USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 863 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 6 MET CE :methyl -111:sc= -0.37 (180deg=0) USER MOD Set 1.2: A 20 CYS SG : rot 180:sc= -0.167 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -140:sc= 0 USER MOD Single : A 4 CYS SG : rot -18:sc= 0.319 USER MOD Single : A 7 TYR OH : rot 160:sc= 1.1! USER MOD Single : A 8 ASN :FLIP amide:sc= -0.13 F(o=-0.94,f=-0.13) USER MOD Single : A 10 SER OG : rot 180:sc= -0.139 USER MOD Single : A 11 MET CE :methyl 169:sc= -0.332 (180deg=-0.524) USER MOD Single : A 14 SER OG : rot 34:sc= 0.625 USER MOD Single : A 15 HIS : no HE2:sc= -0.13 K(o=-0.13,f=-2!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -165:sc= 0 (180deg=-0.132) USER MOD Single : A 29 SER OG : rot -57:sc= 0.97 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.622 USER MOD Single : A 40 ASN :FLIP amide:sc= 0.525 F(o=-0.5,f=0.52) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0557 USER MOD Single : A 45 MET CE :methyl -141:sc= -0.142 (180deg=-1.76) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 57:sc= 0.322 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 71:sc= 0.111 USER MOD Single : A 71 ASN : amide:sc= -4.53 K(o=-4.5,f=-13!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc=-0.00094 USER MOD Single : A 80 SER OG : rot 85:sc= 0.341 USER MOD Single : A 82 SER OG : rot 180:sc= 0.275 USER MOD Single : A 87 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.4!) USER MOD Single : A 88 MET CE :methyl -128:sc= -1.05 (180deg=-4.89!) USER MOD Single : A 89 LYS NZ :NH3+ 159:sc= -0.108 (180deg=-0.492) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 80:sc= 1.03 USER MOD Single : A 98 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0729) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.3!) USER MOD Single : A 102 LYS NZ :NH3+ -126:sc= -0.523 (180deg=-0.903) USER MOD Single : A 105 LYS NZ :NH3+ 136:sc= 0.765 (180deg=-0.576!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.336 0.482 0.732 1.00 0.00 N ATOM 2 CA MET A 1 0.707 1.552 -0.186 1.00 0.00 C ATOM 3 C MET A 1 -0.064 1.435 -1.497 1.00 0.00 C ATOM 4 O MET A 1 0.400 0.806 -2.449 1.00 0.00 O ATOM 5 CB MET A 1 2.212 1.518 -0.461 1.00 0.00 C ATOM 6 CG MET A 1 2.794 2.874 -0.826 1.00 0.00 C ATOM 7 SD MET A 1 4.593 2.910 -0.716 1.00 0.00 S ATOM 8 CE MET A 1 4.819 3.290 1.019 1.00 0.00 C ATOM 0 H1 MET A 1 0.873 0.582 1.617 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.682 0.538 0.937 1.00 0.00 H new ATOM 0 H3 MET A 1 0.552 -0.438 0.298 1.00 0.00 H new ATOM 0 HA MET A 1 0.452 2.503 0.282 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.726 1.137 0.422 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.409 0.817 -1.272 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.491 3.134 -1.840 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.378 3.634 -0.164 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.884 3.346 1.243 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.349 4.247 1.246 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.361 2.508 1.625 1.00 0.00 H new ATOM 18 N THR A 2 -1.244 2.045 -1.541 1.00 0.00 N ATOM 19 CA THR A 2 -2.079 2.009 -2.735 1.00 0.00 C ATOM 20 C THR A 2 -1.682 3.103 -3.718 1.00 0.00 C ATOM 21 O THR A 2 -1.700 4.289 -3.384 1.00 0.00 O ATOM 22 CB THR A 2 -3.570 2.168 -2.382 1.00 0.00 C ATOM 23 OG1 THR A 2 -3.822 1.646 -1.073 1.00 0.00 O ATOM 24 CG2 THR A 2 -4.446 1.449 -3.397 1.00 0.00 C ATOM 0 H THR A 2 -1.643 2.570 -0.763 1.00 0.00 H new ATOM 0 HA THR A 2 -1.924 1.035 -3.199 1.00 0.00 H new ATOM 0 HB THR A 2 -3.814 3.230 -2.402 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.676 1.166 -1.071 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.494 1.575 -3.127 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.274 1.868 -4.388 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.198 0.387 -3.404 1.00 0.00 H new ATOM 32 N LEU A 3 -1.324 2.700 -4.932 1.00 0.00 N ATOM 33 CA LEU A 3 -0.922 3.648 -5.966 1.00 0.00 C ATOM 34 C LEU A 3 -2.141 4.227 -6.677 1.00 0.00 C ATOM 35 O LEU A 3 -2.797 3.542 -7.462 1.00 0.00 O ATOM 36 CB LEU A 3 -0.002 2.966 -6.980 1.00 0.00 C ATOM 37 CG LEU A 3 1.425 2.683 -6.508 1.00 0.00 C ATOM 38 CD1 LEU A 3 2.157 1.811 -7.516 1.00 0.00 C ATOM 39 CD2 LEU A 3 2.179 3.984 -6.278 1.00 0.00 C ATOM 0 H LEU A 3 -1.304 1.723 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.382 4.465 -5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.459 2.022 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.049 3.591 -7.872 1.00 0.00 H new ATOM 0 HG LEU A 3 1.374 2.144 -5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.171 1.620 -7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.628 0.865 -7.630 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.198 2.322 -8.478 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.192 3.763 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.220 4.550 -7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.666 4.573 -5.518 1.00 0.00 H new ATOM 51 N CYS A 4 -2.436 5.492 -6.398 1.00 0.00 N ATOM 52 CA CYS A 4 -3.575 6.164 -7.012 1.00 0.00 C ATOM 53 C CYS A 4 -3.121 7.376 -7.819 1.00 0.00 C ATOM 54 O CYS A 4 -2.014 7.881 -7.630 1.00 0.00 O ATOM 55 CB CYS A 4 -4.577 6.596 -5.940 1.00 0.00 C ATOM 56 SG CYS A 4 -3.864 7.622 -4.634 1.00 0.00 S ATOM 0 H CYS A 4 -1.902 6.072 -5.751 1.00 0.00 H new ATOM 0 HA CYS A 4 -4.059 5.460 -7.689 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.388 7.146 -6.417 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -5.017 5.706 -5.489 1.00 0.00 H new ATOM 0 HG CYS A 4 -2.570 7.493 -4.638 1.00 0.00 H new ATOM 62 N ALA A 5 -3.983 7.838 -8.719 1.00 0.00 N ATOM 63 CA ALA A 5 -3.671 8.991 -9.554 1.00 0.00 C ATOM 64 C ALA A 5 -4.755 10.058 -9.446 1.00 0.00 C ATOM 65 O ALA A 5 -5.944 9.744 -9.392 1.00 0.00 O ATOM 66 CB ALA A 5 -3.494 8.561 -11.003 1.00 0.00 C ATOM 0 H ALA A 5 -4.903 7.431 -8.888 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.736 9.423 -9.197 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.261 9.432 -11.615 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.679 7.841 -11.072 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.415 8.101 -11.361 1.00 0.00 H new ATOM 72 N MET A 6 -4.337 11.319 -9.413 1.00 0.00 N ATOM 73 CA MET A 6 -5.274 12.431 -9.311 1.00 0.00 C ATOM 74 C MET A 6 -5.596 12.999 -10.690 1.00 0.00 C ATOM 75 O MET A 6 -4.697 13.255 -11.492 1.00 0.00 O ATOM 76 CB MET A 6 -4.698 13.530 -8.416 1.00 0.00 C ATOM 77 CG MET A 6 -5.252 13.513 -7.000 1.00 0.00 C ATOM 78 SD MET A 6 -4.767 12.038 -6.083 1.00 0.00 S ATOM 79 CE MET A 6 -6.282 11.677 -5.197 1.00 0.00 C ATOM 0 H MET A 6 -3.356 11.596 -9.455 1.00 0.00 H new ATOM 0 HA MET A 6 -6.197 12.057 -8.867 1.00 0.00 H new ATOM 0 HB2 MET A 6 -3.614 13.423 -8.375 1.00 0.00 H new ATOM 0 HB3 MET A 6 -4.905 14.500 -8.867 1.00 0.00 H new ATOM 0 HG2 MET A 6 -4.904 14.398 -6.467 1.00 0.00 H new ATOM 0 HG3 MET A 6 -6.340 13.571 -7.039 1.00 0.00 H new ATOM 0 HE1 MET A 6 -6.134 11.861 -4.133 1.00 0.00 H new ATOM 0 HE2 MET A 6 -7.082 12.317 -5.568 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.553 10.632 -5.350 1.00 0.00 H new ATOM 89 N TYR A 7 -6.882 13.194 -10.959 1.00 0.00 N ATOM 90 CA TYR A 7 -7.321 13.729 -12.242 1.00 0.00 C ATOM 91 C TYR A 7 -8.376 14.815 -12.047 1.00 0.00 C ATOM 92 O TYR A 7 -9.525 14.527 -11.714 1.00 0.00 O ATOM 93 CB TYR A 7 -7.882 12.610 -13.120 1.00 0.00 C ATOM 94 CG TYR A 7 -7.730 12.868 -14.602 1.00 0.00 C ATOM 95 CD1 TYR A 7 -8.553 13.777 -15.257 1.00 0.00 C ATOM 96 CD2 TYR A 7 -6.765 12.203 -15.348 1.00 0.00 C ATOM 97 CE1 TYR A 7 -8.418 14.016 -16.611 1.00 0.00 C ATOM 98 CE2 TYR A 7 -6.621 12.437 -16.702 1.00 0.00 C ATOM 99 CZ TYR A 7 -7.450 13.344 -17.329 1.00 0.00 C ATOM 100 OH TYR A 7 -7.312 13.579 -18.677 1.00 0.00 O ATOM 0 H TYR A 7 -7.638 12.990 -10.306 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.457 14.171 -12.737 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.379 11.676 -12.869 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.939 12.475 -12.890 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.311 14.305 -14.698 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.116 11.490 -14.861 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.066 14.725 -17.105 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.864 11.913 -17.266 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.421 13.294 -18.969 1.00 0.00 H new ATOM 110 N ASN A 8 -7.975 16.064 -12.258 1.00 0.00 N ATOM 111 CA ASN A 8 -8.885 17.194 -12.106 1.00 0.00 C ATOM 112 C ASN A 8 -9.519 17.566 -13.443 1.00 0.00 C ATOM 113 O ASN A 8 -8.951 18.336 -14.218 1.00 0.00 O ATOM 114 CB ASN A 8 -8.141 18.400 -11.529 1.00 0.00 C ATOM 115 CG ASN A 8 -7.750 18.198 -10.078 1.00 0.00 C ATOM 116 OD1 ASN A 8 -8.743 18.171 -9.196 1.00 0.00 O flip ATOM 117 ND2 ASN A 8 -6.570 18.069 -9.753 1.00 0.00 N flip ATOM 0 H ASN A 8 -7.027 16.320 -12.534 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.677 16.900 -11.418 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.245 18.588 -12.121 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.770 19.286 -11.613 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.839 18.096 -10.464 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.323 17.935 -8.773 1.00 0.00 H new ATOM 124 N ILE A 9 -10.698 17.013 -13.706 1.00 0.00 N ATOM 125 CA ILE A 9 -11.410 17.288 -14.948 1.00 0.00 C ATOM 126 C ILE A 9 -12.500 18.334 -14.737 1.00 0.00 C ATOM 127 O ILE A 9 -13.311 18.224 -13.818 1.00 0.00 O ATOM 128 CB ILE A 9 -12.046 16.010 -15.526 1.00 0.00 C ATOM 129 CG1 ILE A 9 -12.694 16.306 -16.881 1.00 0.00 C ATOM 130 CG2 ILE A 9 -13.070 15.442 -14.555 1.00 0.00 C ATOM 131 CD1 ILE A 9 -13.335 15.094 -17.521 1.00 0.00 C ATOM 0 H ILE A 9 -11.180 16.372 -13.076 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.675 17.671 -15.656 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.263 15.266 -15.673 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.449 17.081 -16.752 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.938 16.707 -17.556 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.511 14.539 -14.978 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.581 15.200 -13.611 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.853 16.180 -14.379 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.774 15.377 -18.478 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.579 14.325 -17.682 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.114 14.705 -16.865 1.00 0.00 H new ATOM 143 N SER A 10 -12.512 19.349 -15.596 1.00 0.00 N ATOM 144 CA SER A 10 -13.501 20.417 -15.503 1.00 0.00 C ATOM 145 C SER A 10 -14.093 20.730 -16.874 1.00 0.00 C ATOM 146 O SER A 10 -13.410 20.636 -17.893 1.00 0.00 O ATOM 147 CB SER A 10 -12.867 21.677 -14.909 1.00 0.00 C ATOM 148 OG SER A 10 -11.789 21.349 -14.050 1.00 0.00 O ATOM 0 H SER A 10 -11.849 19.454 -16.364 1.00 0.00 H new ATOM 0 HA SER A 10 -14.304 20.079 -14.848 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.512 22.323 -15.712 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.619 22.240 -14.356 1.00 0.00 H new ATOM 0 HG SER A 10 -11.400 22.171 -13.685 1.00 0.00 H new ATOM 154 N MET A 11 -15.369 21.102 -16.889 1.00 0.00 N ATOM 155 CA MET A 11 -16.053 21.430 -18.134 1.00 0.00 C ATOM 156 C MET A 11 -16.454 22.901 -18.163 1.00 0.00 C ATOM 157 O MET A 11 -16.437 23.579 -17.136 1.00 0.00 O ATOM 158 CB MET A 11 -17.292 20.548 -18.307 1.00 0.00 C ATOM 159 CG MET A 11 -17.799 20.488 -19.739 1.00 0.00 C ATOM 160 SD MET A 11 -19.074 19.234 -19.971 1.00 0.00 S ATOM 161 CE MET A 11 -19.984 19.928 -21.349 1.00 0.00 C ATOM 0 H MET A 11 -15.949 21.184 -16.054 1.00 0.00 H new ATOM 0 HA MET A 11 -15.364 21.243 -18.958 1.00 0.00 H new ATOM 0 HB2 MET A 11 -17.059 19.538 -17.970 1.00 0.00 H new ATOM 0 HB3 MET A 11 -18.088 20.923 -17.664 1.00 0.00 H new ATOM 0 HG2 MET A 11 -18.198 21.463 -20.021 1.00 0.00 H new ATOM 0 HG3 MET A 11 -16.964 20.280 -20.408 1.00 0.00 H new ATOM 0 HE1 MET A 11 -20.680 19.184 -21.737 1.00 0.00 H new ATOM 0 HE2 MET A 11 -20.539 20.804 -21.014 1.00 0.00 H new ATOM 0 HE3 MET A 11 -19.288 20.219 -22.136 1.00 0.00 H new ATOM 171 N ALA A 12 -16.814 23.389 -19.346 1.00 0.00 N ATOM 172 CA ALA A 12 -17.220 24.779 -19.507 1.00 0.00 C ATOM 173 C ALA A 12 -18.294 25.159 -18.493 1.00 0.00 C ATOM 174 O ALA A 12 -19.386 24.593 -18.489 1.00 0.00 O ATOM 175 CB ALA A 12 -17.720 25.022 -20.923 1.00 0.00 C ATOM 0 H ALA A 12 -16.833 22.842 -20.207 1.00 0.00 H new ATOM 0 HA ALA A 12 -16.349 25.409 -19.327 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -18.020 26.065 -21.029 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.924 24.799 -21.633 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -18.575 24.376 -21.123 1.00 0.00 H new ATOM 181 N GLY A 13 -17.975 26.121 -17.632 1.00 0.00 N ATOM 182 CA GLY A 13 -18.923 26.559 -16.624 1.00 0.00 C ATOM 183 C GLY A 13 -19.276 25.458 -15.644 1.00 0.00 C ATOM 184 O GLY A 13 -20.451 25.154 -15.439 1.00 0.00 O ATOM 0 H GLY A 13 -17.077 26.605 -17.615 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -18.505 27.406 -16.080 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -19.831 26.912 -17.113 1.00 0.00 H new ATOM 188 N SER A 14 -18.257 24.859 -15.037 1.00 0.00 N ATOM 189 CA SER A 14 -18.465 23.782 -14.076 1.00 0.00 C ATOM 190 C SER A 14 -17.241 23.606 -13.183 1.00 0.00 C ATOM 191 O SER A 14 -16.111 23.531 -13.666 1.00 0.00 O ATOM 192 CB SER A 14 -18.771 22.472 -14.805 1.00 0.00 C ATOM 193 OG SER A 14 -20.162 22.326 -15.031 1.00 0.00 O ATOM 0 H SER A 14 -17.279 25.101 -15.194 1.00 0.00 H new ATOM 0 HA SER A 14 -19.315 24.048 -13.448 1.00 0.00 H new ATOM 0 HB2 SER A 14 -18.241 22.450 -15.757 1.00 0.00 H new ATOM 0 HB3 SER A 14 -18.405 21.631 -14.216 1.00 0.00 H new ATOM 0 HG SER A 14 -20.561 23.206 -15.194 1.00 0.00 H new ATOM 199 N HIS A 15 -17.474 23.541 -11.876 1.00 0.00 N ATOM 200 CA HIS A 15 -16.391 23.373 -10.913 1.00 0.00 C ATOM 201 C HIS A 15 -15.506 22.190 -11.292 1.00 0.00 C ATOM 202 O HIS A 15 -15.921 21.277 -12.006 1.00 0.00 O ATOM 203 CB HIS A 15 -16.957 23.173 -9.507 1.00 0.00 C ATOM 204 CG HIS A 15 -18.103 22.209 -9.454 1.00 0.00 C ATOM 205 ND1 HIS A 15 -18.097 20.997 -10.112 1.00 0.00 N ATOM 206 CD2 HIS A 15 -19.294 22.284 -8.815 1.00 0.00 C ATOM 207 CE1 HIS A 15 -19.236 20.369 -9.881 1.00 0.00 C ATOM 208 NE2 HIS A 15 -19.980 21.128 -9.097 1.00 0.00 N ATOM 0 H HIS A 15 -18.403 23.602 -11.459 1.00 0.00 H new ATOM 0 HA HIS A 15 -15.783 24.277 -10.926 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -16.162 22.816 -8.852 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -17.285 24.136 -9.116 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -17.333 20.641 -10.687 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -19.640 23.100 -8.199 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.512 19.399 -10.268 1.00 0.00 H new ATOM 216 N PRO A 16 -14.256 22.205 -10.804 1.00 0.00 N ATOM 217 CA PRO A 16 -13.287 21.141 -11.079 1.00 0.00 C ATOM 218 C PRO A 16 -13.648 19.834 -10.382 1.00 0.00 C ATOM 219 O PRO A 16 -13.881 19.806 -9.173 1.00 0.00 O ATOM 220 CB PRO A 16 -11.977 21.701 -10.519 1.00 0.00 C ATOM 221 CG PRO A 16 -12.398 22.670 -9.468 1.00 0.00 C ATOM 222 CD PRO A 16 -13.695 23.262 -9.946 1.00 0.00 C ATOM 0 HA PRO A 16 -13.243 20.895 -12.140 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.355 20.910 -10.101 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.391 22.190 -11.297 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.527 22.172 -8.507 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.644 23.444 -9.327 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.359 23.500 -9.115 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.535 24.187 -10.500 1.00 0.00 H new ATOM 230 N THR A 17 -13.693 18.750 -11.152 1.00 0.00 N ATOM 231 CA THR A 17 -14.026 17.440 -10.608 1.00 0.00 C ATOM 232 C THR A 17 -12.769 16.628 -10.319 1.00 0.00 C ATOM 233 O THR A 17 -11.986 16.333 -11.223 1.00 0.00 O ATOM 234 CB THR A 17 -14.927 16.645 -11.572 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.168 17.332 -11.762 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.192 15.246 -11.035 1.00 0.00 C ATOM 0 H THR A 17 -13.503 18.755 -12.154 1.00 0.00 H new ATOM 0 HA THR A 17 -14.565 17.612 -9.676 1.00 0.00 H new ATOM 0 HB THR A 17 -14.411 16.558 -12.528 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.734 16.821 -12.377 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.830 14.703 -11.732 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.247 14.715 -10.920 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.689 15.316 -10.067 1.00 0.00 H new ATOM 244 N THR A 18 -12.580 16.269 -9.053 1.00 0.00 N ATOM 245 CA THR A 18 -11.417 15.491 -8.645 1.00 0.00 C ATOM 246 C THR A 18 -11.688 13.995 -8.760 1.00 0.00 C ATOM 247 O THR A 18 -12.423 13.425 -7.955 1.00 0.00 O ATOM 248 CB THR A 18 -11.003 15.816 -7.197 1.00 0.00 C ATOM 249 OG1 THR A 18 -11.346 17.171 -6.883 1.00 0.00 O ATOM 250 CG2 THR A 18 -9.509 15.607 -7.001 1.00 0.00 C ATOM 0 H THR A 18 -13.218 16.505 -8.293 1.00 0.00 H new ATOM 0 HA THR A 18 -10.604 15.763 -9.318 1.00 0.00 H new ATOM 0 HB THR A 18 -11.538 15.141 -6.529 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.082 17.370 -5.961 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.241 15.843 -5.971 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.256 14.568 -7.213 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.958 16.260 -7.678 1.00 0.00 H new ATOM 258 N ILE A 19 -11.088 13.366 -9.765 1.00 0.00 N ATOM 259 CA ILE A 19 -11.264 11.936 -9.984 1.00 0.00 C ATOM 260 C ILE A 19 -10.004 11.163 -9.607 1.00 0.00 C ATOM 261 O ILE A 19 -8.900 11.513 -10.026 1.00 0.00 O ATOM 262 CB ILE A 19 -11.621 11.630 -11.450 1.00 0.00 C ATOM 263 CG1 ILE A 19 -12.696 12.598 -11.949 1.00 0.00 C ATOM 264 CG2 ILE A 19 -12.091 10.190 -11.592 1.00 0.00 C ATOM 265 CD1 ILE A 19 -13.081 12.380 -13.395 1.00 0.00 C ATOM 0 H ILE A 19 -10.476 13.824 -10.440 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.088 11.618 -9.345 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.728 11.762 -12.061 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.584 12.495 -11.325 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.338 13.620 -11.827 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.340 9.989 -12.634 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.297 9.515 -11.272 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.973 10.032 -10.972 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.847 13.101 -13.680 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.204 12.512 -14.029 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.470 11.369 -13.520 1.00 0.00 H new ATOM 277 N CYS A 20 -10.177 10.110 -8.816 1.00 0.00 N ATOM 278 CA CYS A 20 -9.054 9.286 -8.384 1.00 0.00 C ATOM 279 C CYS A 20 -9.042 7.952 -9.123 1.00 0.00 C ATOM 280 O CYS A 20 -9.918 7.112 -8.923 1.00 0.00 O ATOM 281 CB CYS A 20 -9.122 9.046 -6.875 1.00 0.00 C ATOM 282 SG CYS A 20 -9.407 10.543 -5.901 1.00 0.00 S ATOM 0 H CYS A 20 -11.084 9.807 -8.461 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.133 9.819 -8.619 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.920 8.333 -6.667 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.190 8.585 -6.549 1.00 0.00 H new ATOM 0 HG CYS A 20 -9.451 10.237 -4.638 1.00 0.00 H new ATOM 288 N VAL A 21 -8.042 7.766 -9.980 1.00 0.00 N ATOM 289 CA VAL A 21 -7.916 6.535 -10.750 1.00 0.00 C ATOM 290 C VAL A 21 -6.617 5.810 -10.418 1.00 0.00 C ATOM 291 O VAL A 21 -5.538 6.403 -10.441 1.00 0.00 O ATOM 292 CB VAL A 21 -7.963 6.813 -12.264 1.00 0.00 C ATOM 293 CG1 VAL A 21 -8.033 5.509 -13.045 1.00 0.00 C ATOM 294 CG2 VAL A 21 -9.143 7.711 -12.604 1.00 0.00 C ATOM 0 H VAL A 21 -7.308 8.452 -10.158 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.761 5.903 -10.478 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.047 7.331 -12.549 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.066 5.726 -14.113 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.153 4.905 -12.824 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.931 4.961 -12.759 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.161 7.897 -13.678 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.070 7.222 -12.305 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.044 8.658 -12.073 1.00 0.00 H new ATOM 304 N VAL A 22 -6.726 4.521 -10.109 1.00 0.00 N ATOM 305 CA VAL A 22 -5.560 3.713 -9.773 1.00 0.00 C ATOM 306 C VAL A 22 -4.479 3.838 -10.841 1.00 0.00 C ATOM 307 O VAL A 22 -4.778 3.981 -12.027 1.00 0.00 O ATOM 308 CB VAL A 22 -5.935 2.228 -9.608 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.516 1.677 -10.901 1.00 0.00 C ATOM 310 CG2 VAL A 22 -4.723 1.419 -9.171 1.00 0.00 C ATOM 0 H VAL A 22 -7.611 4.014 -10.085 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.175 4.090 -8.825 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.697 2.147 -8.832 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.775 0.627 -10.765 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.411 2.240 -11.167 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.779 1.769 -11.699 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.005 0.372 -9.059 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.938 1.505 -9.922 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.356 1.800 -8.218 1.00 0.00 H new ATOM 320 N MET A 23 -3.223 3.782 -10.413 1.00 0.00 N ATOM 321 CA MET A 23 -2.096 3.887 -11.333 1.00 0.00 C ATOM 322 C MET A 23 -2.193 2.834 -12.432 1.00 0.00 C ATOM 323 O MET A 23 -1.861 3.097 -13.588 1.00 0.00 O ATOM 324 CB MET A 23 -0.776 3.732 -10.577 1.00 0.00 C ATOM 325 CG MET A 23 0.441 4.148 -11.387 1.00 0.00 C ATOM 326 SD MET A 23 1.167 2.776 -12.305 1.00 0.00 S ATOM 327 CE MET A 23 2.833 3.383 -12.558 1.00 0.00 C ATOM 0 H MET A 23 -2.959 3.664 -9.435 1.00 0.00 H new ATOM 0 HA MET A 23 -2.127 4.874 -11.795 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.817 4.328 -9.666 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.661 2.692 -10.272 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.156 4.936 -12.084 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.191 4.570 -10.718 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.325 2.786 -13.326 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.796 4.425 -12.877 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.393 3.308 -11.626 1.00 0.00 H new ATOM 337 N ASP A 24 -2.648 1.641 -12.064 1.00 0.00 N ATOM 338 CA ASP A 24 -2.789 0.548 -13.020 1.00 0.00 C ATOM 339 C ASP A 24 -3.819 0.892 -14.091 1.00 0.00 C ATOM 340 O ASP A 24 -3.876 0.250 -15.140 1.00 0.00 O ATOM 341 CB ASP A 24 -3.194 -0.738 -12.299 1.00 0.00 C ATOM 342 CG ASP A 24 -2.843 -1.982 -13.092 1.00 0.00 C ATOM 343 OD1 ASP A 24 -2.204 -1.846 -14.157 1.00 0.00 O ATOM 344 OD2 ASP A 24 -3.206 -3.091 -12.648 1.00 0.00 O ATOM 0 H ASP A 24 -2.925 1.406 -11.111 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.825 0.395 -13.505 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.700 -0.778 -11.328 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.267 -0.722 -12.110 1.00 0.00 H new ATOM 349 N ARG A 25 -4.632 1.907 -13.819 1.00 0.00 N ATOM 350 CA ARG A 25 -5.661 2.335 -14.758 1.00 0.00 C ATOM 351 C ARG A 25 -5.435 3.780 -15.192 1.00 0.00 C ATOM 352 O ARG A 25 -6.349 4.441 -15.686 1.00 0.00 O ATOM 353 CB ARG A 25 -7.048 2.192 -14.128 1.00 0.00 C ATOM 354 CG ARG A 25 -7.434 0.753 -13.824 1.00 0.00 C ATOM 355 CD ARG A 25 -8.809 0.669 -13.181 1.00 0.00 C ATOM 356 NE ARG A 25 -9.269 -0.711 -13.051 1.00 0.00 N ATOM 357 CZ ARG A 25 -10.486 -1.044 -12.636 1.00 0.00 C ATOM 358 NH1 ARG A 25 -11.361 -0.101 -12.312 1.00 0.00 N ATOM 359 NH2 ARG A 25 -10.831 -2.322 -12.545 1.00 0.00 N ATOM 0 H ARG A 25 -4.598 2.449 -12.955 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.601 1.696 -15.639 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.080 2.770 -13.205 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.789 2.624 -14.800 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.426 0.171 -14.745 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.693 0.309 -13.160 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.778 1.135 -12.196 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.524 1.235 -13.779 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.620 -1.460 -13.292 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.100 0.883 -12.381 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.295 -0.360 -11.994 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.161 -3.050 -12.794 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.766 -2.576 -12.226 1.00 0.00 H new ATOM 373 N PHE A 26 -4.212 4.264 -15.005 1.00 0.00 N ATOM 374 CA PHE A 26 -3.865 5.631 -15.375 1.00 0.00 C ATOM 375 C PHE A 26 -4.042 5.849 -16.875 1.00 0.00 C ATOM 376 O PHE A 26 -4.776 6.742 -17.302 1.00 0.00 O ATOM 377 CB PHE A 26 -2.423 5.943 -14.969 1.00 0.00 C ATOM 378 CG PHE A 26 -2.216 7.366 -14.536 1.00 0.00 C ATOM 379 CD1 PHE A 26 -2.914 8.397 -15.143 1.00 0.00 C ATOM 380 CD2 PHE A 26 -1.324 7.672 -13.521 1.00 0.00 C ATOM 381 CE1 PHE A 26 -2.725 9.707 -14.746 1.00 0.00 C ATOM 382 CE2 PHE A 26 -1.131 8.980 -13.120 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.833 9.999 -13.733 1.00 0.00 C ATOM 0 H PHE A 26 -3.444 3.729 -14.599 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.537 6.306 -14.845 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.131 5.278 -14.156 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.763 5.728 -15.809 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.614 8.175 -15.935 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.773 6.879 -13.038 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.275 10.502 -15.228 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.432 9.205 -12.328 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.685 11.022 -13.421 1.00 0.00 H new ATOM 393 N LEU A 27 -3.364 5.029 -17.670 1.00 0.00 N ATOM 394 CA LEU A 27 -3.444 5.131 -19.123 1.00 0.00 C ATOM 395 C LEU A 27 -4.877 4.925 -19.605 1.00 0.00 C ATOM 396 O LEU A 27 -5.406 5.731 -20.369 1.00 0.00 O ATOM 397 CB LEU A 27 -2.520 4.103 -19.778 1.00 0.00 C ATOM 398 CG LEU A 27 -2.574 4.029 -21.305 1.00 0.00 C ATOM 399 CD1 LEU A 27 -2.355 5.406 -21.913 1.00 0.00 C ATOM 400 CD2 LEU A 27 -1.540 3.043 -21.827 1.00 0.00 C ATOM 0 H LEU A 27 -2.752 4.286 -17.333 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.124 6.132 -19.411 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.495 4.324 -19.481 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.763 3.119 -19.378 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.563 3.677 -21.599 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.397 5.335 -23.000 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.132 6.086 -21.564 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.379 5.786 -21.611 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.592 3.003 -22.915 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.544 3.365 -21.523 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.742 2.053 -21.417 1.00 0.00 H new ATOM 412 N GLU A 28 -5.498 3.840 -19.151 1.00 0.00 N ATOM 413 CA GLU A 28 -6.870 3.530 -19.536 1.00 0.00 C ATOM 414 C GLU A 28 -7.791 4.717 -19.272 1.00 0.00 C ATOM 415 O GLU A 28 -8.540 5.143 -20.152 1.00 0.00 O ATOM 416 CB GLU A 28 -7.371 2.302 -18.772 1.00 0.00 C ATOM 417 CG GLU A 28 -8.491 1.560 -19.481 1.00 0.00 C ATOM 418 CD GLU A 28 -7.977 0.585 -20.523 1.00 0.00 C ATOM 419 OE1 GLU A 28 -6.848 0.787 -21.017 1.00 0.00 O ATOM 420 OE2 GLU A 28 -8.703 -0.379 -20.844 1.00 0.00 O ATOM 0 H GLU A 28 -5.073 3.163 -18.518 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.881 3.315 -20.605 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.537 1.618 -18.613 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.719 2.614 -17.788 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.086 1.019 -18.745 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.154 2.281 -19.959 1.00 0.00 H new ATOM 427 N SER A 29 -7.730 5.248 -18.055 1.00 0.00 N ATOM 428 CA SER A 29 -8.561 6.383 -17.674 1.00 0.00 C ATOM 429 C SER A 29 -8.331 7.564 -18.612 1.00 0.00 C ATOM 430 O SER A 29 -9.280 8.170 -19.110 1.00 0.00 O ATOM 431 CB SER A 29 -8.265 6.798 -16.231 1.00 0.00 C ATOM 432 OG SER A 29 -7.002 7.434 -16.133 1.00 0.00 O ATOM 0 H SER A 29 -7.113 4.910 -17.316 1.00 0.00 H new ATOM 0 HA SER A 29 -9.605 6.079 -17.750 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.044 7.473 -15.876 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.285 5.920 -15.585 1.00 0.00 H new ATOM 0 HG SER A 29 -6.306 6.834 -16.475 1.00 0.00 H new ATOM 438 N PHE A 30 -7.064 7.886 -18.848 1.00 0.00 N ATOM 439 CA PHE A 30 -6.708 8.995 -19.725 1.00 0.00 C ATOM 440 C PHE A 30 -7.220 8.754 -21.142 1.00 0.00 C ATOM 441 O PHE A 30 -7.735 9.665 -21.791 1.00 0.00 O ATOM 442 CB PHE A 30 -5.190 9.189 -19.746 1.00 0.00 C ATOM 443 CG PHE A 30 -4.763 10.520 -20.298 1.00 0.00 C ATOM 444 CD1 PHE A 30 -5.405 11.684 -19.907 1.00 0.00 C ATOM 445 CD2 PHE A 30 -3.721 10.606 -21.207 1.00 0.00 C ATOM 446 CE1 PHE A 30 -5.014 12.910 -20.412 1.00 0.00 C ATOM 447 CE2 PHE A 30 -3.326 11.829 -21.715 1.00 0.00 C ATOM 448 CZ PHE A 30 -3.974 12.982 -21.318 1.00 0.00 C ATOM 0 H PHE A 30 -6.266 7.395 -18.444 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.178 9.898 -19.336 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.804 9.085 -18.732 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.739 8.396 -20.342 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.220 11.633 -19.200 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.212 9.707 -21.522 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.521 13.810 -20.098 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.511 11.883 -22.422 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.668 13.939 -21.715 1.00 0.00 H new ATOM 458 N SER A 31 -7.075 7.521 -21.616 1.00 0.00 N ATOM 459 CA SER A 31 -7.519 7.160 -22.957 1.00 0.00 C ATOM 460 C SER A 31 -9.013 7.419 -23.123 1.00 0.00 C ATOM 461 O SER A 31 -9.444 8.016 -24.109 1.00 0.00 O ATOM 462 CB SER A 31 -7.210 5.688 -23.241 1.00 0.00 C ATOM 463 OG SER A 31 -7.714 5.297 -24.506 1.00 0.00 O ATOM 0 H SER A 31 -6.653 6.755 -21.091 1.00 0.00 H new ATOM 0 HA SER A 31 -6.979 7.782 -23.671 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.132 5.527 -23.209 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.649 5.064 -22.462 1.00 0.00 H new ATOM 0 HG SER A 31 -7.503 4.353 -24.665 1.00 0.00 H new ATOM 469 N GLU A 32 -9.798 6.965 -22.150 1.00 0.00 N ATOM 470 CA GLU A 32 -11.244 7.147 -22.189 1.00 0.00 C ATOM 471 C GLU A 32 -11.612 8.619 -22.022 1.00 0.00 C ATOM 472 O GLU A 32 -12.596 9.092 -22.591 1.00 0.00 O ATOM 473 CB GLU A 32 -11.914 6.315 -21.093 1.00 0.00 C ATOM 474 CG GLU A 32 -12.294 4.913 -21.539 1.00 0.00 C ATOM 475 CD GLU A 32 -11.162 4.203 -22.257 1.00 0.00 C ATOM 476 OE1 GLU A 32 -10.273 3.659 -21.569 1.00 0.00 O ATOM 477 OE2 GLU A 32 -11.166 4.192 -23.505 1.00 0.00 O ATOM 0 H GLU A 32 -9.457 6.469 -21.326 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.601 6.809 -23.162 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.241 6.245 -20.239 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.810 6.834 -20.751 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.592 4.327 -20.669 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.160 4.968 -22.198 1.00 0.00 H new ATOM 484 N LEU A 33 -10.815 9.336 -21.239 1.00 0.00 N ATOM 485 CA LEU A 33 -11.056 10.755 -20.996 1.00 0.00 C ATOM 486 C LEU A 33 -10.924 11.558 -22.286 1.00 0.00 C ATOM 487 O LEU A 33 -11.747 12.427 -22.575 1.00 0.00 O ATOM 488 CB LEU A 33 -10.076 11.286 -19.948 1.00 0.00 C ATOM 489 CG LEU A 33 -10.542 12.506 -19.152 1.00 0.00 C ATOM 490 CD1 LEU A 33 -10.728 13.704 -20.070 1.00 0.00 C ATOM 491 CD2 LEU A 33 -11.833 12.195 -18.408 1.00 0.00 C ATOM 0 H LEU A 33 -9.996 8.959 -20.761 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.074 10.867 -20.623 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.854 10.482 -19.246 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.141 11.539 -20.449 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.774 12.753 -18.419 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.060 14.562 -19.486 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.782 13.940 -20.556 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.476 13.470 -20.827 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.150 13.074 -17.847 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.609 11.922 -19.124 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.666 11.366 -17.720 1.00 0.00 H new ATOM 503 N TYR A 34 -9.886 11.260 -23.059 1.00 0.00 N ATOM 504 CA TYR A 34 -9.646 11.955 -24.318 1.00 0.00 C ATOM 505 C TYR A 34 -10.833 11.794 -25.263 1.00 0.00 C ATOM 506 O TYR A 34 -11.023 12.594 -26.180 1.00 0.00 O ATOM 507 CB TYR A 34 -8.375 11.424 -24.984 1.00 0.00 C ATOM 508 CG TYR A 34 -8.180 11.919 -26.399 1.00 0.00 C ATOM 509 CD1 TYR A 34 -8.100 13.278 -26.676 1.00 0.00 C ATOM 510 CD2 TYR A 34 -8.076 11.028 -27.460 1.00 0.00 C ATOM 511 CE1 TYR A 34 -7.923 13.735 -27.967 1.00 0.00 C ATOM 512 CE2 TYR A 34 -7.897 11.475 -28.754 1.00 0.00 C ATOM 513 CZ TYR A 34 -7.822 12.830 -29.003 1.00 0.00 C ATOM 514 OH TYR A 34 -7.644 13.281 -30.291 1.00 0.00 O ATOM 0 H TYR A 34 -9.197 10.542 -22.836 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.518 13.015 -24.100 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.512 11.715 -24.384 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.406 10.334 -24.990 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.178 13.990 -25.867 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.136 9.967 -27.269 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.864 14.795 -28.164 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.816 10.768 -29.567 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.591 12.516 -30.901 1.00 0.00 H new ATOM 524 N ASP A 35 -11.628 10.756 -25.032 1.00 0.00 N ATOM 525 CA ASP A 35 -12.799 10.490 -25.861 1.00 0.00 C ATOM 526 C ASP A 35 -14.019 11.237 -25.333 1.00 0.00 C ATOM 527 O ASP A 35 -14.609 12.057 -26.036 1.00 0.00 O ATOM 528 CB ASP A 35 -13.085 8.988 -25.909 1.00 0.00 C ATOM 529 CG ASP A 35 -12.773 8.382 -27.263 1.00 0.00 C ATOM 530 OD1 ASP A 35 -13.321 8.871 -28.272 1.00 0.00 O ATOM 531 OD2 ASP A 35 -11.980 7.418 -27.312 1.00 0.00 O ATOM 0 H ASP A 35 -11.484 10.084 -24.278 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.588 10.844 -26.870 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.494 8.484 -25.144 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.134 8.813 -25.669 1.00 0.00 H new ATOM 536 N ILE A 36 -14.393 10.947 -24.091 1.00 0.00 N ATOM 537 CA ILE A 36 -15.543 11.591 -23.469 1.00 0.00 C ATOM 538 C ILE A 36 -15.402 13.109 -23.493 1.00 0.00 C ATOM 539 O ILE A 36 -16.389 13.833 -23.628 1.00 0.00 O ATOM 540 CB ILE A 36 -15.730 11.126 -22.013 1.00 0.00 C ATOM 541 CG1 ILE A 36 -16.997 11.743 -21.416 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.512 11.494 -21.179 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.309 11.251 -20.020 1.00 0.00 C ATOM 0 H ILE A 36 -13.916 10.270 -23.496 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.419 11.301 -24.049 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.838 10.041 -22.005 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.888 12.827 -21.394 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.842 11.521 -22.068 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.659 11.159 -20.152 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.627 11.012 -21.595 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.376 12.575 -21.192 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.220 11.730 -19.660 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.451 10.170 -20.038 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.482 11.497 -19.354 1.00 0.00 H new ATOM 555 N ILE A 37 -14.168 13.585 -23.362 1.00 0.00 N ATOM 556 CA ILE A 37 -13.897 15.017 -23.371 1.00 0.00 C ATOM 557 C ILE A 37 -14.170 15.620 -24.744 1.00 0.00 C ATOM 558 O ILE A 37 -14.465 16.809 -24.865 1.00 0.00 O ATOM 559 CB ILE A 37 -12.440 15.317 -22.971 1.00 0.00 C ATOM 560 CG1 ILE A 37 -12.272 16.804 -22.650 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.490 14.899 -24.083 1.00 0.00 C ATOM 562 CD1 ILE A 37 -12.321 17.112 -21.170 1.00 0.00 C ATOM 0 H ILE A 37 -13.340 13.000 -23.248 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.566 15.469 -22.639 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.198 14.742 -22.077 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.320 17.149 -23.053 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.056 17.367 -23.156 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.464 15.117 -23.786 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.595 13.830 -24.268 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.729 15.450 -24.992 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.195 18.184 -21.017 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.283 16.798 -20.765 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.520 16.576 -20.660 1.00 0.00 H new ATOM 574 N ASP A 38 -14.072 14.791 -25.778 1.00 0.00 N ATOM 575 CA ASP A 38 -14.311 15.241 -27.144 1.00 0.00 C ATOM 576 C ASP A 38 -15.766 15.659 -27.332 1.00 0.00 C ATOM 577 O ASP A 38 -16.080 16.473 -28.200 1.00 0.00 O ATOM 578 CB ASP A 38 -13.954 14.134 -28.138 1.00 0.00 C ATOM 579 CG ASP A 38 -14.030 14.602 -29.578 1.00 0.00 C ATOM 580 OD1 ASP A 38 -13.643 15.759 -29.847 1.00 0.00 O ATOM 581 OD2 ASP A 38 -14.478 13.813 -30.436 1.00 0.00 O ATOM 0 H ASP A 38 -13.829 13.804 -25.696 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.676 16.107 -27.331 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -12.947 13.773 -27.929 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -14.630 13.291 -27.997 1.00 0.00 H new ATOM 586 N GLU A 39 -16.649 15.096 -26.512 1.00 0.00 N ATOM 587 CA GLU A 39 -18.071 15.411 -26.590 1.00 0.00 C ATOM 588 C GLU A 39 -18.519 16.210 -25.370 1.00 0.00 C ATOM 589 O GLU A 39 -17.886 16.162 -24.316 1.00 0.00 O ATOM 590 CB GLU A 39 -18.894 14.126 -26.702 1.00 0.00 C ATOM 591 CG GLU A 39 -20.215 14.311 -27.431 1.00 0.00 C ATOM 592 CD GLU A 39 -20.045 14.384 -28.936 1.00 0.00 C ATOM 593 OE1 GLU A 39 -18.887 14.402 -29.403 1.00 0.00 O ATOM 594 OE2 GLU A 39 -21.071 14.422 -29.646 1.00 0.00 O ATOM 0 H GLU A 39 -16.405 14.421 -25.787 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.235 16.018 -27.480 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -18.304 13.371 -27.222 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -19.092 13.743 -25.701 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -20.881 13.484 -27.184 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -20.696 15.224 -27.079 1.00 0.00 H new ATOM 601 N ASN A 40 -19.615 16.947 -25.522 1.00 0.00 N ATOM 602 CA ASN A 40 -20.148 17.758 -24.434 1.00 0.00 C ATOM 603 C ASN A 40 -21.188 16.980 -23.634 1.00 0.00 C ATOM 604 O ASN A 40 -22.303 17.455 -23.419 1.00 0.00 O ATOM 605 CB ASN A 40 -20.768 19.043 -24.985 1.00 0.00 C ATOM 606 CG ASN A 40 -21.733 18.777 -26.125 1.00 0.00 C ATOM 607 OD1 ASN A 40 -21.359 19.198 -27.327 1.00 0.00 O flip ATOM 608 ND2 ASN A 40 -22.802 18.199 -25.926 1.00 0.00 N flip ATOM 0 H ASN A 40 -20.151 16.999 -26.388 1.00 0.00 H new ATOM 0 HA ASN A 40 -19.324 18.016 -23.769 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -21.292 19.563 -24.183 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -19.975 19.706 -25.331 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -23.049 17.893 -24.985 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -23.441 18.027 -26.702 1.00 0.00 H new ATOM 615 N ASP A 41 -20.815 15.782 -23.197 1.00 0.00 N ATOM 616 CA ASP A 41 -21.714 14.938 -22.419 1.00 0.00 C ATOM 617 C ASP A 41 -21.581 15.232 -20.928 1.00 0.00 C ATOM 618 O ASP A 41 -20.626 14.801 -20.281 1.00 0.00 O ATOM 619 CB ASP A 41 -21.423 13.461 -22.689 1.00 0.00 C ATOM 620 CG ASP A 41 -22.034 12.979 -23.990 1.00 0.00 C ATOM 621 OD1 ASP A 41 -22.473 13.831 -24.790 1.00 0.00 O ATOM 622 OD2 ASP A 41 -22.074 11.749 -24.207 1.00 0.00 O ATOM 0 H ASP A 41 -19.896 15.374 -23.368 1.00 0.00 H new ATOM 0 HA ASP A 41 -22.736 15.160 -22.725 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -20.345 13.306 -22.718 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -21.810 12.861 -21.865 1.00 0.00 H new ATOM 627 N THR A 42 -22.546 15.969 -20.387 1.00 0.00 N ATOM 628 CA THR A 42 -22.536 16.323 -18.973 1.00 0.00 C ATOM 629 C THR A 42 -23.159 15.219 -18.126 1.00 0.00 C ATOM 630 O THR A 42 -22.757 15.000 -16.982 1.00 0.00 O ATOM 631 CB THR A 42 -23.293 17.640 -18.717 1.00 0.00 C ATOM 632 OG1 THR A 42 -24.342 17.796 -19.679 1.00 0.00 O ATOM 633 CG2 THR A 42 -22.349 18.830 -18.792 1.00 0.00 C ATOM 0 H THR A 42 -23.345 16.332 -20.907 1.00 0.00 H new ATOM 0 HA THR A 42 -21.492 16.452 -18.687 1.00 0.00 H new ATOM 0 HB THR A 42 -23.721 17.599 -17.716 1.00 0.00 H new ATOM 0 HG1 THR A 42 -24.820 18.635 -19.509 1.00 0.00 H new ATOM 0 HG21 THR A 42 -22.906 19.749 -18.608 1.00 0.00 H new ATOM 0 HG22 THR A 42 -21.568 18.723 -18.040 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.896 18.873 -19.782 1.00 0.00 H new ATOM 641 N ASP A 43 -24.140 14.527 -18.693 1.00 0.00 N ATOM 642 CA ASP A 43 -24.818 13.444 -17.990 1.00 0.00 C ATOM 643 C ASP A 43 -23.908 12.225 -17.864 1.00 0.00 C ATOM 644 O ASP A 43 -24.063 11.413 -16.952 1.00 0.00 O ATOM 645 CB ASP A 43 -26.106 13.061 -18.720 1.00 0.00 C ATOM 646 CG ASP A 43 -27.166 12.523 -17.779 1.00 0.00 C ATOM 647 OD1 ASP A 43 -27.024 11.369 -17.323 1.00 0.00 O ATOM 648 OD2 ASP A 43 -28.139 13.255 -17.499 1.00 0.00 O ATOM 0 H ASP A 43 -24.484 14.696 -19.638 1.00 0.00 H new ATOM 0 HA ASP A 43 -25.068 13.794 -16.988 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -26.497 13.934 -19.243 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.881 12.310 -19.477 1.00 0.00 H new ATOM 653 N VAL A 44 -22.960 12.103 -18.787 1.00 0.00 N ATOM 654 CA VAL A 44 -22.025 10.984 -18.780 1.00 0.00 C ATOM 655 C VAL A 44 -20.886 11.226 -17.797 1.00 0.00 C ATOM 656 O VAL A 44 -20.245 10.285 -17.331 1.00 0.00 O ATOM 657 CB VAL A 44 -21.436 10.736 -20.181 1.00 0.00 C ATOM 658 CG1 VAL A 44 -20.445 9.582 -20.147 1.00 0.00 C ATOM 659 CG2 VAL A 44 -22.546 10.467 -21.186 1.00 0.00 C ATOM 0 H VAL A 44 -22.819 12.765 -19.550 1.00 0.00 H new ATOM 0 HA VAL A 44 -22.588 10.103 -18.470 1.00 0.00 H new ATOM 0 HB VAL A 44 -20.902 11.633 -20.496 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -20.039 9.421 -21.146 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -19.633 9.820 -19.459 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -20.952 8.677 -19.811 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -22.111 10.294 -22.171 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -23.110 9.586 -20.878 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -23.213 11.328 -21.230 1.00 0.00 H new ATOM 669 N MET A 45 -20.640 12.494 -17.485 1.00 0.00 N ATOM 670 CA MET A 45 -19.578 12.860 -16.555 1.00 0.00 C ATOM 671 C MET A 45 -19.721 12.101 -15.240 1.00 0.00 C ATOM 672 O MET A 45 -18.774 11.471 -14.770 1.00 0.00 O ATOM 673 CB MET A 45 -19.597 14.367 -16.292 1.00 0.00 C ATOM 674 CG MET A 45 -18.953 15.186 -17.399 1.00 0.00 C ATOM 675 SD MET A 45 -17.169 14.941 -17.494 1.00 0.00 S ATOM 676 CE MET A 45 -16.644 15.667 -15.943 1.00 0.00 C ATOM 0 H MET A 45 -21.161 13.285 -17.862 1.00 0.00 H new ATOM 0 HA MET A 45 -18.624 12.590 -17.008 1.00 0.00 H new ATOM 0 HB2 MET A 45 -20.630 14.692 -16.165 1.00 0.00 H new ATOM 0 HB3 MET A 45 -19.081 14.570 -15.354 1.00 0.00 H new ATOM 0 HG2 MET A 45 -19.404 14.918 -18.354 1.00 0.00 H new ATOM 0 HG3 MET A 45 -19.163 16.243 -17.233 1.00 0.00 H new ATOM 0 HE1 MET A 45 -15.715 16.216 -16.094 1.00 0.00 H new ATOM 0 HE2 MET A 45 -17.414 16.349 -15.582 1.00 0.00 H new ATOM 0 HE3 MET A 45 -16.484 14.878 -15.208 1.00 0.00 H new ATOM 686 N MET A 46 -20.911 12.164 -14.652 1.00 0.00 N ATOM 687 CA MET A 46 -21.177 11.481 -13.392 1.00 0.00 C ATOM 688 C MET A 46 -20.915 9.984 -13.518 1.00 0.00 C ATOM 689 O MET A 46 -20.087 9.426 -12.798 1.00 0.00 O ATOM 690 CB MET A 46 -22.623 11.722 -12.952 1.00 0.00 C ATOM 691 CG MET A 46 -22.917 11.240 -11.540 1.00 0.00 C ATOM 692 SD MET A 46 -22.097 12.238 -10.282 1.00 0.00 S ATOM 693 CE MET A 46 -23.305 12.175 -8.960 1.00 0.00 C ATOM 0 H MET A 46 -21.706 12.681 -15.028 1.00 0.00 H new ATOM 0 HA MET A 46 -20.502 11.887 -12.638 1.00 0.00 H new ATOM 0 HB2 MET A 46 -22.841 12.788 -13.016 1.00 0.00 H new ATOM 0 HB3 MET A 46 -23.294 11.217 -13.647 1.00 0.00 H new ATOM 0 HG2 MET A 46 -23.993 11.260 -11.370 1.00 0.00 H new ATOM 0 HG3 MET A 46 -22.598 10.202 -11.440 1.00 0.00 H new ATOM 0 HE1 MET A 46 -22.941 12.748 -8.107 1.00 0.00 H new ATOM 0 HE2 MET A 46 -24.247 12.599 -9.307 1.00 0.00 H new ATOM 0 HE3 MET A 46 -23.462 11.139 -8.660 1.00 0.00 H new ATOM 703 N ASP A 47 -21.624 9.339 -14.438 1.00 0.00 N ATOM 704 CA ASP A 47 -21.467 7.907 -14.659 1.00 0.00 C ATOM 705 C ASP A 47 -19.999 7.547 -14.870 1.00 0.00 C ATOM 706 O ASP A 47 -19.536 6.498 -14.423 1.00 0.00 O ATOM 707 CB ASP A 47 -22.292 7.462 -15.867 1.00 0.00 C ATOM 708 CG ASP A 47 -23.683 6.999 -15.480 1.00 0.00 C ATOM 709 OD1 ASP A 47 -23.791 5.996 -14.743 1.00 0.00 O ATOM 710 OD2 ASP A 47 -24.663 7.640 -15.912 1.00 0.00 O ATOM 0 H ASP A 47 -22.313 9.786 -15.043 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.827 7.386 -13.771 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -22.371 8.288 -16.574 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.772 6.653 -16.380 1.00 0.00 H new ATOM 715 N PHE A 48 -19.273 8.425 -15.555 1.00 0.00 N ATOM 716 CA PHE A 48 -17.858 8.199 -15.827 1.00 0.00 C ATOM 717 C PHE A 48 -17.042 8.249 -14.539 1.00 0.00 C ATOM 718 O PHE A 48 -16.258 7.344 -14.253 1.00 0.00 O ATOM 719 CB PHE A 48 -17.335 9.242 -16.817 1.00 0.00 C ATOM 720 CG PHE A 48 -15.839 9.243 -16.951 1.00 0.00 C ATOM 721 CD1 PHE A 48 -15.197 8.273 -17.704 1.00 0.00 C ATOM 722 CD2 PHE A 48 -15.075 10.215 -16.326 1.00 0.00 C ATOM 723 CE1 PHE A 48 -13.821 8.272 -17.829 1.00 0.00 C ATOM 724 CE2 PHE A 48 -13.698 10.219 -16.447 1.00 0.00 C ATOM 725 CZ PHE A 48 -13.070 9.246 -17.200 1.00 0.00 C ATOM 0 H PHE A 48 -19.641 9.299 -15.931 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.751 7.207 -16.265 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.779 9.058 -17.795 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.664 10.231 -16.498 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.779 7.509 -18.199 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.561 10.979 -15.737 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.333 7.510 -18.418 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.114 10.982 -15.954 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.994 9.247 -17.297 1.00 0.00 H new ATOM 735 N ILE A 49 -17.231 9.313 -13.767 1.00 0.00 N ATOM 736 CA ILE A 49 -16.513 9.481 -12.509 1.00 0.00 C ATOM 737 C ILE A 49 -16.711 8.275 -11.598 1.00 0.00 C ATOM 738 O ILE A 49 -15.760 7.776 -10.996 1.00 0.00 O ATOM 739 CB ILE A 49 -16.968 10.752 -11.767 1.00 0.00 C ATOM 740 CG1 ILE A 49 -16.720 11.990 -12.631 1.00 0.00 C ATOM 741 CG2 ILE A 49 -16.244 10.875 -10.435 1.00 0.00 C ATOM 742 CD1 ILE A 49 -17.726 13.097 -12.404 1.00 0.00 C ATOM 0 H ILE A 49 -17.875 10.072 -13.990 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.456 9.575 -12.758 1.00 0.00 H new ATOM 0 HB ILE A 49 -18.038 10.678 -11.571 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.720 12.372 -12.426 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -16.742 11.700 -13.682 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.576 11.778 -9.922 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.467 10.005 -9.818 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.169 10.931 -10.609 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.488 13.943 -13.050 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.727 12.733 -12.637 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.689 13.414 -11.362 1.00 0.00 H new ATOM 754 N SER A 50 -17.953 7.810 -11.501 1.00 0.00 N ATOM 755 CA SER A 50 -18.276 6.663 -10.661 1.00 0.00 C ATOM 756 C SER A 50 -17.817 5.364 -11.316 1.00 0.00 C ATOM 757 O SER A 50 -17.507 4.388 -10.633 1.00 0.00 O ATOM 758 CB SER A 50 -19.782 6.609 -10.394 1.00 0.00 C ATOM 759 OG SER A 50 -20.102 5.562 -9.494 1.00 0.00 O ATOM 0 H SER A 50 -18.751 8.210 -11.994 1.00 0.00 H new ATOM 0 HA SER A 50 -17.750 6.777 -9.713 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.116 7.561 -9.983 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.316 6.462 -11.333 1.00 0.00 H new ATOM 0 HG SER A 50 -21.069 5.549 -9.338 1.00 0.00 H new ATOM 765 N ARG A 51 -17.777 5.360 -12.644 1.00 0.00 N ATOM 766 CA ARG A 51 -17.358 4.181 -13.393 1.00 0.00 C ATOM 767 C ARG A 51 -15.881 3.881 -13.152 1.00 0.00 C ATOM 768 O ARG A 51 -15.506 2.742 -12.872 1.00 0.00 O ATOM 769 CB ARG A 51 -17.611 4.383 -14.888 1.00 0.00 C ATOM 770 CG ARG A 51 -18.932 3.804 -15.366 1.00 0.00 C ATOM 771 CD ARG A 51 -18.819 2.313 -15.646 1.00 0.00 C ATOM 772 NE ARG A 51 -18.386 2.045 -17.014 1.00 0.00 N ATOM 773 CZ ARG A 51 -17.927 0.867 -17.423 1.00 0.00 C ATOM 774 NH1 ARG A 51 -17.841 -0.146 -16.571 1.00 0.00 N ATOM 775 NH2 ARG A 51 -17.552 0.701 -18.684 1.00 0.00 N ATOM 0 H ARG A 51 -18.030 6.160 -13.224 1.00 0.00 H new ATOM 0 HA ARG A 51 -17.946 3.332 -13.044 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -17.590 5.450 -15.110 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -16.798 3.924 -15.451 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -19.700 3.976 -14.612 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -19.251 4.322 -16.270 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -18.112 1.866 -14.948 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -19.784 1.837 -15.471 1.00 0.00 H new ATOM 0 HE ARG A 51 -18.439 2.804 -17.693 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -18.127 -0.021 -15.600 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.488 -1.050 -16.887 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.616 1.478 -19.342 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.200 -0.204 -18.996 1.00 0.00 H new ATOM 789 N PHE A 52 -15.048 4.910 -13.263 1.00 0.00 N ATOM 790 CA PHE A 52 -13.612 4.756 -13.058 1.00 0.00 C ATOM 791 C PHE A 52 -13.255 4.894 -11.581 1.00 0.00 C ATOM 792 O PHE A 52 -12.625 4.012 -10.999 1.00 0.00 O ATOM 793 CB PHE A 52 -12.845 5.795 -13.879 1.00 0.00 C ATOM 794 CG PHE A 52 -12.382 5.282 -15.213 1.00 0.00 C ATOM 795 CD1 PHE A 52 -11.201 4.566 -15.322 1.00 0.00 C ATOM 796 CD2 PHE A 52 -13.127 5.516 -16.357 1.00 0.00 C ATOM 797 CE1 PHE A 52 -10.771 4.092 -16.547 1.00 0.00 C ATOM 798 CE2 PHE A 52 -12.703 5.045 -17.585 1.00 0.00 C ATOM 799 CZ PHE A 52 -11.524 4.333 -17.681 1.00 0.00 C ATOM 0 H PHE A 52 -15.342 5.859 -13.494 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.328 3.758 -13.390 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.482 6.666 -14.035 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.980 6.131 -13.308 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.609 4.376 -14.439 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -14.050 6.073 -16.288 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.849 3.535 -16.618 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.294 5.234 -18.469 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.191 3.965 -18.640 1.00 0.00 H new ATOM 809 N ALA A 53 -13.663 6.008 -10.982 1.00 0.00 N ATOM 810 CA ALA A 53 -13.388 6.262 -9.573 1.00 0.00 C ATOM 811 C ALA A 53 -14.385 5.533 -8.679 1.00 0.00 C ATOM 812 O ALA A 53 -15.485 6.026 -8.430 1.00 0.00 O ATOM 813 CB ALA A 53 -13.417 7.757 -9.290 1.00 0.00 C ATOM 0 H ALA A 53 -14.185 6.749 -11.450 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.392 5.880 -9.349 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.210 7.932 -8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.661 8.257 -9.895 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.401 8.155 -9.537 1.00 0.00 H new ATOM 819 N ARG A 54 -13.994 4.357 -8.200 1.00 0.00 N ATOM 820 CA ARG A 54 -14.855 3.559 -7.335 1.00 0.00 C ATOM 821 C ARG A 54 -14.897 4.140 -5.925 1.00 0.00 C ATOM 822 O ARG A 54 -13.861 4.476 -5.348 1.00 0.00 O ATOM 823 CB ARG A 54 -14.365 2.111 -7.288 1.00 0.00 C ATOM 824 CG ARG A 54 -12.906 1.974 -6.883 1.00 0.00 C ATOM 825 CD ARG A 54 -12.548 0.530 -6.571 1.00 0.00 C ATOM 826 NE ARG A 54 -12.372 -0.265 -7.783 1.00 0.00 N ATOM 827 CZ ARG A 54 -12.132 -1.572 -7.777 1.00 0.00 C ATOM 828 NH1 ARG A 54 -12.040 -2.227 -6.628 1.00 0.00 N ATOM 829 NH2 ARG A 54 -11.984 -2.226 -8.922 1.00 0.00 N ATOM 0 H ARG A 54 -13.086 3.935 -8.396 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.863 3.580 -7.748 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.982 1.550 -6.586 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.505 1.657 -8.269 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.268 2.343 -7.686 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.710 2.596 -6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.630 0.503 -5.984 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.332 0.087 -5.958 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.437 0.209 -8.684 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.154 -1.728 -5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.856 -3.230 -6.626 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.054 -1.726 -9.808 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.800 -3.229 -8.916 1.00 0.00 H new ATOM 843 N THR A 55 -16.101 4.256 -5.373 1.00 0.00 N ATOM 844 CA THR A 55 -16.278 4.797 -4.032 1.00 0.00 C ATOM 845 C THR A 55 -15.990 3.741 -2.970 1.00 0.00 C ATOM 846 O THR A 55 -16.869 3.377 -2.189 1.00 0.00 O ATOM 847 CB THR A 55 -17.706 5.337 -3.828 1.00 0.00 C ATOM 848 OG1 THR A 55 -18.661 4.295 -4.054 1.00 0.00 O ATOM 849 CG2 THR A 55 -17.984 6.500 -4.769 1.00 0.00 C ATOM 0 H THR A 55 -16.968 3.982 -5.835 1.00 0.00 H new ATOM 0 HA THR A 55 -15.568 5.618 -3.926 1.00 0.00 H new ATOM 0 HB THR A 55 -17.793 5.692 -2.801 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.468 3.540 -3.460 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.998 6.865 -4.607 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.274 7.304 -4.574 1.00 0.00 H new ATOM 0 HG23 THR A 55 -17.879 6.166 -5.801 1.00 0.00 H new ATOM 857 N ASP A 56 -14.754 3.254 -2.947 1.00 0.00 N ATOM 858 CA ASP A 56 -14.350 2.241 -1.980 1.00 0.00 C ATOM 859 C ASP A 56 -13.833 2.888 -0.699 1.00 0.00 C ATOM 860 O ASP A 56 -13.810 2.260 0.359 1.00 0.00 O ATOM 861 CB ASP A 56 -13.274 1.334 -2.578 1.00 0.00 C ATOM 862 CG ASP A 56 -13.287 -0.057 -1.975 1.00 0.00 C ATOM 863 OD1 ASP A 56 -14.188 -0.848 -2.327 1.00 0.00 O ATOM 864 OD2 ASP A 56 -12.397 -0.355 -1.152 1.00 0.00 O ATOM 0 H ASP A 56 -14.015 3.545 -3.587 1.00 0.00 H new ATOM 0 HA ASP A 56 -15.225 1.640 -1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.422 1.261 -3.655 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.294 1.785 -2.421 1.00 0.00 H new ATOM 869 N GLU A 57 -13.417 4.146 -0.804 1.00 0.00 N ATOM 870 CA GLU A 57 -12.898 4.877 0.347 1.00 0.00 C ATOM 871 C GLU A 57 -11.665 4.185 0.919 1.00 0.00 C ATOM 872 O GLU A 57 -11.723 3.570 1.985 1.00 0.00 O ATOM 873 CB GLU A 57 -13.974 5.002 1.427 1.00 0.00 C ATOM 874 CG GLU A 57 -14.810 6.265 1.311 1.00 0.00 C ATOM 875 CD GLU A 57 -16.233 6.071 1.798 1.00 0.00 C ATOM 876 OE1 GLU A 57 -16.411 5.730 2.986 1.00 0.00 O ATOM 877 OE2 GLU A 57 -17.168 6.258 0.991 1.00 0.00 O ATOM 0 H GLU A 57 -13.429 4.680 -1.673 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.612 5.874 0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.632 4.135 1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.497 4.981 2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.339 7.062 1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.827 6.590 0.271 1.00 0.00 H new ATOM 884 N ILE A 58 -10.550 4.289 0.204 1.00 0.00 N ATOM 885 CA ILE A 58 -9.302 3.674 0.641 1.00 0.00 C ATOM 886 C ILE A 58 -8.571 4.564 1.640 1.00 0.00 C ATOM 887 O ILE A 58 -8.636 5.790 1.558 1.00 0.00 O ATOM 888 CB ILE A 58 -8.370 3.384 -0.550 1.00 0.00 C ATOM 889 CG1 ILE A 58 -9.100 2.553 -1.607 1.00 0.00 C ATOM 890 CG2 ILE A 58 -7.115 2.666 -0.078 1.00 0.00 C ATOM 891 CD1 ILE A 58 -8.332 2.412 -2.902 1.00 0.00 C ATOM 0 H ILE A 58 -10.485 4.793 -0.680 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.566 2.732 1.123 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.075 4.332 -1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -9.300 1.561 -1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.066 3.013 -1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.466 2.468 -0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.587 3.291 0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.391 1.723 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.910 1.811 -3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.155 3.399 -3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -7.377 1.924 -2.707 1.00 0.00 H new ATOM 903 N MET A 59 -7.873 3.938 2.582 1.00 0.00 N ATOM 904 CA MET A 59 -7.126 4.674 3.595 1.00 0.00 C ATOM 905 C MET A 59 -6.219 5.718 2.951 1.00 0.00 C ATOM 906 O MET A 59 -5.843 5.613 1.784 1.00 0.00 O ATOM 907 CB MET A 59 -6.293 3.712 4.445 1.00 0.00 C ATOM 908 CG MET A 59 -5.558 2.661 3.628 1.00 0.00 C ATOM 909 SD MET A 59 -4.378 1.717 4.612 1.00 0.00 S ATOM 910 CE MET A 59 -5.015 0.056 4.403 1.00 0.00 C ATOM 0 H MET A 59 -7.809 2.923 2.665 1.00 0.00 H new ATOM 0 HA MET A 59 -7.842 5.187 4.237 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.567 4.285 5.022 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.947 3.213 5.160 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.283 1.979 3.184 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.033 3.147 2.806 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.389 -0.646 4.955 1.00 0.00 H new ATOM 0 HE2 MET A 59 -6.036 0.007 4.782 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.008 -0.206 3.345 1.00 0.00 H new ATOM 920 N PRO A 60 -5.858 6.750 3.728 1.00 0.00 N ATOM 921 CA PRO A 60 -4.991 7.832 3.254 1.00 0.00 C ATOM 922 C PRO A 60 -3.555 7.370 3.033 1.00 0.00 C ATOM 923 O PRO A 60 -2.736 8.102 2.478 1.00 0.00 O ATOM 924 CB PRO A 60 -5.053 8.859 4.387 1.00 0.00 C ATOM 925 CG PRO A 60 -5.389 8.064 5.601 1.00 0.00 C ATOM 926 CD PRO A 60 -6.269 6.939 5.130 1.00 0.00 C ATOM 0 HA PRO A 60 -5.316 8.221 2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.101 9.377 4.504 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.808 9.620 4.191 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -4.487 7.680 6.078 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.903 8.679 6.340 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.116 6.035 5.719 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.326 7.195 5.208 1.00 0.00 H new ATOM 934 N GLU A 61 -3.257 6.150 3.470 1.00 0.00 N ATOM 935 CA GLU A 61 -1.918 5.591 3.319 1.00 0.00 C ATOM 936 C GLU A 61 -1.510 5.546 1.850 1.00 0.00 C ATOM 937 O GLU A 61 -0.322 5.553 1.524 1.00 0.00 O ATOM 938 CB GLU A 61 -1.858 4.185 3.920 1.00 0.00 C ATOM 939 CG GLU A 61 -2.067 4.157 5.425 1.00 0.00 C ATOM 940 CD GLU A 61 -1.000 4.929 6.177 1.00 0.00 C ATOM 941 OE1 GLU A 61 0.198 4.664 5.946 1.00 0.00 O ATOM 942 OE2 GLU A 61 -1.364 5.798 6.996 1.00 0.00 O ATOM 0 H GLU A 61 -3.924 5.531 3.931 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.220 6.236 3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.617 3.563 3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.890 3.741 3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.046 4.575 5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.071 3.122 5.768 1.00 0.00 H new ATOM 949 N ASP A 62 -2.502 5.499 0.967 1.00 0.00 N ATOM 950 CA ASP A 62 -2.247 5.454 -0.468 1.00 0.00 C ATOM 951 C ASP A 62 -1.303 6.576 -0.888 1.00 0.00 C ATOM 952 O ASP A 62 -1.251 7.629 -0.253 1.00 0.00 O ATOM 953 CB ASP A 62 -3.560 5.558 -1.244 1.00 0.00 C ATOM 954 CG ASP A 62 -4.269 6.877 -1.009 1.00 0.00 C ATOM 955 OD1 ASP A 62 -3.707 7.927 -1.385 1.00 0.00 O ATOM 956 OD2 ASP A 62 -5.385 6.861 -0.449 1.00 0.00 O ATOM 0 H ASP A 62 -3.490 5.491 1.220 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.773 4.500 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.359 5.442 -2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.217 4.739 -0.952 1.00 0.00 H new ATOM 961 N LYS A 63 -0.556 6.343 -1.962 1.00 0.00 N ATOM 962 CA LYS A 63 0.387 7.333 -2.469 1.00 0.00 C ATOM 963 C LYS A 63 0.009 7.771 -3.880 1.00 0.00 C ATOM 964 O LYS A 63 -0.551 6.995 -4.654 1.00 0.00 O ATOM 965 CB LYS A 63 1.807 6.765 -2.462 1.00 0.00 C ATOM 966 CG LYS A 63 2.858 7.747 -2.951 1.00 0.00 C ATOM 967 CD LYS A 63 4.264 7.244 -2.673 1.00 0.00 C ATOM 968 CE LYS A 63 5.276 8.380 -2.691 1.00 0.00 C ATOM 969 NZ LYS A 63 5.807 8.627 -4.060 1.00 0.00 N ATOM 0 H LYS A 63 -0.586 5.476 -2.499 1.00 0.00 H new ATOM 0 HA LYS A 63 0.348 8.204 -1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.059 6.451 -1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.836 5.873 -3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.734 7.910 -4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.712 8.710 -2.463 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.289 6.748 -1.703 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.539 6.498 -3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.808 9.289 -2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.101 8.143 -2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.493 9.408 -4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.276 7.767 -4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.024 8.878 -4.696 1.00 0.00 H new ATOM 983 N THR A 64 0.322 9.021 -4.211 1.00 0.00 N ATOM 984 CA THR A 64 0.016 9.562 -5.529 1.00 0.00 C ATOM 985 C THR A 64 1.029 9.089 -6.566 1.00 0.00 C ATOM 986 O THR A 64 2.213 8.934 -6.266 1.00 0.00 O ATOM 987 CB THR A 64 -0.005 11.102 -5.513 1.00 0.00 C ATOM 988 OG1 THR A 64 0.461 11.585 -4.248 1.00 0.00 O ATOM 989 CG2 THR A 64 -1.408 11.627 -5.776 1.00 0.00 C ATOM 0 H THR A 64 0.787 9.677 -3.584 1.00 0.00 H new ATOM 0 HA THR A 64 -0.974 9.196 -5.799 1.00 0.00 H new ATOM 0 HB THR A 64 0.654 11.460 -6.304 1.00 0.00 H new ATOM 0 HG1 THR A 64 1.425 11.425 -4.172 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.398 12.717 -5.760 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.749 11.282 -6.752 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.085 11.259 -5.005 1.00 0.00 H new ATOM 997 N VAL A 65 0.556 8.863 -7.787 1.00 0.00 N ATOM 998 CA VAL A 65 1.421 8.409 -8.870 1.00 0.00 C ATOM 999 C VAL A 65 1.473 9.434 -9.997 1.00 0.00 C ATOM 1000 O VAL A 65 2.164 9.239 -10.996 1.00 0.00 O ATOM 1001 CB VAL A 65 0.947 7.059 -9.439 1.00 0.00 C ATOM 1002 CG1 VAL A 65 0.839 6.021 -8.333 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -0.382 7.223 -10.160 1.00 0.00 C ATOM 0 H VAL A 65 -0.421 8.987 -8.051 1.00 0.00 H new ATOM 0 HA VAL A 65 2.419 8.286 -8.448 1.00 0.00 H new ATOM 0 HB VAL A 65 1.685 6.709 -10.161 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.503 5.074 -8.755 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.814 5.884 -7.866 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.123 6.360 -7.585 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.702 6.259 -10.556 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.131 7.596 -9.462 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.266 7.932 -10.980 1.00 0.00 H new ATOM 1013 N GLY A 66 0.737 10.529 -9.830 1.00 0.00 N ATOM 1014 CA GLY A 66 0.713 11.569 -10.841 1.00 0.00 C ATOM 1015 C GLY A 66 -0.528 12.435 -10.753 1.00 0.00 C ATOM 1016 O GLY A 66 -1.544 12.021 -10.196 1.00 0.00 O ATOM 0 H GLY A 66 0.157 10.714 -9.012 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.598 12.196 -10.734 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.764 11.112 -11.829 1.00 0.00 H new ATOM 1020 N PHE A 67 -0.445 13.642 -11.304 1.00 0.00 N ATOM 1021 CA PHE A 67 -1.570 14.570 -11.283 1.00 0.00 C ATOM 1022 C PHE A 67 -1.843 15.124 -12.678 1.00 0.00 C ATOM 1023 O PHE A 67 -0.945 15.649 -13.337 1.00 0.00 O ATOM 1024 CB PHE A 67 -1.292 15.718 -10.310 1.00 0.00 C ATOM 1025 CG PHE A 67 -0.827 15.260 -8.958 1.00 0.00 C ATOM 1026 CD1 PHE A 67 0.508 14.969 -8.732 1.00 0.00 C ATOM 1027 CD2 PHE A 67 -1.726 15.120 -7.912 1.00 0.00 C ATOM 1028 CE1 PHE A 67 0.939 14.545 -7.489 1.00 0.00 C ATOM 1029 CE2 PHE A 67 -1.301 14.698 -6.667 1.00 0.00 C ATOM 1030 CZ PHE A 67 0.033 14.411 -6.454 1.00 0.00 C ATOM 0 H PHE A 67 0.389 14.000 -11.770 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.453 14.026 -10.949 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.536 16.374 -10.742 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.199 16.311 -10.192 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.221 15.075 -9.536 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.770 15.343 -8.072 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.982 14.319 -7.327 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.012 14.593 -5.861 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.367 14.083 -5.481 1.00 0.00 H new ATOM 1040 N VAL A 68 -3.090 15.004 -13.122 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.484 15.493 -14.438 1.00 0.00 C ATOM 1042 C VAL A 68 -4.499 16.624 -14.323 1.00 0.00 C ATOM 1043 O VAL A 68 -5.638 16.412 -13.908 1.00 0.00 O ATOM 1044 CB VAL A 68 -4.084 14.365 -15.299 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.524 14.904 -16.652 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -3.082 13.233 -15.467 1.00 0.00 C ATOM 0 H VAL A 68 -3.845 14.572 -12.589 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.581 15.867 -14.920 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.962 13.969 -14.789 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.945 14.094 -17.247 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.278 15.678 -16.508 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.665 15.327 -17.172 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.522 12.445 -16.078 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.184 13.611 -15.955 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.821 12.830 -14.488 1.00 0.00 H new ATOM 1056 N VAL A 69 -4.077 17.830 -14.693 1.00 0.00 N ATOM 1057 CA VAL A 69 -4.950 18.996 -14.634 1.00 0.00 C ATOM 1058 C VAL A 69 -5.632 19.242 -15.974 1.00 0.00 C ATOM 1059 O VAL A 69 -4.976 19.541 -16.972 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.169 20.261 -14.228 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -5.118 21.431 -14.023 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.350 20.001 -12.973 1.00 0.00 C ATOM 0 H VAL A 69 -3.136 18.024 -15.036 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.707 18.786 -13.879 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.483 20.518 -15.035 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.549 22.315 -13.737 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.656 21.630 -14.950 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.831 21.188 -13.235 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.805 20.905 -12.701 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.015 19.718 -12.157 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.643 19.193 -13.161 1.00 0.00 H new ATOM 1072 N VAL A 70 -6.955 19.113 -15.991 1.00 0.00 N ATOM 1073 CA VAL A 70 -7.728 19.322 -17.210 1.00 0.00 C ATOM 1074 C VAL A 70 -8.975 20.155 -16.933 1.00 0.00 C ATOM 1075 O VAL A 70 -9.863 19.734 -16.193 1.00 0.00 O ATOM 1076 CB VAL A 70 -8.149 17.983 -17.845 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -9.064 18.221 -19.036 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -6.924 17.180 -18.254 1.00 0.00 C ATOM 0 H VAL A 70 -7.514 18.865 -15.175 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.083 19.858 -17.906 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.702 17.406 -17.103 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.351 17.264 -19.471 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.957 18.753 -18.708 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.541 18.817 -19.783 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.240 16.237 -18.701 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.342 17.748 -18.979 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.311 16.978 -17.375 1.00 0.00 H new ATOM 1088 N ASN A 71 -9.034 21.339 -17.534 1.00 0.00 N ATOM 1089 CA ASN A 71 -10.172 22.232 -17.352 1.00 0.00 C ATOM 1090 C ASN A 71 -10.615 22.827 -18.685 1.00 0.00 C ATOM 1091 O ASN A 71 -9.828 23.464 -19.384 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.817 23.354 -16.374 1.00 0.00 C ATOM 1093 CG ASN A 71 -8.470 23.981 -16.679 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -8.315 24.693 -17.671 1.00 0.00 O ATOM 1095 ND2 ASN A 71 -7.489 23.720 -15.823 1.00 0.00 N ATOM 0 H ASN A 71 -8.307 21.702 -18.151 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.996 21.649 -16.942 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.589 24.122 -16.411 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.809 22.958 -15.358 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.561 24.116 -15.975 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.663 23.124 -15.014 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.881 22.614 -19.030 1.00 0.00 N ATOM 1103 CA ALA A 72 -12.430 23.131 -20.278 1.00 0.00 C ATOM 1104 C ALA A 72 -12.600 24.645 -20.217 1.00 0.00 C ATOM 1105 O ALA A 72 -12.417 25.341 -21.216 1.00 0.00 O ATOM 1106 CB ALA A 72 -13.760 22.460 -20.587 1.00 0.00 C ATOM 0 H ALA A 72 -12.545 22.087 -18.463 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.726 22.903 -21.078 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.159 22.855 -21.521 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.611 21.384 -20.682 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.464 22.659 -19.779 1.00 0.00 H new ATOM 1112 N ASP A 73 -12.953 25.149 -19.040 1.00 0.00 N ATOM 1113 CA ASP A 73 -13.148 26.582 -18.849 1.00 0.00 C ATOM 1114 C ASP A 73 -11.943 27.367 -19.359 1.00 0.00 C ATOM 1115 O ASP A 73 -12.083 28.279 -20.174 1.00 0.00 O ATOM 1116 CB ASP A 73 -13.386 26.893 -17.370 1.00 0.00 C ATOM 1117 CG ASP A 73 -13.170 28.358 -17.045 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -13.893 29.205 -17.611 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -12.278 28.658 -16.224 1.00 0.00 O ATOM 0 H ASP A 73 -13.110 24.587 -18.203 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.025 26.884 -19.422 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.404 26.610 -17.101 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.716 26.286 -16.762 1.00 0.00 H new ATOM 1124 N LYS A 74 -10.760 27.007 -18.873 1.00 0.00 N ATOM 1125 CA LYS A 74 -9.530 27.677 -19.279 1.00 0.00 C ATOM 1126 C LYS A 74 -8.792 26.864 -20.339 1.00 0.00 C ATOM 1127 O LYS A 74 -7.626 27.124 -20.634 1.00 0.00 O ATOM 1128 CB LYS A 74 -8.622 27.899 -18.068 1.00 0.00 C ATOM 1129 CG LYS A 74 -9.052 29.062 -17.190 1.00 0.00 C ATOM 1130 CD LYS A 74 -8.516 30.384 -17.714 1.00 0.00 C ATOM 1131 CE LYS A 74 -8.759 31.514 -16.726 1.00 0.00 C ATOM 1132 NZ LYS A 74 -10.145 32.050 -16.824 1.00 0.00 N ATOM 0 H LYS A 74 -10.627 26.255 -18.197 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.797 28.643 -19.707 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.602 26.989 -17.468 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.604 28.074 -18.415 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.140 29.102 -17.145 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.696 28.902 -16.172 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.447 30.293 -17.909 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.994 30.621 -18.664 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.580 31.155 -15.713 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.045 32.317 -16.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.270 32.818 -16.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.309 32.416 -17.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.826 31.290 -16.623 1.00 0.00 H new ATOM 1146 N LYS A 75 -9.480 25.881 -20.908 1.00 0.00 N ATOM 1147 CA LYS A 75 -8.892 25.031 -21.937 1.00 0.00 C ATOM 1148 C LYS A 75 -7.442 24.697 -21.603 1.00 0.00 C ATOM 1149 O LYS A 75 -6.539 24.932 -22.408 1.00 0.00 O ATOM 1150 CB LYS A 75 -8.967 25.721 -23.301 1.00 0.00 C ATOM 1151 CG LYS A 75 -8.314 27.092 -23.326 1.00 0.00 C ATOM 1152 CD LYS A 75 -8.305 27.679 -24.728 1.00 0.00 C ATOM 1153 CE LYS A 75 -8.208 29.197 -24.695 1.00 0.00 C ATOM 1154 NZ LYS A 75 -7.825 29.757 -26.021 1.00 0.00 N ATOM 0 H LYS A 75 -10.446 25.653 -20.674 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.461 24.102 -21.975 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.488 25.086 -24.047 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.013 25.821 -23.591 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.848 27.763 -22.653 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.292 27.016 -22.956 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.464 27.272 -25.289 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.213 27.382 -25.254 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.166 29.616 -24.387 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.474 29.498 -23.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.769 30.794 -25.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.899 29.377 -26.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.539 29.492 -26.729 1.00 0.00 H new ATOM 1168 N LEU A 76 -7.225 24.148 -20.414 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.883 23.780 -19.974 1.00 0.00 C ATOM 1170 C LEU A 76 -5.742 22.265 -19.865 1.00 0.00 C ATOM 1171 O LEU A 76 -6.616 21.588 -19.324 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.570 24.431 -18.626 1.00 0.00 C ATOM 1173 CG LEU A 76 -5.842 25.933 -18.527 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -5.575 26.431 -17.115 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -4.992 26.696 -19.533 1.00 0.00 C ATOM 0 H LEU A 76 -7.961 23.947 -19.736 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.172 24.140 -20.718 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.153 23.925 -17.857 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.519 24.256 -18.396 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.892 26.109 -18.760 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.774 27.501 -17.063 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.226 25.907 -16.415 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.534 26.242 -16.853 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.198 27.763 -19.449 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.937 26.513 -19.330 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.231 26.359 -20.542 1.00 0.00 H new ATOM 1187 N MET A 77 -4.635 21.740 -20.381 1.00 0.00 N ATOM 1188 CA MET A 77 -4.378 20.305 -20.338 1.00 0.00 C ATOM 1189 C MET A 77 -2.950 20.022 -19.885 1.00 0.00 C ATOM 1190 O MET A 77 -1.990 20.389 -20.563 1.00 0.00 O ATOM 1191 CB MET A 77 -4.623 19.681 -21.713 1.00 0.00 C ATOM 1192 CG MET A 77 -6.092 19.620 -22.101 1.00 0.00 C ATOM 1193 SD MET A 77 -6.680 21.157 -22.837 1.00 0.00 S ATOM 1194 CE MET A 77 -8.449 20.882 -22.830 1.00 0.00 C ATOM 0 H MET A 77 -3.902 22.287 -20.833 1.00 0.00 H new ATOM 0 HA MET A 77 -5.063 19.859 -19.617 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.081 20.255 -22.465 1.00 0.00 H new ATOM 0 HB3 MET A 77 -4.211 18.672 -21.723 1.00 0.00 H new ATOM 0 HG2 MET A 77 -6.244 18.803 -22.806 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.688 19.394 -21.217 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.954 21.749 -23.257 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.682 19.998 -23.423 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.790 20.732 -21.806 1.00 0.00 H new ATOM 1204 N SER A 78 -2.817 19.368 -18.736 1.00 0.00 N ATOM 1205 CA SER A 78 -1.505 19.039 -18.190 1.00 0.00 C ATOM 1206 C SER A 78 -1.501 17.636 -17.592 1.00 0.00 C ATOM 1207 O SER A 78 -2.327 17.311 -16.738 1.00 0.00 O ATOM 1208 CB SER A 78 -1.101 20.061 -17.126 1.00 0.00 C ATOM 1209 OG SER A 78 -1.209 21.384 -17.622 1.00 0.00 O ATOM 0 H SER A 78 -3.602 19.055 -18.165 1.00 0.00 H new ATOM 0 HA SER A 78 -0.782 19.069 -19.005 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.736 19.946 -16.247 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.076 19.872 -16.806 1.00 0.00 H new ATOM 0 HG SER A 78 -0.947 22.018 -16.922 1.00 0.00 H new ATOM 1215 N VAL A 79 -0.566 16.808 -18.046 1.00 0.00 N ATOM 1216 CA VAL A 79 -0.453 15.440 -17.556 1.00 0.00 C ATOM 1217 C VAL A 79 0.865 15.227 -16.819 1.00 0.00 C ATOM 1218 O VAL A 79 1.932 15.195 -17.432 1.00 0.00 O ATOM 1219 CB VAL A 79 -0.555 14.421 -18.706 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -1.997 14.282 -19.170 1.00 0.00 C ATOM 1221 CG2 VAL A 79 0.348 14.829 -19.860 1.00 0.00 C ATOM 0 H VAL A 79 0.125 17.061 -18.753 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.282 15.282 -16.866 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.222 13.450 -18.339 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.049 13.558 -19.983 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.615 13.941 -18.340 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.361 15.248 -19.520 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.264 14.098 -20.664 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.047 15.810 -20.228 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.381 14.872 -19.516 1.00 0.00 H new ATOM 1231 N SER A 80 0.783 15.082 -15.500 1.00 0.00 N ATOM 1232 CA SER A 80 1.970 14.876 -14.679 1.00 0.00 C ATOM 1233 C SER A 80 2.061 13.427 -14.210 1.00 0.00 C ATOM 1234 O SER A 80 1.420 13.036 -13.234 1.00 0.00 O ATOM 1235 CB SER A 80 1.949 15.814 -13.470 1.00 0.00 C ATOM 1236 OG SER A 80 1.462 17.096 -13.828 1.00 0.00 O ATOM 0 H SER A 80 -0.093 15.103 -14.978 1.00 0.00 H new ATOM 0 HA SER A 80 2.846 15.099 -15.288 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.322 15.389 -12.687 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.954 15.905 -13.059 1.00 0.00 H new ATOM 0 HG SER A 80 0.482 17.093 -13.800 1.00 0.00 H new ATOM 1242 N PHE A 81 2.862 12.634 -14.914 1.00 0.00 N ATOM 1243 CA PHE A 81 3.038 11.227 -14.572 1.00 0.00 C ATOM 1244 C PHE A 81 4.341 11.011 -13.808 1.00 0.00 C ATOM 1245 O PHE A 81 5.384 11.552 -14.174 1.00 0.00 O ATOM 1246 CB PHE A 81 3.027 10.367 -15.837 1.00 0.00 C ATOM 1247 CG PHE A 81 1.648 10.108 -16.375 1.00 0.00 C ATOM 1248 CD1 PHE A 81 0.824 11.160 -16.739 1.00 0.00 C ATOM 1249 CD2 PHE A 81 1.177 8.813 -16.515 1.00 0.00 C ATOM 1250 CE1 PHE A 81 -0.445 10.926 -17.234 1.00 0.00 C ATOM 1251 CE2 PHE A 81 -0.091 8.572 -17.010 1.00 0.00 C ATOM 1252 CZ PHE A 81 -0.903 9.630 -17.369 1.00 0.00 C ATOM 0 H PHE A 81 3.399 12.941 -15.725 1.00 0.00 H new ATOM 0 HA PHE A 81 2.208 10.929 -13.931 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.622 10.859 -16.606 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.510 9.413 -15.623 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.177 12.175 -16.635 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.807 7.982 -16.234 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.077 11.755 -17.515 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.446 7.558 -17.116 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.895 9.444 -17.755 1.00 0.00 H new ATOM 1262 N SER A 82 4.272 10.218 -12.744 1.00 0.00 N ATOM 1263 CA SER A 82 5.445 9.933 -11.925 1.00 0.00 C ATOM 1264 C SER A 82 6.391 8.977 -12.645 1.00 0.00 C ATOM 1265 O SER A 82 6.227 8.701 -13.833 1.00 0.00 O ATOM 1266 CB SER A 82 5.022 9.336 -10.582 1.00 0.00 C ATOM 1267 OG SER A 82 6.094 9.355 -9.655 1.00 0.00 O ATOM 0 H SER A 82 3.416 9.761 -12.428 1.00 0.00 H new ATOM 0 HA SER A 82 5.971 10.871 -11.748 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.179 9.898 -10.180 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.681 8.311 -10.727 1.00 0.00 H new ATOM 0 HG SER A 82 5.798 8.970 -8.804 1.00 0.00 H new ATOM 1273 N ASP A 83 7.381 8.475 -11.916 1.00 0.00 N ATOM 1274 CA ASP A 83 8.355 7.549 -12.483 1.00 0.00 C ATOM 1275 C ASP A 83 7.656 6.391 -13.188 1.00 0.00 C ATOM 1276 O ASP A 83 7.150 5.473 -12.542 1.00 0.00 O ATOM 1277 CB ASP A 83 9.279 7.013 -11.388 1.00 0.00 C ATOM 1278 CG ASP A 83 10.302 8.039 -10.940 1.00 0.00 C ATOM 1279 OD1 ASP A 83 11.030 8.566 -11.806 1.00 0.00 O ATOM 1280 OD2 ASP A 83 10.374 8.313 -9.724 1.00 0.00 O ATOM 0 H ASP A 83 7.531 8.693 -10.931 1.00 0.00 H new ATOM 0 HA ASP A 83 8.951 8.091 -13.217 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.681 6.703 -10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.795 6.126 -11.754 1.00 0.00 H new ATOM 1285 N ILE A 84 7.631 6.441 -14.515 1.00 0.00 N ATOM 1286 CA ILE A 84 6.995 5.396 -15.307 1.00 0.00 C ATOM 1287 C ILE A 84 7.927 4.892 -16.403 1.00 0.00 C ATOM 1288 O ILE A 84 9.068 5.341 -16.517 1.00 0.00 O ATOM 1289 CB ILE A 84 5.688 5.895 -15.951 1.00 0.00 C ATOM 1290 CG1 ILE A 84 5.921 7.230 -16.663 1.00 0.00 C ATOM 1291 CG2 ILE A 84 4.598 6.034 -14.898 1.00 0.00 C ATOM 1292 CD1 ILE A 84 5.045 7.426 -17.880 1.00 0.00 C ATOM 0 H ILE A 84 8.044 7.194 -15.065 1.00 0.00 H new ATOM 0 HA ILE A 84 6.766 4.578 -14.624 1.00 0.00 H new ATOM 0 HB ILE A 84 5.362 5.163 -16.690 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.740 8.044 -15.960 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.967 7.295 -16.964 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.681 6.388 -15.369 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.417 5.066 -14.432 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.915 6.749 -14.138 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.264 8.392 -18.334 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.242 6.633 -18.602 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.997 7.394 -17.583 1.00 0.00 H new ATOM 1304 N ASP A 85 7.434 3.957 -17.208 1.00 0.00 N ATOM 1305 CA ASP A 85 8.222 3.393 -18.298 1.00 0.00 C ATOM 1306 C ASP A 85 8.181 4.299 -19.524 1.00 0.00 C ATOM 1307 O ASP A 85 7.287 5.134 -19.660 1.00 0.00 O ATOM 1308 CB ASP A 85 7.707 1.999 -18.660 1.00 0.00 C ATOM 1309 CG ASP A 85 7.337 1.183 -17.437 1.00 0.00 C ATOM 1310 OD1 ASP A 85 8.245 0.575 -16.833 1.00 0.00 O ATOM 1311 OD2 ASP A 85 6.139 1.152 -17.085 1.00 0.00 O ATOM 0 H ASP A 85 6.492 3.574 -17.126 1.00 0.00 H new ATOM 0 HA ASP A 85 9.256 3.314 -17.963 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.835 2.094 -19.307 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.471 1.469 -19.229 1.00 0.00 H new ATOM 1316 N GLU A 86 9.154 4.128 -20.413 1.00 0.00 N ATOM 1317 CA GLU A 86 9.229 4.932 -21.627 1.00 0.00 C ATOM 1318 C GLU A 86 8.184 4.482 -22.644 1.00 0.00 C ATOM 1319 O GLU A 86 7.559 5.303 -23.313 1.00 0.00 O ATOM 1320 CB GLU A 86 10.627 4.839 -22.242 1.00 0.00 C ATOM 1321 CG GLU A 86 11.037 3.423 -22.610 1.00 0.00 C ATOM 1322 CD GLU A 86 12.541 3.227 -22.587 1.00 0.00 C ATOM 1323 OE1 GLU A 86 13.269 4.232 -22.453 1.00 0.00 O ATOM 1324 OE2 GLU A 86 12.989 2.067 -22.702 1.00 0.00 O ATOM 0 H GLU A 86 9.901 3.440 -20.315 1.00 0.00 H new ATOM 0 HA GLU A 86 9.026 5.969 -21.358 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.664 5.463 -23.135 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.352 5.247 -21.538 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.572 2.722 -21.916 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.658 3.186 -23.604 1.00 0.00 H new ATOM 1331 N ASN A 87 8.000 3.170 -22.752 1.00 0.00 N ATOM 1332 CA ASN A 87 7.031 2.609 -23.687 1.00 0.00 C ATOM 1333 C ASN A 87 5.663 3.259 -23.508 1.00 0.00 C ATOM 1334 O ASN A 87 5.078 3.769 -24.463 1.00 0.00 O ATOM 1335 CB ASN A 87 6.919 1.095 -23.491 1.00 0.00 C ATOM 1336 CG ASN A 87 6.922 0.701 -22.027 1.00 0.00 C ATOM 1337 OD1 ASN A 87 5.881 0.709 -21.368 1.00 0.00 O ATOM 1338 ND2 ASN A 87 8.094 0.353 -21.510 1.00 0.00 N ATOM 0 H ASN A 87 8.509 2.476 -22.204 1.00 0.00 H new ATOM 0 HA ASN A 87 7.380 2.813 -24.699 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.002 0.737 -23.959 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.749 0.603 -23.999 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.158 0.078 -20.530 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.931 0.361 -22.093 1.00 0.00 H new ATOM 1345 N MET A 88 5.159 3.236 -22.279 1.00 0.00 N ATOM 1346 CA MET A 88 3.860 3.825 -21.974 1.00 0.00 C ATOM 1347 C MET A 88 3.893 5.338 -22.160 1.00 0.00 C ATOM 1348 O MET A 88 2.871 5.960 -22.455 1.00 0.00 O ATOM 1349 CB MET A 88 3.445 3.484 -20.542 1.00 0.00 C ATOM 1350 CG MET A 88 1.939 3.442 -20.339 1.00 0.00 C ATOM 1351 SD MET A 88 1.426 2.128 -19.217 1.00 0.00 S ATOM 1352 CE MET A 88 0.331 3.027 -18.121 1.00 0.00 C ATOM 0 H MET A 88 5.630 2.816 -21.478 1.00 0.00 H new ATOM 0 HA MET A 88 3.128 3.408 -22.665 1.00 0.00 H new ATOM 0 HB2 MET A 88 3.867 2.516 -20.271 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.874 4.221 -19.863 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.602 4.402 -19.947 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.450 3.303 -21.303 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.625 2.849 -17.087 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.394 4.093 -18.338 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.694 2.686 -18.271 1.00 0.00 H new ATOM 1362 N LYS A 89 5.071 5.926 -21.987 1.00 0.00 N ATOM 1363 CA LYS A 89 5.238 7.367 -22.136 1.00 0.00 C ATOM 1364 C LYS A 89 4.835 7.819 -23.536 1.00 0.00 C ATOM 1365 O LYS A 89 4.448 8.970 -23.741 1.00 0.00 O ATOM 1366 CB LYS A 89 6.689 7.765 -21.858 1.00 0.00 C ATOM 1367 CG LYS A 89 6.869 9.245 -21.568 1.00 0.00 C ATOM 1368 CD LYS A 89 6.451 9.590 -20.148 1.00 0.00 C ATOM 1369 CE LYS A 89 7.498 9.148 -19.137 1.00 0.00 C ATOM 1370 NZ LYS A 89 8.788 9.868 -19.323 1.00 0.00 N ATOM 0 H LYS A 89 5.926 5.426 -21.743 1.00 0.00 H new ATOM 0 HA LYS A 89 4.588 7.860 -21.413 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.059 7.190 -21.009 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.302 7.495 -22.718 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.912 9.522 -21.719 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.279 9.829 -22.274 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.294 10.665 -20.065 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.499 9.110 -19.921 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.126 9.325 -18.128 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.664 8.075 -19.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 9.341 9.822 -18.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.326 9.423 -20.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.599 10.863 -19.562 1.00 0.00 H new ATOM 1384 N LYS A 90 4.926 6.906 -24.497 1.00 0.00 N ATOM 1385 CA LYS A 90 4.568 7.208 -25.878 1.00 0.00 C ATOM 1386 C LYS A 90 3.061 7.394 -26.021 1.00 0.00 C ATOM 1387 O LYS A 90 2.595 8.427 -26.502 1.00 0.00 O ATOM 1388 CB LYS A 90 5.046 6.090 -26.807 1.00 0.00 C ATOM 1389 CG LYS A 90 4.837 6.393 -28.280 1.00 0.00 C ATOM 1390 CD LYS A 90 6.039 7.104 -28.879 1.00 0.00 C ATOM 1391 CE LYS A 90 5.841 8.612 -28.901 1.00 0.00 C ATOM 1392 NZ LYS A 90 5.113 9.058 -30.121 1.00 0.00 N ATOM 0 H LYS A 90 5.245 5.949 -24.345 1.00 0.00 H new ATOM 0 HA LYS A 90 5.059 8.140 -26.159 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.106 5.909 -26.629 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.519 5.170 -26.556 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.655 5.464 -28.821 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.948 7.012 -28.403 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.931 6.862 -28.302 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.208 6.743 -29.894 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.286 8.918 -28.014 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.811 9.106 -28.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.998 10.091 -30.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.655 8.788 -30.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.177 8.606 -30.151 1.00 0.00 H new ATOM 1406 N VAL A 91 2.302 6.387 -25.599 1.00 0.00 N ATOM 1407 CA VAL A 91 0.847 6.440 -25.678 1.00 0.00 C ATOM 1408 C VAL A 91 0.289 7.551 -24.796 1.00 0.00 C ATOM 1409 O VAL A 91 -0.718 8.175 -25.130 1.00 0.00 O ATOM 1410 CB VAL A 91 0.213 5.100 -25.260 1.00 0.00 C ATOM 1411 CG1 VAL A 91 0.694 4.690 -23.876 1.00 0.00 C ATOM 1412 CG2 VAL A 91 -1.305 5.194 -25.299 1.00 0.00 C ATOM 0 H VAL A 91 2.671 5.524 -25.199 1.00 0.00 H new ATOM 0 HA VAL A 91 0.594 6.644 -26.718 1.00 0.00 H new ATOM 0 HB VAL A 91 0.526 4.333 -25.969 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.235 3.741 -23.598 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.778 4.580 -23.885 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.413 5.455 -23.152 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.736 4.238 -25.001 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.639 5.973 -24.613 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.629 5.438 -26.311 1.00 0.00 H new ATOM 1422 N ILE A 92 0.951 7.794 -23.670 1.00 0.00 N ATOM 1423 CA ILE A 92 0.522 8.832 -22.741 1.00 0.00 C ATOM 1424 C ILE A 92 0.750 10.222 -23.325 1.00 0.00 C ATOM 1425 O ILE A 92 -0.178 11.023 -23.432 1.00 0.00 O ATOM 1426 CB ILE A 92 1.264 8.725 -21.396 1.00 0.00 C ATOM 1427 CG1 ILE A 92 0.949 7.389 -20.719 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.887 9.886 -20.489 1.00 0.00 C ATOM 1429 CD1 ILE A 92 1.974 6.978 -19.685 1.00 0.00 C ATOM 0 H ILE A 92 1.786 7.286 -23.379 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.544 8.682 -22.572 1.00 0.00 H new ATOM 0 HB ILE A 92 2.336 8.771 -21.585 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.029 7.454 -20.243 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.882 6.612 -21.481 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.420 9.796 -19.542 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.158 10.826 -20.970 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.187 9.869 -20.304 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.686 6.022 -19.247 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.950 6.880 -20.159 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.025 7.735 -18.903 1.00 0.00 H new ATOM 1441 N LYS A 93 1.992 10.501 -23.705 1.00 0.00 N ATOM 1442 CA LYS A 93 2.344 11.793 -24.283 1.00 0.00 C ATOM 1443 C LYS A 93 1.549 12.053 -25.558 1.00 0.00 C ATOM 1444 O LYS A 93 1.205 13.195 -25.864 1.00 0.00 O ATOM 1445 CB LYS A 93 3.844 11.849 -24.584 1.00 0.00 C ATOM 1446 CG LYS A 93 4.241 11.086 -25.836 1.00 0.00 C ATOM 1447 CD LYS A 93 5.732 11.200 -26.108 1.00 0.00 C ATOM 1448 CE LYS A 93 6.550 10.510 -25.026 1.00 0.00 C ATOM 1449 NZ LYS A 93 8.013 10.668 -25.252 1.00 0.00 N ATOM 0 H LYS A 93 2.772 9.849 -23.623 1.00 0.00 H new ATOM 0 HA LYS A 93 2.096 12.567 -23.557 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.146 12.891 -24.692 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.392 11.445 -23.733 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.969 10.036 -25.725 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.684 11.471 -26.690 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.961 10.757 -27.077 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.014 12.252 -26.164 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.286 10.923 -24.052 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.299 9.450 -25.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.536 10.184 -24.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.269 10.251 -26.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.257 11.679 -25.250 1.00 0.00 H new ATOM 1463 N ALA A 94 1.258 10.988 -26.297 1.00 0.00 N ATOM 1464 CA ALA A 94 0.500 11.102 -27.537 1.00 0.00 C ATOM 1465 C ALA A 94 -0.951 11.479 -27.260 1.00 0.00 C ATOM 1466 O ALA A 94 -1.485 12.415 -27.856 1.00 0.00 O ATOM 1467 CB ALA A 94 0.569 9.798 -28.319 1.00 0.00 C ATOM 0 H ALA A 94 1.536 10.036 -26.059 1.00 0.00 H new ATOM 0 HA ALA A 94 0.946 11.896 -28.136 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.001 9.897 -29.243 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.608 9.571 -28.557 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.149 8.991 -27.718 1.00 0.00 H new ATOM 1473 N THR A 95 -1.586 10.744 -26.352 1.00 0.00 N ATOM 1474 CA THR A 95 -2.976 11.000 -25.998 1.00 0.00 C ATOM 1475 C THR A 95 -3.142 12.388 -25.391 1.00 0.00 C ATOM 1476 O THR A 95 -4.164 13.045 -25.589 1.00 0.00 O ATOM 1477 CB THR A 95 -3.506 9.950 -25.003 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.430 8.643 -25.584 1.00 0.00 O ATOM 1479 CG2 THR A 95 -4.944 10.254 -24.610 1.00 0.00 C ATOM 0 H THR A 95 -1.159 9.966 -25.849 1.00 0.00 H new ATOM 0 HA THR A 95 -3.553 10.938 -26.921 1.00 0.00 H new ATOM 0 HB THR A 95 -2.887 9.985 -24.107 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.512 8.307 -25.514 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.296 9.499 -23.907 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.993 11.237 -24.142 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.574 10.244 -25.499 1.00 0.00 H new ATOM 1487 N ALA A 96 -2.130 12.830 -24.650 1.00 0.00 N ATOM 1488 CA ALA A 96 -2.164 14.142 -24.016 1.00 0.00 C ATOM 1489 C ALA A 96 -1.883 15.248 -25.027 1.00 0.00 C ATOM 1490 O ALA A 96 -2.433 16.344 -24.929 1.00 0.00 O ATOM 1491 CB ALA A 96 -1.160 14.201 -22.874 1.00 0.00 C ATOM 0 H ALA A 96 -1.277 12.299 -24.474 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.165 14.299 -23.615 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.195 15.186 -22.409 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.407 13.441 -22.133 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.158 14.018 -23.261 1.00 0.00 H new ATOM 1497 N GLU A 97 -1.024 14.952 -25.998 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.670 15.924 -27.026 1.00 0.00 C ATOM 1499 C GLU A 97 -1.835 16.151 -27.984 1.00 0.00 C ATOM 1500 O GLU A 97 -2.034 17.257 -28.488 1.00 0.00 O ATOM 1501 CB GLU A 97 0.560 15.451 -27.804 1.00 0.00 C ATOM 1502 CG GLU A 97 1.878 15.838 -27.154 1.00 0.00 C ATOM 1503 CD GLU A 97 3.051 15.045 -27.696 1.00 0.00 C ATOM 1504 OE1 GLU A 97 2.874 13.840 -27.974 1.00 0.00 O ATOM 1505 OE2 GLU A 97 4.145 15.629 -27.843 1.00 0.00 O ATOM 0 H GLU A 97 -0.561 14.048 -26.094 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.438 16.868 -26.533 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.520 14.367 -27.906 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.525 15.868 -28.811 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.059 16.901 -27.313 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.807 15.684 -26.077 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.604 15.096 -28.232 1.00 0.00 N ATOM 1513 CA LYS A 98 -3.751 15.177 -29.129 1.00 0.00 C ATOM 1514 C LYS A 98 -4.708 16.281 -28.689 1.00 0.00 C ATOM 1515 O LYS A 98 -5.380 16.899 -29.515 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.487 13.837 -29.172 1.00 0.00 C ATOM 1517 CG LYS A 98 -4.767 13.342 -30.581 1.00 0.00 C ATOM 1518 CD LYS A 98 -3.481 13.026 -31.327 1.00 0.00 C ATOM 1519 CE LYS A 98 -3.604 13.346 -32.809 1.00 0.00 C ATOM 1520 NZ LYS A 98 -4.745 12.626 -33.439 1.00 0.00 N ATOM 0 H LYS A 98 -2.453 14.174 -27.824 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.384 15.414 -30.127 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.895 13.090 -28.644 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.431 13.933 -28.635 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.392 12.450 -30.537 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.330 14.098 -31.128 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.659 13.599 -30.897 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.235 11.972 -31.200 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.736 14.420 -32.939 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.679 13.075 -33.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.705 12.748 -34.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.687 11.614 -33.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.641 13.013 -33.079 1.00 0.00 H new ATOM 1534 N PHE A 99 -4.764 16.524 -27.384 1.00 0.00 N ATOM 1535 CA PHE A 99 -5.638 17.554 -26.835 1.00 0.00 C ATOM 1536 C PHE A 99 -5.336 18.913 -27.458 1.00 0.00 C ATOM 1537 O PHE A 99 -6.187 19.803 -27.479 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.479 17.630 -25.315 1.00 0.00 C ATOM 1539 CG PHE A 99 -6.358 16.666 -24.571 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -5.930 15.373 -24.315 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -7.612 17.052 -24.127 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -6.736 14.484 -23.630 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -8.422 16.167 -23.441 1.00 0.00 C ATOM 1544 CZ PHE A 99 -7.984 14.881 -23.194 1.00 0.00 C ATOM 0 H PHE A 99 -4.214 16.022 -26.687 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.667 17.286 -27.073 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.438 17.434 -25.056 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.704 18.644 -24.984 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.955 15.056 -24.655 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.961 18.056 -24.319 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.390 13.480 -23.436 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.397 16.481 -23.098 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.617 14.187 -22.661 1.00 0.00 H new ATOM 1554 N LYS A 100 -4.118 19.067 -27.966 1.00 0.00 N ATOM 1555 CA LYS A 100 -3.701 20.316 -28.592 1.00 0.00 C ATOM 1556 C LYS A 100 -4.729 20.780 -29.618 1.00 0.00 C ATOM 1557 O LYS A 100 -4.904 21.978 -29.837 1.00 0.00 O ATOM 1558 CB LYS A 100 -2.337 20.144 -29.263 1.00 0.00 C ATOM 1559 CG LYS A 100 -1.933 21.322 -30.132 1.00 0.00 C ATOM 1560 CD LYS A 100 -1.834 22.604 -29.323 1.00 0.00 C ATOM 1561 CE LYS A 100 -1.663 23.819 -30.222 1.00 0.00 C ATOM 1562 NZ LYS A 100 -0.297 23.884 -30.812 1.00 0.00 N ATOM 0 H LYS A 100 -3.401 18.341 -27.956 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.623 21.075 -27.813 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.579 19.994 -28.494 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.353 19.241 -29.874 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.973 21.114 -30.605 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.661 21.451 -30.933 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.732 22.723 -28.716 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.991 22.537 -28.635 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.403 23.786 -31.022 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.854 24.726 -29.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.220 24.726 -31.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.408 23.941 -30.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.124 23.031 -31.381 1.00 0.00 H new ATOM 1576 N ASN A 101 -5.408 19.824 -30.244 1.00 0.00 N ATOM 1577 CA ASN A 101 -6.420 20.135 -31.246 1.00 0.00 C ATOM 1578 C ASN A 101 -7.427 21.147 -30.707 1.00 0.00 C ATOM 1579 O ASN A 101 -7.841 22.066 -31.414 1.00 0.00 O ATOM 1580 CB ASN A 101 -7.145 18.861 -31.683 1.00 0.00 C ATOM 1581 CG ASN A 101 -6.435 18.152 -32.820 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -5.844 18.790 -33.691 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -6.491 16.825 -32.817 1.00 0.00 N ATOM 0 H ASN A 101 -5.275 18.827 -30.075 1.00 0.00 H new ATOM 0 HA ASN A 101 -5.918 20.573 -32.109 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.229 18.184 -30.833 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -8.160 19.112 -31.992 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -6.033 16.294 -33.557 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.992 16.337 -32.075 1.00 0.00 H new ATOM 1590 N LYS A 102 -7.817 20.972 -29.449 1.00 0.00 N ATOM 1591 CA LYS A 102 -8.773 21.870 -28.812 1.00 0.00 C ATOM 1592 C LYS A 102 -8.225 22.401 -27.492 1.00 0.00 C ATOM 1593 O LYS A 102 -8.984 22.760 -26.592 1.00 0.00 O ATOM 1594 CB LYS A 102 -10.100 21.147 -28.571 1.00 0.00 C ATOM 1595 CG LYS A 102 -9.952 19.844 -27.804 1.00 0.00 C ATOM 1596 CD LYS A 102 -9.700 18.672 -28.738 1.00 0.00 C ATOM 1597 CE LYS A 102 -10.035 17.346 -28.072 1.00 0.00 C ATOM 1598 NZ LYS A 102 -11.500 17.186 -27.860 1.00 0.00 N ATOM 0 H LYS A 102 -7.485 20.216 -28.850 1.00 0.00 H new ATOM 0 HA LYS A 102 -8.942 22.714 -29.481 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.770 21.808 -28.021 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.572 20.942 -29.532 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.128 19.929 -27.096 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -10.855 19.659 -27.222 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.300 18.789 -29.640 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.655 18.671 -29.048 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.666 16.527 -28.689 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -9.520 17.281 -27.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.685 16.974 -26.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.987 18.067 -28.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.853 16.406 -28.450 1.00 0.00 H new ATOM 1612 N GLY A 103 -6.901 22.451 -27.383 1.00 0.00 N ATOM 1613 CA GLY A 103 -6.274 22.941 -26.169 1.00 0.00 C ATOM 1614 C GLY A 103 -4.834 23.363 -26.390 1.00 0.00 C ATOM 1615 O GLY A 103 -3.908 22.592 -26.135 1.00 0.00 O ATOM 0 H GLY A 103 -6.251 22.161 -28.114 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.843 23.788 -25.786 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.309 22.163 -25.406 1.00 0.00 H new ATOM 1619 N PHE A 104 -4.645 24.589 -26.866 1.00 0.00 N ATOM 1620 CA PHE A 104 -3.308 25.111 -27.123 1.00 0.00 C ATOM 1621 C PHE A 104 -2.413 24.943 -25.898 1.00 0.00 C ATOM 1622 O PHE A 104 -1.197 24.792 -26.019 1.00 0.00 O ATOM 1623 CB PHE A 104 -3.381 26.587 -27.517 1.00 0.00 C ATOM 1624 CG PHE A 104 -3.605 27.508 -26.352 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -4.766 27.425 -25.600 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -2.656 28.457 -26.009 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -4.975 28.271 -24.527 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -2.859 29.305 -24.937 1.00 0.00 C ATOM 1629 CZ PHE A 104 -4.021 29.213 -24.196 1.00 0.00 C ATOM 0 H PHE A 104 -5.401 25.239 -27.082 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.876 24.543 -27.947 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.455 26.867 -28.018 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.187 26.723 -28.238 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.516 26.691 -25.855 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.747 28.535 -26.586 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.884 28.195 -23.948 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.110 30.039 -24.679 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.183 29.876 -23.359 1.00 0.00 H new ATOM 1639 N LYS A 105 -3.024 24.972 -24.719 1.00 0.00 N ATOM 1640 CA LYS A 105 -2.286 24.823 -23.470 1.00 0.00 C ATOM 1641 C LYS A 105 -2.083 23.350 -23.130 1.00 0.00 C ATOM 1642 O LYS A 105 -2.925 22.731 -22.479 1.00 0.00 O ATOM 1643 CB LYS A 105 -3.027 25.523 -22.329 1.00 0.00 C ATOM 1644 CG LYS A 105 -2.108 26.055 -21.243 1.00 0.00 C ATOM 1645 CD LYS A 105 -1.801 27.529 -21.444 1.00 0.00 C ATOM 1646 CE LYS A 105 -0.440 27.732 -22.093 1.00 0.00 C ATOM 1647 NZ LYS A 105 -0.535 27.771 -23.579 1.00 0.00 N ATOM 0 H LYS A 105 -4.029 25.097 -24.602 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.308 25.286 -23.598 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.609 26.349 -22.738 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.735 24.824 -21.884 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.573 25.909 -20.268 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -1.178 25.486 -21.241 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.573 27.981 -22.067 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.827 28.041 -20.482 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.001 28.662 -21.733 1.00 0.00 H new ATOM 0 HE3 LYS A 105 0.230 26.926 -21.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 0.051 28.549 -23.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.198 26.869 -23.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.525 27.922 -23.860 1.00 0.00 H new ATOM 1661 N VAL A 106 -0.961 22.793 -23.575 1.00 0.00 N ATOM 1662 CA VAL A 106 -0.647 21.393 -23.316 1.00 0.00 C ATOM 1663 C VAL A 106 0.672 21.256 -22.563 1.00 0.00 C ATOM 1664 O VAL A 106 1.714 21.718 -23.029 1.00 0.00 O ATOM 1665 CB VAL A 106 -0.565 20.585 -24.624 1.00 0.00 C ATOM 1666 CG1 VAL A 106 -0.192 19.138 -24.336 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -1.883 20.663 -25.381 1.00 0.00 C ATOM 0 H VAL A 106 -0.254 23.290 -24.117 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.455 20.995 -22.702 1.00 0.00 H new ATOM 0 HB VAL A 106 0.215 21.019 -25.250 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.139 18.583 -25.272 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.777 19.104 -23.839 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.947 18.689 -23.690 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.808 20.086 -26.303 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.683 20.255 -24.762 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.104 21.703 -25.621 1.00 0.00 H new ATOM 1677 N GLU A 107 0.619 20.619 -21.398 1.00 0.00 N ATOM 1678 CA GLU A 107 1.811 20.421 -20.581 1.00 0.00 C ATOM 1679 C GLU A 107 1.950 18.959 -20.167 1.00 0.00 C ATOM 1680 O GLU A 107 0.977 18.204 -20.171 1.00 0.00 O ATOM 1681 CB GLU A 107 1.758 21.312 -19.339 1.00 0.00 C ATOM 1682 CG GLU A 107 3.115 21.543 -18.697 1.00 0.00 C ATOM 1683 CD GLU A 107 3.125 22.741 -17.767 1.00 0.00 C ATOM 1684 OE1 GLU A 107 2.040 23.310 -17.522 1.00 0.00 O ATOM 1685 OE2 GLU A 107 4.216 23.109 -17.284 1.00 0.00 O ATOM 0 H GLU A 107 -0.236 20.231 -20.999 1.00 0.00 H new ATOM 0 HA GLU A 107 2.680 20.695 -21.179 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.326 22.275 -19.611 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.091 20.859 -18.606 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.405 20.653 -18.139 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.862 21.688 -19.478 1.00 0.00 H new ATOM 1692 N THR A 108 3.168 18.565 -19.808 1.00 0.00 N ATOM 1693 CA THR A 108 3.437 17.195 -19.393 1.00 0.00 C ATOM 1694 C THR A 108 4.537 17.145 -18.339 1.00 0.00 C ATOM 1695 O THR A 108 5.323 18.083 -18.203 1.00 0.00 O ATOM 1696 CB THR A 108 3.847 16.315 -20.589 1.00 0.00 C ATOM 1697 OG1 THR A 108 5.141 16.706 -21.063 1.00 0.00 O ATOM 1698 CG2 THR A 108 2.833 16.427 -21.716 1.00 0.00 C ATOM 0 H THR A 108 3.984 19.177 -19.797 1.00 0.00 H new ATOM 0 HA THR A 108 2.512 16.807 -18.967 1.00 0.00 H new ATOM 0 HB THR A 108 3.881 15.278 -20.255 1.00 0.00 H new ATOM 0 HG1 THR A 108 5.396 16.141 -21.822 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.144 15.797 -22.549 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.856 16.101 -21.360 1.00 0.00 H new ATOM 0 HG23 THR A 108 2.771 17.463 -22.048 1.00 0.00 H new ATOM 1706 N ASP A 109 4.588 16.046 -17.595 1.00 0.00 N ATOM 1707 CA ASP A 109 5.594 15.874 -16.553 1.00 0.00 C ATOM 1708 C ASP A 109 6.992 16.151 -17.097 1.00 0.00 C ATOM 1709 O ASP A 109 7.467 15.458 -17.996 1.00 0.00 O ATOM 1710 CB ASP A 109 5.528 14.457 -15.980 1.00 0.00 C ATOM 1711 CG ASP A 109 5.335 13.406 -17.055 1.00 0.00 C ATOM 1712 OD1 ASP A 109 4.179 13.189 -17.473 1.00 0.00 O ATOM 1713 OD2 ASP A 109 6.341 12.800 -17.478 1.00 0.00 O ATOM 0 H ASP A 109 3.945 15.261 -17.694 1.00 0.00 H new ATOM 0 HA ASP A 109 5.384 16.589 -15.758 1.00 0.00 H new ATOM 0 HB2 ASP A 109 6.446 14.247 -15.431 1.00 0.00 H new ATOM 0 HB3 ASP A 109 4.708 14.395 -15.264 1.00 0.00 H new ATOM 1718 N MET A 110 7.645 17.168 -16.545 1.00 0.00 N ATOM 1719 CA MET A 110 8.989 17.537 -16.976 1.00 0.00 C ATOM 1720 C MET A 110 10.036 16.653 -16.305 1.00 0.00 C ATOM 1721 O MET A 110 9.700 15.732 -15.559 1.00 0.00 O ATOM 1722 CB MET A 110 9.265 19.007 -16.656 1.00 0.00 C ATOM 1723 CG MET A 110 10.338 19.629 -17.534 1.00 0.00 C ATOM 1724 SD MET A 110 12.006 19.297 -16.934 1.00 0.00 S ATOM 1725 CE MET A 110 12.892 19.118 -18.480 1.00 0.00 C ATOM 0 H MET A 110 7.266 17.751 -15.799 1.00 0.00 H new ATOM 0 HA MET A 110 9.051 17.390 -18.054 1.00 0.00 H new ATOM 0 HB2 MET A 110 8.341 19.574 -16.768 1.00 0.00 H new ATOM 0 HB3 MET A 110 9.567 19.093 -15.612 1.00 0.00 H new ATOM 0 HG2 MET A 110 10.238 19.245 -18.549 1.00 0.00 H new ATOM 0 HG3 MET A 110 10.182 20.707 -17.584 1.00 0.00 H new ATOM 0 HE1 MET A 110 13.942 18.909 -18.275 1.00 0.00 H new ATOM 0 HE2 MET A 110 12.463 18.295 -19.052 1.00 0.00 H new ATOM 0 HE3 MET A 110 12.811 20.041 -19.055 1.00 0.00 H new TER 1735 MET A 110