.291 1.00 0.00 N ATOM 1016 NH2 ARG A 74 -0.481 -13.908 -7.035 1.00 0.00 N ATOM 0 H ARG A 74 0.144 -6.692 -8.338 1.00 0.00 H new ATOM 0 HA ARG A 74 0.127 -7.153 -5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.119 -8.355 -7.463 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.379 -9.207 -7.782 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.373 -10.287 -5.659 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.703 -9.101 -4.947 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.525 -10.310 -5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.031 -10.279 -7.236 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.590 -12.462 -5.306 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.661 -10.963 -8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.008 -12.456 -9.055 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.721 -14.401 -6.175 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.026 -14.408 -7.799 1.00 0.00 H new ATOM 1030 N LYS A 75 2.942 -7.703 -7.100 1.00 0.00 N ATOM 1031 CA LYS A 75 4.337 -8.047 -6.909 1.00 0.00 C ATOM 1032 C LYS A 75 4.977 -7.084 -5.920 1.00 0.00 C ATOM 1033 O LYS A 75 5.851 -7.472 -5.148 1.00 0.00 O ATOM 1034 CB LYS A 75 5.060 -8.000 -8.253 1.00 0.00 C ATOM 1035 CG LYS A 75 5.099 -9.401 -8.857 1.00 0.00 C ATOM 1036 CD LYS A 75 5.130 -9.298 -10.379 1.00 0.00 C ATOM 1037 CE LYS A 75 6.131 -10.306 -10.937 1.00 0.00 C ATOM 1038 NZ LYS A 75 6.237 -10.190 -12.400 1.00 0.00 N ATOM 0 H LYS A 75 2.730 -7.297 -8.011 1.00 0.00 H new ATOM 0 HA LYS A 75 4.413 -9.056 -6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.549 -7.315 -8.929 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.073 -7.621 -8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.978 -9.938 -8.500 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.226 -9.971 -8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.138 -9.490 -10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.408 -8.288 -10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.109 -10.142 -10.484 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.822 -11.317 -10.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.096 -10.677 -12.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.403 -10.625 -12.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.286 -9.186 -12.666 1.00 0.00 H new ATOM 1052 N TYR A 76 4.539 -5.823 -5.943 1.00 0.00 N ATOM 1053 CA TYR A 76 5.072 -4.813 -5.051 1.00 0.00 C ATOM 1054 C TYR A 76 4.561 -5.051 -3.637 1.00 0.00 C ATOM 1055 O TYR A 76 5.341 -5.067 -2.687 1.00 0.00 O ATOM 1056 CB TYR A 76 4.663 -3.430 -5.548 1.00 0.00 C ATOM 1057 CG TYR A 76 5.799 -2.434 -5.563 1.00 0.00 C ATOM 1058 CD1 TYR A 76 6.958 -2.705 -6.299 1.00 0.00 C ATOM 1059 CD2 TYR A 76 5.692 -1.240 -4.839 1.00 0.00 C ATOM 1060 CE1 TYR A 76 8.011 -1.782 -6.312 1.00 0.00 C ATOM 1061 CE2 TYR A 76 6.744 -0.317 -4.852 1.00 0.00 C ATOM 1062 CZ TYR A 76 7.904 -0.588 -5.588 1.00 0.00 C ATOM 1063 OH TYR A 76 8.930 0.311 -5.600 1.00 0.00 O ATOM 0 H TYR A 76 3.814 -5.485 -6.575 1.00 0.00 H new ATOM 0 HA TYR A 76 6.160 -4.873 -5.037 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.256 -3.520 -6.555 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.863 -3.047 -4.914 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.040 -3.626 -6.857 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.798 -1.031 -4.271 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.905 -1.991 -6.880 1.00 0.00 H new ATOM 0 HE2 TYR A 76 6.661 0.604 -4.294 1.00 0.00 H new ATOM 0 HH TYR A 76 8.743 1.012 -6.259 1.00 0.00 H new ATOM 1073 N ALA A 77 3.246 -5.237 -3.500 1.00 0.00 N ATOM 1074 CA ALA A 77 2.638 -5.472 -2.206 1.00 0.00 C ATOM 1075 C ALA A 77 3.280 -6.685 -1.548 1.00 0.00 C ATOM 1076 O ALA A 77 3.688 -6.622 -0.390 1.00 0.00 O ATOM 1077 CB ALA A 77 1.137 -5.683 -2.381 1.00 0.00 C ATOM 0 H ALA A 77 2.587 -5.228 -4.278 1.00 0.00 H new ATOM 0 HA ALA A 77 2.797 -4.607 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.679 -5.860 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.695 -4.796 -2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.963 -6.544 -3.026 1.00 0.00 H new ATOM 1083 N SER A 78 3.368 -7.792 -2.289 1.00 0.00 N ATOM 1084 CA SER A 78 3.959 -9.010 -1.773 1.00 0.00 C ATOM 1085 C SER A 78 5.386 -8.740 -1.318 1.00 0.00 C ATOM 1086 O SER A 78 5.780 -9.147 -0.227 1.00 0.00 O ATOM 1087 CB SER A 78 3.932 -10.085 -2.856 1.00 0.00 C ATOM 1088 OG SER A 78 4.820 -9.731 -3.892 1.00 0.00 O ATOM 0 H SER A 78 3.034 -7.861 -3.250 1.00 0.00 H new ATOM 0 HA SER A 78 3.386 -9.361 -0.915 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.215 -11.049 -2.434 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.922 -10.194 -3.250 1.00 0.00 H new ATOM 0 HG SER A 78 4.804 -10.422 -4.587 1.00 0.00 H new ATOM 1094 N SER A 79 6.161 -8.049 -2.157 1.00 0.00 N ATOM 1095 CA SER A 79 7.537 -7.726 -1.836 1.00 0.00 C ATOM 1096 C SER A 79 7.593 -6.947 -0.530 1.00 0.00 C ATOM 1097 O SER A 79 8.542 -7.088 0.239 1.00 0.00 O ATOM 1098 CB SER A 79 8.148 -6.916 -2.976 1.00 0.00 C ATOM 1099 OG SER A 79 8.814 -7.785 -3.865 1.00 0.00 O ATOM 0 H SER A 79 5.850 -7.705 -3.065 1.00 0.00 H new ATOM 0 HA SER A 79 8.111 -8.644 -1.713 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.369 -6.366 -3.504 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.846 -6.179 -2.579 1.00 0.00 H new ATOM 0 HG SER A 79 9.205 -7.266 -4.598 1.00 0.00 H new ATOM 1105 N MET A 80 6.573 -6.123 -0.279 1.00 0.00 N ATOM 1106 CA MET A 80 6.515 -5.328 0.931 1.00 0.00 C ATOM 1107 C MET A 80 6.289 -6.232 2.135 1.00 0.00 C ATOM 1108 O MET A 80 6.913 -6.049 3.178 1.00 0.00 O ATOM 1109 CB MET A 80 5.392 -4.301 0.810 1.00 0.00 C ATOM 1110 CG MET A 80 5.993 -2.908 0.645 1.00 0.00 C ATOM 1111 SD MET A 80 4.762 -1.586 0.528 1.00 0.00 S ATOM 1112 CE MET A 80 3.735 -2.020 1.953 1.00 0.00 C ATOM 0 H MET A 80 5.778 -5.995 -0.905 1.00 0.00 H new ATOM 0 HA MET A 80 7.460 -4.802 1.069 1.00 0.00 H new ATOM 0 HB2 MET A 80 4.758 -4.539 -0.044 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.758 -4.333 1.696 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.651 -2.705 1.490 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.613 -2.894 -0.252 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.233 -1.127 2.325 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.990 -2.757 1.654 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.363 -2.437 2.740 1.00 0.00 H new ATOM 1122 N LEU A 81 5.394 -7.211 1.988 1.00 0.00 N ATOM 1123 CA LEU A 81 5.091 -8.138 3.060 1.00 0.00 C ATOM 1124 C LEU A 81 6.361 -8.852 3.500 1.00 0.00 C ATOM 1125 O LEU A 81 6.632 -8.961 4.693 1.00 0.00 O ATOM 1126 CB LEU A 81 4.044 -9.142 2.583 1.00 0.00 C ATOM 1127 CG LEU A 81 3.662 -10.064 3.737 1.00 0.00 C ATOM 1128 CD1 LEU A 81 4.908 -10.775 4.255 1.00 0.00 C ATOM 1129 CD2 LEU A 81 3.041 -9.240 4.862 1.00 0.00 C ATOM 0 H LEU A 81 4.869 -7.376 1.129 1.00 0.00 H new ATOM 0 HA LEU A 81 4.690 -7.593 3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.162 -8.617 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.437 -9.726 1.751 1.00 0.00 H new ATOM 0 HG LEU A 81 2.941 -10.804 3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.635 -11.434 5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.351 -11.364 3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.630 -10.036 4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.768 -9.898 5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.761 -8.500 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.150 -8.733 4.492 1.00 0.00 H new ATOM 1141 N LYS A 82 7.140 -9.339 2.531 1.00 0.00 N ATOM 1142 CA LYS A 82 8.375 -10.038 2.825 1.00 0.00 C ATOM 1143 C LYS A 82 9.367 -9.086 3.477 1.00 0.00 C ATOM 1144 O LYS A 82 9.894 -9.373 4.550 1.00 0.00 O ATOM 1145 CB LYS A 82 8.950 -10.617 1.535 1.00 0.00 C ATOM 1146 CG LYS A 82 8.577 -12.093 1.430 1.00 0.00 C ATOM 1147 CD LYS A 82 7.059 -12.241 1.483 1.00 0.00 C ATOM 1148 CE LYS A 82 6.689 -13.339 2.476 1.00 0.00 C ATOM 1149 NZ LYS A 82 7.182 -14.649 2.022 1.00 0.00 N ATOM 0 H LYS A 82 6.929 -9.257 1.536 1.00 0.00 H new ATOM 0 HA LYS A 82 8.177 -10.855 3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.563 -10.071 0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.034 -10.503 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.961 -12.511 0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.036 -12.654 2.244 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.601 -11.298 1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.672 -12.485 0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.111 -13.107 3.454 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.606 -13.376 2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.383 -15.308 1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.650 -14.543 1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.862 -15.023 2.714 1.00 0.00 H new ATOM 1163 N HIS A 83 9.623 -7.948 2.826 1.00 0.00 N ATOM 1164 CA HIS A 83 10.551 -6.965 3.346 1.00 0.00 C ATOM 1165 C HIS A 83 10.362 -6.817 4.850 1.00 0.00 C ATOM 1166 O HIS A 83 11.305 -6.486 5.566 1.00 0.00 O ATOM 1167 CB HIS A 83 10.326 -5.631 2.640 1.00 0.00 C ATOM 1168 CG HIS A 83 11.605 -5.016 2.140 1.00 0.00 C ATOM 1169 ND1 HIS A 83 12.628 -4.526 2.919 1.00 0.00 N ATOM 1170 CD2 HIS A 83 11.959 -4.843 0.830 1.00 0.00 C ATOM 1171 CE1 HIS A 83 13.580 -4.068 2.087 1.00 0.00 C ATOM 1172 NE2 HIS A 83 13.219 -4.238 0.804 1.00 0.00 N ATOM 0 H HIS A 83 9.195 -7.693 1.936 1.00 0.00 H new ATOM 0 HA HIS A 83 11.574 -7.293 3.160 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.646 -5.779 1.801 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.839 -4.939 3.327 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.370 -5.124 -0.031 1.00 0.00 H new ATOM 0 HE1 HIS A 83 14.510 -3.623 2.407 1.00 0.00 H new ATOM 0 HE2 HIS A 83 13.756 -3.978 -0.023 1.00 0.00 H new ATOM 1180 N GLY A 84 9.140 -7.063 5.327 1.00 0.00 N ATOM 1181 CA GLY A 84 8.840 -6.954 6.741 1.00 0.00 C ATOM 1182 C GLY A 84 8.011 -5.706 7.010 1.00 0.00 C ATOM 1183 O GLY A 84 7.850 -5.300 8.159 1.00 0.00 O ATOM 0 H GLY A 84 8.347 -7.339 4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.297 -7.838 7.074 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.766 -6.914 7.314 1.00 0.00 H new ATOM 1187 N PHE A 85 7.484 -5.097 5.945 1.00 0.00 N ATOM 1188 CA PHE A 85 6.676 -3.901 6.073 1.00 0.00 C ATOM 1189 C PHE A 85 5.245 -4.279 6.429 1.00 0.00 C ATOM 1190 O PHE A 85 4.374 -3.416 6.505 1.00 0.00 O ATOM 1191 CB PHE A 85 6.720 -3.117 4.764 1.00 0.00 C ATOM 1192 CG PHE A 85 8.027 -2.397 4.536 1.00 0.00 C ATOM 1193 CD1 PHE A 85 8.511 -1.502 5.499 1.00 0.00 C ATOM 1194 CD2 PHE A 85 8.754 -2.620 3.361 1.00 0.00 C ATOM 1195 CE1 PHE A 85 9.722 -0.833 5.287 1.00 0.00 C ATOM 1196 CE2 PHE A 85 9.965 -1.951 3.149 1.00 0.00 C ATOM 1197 CZ PHE A 85 10.449 -1.057 4.112 1.00 0.00 C ATOM 0 H PHE A 85 7.608 -5.420 4.986 1.00 0.00 H new ATOM 0 HA PHE A 85 7.072 -3.273 6.871 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.542 -3.801 3.934 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.908 -2.390 4.758 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.950 -1.328 6.405 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.380 -3.309 2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.096 -0.144 6.030 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.526 -2.124 2.243 1.00 0.00 H new ATOM 0 HZ PHE A 85 11.383 -0.540 3.948 1.00 0.00 H new ATOM 1207 N LEU A 86 5.005 -5.574 6.646 1.00 0.00 N ATOM 1208 CA LEU A 86 3.684 -6.060 6.992 1.00 0.00 C ATOM 1209 C LEU A 86 3.800 -7.371 7.756 1.00 0.00 C ATOM 1210 O LEU A 86 4.610 -8.227 7.406 1.00 0.00 O ATOM 1211 CB LEU A 86 2.862 -6.246 5.720 1.00 0.00 C ATOM 1212 CG LEU A 86 1.986 -5.017 5.497 1.00 0.00 C ATOM 1213 CD1 LEU A 86 1.748 -4.825 4.002 1.00 0.00 C ATOM 1214 CD2 LEU A 86 0.648 -5.210 6.205 1.00 0.00 C ATOM 0 H LEU A 86 5.717 -6.301 6.586 1.00 0.00 H new ATOM 0 HA LEU A 86 3.181 -5.334 7.631 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.523 -6.395 4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.241 -7.138 5.802 1.00 0.00 H new ATOM 0 HG LEU A 86 2.487 -4.137 5.900 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.122 -3.947 3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.704 -4.686 3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.248 -5.705 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.022 -4.332 6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.147 -6.091 5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.818 -5.346 7.273 1.00 0.00 H new ATOM 1226 N ARG A 87 2.985 -7.527 8.803 1.00 0.00 N ATOM 1227 CA ARG A 87 3.000 -8.730 9.610 1.00 0.00 C ATOM 1228 C ARG A 87 1.577 -9.227 9.822 1.00 0.00 C ATOM 1229 O ARG A 87 0.623 -8.467 9.667 1.00 0.00 O ATOM 1230 CB ARG A 87 3.674 -8.436 10.947 1.00 0.00 C ATOM 1231 CG ARG A 87 5.104 -8.968 10.924 1.00 0.00 C ATOM 1232 CD ARG A 87 5.928 -8.262 11.997 1.00 0.00 C ATOM 1233 NE ARG A 87 7.072 -9.078 12.403 1.00 0.00 N ATOM 1234 CZ ARG A 87 7.721 -8.892 13.560 1.00 0.00 C ATOM 1235 NH1 ARG A 87 7.328 -7.927 14.402 1.00 0.00 N ATOM 1236 NH2 ARG A 87 8.764 -9.672 13.876 1.00 0.00 N ATOM 0 H ARG A 87 2.307 -6.827 9.105 1.00 0.00 H new ATOM 0 HA ARG A 87 3.563 -9.509 9.097 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.677 -7.363 11.137 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.115 -8.901 11.758 1.00 0.00 H new ATOM 0 HG2 ARG A 87 5.106 -10.044 11.099 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.549 -8.804 9.942 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.278 -7.302 11.618 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.300 -8.053 12.863 1.00 0.00 H new ATOM 0 HE ARG A 87 7.389 -9.820 11.779 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.534 -7.333 14.162 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.823 -7.786 15.283 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.064 -10.407 13.236 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.258 -9.530 14.757 1.00 0.00 H new ATOM 1250 N HIS A 88 1.434 -10.505 10.178 1.00 0.00 N ATOM 1251 CA HIS A 88 0.128 -11.091 10.406 1.00 0.00 C ATOM 1252 C HIS A 88 0.112 -11.823 11.741 1.00 0.00 C ATOM 1253 O HIS A 88 0.266 -11.205 12.792 1.00 0.00 O ATOM 1254 CB HIS A 88 -0.207 -12.046 9.263 1.00 0.00 C ATOM 1255 CG HIS A 88 -1.596 -12.612 9.368 1.00 0.00 C ATOM 1256 ND1 HIS A 88 -2.736 -11.907 9.643 1.00 0.00 N flip ATOM 1257 CD2 HIS A 88 -1.948 -13.933 9.205 1.00 0.00 C flip ATOM 1258 CE1 HIS A 88 -3.805 -12.809 9.648 1.00 0.00 C flip ATOM 1259 NE2 HIS A 88 -3.279 -14.016 9.380 1.00 0.00 N flip ATOM 0 H HIS A 88 2.214 -11.149 10.313 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.625 -10.303 10.439 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.104 -11.520 8.314 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.514 -12.863 9.255 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.280 -14.751 8.979 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.845 -12.581 9.831 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -3.817 -14.880 9.318 1.00 0.00 H new ATOM 1267 N THR A 89 -0.074 -13.144 11.697 1.00 0.00 N ATOM 1268 CA THR A 89 -0.107 -13.948 12.902 1.00 0.00 C ATOM 1269 C THR A 89 0.950 -15.040 12.827 1.00 0.00 C ATOM 1270 O THR A 89 1.130 -15.801 13.775 1.00 0.00 O ATOM 1271 CB THR A 89 -1.498 -14.553 13.071 1.00 0.00 C ATOM 1272 OG1 THR A 89 -1.653 -15.631 12.176 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.554 -13.491 12.777 1.00 0.00 C ATOM 0 H THR A 89 -0.203 -13.672 10.834 1.00 0.00 H new ATOM 0 HA THR A 89 0.111 -13.321 13.766 1.00 0.00 H new ATOM 0 HB THR A 89 -1.617 -14.910 14.094 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.546 -16.021 12.285 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.548 -13.923 12.898 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.434 -12.657 13.469 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.435 -13.133 11.754 1.00 0.00 H new ATOM 1281 N VAL A 90 1.650 -15.116 11.692 1.00 0.00 N ATOM 1282 CA VAL A 90 2.684 -16.112 11.497 1.00 0.00 C ATOM 1283 C VAL A 90 4.001 -15.605 12.067 1.00 0.00 C ATOM 1284 O VAL A 90 4.365 -14.450 11.860 1.00 0.00 O ATOM 1285 CB VAL A 90 2.821 -16.418 10.008 1.00 0.00 C ATOM 1286 CG1 VAL A 90 1.434 -16.598 9.397 1.00 0.00 C ATOM 1287 CG2 VAL A 90 3.536 -15.261 9.316 1.00 0.00 C ATOM 0 H VAL A 90 1.512 -14.493 10.896 1.00 0.00 H new ATOM 0 HA VAL A 90 2.414 -17.030 12.019 1.00 0.00 H new ATOM 0 HB VAL A 90 3.398 -17.333 9.875 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.530 -16.817 8.334 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.923 -17.423 9.892 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.857 -15.683 9.528 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.635 -15.478 8.252 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.959 -14.346 9.448 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.526 -15.131 9.753 1.00 0.00 H new ATOM 1297 N ASN A 91 4.717 -16.473 12.786 1.00 0.00 N ATOM 1298 CA ASN A 91 5.988 -16.108 13.379 1.00 0.00 C ATOM 1299 C ASN A 91 6.828 -15.336 12.371 1.00 0.00 C ATOM 1300 O ASN A 91 7.393 -14.295 12.697 1.00 0.00 O ATOM 1301 CB ASN A 91 6.715 -17.369 13.835 1.00 0.00 C ATOM 1302 CG ASN A 91 5.935 -18.079 14.933 1.00 0.00 C ATOM 1303 OD1 ASN A 91 6.126 -17.798 16.114 1.00 0.00 O ATOM 1304 ND2 ASN A 91 5.053 -19.001 14.540 1.00 0.00 N ATOM 0 H ASN A 91 4.429 -17.435 12.967 1.00 0.00 H new ATOM 0 HA ASN A 91 5.818 -15.468 14.245 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.852 -18.041 12.988 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.709 -17.109 14.199 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.502 -19.508 15.233 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.930 -19.199 13.547 1.00 0.00 H new ATOM 1311 N LYS A 92 6.909 -15.851 11.141 1.00 0.00 N ATOM 1312 CA LYS A 92 7.678 -15.208 10.095 1.00 0.00 C ATOM 1313 C LYS A 92 6.854 -14.102 9.451 1.00 0.00 C ATOM 1314 O LYS A 92 6.355 -13.215 10.140 1.00 0.00 O ATOM 1315 CB LYS A 92 8.091 -16.248 9.057 1.00 0.00 C ATOM 1316 CG LYS A 92 8.797 -17.408 9.753 1.00 0.00 C ATOM 1317 CD LYS A 92 10.196 -17.578 9.166 1.00 0.00 C ATOM 1318 CE LYS A 92 11.223 -16.963 10.112 1.00 0.00 C ATOM 1319 NZ LYS A 92 11.577 -17.900 11.189 1.00 0.00 N ATOM 0 H LYS A 92 6.447 -16.714 10.854 1.00 0.00 H new ATOM 0 HA LYS A 92 8.576 -14.761 10.522 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.214 -16.611 8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.752 -15.797 8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.861 -17.218 10.824 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.223 -18.326 9.625 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.412 -18.636 9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.253 -17.098 8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.119 -16.690 9.554 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.823 -16.045 10.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.277 -17.457 11.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.725 -18.140 11.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.980 -18.766 10.777 1.00 0.00 H new ATOM 1333 N ILE A 93 6.713 -14.157 8.124 1.00 0.00 N ATOM 1334 CA ILE A 93 5.951 -13.164 7.393 1.00 0.00 C ATOM 1335 C ILE A 93 4.914 -13.853 6.518 1.00 0.00 C ATOM 1336 O ILE A 93 3.732 -13.878 6.855 1.00 0.00 O ATOM 1337 CB ILE A 93 6.898 -12.318 6.547 1.00 0.00 C ATOM 1338 CG1 ILE A 93 8.147 -13.129 6.216 1.00 0.00 C ATOM 1339 CG2 ILE A 93 7.295 -11.067 7.326 1.00 0.00 C ATOM 1340 CD1 ILE A 93 9.161 -12.987 7.348 1.00 0.00 C ATOM 0 H ILE A 93 7.122 -14.886 7.539 1.00 0.00 H new ATOM 0 HA ILE A 93 5.430 -12.511 8.093 1.00 0.00 H new ATOM 0 HB ILE A 93 6.399 -12.028 5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.886 -14.178 6.077 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.581 -12.781 5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.972 -10.462 6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 93 6.403 -10.487 7.562 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.795 -11.357 8.250 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.054 -13.566 7.112 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.430 -11.937 7.466 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.724 -13.356 8.276 1.00 0.00 H new ATOM 1352 N THR A 94 5.357 -14.414 5.391 1.00 0.00 N ATOM 1353 CA THR A 94 4.464 -15.099 4.478 1.00 0.00 C ATOM 1354 C THR A 94 3.352 -14.159 4.036 1.00 0.00 C ATOM 1355 O THR A 94 2.583 -13.671 4.862 1.00 0.00 O ATOM 1356 CB THR A 94 3.887 -16.334 5.165 1.00 0.00 C ATOM 1357 OG1 THR A 94 2.807 -15.952 5.987 1.00 0.00 O ATOM 1358 CG2 THR A 94 4.966 -16.994 6.017 1.00 0.00 C ATOM 0 H THR A 94 6.333 -14.403 5.096 1.00 0.00 H new ATOM 0 HA THR A 94 5.016 -15.414 3.593 1.00 0.00 H new ATOM 0 HB THR A 94 3.539 -17.040 4.411 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.835 -14.984 6.135 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.554 -17.876 6.507 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.801 -17.289 5.382 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.315 -16.289 6.772 1.00 0.00 H new ATOM 1366 N PHE A 95 3.269 -13.904 2.729 1.00 0.00 N ATOM 1367 CA PHE A 95 2.253 -13.025 2.186 1.00 0.00 C ATOM 1368 C PHE A 95 1.009 -13.829 1.834 1.00 0.00 C ATOM 1369 O PHE A 95 1.087 -15.037 1.625 1.00 0.00 O ATOM 1370 CB PHE A 95 2.804 -12.312 0.954 1.00 0.00 C ATOM 1371 CG PHE A 95 1.894 -11.229 0.427 1.00 0.00 C ATOM 1372 CD1 PHE A 95 1.118 -10.473 1.314 1.00 0.00 C ATOM 1373 CD2 PHE A 95 1.828 -10.978 -0.949 1.00 0.00 C ATOM 1374 CE1 PHE A 95 0.276 -9.467 0.825 1.00 0.00 C ATOM 1375 CE2 PHE A 95 0.986 -9.972 -1.438 1.00 0.00 C ATOM 1376 CZ PHE A 95 0.210 -9.217 -0.551 1.00 0.00 C ATOM 0 H PHE A 95 3.899 -14.299 2.031 1.00 0.00 H new ATOM 0 HA PHE A 95 1.978 -12.277 2.930 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.772 -11.875 1.200 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.977 -13.046 0.166 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.169 -10.666 2.375 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.427 -11.561 -1.633 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.323 -8.884 1.509 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.935 -9.779 -2.499 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.440 -8.441 -0.928 1.00 0.00 H new ATOM 1386 N SER A 96 -0.141 -13.154 1.768 1.00 0.00 N ATOM 1387 CA SER A 96 -1.392 -13.807 1.440 1.00 0.00 C ATOM 1388 C SER A 96 -2.261 -12.873 0.610 1.00 0.00 C ATOM 1389 O SER A 96 -2.534 -13.149 -0.557 1.00 0.00 O ATOM 1390 CB SER A 96 -2.107 -14.209 2.727 1.00 0.00 C ATOM 1391 OG SER A 96 -1.805 -15.552 3.032 1.00 0.00 O ATOM 0 H SER A 96 -0.222 -12.152 1.940 1.00 0.00 H new ATOM 0 HA SER A 96 -1.195 -14.704 0.853 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.797 -13.560 3.546 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.184 -14.084 2.612 1.00 0.00 H new ATOM 0 HG SER A 96 -0.897 -15.761 2.727 1.00 0.00 H new ATOM 1397 N GLU A 97 -2.695 -11.764 1.213 1.00 0.00 N ATOM 1398 CA GLU A 97 -3.527 -10.798 0.524 1.00 0.00 C ATOM 1399 C GLU A 97 -4.948 -11.330 0.402 1.00 0.00 C ATOM 1400 O GLU A 97 -5.661 -10.992 -0.540 1.00 0.00 O ATOM 1401 CB GLU A 97 -2.937 -10.511 -0.853 1.00 0.00 C ATOM 1402 CG GLU A 97 -3.553 -9.233 -1.414 1.00 0.00 C ATOM 1403 CD GLU A 97 -3.995 -9.431 -2.857 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -4.321 -10.589 -3.197 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -3.999 -8.421 -3.593 1.00 0.00 O ATOM 0 H GLU A 97 -2.479 -11.520 2.179 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.558 -9.869 1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.855 -10.405 -0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.132 -11.347 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.408 -8.939 -0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.828 -8.421 -1.360 1.00 0.00 H new ATOM 1413 N GLN A 98 -5.358 -12.165 1.360 1.00 0.00 N ATOM 1414 CA GLN A 98 -6.689 -12.738 1.354 1.00 0.00 C ATOM 1415 C GLN A 98 -7.408 -12.389 2.650 1.00 0.00 C ATOM 1416 O GLN A 98 -8.601 -12.096 2.641 1.00 0.00 O ATOM 1417 CB GLN A 98 -6.589 -14.251 1.182 1.00 0.00 C ATOM 1418 CG GLN A 98 -7.409 -14.682 -0.030 1.00 0.00 C ATOM 1419 CD GLN A 98 -8.896 -14.480 0.221 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -9.548 -15.334 0.818 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -9.432 -13.347 -0.238 1.00 0.00 N ATOM 0 H GLN A 98 -4.779 -12.455 2.148 1.00 0.00 H new ATOM 0 HA GLN A 98 -7.262 -12.327 0.523 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.547 -14.545 1.052 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.953 -14.754 2.078 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.102 -14.108 -0.904 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -7.213 -15.731 -0.253 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -8.849 -12.669 -0.728 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -10.425 -13.160 -0.099 1.00 0.00 H new ATOM 1430 N CYS A 99 -6.675 -12.420 3.766 1.00 0.00 N ATOM 1431 CA CYS A 99 -7.238 -12.107 5.064 1.00 0.00 C ATOM 1432 C CYS A 99 -6.891 -10.674 5.438 1.00 0.00 C ATOM 1433 O CYS A 99 -6.787 -9.812 4.568 1.00 0.00 O ATOM 1434 CB CYS A 99 -6.697 -13.086 6.102 1.00 0.00 C ATOM 1435 SG CYS A 99 -6.784 -14.761 5.423 1.00 0.00 S ATOM 0 H CYS A 99 -5.684 -12.662 3.787 1.00 0.00 H new ATOM 0 HA CYS A 99 -8.323 -12.201 5.030 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -5.667 -12.835 6.357 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -7.278 -13.021 7.022 1.00 0.00 H new ATOM 0 HG CYS A 99 -6.324 -15.607 6.296 1.00 0.00 H new ATOM 1441 N TYR A 100 -6.711 -10.419 6.736 1.00 0.00 N ATOM 1442 CA TYR A 100 -6.378 -9.092 7.214 1.00 0.00 C ATOM 1443 C TYR A 100 -5.067 -9.135 7.987 1.00 0.00 C ATOM 1444 O TYR A 100 -4.885 -9.984 8.857 1.00 0.00 O ATOM 1445 CB TYR A 100 -7.509 -8.572 8.097 1.00 0.00 C ATOM 1446 CG TYR A 100 -8.148 -9.642 8.950 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -9.000 -10.588 8.367 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -7.888 -9.689 10.325 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -9.592 -11.579 9.158 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -8.480 -10.680 11.116 1.00 0.00 C ATOM 1451 CZ TYR A 100 -9.332 -11.625 10.533 1.00 0.00 C ATOM 1452 OH TYR A 100 -9.909 -12.591 11.304 1.00 0.00 O ATOM 0 H TYR A 100 -6.792 -11.122 7.470 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.255 -8.417 6.367 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.121 -7.786 8.745 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.273 -8.118 7.466 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -9.200 -10.553 7.306 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -7.230 -8.960 10.775 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -10.249 -12.308 8.708 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.279 -10.716 12.177 1.00 0.00 H new ATOM 0 HH TYR A 100 -9.623 -12.481 12.235 1.00 0.00 H new ATOM 1462 N TYR A 101 -4.153 -8.216 7.668 1.00 0.00 N ATOM 1463 CA TYR A 101 -2.867 -8.156 8.332 1.00 0.00 C ATOM 1464 C TYR A 101 -2.717 -6.821 9.048 1.00 0.00 C ATOM 1465 O TYR A 101 -3.671 -6.051 9.136 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.756 -8.345 7.303 1.00 0.00 C ATOM 1467 CG TYR A 101 -1.366 -9.789 7.094 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -2.304 -10.805 7.313 1.00 0.00 C ATOM 1469 CD2 TYR A 101 -0.068 -10.111 6.682 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -1.943 -12.144 7.120 1.00 0.00 C ATOM 1471 CE2 TYR A 101 0.293 -11.450 6.489 1.00 0.00 C ATOM 1472 CZ TYR A 101 -0.644 -12.466 6.708 1.00 0.00 C ATOM 1473 OH TYR A 101 -0.293 -13.770 6.519 1.00 0.00 O ATOM 0 H TYR A 101 -4.289 -7.504 6.950 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.798 -8.952 9.073 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -2.078 -7.923 6.351 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.878 -7.782 7.621 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.306 -10.556 7.631 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.655 -9.327 6.513 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.666 -12.928 7.289 1.00 0.00 H new ATOM 0 HE2 TYR A 101 1.295 -11.699 6.171 1.00 0.00 H new ATOM 0 HH TYR A 101 0.571 -13.813 6.058 1.00 0.00 H new ATOM 1483 N VAL A 102 -1.515 -6.549 9.561 1.00 0.00 N ATOM 1484 CA VAL A 102 -1.246 -5.312 10.266 1.00 0.00 C ATOM 1485 C VAL A 102 0.185 -4.869 10.001 1.00 0.00 C ATOM 1486 O VAL A 102 1.126 -5.614 10.263 1.00 0.00 O ATOM 1487 CB VAL A 102 -1.481 -5.517 11.760 1.00 0.00 C ATOM 1488 CG1 VAL A 102 -0.340 -4.881 12.547 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -2.801 -4.865 12.161 1.00 0.00 C ATOM 0 H VAL A 102 -0.714 -7.178 9.496 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.919 -4.532 9.910 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.521 -6.584 11.978 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.508 -5.027 13.614 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.603 -5.347 12.261 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.299 -3.814 12.329 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.970 -5.011 13.228 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.761 -3.798 11.943 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.617 -5.320 11.599 1.00 0.00 H new ATOM 1499 N PHE A 103 0.348 -3.651 9.479 1.00 0.00 N ATOM 1500 CA PHE A 103 1.663 -3.118 9.183 1.00 0.00 C ATOM 1501 C PHE A 103 2.657 -3.579 10.239 1.00 0.00 C ATOM 1502 O PHE A 103 2.270 -3.901 11.360 1.00 0.00 O ATOM 1503 CB PHE A 103 1.593 -1.594 9.134 1.00 0.00 C ATOM 1504 CG PHE A 103 0.844 -0.987 10.296 1.00 0.00 C ATOM 1505 CD1 PHE A 103 1.347 -1.114 11.596 1.00 0.00 C ATOM 1506 CD2 PHE A 103 -0.353 -0.295 10.073 1.00 0.00 C ATOM 1507 CE1 PHE A 103 0.653 -0.549 12.673 1.00 0.00 C ATOM 1508 CE2 PHE A 103 -1.046 0.269 11.150 1.00 0.00 C ATOM 1509 CZ PHE A 103 -0.544 0.142 12.450 1.00 0.00 C ATOM 0 H PHE A 103 -0.422 -3.020 9.255 1.00 0.00 H new ATOM 0 HA PHE A 103 1.999 -3.485 8.213 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.606 -1.192 9.116 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.113 -1.290 8.204 1.00 0.00 H new ATOM 0 HD1 PHE A 103 2.270 -1.648 11.768 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.741 -0.197 9.070 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.041 -0.646 13.676 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.969 0.803 10.978 1.00 0.00 H new ATOM 0 HZ PHE A 103 -1.080 0.577 13.281 1.00 0.00 H new ATOM 1519 N GLY A 104 3.943 -3.611 9.879 1.00 0.00 N ATOM 1520 CA GLY A 104 4.980 -4.033 10.799 1.00 0.00 C ATOM 1521 C GLY A 104 6.116 -3.020 10.813 1.00 0.00 C ATOM 1522 O GLY A 104 5.992 -1.936 10.247 1.00 0.00 O ATOM 0 H GLY A 104 4.282 -3.348 8.954 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.565 -4.139 11.802 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.360 -5.012 10.506 1.00 0.00 H new ATOM 1526 N ASP A 105 7.227 -3.377 11.463 1.00 0.00 N ATOM 1527 CA ASP A 105 8.377 -2.500 11.548 1.00 0.00 C ATOM 1528 C ASP A 105 9.554 -3.251 12.154 1.00 0.00 C ATOM 1529 O ASP A 105 9.651 -3.376 13.373 1.00 0.00 O ATOM 1530 CB ASP A 105 8.023 -1.278 12.392 1.00 0.00 C ATOM 1531 CG ASP A 105 8.845 -0.069 11.970 1.00 0.00 C ATOM 1532 OD1 ASP A 105 8.251 0.825 11.330 1.00 0.00 O ATOM 1533 OD2 ASP A 105 10.051 -0.061 12.296 1.00 0.00 O ATOM 0 H ASP A 105 7.345 -4.273 11.937 1.00 0.00 H new ATOM 0 HA ASP A 105 8.659 -2.166 10.550 1.00 0.00 H new ATOM 0 HB2 ASP A 105 6.961 -1.055 12.288 1.00 0.00 H new ATOM 0 HB3 ASP A 105 8.202 -1.494 13.445 1.00 0.00 H new