USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=27 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 11 MET CE :methyl 180:sc= -0.0349 (180deg=0) USER MOD Set 1.2: A 40 ASN : amide:sc= -0.811 K(o=-0.85,f=-3.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.443 (180deg=-0.559) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 CYS SG : rot 145:sc= 0.43 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.0219 USER MOD Single : A 8 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.55) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 26:sc= 0.972 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) 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 20 CYS SG : rot 36:sc= -0.0346 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -36:sc= 0.158 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.587 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -112:sc= -4.31! (180deg=-5.48!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 88:sc= 0.00168 USER MOD Single : A 55 THR OG1 : rot -65:sc= 0.828 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0548) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.79 X(o=-1.8,f=-2.2) 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 -164:sc=-0.00463 (180deg=-0.216) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -166:sc=-0.00319 (180deg=-0.132) USER MOD Single : A 95 THR OG1 : rot 74:sc= 0.153 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -115:sc= -0.47 (180deg=-1.82!) USER MOD Single : A 101 ASN : amide:sc= -0.0606 K(o=-0.061,f=-0.91) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 20:sc= 0.325! USER MOD Single : A 110 MET CE :methyl -169:sc= 0 (180deg=-0.104) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.051 0.218 0.162 1.00 0.00 N ATOM 2 CA MET A 1 0.988 0.453 -0.834 1.00 0.00 C ATOM 3 C MET A 1 0.401 0.461 -2.242 1.00 0.00 C ATOM 4 O MET A 1 1.062 0.071 -3.204 1.00 0.00 O ATOM 5 CB MET A 1 2.077 -0.617 -0.729 1.00 0.00 C ATOM 6 CG MET A 1 1.594 -2.012 -1.091 1.00 0.00 C ATOM 7 SD MET A 1 2.910 -3.243 -1.021 1.00 0.00 S ATOM 8 CE MET A 1 2.421 -4.179 0.426 1.00 0.00 C ATOM 0 H1 MET A 1 0.389 0.048 1.089 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.671 1.051 0.220 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.613 -0.613 -0.112 1.00 0.00 H new ATOM 0 HA MET A 1 1.429 1.430 -0.638 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.905 -0.347 -1.384 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.467 -0.629 0.289 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.793 -2.303 -0.411 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.170 -1.996 -2.095 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.139 -4.980 0.601 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.394 -3.520 1.294 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.432 -4.607 0.265 1.00 0.00 H new ATOM 18 N THR A 2 -0.846 0.908 -2.355 1.00 0.00 N ATOM 19 CA THR A 2 -1.524 0.965 -3.644 1.00 0.00 C ATOM 20 C THR A 2 -1.332 2.325 -4.306 1.00 0.00 C ATOM 21 O THR A 2 -1.859 3.335 -3.838 1.00 0.00 O ATOM 22 CB THR A 2 -3.031 0.686 -3.500 1.00 0.00 C ATOM 23 OG1 THR A 2 -3.244 -0.392 -2.581 1.00 0.00 O ATOM 24 CG2 THR A 2 -3.649 0.340 -4.846 1.00 0.00 C ATOM 0 H THR A 2 -1.407 1.236 -1.569 1.00 0.00 H new ATOM 0 HA THR A 2 -1.078 0.192 -4.270 1.00 0.00 H new ATOM 0 HB THR A 2 -3.510 1.588 -3.119 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.205 -0.562 -2.494 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.714 0.147 -4.718 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.511 1.174 -5.535 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.165 -0.549 -5.251 1.00 0.00 H new ATOM 32 N LEU A 3 -0.574 2.345 -5.397 1.00 0.00 N ATOM 33 CA LEU A 3 -0.313 3.582 -6.125 1.00 0.00 C ATOM 34 C LEU A 3 -1.537 4.011 -6.928 1.00 0.00 C ATOM 35 O LEU A 3 -2.226 3.179 -7.520 1.00 0.00 O ATOM 36 CB LEU A 3 0.886 3.405 -7.057 1.00 0.00 C ATOM 37 CG LEU A 3 2.243 3.827 -6.493 1.00 0.00 C ATOM 38 CD1 LEU A 3 2.643 2.926 -5.334 1.00 0.00 C ATOM 39 CD2 LEU A 3 3.306 3.800 -7.582 1.00 0.00 C ATOM 0 H LEU A 3 -0.129 1.519 -5.797 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.088 4.362 -5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.945 2.355 -7.345 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.700 3.975 -7.967 1.00 0.00 H new ATOM 0 HG LEU A 3 2.158 4.848 -6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.611 3.241 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.895 2.995 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.710 1.895 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.265 4.103 -7.162 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.389 2.790 -7.984 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.026 4.487 -8.381 1.00 0.00 H new ATOM 51 N CYS A 4 -1.801 5.312 -6.945 1.00 0.00 N ATOM 52 CA CYS A 4 -2.942 5.852 -7.677 1.00 0.00 C ATOM 53 C CYS A 4 -2.583 7.174 -8.346 1.00 0.00 C ATOM 54 O CYS A 4 -1.562 7.785 -8.028 1.00 0.00 O ATOM 55 CB CYS A 4 -4.131 6.049 -6.736 1.00 0.00 C ATOM 56 SG CYS A 4 -4.757 4.517 -6.006 1.00 0.00 S ATOM 0 H CYS A 4 -1.241 6.013 -6.460 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.216 5.137 -8.452 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -3.838 6.727 -5.935 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.938 6.534 -7.285 1.00 0.00 H new ATOM 0 HG CYS A 4 -5.169 4.750 -4.795 1.00 0.00 H new ATOM 62 N ALA A 5 -3.427 7.610 -9.275 1.00 0.00 N ATOM 63 CA ALA A 5 -3.198 8.860 -9.989 1.00 0.00 C ATOM 64 C ALA A 5 -4.410 9.781 -9.885 1.00 0.00 C ATOM 65 O ALA A 5 -5.551 9.321 -9.873 1.00 0.00 O ATOM 66 CB ALA A 5 -2.868 8.582 -11.448 1.00 0.00 C ATOM 0 H ALA A 5 -4.276 7.116 -9.551 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.350 9.364 -9.526 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.699 9.525 -11.969 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.969 7.969 -11.507 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.699 8.053 -11.915 1.00 0.00 H new ATOM 72 N MET A 6 -4.153 11.082 -9.810 1.00 0.00 N ATOM 73 CA MET A 6 -5.224 12.067 -9.708 1.00 0.00 C ATOM 74 C MET A 6 -5.534 12.677 -11.071 1.00 0.00 C ATOM 75 O MET A 6 -4.629 12.943 -11.863 1.00 0.00 O ATOM 76 CB MET A 6 -4.839 13.170 -8.719 1.00 0.00 C ATOM 77 CG MET A 6 -4.919 12.737 -7.264 1.00 0.00 C ATOM 78 SD MET A 6 -6.575 12.918 -6.576 1.00 0.00 S ATOM 79 CE MET A 6 -6.708 11.413 -5.614 1.00 0.00 C ATOM 0 H MET A 6 -3.214 11.479 -9.818 1.00 0.00 H new ATOM 0 HA MET A 6 -6.117 11.559 -9.345 1.00 0.00 H new ATOM 0 HB2 MET A 6 -3.824 13.502 -8.935 1.00 0.00 H new ATOM 0 HB3 MET A 6 -5.494 14.028 -8.871 1.00 0.00 H new ATOM 0 HG2 MET A 6 -4.607 11.696 -7.181 1.00 0.00 H new ATOM 0 HG3 MET A 6 -4.218 13.328 -6.674 1.00 0.00 H new ATOM 0 HE1 MET A 6 -7.682 11.378 -5.125 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.601 10.550 -6.272 1.00 0.00 H new ATOM 0 HE3 MET A 6 -5.922 11.393 -4.859 1.00 0.00 H new ATOM 89 N TYR A 7 -6.817 12.894 -11.339 1.00 0.00 N ATOM 90 CA TYR A 7 -7.246 13.469 -12.608 1.00 0.00 C ATOM 91 C TYR A 7 -8.290 14.559 -12.387 1.00 0.00 C ATOM 92 O TYR A 7 -9.443 14.273 -12.066 1.00 0.00 O ATOM 93 CB TYR A 7 -7.814 12.380 -13.520 1.00 0.00 C ATOM 94 CG TYR A 7 -7.696 12.701 -14.992 1.00 0.00 C ATOM 95 CD1 TYR A 7 -8.211 13.883 -15.510 1.00 0.00 C ATOM 96 CD2 TYR A 7 -7.068 11.822 -15.867 1.00 0.00 C ATOM 97 CE1 TYR A 7 -8.106 14.180 -16.855 1.00 0.00 C ATOM 98 CE2 TYR A 7 -6.958 12.111 -17.213 1.00 0.00 C ATOM 99 CZ TYR A 7 -7.478 13.291 -17.702 1.00 0.00 C ATOM 100 OH TYR A 7 -7.370 13.583 -19.043 1.00 0.00 O ATOM 0 H TYR A 7 -7.578 12.680 -10.694 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.375 13.917 -13.087 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.296 11.442 -13.319 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.864 12.223 -13.274 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.702 14.582 -14.849 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.659 10.897 -15.488 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.513 15.103 -17.241 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.467 11.417 -17.879 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.900 12.854 -19.500 1.00 0.00 H new ATOM 110 N ASN A 8 -7.877 15.810 -12.561 1.00 0.00 N ATOM 111 CA ASN A 8 -8.776 16.944 -12.381 1.00 0.00 C ATOM 112 C ASN A 8 -9.387 17.370 -13.713 1.00 0.00 C ATOM 113 O ASN A 8 -8.768 18.102 -14.486 1.00 0.00 O ATOM 114 CB ASN A 8 -8.027 18.120 -11.752 1.00 0.00 C ATOM 115 CG ASN A 8 -8.848 19.395 -11.750 1.00 0.00 C ATOM 116 OD1 ASN A 8 -9.661 19.621 -10.853 1.00 0.00 O ATOM 117 ND2 ASN A 8 -8.640 20.235 -12.757 1.00 0.00 N ATOM 0 H ASN A 8 -6.926 16.064 -12.826 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.581 16.636 -11.714 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.753 17.866 -10.728 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.099 18.290 -12.298 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.164 21.109 -12.809 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.956 20.007 -13.479 1.00 0.00 H new ATOM 124 N ILE A 9 -10.606 16.909 -13.972 1.00 0.00 N ATOM 125 CA ILE A 9 -11.302 17.244 -15.208 1.00 0.00 C ATOM 126 C ILE A 9 -12.368 18.307 -14.969 1.00 0.00 C ATOM 127 O ILE A 9 -13.199 18.176 -14.069 1.00 0.00 O ATOM 128 CB ILE A 9 -11.962 16.002 -15.837 1.00 0.00 C ATOM 129 CG1 ILE A 9 -12.611 16.365 -17.174 1.00 0.00 C ATOM 130 CG2 ILE A 9 -12.991 15.411 -14.885 1.00 0.00 C ATOM 131 CD1 ILE A 9 -13.291 15.196 -17.852 1.00 0.00 C ATOM 0 H ILE A 9 -11.132 16.303 -13.343 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.552 17.634 -15.896 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.192 15.252 -16.020 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.343 17.156 -17.011 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.849 16.769 -17.841 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.449 14.534 -15.343 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.502 15.121 -13.955 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.760 16.154 -14.674 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.729 15.526 -18.794 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.559 14.412 -18.047 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.076 14.806 -17.204 1.00 0.00 H new ATOM 143 N SER A 10 -12.341 19.359 -15.780 1.00 0.00 N ATOM 144 CA SER A 10 -13.305 20.446 -15.656 1.00 0.00 C ATOM 145 C SER A 10 -13.876 20.825 -17.018 1.00 0.00 C ATOM 146 O SER A 10 -13.287 21.619 -17.751 1.00 0.00 O ATOM 147 CB SER A 10 -12.647 21.666 -15.008 1.00 0.00 C ATOM 148 OG SER A 10 -13.530 22.775 -14.996 1.00 0.00 O ATOM 0 H SER A 10 -11.662 19.482 -16.531 1.00 0.00 H new ATOM 0 HA SER A 10 -14.123 20.103 -15.023 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.349 21.424 -13.988 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.739 21.926 -15.552 1.00 0.00 H new ATOM 0 HG SER A 10 -13.087 23.541 -14.576 1.00 0.00 H new ATOM 154 N MET A 11 -15.028 20.250 -17.351 1.00 0.00 N ATOM 155 CA MET A 11 -15.680 20.528 -18.625 1.00 0.00 C ATOM 156 C MET A 11 -15.954 22.020 -18.782 1.00 0.00 C ATOM 157 O MET A 11 -16.194 22.723 -17.800 1.00 0.00 O ATOM 158 CB MET A 11 -16.989 19.743 -18.734 1.00 0.00 C ATOM 159 CG MET A 11 -17.374 19.399 -20.163 1.00 0.00 C ATOM 160 SD MET A 11 -18.442 20.644 -20.913 1.00 0.00 S ATOM 161 CE MET A 11 -17.878 20.593 -22.613 1.00 0.00 C ATOM 0 H MET A 11 -15.528 19.589 -16.756 1.00 0.00 H new ATOM 0 HA MET A 11 -15.008 20.214 -19.424 1.00 0.00 H new ATOM 0 HB2 MET A 11 -16.899 18.822 -18.159 1.00 0.00 H new ATOM 0 HB3 MET A 11 -17.791 20.325 -18.280 1.00 0.00 H new ATOM 0 HG2 MET A 11 -16.470 19.292 -20.763 1.00 0.00 H new ATOM 0 HG3 MET A 11 -17.882 18.435 -20.176 1.00 0.00 H new ATOM 0 HE1 MET A 11 -18.445 21.310 -23.206 1.00 0.00 H new ATOM 0 HE2 MET A 11 -16.819 20.846 -22.653 1.00 0.00 H new ATOM 0 HE3 MET A 11 -18.027 19.591 -23.016 1.00 0.00 H new ATOM 171 N ALA A 12 -15.916 22.497 -20.021 1.00 0.00 N ATOM 172 CA ALA A 12 -16.162 23.905 -20.306 1.00 0.00 C ATOM 173 C ALA A 12 -17.465 24.375 -19.667 1.00 0.00 C ATOM 174 O ALA A 12 -18.533 23.828 -19.938 1.00 0.00 O ATOM 175 CB ALA A 12 -16.193 24.143 -21.808 1.00 0.00 C ATOM 0 H ALA A 12 -15.717 21.929 -20.844 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.346 24.485 -19.875 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.378 25.199 -22.005 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.236 23.855 -22.242 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -16.988 23.546 -22.255 1.00 0.00 H new ATOM 181 N GLY A 13 -17.368 25.393 -18.816 1.00 0.00 N ATOM 182 CA GLY A 13 -18.547 25.918 -18.152 1.00 0.00 C ATOM 183 C GLY A 13 -19.053 25.000 -17.057 1.00 0.00 C ATOM 184 O GLY A 13 -20.239 24.675 -17.009 1.00 0.00 O ATOM 0 H GLY A 13 -16.495 25.863 -18.575 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -18.316 26.894 -17.725 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -19.337 26.071 -18.888 1.00 0.00 H new ATOM 188 N SER A 14 -18.151 24.578 -16.176 1.00 0.00 N ATOM 189 CA SER A 14 -18.511 23.687 -15.080 1.00 0.00 C ATOM 190 C SER A 14 -17.469 23.745 -13.967 1.00 0.00 C ATOM 191 O SER A 14 -16.472 24.462 -14.071 1.00 0.00 O ATOM 192 CB SER A 14 -18.652 22.251 -15.587 1.00 0.00 C ATOM 193 OG SER A 14 -19.899 22.059 -16.234 1.00 0.00 O ATOM 0 H SER A 14 -17.165 24.839 -16.200 1.00 0.00 H new ATOM 0 HA SER A 14 -19.468 24.018 -14.676 1.00 0.00 H new ATOM 0 HB2 SER A 14 -17.841 22.025 -16.279 1.00 0.00 H new ATOM 0 HB3 SER A 14 -18.561 21.556 -14.752 1.00 0.00 H new ATOM 0 HG SER A 14 -20.221 22.916 -16.584 1.00 0.00 H new ATOM 199 N HIS A 15 -17.706 22.985 -12.903 1.00 0.00 N ATOM 200 CA HIS A 15 -16.787 22.949 -11.770 1.00 0.00 C ATOM 201 C HIS A 15 -15.750 21.845 -11.947 1.00 0.00 C ATOM 202 O HIS A 15 -15.931 20.909 -12.726 1.00 0.00 O ATOM 203 CB HIS A 15 -17.559 22.736 -10.467 1.00 0.00 C ATOM 204 CG HIS A 15 -18.007 24.010 -9.821 1.00 0.00 C ATOM 205 ND1 HIS A 15 -18.575 25.052 -10.523 1.00 0.00 N ATOM 206 CD2 HIS A 15 -17.968 24.408 -8.527 1.00 0.00 C ATOM 207 CE1 HIS A 15 -18.865 26.036 -9.691 1.00 0.00 C ATOM 208 NE2 HIS A 15 -18.507 25.670 -8.473 1.00 0.00 N ATOM 0 H HIS A 15 -18.525 22.386 -12.801 1.00 0.00 H new ATOM 0 HA HIS A 15 -16.268 23.906 -11.724 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -18.431 22.114 -10.669 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -16.930 22.185 -9.768 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -17.584 23.839 -7.693 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.318 26.979 -9.960 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -18.614 26.233 -7.629 1.00 0.00 H new ATOM 216 N PRO A 16 -14.636 21.955 -11.208 1.00 0.00 N ATOM 217 CA PRO A 16 -13.547 20.974 -11.266 1.00 0.00 C ATOM 218 C PRO A 16 -13.940 19.635 -10.652 1.00 0.00 C ATOM 219 O PRO A 16 -14.444 19.578 -9.529 1.00 0.00 O ATOM 220 CB PRO A 16 -12.434 21.632 -10.447 1.00 0.00 C ATOM 221 CG PRO A 16 -13.142 22.553 -9.515 1.00 0.00 C ATOM 222 CD PRO A 16 -14.353 23.044 -10.258 1.00 0.00 C ATOM 0 HA PRO A 16 -13.260 20.743 -12.292 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.851 20.889 -9.902 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.739 22.175 -11.088 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.429 22.036 -8.599 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.499 23.384 -9.224 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.193 23.219 -9.586 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.155 23.984 -10.772 1.00 0.00 H new ATOM 230 N THR A 17 -13.706 18.557 -11.394 1.00 0.00 N ATOM 231 CA THR A 17 -14.036 17.218 -10.923 1.00 0.00 C ATOM 232 C THR A 17 -12.776 16.412 -10.632 1.00 0.00 C ATOM 233 O THR A 17 -11.958 16.174 -11.521 1.00 0.00 O ATOM 234 CB THR A 17 -14.893 16.456 -11.951 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.135 17.139 -12.156 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.162 15.034 -11.484 1.00 0.00 C ATOM 0 H THR A 17 -13.289 18.586 -12.324 1.00 0.00 H new ATOM 0 HA THR A 17 -14.608 17.339 -10.003 1.00 0.00 H new ATOM 0 HB THR A 17 -14.342 16.415 -12.891 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.673 16.649 -12.812 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.769 14.516 -12.226 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.216 14.508 -11.357 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.694 15.058 -10.533 1.00 0.00 H new ATOM 244 N THR A 18 -12.624 15.992 -9.379 1.00 0.00 N ATOM 245 CA THR A 18 -11.462 15.212 -8.971 1.00 0.00 C ATOM 246 C THR A 18 -11.711 13.719 -9.152 1.00 0.00 C ATOM 247 O THR A 18 -12.461 13.108 -8.390 1.00 0.00 O ATOM 248 CB THR A 18 -11.092 15.484 -7.500 1.00 0.00 C ATOM 249 OG1 THR A 18 -10.939 16.892 -7.286 1.00 0.00 O ATOM 250 CG2 THR A 18 -9.804 14.767 -7.125 1.00 0.00 C ATOM 0 H THR A 18 -13.291 16.179 -8.630 1.00 0.00 H new ATOM 0 HA THR A 18 -10.634 15.520 -9.610 1.00 0.00 H new ATOM 0 HB THR A 18 -11.897 15.106 -6.870 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.706 17.057 -6.349 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.563 14.974 -6.082 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.932 13.693 -7.262 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.993 15.120 -7.762 1.00 0.00 H new ATOM 258 N ILE A 19 -11.077 13.137 -10.164 1.00 0.00 N ATOM 259 CA ILE A 19 -11.229 11.715 -10.444 1.00 0.00 C ATOM 260 C ILE A 19 -9.968 10.943 -10.068 1.00 0.00 C ATOM 261 O ILE A 19 -8.871 11.268 -10.522 1.00 0.00 O ATOM 262 CB ILE A 19 -11.547 11.464 -11.930 1.00 0.00 C ATOM 263 CG1 ILE A 19 -12.617 12.443 -12.417 1.00 0.00 C ATOM 264 CG2 ILE A 19 -12.002 10.027 -12.138 1.00 0.00 C ATOM 265 CD1 ILE A 19 -12.972 12.272 -13.878 1.00 0.00 C ATOM 0 H ILE A 19 -10.453 13.629 -10.804 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.063 11.362 -9.838 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.641 11.626 -12.513 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.517 12.314 -11.815 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.267 13.462 -12.253 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.223 9.864 -13.193 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.211 9.346 -11.824 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.898 9.840 -11.546 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.736 12.999 -14.154 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.083 12.430 -14.489 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.352 11.264 -14.044 1.00 0.00 H new ATOM 277 N CYS A 20 -10.134 9.920 -9.238 1.00 0.00 N ATOM 278 CA CYS A 20 -9.009 9.100 -8.801 1.00 0.00 C ATOM 279 C CYS A 20 -9.001 7.757 -9.525 1.00 0.00 C ATOM 280 O CYS A 20 -9.992 7.027 -9.512 1.00 0.00 O ATOM 281 CB CYS A 20 -9.070 8.877 -7.289 1.00 0.00 C ATOM 282 SG CYS A 20 -10.619 8.145 -6.713 1.00 0.00 S ATOM 0 H CYS A 20 -11.036 9.638 -8.854 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.089 9.630 -9.046 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.243 8.231 -6.994 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.923 9.832 -6.785 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.047 7.288 -7.592 1.00 0.00 H new ATOM 288 N VAL A 21 -7.877 7.439 -10.159 1.00 0.00 N ATOM 289 CA VAL A 21 -7.739 6.185 -10.890 1.00 0.00 C ATOM 290 C VAL A 21 -6.504 5.417 -10.436 1.00 0.00 C ATOM 291 O VAL A 21 -5.436 5.997 -10.240 1.00 0.00 O ATOM 292 CB VAL A 21 -7.651 6.427 -12.409 1.00 0.00 C ATOM 293 CG1 VAL A 21 -7.588 5.105 -13.158 1.00 0.00 C ATOM 294 CG2 VAL A 21 -8.829 7.264 -12.884 1.00 0.00 C ATOM 0 H VAL A 21 -7.048 8.033 -10.181 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.629 5.594 -10.675 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.735 6.979 -12.619 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.526 5.296 -14.229 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.708 4.547 -12.838 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.484 4.523 -12.945 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.751 7.425 -13.959 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.760 6.741 -12.662 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.822 8.226 -12.371 1.00 0.00 H new ATOM 304 N VAL A 22 -6.656 4.107 -10.270 1.00 0.00 N ATOM 305 CA VAL A 22 -5.552 3.257 -9.841 1.00 0.00 C ATOM 306 C VAL A 22 -4.332 3.447 -10.735 1.00 0.00 C ATOM 307 O VAL A 22 -4.452 3.869 -11.885 1.00 0.00 O ATOM 308 CB VAL A 22 -5.952 1.770 -9.847 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.865 1.458 -8.670 1.00 0.00 C ATOM 310 CG2 VAL A 22 -6.622 1.404 -11.163 1.00 0.00 C ATOM 0 H VAL A 22 -7.534 3.611 -10.426 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.302 3.554 -8.822 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.049 1.168 -9.745 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.137 0.403 -8.691 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.346 1.681 -7.738 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.767 2.067 -8.738 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.898 0.350 -11.150 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.517 2.012 -11.297 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.932 1.588 -11.986 1.00 0.00 H new ATOM 320 N MET A 23 -3.157 3.131 -10.199 1.00 0.00 N ATOM 321 CA MET A 23 -1.914 3.266 -10.950 1.00 0.00 C ATOM 322 C MET A 23 -1.799 2.175 -12.010 1.00 0.00 C ATOM 323 O MET A 23 -0.933 2.234 -12.883 1.00 0.00 O ATOM 324 CB MET A 23 -0.713 3.203 -10.005 1.00 0.00 C ATOM 325 CG MET A 23 0.626 3.302 -10.717 1.00 0.00 C ATOM 326 SD MET A 23 1.416 1.696 -10.936 1.00 0.00 S ATOM 327 CE MET A 23 3.116 2.189 -11.210 1.00 0.00 C ATOM 0 H MET A 23 -3.040 2.780 -9.248 1.00 0.00 H new ATOM 0 HA MET A 23 -1.924 4.235 -11.450 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.790 4.012 -9.279 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.750 2.268 -9.446 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.481 3.767 -11.692 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.289 3.954 -10.148 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.732 1.303 -11.362 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.172 2.826 -12.093 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.480 2.739 -10.342 1.00 0.00 H new ATOM 337 N ASP A 24 -2.676 1.181 -11.927 1.00 0.00 N ATOM 338 CA ASP A 24 -2.673 0.077 -12.880 1.00 0.00 C ATOM 339 C ASP A 24 -3.651 0.341 -14.021 1.00 0.00 C ATOM 340 O ASP A 24 -3.581 -0.296 -15.072 1.00 0.00 O ATOM 341 CB ASP A 24 -3.032 -1.233 -12.177 1.00 0.00 C ATOM 342 CG ASP A 24 -1.940 -1.702 -11.235 1.00 0.00 C ATOM 343 OD1 ASP A 24 -1.260 -0.841 -10.641 1.00 0.00 O ATOM 344 OD2 ASP A 24 -1.766 -2.931 -11.093 1.00 0.00 O ATOM 0 H ASP A 24 -3.398 1.117 -11.210 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.670 -0.007 -13.298 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.958 -1.100 -11.618 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.219 -2.004 -12.925 1.00 0.00 H new ATOM 349 N ARG A 25 -4.564 1.283 -13.805 1.00 0.00 N ATOM 350 CA ARG A 25 -5.558 1.629 -14.814 1.00 0.00 C ATOM 351 C ARG A 25 -5.508 3.119 -15.137 1.00 0.00 C ATOM 352 O ARG A 25 -6.375 3.643 -15.837 1.00 0.00 O ATOM 353 CB ARG A 25 -6.959 1.247 -14.332 1.00 0.00 C ATOM 354 CG ARG A 25 -7.973 1.110 -15.456 1.00 0.00 C ATOM 355 CD ARG A 25 -7.603 -0.018 -16.406 1.00 0.00 C ATOM 356 NE ARG A 25 -7.409 -1.284 -15.703 1.00 0.00 N ATOM 357 CZ ARG A 25 -6.847 -2.353 -16.257 1.00 0.00 C ATOM 358 NH1 ARG A 25 -6.426 -2.309 -17.513 1.00 0.00 N ATOM 359 NH2 ARG A 25 -6.706 -3.469 -15.553 1.00 0.00 N ATOM 0 H ARG A 25 -4.636 1.820 -12.941 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.329 1.070 -15.721 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.902 0.304 -13.788 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.310 2.001 -13.627 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.961 0.923 -15.035 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.034 2.047 -16.009 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.388 -0.135 -17.153 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.690 0.243 -16.941 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.722 -1.351 -14.734 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.533 -1.453 -18.057 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.995 -3.131 -17.935 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.029 -3.506 -14.586 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.275 -4.289 -15.979 1.00 0.00 H new ATOM 373 N PHE A 26 -4.488 3.797 -14.622 1.00 0.00 N ATOM 374 CA PHE A 26 -4.326 5.228 -14.854 1.00 0.00 C ATOM 375 C PHE A 26 -4.332 5.541 -16.347 1.00 0.00 C ATOM 376 O PHE A 26 -4.865 6.564 -16.777 1.00 0.00 O ATOM 377 CB PHE A 26 -3.023 5.724 -14.223 1.00 0.00 C ATOM 378 CG PHE A 26 -1.796 5.340 -14.999 1.00 0.00 C ATOM 379 CD1 PHE A 26 -1.414 4.012 -15.103 1.00 0.00 C ATOM 380 CD2 PHE A 26 -1.026 6.306 -15.626 1.00 0.00 C ATOM 381 CE1 PHE A 26 -0.285 3.656 -15.816 1.00 0.00 C ATOM 382 CE2 PHE A 26 0.104 5.956 -16.341 1.00 0.00 C ATOM 383 CZ PHE A 26 0.474 4.629 -16.437 1.00 0.00 C ATOM 0 H PHE A 26 -3.761 3.379 -14.041 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.166 5.743 -14.389 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.062 6.810 -14.135 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.943 5.324 -13.212 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.005 3.247 -14.622 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.312 7.345 -15.555 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.004 2.618 -15.888 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.697 6.719 -16.824 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.355 4.352 -16.997 1.00 0.00 H new ATOM 393 N LEU A 27 -3.734 4.653 -17.134 1.00 0.00 N ATOM 394 CA LEU A 27 -3.669 4.833 -18.580 1.00 0.00 C ATOM 395 C LEU A 27 -5.053 4.704 -19.208 1.00 0.00 C ATOM 396 O LEU A 27 -5.490 5.580 -19.953 1.00 0.00 O ATOM 397 CB LEU A 27 -2.719 3.806 -19.199 1.00 0.00 C ATOM 398 CG LEU A 27 -2.522 3.901 -20.713 1.00 0.00 C ATOM 399 CD1 LEU A 27 -2.358 5.352 -21.140 1.00 0.00 C ATOM 400 CD2 LEU A 27 -1.319 3.076 -21.147 1.00 0.00 C ATOM 0 H LEU A 27 -3.287 3.801 -16.795 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.292 5.836 -18.780 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.745 3.906 -18.719 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.090 2.809 -18.963 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.409 3.498 -21.202 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.219 5.400 -22.220 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.249 5.916 -20.863 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.488 5.782 -20.643 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.194 3.155 -22.227 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.424 3.449 -20.650 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.477 2.032 -20.876 1.00 0.00 H new ATOM 412 N GLU A 28 -5.738 3.608 -18.898 1.00 0.00 N ATOM 413 CA GLU A 28 -7.074 3.366 -19.431 1.00 0.00 C ATOM 414 C GLU A 28 -7.990 4.557 -19.163 1.00 0.00 C ATOM 415 O GLU A 28 -8.741 4.986 -20.039 1.00 0.00 O ATOM 416 CB GLU A 28 -7.672 2.100 -18.815 1.00 0.00 C ATOM 417 CG GLU A 28 -8.559 1.319 -19.770 1.00 0.00 C ATOM 418 CD GLU A 28 -7.838 0.149 -20.412 1.00 0.00 C ATOM 419 OE1 GLU A 28 -6.861 0.388 -21.152 1.00 0.00 O ATOM 420 OE2 GLU A 28 -8.252 -1.005 -20.175 1.00 0.00 O ATOM 0 H GLU A 28 -5.390 2.874 -18.281 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.988 3.230 -20.509 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.862 1.455 -18.474 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.253 2.374 -17.935 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.432 0.951 -19.231 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.924 1.988 -20.549 1.00 0.00 H new ATOM 427 N SER A 29 -7.923 5.085 -17.945 1.00 0.00 N ATOM 428 CA SER A 29 -8.749 6.223 -17.558 1.00 0.00 C ATOM 429 C SER A 29 -8.400 7.454 -18.388 1.00 0.00 C ATOM 430 O SER A 29 -9.282 8.132 -18.916 1.00 0.00 O ATOM 431 CB SER A 29 -8.569 6.529 -16.070 1.00 0.00 C ATOM 432 OG SER A 29 -7.241 6.939 -15.791 1.00 0.00 O ATOM 0 H SER A 29 -7.305 4.743 -17.209 1.00 0.00 H new ATOM 0 HA SER A 29 -9.791 5.964 -17.744 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.265 7.312 -15.770 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.811 5.644 -15.482 1.00 0.00 H new ATOM 0 HG SER A 29 -6.619 6.443 -16.363 1.00 0.00 H new ATOM 438 N PHE A 30 -7.107 7.738 -18.500 1.00 0.00 N ATOM 439 CA PHE A 30 -6.639 8.888 -19.264 1.00 0.00 C ATOM 440 C PHE A 30 -7.078 8.787 -20.722 1.00 0.00 C ATOM 441 O PHE A 30 -7.514 9.770 -21.320 1.00 0.00 O ATOM 442 CB PHE A 30 -5.115 8.994 -19.185 1.00 0.00 C ATOM 443 CG PHE A 30 -4.580 10.309 -19.677 1.00 0.00 C ATOM 444 CD1 PHE A 30 -4.607 10.622 -21.026 1.00 0.00 C ATOM 445 CD2 PHE A 30 -4.050 11.232 -18.790 1.00 0.00 C ATOM 446 CE1 PHE A 30 -4.114 11.830 -21.481 1.00 0.00 C ATOM 447 CE2 PHE A 30 -3.556 12.442 -19.239 1.00 0.00 C ATOM 448 CZ PHE A 30 -3.589 12.742 -20.586 1.00 0.00 C ATOM 0 H PHE A 30 -6.364 7.187 -18.071 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.081 9.785 -18.831 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.801 8.847 -18.151 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.672 8.188 -19.770 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.018 9.914 -21.730 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.023 11.003 -17.735 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.139 12.061 -22.536 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.145 13.152 -18.537 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.205 13.688 -20.939 1.00 0.00 H new ATOM 458 N SER A 31 -6.960 7.590 -21.288 1.00 0.00 N ATOM 459 CA SER A 31 -7.340 7.359 -22.677 1.00 0.00 C ATOM 460 C SER A 31 -8.825 7.639 -22.887 1.00 0.00 C ATOM 461 O SER A 31 -9.204 8.396 -23.779 1.00 0.00 O ATOM 462 CB SER A 31 -7.017 5.920 -23.084 1.00 0.00 C ATOM 463 OG SER A 31 -6.889 5.805 -24.491 1.00 0.00 O ATOM 0 H SER A 31 -6.604 6.765 -20.806 1.00 0.00 H new ATOM 0 HA SER A 31 -6.767 8.043 -23.304 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.091 5.602 -22.604 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.804 5.253 -22.731 1.00 0.00 H new ATOM 0 HG SER A 31 -6.681 4.877 -24.726 1.00 0.00 H new ATOM 469 N GLU A 32 -9.660 7.020 -22.058 1.00 0.00 N ATOM 470 CA GLU A 32 -11.104 7.201 -22.153 1.00 0.00 C ATOM 471 C GLU A 32 -11.483 8.665 -21.948 1.00 0.00 C ATOM 472 O GLU A 32 -12.420 9.169 -22.570 1.00 0.00 O ATOM 473 CB GLU A 32 -11.819 6.328 -21.120 1.00 0.00 C ATOM 474 CG GLU A 32 -11.546 4.843 -21.285 1.00 0.00 C ATOM 475 CD GLU A 32 -12.557 4.160 -22.185 1.00 0.00 C ATOM 476 OE1 GLU A 32 -13.764 4.455 -22.052 1.00 0.00 O ATOM 477 OE2 GLU A 32 -12.143 3.331 -23.021 1.00 0.00 O ATOM 0 H GLU A 32 -9.362 6.389 -21.314 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.417 6.899 -23.152 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.512 6.637 -20.121 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.893 6.502 -21.191 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.547 4.705 -21.697 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.556 4.365 -20.306 1.00 0.00 H new ATOM 484 N LEU A 33 -10.750 9.343 -21.072 1.00 0.00 N ATOM 485 CA LEU A 33 -11.009 10.750 -20.784 1.00 0.00 C ATOM 486 C LEU A 33 -10.767 11.612 -22.018 1.00 0.00 C ATOM 487 O LEU A 33 -11.561 12.498 -22.335 1.00 0.00 O ATOM 488 CB LEU A 33 -10.122 11.226 -19.632 1.00 0.00 C ATOM 489 CG LEU A 33 -10.631 12.436 -18.848 1.00 0.00 C ATOM 490 CD1 LEU A 33 -10.650 13.674 -19.731 1.00 0.00 C ATOM 491 CD2 LEU A 33 -12.017 12.160 -18.284 1.00 0.00 C ATOM 0 H LEU A 33 -9.972 8.942 -20.549 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.055 10.850 -20.494 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.989 10.397 -18.936 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.138 11.466 -20.033 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.951 12.619 -18.016 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.015 14.525 -19.156 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.641 13.882 -20.087 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.308 13.503 -20.583 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.364 13.031 -17.729 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.708 11.952 -19.101 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.974 11.299 -17.617 1.00 0.00 H new ATOM 503 N TYR A 34 -9.666 11.346 -22.713 1.00 0.00 N ATOM 504 CA TYR A 34 -9.320 12.098 -23.913 1.00 0.00 C ATOM 505 C TYR A 34 -10.436 12.014 -24.950 1.00 0.00 C ATOM 506 O TYR A 34 -10.542 12.865 -25.833 1.00 0.00 O ATOM 507 CB TYR A 34 -8.013 11.571 -24.510 1.00 0.00 C ATOM 508 CG TYR A 34 -7.812 11.955 -25.958 1.00 0.00 C ATOM 509 CD1 TYR A 34 -7.717 13.289 -26.337 1.00 0.00 C ATOM 510 CD2 TYR A 34 -7.717 10.985 -26.948 1.00 0.00 C ATOM 511 CE1 TYR A 34 -7.534 13.644 -27.660 1.00 0.00 C ATOM 512 CE2 TYR A 34 -7.532 11.331 -28.272 1.00 0.00 C ATOM 513 CZ TYR A 34 -7.441 12.662 -28.623 1.00 0.00 C ATOM 514 OH TYR A 34 -7.258 13.011 -29.942 1.00 0.00 O ATOM 0 H TYR A 34 -8.998 10.616 -22.466 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.189 13.143 -23.631 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.176 11.949 -23.923 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.996 10.484 -24.425 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.787 14.061 -25.585 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.789 9.942 -26.677 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.464 14.685 -27.938 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.459 10.564 -29.029 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.212 12.201 -30.491 1.00 0.00 H new ATOM 524 N ASP A 35 -11.266 10.984 -24.834 1.00 0.00 N ATOM 525 CA ASP A 35 -12.376 10.788 -25.759 1.00 0.00 C ATOM 526 C ASP A 35 -13.623 11.520 -25.274 1.00 0.00 C ATOM 527 O ASP A 35 -14.141 12.404 -25.957 1.00 0.00 O ATOM 528 CB ASP A 35 -12.675 9.297 -25.923 1.00 0.00 C ATOM 529 CG ASP A 35 -12.320 8.783 -27.304 1.00 0.00 C ATOM 530 OD1 ASP A 35 -11.360 9.310 -27.905 1.00 0.00 O ATOM 531 OD2 ASP A 35 -13.003 7.854 -27.784 1.00 0.00 O ATOM 0 H ASP A 35 -11.191 10.271 -24.108 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.088 11.200 -26.726 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.118 8.733 -25.175 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.733 9.119 -25.733 1.00 0.00 H new ATOM 536 N ILE A 36 -14.100 11.145 -24.092 1.00 0.00 N ATOM 537 CA ILE A 36 -15.287 11.766 -23.516 1.00 0.00 C ATOM 538 C ILE A 36 -15.131 13.281 -23.437 1.00 0.00 C ATOM 539 O ILE A 36 -16.104 14.023 -23.575 1.00 0.00 O ATOM 540 CB ILE A 36 -15.582 11.217 -22.107 1.00 0.00 C ATOM 541 CG1 ILE A 36 -16.906 11.779 -21.585 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.443 11.559 -21.157 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.449 11.030 -20.388 1.00 0.00 C ATOM 0 H ILE A 36 -13.683 10.415 -23.515 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.121 11.523 -24.174 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.667 10.132 -22.165 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.766 12.826 -21.316 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.644 11.752 -22.386 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.665 11.165 -20.165 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.517 11.116 -21.524 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.329 12.642 -21.100 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.389 11.483 -20.071 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.621 9.988 -20.658 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.729 11.079 -19.571 1.00 0.00 H new ATOM 555 N ILE A 37 -13.901 13.733 -23.216 1.00 0.00 N ATOM 556 CA ILE A 37 -13.618 15.160 -23.122 1.00 0.00 C ATOM 557 C ILE A 37 -14.083 15.896 -24.373 1.00 0.00 C ATOM 558 O ILE A 37 -14.403 17.084 -24.324 1.00 0.00 O ATOM 559 CB ILE A 37 -12.114 15.422 -22.914 1.00 0.00 C ATOM 560 CG1 ILE A 37 -11.882 16.873 -22.487 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.341 15.109 -24.187 1.00 0.00 C ATOM 562 CD1 ILE A 37 -11.721 17.044 -20.993 1.00 0.00 C ATOM 0 H ILE A 37 -13.085 13.132 -23.099 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.167 15.535 -22.258 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.752 14.767 -22.122 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.990 17.252 -22.986 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -12.720 17.482 -22.826 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.280 15.299 -24.024 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.486 14.062 -24.452 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.703 15.742 -24.997 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.560 18.097 -20.763 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.622 16.696 -20.488 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.865 16.463 -20.650 1.00 0.00 H new ATOM 574 N ASP A 38 -14.120 15.183 -25.493 1.00 0.00 N ATOM 575 CA ASP A 38 -14.549 15.768 -26.759 1.00 0.00 C ATOM 576 C ASP A 38 -16.056 16.010 -26.762 1.00 0.00 C ATOM 577 O ASP A 38 -16.552 16.877 -27.480 1.00 0.00 O ATOM 578 CB ASP A 38 -14.164 14.855 -27.924 1.00 0.00 C ATOM 579 CG ASP A 38 -12.668 14.822 -28.163 1.00 0.00 C ATOM 580 OD1 ASP A 38 -11.913 15.246 -27.263 1.00 0.00 O ATOM 581 OD2 ASP A 38 -12.251 14.372 -29.251 1.00 0.00 O ATOM 0 H ASP A 38 -13.858 14.199 -25.551 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.045 16.727 -26.878 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -14.519 13.844 -27.723 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -14.666 15.195 -28.830 1.00 0.00 H new ATOM 586 N GLU A 39 -16.776 15.236 -25.955 1.00 0.00 N ATOM 587 CA GLU A 39 -18.226 15.366 -25.868 1.00 0.00 C ATOM 588 C GLU A 39 -18.622 16.263 -24.698 1.00 0.00 C ATOM 589 O GLU A 39 -17.805 16.563 -23.828 1.00 0.00 O ATOM 590 CB GLU A 39 -18.875 13.990 -25.712 1.00 0.00 C ATOM 591 CG GLU A 39 -20.255 13.893 -26.340 1.00 0.00 C ATOM 592 CD GLU A 39 -20.255 14.270 -27.809 1.00 0.00 C ATOM 593 OE1 GLU A 39 -19.212 14.086 -28.469 1.00 0.00 O ATOM 594 OE2 GLU A 39 -21.299 14.751 -28.297 1.00 0.00 O ATOM 0 H GLU A 39 -16.380 14.514 -25.353 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.580 15.824 -26.791 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -18.226 13.239 -26.163 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -18.950 13.751 -24.651 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -20.630 12.875 -26.230 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -20.942 14.546 -25.801 1.00 0.00 H new ATOM 601 N ASN A 40 -19.881 16.688 -24.686 1.00 0.00 N ATOM 602 CA ASN A 40 -20.386 17.551 -23.625 1.00 0.00 C ATOM 603 C ASN A 40 -21.495 16.857 -22.840 1.00 0.00 C ATOM 604 O ASN A 40 -22.518 17.464 -22.522 1.00 0.00 O ATOM 605 CB ASN A 40 -20.907 18.865 -24.212 1.00 0.00 C ATOM 606 CG ASN A 40 -21.116 19.929 -23.152 1.00 0.00 C ATOM 607 OD1 ASN A 40 -21.181 19.629 -21.959 1.00 0.00 O ATOM 608 ND2 ASN A 40 -21.224 21.180 -23.583 1.00 0.00 N ATOM 0 H ASN A 40 -20.570 16.449 -25.399 1.00 0.00 H new ATOM 0 HA ASN A 40 -19.563 17.766 -22.944 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -20.201 19.232 -24.957 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -21.849 18.681 -24.729 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -21.367 21.939 -22.916 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -21.164 21.383 -24.581 1.00 0.00 H new ATOM 615 N ASP A 41 -21.285 15.582 -22.531 1.00 0.00 N ATOM 616 CA ASP A 41 -22.266 14.805 -21.782 1.00 0.00 C ATOM 617 C ASP A 41 -22.023 14.925 -20.281 1.00 0.00 C ATOM 618 O ASP A 41 -21.235 14.174 -19.706 1.00 0.00 O ATOM 619 CB ASP A 41 -22.213 13.336 -22.204 1.00 0.00 C ATOM 620 CG ASP A 41 -22.786 13.110 -23.589 1.00 0.00 C ATOM 621 OD1 ASP A 41 -23.762 13.802 -23.948 1.00 0.00 O ATOM 622 OD2 ASP A 41 -22.257 12.243 -24.315 1.00 0.00 O ATOM 0 H ASP A 41 -20.444 15.065 -22.788 1.00 0.00 H new ATOM 0 HA ASP A 41 -23.256 15.204 -22.004 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -21.179 12.992 -22.181 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -22.765 12.734 -21.483 1.00 0.00 H new ATOM 627 N THR A 42 -22.705 15.877 -19.651 1.00 0.00 N ATOM 628 CA THR A 42 -22.562 16.097 -18.217 1.00 0.00 C ATOM 629 C THR A 42 -23.404 15.106 -17.422 1.00 0.00 C ATOM 630 O THR A 42 -23.062 14.753 -16.293 1.00 0.00 O ATOM 631 CB THR A 42 -22.971 17.530 -17.826 1.00 0.00 C ATOM 632 OG1 THR A 42 -22.620 18.443 -18.872 1.00 0.00 O ATOM 633 CG2 THR A 42 -22.294 17.951 -16.530 1.00 0.00 C ATOM 0 H THR A 42 -23.361 16.508 -20.111 1.00 0.00 H new ATOM 0 HA THR A 42 -21.509 15.949 -17.978 1.00 0.00 H new ATOM 0 HB THR A 42 -24.051 17.548 -17.676 1.00 0.00 H new ATOM 0 HG1 THR A 42 -22.885 19.351 -18.616 1.00 0.00 H new ATOM 0 HG21 THR A 42 -22.598 18.966 -16.274 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.587 17.272 -15.729 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.212 17.917 -16.657 1.00 0.00 H new ATOM 641 N ASP A 43 -24.504 14.659 -18.017 1.00 0.00 N ATOM 642 CA ASP A 43 -25.393 13.706 -17.364 1.00 0.00 C ATOM 643 C ASP A 43 -24.721 12.344 -17.223 1.00 0.00 C ATOM 644 O ASP A 43 -24.957 11.621 -16.255 1.00 0.00 O ATOM 645 CB ASP A 43 -26.695 13.567 -18.155 1.00 0.00 C ATOM 646 CG ASP A 43 -27.671 12.609 -17.500 1.00 0.00 C ATOM 647 OD1 ASP A 43 -28.474 13.064 -16.658 1.00 0.00 O ATOM 648 OD2 ASP A 43 -27.633 11.406 -17.829 1.00 0.00 O ATOM 0 H ASP A 43 -24.801 14.942 -18.951 1.00 0.00 H new ATOM 0 HA ASP A 43 -25.621 14.083 -16.367 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -27.163 14.546 -18.254 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -26.469 13.218 -19.163 1.00 0.00 H new ATOM 653 N VAL A 44 -23.884 11.999 -18.197 1.00 0.00 N ATOM 654 CA VAL A 44 -23.177 10.724 -18.182 1.00 0.00 C ATOM 655 C VAL A 44 -21.828 10.852 -17.484 1.00 0.00 C ATOM 656 O VAL A 44 -21.219 9.853 -17.101 1.00 0.00 O ATOM 657 CB VAL A 44 -22.957 10.187 -19.608 1.00 0.00 C ATOM 658 CG1 VAL A 44 -22.348 8.794 -19.567 1.00 0.00 C ATOM 659 CG2 VAL A 44 -24.265 10.183 -20.384 1.00 0.00 C ATOM 0 H VAL A 44 -23.679 12.585 -19.006 1.00 0.00 H new ATOM 0 HA VAL A 44 -23.802 10.022 -17.631 1.00 0.00 H new ATOM 0 HB VAL A 44 -22.258 10.848 -20.122 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -22.200 8.431 -20.584 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -21.388 8.832 -19.052 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -23.019 8.119 -19.035 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -24.090 9.800 -21.390 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -24.989 9.547 -19.874 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -24.655 11.199 -20.445 1.00 0.00 H new ATOM 669 N MET A 45 -21.366 12.087 -17.322 1.00 0.00 N ATOM 670 CA MET A 45 -20.089 12.346 -16.668 1.00 0.00 C ATOM 671 C MET A 45 -20.028 11.664 -15.305 1.00 0.00 C ATOM 672 O MET A 45 -19.069 10.957 -14.997 1.00 0.00 O ATOM 673 CB MET A 45 -19.869 13.852 -16.509 1.00 0.00 C ATOM 674 CG MET A 45 -18.908 14.437 -17.531 1.00 0.00 C ATOM 675 SD MET A 45 -17.892 15.762 -16.850 1.00 0.00 S ATOM 676 CE MET A 45 -16.601 14.819 -16.043 1.00 0.00 C ATOM 0 H MET A 45 -21.857 12.925 -17.635 1.00 0.00 H new ATOM 0 HA MET A 45 -19.298 11.935 -17.295 1.00 0.00 H new ATOM 0 HB2 MET A 45 -20.829 14.362 -16.592 1.00 0.00 H new ATOM 0 HB3 MET A 45 -19.487 14.051 -15.508 1.00 0.00 H new ATOM 0 HG2 MET A 45 -18.261 13.646 -17.910 1.00 0.00 H new ATOM 0 HG3 MET A 45 -19.475 14.819 -18.380 1.00 0.00 H new ATOM 0 HE1 MET A 45 -16.686 14.937 -14.963 1.00 0.00 H new ATOM 0 HE2 MET A 45 -16.704 13.765 -16.302 1.00 0.00 H new ATOM 0 HE3 MET A 45 -15.627 15.180 -16.372 1.00 0.00 H new ATOM 686 N MET A 46 -21.057 11.882 -14.492 1.00 0.00 N ATOM 687 CA MET A 46 -21.119 11.288 -13.162 1.00 0.00 C ATOM 688 C MET A 46 -20.890 9.781 -13.229 1.00 0.00 C ATOM 689 O MET A 46 -20.107 9.228 -12.456 1.00 0.00 O ATOM 690 CB MET A 46 -22.473 11.581 -12.512 1.00 0.00 C ATOM 691 CG MET A 46 -23.660 11.208 -13.385 1.00 0.00 C ATOM 692 SD MET A 46 -25.227 11.797 -12.716 1.00 0.00 S ATOM 693 CE MET A 46 -25.839 10.310 -11.928 1.00 0.00 C ATOM 0 H MET A 46 -21.859 12.465 -14.731 1.00 0.00 H new ATOM 0 HA MET A 46 -20.329 11.732 -12.556 1.00 0.00 H new ATOM 0 HB2 MET A 46 -22.540 11.037 -11.570 1.00 0.00 H new ATOM 0 HB3 MET A 46 -22.529 12.643 -12.271 1.00 0.00 H new ATOM 0 HG2 MET A 46 -23.517 11.623 -14.383 1.00 0.00 H new ATOM 0 HG3 MET A 46 -23.700 10.124 -13.493 1.00 0.00 H new ATOM 0 HE1 MET A 46 -26.805 10.514 -11.467 1.00 0.00 H new ATOM 0 HE2 MET A 46 -25.952 9.523 -12.674 1.00 0.00 H new ATOM 0 HE3 MET A 46 -25.133 9.986 -11.163 1.00 0.00 H new ATOM 703 N ASP A 47 -21.577 9.123 -14.156 1.00 0.00 N ATOM 704 CA ASP A 47 -21.447 7.680 -14.324 1.00 0.00 C ATOM 705 C ASP A 47 -20.001 7.296 -14.622 1.00 0.00 C ATOM 706 O ASP A 47 -19.506 6.279 -14.137 1.00 0.00 O ATOM 707 CB ASP A 47 -22.360 7.192 -15.449 1.00 0.00 C ATOM 708 CG ASP A 47 -22.586 5.694 -15.403 1.00 0.00 C ATOM 709 OD1 ASP A 47 -22.732 5.150 -14.288 1.00 0.00 O ATOM 710 OD2 ASP A 47 -22.616 5.064 -16.481 1.00 0.00 O ATOM 0 H ASP A 47 -22.230 9.566 -14.803 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.746 7.202 -13.391 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.320 7.703 -15.381 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.923 7.461 -16.410 1.00 0.00 H new ATOM 715 N PHE A 48 -19.330 8.115 -15.424 1.00 0.00 N ATOM 716 CA PHE A 48 -17.941 7.860 -15.789 1.00 0.00 C ATOM 717 C PHE A 48 -17.033 7.946 -14.566 1.00 0.00 C ATOM 718 O PHE A 48 -16.263 7.026 -14.287 1.00 0.00 O ATOM 719 CB PHE A 48 -17.479 8.859 -16.853 1.00 0.00 C ATOM 720 CG PHE A 48 -15.987 8.923 -17.007 1.00 0.00 C ATOM 721 CD1 PHE A 48 -15.292 7.876 -17.589 1.00 0.00 C ATOM 722 CD2 PHE A 48 -15.279 10.030 -16.568 1.00 0.00 C ATOM 723 CE1 PHE A 48 -13.918 7.932 -17.733 1.00 0.00 C ATOM 724 CE2 PHE A 48 -13.905 10.092 -16.709 1.00 0.00 C ATOM 725 CZ PHE A 48 -13.224 9.041 -17.291 1.00 0.00 C ATOM 0 H PHE A 48 -19.725 8.961 -15.834 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.878 6.851 -16.196 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.924 8.589 -17.811 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.853 9.850 -16.596 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.830 7.005 -17.935 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.806 10.854 -16.110 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.388 7.110 -18.191 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.365 10.961 -16.364 1.00 0.00 H new ATOM 0 HZ PHE A 48 -12.150 9.086 -17.400 1.00 0.00 H new ATOM 735 N ILE A 49 -17.129 9.055 -13.842 1.00 0.00 N ATOM 736 CA ILE A 49 -16.317 9.261 -12.649 1.00 0.00 C ATOM 737 C ILE A 49 -16.584 8.179 -11.609 1.00 0.00 C ATOM 738 O ILE A 49 -15.662 7.689 -10.957 1.00 0.00 O ATOM 739 CB ILE A 49 -16.582 10.641 -12.019 1.00 0.00 C ATOM 740 CG1 ILE A 49 -16.272 11.753 -13.023 1.00 0.00 C ATOM 741 CG2 ILE A 49 -15.753 10.814 -10.755 1.00 0.00 C ATOM 742 CD1 ILE A 49 -17.448 12.663 -13.299 1.00 0.00 C ATOM 0 H ILE A 49 -17.761 9.825 -14.060 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.275 9.209 -12.964 1.00 0.00 H new ATOM 0 HB ILE A 49 -17.636 10.705 -11.750 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.441 12.350 -12.646 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -15.943 11.304 -13.960 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -15.951 11.794 -10.321 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.019 10.039 -10.036 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -14.694 10.733 -11.000 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.156 13.427 -14.019 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.273 12.078 -13.705 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.764 13.141 -12.372 1.00 0.00 H new ATOM 754 N SER A 50 -17.852 7.809 -11.460 1.00 0.00 N ATOM 755 CA SER A 50 -18.242 6.786 -10.497 1.00 0.00 C ATOM 756 C SER A 50 -17.848 5.397 -10.991 1.00 0.00 C ATOM 757 O SER A 50 -17.636 4.481 -10.197 1.00 0.00 O ATOM 758 CB SER A 50 -19.750 6.841 -10.245 1.00 0.00 C ATOM 759 OG SER A 50 -20.102 8.002 -9.512 1.00 0.00 O ATOM 0 H SER A 50 -18.627 8.203 -11.994 1.00 0.00 H new ATOM 0 HA SER A 50 -17.717 6.983 -9.562 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.282 6.833 -11.197 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.063 5.952 -9.697 1.00 0.00 H new ATOM 0 HG SER A 50 -20.267 8.743 -10.132 1.00 0.00 H new ATOM 765 N ARG A 51 -17.752 5.249 -12.308 1.00 0.00 N ATOM 766 CA ARG A 51 -17.385 3.973 -12.910 1.00 0.00 C ATOM 767 C ARG A 51 -15.880 3.741 -12.816 1.00 0.00 C ATOM 768 O ARG A 51 -15.431 2.668 -12.413 1.00 0.00 O ATOM 769 CB ARG A 51 -17.829 3.928 -14.373 1.00 0.00 C ATOM 770 CG ARG A 51 -19.250 3.423 -14.563 1.00 0.00 C ATOM 771 CD ARG A 51 -19.696 3.545 -16.011 1.00 0.00 C ATOM 772 NE ARG A 51 -20.850 2.699 -16.302 1.00 0.00 N ATOM 773 CZ ARG A 51 -20.770 1.387 -16.495 1.00 0.00 C ATOM 774 NH1 ARG A 51 -19.596 0.775 -16.427 1.00 0.00 N ATOM 775 NH2 ARG A 51 -21.865 0.685 -16.755 1.00 0.00 N ATOM 0 H ARG A 51 -17.923 5.998 -12.979 1.00 0.00 H new ATOM 0 HA ARG A 51 -17.893 3.181 -12.360 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -17.748 4.928 -14.799 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -17.147 3.287 -14.931 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -19.312 2.381 -14.249 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -19.927 3.990 -13.924 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -19.945 4.584 -16.227 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -18.871 3.271 -16.669 1.00 0.00 H new ATOM 0 HE ARG A 51 -21.768 3.140 -16.360 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -18.752 1.312 -16.226 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -19.537 -0.232 -16.575 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -22.770 1.152 -16.807 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -21.802 -0.322 -16.903 1.00 0.00 H new ATOM 789 N PHE A 52 -15.106 4.753 -13.193 1.00 0.00 N ATOM 790 CA PHE A 52 -13.651 4.659 -13.153 1.00 0.00 C ATOM 791 C PHE A 52 -13.130 4.886 -11.737 1.00 0.00 C ATOM 792 O PHE A 52 -12.403 4.056 -11.191 1.00 0.00 O ATOM 793 CB PHE A 52 -13.027 5.678 -14.108 1.00 0.00 C ATOM 794 CG PHE A 52 -13.099 5.270 -15.552 1.00 0.00 C ATOM 795 CD1 PHE A 52 -14.322 5.153 -16.192 1.00 0.00 C ATOM 796 CD2 PHE A 52 -11.943 5.003 -16.268 1.00 0.00 C ATOM 797 CE1 PHE A 52 -14.391 4.777 -17.520 1.00 0.00 C ATOM 798 CE2 PHE A 52 -12.006 4.626 -17.597 1.00 0.00 C ATOM 799 CZ PHE A 52 -13.231 4.514 -18.224 1.00 0.00 C ATOM 0 H PHE A 52 -15.462 5.648 -13.530 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.368 3.655 -13.468 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.531 6.636 -13.984 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.983 5.829 -13.833 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -15.232 5.358 -15.647 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.982 5.090 -15.783 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -15.351 4.689 -18.007 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.098 4.419 -18.144 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.283 4.222 -19.262 1.00 0.00 H new ATOM 809 N ALA A 53 -13.507 6.016 -11.148 1.00 0.00 N ATOM 810 CA ALA A 53 -13.079 6.353 -9.796 1.00 0.00 C ATOM 811 C ALA A 53 -13.944 5.649 -8.756 1.00 0.00 C ATOM 812 O ALA A 53 -15.151 5.491 -8.943 1.00 0.00 O ATOM 813 CB ALA A 53 -13.121 7.859 -9.589 1.00 0.00 C ATOM 0 H ALA A 53 -14.108 6.714 -11.586 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.052 6.009 -9.670 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.799 8.096 -8.575 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.456 8.343 -10.304 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.139 8.219 -9.740 1.00 0.00 H new ATOM 819 N ARG A 54 -13.320 5.229 -7.660 1.00 0.00 N ATOM 820 CA ARG A 54 -14.033 4.540 -6.591 1.00 0.00 C ATOM 821 C ARG A 54 -14.110 5.411 -5.341 1.00 0.00 C ATOM 822 O ARG A 54 -13.258 5.323 -4.456 1.00 0.00 O ATOM 823 CB ARG A 54 -13.344 3.215 -6.262 1.00 0.00 C ATOM 824 CG ARG A 54 -14.232 2.238 -5.508 1.00 0.00 C ATOM 825 CD ARG A 54 -15.053 1.383 -6.460 1.00 0.00 C ATOM 826 NE ARG A 54 -14.235 0.382 -7.140 1.00 0.00 N ATOM 827 CZ ARG A 54 -13.751 -0.701 -6.542 1.00 0.00 C ATOM 828 NH1 ARG A 54 -14.001 -0.921 -5.259 1.00 0.00 N ATOM 829 NH2 ARG A 54 -13.014 -1.566 -7.228 1.00 0.00 N ATOM 0 H ARG A 54 -12.322 5.354 -7.489 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.047 4.338 -6.935 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.010 2.749 -7.189 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.453 3.416 -5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.616 1.595 -4.879 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.899 2.788 -4.844 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.849 0.885 -5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.533 2.023 -7.200 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.024 0.522 -8.128 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.566 -0.258 -4.729 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.628 -1.753 -4.802 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.819 -1.399 -8.215 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.643 -2.397 -6.768 1.00 0.00 H new ATOM 843 N THR A 55 -15.137 6.252 -5.274 1.00 0.00 N ATOM 844 CA THR A 55 -15.325 7.140 -4.133 1.00 0.00 C ATOM 845 C THR A 55 -15.883 6.383 -2.934 1.00 0.00 C ATOM 846 O THR A 55 -16.987 6.667 -2.467 1.00 0.00 O ATOM 847 CB THR A 55 -16.273 8.304 -4.478 1.00 0.00 C ATOM 848 OG1 THR A 55 -16.545 9.078 -3.304 1.00 0.00 O ATOM 849 CG2 THR A 55 -17.577 7.785 -5.063 1.00 0.00 C ATOM 0 H THR A 55 -15.852 6.337 -5.997 1.00 0.00 H new ATOM 0 HA THR A 55 -14.344 7.543 -3.880 1.00 0.00 H new ATOM 0 HB THR A 55 -15.785 8.933 -5.223 1.00 0.00 H new ATOM 0 HG1 THR A 55 -17.042 8.532 -2.660 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.230 8.625 -5.299 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.369 7.221 -5.972 1.00 0.00 H new ATOM 0 HG23 THR A 55 -18.068 7.136 -4.338 1.00 0.00 H new ATOM 857 N ASP A 56 -15.115 5.419 -2.438 1.00 0.00 N ATOM 858 CA ASP A 56 -15.532 4.622 -1.291 1.00 0.00 C ATOM 859 C ASP A 56 -14.555 4.786 -0.131 1.00 0.00 C ATOM 860 O ASP A 56 -13.686 5.657 -0.158 1.00 0.00 O ATOM 861 CB ASP A 56 -15.639 3.147 -1.679 1.00 0.00 C ATOM 862 CG ASP A 56 -16.809 2.455 -1.008 1.00 0.00 C ATOM 863 OD1 ASP A 56 -17.957 2.908 -1.200 1.00 0.00 O ATOM 864 OD2 ASP A 56 -16.577 1.459 -0.291 1.00 0.00 O ATOM 0 H ASP A 56 -14.200 5.171 -2.813 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.511 4.977 -0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.744 3.066 -2.761 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.715 2.636 -1.409 1.00 0.00 H new ATOM 869 N GLU A 57 -14.705 3.944 0.886 1.00 0.00 N ATOM 870 CA GLU A 57 -13.836 3.997 2.056 1.00 0.00 C ATOM 871 C GLU A 57 -12.410 3.595 1.694 1.00 0.00 C ATOM 872 O GLU A 57 -12.040 2.424 1.790 1.00 0.00 O ATOM 873 CB GLU A 57 -14.372 3.081 3.159 1.00 0.00 C ATOM 874 CG GLU A 57 -15.403 3.745 4.055 1.00 0.00 C ATOM 875 CD GLU A 57 -15.758 2.900 5.262 1.00 0.00 C ATOM 876 OE1 GLU A 57 -15.780 1.658 5.132 1.00 0.00 O ATOM 877 OE2 GLU A 57 -16.015 3.481 6.338 1.00 0.00 O ATOM 0 H GLU A 57 -15.420 3.217 0.924 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.823 5.024 2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.816 2.197 2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.538 2.738 3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -15.020 4.709 4.391 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.306 3.944 3.478 1.00 0.00 H new ATOM 884 N ILE A 58 -11.614 4.573 1.276 1.00 0.00 N ATOM 885 CA ILE A 58 -10.228 4.322 0.899 1.00 0.00 C ATOM 886 C ILE A 58 -9.284 4.587 2.067 1.00 0.00 C ATOM 887 O ILE A 58 -9.495 5.512 2.851 1.00 0.00 O ATOM 888 CB ILE A 58 -9.803 5.194 -0.297 1.00 0.00 C ATOM 889 CG1 ILE A 58 -8.328 4.959 -0.629 1.00 0.00 C ATOM 890 CG2 ILE A 58 -10.057 6.664 0.002 1.00 0.00 C ATOM 891 CD1 ILE A 58 -8.011 3.524 -0.987 1.00 0.00 C ATOM 0 H ILE A 58 -11.905 5.547 1.190 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.164 3.272 0.614 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.400 4.912 -1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.044 5.604 -1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.720 5.255 0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.751 7.267 -0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -11.119 6.818 0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -9.483 6.961 0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.948 3.431 -1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.264 2.875 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.593 3.230 -1.861 1.00 0.00 H new ATOM 903 N MET A 59 -8.242 3.769 2.176 1.00 0.00 N ATOM 904 CA MET A 59 -7.264 3.917 3.247 1.00 0.00 C ATOM 905 C MET A 59 -6.130 4.845 2.824 1.00 0.00 C ATOM 906 O MET A 59 -5.904 5.087 1.638 1.00 0.00 O ATOM 907 CB MET A 59 -6.699 2.551 3.643 1.00 0.00 C ATOM 908 CG MET A 59 -7.457 1.887 4.781 1.00 0.00 C ATOM 909 SD MET A 59 -6.851 0.228 5.145 1.00 0.00 S ATOM 910 CE MET A 59 -8.028 -0.297 6.389 1.00 0.00 C ATOM 0 H MET A 59 -8.054 2.997 1.536 1.00 0.00 H new ATOM 0 HA MET A 59 -7.769 4.357 4.107 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.716 1.894 2.774 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.655 2.669 3.933 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.375 2.504 5.676 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.515 1.835 4.526 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.786 -1.308 6.716 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.983 0.380 7.242 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.033 -0.283 5.968 1.00 0.00 H new ATOM 920 N PRO A 60 -5.400 5.379 3.814 1.00 0.00 N ATOM 921 CA PRO A 60 -4.277 6.289 3.568 1.00 0.00 C ATOM 922 C PRO A 60 -3.084 5.580 2.937 1.00 0.00 C ATOM 923 O PRO A 60 -2.158 6.224 2.443 1.00 0.00 O ATOM 924 CB PRO A 60 -3.919 6.797 4.966 1.00 0.00 C ATOM 925 CG PRO A 60 -4.387 5.726 5.890 1.00 0.00 C ATOM 926 CD PRO A 60 -5.613 5.134 5.250 1.00 0.00 C ATOM 0 HA PRO A 60 -4.540 7.081 2.867 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.846 6.963 5.064 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.410 7.747 5.180 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.616 4.968 6.032 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.618 6.133 6.874 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.705 4.070 5.467 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.524 5.613 5.608 1.00 0.00 H new ATOM 934 N GLU A 61 -3.112 4.251 2.956 1.00 0.00 N ATOM 935 CA GLU A 61 -2.031 3.456 2.386 1.00 0.00 C ATOM 936 C GLU A 61 -1.797 3.826 0.924 1.00 0.00 C ATOM 937 O GLU A 61 -0.697 3.654 0.398 1.00 0.00 O ATOM 938 CB GLU A 61 -2.350 1.964 2.501 1.00 0.00 C ATOM 939 CG GLU A 61 -1.854 1.333 3.792 1.00 0.00 C ATOM 940 CD GLU A 61 -2.822 1.525 4.944 1.00 0.00 C ATOM 941 OE1 GLU A 61 -2.754 2.582 5.605 1.00 0.00 O ATOM 942 OE2 GLU A 61 -3.646 0.619 5.184 1.00 0.00 O ATOM 0 H GLU A 61 -3.871 3.703 3.360 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.122 3.670 2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.429 1.825 2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.905 1.440 1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.692 0.267 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.889 1.766 4.057 1.00 0.00 H new ATOM 949 N ASP A 62 -2.838 4.333 0.274 1.00 0.00 N ATOM 950 CA ASP A 62 -2.747 4.728 -1.127 1.00 0.00 C ATOM 951 C ASP A 62 -1.560 5.659 -1.352 1.00 0.00 C ATOM 952 O ASP A 62 -1.052 6.274 -0.414 1.00 0.00 O ATOM 953 CB ASP A 62 -4.040 5.413 -1.571 1.00 0.00 C ATOM 954 CG ASP A 62 -5.083 4.423 -2.054 1.00 0.00 C ATOM 955 OD1 ASP A 62 -5.104 3.285 -1.540 1.00 0.00 O ATOM 956 OD2 ASP A 62 -5.878 4.788 -2.944 1.00 0.00 O ATOM 0 H ASP A 62 -3.755 4.480 0.695 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.599 3.828 -1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.447 5.989 -0.740 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.817 6.121 -2.370 1.00 0.00 H new ATOM 961 N LYS A 63 -1.121 5.758 -2.603 1.00 0.00 N ATOM 962 CA LYS A 63 0.006 6.614 -2.953 1.00 0.00 C ATOM 963 C LYS A 63 -0.308 7.446 -4.192 1.00 0.00 C ATOM 964 O LYS A 63 -1.281 7.184 -4.900 1.00 0.00 O ATOM 965 CB LYS A 63 1.258 5.769 -3.197 1.00 0.00 C ATOM 966 CG LYS A 63 2.087 5.534 -1.946 1.00 0.00 C ATOM 967 CD LYS A 63 3.100 4.419 -2.149 1.00 0.00 C ATOM 968 CE LYS A 63 4.303 4.899 -2.946 1.00 0.00 C ATOM 969 NZ LYS A 63 5.384 3.875 -2.988 1.00 0.00 N ATOM 0 H LYS A 63 -1.529 5.256 -3.391 1.00 0.00 H new ATOM 0 HA LYS A 63 0.189 7.291 -2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.961 4.806 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.878 6.261 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.606 6.453 -1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.429 5.282 -1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.430 4.044 -1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.627 3.586 -2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.992 5.141 -3.962 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.689 5.817 -2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.119 4.173 -3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.803 3.773 -2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.987 2.963 -3.291 1.00 0.00 H new ATOM 983 N THR A 64 0.524 8.451 -4.451 1.00 0.00 N ATOM 984 CA THR A 64 0.335 9.321 -5.605 1.00 0.00 C ATOM 985 C THR A 64 1.417 9.087 -6.653 1.00 0.00 C ATOM 986 O THR A 64 2.605 9.045 -6.335 1.00 0.00 O ATOM 987 CB THR A 64 0.346 10.806 -5.196 1.00 0.00 C ATOM 988 OG1 THR A 64 -0.510 11.009 -4.066 1.00 0.00 O ATOM 989 CG2 THR A 64 -0.110 11.688 -6.349 1.00 0.00 C ATOM 0 H THR A 64 1.335 8.682 -3.877 1.00 0.00 H new ATOM 0 HA THR A 64 -0.638 9.075 -6.030 1.00 0.00 H new ATOM 0 HB THR A 64 1.367 11.080 -4.932 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.496 11.955 -3.811 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.094 12.732 -6.037 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.560 11.553 -7.198 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.124 11.412 -6.640 1.00 0.00 H new ATOM 997 N VAL A 65 0.998 8.936 -7.906 1.00 0.00 N ATOM 998 CA VAL A 65 1.932 8.707 -9.002 1.00 0.00 C ATOM 999 C VAL A 65 1.986 9.910 -9.937 1.00 0.00 C ATOM 1000 O VAL A 65 2.911 10.047 -10.736 1.00 0.00 O ATOM 1001 CB VAL A 65 1.549 7.456 -9.814 1.00 0.00 C ATOM 1002 CG1 VAL A 65 1.596 6.215 -8.937 1.00 0.00 C ATOM 1003 CG2 VAL A 65 0.171 7.627 -10.437 1.00 0.00 C ATOM 0 H VAL A 65 0.018 8.968 -8.187 1.00 0.00 H new ATOM 0 HA VAL A 65 2.914 8.553 -8.555 1.00 0.00 H new ATOM 0 HB VAL A 65 2.274 7.330 -10.619 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.322 5.341 -9.528 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.604 6.086 -8.543 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.895 6.327 -8.110 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.084 6.734 -11.007 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.568 7.778 -9.650 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.176 8.492 -11.101 1.00 0.00 H new ATOM 1013 N GLY A 66 0.987 10.781 -9.831 1.00 0.00 N ATOM 1014 CA GLY A 66 0.940 11.962 -10.673 1.00 0.00 C ATOM 1015 C GLY A 66 -0.417 12.637 -10.650 1.00 0.00 C ATOM 1016 O GLY A 66 -1.387 12.081 -10.132 1.00 0.00 O ATOM 0 H GLY A 66 0.210 10.690 -9.177 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.700 12.670 -10.343 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.187 11.684 -11.698 1.00 0.00 H new ATOM 1020 N PHE A 67 -0.488 13.840 -11.210 1.00 0.00 N ATOM 1021 CA PHE A 67 -1.736 14.593 -11.249 1.00 0.00 C ATOM 1022 C PHE A 67 -1.937 15.243 -12.615 1.00 0.00 C ATOM 1023 O PHE A 67 -1.022 15.857 -13.163 1.00 0.00 O ATOM 1024 CB PHE A 67 -1.745 15.664 -10.156 1.00 0.00 C ATOM 1025 CG PHE A 67 -2.921 16.595 -10.239 1.00 0.00 C ATOM 1026 CD1 PHE A 67 -4.202 16.099 -10.414 1.00 0.00 C ATOM 1027 CD2 PHE A 67 -2.744 17.966 -10.140 1.00 0.00 C ATOM 1028 CE1 PHE A 67 -5.286 16.954 -10.491 1.00 0.00 C ATOM 1029 CE2 PHE A 67 -3.824 18.825 -10.216 1.00 0.00 C ATOM 1030 CZ PHE A 67 -5.097 18.318 -10.391 1.00 0.00 C ATOM 0 H PHE A 67 0.304 14.314 -11.643 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.556 13.897 -11.073 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.746 15.177 -9.181 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.826 16.246 -10.221 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.356 15.033 -10.491 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.751 18.368 -10.002 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -6.280 16.555 -10.629 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.673 19.892 -10.139 1.00 0.00 H new ATOM 0 HZ PHE A 67 -5.943 18.987 -10.449 1.00 0.00 H new ATOM 1040 N VAL A 68 -3.141 15.101 -13.160 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.463 15.673 -14.461 1.00 0.00 C ATOM 1042 C VAL A 68 -4.471 16.810 -14.328 1.00 0.00 C ATOM 1043 O VAL A 68 -5.536 16.643 -13.732 1.00 0.00 O ATOM 1044 CB VAL A 68 -4.031 14.608 -15.418 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.422 15.237 -16.747 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -3.023 13.488 -15.625 1.00 0.00 C ATOM 0 H VAL A 68 -3.909 14.594 -12.720 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.532 16.063 -14.874 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.928 14.181 -14.968 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.821 14.469 -17.410 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.181 16.001 -16.579 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.545 15.692 -17.206 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.440 12.744 -16.304 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.108 13.897 -16.053 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.798 13.019 -14.667 1.00 0.00 H new ATOM 1056 N VAL A 69 -4.128 17.966 -14.886 1.00 0.00 N ATOM 1057 CA VAL A 69 -5.004 19.131 -14.831 1.00 0.00 C ATOM 1058 C VAL A 69 -5.670 19.382 -16.179 1.00 0.00 C ATOM 1059 O VAL A 69 -4.998 19.645 -17.176 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.231 20.394 -14.409 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -5.188 21.552 -14.172 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.396 20.119 -13.168 1.00 0.00 C ATOM 0 H VAL A 69 -3.250 18.121 -15.381 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.770 18.917 -14.086 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.556 20.672 -15.218 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.623 22.436 -13.875 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.737 21.764 -15.090 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.891 21.287 -13.382 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.857 21.023 -12.885 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.049 19.815 -12.350 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.683 19.322 -13.379 1.00 0.00 H new ATOM 1072 N VAL A 70 -6.996 19.299 -16.202 1.00 0.00 N ATOM 1073 CA VAL A 70 -7.755 19.519 -17.428 1.00 0.00 C ATOM 1074 C VAL A 70 -8.859 20.548 -17.214 1.00 0.00 C ATOM 1075 O VAL A 70 -9.843 20.283 -16.525 1.00 0.00 O ATOM 1076 CB VAL A 70 -8.381 18.209 -17.943 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -9.223 18.471 -19.182 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -7.300 17.179 -18.231 1.00 0.00 C ATOM 0 H VAL A 70 -7.567 19.081 -15.386 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.053 19.894 -18.172 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.034 17.809 -17.167 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.657 17.534 -19.532 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.021 19.172 -18.938 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.595 18.895 -19.966 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.760 16.260 -18.594 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.620 17.568 -18.989 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.744 16.970 -17.317 1.00 0.00 H new ATOM 1088 N ASN A 71 -8.688 21.724 -17.810 1.00 0.00 N ATOM 1089 CA ASN A 71 -9.671 22.794 -17.684 1.00 0.00 C ATOM 1090 C ASN A 71 -10.178 23.231 -19.055 1.00 0.00 C ATOM 1091 O ASN A 71 -9.525 24.007 -19.751 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.062 23.990 -16.949 1.00 0.00 C ATOM 1093 CG ASN A 71 -10.114 24.855 -16.282 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -11.307 24.727 -16.561 1.00 0.00 O ATOM 1095 ND2 ASN A 71 -9.676 25.742 -15.397 1.00 0.00 N ATOM 0 H ASN A 71 -7.879 21.960 -18.384 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.514 22.413 -17.108 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.360 23.631 -16.196 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.492 24.595 -17.654 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.337 26.352 -14.917 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.678 25.813 -15.197 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.347 22.726 -19.436 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.943 23.065 -20.722 1.00 0.00 C ATOM 1104 C ALA A 72 -12.456 24.501 -20.727 1.00 0.00 C ATOM 1105 O ALA A 72 -12.504 25.150 -21.773 1.00 0.00 O ATOM 1106 CB ALA A 72 -13.070 22.099 -21.053 1.00 0.00 C ATOM 0 H ALA A 72 -11.900 22.081 -18.872 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.171 22.980 -21.486 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.506 22.365 -22.016 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.677 21.084 -21.100 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.837 22.156 -20.280 1.00 0.00 H new ATOM 1112 N ASP A 73 -12.840 24.992 -19.554 1.00 0.00 N ATOM 1113 CA ASP A 73 -13.350 26.352 -19.423 1.00 0.00 C ATOM 1114 C ASP A 73 -12.228 27.371 -19.593 1.00 0.00 C ATOM 1115 O ASP A 73 -12.331 28.294 -20.402 1.00 0.00 O ATOM 1116 CB ASP A 73 -14.023 26.538 -18.062 1.00 0.00 C ATOM 1117 CG ASP A 73 -15.000 27.697 -18.054 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -15.273 28.250 -19.139 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -15.491 28.052 -16.961 1.00 0.00 O ATOM 0 H ASP A 73 -12.808 24.468 -18.679 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.087 26.515 -20.209 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.548 25.622 -17.791 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.260 26.705 -17.302 1.00 0.00 H new ATOM 1124 N LYS A 74 -11.157 27.199 -18.826 1.00 0.00 N ATOM 1125 CA LYS A 74 -10.015 28.103 -18.891 1.00 0.00 C ATOM 1126 C LYS A 74 -9.112 27.755 -20.070 1.00 0.00 C ATOM 1127 O LYS A 74 -8.218 28.522 -20.429 1.00 0.00 O ATOM 1128 CB LYS A 74 -9.215 28.042 -17.588 1.00 0.00 C ATOM 1129 CG LYS A 74 -9.955 28.619 -16.393 1.00 0.00 C ATOM 1130 CD LYS A 74 -9.017 28.867 -15.224 1.00 0.00 C ATOM 1131 CE LYS A 74 -8.301 30.202 -15.357 1.00 0.00 C ATOM 1132 NZ LYS A 74 -7.433 30.486 -14.181 1.00 0.00 N ATOM 0 H LYS A 74 -11.056 26.441 -18.151 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.393 29.116 -19.031 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.957 27.004 -17.378 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.278 28.583 -17.721 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.437 29.554 -16.679 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.745 27.933 -16.088 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.582 28.847 -14.292 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.283 28.063 -15.168 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.695 30.200 -16.263 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.036 30.999 -15.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.963 31.405 -14.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.014 30.513 -13.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.715 29.739 -14.091 1.00 0.00 H new ATOM 1146 N LYS A 75 -9.352 26.595 -20.671 1.00 0.00 N ATOM 1147 CA LYS A 75 -8.564 26.146 -21.813 1.00 0.00 C ATOM 1148 C LYS A 75 -7.108 25.922 -21.414 1.00 0.00 C ATOM 1149 O LYS A 75 -6.193 26.456 -22.042 1.00 0.00 O ATOM 1150 CB LYS A 75 -8.641 27.170 -22.947 1.00 0.00 C ATOM 1151 CG LYS A 75 -10.051 27.659 -23.230 1.00 0.00 C ATOM 1152 CD LYS A 75 -10.086 28.605 -24.418 1.00 0.00 C ATOM 1153 CE LYS A 75 -10.129 27.844 -25.735 1.00 0.00 C ATOM 1154 NZ LYS A 75 -11.497 27.340 -26.040 1.00 0.00 N ATOM 0 H LYS A 75 -10.087 25.948 -20.386 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.978 25.199 -22.159 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.012 28.025 -22.697 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.230 26.727 -23.854 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.701 26.806 -23.424 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.445 28.166 -22.349 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.959 29.254 -24.343 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.207 29.250 -24.397 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.794 28.495 -26.542 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.434 27.005 -25.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.484 26.827 -26.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.807 26.698 -25.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.156 28.142 -26.106 1.00 0.00 H new ATOM 1168 N LEU A 76 -6.901 25.130 -20.368 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.556 24.834 -19.887 1.00 0.00 C ATOM 1170 C LEU A 76 -5.422 23.361 -19.516 1.00 0.00 C ATOM 1171 O LEU A 76 -6.163 22.852 -18.675 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.223 25.709 -18.676 1.00 0.00 C ATOM 1173 CG LEU A 76 -4.518 27.032 -18.978 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -5.010 28.125 -18.042 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -3.009 26.870 -18.865 1.00 0.00 C ATOM 0 H LEU A 76 -7.647 24.681 -19.837 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.853 25.052 -20.691 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.149 25.927 -18.145 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.595 25.132 -17.998 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.757 27.324 -20.001 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.497 29.059 -18.272 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.084 28.259 -18.172 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.802 27.841 -17.010 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.524 27.821 -19.083 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.752 26.555 -17.854 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.669 26.118 -19.577 1.00 0.00 H new ATOM 1187 N MET A 77 -4.470 22.682 -20.147 1.00 0.00 N ATOM 1188 CA MET A 77 -4.237 21.267 -19.881 1.00 0.00 C ATOM 1189 C MET A 77 -2.783 21.020 -19.492 1.00 0.00 C ATOM 1190 O MET A 77 -1.865 21.351 -20.242 1.00 0.00 O ATOM 1191 CB MET A 77 -4.598 20.428 -21.108 1.00 0.00 C ATOM 1192 CG MET A 77 -6.030 20.625 -21.579 1.00 0.00 C ATOM 1193 SD MET A 77 -6.150 20.847 -23.364 1.00 0.00 S ATOM 1194 CE MET A 77 -7.783 21.570 -23.506 1.00 0.00 C ATOM 0 H MET A 77 -3.848 23.088 -20.846 1.00 0.00 H new ATOM 0 HA MET A 77 -4.874 20.970 -19.048 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.919 20.679 -21.922 1.00 0.00 H new ATOM 0 HB3 MET A 77 -4.442 19.374 -20.876 1.00 0.00 H new ATOM 0 HG2 MET A 77 -6.627 19.763 -21.283 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.456 21.495 -21.079 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.121 21.505 -24.540 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.477 21.029 -22.863 1.00 0.00 H new ATOM 0 HE3 MET A 77 -7.746 22.616 -23.201 1.00 0.00 H new ATOM 1204 N SER A 78 -2.581 20.437 -18.314 1.00 0.00 N ATOM 1205 CA SER A 78 -1.238 20.149 -17.824 1.00 0.00 C ATOM 1206 C SER A 78 -1.199 18.806 -17.101 1.00 0.00 C ATOM 1207 O SER A 78 -1.712 18.672 -15.990 1.00 0.00 O ATOM 1208 CB SER A 78 -0.766 21.261 -16.885 1.00 0.00 C ATOM 1209 OG SER A 78 -0.870 22.531 -17.505 1.00 0.00 O ATOM 0 H SER A 78 -3.330 20.155 -17.682 1.00 0.00 H new ATOM 0 HA SER A 78 -0.568 20.099 -18.682 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.362 21.248 -15.973 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.268 21.079 -16.592 1.00 0.00 H new ATOM 0 HG SER A 78 -0.564 23.224 -16.884 1.00 0.00 H new ATOM 1215 N VAL A 79 -0.588 17.814 -17.740 1.00 0.00 N ATOM 1216 CA VAL A 79 -0.480 16.481 -17.159 1.00 0.00 C ATOM 1217 C VAL A 79 0.837 16.313 -16.411 1.00 0.00 C ATOM 1218 O VAL A 79 1.892 16.731 -16.888 1.00 0.00 O ATOM 1219 CB VAL A 79 -0.588 15.388 -18.239 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -1.846 15.582 -19.072 1.00 0.00 C ATOM 1221 CG2 VAL A 79 0.651 15.387 -19.121 1.00 0.00 C ATOM 0 H VAL A 79 -0.160 17.908 -18.661 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.308 16.372 -16.459 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.655 14.419 -17.745 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.905 14.800 -19.830 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.722 15.528 -18.426 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.814 16.557 -19.558 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.558 14.609 -19.878 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.752 16.357 -19.608 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.533 15.195 -18.510 1.00 0.00 H new ATOM 1231 N SER A 80 0.768 15.697 -15.234 1.00 0.00 N ATOM 1232 CA SER A 80 1.955 15.476 -14.417 1.00 0.00 C ATOM 1233 C SER A 80 2.093 14.002 -14.047 1.00 0.00 C ATOM 1234 O SER A 80 1.479 13.531 -13.089 1.00 0.00 O ATOM 1235 CB SER A 80 1.893 16.329 -13.148 1.00 0.00 C ATOM 1236 OG SER A 80 3.177 16.466 -12.563 1.00 0.00 O ATOM 0 H SER A 80 -0.097 15.343 -14.826 1.00 0.00 H new ATOM 0 HA SER A 80 2.828 15.769 -15.001 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.492 17.314 -13.387 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.210 15.872 -12.432 1.00 0.00 H new ATOM 0 HG SER A 80 3.111 17.016 -11.755 1.00 0.00 H new ATOM 1242 N PHE A 81 2.903 13.279 -14.813 1.00 0.00 N ATOM 1243 CA PHE A 81 3.122 11.859 -14.567 1.00 0.00 C ATOM 1244 C PHE A 81 4.470 11.625 -13.892 1.00 0.00 C ATOM 1245 O PHE A 81 5.482 12.203 -14.287 1.00 0.00 O ATOM 1246 CB PHE A 81 3.053 11.076 -15.880 1.00 0.00 C ATOM 1247 CG PHE A 81 1.651 10.844 -16.367 1.00 0.00 C ATOM 1248 CD1 PHE A 81 0.810 11.913 -16.634 1.00 0.00 C ATOM 1249 CD2 PHE A 81 1.173 9.558 -16.558 1.00 0.00 C ATOM 1250 CE1 PHE A 81 -0.480 11.703 -17.082 1.00 0.00 C ATOM 1251 CE2 PHE A 81 -0.116 9.342 -17.007 1.00 0.00 C ATOM 1252 CZ PHE A 81 -0.944 10.416 -17.268 1.00 0.00 C ATOM 0 H PHE A 81 3.419 13.653 -15.609 1.00 0.00 H new ATOM 0 HA PHE A 81 2.336 11.506 -13.900 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.610 11.616 -16.645 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.546 10.113 -15.746 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.167 12.922 -16.490 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.815 8.714 -16.354 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.125 12.545 -17.287 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.476 8.334 -17.154 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.952 10.250 -17.617 1.00 0.00 H new ATOM 1262 N SER A 82 4.474 10.773 -12.872 1.00 0.00 N ATOM 1263 CA SER A 82 5.697 10.465 -12.139 1.00 0.00 C ATOM 1264 C SER A 82 5.772 8.977 -11.809 1.00 0.00 C ATOM 1265 O SER A 82 4.754 8.335 -11.550 1.00 0.00 O ATOM 1266 CB SER A 82 5.765 11.288 -10.851 1.00 0.00 C ATOM 1267 OG SER A 82 6.589 10.657 -9.886 1.00 0.00 O ATOM 0 H SER A 82 3.645 10.284 -12.534 1.00 0.00 H new ATOM 0 HA SER A 82 6.546 10.723 -12.772 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.153 12.282 -11.071 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.761 11.420 -10.447 1.00 0.00 H new ATOM 0 HG SER A 82 6.617 11.203 -9.073 1.00 0.00 H new ATOM 1273 N ASP A 83 6.985 8.436 -11.822 1.00 0.00 N ATOM 1274 CA ASP A 83 7.195 7.024 -11.523 1.00 0.00 C ATOM 1275 C ASP A 83 6.406 6.141 -12.485 1.00 0.00 C ATOM 1276 O ASP A 83 5.606 5.307 -12.062 1.00 0.00 O ATOM 1277 CB ASP A 83 6.788 6.719 -10.081 1.00 0.00 C ATOM 1278 CG ASP A 83 7.834 7.162 -9.077 1.00 0.00 C ATOM 1279 OD1 ASP A 83 7.814 8.346 -8.683 1.00 0.00 O ATOM 1280 OD2 ASP A 83 8.674 6.324 -8.687 1.00 0.00 O ATOM 0 H ASP A 83 7.838 8.953 -12.036 1.00 0.00 H new ATOM 0 HA ASP A 83 8.256 6.807 -11.646 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.844 7.216 -9.860 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.617 5.648 -9.974 1.00 0.00 H new ATOM 1285 N ILE A 84 6.637 6.333 -13.780 1.00 0.00 N ATOM 1286 CA ILE A 84 5.947 5.555 -14.801 1.00 0.00 C ATOM 1287 C ILE A 84 6.936 4.950 -15.792 1.00 0.00 C ATOM 1288 O ILE A 84 8.069 5.415 -15.916 1.00 0.00 O ATOM 1289 CB ILE A 84 4.926 6.414 -15.570 1.00 0.00 C ATOM 1290 CG1 ILE A 84 5.625 7.601 -16.236 1.00 0.00 C ATOM 1291 CG2 ILE A 84 3.828 6.896 -14.635 1.00 0.00 C ATOM 1292 CD1 ILE A 84 4.818 8.230 -17.350 1.00 0.00 C ATOM 0 H ILE A 84 7.296 7.020 -14.146 1.00 0.00 H new ATOM 0 HA ILE A 84 5.418 4.754 -14.284 1.00 0.00 H new ATOM 0 HB ILE A 84 4.470 5.801 -16.348 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.838 8.357 -15.481 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.584 7.270 -16.635 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.114 7.502 -15.194 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.315 6.037 -14.203 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.267 7.495 -13.837 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.375 9.065 -17.776 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.627 7.488 -18.125 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.870 8.592 -16.953 1.00 0.00 H new ATOM 1304 N ASP A 85 6.498 3.913 -16.498 1.00 0.00 N ATOM 1305 CA ASP A 85 7.343 3.246 -17.481 1.00 0.00 C ATOM 1306 C ASP A 85 7.771 4.217 -18.578 1.00 0.00 C ATOM 1307 O ASP A 85 7.084 5.200 -18.851 1.00 0.00 O ATOM 1308 CB ASP A 85 6.606 2.056 -18.096 1.00 0.00 C ATOM 1309 CG ASP A 85 6.563 0.859 -17.166 1.00 0.00 C ATOM 1310 OD1 ASP A 85 5.716 0.851 -16.248 1.00 0.00 O ATOM 1311 OD2 ASP A 85 7.375 -0.070 -17.358 1.00 0.00 O ATOM 0 H ASP A 85 5.563 3.516 -16.408 1.00 0.00 H new ATOM 0 HA ASP A 85 8.236 2.886 -16.970 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.588 2.353 -18.348 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.095 1.771 -19.028 1.00 0.00 H new ATOM 1316 N GLU A 86 8.910 3.933 -19.202 1.00 0.00 N ATOM 1317 CA GLU A 86 9.429 4.782 -20.268 1.00 0.00 C ATOM 1318 C GLU A 86 8.637 4.583 -21.557 1.00 0.00 C ATOM 1319 O GLU A 86 8.508 5.500 -22.367 1.00 0.00 O ATOM 1320 CB GLU A 86 10.909 4.482 -20.514 1.00 0.00 C ATOM 1321 CG GLU A 86 11.194 3.017 -20.800 1.00 0.00 C ATOM 1322 CD GLU A 86 12.642 2.766 -21.169 1.00 0.00 C ATOM 1323 OE1 GLU A 86 13.478 3.666 -20.943 1.00 0.00 O ATOM 1324 OE2 GLU A 86 12.941 1.668 -21.685 1.00 0.00 O ATOM 0 H GLU A 86 9.491 3.122 -18.988 1.00 0.00 H new ATOM 0 HA GLU A 86 9.323 5.821 -19.954 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.258 5.082 -21.354 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.484 4.792 -19.641 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.938 2.423 -19.923 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.552 2.678 -21.613 1.00 0.00 H new ATOM 1331 N ASN A 87 8.108 3.378 -21.739 1.00 0.00 N ATOM 1332 CA ASN A 87 7.329 3.057 -22.930 1.00 0.00 C ATOM 1333 C ASN A 87 5.941 3.685 -22.858 1.00 0.00 C ATOM 1334 O ASN A 87 5.477 4.303 -23.816 1.00 0.00 O ATOM 1335 CB ASN A 87 7.206 1.540 -23.091 1.00 0.00 C ATOM 1336 CG ASN A 87 8.507 0.899 -23.534 1.00 0.00 C ATOM 1337 OD1 ASN A 87 9.252 0.352 -22.720 1.00 0.00 O ATOM 1338 ND2 ASN A 87 8.787 0.963 -24.831 1.00 0.00 N ATOM 0 H ASN A 87 8.204 2.608 -21.078 1.00 0.00 H new ATOM 0 HA ASN A 87 7.850 3.467 -23.795 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.892 1.101 -22.144 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.427 1.317 -23.820 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.648 0.549 -25.188 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.141 1.426 -25.470 1.00 0.00 H new ATOM 1345 N MET A 88 5.283 3.524 -21.714 1.00 0.00 N ATOM 1346 CA MET A 88 3.948 4.077 -21.516 1.00 0.00 C ATOM 1347 C MET A 88 3.950 5.588 -21.726 1.00 0.00 C ATOM 1348 O MET A 88 2.937 6.173 -22.110 1.00 0.00 O ATOM 1349 CB MET A 88 3.439 3.746 -20.112 1.00 0.00 C ATOM 1350 CG MET A 88 1.958 3.406 -20.068 1.00 0.00 C ATOM 1351 SD MET A 88 1.643 1.645 -20.292 1.00 0.00 S ATOM 1352 CE MET A 88 1.239 1.157 -18.617 1.00 0.00 C ATOM 0 H MET A 88 5.652 3.015 -20.911 1.00 0.00 H new ATOM 0 HA MET A 88 3.282 3.626 -22.251 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.009 2.905 -19.717 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.628 4.596 -19.456 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.544 3.727 -19.112 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.437 3.966 -20.845 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.019 0.090 -18.592 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.085 1.368 -17.962 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.367 1.715 -18.276 1.00 0.00 H new ATOM 1362 N LYS A 89 5.093 6.215 -21.471 1.00 0.00 N ATOM 1363 CA LYS A 89 5.227 7.658 -21.633 1.00 0.00 C ATOM 1364 C LYS A 89 4.875 8.081 -23.055 1.00 0.00 C ATOM 1365 O LYS A 89 4.273 9.133 -23.270 1.00 0.00 O ATOM 1366 CB LYS A 89 6.654 8.099 -21.296 1.00 0.00 C ATOM 1367 CG LYS A 89 6.850 8.458 -19.833 1.00 0.00 C ATOM 1368 CD LYS A 89 8.259 8.962 -19.567 1.00 0.00 C ATOM 1369 CE LYS A 89 8.355 10.469 -19.750 1.00 0.00 C ATOM 1370 NZ LYS A 89 7.841 11.207 -18.563 1.00 0.00 N ATOM 0 H LYS A 89 5.941 5.746 -21.151 1.00 0.00 H new ATOM 0 HA LYS A 89 4.532 8.142 -20.947 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.345 7.299 -21.561 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.914 8.961 -21.911 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.129 9.223 -19.545 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.652 7.584 -19.213 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.556 8.698 -18.552 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.957 8.467 -20.242 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.394 10.747 -19.929 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.789 10.764 -20.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.924 12.230 -18.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.843 10.961 -18.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.397 10.945 -17.724 1.00 0.00 H new ATOM 1384 N LYS A 90 5.254 7.255 -24.024 1.00 0.00 N ATOM 1385 CA LYS A 90 4.976 7.542 -25.427 1.00 0.00 C ATOM 1386 C LYS A 90 3.475 7.659 -25.671 1.00 0.00 C ATOM 1387 O LYS A 90 2.998 8.668 -26.191 1.00 0.00 O ATOM 1388 CB LYS A 90 5.564 6.446 -26.318 1.00 0.00 C ATOM 1389 CG LYS A 90 5.779 6.883 -27.757 1.00 0.00 C ATOM 1390 CD LYS A 90 6.925 6.124 -28.405 1.00 0.00 C ATOM 1391 CE LYS A 90 8.255 6.827 -28.183 1.00 0.00 C ATOM 1392 NZ LYS A 90 8.477 7.919 -29.170 1.00 0.00 N ATOM 0 H LYS A 90 5.755 6.381 -23.864 1.00 0.00 H new ATOM 0 HA LYS A 90 5.442 8.495 -25.677 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.517 6.121 -25.899 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.899 5.583 -26.305 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.865 6.720 -28.328 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.987 7.953 -27.786 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.973 5.115 -27.995 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.739 6.025 -29.474 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.284 7.238 -27.174 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.066 6.102 -28.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.394 8.373 -28.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.474 7.523 -30.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.718 8.624 -29.084 1.00 0.00 H new ATOM 1406 N VAL A 91 2.735 6.622 -25.292 1.00 0.00 N ATOM 1407 CA VAL A 91 1.288 6.611 -25.467 1.00 0.00 C ATOM 1408 C VAL A 91 0.636 7.780 -24.736 1.00 0.00 C ATOM 1409 O VAL A 91 -0.081 8.579 -25.338 1.00 0.00 O ATOM 1410 CB VAL A 91 0.671 5.294 -24.959 1.00 0.00 C ATOM 1411 CG1 VAL A 91 -0.838 5.303 -25.148 1.00 0.00 C ATOM 1412 CG2 VAL A 91 1.298 4.104 -25.669 1.00 0.00 C ATOM 0 H VAL A 91 3.114 5.778 -24.862 1.00 0.00 H new ATOM 0 HA VAL A 91 1.098 6.704 -26.536 1.00 0.00 H new ATOM 0 HB VAL A 91 0.879 5.203 -23.893 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.256 4.365 -24.783 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.270 6.134 -24.590 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.071 5.417 -26.207 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.851 3.182 -25.298 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.123 4.187 -26.742 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.371 4.090 -25.477 1.00 0.00 H new ATOM 1422 N ILE A 92 0.891 7.873 -23.435 1.00 0.00 N ATOM 1423 CA ILE A 92 0.331 8.945 -22.622 1.00 0.00 C ATOM 1424 C ILE A 92 0.647 10.311 -23.221 1.00 0.00 C ATOM 1425 O ILE A 92 -0.233 11.162 -23.354 1.00 0.00 O ATOM 1426 CB ILE A 92 0.864 8.894 -21.178 1.00 0.00 C ATOM 1427 CG1 ILE A 92 0.462 7.578 -20.510 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.345 10.080 -20.380 1.00 0.00 C ATOM 1429 CD1 ILE A 92 1.330 7.211 -19.326 1.00 0.00 C ATOM 0 H ILE A 92 1.482 7.219 -22.922 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.749 8.798 -22.607 1.00 0.00 H new ATOM 0 HB ILE A 92 1.952 8.948 -21.205 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.575 7.648 -20.182 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.509 6.776 -21.247 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.730 10.030 -19.362 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.677 11.007 -20.848 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.744 10.055 -20.357 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.987 6.267 -18.902 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.365 7.108 -19.652 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.264 7.993 -18.570 1.00 0.00 H new ATOM 1441 N LYS A 93 1.909 10.515 -23.583 1.00 0.00 N ATOM 1442 CA LYS A 93 2.343 11.776 -24.171 1.00 0.00 C ATOM 1443 C LYS A 93 1.554 12.085 -25.440 1.00 0.00 C ATOM 1444 O LYS A 93 1.153 13.226 -25.670 1.00 0.00 O ATOM 1445 CB LYS A 93 3.840 11.727 -24.488 1.00 0.00 C ATOM 1446 CG LYS A 93 4.412 13.063 -24.932 1.00 0.00 C ATOM 1447 CD LYS A 93 5.747 12.891 -25.635 1.00 0.00 C ATOM 1448 CE LYS A 93 6.859 12.565 -24.650 1.00 0.00 C ATOM 1449 NZ LYS A 93 7.218 13.742 -23.810 1.00 0.00 N ATOM 0 H LYS A 93 2.650 9.822 -23.479 1.00 0.00 H new ATOM 0 HA LYS A 93 2.157 12.569 -23.446 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.379 11.386 -23.604 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.013 10.989 -25.271 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.708 13.557 -25.602 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.537 13.712 -24.066 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.670 12.094 -26.375 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.995 13.804 -26.176 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.546 11.742 -24.007 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.740 12.226 -25.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.121 13.561 -23.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.311 14.584 -24.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.473 13.904 -23.103 1.00 0.00 H new ATOM 1463 N ALA A 94 1.334 11.062 -26.258 1.00 0.00 N ATOM 1464 CA ALA A 94 0.590 11.223 -27.501 1.00 0.00 C ATOM 1465 C ALA A 94 -0.846 11.656 -27.229 1.00 0.00 C ATOM 1466 O ALA A 94 -1.369 12.558 -27.884 1.00 0.00 O ATOM 1467 CB ALA A 94 0.611 9.929 -28.301 1.00 0.00 C ATOM 0 H ALA A 94 1.661 10.112 -26.082 1.00 0.00 H new ATOM 0 HA ALA A 94 1.073 12.006 -28.086 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.051 10.064 -29.227 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.642 9.663 -28.536 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.155 9.131 -27.715 1.00 0.00 H new ATOM 1473 N THR A 95 -1.481 11.006 -26.258 1.00 0.00 N ATOM 1474 CA THR A 95 -2.858 11.323 -25.901 1.00 0.00 C ATOM 1475 C THR A 95 -2.978 12.753 -25.386 1.00 0.00 C ATOM 1476 O THR A 95 -3.904 13.477 -25.749 1.00 0.00 O ATOM 1477 CB THR A 95 -3.396 10.357 -24.828 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.204 9.001 -25.249 1.00 0.00 O ATOM 1479 CG2 THR A 95 -4.873 10.607 -24.566 1.00 0.00 C ATOM 0 H THR A 95 -1.063 10.257 -25.705 1.00 0.00 H new ATOM 0 HA THR A 95 -3.452 11.216 -26.808 1.00 0.00 H new ATOM 0 HB THR A 95 -2.845 10.532 -23.904 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.255 8.767 -25.176 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.230 9.913 -23.805 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.013 11.630 -24.218 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.436 10.457 -25.487 1.00 0.00 H new ATOM 1487 N ALA A 96 -2.035 13.153 -24.540 1.00 0.00 N ATOM 1488 CA ALA A 96 -2.034 14.498 -23.978 1.00 0.00 C ATOM 1489 C ALA A 96 -1.711 15.538 -25.044 1.00 0.00 C ATOM 1490 O ALA A 96 -2.213 16.661 -25.001 1.00 0.00 O ATOM 1491 CB ALA A 96 -1.040 14.590 -22.830 1.00 0.00 C ATOM 0 H ALA A 96 -1.262 12.565 -24.229 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.034 14.706 -23.596 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.050 15.600 -22.420 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.317 13.879 -22.051 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.040 14.357 -23.195 1.00 0.00 H new ATOM 1497 N GLU A 97 -0.870 15.157 -26.001 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.479 16.060 -27.077 1.00 0.00 C ATOM 1499 C GLU A 97 -1.613 16.229 -28.084 1.00 0.00 C ATOM 1500 O GLU A 97 -1.763 17.286 -28.697 1.00 0.00 O ATOM 1501 CB GLU A 97 0.772 15.533 -27.785 1.00 0.00 C ATOM 1502 CG GLU A 97 2.069 15.912 -27.090 1.00 0.00 C ATOM 1503 CD GLU A 97 3.294 15.566 -27.914 1.00 0.00 C ATOM 1504 OE1 GLU A 97 3.181 14.705 -28.811 1.00 0.00 O ATOM 1505 OE2 GLU A 97 4.365 16.155 -27.661 1.00 0.00 O ATOM 0 H GLU A 97 -0.447 14.230 -26.053 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.257 17.033 -26.638 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.710 14.447 -27.854 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.791 15.916 -28.805 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.066 16.982 -26.881 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.125 15.400 -26.129 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.410 15.178 -28.250 1.00 0.00 N ATOM 1513 CA LYS A 98 -3.532 15.208 -29.181 1.00 0.00 C ATOM 1514 C LYS A 98 -4.536 16.288 -28.789 1.00 0.00 C ATOM 1515 O LYS A 98 -5.257 16.816 -29.636 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.225 13.844 -29.221 1.00 0.00 C ATOM 1517 CG LYS A 98 -4.462 13.324 -30.628 1.00 0.00 C ATOM 1518 CD LYS A 98 -3.155 13.123 -31.376 1.00 0.00 C ATOM 1519 CE LYS A 98 -3.336 12.209 -32.579 1.00 0.00 C ATOM 1520 NZ LYS A 98 -2.223 12.352 -33.557 1.00 0.00 N ATOM 0 H LYS A 98 -2.299 14.295 -27.752 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.143 15.441 -30.172 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.620 13.122 -28.673 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.182 13.916 -28.703 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.004 12.380 -30.581 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.091 14.026 -31.175 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.771 14.088 -31.706 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.411 12.697 -30.703 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.393 11.174 -32.243 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.282 12.438 -33.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.384 11.713 -34.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.184 13.334 -33.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.323 12.109 -33.096 1.00 0.00 H new ATOM 1534 N PHE A 99 -4.576 16.614 -27.502 1.00 0.00 N ATOM 1535 CA PHE A 99 -5.491 17.631 -26.998 1.00 0.00 C ATOM 1536 C PHE A 99 -5.282 18.957 -27.725 1.00 0.00 C ATOM 1537 O PHE A 99 -6.180 19.798 -27.776 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.293 17.826 -25.493 1.00 0.00 C ATOM 1539 CG PHE A 99 -6.095 16.871 -24.656 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -5.577 15.636 -24.301 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -7.367 17.208 -24.223 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -6.312 14.755 -23.530 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -8.107 16.332 -23.451 1.00 0.00 C ATOM 1544 CZ PHE A 99 -7.579 15.103 -23.106 1.00 0.00 C ATOM 0 H PHE A 99 -3.985 16.188 -26.788 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.510 17.291 -27.182 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.236 17.707 -25.255 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.566 18.847 -25.228 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.587 15.358 -24.631 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.786 18.167 -24.492 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.896 13.796 -23.260 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.097 16.608 -23.118 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.156 14.416 -22.506 1.00 0.00 H new ATOM 1554 N LYS A 100 -4.091 19.137 -28.286 1.00 0.00 N ATOM 1555 CA LYS A 100 -3.763 20.358 -29.011 1.00 0.00 C ATOM 1556 C LYS A 100 -4.848 20.695 -30.029 1.00 0.00 C ATOM 1557 O LYS A 100 -5.079 21.863 -30.340 1.00 0.00 O ATOM 1558 CB LYS A 100 -2.414 20.209 -29.718 1.00 0.00 C ATOM 1559 CG LYS A 100 -1.228 20.600 -28.853 1.00 0.00 C ATOM 1560 CD LYS A 100 -0.920 22.083 -28.966 1.00 0.00 C ATOM 1561 CE LYS A 100 -0.165 22.399 -30.248 1.00 0.00 C ATOM 1562 NZ LYS A 100 -1.083 22.818 -31.344 1.00 0.00 N ATOM 0 H LYS A 100 -3.336 18.452 -28.252 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.700 21.173 -28.290 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.294 19.174 -30.039 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.415 20.824 -30.618 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.437 20.349 -27.813 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.353 20.022 -29.151 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.849 22.652 -28.940 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.329 22.399 -28.107 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.558 23.192 -30.057 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.399 21.521 -30.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.053 22.115 -32.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.053 22.889 -30.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.784 23.743 -31.712 1.00 0.00 H new ATOM 1576 N ASN A 101 -5.511 19.664 -30.543 1.00 0.00 N ATOM 1577 CA ASN A 101 -6.572 19.852 -31.525 1.00 0.00 C ATOM 1578 C ASN A 101 -7.584 20.886 -31.042 1.00 0.00 C ATOM 1579 O ASN A 101 -8.010 21.757 -31.802 1.00 0.00 O ATOM 1580 CB ASN A 101 -7.278 18.523 -31.804 1.00 0.00 C ATOM 1581 CG ASN A 101 -6.491 17.639 -32.752 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -5.872 18.121 -33.700 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -6.511 16.335 -32.498 1.00 0.00 N ATOM 0 H ASN A 101 -5.332 18.691 -30.296 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.119 20.216 -32.447 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.435 17.994 -30.864 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -8.263 18.720 -32.228 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -6.000 15.690 -33.100 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.038 15.979 -31.701 1.00 0.00 H new ATOM 1590 N LYS A 102 -7.965 20.785 -29.773 1.00 0.00 N ATOM 1591 CA LYS A 102 -8.925 21.712 -29.186 1.00 0.00 C ATOM 1592 C LYS A 102 -8.374 22.327 -27.903 1.00 0.00 C ATOM 1593 O LYS A 102 -9.131 22.731 -27.022 1.00 0.00 O ATOM 1594 CB LYS A 102 -10.245 20.994 -28.894 1.00 0.00 C ATOM 1595 CG LYS A 102 -10.998 20.573 -30.144 1.00 0.00 C ATOM 1596 CD LYS A 102 -12.132 19.616 -29.816 1.00 0.00 C ATOM 1597 CE LYS A 102 -12.437 18.692 -30.985 1.00 0.00 C ATOM 1598 NZ LYS A 102 -13.383 19.314 -31.952 1.00 0.00 N ATOM 0 H LYS A 102 -7.623 20.070 -29.131 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.104 22.513 -29.904 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.042 20.111 -28.288 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.882 21.650 -28.300 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.398 21.455 -30.643 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -10.309 20.097 -30.842 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.867 19.022 -28.941 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.026 20.184 -29.557 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.510 18.437 -31.498 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.861 17.760 -30.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.565 18.653 -32.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.278 19.535 -31.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.968 20.190 -32.329 1.00 0.00 H new ATOM 1612 N GLY A 103 -7.050 22.395 -27.807 1.00 0.00 N ATOM 1613 CA GLY A 103 -6.420 22.963 -26.629 1.00 0.00 C ATOM 1614 C GLY A 103 -5.061 23.562 -26.930 1.00 0.00 C ATOM 1615 O GLY A 103 -4.039 22.885 -26.824 1.00 0.00 O ATOM 0 H GLY A 103 -6.402 22.067 -28.524 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -7.068 23.733 -26.210 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.312 22.189 -25.869 1.00 0.00 H new ATOM 1619 N PHE A 104 -5.048 24.836 -27.308 1.00 0.00 N ATOM 1620 CA PHE A 104 -3.804 25.526 -27.628 1.00 0.00 C ATOM 1621 C PHE A 104 -2.869 25.548 -26.423 1.00 0.00 C ATOM 1622 O PHE A 104 -1.650 25.649 -26.570 1.00 0.00 O ATOM 1623 CB PHE A 104 -4.094 26.956 -28.089 1.00 0.00 C ATOM 1624 CG PHE A 104 -4.552 27.862 -26.982 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -5.893 27.944 -26.647 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -3.640 28.631 -26.276 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -6.317 28.778 -25.629 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -4.058 29.466 -25.257 1.00 0.00 C ATOM 1629 CZ PHE A 104 -5.399 29.538 -24.932 1.00 0.00 C ATOM 0 H PHE A 104 -5.885 25.411 -27.400 1.00 0.00 H new ATOM 0 HA PHE A 104 -3.314 24.983 -28.436 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.194 27.373 -28.540 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.858 26.931 -28.866 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.616 27.350 -27.187 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -2.591 28.577 -26.525 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.366 28.835 -25.379 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.338 30.061 -24.716 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.728 30.187 -24.134 1.00 0.00 H new ATOM 1639 N LYS A 105 -3.447 25.453 -25.231 1.00 0.00 N ATOM 1640 CA LYS A 105 -2.667 25.461 -23.998 1.00 0.00 C ATOM 1641 C LYS A 105 -2.526 24.051 -23.435 1.00 0.00 C ATOM 1642 O LYS A 105 -3.401 23.569 -22.715 1.00 0.00 O ATOM 1643 CB LYS A 105 -3.325 26.373 -22.960 1.00 0.00 C ATOM 1644 CG LYS A 105 -2.330 27.121 -22.090 1.00 0.00 C ATOM 1645 CD LYS A 105 -1.479 28.076 -22.910 1.00 0.00 C ATOM 1646 CE LYS A 105 -0.656 28.994 -22.019 1.00 0.00 C ATOM 1647 NZ LYS A 105 0.621 29.400 -22.670 1.00 0.00 N ATOM 0 H LYS A 105 -4.454 25.369 -25.092 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.672 25.842 -24.229 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.960 27.095 -23.473 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.974 25.774 -22.322 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.865 27.678 -21.321 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -1.686 26.407 -21.577 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.815 27.507 -23.560 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -2.121 28.674 -23.556 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -1.239 29.883 -21.776 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -0.439 28.488 -21.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 1.153 30.025 -22.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.189 28.554 -22.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.414 29.905 -23.555 1.00 0.00 H new ATOM 1661 N VAL A 106 -1.418 23.395 -23.765 1.00 0.00 N ATOM 1662 CA VAL A 106 -1.161 22.041 -23.290 1.00 0.00 C ATOM 1663 C VAL A 106 0.261 21.906 -22.758 1.00 0.00 C ATOM 1664 O VAL A 106 1.189 22.528 -23.274 1.00 0.00 O ATOM 1665 CB VAL A 106 -1.381 21.003 -24.406 1.00 0.00 C ATOM 1666 CG1 VAL A 106 -0.493 21.310 -25.603 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -1.120 19.597 -23.886 1.00 0.00 C ATOM 0 H VAL A 106 -0.684 23.780 -24.360 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.868 21.850 -22.482 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.420 21.059 -24.730 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.662 20.566 -26.382 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.733 22.301 -25.989 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.553 21.283 -25.297 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.280 18.877 -24.688 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.091 19.525 -23.534 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.801 19.381 -23.063 1.00 0.00 H new ATOM 1677 N GLU A 107 0.425 21.088 -21.722 1.00 0.00 N ATOM 1678 CA GLU A 107 1.735 20.872 -21.120 1.00 0.00 C ATOM 1679 C GLU A 107 1.828 19.479 -20.505 1.00 0.00 C ATOM 1680 O GLU A 107 0.828 18.918 -20.054 1.00 0.00 O ATOM 1681 CB GLU A 107 2.012 21.933 -20.053 1.00 0.00 C ATOM 1682 CG GLU A 107 2.673 23.187 -20.598 1.00 0.00 C ATOM 1683 CD GLU A 107 3.272 24.052 -19.507 1.00 0.00 C ATOM 1684 OE1 GLU A 107 4.369 23.712 -19.016 1.00 0.00 O ATOM 1685 OE2 GLU A 107 2.645 25.069 -19.143 1.00 0.00 O ATOM 0 H GLU A 107 -0.333 20.565 -21.283 1.00 0.00 H new ATOM 0 HA GLU A 107 2.486 20.954 -21.906 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.073 22.207 -19.573 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.650 21.502 -19.282 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.455 22.904 -21.302 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.938 23.768 -21.155 1.00 0.00 H new ATOM 1692 N THR A 108 3.036 18.924 -20.490 1.00 0.00 N ATOM 1693 CA THR A 108 3.260 17.596 -19.932 1.00 0.00 C ATOM 1694 C THR A 108 4.587 17.532 -19.183 1.00 0.00 C ATOM 1695 O THR A 108 5.634 17.886 -19.725 1.00 0.00 O ATOM 1696 CB THR A 108 3.251 16.516 -21.030 1.00 0.00 C ATOM 1697 OG1 THR A 108 4.458 16.586 -21.797 1.00 0.00 O ATOM 1698 CG2 THR A 108 2.051 16.690 -21.949 1.00 0.00 C ATOM 0 H THR A 108 3.874 19.374 -20.858 1.00 0.00 H new ATOM 0 HA THR A 108 2.443 17.403 -19.237 1.00 0.00 H new ATOM 0 HB THR A 108 3.183 15.541 -20.548 1.00 0.00 H new ATOM 0 HG1 THR A 108 5.145 17.061 -21.284 1.00 0.00 H new ATOM 0 HG21 THR A 108 2.065 15.916 -22.717 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.133 16.607 -21.368 1.00 0.00 H new ATOM 0 HG23 THR A 108 2.094 17.671 -22.422 1.00 0.00 H new ATOM 1706 N ASP A 109 4.535 17.076 -17.936 1.00 0.00 N ATOM 1707 CA ASP A 109 5.734 16.963 -17.113 1.00 0.00 C ATOM 1708 C ASP A 109 6.685 15.913 -17.680 1.00 0.00 C ATOM 1709 O ASP A 109 6.261 14.829 -18.078 1.00 0.00 O ATOM 1710 CB ASP A 109 5.358 16.606 -15.674 1.00 0.00 C ATOM 1711 CG ASP A 109 4.662 17.747 -14.958 1.00 0.00 C ATOM 1712 OD1 ASP A 109 3.465 17.974 -15.229 1.00 0.00 O ATOM 1713 OD2 ASP A 109 5.315 18.412 -14.126 1.00 0.00 O ATOM 0 H ASP A 109 3.676 16.779 -17.473 1.00 0.00 H new ATOM 0 HA ASP A 109 6.242 17.927 -17.119 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.707 15.732 -15.678 1.00 0.00 H new ATOM 0 HB3 ASP A 109 6.258 16.331 -15.124 1.00 0.00 H new ATOM 1718 N MET A 110 7.971 16.244 -17.713 1.00 0.00 N ATOM 1719 CA MET A 110 8.982 15.329 -18.230 1.00 0.00 C ATOM 1720 C MET A 110 9.838 14.768 -17.099 1.00 0.00 C ATOM 1721 O MET A 110 10.953 15.235 -16.860 1.00 0.00 O ATOM 1722 CB MET A 110 9.870 16.041 -19.252 1.00 0.00 C ATOM 1723 CG MET A 110 9.150 16.389 -20.545 1.00 0.00 C ATOM 1724 SD MET A 110 10.280 16.609 -21.932 1.00 0.00 S ATOM 1725 CE MET A 110 11.330 17.919 -21.308 1.00 0.00 C ATOM 0 H MET A 110 8.338 17.139 -17.388 1.00 0.00 H new ATOM 0 HA MET A 110 8.470 14.500 -18.719 1.00 0.00 H new ATOM 0 HB2 MET A 110 10.262 16.955 -18.806 1.00 0.00 H new ATOM 0 HB3 MET A 110 10.726 15.407 -19.482 1.00 0.00 H new ATOM 0 HG2 MET A 110 8.438 15.599 -20.784 1.00 0.00 H new ATOM 0 HG3 MET A 110 8.575 17.304 -20.401 1.00 0.00 H new ATOM 0 HE1 MET A 110 11.953 18.302 -22.116 1.00 0.00 H new ATOM 0 HE2 MET A 110 10.711 18.725 -20.913 1.00 0.00 H new ATOM 0 HE3 MET A 110 11.966 17.528 -20.514 1.00 0.00 H new TER 1735 MET A 110