USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 808 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 46 MET CE :methyl 172:sc= -0.104 (180deg=-0.2) USER MOD Set 1.2: A 97 GLN : amide:sc= -0.0296 K(o=-0.13,f=-0.77) USER MOD Set 2.1: A 29 CYS SG : rot 130:sc= 0.301 USER MOD Set 2.2: A 32 CYS SG : rot 72:sc= 0.0678 USER MOD Set 3.1: A 7 THR OG1 : rot -160:sc= 0.552 USER MOD Set 3.2: A 9 GLN : amide:sc= -0.936 K(o=-0.38,f=0.28) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -143:sc= 0.869 (180deg=0.0805) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -87:sc= 1.25 USER MOD Single : A 16 SER OG : rot 73:sc= 1.22 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0.396 X(o=0.4,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= 2.75 (180deg=2.73) USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.19) USER MOD Single : A 60 ASN : amide:sc= 0.254 K(o=0.25,f=-8.3!) USER MOD Single : A 61 GLN : amide:sc= -2.26! C(o=-2.3!,f=-2.1!) USER MOD Single : A 63 THR OG1 : rot -64:sc= 0.623 USER MOD Single : A 66 LYS NZ :NH3+ -158:sc= 1.19 (180deg=0.777) USER MOD Single : A 67 TYR OH : rot -133:sc= 0.757 USER MOD Single : A 70 MET CE :methyl 159:sc= -0.0129 (180deg=-0.188) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 107:sc= 1.25 USER MOD Single : A 79 LYS NZ :NH3+ -158:sc= 1.96 (180deg=1.28) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.23) USER MOD Single : A 101 ASN : amide:sc= 0.25 X(o=0.25,f=-0.0054) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.466 -0.161 0.226 1.00 0.00 N ATOM 2 CA MET A 1 2.370 -0.279 -0.765 1.00 0.00 C ATOM 3 C MET A 1 2.249 -1.725 -1.252 1.00 0.00 C ATOM 4 O MET A 1 3.258 -2.348 -1.596 1.00 0.00 O ATOM 5 CB MET A 1 2.502 0.724 -1.936 1.00 0.00 C ATOM 6 CG MET A 1 3.690 0.554 -2.898 1.00 0.00 C ATOM 7 SD MET A 1 5.349 0.837 -2.219 1.00 0.00 S ATOM 8 CE MET A 1 6.323 0.640 -3.737 1.00 0.00 C ATOM 0 H1 MET A 1 3.194 0.517 0.966 1.00 0.00 H new ATOM 0 H2 MET A 1 3.646 -1.090 0.657 1.00 0.00 H new ATOM 0 H3 MET A 1 4.329 0.173 -0.249 1.00 0.00 H new ATOM 0 HA MET A 1 1.443 -0.009 -0.260 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.586 0.674 -2.524 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.555 1.727 -1.513 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.657 -0.458 -3.301 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.547 1.235 -3.737 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.380 0.781 -3.512 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.168 -0.360 -4.141 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.006 1.381 -4.471 1.00 0.00 H new ATOM 20 N ALA A 2 1.032 -2.283 -1.242 1.00 0.00 N ATOM 21 CA ALA A 2 0.732 -3.603 -1.784 1.00 0.00 C ATOM 22 C ALA A 2 -0.760 -3.693 -2.109 1.00 0.00 C ATOM 23 O ALA A 2 -1.599 -3.120 -1.407 1.00 0.00 O ATOM 24 CB ALA A 2 1.095 -4.695 -0.767 1.00 0.00 C ATOM 0 H ALA A 2 0.216 -1.815 -0.848 1.00 0.00 H new ATOM 0 HA ALA A 2 1.320 -3.752 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.865 -5.674 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.159 -4.639 -0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.519 -4.548 0.146 1.00 0.00 H new ATOM 30 N ILE A 3 -1.074 -4.472 -3.141 1.00 0.00 N ATOM 31 CA ILE A 3 -2.430 -4.820 -3.546 1.00 0.00 C ATOM 32 C ILE A 3 -2.967 -5.868 -2.557 1.00 0.00 C ATOM 33 O ILE A 3 -2.198 -6.609 -1.937 1.00 0.00 O ATOM 34 CB ILE A 3 -2.381 -5.297 -5.019 1.00 0.00 C ATOM 35 CG1 ILE A 3 -1.915 -4.115 -5.906 1.00 0.00 C ATOM 36 CG2 ILE A 3 -3.723 -5.857 -5.522 1.00 0.00 C ATOM 37 CD1 ILE A 3 -1.683 -4.466 -7.373 1.00 0.00 C ATOM 0 H ILE A 3 -0.363 -4.893 -3.739 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.119 -3.976 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.675 -6.125 -5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.661 -3.322 -5.851 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.990 -3.712 -5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.619 -6.173 -6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.013 -6.711 -4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.489 -5.084 -5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.360 -3.576 -7.913 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.914 -5.235 -7.446 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.610 -4.838 -7.809 1.00 0.00 H new ATOM 49 N VAL A 4 -4.290 -5.935 -2.413 1.00 0.00 N ATOM 50 CA VAL A 4 -5.004 -6.766 -1.455 1.00 0.00 C ATOM 51 C VAL A 4 -5.986 -7.624 -2.268 1.00 0.00 C ATOM 52 O VAL A 4 -6.245 -7.352 -3.444 1.00 0.00 O ATOM 53 CB VAL A 4 -5.692 -5.837 -0.417 1.00 0.00 C ATOM 54 CG1 VAL A 4 -6.349 -6.586 0.753 1.00 0.00 C ATOM 55 CG2 VAL A 4 -4.722 -4.805 0.192 1.00 0.00 C ATOM 0 H VAL A 4 -4.921 -5.382 -2.993 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.357 -7.434 -0.887 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.465 -5.338 -1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.807 -5.868 1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.114 -7.261 0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.593 -7.161 1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.256 -4.183 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.908 -5.325 0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.315 -4.177 -0.600 1.00 0.00 H new ATOM 65 N LYS A 5 -6.555 -8.659 -1.655 1.00 0.00 N ATOM 66 CA LYS A 5 -7.591 -9.506 -2.239 1.00 0.00 C ATOM 67 C LYS A 5 -8.660 -9.700 -1.177 1.00 0.00 C ATOM 68 O LYS A 5 -8.332 -9.757 0.013 1.00 0.00 O ATOM 69 CB LYS A 5 -6.996 -10.863 -2.656 1.00 0.00 C ATOM 70 CG LYS A 5 -6.280 -10.805 -4.018 1.00 0.00 C ATOM 71 CD LYS A 5 -4.990 -11.633 -4.068 1.00 0.00 C ATOM 72 CE LYS A 5 -3.884 -10.963 -3.237 1.00 0.00 C ATOM 73 NZ LYS A 5 -2.606 -11.716 -3.294 1.00 0.00 N ATOM 0 H LYS A 5 -6.299 -8.940 -0.708 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.014 -9.044 -3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.291 -11.196 -1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.792 -11.606 -2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.960 -11.160 -4.792 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.045 -9.767 -4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.181 -12.636 -3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.661 -11.741 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.722 -9.948 -3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.210 -10.882 -2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.890 -11.228 -2.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.752 -12.676 -2.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.280 -11.772 -4.280 1.00 0.00 H new ATOM 87 N ALA A 6 -9.918 -9.816 -1.595 1.00 0.00 N ATOM 88 CA ALA A 6 -11.035 -10.099 -0.703 1.00 0.00 C ATOM 89 C ALA A 6 -12.062 -10.981 -1.409 1.00 0.00 C ATOM 90 O ALA A 6 -11.995 -11.183 -2.623 1.00 0.00 O ATOM 91 CB ALA A 6 -11.675 -8.784 -0.237 1.00 0.00 C ATOM 0 H ALA A 6 -10.191 -9.715 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.668 -10.636 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.510 -9.002 0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.934 -8.186 0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.037 -8.229 -1.102 1.00 0.00 H new ATOM 97 N THR A 7 -13.038 -11.465 -0.643 1.00 0.00 N ATOM 98 CA THR A 7 -14.215 -12.158 -1.147 1.00 0.00 C ATOM 99 C THR A 7 -15.432 -11.566 -0.428 1.00 0.00 C ATOM 100 O THR A 7 -15.253 -10.760 0.491 1.00 0.00 O ATOM 101 CB THR A 7 -14.071 -13.680 -0.938 1.00 0.00 C ATOM 102 OG1 THR A 7 -13.956 -14.009 0.436 1.00 0.00 O ATOM 103 CG2 THR A 7 -12.877 -14.291 -1.681 1.00 0.00 C ATOM 0 H THR A 7 -13.028 -11.382 0.374 1.00 0.00 H new ATOM 0 HA THR A 7 -14.337 -12.018 -2.221 1.00 0.00 H new ATOM 0 HB THR A 7 -14.985 -14.104 -1.354 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.558 -14.900 0.527 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.838 -15.363 -1.488 1.00 0.00 H new ATOM 0 HG22 THR A 7 -12.988 -14.119 -2.752 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.955 -13.826 -1.332 1.00 0.00 H new ATOM 111 N ASP A 8 -16.657 -11.971 -0.776 1.00 0.00 N ATOM 112 CA ASP A 8 -17.895 -11.469 -0.159 1.00 0.00 C ATOM 113 C ASP A 8 -17.866 -11.502 1.373 1.00 0.00 C ATOM 114 O ASP A 8 -18.487 -10.676 2.042 1.00 0.00 O ATOM 115 CB ASP A 8 -19.105 -12.297 -0.614 1.00 0.00 C ATOM 116 CG ASP A 8 -20.391 -11.507 -0.340 1.00 0.00 C ATOM 117 OD1 ASP A 8 -20.513 -10.388 -0.892 1.00 0.00 O ATOM 118 OD2 ASP A 8 -21.264 -11.996 0.412 1.00 0.00 O ATOM 0 H ASP A 8 -16.822 -12.666 -1.504 1.00 0.00 H new ATOM 0 HA ASP A 8 -17.978 -10.432 -0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.025 -12.526 -1.677 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -19.129 -13.249 -0.084 1.00 0.00 H new ATOM 123 N GLN A 9 -17.115 -12.464 1.914 1.00 0.00 N ATOM 124 CA GLN A 9 -16.905 -12.710 3.329 1.00 0.00 C ATOM 125 C GLN A 9 -16.291 -11.500 4.051 1.00 0.00 C ATOM 126 O GLN A 9 -16.629 -11.268 5.215 1.00 0.00 O ATOM 127 CB GLN A 9 -15.998 -13.948 3.478 1.00 0.00 C ATOM 128 CG GLN A 9 -16.660 -15.306 3.163 1.00 0.00 C ATOM 129 CD GLN A 9 -17.318 -15.437 1.782 1.00 0.00 C ATOM 130 OE1 GLN A 9 -18.515 -15.687 1.678 1.00 0.00 O ATOM 131 NE2 GLN A 9 -16.583 -15.266 0.691 1.00 0.00 N ATOM 0 H GLN A 9 -16.608 -13.131 1.332 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.873 -12.887 3.798 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -15.136 -13.825 2.823 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -15.620 -13.977 4.500 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -15.904 -16.085 3.257 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.417 -15.502 3.923 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -15.588 -15.058 0.774 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -17.013 -15.342 -0.231 1.00 0.00 H new ATOM 140 N SER A 10 -15.419 -10.730 3.385 1.00 0.00 N ATOM 141 CA SER A 10 -14.616 -9.685 4.036 1.00 0.00 C ATOM 142 C SER A 10 -14.407 -8.429 3.185 1.00 0.00 C ATOM 143 O SER A 10 -13.824 -7.461 3.675 1.00 0.00 O ATOM 144 CB SER A 10 -13.254 -10.268 4.454 1.00 0.00 C ATOM 145 OG SER A 10 -13.388 -11.486 5.176 1.00 0.00 O ATOM 0 H SER A 10 -15.251 -10.814 2.382 1.00 0.00 H new ATOM 0 HA SER A 10 -15.185 -9.362 4.908 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.646 -10.440 3.565 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.723 -9.541 5.068 1.00 0.00 H new ATOM 0 HG SER A 10 -12.500 -11.821 5.420 1.00 0.00 H new ATOM 151 N PHE A 11 -14.905 -8.396 1.947 1.00 0.00 N ATOM 152 CA PHE A 11 -14.826 -7.236 1.066 1.00 0.00 C ATOM 153 C PHE A 11 -15.366 -5.983 1.758 1.00 0.00 C ATOM 154 O PHE A 11 -14.788 -4.903 1.621 1.00 0.00 O ATOM 155 CB PHE A 11 -15.605 -7.546 -0.221 1.00 0.00 C ATOM 156 CG PHE A 11 -15.609 -6.428 -1.242 1.00 0.00 C ATOM 157 CD1 PHE A 11 -16.587 -5.415 -1.184 1.00 0.00 C ATOM 158 CD2 PHE A 11 -14.634 -6.400 -2.257 1.00 0.00 C ATOM 159 CE1 PHE A 11 -16.587 -4.383 -2.137 1.00 0.00 C ATOM 160 CE2 PHE A 11 -14.650 -5.381 -3.221 1.00 0.00 C ATOM 161 CZ PHE A 11 -15.631 -4.375 -3.165 1.00 0.00 C ATOM 0 H PHE A 11 -15.383 -9.192 1.524 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.784 -7.033 0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -15.180 -8.438 -0.681 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -16.636 -7.783 0.042 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -17.337 -5.432 -0.407 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.872 -7.165 -2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -17.323 -3.595 -2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.909 -5.369 -4.006 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.649 -3.596 -3.913 1.00 0.00 H new ATOM 171 N SER A 12 -16.441 -6.120 2.536 1.00 0.00 N ATOM 172 CA SER A 12 -17.077 -4.992 3.194 1.00 0.00 C ATOM 173 C SER A 12 -16.179 -4.410 4.287 1.00 0.00 C ATOM 174 O SER A 12 -16.086 -3.190 4.426 1.00 0.00 O ATOM 175 CB SER A 12 -18.436 -5.430 3.756 1.00 0.00 C ATOM 176 OG SER A 12 -19.169 -6.167 2.784 1.00 0.00 O ATOM 0 H SER A 12 -16.890 -7.017 2.723 1.00 0.00 H new ATOM 0 HA SER A 12 -17.239 -4.199 2.464 1.00 0.00 H new ATOM 0 HB2 SER A 12 -18.287 -6.041 4.646 1.00 0.00 H new ATOM 0 HB3 SER A 12 -19.008 -4.554 4.062 1.00 0.00 H new ATOM 0 HG SER A 12 -20.032 -6.439 3.162 1.00 0.00 H new ATOM 182 N ALA A 13 -15.479 -5.266 5.036 1.00 0.00 N ATOM 183 CA ALA A 13 -14.529 -4.831 6.045 1.00 0.00 C ATOM 184 C ALA A 13 -13.339 -4.147 5.372 1.00 0.00 C ATOM 185 O ALA A 13 -12.910 -3.079 5.809 1.00 0.00 O ATOM 186 CB ALA A 13 -14.069 -6.029 6.886 1.00 0.00 C ATOM 0 H ALA A 13 -15.560 -6.279 4.954 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.010 -4.114 6.710 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.357 -5.693 7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.931 -6.481 7.377 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.592 -6.766 6.240 1.00 0.00 H new ATOM 192 N GLU A 14 -12.822 -4.740 4.291 1.00 0.00 N ATOM 193 CA GLU A 14 -11.658 -4.225 3.587 1.00 0.00 C ATOM 194 C GLU A 14 -11.945 -2.849 2.998 1.00 0.00 C ATOM 195 O GLU A 14 -11.114 -1.950 3.120 1.00 0.00 O ATOM 196 CB GLU A 14 -11.220 -5.203 2.484 1.00 0.00 C ATOM 197 CG GLU A 14 -10.462 -6.410 3.055 1.00 0.00 C ATOM 198 CD GLU A 14 -9.100 -6.057 3.689 1.00 0.00 C ATOM 199 OE1 GLU A 14 -8.538 -4.976 3.397 1.00 0.00 O ATOM 200 OE2 GLU A 14 -8.587 -6.870 4.491 1.00 0.00 O ATOM 0 H GLU A 14 -13.205 -5.593 3.884 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.843 -4.124 4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.097 -5.551 1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.585 -4.681 1.768 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.086 -6.895 3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.302 -7.135 2.257 1.00 0.00 H new ATOM 207 N THR A 15 -13.121 -2.645 2.409 1.00 0.00 N ATOM 208 CA THR A 15 -13.467 -1.387 1.764 1.00 0.00 C ATOM 209 C THR A 15 -13.808 -0.274 2.770 1.00 0.00 C ATOM 210 O THR A 15 -14.124 0.844 2.357 1.00 0.00 O ATOM 211 CB THR A 15 -14.550 -1.623 0.699 1.00 0.00 C ATOM 212 OG1 THR A 15 -15.637 -2.382 1.189 1.00 0.00 O ATOM 213 CG2 THR A 15 -13.957 -2.354 -0.514 1.00 0.00 C ATOM 0 H THR A 15 -13.858 -3.348 2.367 1.00 0.00 H new ATOM 0 HA THR A 15 -12.585 -1.010 1.246 1.00 0.00 H new ATOM 0 HB THR A 15 -14.919 -0.638 0.413 1.00 0.00 H new ATOM 0 HG1 THR A 15 -15.444 -3.337 1.081 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.736 -2.514 -1.259 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.159 -1.752 -0.947 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.555 -3.316 -0.198 1.00 0.00 H new ATOM 221 N SER A 16 -13.696 -0.541 4.077 1.00 0.00 N ATOM 222 CA SER A 16 -14.118 0.356 5.149 1.00 0.00 C ATOM 223 C SER A 16 -12.919 0.904 5.935 1.00 0.00 C ATOM 224 O SER A 16 -13.003 1.084 7.151 1.00 0.00 O ATOM 225 CB SER A 16 -15.154 -0.345 6.042 1.00 0.00 C ATOM 226 OG SER A 16 -16.304 -0.709 5.307 1.00 0.00 O ATOM 0 H SER A 16 -13.297 -1.414 4.423 1.00 0.00 H new ATOM 0 HA SER A 16 -14.602 1.228 4.710 1.00 0.00 H new ATOM 0 HB2 SER A 16 -14.709 -1.234 6.489 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.438 0.316 6.861 1.00 0.00 H new ATOM 0 HG SER A 16 -16.095 -1.473 4.730 1.00 0.00 H new ATOM 232 N GLU A 17 -11.801 1.171 5.249 1.00 0.00 N ATOM 233 CA GLU A 17 -10.581 1.683 5.887 1.00 0.00 C ATOM 234 C GLU A 17 -10.001 2.939 5.219 1.00 0.00 C ATOM 235 O GLU A 17 -9.018 3.492 5.717 1.00 0.00 O ATOM 236 CB GLU A 17 -9.510 0.580 5.947 1.00 0.00 C ATOM 237 CG GLU A 17 -9.934 -0.671 6.732 1.00 0.00 C ATOM 238 CD GLU A 17 -8.735 -1.594 7.017 1.00 0.00 C ATOM 239 OE1 GLU A 17 -7.927 -1.850 6.095 1.00 0.00 O ATOM 240 OE2 GLU A 17 -8.597 -2.076 8.165 1.00 0.00 O ATOM 0 H GLU A 17 -11.716 1.039 4.241 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.875 1.983 6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.251 0.286 4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.608 0.990 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.395 -0.372 7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.689 -1.218 6.167 1.00 0.00 H new ATOM 247 N GLY A 18 -10.571 3.409 4.106 1.00 0.00 N ATOM 248 CA GLY A 18 -9.986 4.491 3.322 1.00 0.00 C ATOM 249 C GLY A 18 -10.602 4.520 1.936 1.00 0.00 C ATOM 250 O GLY A 18 -11.664 3.926 1.734 1.00 0.00 O ATOM 0 H GLY A 18 -11.447 3.049 3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.152 5.445 3.823 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.907 4.354 3.247 1.00 0.00 H new ATOM 254 N VAL A 19 -9.968 5.219 0.992 1.00 0.00 N ATOM 255 CA VAL A 19 -10.314 5.081 -0.419 1.00 0.00 C ATOM 256 C VAL A 19 -9.796 3.699 -0.823 1.00 0.00 C ATOM 257 O VAL A 19 -8.656 3.342 -0.506 1.00 0.00 O ATOM 258 CB VAL A 19 -9.691 6.210 -1.267 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.028 6.065 -2.761 1.00 0.00 C ATOM 260 CG2 VAL A 19 -10.208 7.583 -0.814 1.00 0.00 C ATOM 0 H VAL A 19 -9.216 5.882 1.180 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.388 5.165 -0.587 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.613 6.133 -1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.569 6.881 -3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.645 5.113 -3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.109 6.098 -2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.755 8.363 -1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.292 7.618 -0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.945 7.744 0.231 1.00 0.00 H new ATOM 270 N VAL A 20 -10.615 2.918 -1.521 1.00 0.00 N ATOM 271 CA VAL A 20 -10.270 1.569 -1.928 1.00 0.00 C ATOM 272 C VAL A 20 -10.741 1.402 -3.369 1.00 0.00 C ATOM 273 O VAL A 20 -11.906 1.651 -3.681 1.00 0.00 O ATOM 274 CB VAL A 20 -10.880 0.532 -0.958 1.00 0.00 C ATOM 275 CG1 VAL A 20 -10.381 -0.870 -1.318 1.00 0.00 C ATOM 276 CG2 VAL A 20 -10.508 0.815 0.509 1.00 0.00 C ATOM 0 H VAL A 20 -11.545 3.211 -1.821 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.194 1.398 -1.886 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.963 0.601 -1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.814 -1.598 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.679 -1.112 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.294 -0.900 -1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.960 0.059 1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.424 0.786 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.876 1.801 0.794 1.00 0.00 H new ATOM 286 N LEU A 21 -9.823 1.002 -4.249 1.00 0.00 N ATOM 287 CA LEU A 21 -10.127 0.664 -5.629 1.00 0.00 C ATOM 288 C LEU A 21 -10.384 -0.836 -5.665 1.00 0.00 C ATOM 289 O LEU A 21 -9.444 -1.631 -5.659 1.00 0.00 O ATOM 290 CB LEU A 21 -8.951 1.057 -6.538 1.00 0.00 C ATOM 291 CG LEU A 21 -9.181 0.710 -8.021 1.00 0.00 C ATOM 292 CD1 LEU A 21 -10.357 1.493 -8.612 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.919 1.046 -8.818 1.00 0.00 C ATOM 0 H LEU A 21 -8.835 0.904 -4.015 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.001 1.204 -5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.773 2.129 -6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.049 0.554 -6.190 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.410 -0.354 -8.083 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.486 1.220 -9.659 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.266 1.255 -8.060 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.156 2.562 -8.538 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.077 0.802 -9.869 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.700 2.109 -8.721 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.080 0.466 -8.433 1.00 0.00 H new ATOM 305 N ALA A 22 -11.649 -1.235 -5.645 1.00 0.00 N ATOM 306 CA ALA A 22 -11.997 -2.618 -5.896 1.00 0.00 C ATOM 307 C ALA A 22 -11.876 -2.880 -7.397 1.00 0.00 C ATOM 308 O ALA A 22 -12.210 -2.018 -8.214 1.00 0.00 O ATOM 309 CB ALA A 22 -13.413 -2.885 -5.405 1.00 0.00 C ATOM 0 H ALA A 22 -12.443 -0.622 -5.459 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.324 -3.288 -5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.674 -3.926 -5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.471 -2.686 -4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.110 -2.235 -5.933 1.00 0.00 H new ATOM 315 N ASP A 23 -11.453 -4.088 -7.754 1.00 0.00 N ATOM 316 CA ASP A 23 -11.280 -4.540 -9.127 1.00 0.00 C ATOM 317 C ASP A 23 -11.921 -5.915 -9.246 1.00 0.00 C ATOM 318 O ASP A 23 -11.348 -6.929 -8.840 1.00 0.00 O ATOM 319 CB ASP A 23 -9.800 -4.570 -9.518 1.00 0.00 C ATOM 320 CG ASP A 23 -9.605 -5.313 -10.850 1.00 0.00 C ATOM 321 OD1 ASP A 23 -10.303 -4.988 -11.835 1.00 0.00 O ATOM 322 OD2 ASP A 23 -8.730 -6.206 -10.897 1.00 0.00 O ATOM 0 H ASP A 23 -11.213 -4.804 -7.069 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.762 -3.847 -9.816 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.421 -3.552 -9.605 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.222 -5.060 -8.735 1.00 0.00 H new ATOM 327 N PHE A 24 -13.162 -5.916 -9.726 1.00 0.00 N ATOM 328 CA PHE A 24 -13.916 -7.110 -10.051 1.00 0.00 C ATOM 329 C PHE A 24 -13.352 -7.625 -11.369 1.00 0.00 C ATOM 330 O PHE A 24 -13.444 -6.935 -12.391 1.00 0.00 O ATOM 331 CB PHE A 24 -15.415 -6.781 -10.133 1.00 0.00 C ATOM 332 CG PHE A 24 -16.016 -6.405 -8.789 1.00 0.00 C ATOM 333 CD1 PHE A 24 -15.834 -5.109 -8.267 1.00 0.00 C ATOM 334 CD2 PHE A 24 -16.697 -7.372 -8.022 1.00 0.00 C ATOM 335 CE1 PHE A 24 -16.288 -4.797 -6.975 1.00 0.00 C ATOM 336 CE2 PHE A 24 -17.157 -7.055 -6.732 1.00 0.00 C ATOM 337 CZ PHE A 24 -16.935 -5.773 -6.201 1.00 0.00 C ATOM 0 H PHE A 24 -13.681 -5.056 -9.903 1.00 0.00 H new ATOM 0 HA PHE A 24 -13.823 -7.881 -9.286 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -15.563 -5.959 -10.833 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -15.949 -7.642 -10.535 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.344 -4.353 -8.862 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -16.866 -8.359 -8.427 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -16.139 -3.804 -6.576 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.681 -7.797 -6.149 1.00 0.00 H new ATOM 0 HZ PHE A 24 -17.262 -5.539 -5.199 1.00 0.00 H new ATOM 347 N TRP A 25 -12.745 -8.812 -11.344 1.00 0.00 N ATOM 348 CA TRP A 25 -11.992 -9.356 -12.472 1.00 0.00 C ATOM 349 C TRP A 25 -12.294 -10.842 -12.648 1.00 0.00 C ATOM 350 O TRP A 25 -13.015 -11.428 -11.838 1.00 0.00 O ATOM 351 CB TRP A 25 -10.486 -9.104 -12.276 1.00 0.00 C ATOM 352 CG TRP A 25 -9.788 -9.972 -11.271 1.00 0.00 C ATOM 353 CD1 TRP A 25 -10.008 -9.957 -9.940 1.00 0.00 C ATOM 354 CD2 TRP A 25 -8.762 -10.992 -11.486 1.00 0.00 C ATOM 355 NE1 TRP A 25 -9.243 -10.923 -9.323 1.00 0.00 N ATOM 356 CE2 TRP A 25 -8.433 -11.576 -10.224 1.00 0.00 C ATOM 357 CE3 TRP A 25 -8.058 -11.471 -12.614 1.00 0.00 C ATOM 358 CZ2 TRP A 25 -7.465 -12.580 -10.090 1.00 0.00 C ATOM 359 CZ3 TRP A 25 -7.074 -12.471 -12.486 1.00 0.00 C ATOM 360 CH2 TRP A 25 -6.785 -13.034 -11.231 1.00 0.00 C ATOM 0 H TRP A 25 -12.763 -9.428 -10.531 1.00 0.00 H new ATOM 0 HA TRP A 25 -12.301 -8.847 -13.385 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.991 -9.230 -13.239 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -10.350 -8.063 -11.982 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -10.685 -9.286 -9.432 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -9.273 -11.128 -8.324 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -8.278 -11.064 -13.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -7.244 -13.000 -9.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -6.537 -12.808 -13.360 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.042 -13.813 -11.145 1.00 0.00 H new ATOM 371 N ALA A 26 -11.739 -11.450 -13.699 1.00 0.00 N ATOM 372 CA ALA A 26 -11.723 -12.891 -13.905 1.00 0.00 C ATOM 373 C ALA A 26 -10.454 -13.222 -14.701 1.00 0.00 C ATOM 374 O ALA A 26 -10.083 -12.437 -15.580 1.00 0.00 O ATOM 375 CB ALA A 26 -12.970 -13.341 -14.673 1.00 0.00 C ATOM 0 H ALA A 26 -11.277 -10.935 -14.448 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.725 -13.414 -12.949 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.939 -14.421 -14.817 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.862 -13.076 -14.106 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.997 -12.847 -15.644 1.00 0.00 H new ATOM 381 N PRO A 27 -9.785 -14.358 -14.446 1.00 0.00 N ATOM 382 CA PRO A 27 -8.467 -14.630 -15.008 1.00 0.00 C ATOM 383 C PRO A 27 -8.498 -14.932 -16.509 1.00 0.00 C ATOM 384 O PRO A 27 -7.491 -14.735 -17.186 1.00 0.00 O ATOM 385 CB PRO A 27 -7.916 -15.808 -14.196 1.00 0.00 C ATOM 386 CG PRO A 27 -9.168 -16.534 -13.707 1.00 0.00 C ATOM 387 CD PRO A 27 -10.179 -15.404 -13.514 1.00 0.00 C ATOM 0 HA PRO A 27 -7.829 -13.749 -14.934 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.291 -16.458 -14.808 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.301 -15.467 -13.363 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.518 -17.266 -14.434 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.984 -17.072 -12.777 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.193 -15.747 -13.717 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.166 -15.038 -12.487 1.00 0.00 H new ATOM 395 N TRP A 28 -9.633 -15.389 -17.047 1.00 0.00 N ATOM 396 CA TRP A 28 -9.779 -15.684 -18.470 1.00 0.00 C ATOM 397 C TRP A 28 -10.058 -14.425 -19.306 1.00 0.00 C ATOM 398 O TRP A 28 -10.063 -14.501 -20.535 1.00 0.00 O ATOM 399 CB TRP A 28 -10.863 -16.760 -18.646 1.00 0.00 C ATOM 400 CG TRP A 28 -12.119 -16.646 -17.823 1.00 0.00 C ATOM 401 CD1 TRP A 28 -12.848 -15.525 -17.616 1.00 0.00 C ATOM 402 CD2 TRP A 28 -12.814 -17.701 -17.085 1.00 0.00 C ATOM 403 NE1 TRP A 28 -13.949 -15.815 -16.837 1.00 0.00 N ATOM 404 CE2 TRP A 28 -13.970 -17.140 -16.462 1.00 0.00 C ATOM 405 CE3 TRP A 28 -12.582 -19.078 -16.874 1.00 0.00 C ATOM 406 CZ2 TRP A 28 -14.846 -17.904 -15.675 1.00 0.00 C ATOM 407 CZ3 TRP A 28 -13.454 -19.855 -16.087 1.00 0.00 C ATOM 408 CH2 TRP A 28 -14.584 -19.270 -15.488 1.00 0.00 C ATOM 0 H TRP A 28 -10.478 -15.564 -16.503 1.00 0.00 H new ATOM 0 HA TRP A 28 -8.833 -16.070 -18.850 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -11.153 -16.771 -19.697 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -10.410 -17.728 -18.430 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -12.604 -14.547 -18.004 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -14.659 -15.133 -16.572 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -11.719 -19.544 -17.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -15.711 -17.446 -15.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -13.254 -20.906 -15.943 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -15.249 -19.871 -14.885 1.00 0.00 H new ATOM 419 N CYS A 29 -10.305 -13.272 -18.671 1.00 0.00 N ATOM 420 CA CYS A 29 -10.613 -12.032 -19.368 1.00 0.00 C ATOM 421 C CYS A 29 -9.295 -11.354 -19.758 1.00 0.00 C ATOM 422 O CYS A 29 -8.540 -10.925 -18.883 1.00 0.00 O ATOM 423 CB CYS A 29 -11.465 -11.152 -18.446 1.00 0.00 C ATOM 424 SG CYS A 29 -11.888 -9.586 -19.261 1.00 0.00 S ATOM 0 H CYS A 29 -10.295 -13.180 -17.655 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.182 -12.213 -20.280 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.377 -11.682 -18.171 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.922 -10.952 -17.523 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.168 -9.378 -19.164 1.00 0.00 H new ATOM 430 N GLY A 30 -9.034 -11.228 -21.063 1.00 0.00 N ATOM 431 CA GLY A 30 -7.861 -10.539 -21.595 1.00 0.00 C ATOM 432 C GLY A 30 -7.709 -9.127 -21.022 1.00 0.00 C ATOM 433 O GLY A 30 -6.682 -8.847 -20.408 1.00 0.00 O ATOM 0 H GLY A 30 -9.643 -11.609 -21.788 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.967 -11.119 -21.368 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.937 -10.482 -22.681 1.00 0.00 H new ATOM 437 N PRO A 31 -8.711 -8.237 -21.138 1.00 0.00 N ATOM 438 CA PRO A 31 -8.677 -6.914 -20.523 1.00 0.00 C ATOM 439 C PRO A 31 -8.340 -6.898 -19.021 1.00 0.00 C ATOM 440 O PRO A 31 -7.630 -5.994 -18.582 1.00 0.00 O ATOM 441 CB PRO A 31 -10.040 -6.295 -20.831 1.00 0.00 C ATOM 442 CG PRO A 31 -10.401 -6.922 -22.177 1.00 0.00 C ATOM 443 CD PRO A 31 -9.835 -8.337 -22.059 1.00 0.00 C ATOM 0 HA PRO A 31 -7.854 -6.333 -20.940 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.776 -6.534 -20.063 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.986 -5.208 -20.893 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.478 -6.931 -22.342 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.955 -6.377 -23.009 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.588 -9.030 -21.684 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.513 -8.712 -23.030 1.00 0.00 H new ATOM 451 N CYS A 32 -8.776 -7.889 -18.228 1.00 0.00 N ATOM 452 CA CYS A 32 -8.349 -7.994 -16.829 1.00 0.00 C ATOM 453 C CYS A 32 -6.835 -8.227 -16.721 1.00 0.00 C ATOM 454 O CYS A 32 -6.185 -7.626 -15.865 1.00 0.00 O ATOM 455 CB CYS A 32 -9.089 -9.112 -16.079 1.00 0.00 C ATOM 456 SG CYS A 32 -10.863 -8.757 -15.930 1.00 0.00 S ATOM 0 H CYS A 32 -9.418 -8.622 -18.530 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.600 -7.041 -16.363 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.949 -10.057 -16.604 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.657 -9.232 -15.086 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.432 -8.893 -17.091 1.00 0.00 H new ATOM 462 N LYS A 33 -6.244 -9.058 -17.589 1.00 0.00 N ATOM 463 CA LYS A 33 -4.788 -9.212 -17.632 1.00 0.00 C ATOM 464 C LYS A 33 -4.131 -7.900 -18.059 1.00 0.00 C ATOM 465 O LYS A 33 -3.102 -7.532 -17.499 1.00 0.00 O ATOM 466 CB LYS A 33 -4.354 -10.341 -18.582 1.00 0.00 C ATOM 467 CG LYS A 33 -4.913 -11.718 -18.197 1.00 0.00 C ATOM 468 CD LYS A 33 -4.366 -12.792 -19.148 1.00 0.00 C ATOM 469 CE LYS A 33 -4.938 -14.167 -18.786 1.00 0.00 C ATOM 470 NZ LYS A 33 -4.399 -15.249 -19.647 1.00 0.00 N ATOM 0 H LYS A 33 -6.749 -9.630 -18.266 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.461 -9.478 -16.627 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.677 -10.097 -19.594 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.265 -10.392 -18.599 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.638 -11.957 -17.169 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.002 -11.703 -18.241 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.626 -12.542 -20.177 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.278 -12.817 -19.091 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.711 -14.389 -17.743 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.024 -14.141 -18.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.816 -16.159 -19.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.638 -15.054 -20.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.365 -15.294 -19.542 1.00 0.00 H new ATOM 484 N MET A 34 -4.717 -7.181 -19.021 1.00 0.00 N ATOM 485 CA MET A 34 -4.151 -5.941 -19.547 1.00 0.00 C ATOM 486 C MET A 34 -4.126 -4.846 -18.480 1.00 0.00 C ATOM 487 O MET A 34 -3.159 -4.088 -18.422 1.00 0.00 O ATOM 488 CB MET A 34 -4.936 -5.453 -20.774 1.00 0.00 C ATOM 489 CG MET A 34 -4.843 -6.428 -21.951 1.00 0.00 C ATOM 490 SD MET A 34 -5.964 -6.033 -23.322 1.00 0.00 S ATOM 491 CE MET A 34 -5.683 -7.491 -24.363 1.00 0.00 C ATOM 0 H MET A 34 -5.600 -7.446 -19.457 1.00 0.00 H new ATOM 0 HA MET A 34 -3.126 -6.156 -19.848 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.982 -5.315 -20.501 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.556 -4.479 -21.082 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.818 -6.437 -22.323 1.00 0.00 H new ATOM 0 HG3 MET A 34 -5.061 -7.435 -21.595 1.00 0.00 H new ATOM 0 HE1 MET A 34 -6.296 -7.420 -25.261 1.00 0.00 H new ATOM 0 HE2 MET A 34 -4.631 -7.540 -24.645 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.952 -8.391 -23.810 1.00 0.00 H new ATOM 501 N ILE A 35 -5.158 -4.746 -17.634 1.00 0.00 N ATOM 502 CA ILE A 35 -5.212 -3.709 -16.603 1.00 0.00 C ATOM 503 C ILE A 35 -4.366 -4.088 -15.375 1.00 0.00 C ATOM 504 O ILE A 35 -4.000 -3.202 -14.607 1.00 0.00 O ATOM 505 CB ILE A 35 -6.682 -3.339 -16.282 1.00 0.00 C ATOM 506 CG1 ILE A 35 -6.763 -1.915 -15.690 1.00 0.00 C ATOM 507 CG2 ILE A 35 -7.381 -4.378 -15.391 1.00 0.00 C ATOM 508 CD1 ILE A 35 -8.196 -1.427 -15.456 1.00 0.00 C ATOM 0 H ILE A 35 -5.964 -5.370 -17.645 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.752 -2.798 -16.985 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.232 -3.348 -17.223 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.222 -1.893 -14.744 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.258 -1.222 -16.363 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.407 -4.063 -15.201 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.385 -5.345 -15.894 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.847 -4.464 -14.445 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.174 -0.420 -15.039 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.736 -1.416 -16.403 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.699 -2.097 -14.759 1.00 0.00 H new ATOM 520 N ALA A 36 -4.009 -5.365 -15.180 1.00 0.00 N ATOM 521 CA ALA A 36 -3.211 -5.794 -14.031 1.00 0.00 C ATOM 522 C ALA A 36 -1.906 -4.988 -13.850 1.00 0.00 C ATOM 523 O ALA A 36 -1.700 -4.472 -12.749 1.00 0.00 O ATOM 524 CB ALA A 36 -2.960 -7.306 -14.081 1.00 0.00 C ATOM 0 H ALA A 36 -4.265 -6.123 -15.812 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.800 -5.577 -13.140 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.365 -7.605 -13.218 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.914 -7.834 -14.065 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.423 -7.556 -14.996 1.00 0.00 H new ATOM 530 N PRO A 37 -1.044 -4.786 -14.872 1.00 0.00 N ATOM 531 CA PRO A 37 0.144 -3.958 -14.707 1.00 0.00 C ATOM 532 C PRO A 37 -0.200 -2.487 -14.448 1.00 0.00 C ATOM 533 O PRO A 37 0.538 -1.824 -13.722 1.00 0.00 O ATOM 534 CB PRO A 37 0.980 -4.144 -15.978 1.00 0.00 C ATOM 535 CG PRO A 37 -0.041 -4.596 -17.019 1.00 0.00 C ATOM 536 CD PRO A 37 -1.035 -5.404 -16.188 1.00 0.00 C ATOM 0 HA PRO A 37 0.707 -4.266 -13.826 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.470 -3.217 -16.274 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.764 -4.888 -15.836 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.519 -3.749 -17.511 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.419 -5.201 -17.801 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.028 -5.383 -16.637 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.735 -6.450 -16.127 1.00 0.00 H new ATOM 544 N VAL A 38 -1.317 -1.970 -14.976 1.00 0.00 N ATOM 545 CA VAL A 38 -1.766 -0.617 -14.665 1.00 0.00 C ATOM 546 C VAL A 38 -2.056 -0.521 -13.164 1.00 0.00 C ATOM 547 O VAL A 38 -1.628 0.437 -12.527 1.00 0.00 O ATOM 548 CB VAL A 38 -2.990 -0.205 -15.514 1.00 0.00 C ATOM 549 CG1 VAL A 38 -3.341 1.270 -15.280 1.00 0.00 C ATOM 550 CG2 VAL A 38 -2.745 -0.413 -17.017 1.00 0.00 C ATOM 0 H VAL A 38 -1.924 -2.474 -15.622 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.974 0.087 -14.921 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.815 -0.844 -15.199 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.205 1.539 -15.887 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.575 1.426 -14.227 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.493 1.895 -15.560 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.631 -0.111 -17.575 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.893 0.189 -17.334 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.537 -1.465 -17.209 1.00 0.00 H new ATOM 560 N LEU A 39 -2.739 -1.515 -12.583 1.00 0.00 N ATOM 561 CA LEU A 39 -3.030 -1.546 -11.156 1.00 0.00 C ATOM 562 C LEU A 39 -1.737 -1.655 -10.347 1.00 0.00 C ATOM 563 O LEU A 39 -1.628 -1.001 -9.315 1.00 0.00 O ATOM 564 CB LEU A 39 -3.999 -2.691 -10.809 1.00 0.00 C ATOM 565 CG LEU A 39 -5.405 -2.545 -11.426 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.214 -3.823 -11.195 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.187 -1.359 -10.849 1.00 0.00 C ATOM 0 H LEU A 39 -3.103 -2.318 -13.095 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.521 -0.610 -10.890 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.564 -3.633 -11.144 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.096 -2.753 -9.725 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.259 -2.365 -12.491 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.205 -3.710 -11.634 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.704 -4.666 -11.662 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.310 -4.004 -10.124 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.168 -1.306 -11.321 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.308 -1.491 -9.774 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.642 -0.435 -11.042 1.00 0.00 H new ATOM 579 N GLU A 40 -0.742 -2.423 -10.800 1.00 0.00 N ATOM 580 CA GLU A 40 0.549 -2.493 -10.115 1.00 0.00 C ATOM 581 C GLU A 40 1.277 -1.144 -10.146 1.00 0.00 C ATOM 582 O GLU A 40 1.879 -0.740 -9.149 1.00 0.00 O ATOM 583 CB GLU A 40 1.430 -3.606 -10.706 1.00 0.00 C ATOM 584 CG GLU A 40 0.917 -5.005 -10.334 1.00 0.00 C ATOM 585 CD GLU A 40 1.843 -6.107 -10.875 1.00 0.00 C ATOM 586 OE1 GLU A 40 2.804 -6.497 -10.171 1.00 0.00 O ATOM 587 OE2 GLU A 40 1.615 -6.614 -11.997 1.00 0.00 O ATOM 0 H GLU A 40 -0.807 -3.003 -11.636 1.00 0.00 H new ATOM 0 HA GLU A 40 0.351 -2.737 -9.071 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.459 -3.507 -11.791 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.453 -3.488 -10.348 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.843 -5.090 -9.250 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.087 -5.144 -10.734 1.00 0.00 H new ATOM 594 N GLU A 41 1.236 -0.423 -11.266 1.00 0.00 N ATOM 595 CA GLU A 41 1.838 0.900 -11.367 1.00 0.00 C ATOM 596 C GLU A 41 1.055 1.917 -10.528 1.00 0.00 C ATOM 597 O GLU A 41 1.655 2.801 -9.917 1.00 0.00 O ATOM 598 CB GLU A 41 1.941 1.343 -12.833 1.00 0.00 C ATOM 599 CG GLU A 41 3.033 0.574 -13.592 1.00 0.00 C ATOM 600 CD GLU A 41 3.185 1.086 -15.036 1.00 0.00 C ATOM 601 OE1 GLU A 41 3.964 2.040 -15.263 1.00 0.00 O ATOM 602 OE2 GLU A 41 2.552 0.531 -15.962 1.00 0.00 O ATOM 0 H GLU A 41 0.786 -0.741 -12.124 1.00 0.00 H new ATOM 0 HA GLU A 41 2.851 0.848 -10.967 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.981 1.190 -13.326 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.154 2.411 -12.875 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.983 0.676 -13.067 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.789 -0.488 -13.605 1.00 0.00 H new ATOM 609 N LEU A 42 -0.271 1.784 -10.451 1.00 0.00 N ATOM 610 CA LEU A 42 -1.115 2.632 -9.623 1.00 0.00 C ATOM 611 C LEU A 42 -0.827 2.386 -8.142 1.00 0.00 C ATOM 612 O LEU A 42 -0.769 3.332 -7.361 1.00 0.00 O ATOM 613 CB LEU A 42 -2.596 2.354 -9.929 1.00 0.00 C ATOM 614 CG LEU A 42 -3.510 3.457 -9.369 1.00 0.00 C ATOM 615 CD1 LEU A 42 -3.574 4.654 -10.323 1.00 0.00 C ATOM 616 CD2 LEU A 42 -4.915 2.904 -9.127 1.00 0.00 C ATOM 0 H LEU A 42 -0.790 1.075 -10.970 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.895 3.675 -9.850 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.737 2.278 -11.007 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.882 1.393 -9.501 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.091 3.797 -8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.227 5.419 -9.903 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.574 5.065 -10.459 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.967 4.331 -11.287 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.553 3.693 -8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.330 2.540 -10.067 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.865 2.084 -8.411 1.00 0.00 H new ATOM 628 N ASP A 43 -0.611 1.130 -7.748 1.00 0.00 N ATOM 629 CA ASP A 43 -0.249 0.759 -6.386 1.00 0.00 C ATOM 630 C ASP A 43 1.114 1.349 -6.027 1.00 0.00 C ATOM 631 O ASP A 43 1.278 1.924 -4.955 1.00 0.00 O ATOM 632 CB ASP A 43 -0.226 -0.762 -6.231 1.00 0.00 C ATOM 633 CG ASP A 43 0.258 -1.156 -4.829 1.00 0.00 C ATOM 634 OD1 ASP A 43 -0.515 -0.977 -3.863 1.00 0.00 O ATOM 635 OD2 ASP A 43 1.393 -1.666 -4.708 1.00 0.00 O ATOM 0 H ASP A 43 -0.685 0.332 -8.379 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.999 1.162 -5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.224 -1.165 -6.404 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.429 -1.200 -6.984 1.00 0.00 H new ATOM 640 N GLN A 44 2.081 1.294 -6.948 1.00 0.00 N ATOM 641 CA GLN A 44 3.372 1.945 -6.761 1.00 0.00 C ATOM 642 C GLN A 44 3.239 3.470 -6.617 1.00 0.00 C ATOM 643 O GLN A 44 4.041 4.088 -5.914 1.00 0.00 O ATOM 644 CB GLN A 44 4.304 1.561 -7.918 1.00 0.00 C ATOM 645 CG GLN A 44 4.828 0.126 -7.758 1.00 0.00 C ATOM 646 CD GLN A 44 5.465 -0.386 -9.048 1.00 0.00 C ATOM 647 OE1 GLN A 44 6.668 -0.265 -9.269 1.00 0.00 O ATOM 648 NE2 GLN A 44 4.664 -0.962 -9.929 1.00 0.00 N ATOM 0 H GLN A 44 1.988 0.800 -7.836 1.00 0.00 H new ATOM 0 HA GLN A 44 3.805 1.594 -5.824 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.770 1.652 -8.864 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.144 2.255 -7.958 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.561 0.093 -6.952 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.008 -0.532 -7.470 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.668 -1.054 -9.729 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.042 -1.314 -10.808 1.00 0.00 H new ATOM 657 N GLU A 45 2.241 4.083 -7.258 1.00 0.00 N ATOM 658 CA GLU A 45 2.053 5.530 -7.272 1.00 0.00 C ATOM 659 C GLU A 45 1.273 6.034 -6.046 1.00 0.00 C ATOM 660 O GLU A 45 1.622 7.077 -5.492 1.00 0.00 O ATOM 661 CB GLU A 45 1.315 5.903 -8.570 1.00 0.00 C ATOM 662 CG GLU A 45 1.253 7.411 -8.846 1.00 0.00 C ATOM 663 CD GLU A 45 2.640 8.011 -9.135 1.00 0.00 C ATOM 664 OE1 GLU A 45 3.216 7.690 -10.198 1.00 0.00 O ATOM 665 OE2 GLU A 45 3.151 8.810 -8.319 1.00 0.00 O ATOM 0 H GLU A 45 1.532 3.578 -7.789 1.00 0.00 H new ATOM 0 HA GLU A 45 3.031 6.010 -7.230 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.807 5.411 -9.409 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.299 5.511 -8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.596 7.596 -9.696 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.813 7.917 -7.987 1.00 0.00 H new ATOM 672 N MET A 46 0.231 5.313 -5.607 1.00 0.00 N ATOM 673 CA MET A 46 -0.744 5.808 -4.628 1.00 0.00 C ATOM 674 C MET A 46 -1.147 4.772 -3.568 1.00 0.00 C ATOM 675 O MET A 46 -2.017 5.073 -2.749 1.00 0.00 O ATOM 676 CB MET A 46 -2.011 6.289 -5.367 1.00 0.00 C ATOM 677 CG MET A 46 -1.774 7.435 -6.354 1.00 0.00 C ATOM 678 SD MET A 46 -3.307 8.179 -6.978 1.00 0.00 S ATOM 679 CE MET A 46 -2.648 9.709 -7.693 1.00 0.00 C ATOM 0 H MET A 46 0.041 4.363 -5.925 1.00 0.00 H new ATOM 0 HA MET A 46 -0.255 6.625 -4.096 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.444 5.446 -5.906 1.00 0.00 H new ATOM 0 HB3 MET A 46 -2.747 6.608 -4.629 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.177 8.206 -5.867 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.190 7.064 -7.196 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.436 10.221 -8.246 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.285 10.357 -6.895 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.827 9.471 -8.369 1.00 0.00 H new ATOM 689 N GLY A 47 -0.540 3.581 -3.557 1.00 0.00 N ATOM 690 CA GLY A 47 -0.937 2.408 -2.774 1.00 0.00 C ATOM 691 C GLY A 47 -0.691 2.500 -1.263 1.00 0.00 C ATOM 692 O GLY A 47 -0.269 1.521 -0.647 1.00 0.00 O ATOM 0 H GLY A 47 0.287 3.400 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.999 2.226 -2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.401 1.540 -3.158 1.00 0.00 H new ATOM 696 N ASP A 48 -0.918 3.668 -0.669 1.00 0.00 N ATOM 697 CA ASP A 48 -0.954 3.899 0.766 1.00 0.00 C ATOM 698 C ASP A 48 -2.079 4.884 1.095 1.00 0.00 C ATOM 699 O ASP A 48 -2.861 4.632 2.012 1.00 0.00 O ATOM 700 CB ASP A 48 0.390 4.434 1.268 1.00 0.00 C ATOM 701 CG ASP A 48 0.310 4.783 2.763 1.00 0.00 C ATOM 702 OD1 ASP A 48 0.332 3.860 3.607 1.00 0.00 O ATOM 703 OD2 ASP A 48 0.241 5.985 3.104 1.00 0.00 O ATOM 0 H ASP A 48 -1.090 4.519 -1.205 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.145 2.952 1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.168 3.688 1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.671 5.319 0.697 1.00 0.00 H new ATOM 708 N LYS A 49 -2.224 5.963 0.308 1.00 0.00 N ATOM 709 CA LYS A 49 -3.382 6.854 0.397 1.00 0.00 C ATOM 710 C LYS A 49 -4.663 6.180 -0.114 1.00 0.00 C ATOM 711 O LYS A 49 -5.754 6.566 0.306 1.00 0.00 O ATOM 712 CB LYS A 49 -3.089 8.231 -0.221 1.00 0.00 C ATOM 713 CG LYS A 49 -2.605 8.249 -1.680 1.00 0.00 C ATOM 714 CD LYS A 49 -2.104 9.661 -2.024 1.00 0.00 C ATOM 715 CE LYS A 49 -1.604 9.757 -3.472 1.00 0.00 C ATOM 716 NZ LYS A 49 -1.061 11.107 -3.780 1.00 0.00 N ATOM 0 H LYS A 49 -1.544 6.237 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.577 7.055 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.996 8.832 -0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.336 8.725 0.393 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.806 7.521 -1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.417 7.964 -2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.910 10.379 -1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.298 9.936 -1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.831 9.007 -3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.422 9.530 -4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.733 11.133 -4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.806 11.820 -3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.264 11.314 -3.145 1.00 0.00 H new ATOM 730 N LEU A 50 -4.544 5.153 -0.960 1.00 0.00 N ATOM 731 CA LEU A 50 -5.603 4.221 -1.314 1.00 0.00 C ATOM 732 C LEU A 50 -4.994 2.821 -1.314 1.00 0.00 C ATOM 733 O LEU A 50 -3.773 2.682 -1.377 1.00 0.00 O ATOM 734 CB LEU A 50 -6.293 4.599 -2.646 1.00 0.00 C ATOM 735 CG LEU A 50 -6.041 3.724 -3.902 1.00 0.00 C ATOM 736 CD1 LEU A 50 -7.151 3.967 -4.926 1.00 0.00 C ATOM 737 CD2 LEU A 50 -4.685 4.015 -4.542 1.00 0.00 C ATOM 0 H LEU A 50 -3.665 4.945 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.410 4.259 -0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.368 4.614 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.997 5.619 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.041 2.681 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.973 3.352 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.114 3.704 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.158 5.019 -5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.552 3.379 -5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.642 5.062 -4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.892 3.812 -3.822 1.00 0.00 H new ATOM 749 N LYS A 51 -5.825 1.781 -1.282 1.00 0.00 N ATOM 750 CA LYS A 51 -5.403 0.405 -1.517 1.00 0.00 C ATOM 751 C LYS A 51 -6.245 -0.189 -2.638 1.00 0.00 C ATOM 752 O LYS A 51 -7.328 0.324 -2.932 1.00 0.00 O ATOM 753 CB LYS A 51 -5.453 -0.380 -0.201 1.00 0.00 C ATOM 754 CG LYS A 51 -6.856 -0.655 0.338 1.00 0.00 C ATOM 755 CD LYS A 51 -6.806 -1.315 1.722 1.00 0.00 C ATOM 756 CE LYS A 51 -8.245 -1.448 2.214 1.00 0.00 C ATOM 757 NZ LYS A 51 -8.385 -2.257 3.442 1.00 0.00 N ATOM 0 H LYS A 51 -6.822 1.873 -1.090 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.367 0.356 -1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.943 -1.333 -0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.892 0.171 0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.413 0.280 0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.393 -1.302 -0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.328 -2.293 1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.217 -0.713 2.414 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.649 -0.453 2.398 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.849 -1.896 1.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.380 -2.261 3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.077 -3.232 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.796 -1.849 4.196 1.00 0.00 H new ATOM 771 N ILE A 52 -5.762 -1.255 -3.267 1.00 0.00 N ATOM 772 CA ILE A 52 -6.442 -1.913 -4.376 1.00 0.00 C ATOM 773 C ILE A 52 -6.873 -3.274 -3.840 1.00 0.00 C ATOM 774 O ILE A 52 -6.078 -3.917 -3.157 1.00 0.00 O ATOM 775 CB ILE A 52 -5.504 -2.014 -5.608 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.955 -0.612 -5.980 1.00 0.00 C ATOM 777 CG2 ILE A 52 -6.207 -2.705 -6.797 1.00 0.00 C ATOM 778 CD1 ILE A 52 -4.141 -0.556 -7.273 1.00 0.00 C ATOM 0 H ILE A 52 -4.875 -1.692 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.310 -1.355 -4.727 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.653 -2.643 -5.348 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.794 0.078 -6.067 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.332 -0.254 -5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.522 -2.759 -7.643 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.506 -3.712 -6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.090 -2.132 -7.081 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.802 0.465 -7.446 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.277 -1.215 -7.188 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.763 -0.878 -8.108 1.00 0.00 H new ATOM 790 N VAL A 53 -8.090 -3.725 -4.147 1.00 0.00 N ATOM 791 CA VAL A 53 -8.611 -5.013 -3.694 1.00 0.00 C ATOM 792 C VAL A 53 -9.096 -5.761 -4.935 1.00 0.00 C ATOM 793 O VAL A 53 -10.095 -5.380 -5.548 1.00 0.00 O ATOM 794 CB VAL A 53 -9.742 -4.827 -2.653 1.00 0.00 C ATOM 795 CG1 VAL A 53 -10.347 -6.164 -2.201 1.00 0.00 C ATOM 796 CG2 VAL A 53 -9.278 -4.093 -1.386 1.00 0.00 C ATOM 0 H VAL A 53 -8.748 -3.200 -4.723 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.835 -5.588 -3.189 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.488 -4.228 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.135 -5.979 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.765 -6.684 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.570 -6.780 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.116 -3.994 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.479 -4.661 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.909 -3.103 -1.654 1.00 0.00 H new ATOM 806 N LYS A 54 -8.387 -6.818 -5.326 1.00 0.00 N ATOM 807 CA LYS A 54 -8.847 -7.708 -6.389 1.00 0.00 C ATOM 808 C LYS A 54 -9.981 -8.566 -5.828 1.00 0.00 C ATOM 809 O LYS A 54 -9.916 -8.982 -4.667 1.00 0.00 O ATOM 810 CB LYS A 54 -7.696 -8.603 -6.889 1.00 0.00 C ATOM 811 CG LYS A 54 -6.337 -7.907 -7.090 1.00 0.00 C ATOM 812 CD LYS A 54 -6.330 -6.752 -8.106 1.00 0.00 C ATOM 813 CE LYS A 54 -5.779 -7.161 -9.479 1.00 0.00 C ATOM 814 NZ LYS A 54 -6.739 -7.955 -10.286 1.00 0.00 N ATOM 0 H LYS A 54 -7.488 -7.079 -4.921 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.199 -7.121 -7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.562 -9.419 -6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.996 -9.051 -7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.999 -7.523 -6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.610 -8.653 -7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.346 -6.376 -8.226 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.731 -5.932 -7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.504 -6.264 -10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.867 -7.741 -9.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.395 -8.026 -11.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.828 -8.909 -9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.668 -7.488 -10.279 1.00 0.00 H new ATOM 828 N ILE A 55 -10.979 -8.890 -6.650 1.00 0.00 N ATOM 829 CA ILE A 55 -12.048 -9.813 -6.287 1.00 0.00 C ATOM 830 C ILE A 55 -12.503 -10.546 -7.561 1.00 0.00 C ATOM 831 O ILE A 55 -12.913 -9.928 -8.546 1.00 0.00 O ATOM 832 CB ILE A 55 -13.149 -9.062 -5.493 1.00 0.00 C ATOM 833 CG1 ILE A 55 -14.285 -10.032 -5.109 1.00 0.00 C ATOM 834 CG2 ILE A 55 -13.681 -7.798 -6.195 1.00 0.00 C ATOM 835 CD1 ILE A 55 -15.209 -9.500 -4.006 1.00 0.00 C ATOM 0 H ILE A 55 -11.067 -8.515 -7.594 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.717 -10.592 -5.600 1.00 0.00 H new ATOM 0 HB ILE A 55 -12.678 -8.691 -4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -14.881 -10.248 -5.996 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.849 -10.975 -4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -14.447 -7.332 -5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.862 -7.095 -6.349 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -14.111 -8.071 -7.159 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -15.982 -10.238 -3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -14.627 -9.311 -3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -15.675 -8.572 -4.338 1.00 0.00 H new ATOM 847 N ASP A 56 -12.337 -11.871 -7.579 1.00 0.00 N ATOM 848 CA ASP A 56 -12.650 -12.706 -8.741 1.00 0.00 C ATOM 849 C ASP A 56 -14.152 -12.982 -8.762 1.00 0.00 C ATOM 850 O ASP A 56 -14.672 -13.605 -7.830 1.00 0.00 O ATOM 851 CB ASP A 56 -11.860 -14.021 -8.675 1.00 0.00 C ATOM 852 CG ASP A 56 -12.128 -14.973 -9.860 1.00 0.00 C ATOM 853 OD1 ASP A 56 -12.945 -14.660 -10.754 1.00 0.00 O ATOM 854 OD2 ASP A 56 -11.484 -16.046 -9.893 1.00 0.00 O ATOM 0 H ASP A 56 -11.979 -12.398 -6.782 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.366 -12.186 -9.656 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.795 -13.792 -8.640 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.107 -14.535 -7.746 1.00 0.00 H new ATOM 859 N VAL A 57 -14.865 -12.514 -9.787 1.00 0.00 N ATOM 860 CA VAL A 57 -16.315 -12.681 -9.882 1.00 0.00 C ATOM 861 C VAL A 57 -16.721 -14.158 -9.942 1.00 0.00 C ATOM 862 O VAL A 57 -17.812 -14.497 -9.485 1.00 0.00 O ATOM 863 CB VAL A 57 -16.902 -11.878 -11.062 1.00 0.00 C ATOM 864 CG1 VAL A 57 -16.594 -10.382 -10.905 1.00 0.00 C ATOM 865 CG2 VAL A 57 -16.426 -12.356 -12.444 1.00 0.00 C ATOM 0 H VAL A 57 -14.455 -12.010 -10.573 1.00 0.00 H new ATOM 0 HA VAL A 57 -16.744 -12.273 -8.967 1.00 0.00 H new ATOM 0 HB VAL A 57 -17.978 -12.051 -11.024 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.016 -9.833 -11.747 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.032 -10.016 -9.977 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -15.514 -10.233 -10.880 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -16.883 -11.741 -13.219 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.341 -12.269 -12.505 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -16.716 -13.397 -12.589 1.00 0.00 H new ATOM 875 N ASP A 58 -15.848 -15.046 -10.433 1.00 0.00 N ATOM 876 CA ASP A 58 -16.122 -16.481 -10.555 1.00 0.00 C ATOM 877 C ASP A 58 -16.101 -17.192 -9.190 1.00 0.00 C ATOM 878 O ASP A 58 -16.317 -18.402 -9.109 1.00 0.00 O ATOM 879 CB ASP A 58 -15.132 -17.125 -11.537 1.00 0.00 C ATOM 880 CG ASP A 58 -15.508 -18.579 -11.876 1.00 0.00 C ATOM 881 OD1 ASP A 58 -16.631 -18.816 -12.379 1.00 0.00 O ATOM 882 OD2 ASP A 58 -14.665 -19.487 -11.694 1.00 0.00 O ATOM 0 H ASP A 58 -14.919 -14.783 -10.761 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.131 -16.598 -10.950 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.099 -16.537 -12.454 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.130 -17.102 -11.108 1.00 0.00 H new ATOM 887 N GLU A 59 -15.864 -16.444 -8.107 1.00 0.00 N ATOM 888 CA GLU A 59 -15.998 -16.905 -6.729 1.00 0.00 C ATOM 889 C GLU A 59 -16.825 -15.912 -5.892 1.00 0.00 C ATOM 890 O GLU A 59 -17.029 -16.143 -4.700 1.00 0.00 O ATOM 891 CB GLU A 59 -14.605 -17.122 -6.106 1.00 0.00 C ATOM 892 CG GLU A 59 -13.796 -18.235 -6.788 1.00 0.00 C ATOM 893 CD GLU A 59 -12.516 -18.563 -5.997 1.00 0.00 C ATOM 894 OE1 GLU A 59 -11.490 -17.863 -6.158 1.00 0.00 O ATOM 895 OE2 GLU A 59 -12.514 -19.540 -5.213 1.00 0.00 O ATOM 0 H GLU A 59 -15.564 -15.471 -8.172 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.530 -17.856 -6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.043 -16.190 -6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.722 -17.364 -5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.410 -19.131 -6.877 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.532 -17.927 -7.800 1.00 0.00 H new ATOM 902 N ASN A 60 -17.313 -14.813 -6.486 1.00 0.00 N ATOM 903 CA ASN A 60 -17.913 -13.678 -5.772 1.00 0.00 C ATOM 904 C ASN A 60 -19.106 -13.150 -6.555 1.00 0.00 C ATOM 905 O ASN A 60 -19.245 -11.952 -6.815 1.00 0.00 O ATOM 906 CB ASN A 60 -16.870 -12.590 -5.497 1.00 0.00 C ATOM 907 CG ASN A 60 -15.832 -13.105 -4.519 1.00 0.00 C ATOM 908 OD1 ASN A 60 -16.090 -13.179 -3.324 1.00 0.00 O ATOM 909 ND2 ASN A 60 -14.668 -13.507 -5.003 1.00 0.00 N ATOM 0 H ASN A 60 -17.301 -14.687 -7.498 1.00 0.00 H new ATOM 0 HA ASN A 60 -18.274 -14.015 -4.800 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -16.388 -12.292 -6.428 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.356 -11.703 -5.091 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.960 -13.890 -4.376 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.479 -13.434 -6.003 1.00 0.00 H new ATOM 916 N GLN A 61 -19.959 -14.093 -6.948 1.00 0.00 N ATOM 917 CA GLN A 61 -21.201 -13.865 -7.663 1.00 0.00 C ATOM 918 C GLN A 61 -22.046 -12.861 -6.876 1.00 0.00 C ATOM 919 O GLN A 61 -22.584 -11.906 -7.434 1.00 0.00 O ATOM 920 CB GLN A 61 -21.975 -15.194 -7.816 1.00 0.00 C ATOM 921 CG GLN A 61 -21.213 -16.399 -8.402 1.00 0.00 C ATOM 922 CD GLN A 61 -20.116 -17.036 -7.527 1.00 0.00 C ATOM 923 OE1 GLN A 61 -19.175 -17.614 -8.054 1.00 0.00 O ATOM 924 NE2 GLN A 61 -20.155 -16.959 -6.200 1.00 0.00 N ATOM 0 H GLN A 61 -19.790 -15.082 -6.765 1.00 0.00 H new ATOM 0 HA GLN A 61 -20.985 -13.470 -8.656 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -22.351 -15.479 -6.833 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -22.844 -15.006 -8.447 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -21.941 -17.172 -8.646 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.756 -16.085 -9.340 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -20.930 -16.482 -5.739 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -19.410 -17.377 -5.643 1.00 0.00 H new ATOM 933 N GLU A 62 -22.114 -13.078 -5.561 1.00 0.00 N ATOM 934 CA GLU A 62 -22.915 -12.328 -4.620 1.00 0.00 C ATOM 935 C GLU A 62 -22.432 -10.883 -4.564 1.00 0.00 C ATOM 936 O GLU A 62 -23.245 -9.967 -4.664 1.00 0.00 O ATOM 937 CB GLU A 62 -22.821 -12.984 -3.229 1.00 0.00 C ATOM 938 CG GLU A 62 -23.412 -14.406 -3.161 1.00 0.00 C ATOM 939 CD GLU A 62 -22.368 -15.525 -3.354 1.00 0.00 C ATOM 940 OE1 GLU A 62 -21.638 -15.519 -4.371 1.00 0.00 O ATOM 941 OE2 GLU A 62 -22.293 -16.434 -2.494 1.00 0.00 O ATOM 0 H GLU A 62 -21.581 -13.822 -5.111 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.956 -12.332 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -21.774 -13.023 -2.928 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.338 -12.353 -2.506 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -23.900 -14.540 -2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -24.183 -14.506 -3.925 1.00 0.00 H new ATOM 948 N THR A 63 -21.119 -10.664 -4.444 1.00 0.00 N ATOM 949 CA THR A 63 -20.576 -9.322 -4.297 1.00 0.00 C ATOM 950 C THR A 63 -20.740 -8.545 -5.595 1.00 0.00 C ATOM 951 O THR A 63 -21.155 -7.397 -5.556 1.00 0.00 O ATOM 952 CB THR A 63 -19.107 -9.356 -3.875 1.00 0.00 C ATOM 953 OG1 THR A 63 -18.853 -10.483 -3.077 1.00 0.00 O ATOM 954 CG2 THR A 63 -18.668 -8.116 -3.095 1.00 0.00 C ATOM 0 H THR A 63 -20.417 -11.404 -4.446 1.00 0.00 H new ATOM 0 HA THR A 63 -21.134 -8.817 -3.508 1.00 0.00 H new ATOM 0 HB THR A 63 -18.537 -9.391 -4.803 1.00 0.00 H new ATOM 0 HG1 THR A 63 -19.366 -10.417 -2.245 1.00 0.00 H new ATOM 0 HG21 THR A 63 -17.615 -8.208 -2.828 1.00 0.00 H new ATOM 0 HG22 THR A 63 -18.810 -7.229 -3.712 1.00 0.00 H new ATOM 0 HG23 THR A 63 -19.266 -8.026 -2.188 1.00 0.00 H new ATOM 962 N ALA A 64 -20.470 -9.148 -6.754 1.00 0.00 N ATOM 963 CA ALA A 64 -20.679 -8.461 -8.019 1.00 0.00 C ATOM 964 C ALA A 64 -22.168 -8.110 -8.176 1.00 0.00 C ATOM 965 O ALA A 64 -22.519 -6.954 -8.435 1.00 0.00 O ATOM 966 CB ALA A 64 -20.151 -9.351 -9.149 1.00 0.00 C ATOM 0 H ALA A 64 -20.111 -10.099 -6.838 1.00 0.00 H new ATOM 0 HA ALA A 64 -20.131 -7.519 -8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.300 -8.851 -10.106 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.088 -9.538 -8.999 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -20.689 -10.299 -9.147 1.00 0.00 H new ATOM 972 N GLY A 65 -23.055 -9.074 -7.902 1.00 0.00 N ATOM 973 CA GLY A 65 -24.500 -8.881 -7.902 1.00 0.00 C ATOM 974 C GLY A 65 -24.960 -7.795 -6.925 1.00 0.00 C ATOM 975 O GLY A 65 -25.970 -7.139 -7.180 1.00 0.00 O ATOM 0 H GLY A 65 -22.777 -10.028 -7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -24.826 -8.618 -8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -24.986 -9.822 -7.646 1.00 0.00 H new ATOM 979 N LYS A 66 -24.197 -7.537 -5.855 1.00 0.00 N ATOM 980 CA LYS A 66 -24.463 -6.500 -4.855 1.00 0.00 C ATOM 981 C LYS A 66 -24.550 -5.104 -5.486 1.00 0.00 C ATOM 982 O LYS A 66 -25.189 -4.226 -4.904 1.00 0.00 O ATOM 983 CB LYS A 66 -23.373 -6.564 -3.763 1.00 0.00 C ATOM 984 CG LYS A 66 -23.847 -6.079 -2.384 1.00 0.00 C ATOM 985 CD LYS A 66 -22.756 -6.225 -1.307 1.00 0.00 C ATOM 986 CE LYS A 66 -22.385 -7.701 -1.062 1.00 0.00 C ATOM 987 NZ LYS A 66 -21.384 -7.899 0.012 1.00 0.00 N ATOM 0 H LYS A 66 -23.347 -8.065 -5.657 1.00 0.00 H new ATOM 0 HA LYS A 66 -25.436 -6.688 -4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -23.020 -7.592 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -22.521 -5.960 -4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.149 -5.034 -2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -24.728 -6.646 -2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -21.867 -5.673 -1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -23.103 -5.778 -0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -23.289 -8.255 -0.809 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.999 -8.127 -1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.912 -8.817 -0.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.677 -7.138 -0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.859 -7.882 0.937 1.00 0.00 H new ATOM 1001 N TYR A 67 -23.972 -4.908 -6.677 1.00 0.00 N ATOM 1002 CA TYR A 67 -23.995 -3.649 -7.420 1.00 0.00 C ATOM 1003 C TYR A 67 -24.494 -3.877 -8.859 1.00 0.00 C ATOM 1004 O TYR A 67 -24.337 -3.007 -9.716 1.00 0.00 O ATOM 1005 CB TYR A 67 -22.599 -2.997 -7.389 1.00 0.00 C ATOM 1006 CG TYR A 67 -21.777 -3.280 -6.145 1.00 0.00 C ATOM 1007 CD1 TYR A 67 -21.995 -2.572 -4.946 1.00 0.00 C ATOM 1008 CD2 TYR A 67 -20.841 -4.328 -6.179 1.00 0.00 C ATOM 1009 CE1 TYR A 67 -21.279 -2.919 -3.786 1.00 0.00 C ATOM 1010 CE2 TYR A 67 -20.136 -4.688 -5.025 1.00 0.00 C ATOM 1011 CZ TYR A 67 -20.356 -3.989 -3.816 1.00 0.00 C ATOM 1012 OH TYR A 67 -19.726 -4.359 -2.668 1.00 0.00 O ATOM 0 H TYR A 67 -23.461 -5.645 -7.162 1.00 0.00 H new ATOM 0 HA TYR A 67 -24.695 -2.962 -6.944 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -22.038 -3.337 -8.260 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -22.718 -1.918 -7.488 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -22.711 -1.764 -4.918 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -20.665 -4.859 -7.103 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -21.435 -2.367 -2.871 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.424 -5.500 -5.058 1.00 0.00 H new ATOM 0 HH TYR A 67 -18.767 -4.465 -2.841 1.00 0.00 H new ATOM 1022 N GLY A 68 -25.072 -5.052 -9.143 1.00 0.00 N ATOM 1023 CA GLY A 68 -25.561 -5.439 -10.462 1.00 0.00 C ATOM 1024 C GLY A 68 -24.445 -5.686 -11.484 1.00 0.00 C ATOM 1025 O GLY A 68 -24.703 -5.651 -12.689 1.00 0.00 O ATOM 0 H GLY A 68 -25.214 -5.776 -8.438 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -26.161 -6.344 -10.366 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -26.221 -4.658 -10.839 1.00 0.00 H new ATOM 1029 N VAL A 69 -23.211 -5.913 -11.031 1.00 0.00 N ATOM 1030 CA VAL A 69 -22.075 -6.245 -11.882 1.00 0.00 C ATOM 1031 C VAL A 69 -22.138 -7.746 -12.177 1.00 0.00 C ATOM 1032 O VAL A 69 -22.405 -8.553 -11.286 1.00 0.00 O ATOM 1033 CB VAL A 69 -20.763 -5.834 -11.167 1.00 0.00 C ATOM 1034 CG1 VAL A 69 -19.502 -6.219 -11.955 1.00 0.00 C ATOM 1035 CG2 VAL A 69 -20.725 -4.314 -10.933 1.00 0.00 C ATOM 0 H VAL A 69 -22.972 -5.869 -10.040 1.00 0.00 H new ATOM 0 HA VAL A 69 -22.104 -5.704 -12.828 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.762 -6.377 -10.222 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -18.617 -5.904 -11.402 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.477 -7.300 -12.096 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.516 -5.727 -12.927 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -19.796 -4.046 -10.430 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -20.781 -3.797 -11.891 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.571 -4.020 -10.312 1.00 0.00 H new ATOM 1045 N MET A 70 -21.870 -8.121 -13.429 1.00 0.00 N ATOM 1046 CA MET A 70 -21.644 -9.503 -13.860 1.00 0.00 C ATOM 1047 C MET A 70 -20.744 -9.511 -15.113 1.00 0.00 C ATOM 1048 O MET A 70 -20.764 -10.450 -15.912 1.00 0.00 O ATOM 1049 CB MET A 70 -22.989 -10.246 -14.040 1.00 0.00 C ATOM 1050 CG MET A 70 -23.180 -11.349 -12.986 1.00 0.00 C ATOM 1051 SD MET A 70 -21.955 -12.698 -13.016 1.00 0.00 S ATOM 1052 CE MET A 70 -21.083 -12.423 -11.445 1.00 0.00 C ATOM 0 H MET A 70 -21.802 -7.451 -14.195 1.00 0.00 H new ATOM 0 HA MET A 70 -21.109 -10.059 -13.090 1.00 0.00 H new ATOM 0 HB2 MET A 70 -23.810 -9.532 -13.972 1.00 0.00 H new ATOM 0 HB3 MET A 70 -23.031 -10.685 -15.037 1.00 0.00 H new ATOM 0 HG2 MET A 70 -23.161 -10.888 -11.998 1.00 0.00 H new ATOM 0 HG3 MET A 70 -24.172 -11.782 -13.116 1.00 0.00 H new ATOM 0 HE1 MET A 70 -20.582 -13.342 -11.141 1.00 0.00 H new ATOM 0 HE2 MET A 70 -20.344 -11.632 -11.573 1.00 0.00 H new ATOM 0 HE3 MET A 70 -21.799 -12.129 -10.678 1.00 0.00 H new ATOM 1062 N SER A 71 -19.939 -8.456 -15.276 1.00 0.00 N ATOM 1063 CA SER A 71 -19.023 -8.233 -16.381 1.00 0.00 C ATOM 1064 C SER A 71 -17.736 -7.649 -15.795 1.00 0.00 C ATOM 1065 O SER A 71 -17.764 -7.052 -14.714 1.00 0.00 O ATOM 1066 CB SER A 71 -19.652 -7.274 -17.404 1.00 0.00 C ATOM 1067 OG SER A 71 -20.924 -7.737 -17.839 1.00 0.00 O ATOM 0 H SER A 71 -19.914 -7.695 -14.597 1.00 0.00 H new ATOM 0 HA SER A 71 -18.806 -9.165 -16.904 1.00 0.00 H new ATOM 0 HB2 SER A 71 -19.756 -6.284 -16.960 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.988 -7.170 -18.262 1.00 0.00 H new ATOM 0 HG SER A 71 -21.298 -7.105 -18.488 1.00 0.00 H new ATOM 1073 N ILE A 72 -16.610 -7.836 -16.484 1.00 0.00 N ATOM 1074 CA ILE A 72 -15.276 -7.523 -15.982 1.00 0.00 C ATOM 1075 C ILE A 72 -14.385 -7.047 -17.147 1.00 0.00 C ATOM 1076 O ILE A 72 -14.706 -7.362 -18.298 1.00 0.00 O ATOM 1077 CB ILE A 72 -14.663 -8.755 -15.266 1.00 0.00 C ATOM 1078 CG1 ILE A 72 -14.338 -9.983 -16.150 1.00 0.00 C ATOM 1079 CG2 ILE A 72 -15.466 -9.162 -14.020 1.00 0.00 C ATOM 1080 CD1 ILE A 72 -15.507 -10.836 -16.662 1.00 0.00 C ATOM 0 H ILE A 72 -16.602 -8.219 -17.429 1.00 0.00 H new ATOM 0 HA ILE A 72 -15.344 -6.719 -15.249 1.00 0.00 H new ATOM 0 HB ILE A 72 -13.683 -8.389 -14.958 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -13.778 -9.631 -17.016 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -13.673 -10.635 -15.584 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -14.998 -10.029 -13.553 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -15.484 -8.334 -13.312 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -16.486 -9.413 -14.311 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -15.121 -11.657 -17.266 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -16.062 -11.238 -15.815 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -16.169 -10.219 -17.270 1.00 0.00 H new ATOM 1092 N PRO A 73 -13.265 -6.337 -16.894 1.00 0.00 N ATOM 1093 CA PRO A 73 -12.881 -5.750 -15.616 1.00 0.00 C ATOM 1094 C PRO A 73 -13.858 -4.631 -15.261 1.00 0.00 C ATOM 1095 O PRO A 73 -14.237 -3.836 -16.125 1.00 0.00 O ATOM 1096 CB PRO A 73 -11.455 -5.214 -15.793 1.00 0.00 C ATOM 1097 CG PRO A 73 -11.296 -5.029 -17.300 1.00 0.00 C ATOM 1098 CD PRO A 73 -12.283 -6.018 -17.914 1.00 0.00 C ATOM 0 HA PRO A 73 -12.910 -6.476 -14.804 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.317 -4.272 -15.262 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.717 -5.913 -15.400 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.521 -4.006 -17.600 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.275 -5.237 -17.620 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.766 -5.585 -18.790 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.768 -6.919 -18.246 1.00 0.00 H new ATOM 1106 N THR A 74 -14.234 -4.557 -13.989 1.00 0.00 N ATOM 1107 CA THR A 74 -15.119 -3.535 -13.469 1.00 0.00 C ATOM 1108 C THR A 74 -14.456 -2.996 -12.209 1.00 0.00 C ATOM 1109 O THR A 74 -14.183 -3.732 -11.259 1.00 0.00 O ATOM 1110 CB THR A 74 -16.528 -4.107 -13.246 1.00 0.00 C ATOM 1111 OG1 THR A 74 -17.094 -4.454 -14.492 1.00 0.00 O ATOM 1112 CG2 THR A 74 -17.446 -3.090 -12.560 1.00 0.00 C ATOM 0 H THR A 74 -13.923 -5.222 -13.281 1.00 0.00 H new ATOM 0 HA THR A 74 -15.267 -2.711 -14.168 1.00 0.00 H new ATOM 0 HB THR A 74 -16.436 -4.983 -12.603 1.00 0.00 H new ATOM 0 HG1 THR A 74 -17.103 -5.429 -14.587 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.434 -3.529 -12.418 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.028 -2.818 -11.591 1.00 0.00 H new ATOM 0 HG23 THR A 74 -17.531 -2.199 -13.182 1.00 0.00 H new ATOM 1120 N LEU A 75 -14.146 -1.706 -12.238 1.00 0.00 N ATOM 1121 CA LEU A 75 -13.520 -1.001 -11.142 1.00 0.00 C ATOM 1122 C LEU A 75 -14.637 -0.329 -10.363 1.00 0.00 C ATOM 1123 O LEU A 75 -15.501 0.315 -10.961 1.00 0.00 O ATOM 1124 CB LEU A 75 -12.547 0.061 -11.679 1.00 0.00 C ATOM 1125 CG LEU A 75 -11.335 -0.495 -12.455 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -10.472 0.672 -12.940 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.475 -1.448 -11.618 1.00 0.00 C ATOM 0 H LEU A 75 -14.330 -1.112 -13.047 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.952 -1.686 -10.512 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.097 0.738 -12.332 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.181 0.654 -10.840 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.725 -1.070 -13.295 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.613 0.286 -13.489 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.062 1.314 -13.594 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.125 1.249 -12.083 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.639 -1.806 -12.218 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.094 -0.921 -10.743 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.079 -2.296 -11.296 1.00 0.00 H new ATOM 1139 N LEU A 76 -14.602 -0.440 -9.041 1.00 0.00 N ATOM 1140 CA LEU A 76 -15.463 0.326 -8.152 1.00 0.00 C ATOM 1141 C LEU A 76 -14.511 1.131 -7.290 1.00 0.00 C ATOM 1142 O LEU A 76 -13.591 0.559 -6.702 1.00 0.00 O ATOM 1143 CB LEU A 76 -16.348 -0.571 -7.264 1.00 0.00 C ATOM 1144 CG LEU A 76 -17.759 -0.847 -7.808 1.00 0.00 C ATOM 1145 CD1 LEU A 76 -17.758 -1.752 -9.042 1.00 0.00 C ATOM 1146 CD2 LEU A 76 -18.617 -1.504 -6.723 1.00 0.00 C ATOM 0 H LEU A 76 -13.968 -1.072 -8.552 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.155 0.944 -8.724 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.840 -1.524 -7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -16.440 -0.105 -6.283 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.170 0.119 -8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -18.783 -1.910 -9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -17.183 -1.280 -9.839 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -17.308 -2.712 -8.789 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -19.615 -1.697 -7.116 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -18.159 -2.445 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -18.688 -0.839 -5.862 1.00 0.00 H new ATOM 1158 N VAL A 77 -14.716 2.441 -7.203 1.00 0.00 N ATOM 1159 CA VAL A 77 -14.013 3.243 -6.218 1.00 0.00 C ATOM 1160 C VAL A 77 -14.980 3.274 -5.045 1.00 0.00 C ATOM 1161 O VAL A 77 -16.149 3.642 -5.214 1.00 0.00 O ATOM 1162 CB VAL A 77 -13.660 4.651 -6.743 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -12.703 5.354 -5.768 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -12.991 4.614 -8.129 1.00 0.00 C ATOM 0 H VAL A 77 -15.358 2.963 -7.799 1.00 0.00 H new ATOM 0 HA VAL A 77 -13.041 2.829 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 77 -14.601 5.195 -6.827 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.461 6.346 -6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.180 5.446 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.788 4.769 -5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.764 5.630 -8.451 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.068 4.037 -8.072 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -13.667 4.149 -8.847 1.00 0.00 H new ATOM 1174 N LEU A 78 -14.501 2.869 -3.873 1.00 0.00 N ATOM 1175 CA LEU A 78 -15.221 2.950 -2.611 1.00 0.00 C ATOM 1176 C LEU A 78 -14.420 3.858 -1.686 1.00 0.00 C ATOM 1177 O LEU A 78 -13.215 4.045 -1.882 1.00 0.00 O ATOM 1178 CB LEU A 78 -15.427 1.562 -1.967 1.00 0.00 C ATOM 1179 CG LEU A 78 -16.257 0.567 -2.810 1.00 0.00 C ATOM 1180 CD1 LEU A 78 -15.355 -0.356 -3.638 1.00 0.00 C ATOM 1181 CD2 LEU A 78 -17.159 -0.300 -1.921 1.00 0.00 C ATOM 0 H LEU A 78 -13.571 2.463 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.218 3.353 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.450 1.121 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.917 1.695 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.873 1.167 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.972 -1.042 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.744 0.243 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.707 -0.925 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.730 -0.989 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.544 -0.867 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.845 0.339 -1.365 1.00 0.00 H new ATOM 1193 N LYS A 79 -15.069 4.407 -0.664 1.00 0.00 N ATOM 1194 CA LYS A 79 -14.422 5.206 0.363 1.00 0.00 C ATOM 1195 C LYS A 79 -15.123 4.910 1.675 1.00 0.00 C ATOM 1196 O LYS A 79 -16.340 5.065 1.755 1.00 0.00 O ATOM 1197 CB LYS A 79 -14.487 6.695 -0.017 1.00 0.00 C ATOM 1198 CG LYS A 79 -13.613 7.563 0.904 1.00 0.00 C ATOM 1199 CD LYS A 79 -13.544 9.004 0.376 1.00 0.00 C ATOM 1200 CE LYS A 79 -12.414 9.796 1.052 1.00 0.00 C ATOM 1201 NZ LYS A 79 -12.210 11.111 0.402 1.00 0.00 N ATOM 0 H LYS A 79 -16.075 4.306 -0.527 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.365 4.958 0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.161 6.820 -1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.520 7.038 0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.022 7.558 1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.609 7.143 0.965 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.386 8.991 -0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.496 9.504 0.553 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.651 9.943 2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.489 9.221 1.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.250 11.454 0.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.331 11.012 -0.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.906 11.791 0.769 1.00 0.00 H new ATOM 1215 N ASP A 80 -14.361 4.485 2.684 1.00 0.00 N ATOM 1216 CA ASP A 80 -14.822 4.243 4.053 1.00 0.00 C ATOM 1217 C ASP A 80 -16.145 3.450 4.124 1.00 0.00 C ATOM 1218 O ASP A 80 -17.007 3.710 4.966 1.00 0.00 O ATOM 1219 CB ASP A 80 -14.849 5.573 4.826 1.00 0.00 C ATOM 1220 CG ASP A 80 -15.103 5.382 6.332 1.00 0.00 C ATOM 1221 OD1 ASP A 80 -14.466 4.504 6.956 1.00 0.00 O ATOM 1222 OD2 ASP A 80 -15.894 6.158 6.919 1.00 0.00 O ATOM 0 H ASP A 80 -13.366 4.292 2.566 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.107 3.584 4.546 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.900 6.089 4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.626 6.214 4.410 1.00 0.00 H new ATOM 1227 N GLY A 81 -16.321 2.487 3.212 1.00 0.00 N ATOM 1228 CA GLY A 81 -17.387 1.495 3.264 1.00 0.00 C ATOM 1229 C GLY A 81 -18.505 1.682 2.241 1.00 0.00 C ATOM 1230 O GLY A 81 -19.402 0.838 2.201 1.00 0.00 O ATOM 0 H GLY A 81 -15.710 2.378 2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.949 0.507 3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.825 1.509 4.262 1.00 0.00 H new ATOM 1234 N GLU A 82 -18.484 2.730 1.408 1.00 0.00 N ATOM 1235 CA GLU A 82 -19.529 2.984 0.421 1.00 0.00 C ATOM 1236 C GLU A 82 -18.909 3.244 -0.950 1.00 0.00 C ATOM 1237 O GLU A 82 -17.807 3.785 -1.042 1.00 0.00 O ATOM 1238 CB GLU A 82 -20.421 4.134 0.912 1.00 0.00 C ATOM 1239 CG GLU A 82 -19.816 5.542 0.806 1.00 0.00 C ATOM 1240 CD GLU A 82 -20.778 6.607 1.366 1.00 0.00 C ATOM 1241 OE1 GLU A 82 -21.614 7.142 0.605 1.00 0.00 O ATOM 1242 OE2 GLU A 82 -20.704 6.932 2.574 1.00 0.00 O ATOM 0 H GLU A 82 -17.737 3.425 1.403 1.00 0.00 H new ATOM 0 HA GLU A 82 -20.166 2.107 0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -21.351 4.115 0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -20.680 3.948 1.954 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -18.873 5.577 1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -19.589 5.765 -0.236 1.00 0.00 H new ATOM 1249 N VAL A 83 -19.605 2.843 -2.015 1.00 0.00 N ATOM 1250 CA VAL A 83 -19.201 3.107 -3.390 1.00 0.00 C ATOM 1251 C VAL A 83 -19.315 4.612 -3.630 1.00 0.00 C ATOM 1252 O VAL A 83 -20.301 5.245 -3.241 1.00 0.00 O ATOM 1253 CB VAL A 83 -20.065 2.282 -4.374 1.00 0.00 C ATOM 1254 CG1 VAL A 83 -19.505 2.354 -5.802 1.00 0.00 C ATOM 1255 CG2 VAL A 83 -20.161 0.798 -3.978 1.00 0.00 C ATOM 0 H VAL A 83 -20.477 2.319 -1.942 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.169 2.800 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 83 -21.059 2.726 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.134 1.765 -6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -19.493 3.391 -6.136 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.490 1.957 -5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.779 0.267 -4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.163 0.360 -3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -20.610 0.714 -2.988 1.00 0.00 H new ATOM 1265 N VAL A 84 -18.314 5.163 -4.310 1.00 0.00 N ATOM 1266 CA VAL A 84 -18.281 6.543 -4.767 1.00 0.00 C ATOM 1267 C VAL A 84 -18.169 6.601 -6.294 1.00 0.00 C ATOM 1268 O VAL A 84 -18.565 7.614 -6.870 1.00 0.00 O ATOM 1269 CB VAL A 84 -17.181 7.351 -4.038 1.00 0.00 C ATOM 1270 CG1 VAL A 84 -17.394 7.348 -2.515 1.00 0.00 C ATOM 1271 CG2 VAL A 84 -15.755 6.865 -4.337 1.00 0.00 C ATOM 0 H VAL A 84 -17.476 4.641 -4.565 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.223 7.025 -4.506 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.276 8.364 -4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.603 7.925 -2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -18.361 7.794 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.370 6.323 -2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -15.039 7.479 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.652 5.825 -4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.560 6.945 -5.406 1.00 0.00 H new ATOM 1281 N GLU A 85 -17.713 5.530 -6.969 1.00 0.00 N ATOM 1282 CA GLU A 85 -17.723 5.485 -8.435 1.00 0.00 C ATOM 1283 C GLU A 85 -17.713 4.041 -8.946 1.00 0.00 C ATOM 1284 O GLU A 85 -17.365 3.116 -8.210 1.00 0.00 O ATOM 1285 CB GLU A 85 -16.519 6.288 -8.969 1.00 0.00 C ATOM 1286 CG GLU A 85 -16.469 6.519 -10.483 1.00 0.00 C ATOM 1287 CD GLU A 85 -17.739 7.188 -11.036 1.00 0.00 C ATOM 1288 OE1 GLU A 85 -18.759 6.485 -11.210 1.00 0.00 O ATOM 1289 OE2 GLU A 85 -17.726 8.410 -11.312 1.00 0.00 O ATOM 0 H GLU A 85 -17.337 4.693 -6.524 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.642 5.938 -8.805 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.511 7.260 -8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.606 5.772 -8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.606 7.140 -10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.322 5.563 -10.985 1.00 0.00 H new ATOM 1296 N THR A 86 -18.081 3.838 -10.211 1.00 0.00 N ATOM 1297 CA THR A 86 -18.028 2.564 -10.917 1.00 0.00 C ATOM 1298 C THR A 86 -17.632 2.836 -12.378 1.00 0.00 C ATOM 1299 O THR A 86 -18.148 3.772 -12.995 1.00 0.00 O ATOM 1300 CB THR A 86 -19.407 1.884 -10.810 1.00 0.00 C ATOM 1301 OG1 THR A 86 -19.745 1.686 -9.451 1.00 0.00 O ATOM 1302 CG2 THR A 86 -19.479 0.532 -11.529 1.00 0.00 C ATOM 0 H THR A 86 -18.440 4.593 -10.795 1.00 0.00 H new ATOM 0 HA THR A 86 -17.287 1.893 -10.481 1.00 0.00 H new ATOM 0 HB THR A 86 -20.112 2.556 -11.299 1.00 0.00 H new ATOM 0 HG1 THR A 86 -20.623 1.255 -9.392 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.477 0.111 -11.412 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.266 0.672 -12.589 1.00 0.00 H new ATOM 0 HG23 THR A 86 -18.745 -0.149 -11.098 1.00 0.00 H new ATOM 1310 N SER A 87 -16.748 2.003 -12.933 1.00 0.00 N ATOM 1311 CA SER A 87 -16.210 2.102 -14.288 1.00 0.00 C ATOM 1312 C SER A 87 -15.991 0.683 -14.828 1.00 0.00 C ATOM 1313 O SER A 87 -15.768 -0.243 -14.046 1.00 0.00 O ATOM 1314 CB SER A 87 -14.879 2.872 -14.258 1.00 0.00 C ATOM 1315 OG SER A 87 -15.021 4.152 -13.660 1.00 0.00 O ATOM 0 H SER A 87 -16.371 1.204 -12.424 1.00 0.00 H new ATOM 0 HA SER A 87 -16.906 2.637 -14.935 1.00 0.00 H new ATOM 0 HB2 SER A 87 -14.138 2.294 -13.706 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.503 2.986 -15.275 1.00 0.00 H new ATOM 0 HG SER A 87 -14.155 4.610 -13.658 1.00 0.00 H new ATOM 1321 N VAL A 88 -16.035 0.492 -16.148 1.00 0.00 N ATOM 1322 CA VAL A 88 -15.934 -0.825 -16.780 1.00 0.00 C ATOM 1323 C VAL A 88 -14.928 -0.725 -17.933 1.00 0.00 C ATOM 1324 O VAL A 88 -14.852 0.305 -18.610 1.00 0.00 O ATOM 1325 CB VAL A 88 -17.334 -1.297 -17.249 1.00 0.00 C ATOM 1326 CG1 VAL A 88 -17.303 -2.726 -17.817 1.00 0.00 C ATOM 1327 CG2 VAL A 88 -18.377 -1.269 -16.118 1.00 0.00 C ATOM 0 H VAL A 88 -16.143 1.256 -16.815 1.00 0.00 H new ATOM 0 HA VAL A 88 -15.575 -1.574 -16.074 1.00 0.00 H new ATOM 0 HB VAL A 88 -17.620 -0.590 -18.028 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -18.306 -3.014 -18.133 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.629 -2.763 -18.673 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.953 -3.415 -17.049 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -19.339 -1.609 -16.502 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -18.056 -1.927 -15.310 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -18.476 -0.252 -15.740 1.00 0.00 H new ATOM 1337 N GLY A 89 -14.171 -1.800 -18.160 1.00 0.00 N ATOM 1338 CA GLY A 89 -13.188 -1.904 -19.227 1.00 0.00 C ATOM 1339 C GLY A 89 -11.813 -1.401 -18.785 1.00 0.00 C ATOM 1340 O GLY A 89 -11.633 -0.917 -17.664 1.00 0.00 O ATOM 0 H GLY A 89 -14.230 -2.643 -17.588 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.109 -2.943 -19.548 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.525 -1.329 -20.089 1.00 0.00 H new ATOM 1344 N PHE A 90 -10.830 -1.548 -19.676 1.00 0.00 N ATOM 1345 CA PHE A 90 -9.471 -1.056 -19.472 1.00 0.00 C ATOM 1346 C PHE A 90 -9.471 0.473 -19.335 1.00 0.00 C ATOM 1347 O PHE A 90 -10.263 1.160 -19.986 1.00 0.00 O ATOM 1348 CB PHE A 90 -8.599 -1.505 -20.657 1.00 0.00 C ATOM 1349 CG PHE A 90 -7.161 -1.017 -20.604 1.00 0.00 C ATOM 1350 CD1 PHE A 90 -6.183 -1.770 -19.929 1.00 0.00 C ATOM 1351 CD2 PHE A 90 -6.805 0.203 -21.217 1.00 0.00 C ATOM 1352 CE1 PHE A 90 -4.858 -1.303 -19.864 1.00 0.00 C ATOM 1353 CE2 PHE A 90 -5.484 0.674 -21.140 1.00 0.00 C ATOM 1354 CZ PHE A 90 -4.508 -0.079 -20.463 1.00 0.00 C ATOM 0 H PHE A 90 -10.960 -2.019 -20.571 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.062 -1.468 -18.550 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.598 -2.594 -20.698 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -9.055 -1.151 -21.582 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.450 -2.706 -19.461 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.551 0.777 -21.747 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.106 -1.886 -19.352 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.218 1.614 -21.600 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.492 0.282 -20.403 1.00 0.00 H new ATOM 1364 N LYS A 91 -8.531 1.007 -18.545 1.00 0.00 N ATOM 1365 CA LYS A 91 -8.213 2.431 -18.468 1.00 0.00 C ATOM 1366 C LYS A 91 -6.698 2.562 -18.313 1.00 0.00 C ATOM 1367 O LYS A 91 -6.097 1.708 -17.658 1.00 0.00 O ATOM 1368 CB LYS A 91 -8.914 3.112 -17.276 1.00 0.00 C ATOM 1369 CG LYS A 91 -10.281 3.675 -17.679 1.00 0.00 C ATOM 1370 CD LYS A 91 -10.944 4.424 -16.512 1.00 0.00 C ATOM 1371 CE LYS A 91 -12.360 4.916 -16.857 1.00 0.00 C ATOM 1372 NZ LYS A 91 -12.381 5.971 -17.903 1.00 0.00 N ATOM 0 H LYS A 91 -7.955 0.439 -17.924 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.564 2.924 -19.374 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.039 2.393 -16.466 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.286 3.916 -16.894 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.163 4.350 -18.527 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.929 2.862 -18.007 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.993 3.767 -15.644 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.325 5.276 -16.233 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.959 4.069 -17.194 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.833 5.301 -15.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.364 6.257 -18.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.836 6.794 -17.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.958 5.601 -18.778 1.00 0.00 H new ATOM 1386 N PRO A 92 -6.082 3.612 -18.879 1.00 0.00 N ATOM 1387 CA PRO A 92 -4.670 3.898 -18.678 1.00 0.00 C ATOM 1388 C PRO A 92 -4.433 4.435 -17.260 1.00 0.00 C ATOM 1389 O PRO A 92 -5.356 4.949 -16.617 1.00 0.00 O ATOM 1390 CB PRO A 92 -4.331 4.935 -19.752 1.00 0.00 C ATOM 1391 CG PRO A 92 -5.633 5.712 -19.925 1.00 0.00 C ATOM 1392 CD PRO A 92 -6.698 4.636 -19.716 1.00 0.00 C ATOM 0 HA PRO A 92 -4.038 3.015 -18.768 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.515 5.585 -19.438 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.020 4.461 -20.683 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.723 6.518 -19.196 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.705 6.166 -20.913 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.583 5.052 -19.234 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.021 4.217 -20.669 1.00 0.00 H new ATOM 1400 N LYS A 93 -3.178 4.378 -16.794 1.00 0.00 N ATOM 1401 CA LYS A 93 -2.808 4.857 -15.460 1.00 0.00 C ATOM 1402 C LYS A 93 -3.211 6.311 -15.281 1.00 0.00 C ATOM 1403 O LYS A 93 -3.728 6.650 -14.226 1.00 0.00 O ATOM 1404 CB LYS A 93 -1.295 4.688 -15.210 1.00 0.00 C ATOM 1405 CG LYS A 93 -0.865 5.166 -13.808 1.00 0.00 C ATOM 1406 CD LYS A 93 0.663 5.172 -13.694 1.00 0.00 C ATOM 1407 CE LYS A 93 1.087 5.941 -12.437 1.00 0.00 C ATOM 1408 NZ LYS A 93 2.564 6.037 -12.316 1.00 0.00 N ATOM 0 H LYS A 93 -2.396 4.000 -17.330 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.345 4.253 -14.728 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.026 3.638 -15.329 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.742 5.246 -15.965 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.254 6.167 -13.622 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.291 4.512 -13.047 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.038 4.149 -13.649 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.101 5.634 -14.579 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.659 6.943 -12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.682 5.445 -11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.807 6.621 -11.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.965 5.085 -12.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.955 6.472 -13.176 1.00 0.00 H new ATOM 1422 N GLU A 94 -2.977 7.177 -16.269 1.00 0.00 N ATOM 1423 CA GLU A 94 -3.139 8.615 -16.068 1.00 0.00 C ATOM 1424 C GLU A 94 -4.600 8.982 -15.805 1.00 0.00 C ATOM 1425 O GLU A 94 -4.876 9.819 -14.943 1.00 0.00 O ATOM 1426 CB GLU A 94 -2.580 9.398 -17.267 1.00 0.00 C ATOM 1427 CG GLU A 94 -1.059 9.230 -17.411 1.00 0.00 C ATOM 1428 CD GLU A 94 -0.505 10.076 -18.571 1.00 0.00 C ATOM 1429 OE1 GLU A 94 -0.440 9.579 -19.719 1.00 0.00 O ATOM 1430 OE2 GLU A 94 -0.108 11.242 -18.347 1.00 0.00 O ATOM 0 H GLU A 94 -2.678 6.910 -17.207 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.568 8.894 -15.183 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.069 9.059 -18.180 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.818 10.455 -17.151 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.570 9.521 -16.481 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.822 8.180 -17.580 1.00 0.00 H new ATOM 1437 N ALA A 95 -5.532 8.315 -16.487 1.00 0.00 N ATOM 1438 CA ALA A 95 -6.953 8.485 -16.252 1.00 0.00 C ATOM 1439 C ALA A 95 -7.347 7.905 -14.898 1.00 0.00 C ATOM 1440 O ALA A 95 -8.105 8.523 -14.154 1.00 0.00 O ATOM 1441 CB ALA A 95 -7.730 7.770 -17.356 1.00 0.00 C ATOM 0 H ALA A 95 -5.314 7.640 -17.220 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.188 9.549 -16.256 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.800 7.893 -17.186 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.464 8.197 -18.323 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.481 6.709 -17.347 1.00 0.00 H new ATOM 1447 N LEU A 96 -6.841 6.715 -14.571 1.00 0.00 N ATOM 1448 CA LEU A 96 -7.208 6.018 -13.351 1.00 0.00 C ATOM 1449 C LEU A 96 -6.697 6.770 -12.123 1.00 0.00 C ATOM 1450 O LEU A 96 -7.435 6.926 -11.153 1.00 0.00 O ATOM 1451 CB LEU A 96 -6.681 4.578 -13.424 1.00 0.00 C ATOM 1452 CG LEU A 96 -7.055 3.701 -12.215 1.00 0.00 C ATOM 1453 CD1 LEU A 96 -8.559 3.696 -11.909 1.00 0.00 C ATOM 1454 CD2 LEU A 96 -6.593 2.267 -12.503 1.00 0.00 C ATOM 0 H LEU A 96 -6.166 6.213 -15.148 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.293 5.978 -13.253 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.065 4.109 -14.330 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.595 4.606 -13.515 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.561 4.119 -11.338 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.753 3.059 -11.046 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.889 4.712 -11.691 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.105 3.314 -12.772 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.848 1.626 -11.659 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.089 1.898 -13.401 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.514 2.256 -12.654 1.00 0.00 H new ATOM 1466 N GLN A 97 -5.467 7.291 -12.163 1.00 0.00 N ATOM 1467 CA GLN A 97 -4.920 8.063 -11.056 1.00 0.00 C ATOM 1468 C GLN A 97 -5.629 9.409 -10.963 1.00 0.00 C ATOM 1469 O GLN A 97 -5.817 9.911 -9.859 1.00 0.00 O ATOM 1470 CB GLN A 97 -3.388 8.204 -11.147 1.00 0.00 C ATOM 1471 CG GLN A 97 -2.872 9.114 -12.267 1.00 0.00 C ATOM 1472 CD GLN A 97 -2.869 10.612 -11.962 1.00 0.00 C ATOM 1473 OE1 GLN A 97 -2.324 11.072 -10.964 1.00 0.00 O ATOM 1474 NE2 GLN A 97 -3.472 11.399 -12.840 1.00 0.00 N ATOM 0 H GLN A 97 -4.833 7.189 -12.956 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.107 7.520 -10.130 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.019 8.585 -10.195 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.957 7.212 -11.282 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.855 8.811 -12.515 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.480 8.945 -13.155 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.919 10.996 -13.663 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.489 12.408 -12.693 1.00 0.00 H new ATOM 1483 N GLU A 98 -6.055 9.982 -12.097 1.00 0.00 N ATOM 1484 CA GLU A 98 -6.809 11.223 -12.084 1.00 0.00 C ATOM 1485 C GLU A 98 -8.119 10.952 -11.355 1.00 0.00 C ATOM 1486 O GLU A 98 -8.447 11.672 -10.415 1.00 0.00 O ATOM 1487 CB GLU A 98 -7.019 11.763 -13.509 1.00 0.00 C ATOM 1488 CG GLU A 98 -7.850 13.051 -13.522 1.00 0.00 C ATOM 1489 CD GLU A 98 -7.933 13.654 -14.936 1.00 0.00 C ATOM 1490 OE1 GLU A 98 -8.843 13.280 -15.710 1.00 0.00 O ATOM 1491 OE2 GLU A 98 -7.105 14.528 -15.279 1.00 0.00 O ATOM 0 H GLU A 98 -5.886 9.600 -13.028 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.261 12.006 -11.559 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.050 11.953 -13.971 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.517 11.005 -14.114 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.855 12.841 -13.155 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.408 13.778 -12.841 1.00 0.00 H new ATOM 1498 N LEU A 99 -8.807 9.868 -11.714 1.00 0.00 N ATOM 1499 CA LEU A 99 -10.077 9.503 -11.106 1.00 0.00 C ATOM 1500 C LEU A 99 -9.911 9.275 -9.604 1.00 0.00 C ATOM 1501 O LEU A 99 -10.707 9.788 -8.822 1.00 0.00 O ATOM 1502 CB LEU A 99 -10.659 8.262 -11.804 1.00 0.00 C ATOM 1503 CG LEU A 99 -12.052 7.865 -11.276 1.00 0.00 C ATOM 1504 CD1 LEU A 99 -13.081 8.983 -11.494 1.00 0.00 C ATOM 1505 CD2 LEU A 99 -12.516 6.588 -11.987 1.00 0.00 C ATOM 0 H LEU A 99 -8.495 9.220 -12.437 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.781 10.325 -11.236 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.725 8.453 -12.875 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.975 7.424 -11.671 1.00 0.00 H new ATOM 0 HG LEU A 99 -11.973 7.692 -10.203 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -14.050 8.666 -11.109 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.758 9.882 -10.969 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.166 9.196 -12.560 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.501 6.303 -11.617 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.570 6.768 -13.061 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.807 5.784 -11.789 1.00 0.00 H new ATOM 1517 N VAL A 100 -8.860 8.563 -9.186 1.00 0.00 N ATOM 1518 CA VAL A 100 -8.557 8.372 -7.773 1.00 0.00 C ATOM 1519 C VAL A 100 -8.371 9.732 -7.099 1.00 0.00 C ATOM 1520 O VAL A 100 -8.976 9.972 -6.055 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.339 7.439 -7.610 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -6.732 7.490 -6.199 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -7.749 5.989 -7.919 1.00 0.00 C ATOM 0 H VAL A 100 -8.201 8.107 -9.817 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.390 7.879 -7.272 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.581 7.788 -8.311 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.879 6.813 -6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.403 8.506 -5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.482 7.187 -5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.886 5.334 -7.803 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.535 5.679 -7.231 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.117 5.925 -8.943 1.00 0.00 H new ATOM 1533 N ASN A 101 -7.592 10.645 -7.684 1.00 0.00 N ATOM 1534 CA ASN A 101 -7.323 11.943 -7.068 1.00 0.00 C ATOM 1535 C ASN A 101 -8.583 12.809 -6.939 1.00 0.00 C ATOM 1536 O ASN A 101 -8.652 13.627 -6.023 1.00 0.00 O ATOM 1537 CB ASN A 101 -6.143 12.666 -7.745 1.00 0.00 C ATOM 1538 CG ASN A 101 -6.499 13.972 -8.449 1.00 0.00 C ATOM 1539 OD1 ASN A 101 -6.340 15.057 -7.899 1.00 0.00 O ATOM 1540 ND2 ASN A 101 -6.949 13.892 -9.687 1.00 0.00 N ATOM 0 H ASN A 101 -7.136 10.507 -8.586 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.007 11.751 -6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.384 12.874 -6.991 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.693 11.991 -8.473 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -7.172 14.742 -10.205 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.074 12.980 -10.126 1.00 0.00 H new ATOM 1547 N LYS A 102 -9.605 12.600 -7.780 1.00 0.00 N ATOM 1548 CA LYS A 102 -10.917 13.233 -7.581 1.00 0.00 C ATOM 1549 C LYS A 102 -11.624 12.733 -6.312 1.00 0.00 C ATOM 1550 O LYS A 102 -12.474 13.457 -5.791 1.00 0.00 O ATOM 1551 CB LYS A 102 -11.851 13.033 -8.793 1.00 0.00 C ATOM 1552 CG LYS A 102 -11.347 13.576 -10.143 1.00 0.00 C ATOM 1553 CD LYS A 102 -10.871 15.040 -10.137 1.00 0.00 C ATOM 1554 CE LYS A 102 -11.936 16.055 -9.687 1.00 0.00 C ATOM 1555 NZ LYS A 102 -13.066 16.177 -10.644 1.00 0.00 N ATOM 0 H LYS A 102 -9.549 11.999 -8.603 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.709 14.297 -7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -12.043 11.966 -8.904 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.807 13.507 -8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.524 12.947 -10.483 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -12.148 13.476 -10.876 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.006 15.125 -9.480 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.536 15.304 -11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.324 15.758 -8.712 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.468 17.031 -9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.750 16.874 -10.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.706 16.488 -11.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.534 15.254 -10.747 1.00 0.00 H new ATOM 1569 N HIS A 103 -11.302 11.537 -5.807 1.00 0.00 N ATOM 1570 CA HIS A 103 -11.983 10.914 -4.670 1.00 0.00 C ATOM 1571 C HIS A 103 -11.137 10.902 -3.390 1.00 0.00 C ATOM 1572 O HIS A 103 -11.706 10.704 -2.315 1.00 0.00 O ATOM 1573 CB HIS A 103 -12.416 9.487 -5.039 1.00 0.00 C ATOM 1574 CG HIS A 103 -13.457 9.439 -6.130 1.00 0.00 C ATOM 1575 ND1 HIS A 103 -14.736 9.948 -6.066 1.00 0.00 N ATOM 1576 CD2 HIS A 103 -13.310 8.878 -7.370 1.00 0.00 C ATOM 1577 CE1 HIS A 103 -15.339 9.702 -7.242 1.00 0.00 C ATOM 1578 NE2 HIS A 103 -14.506 9.053 -8.075 1.00 0.00 N ATOM 0 H HIS A 103 -10.547 10.965 -6.185 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.860 11.524 -4.452 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.541 8.921 -5.357 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -12.809 8.993 -4.150 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -12.423 8.385 -7.740 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -16.352 9.986 -7.484 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -14.706 8.750 -9.028 1.00 0.00 H new ATOM 1586 N LEU A 104 -9.818 11.116 -3.470 1.00 0.00 N ATOM 1587 CA LEU A 104 -8.953 11.287 -2.299 1.00 0.00 C ATOM 1588 C LEU A 104 -9.503 12.400 -1.412 1.00 0.00 C ATOM 1589 O LEU A 104 -9.704 12.148 -0.205 1.00 0.00 O ATOM 1590 CB LEU A 104 -7.496 11.587 -2.698 1.00 0.00 C ATOM 1591 CG LEU A 104 -6.724 10.422 -3.346 1.00 0.00 C ATOM 1592 CD1 LEU A 104 -5.324 10.904 -3.740 1.00 0.00 C ATOM 1593 CD2 LEU A 104 -6.596 9.199 -2.429 1.00 0.00 C ATOM 1594 OXT LEU A 104 -9.725 13.521 -1.918 1.00 0.00 O ATOM 0 H LEU A 104 -9.318 11.176 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.948 10.348 -1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.495 12.428 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.954 11.906 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.294 10.108 -4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.773 10.084 -4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.409 11.727 -4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.793 11.245 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.042 8.414 -2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.065 9.480 -1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.589 8.832 -2.171 1.00 0.00 H new TER 1606 LEU A 104