USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=34 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 10 SER OG : rot 55:sc=-0.00786 USER MOD Set 1.2: A 71 ASN :FLIP amide:sc= -0.734 F(o=-1.9,f=-0.74) USER MOD Set 2.1: A 4 CYS SG : rot -22:sc= 0.696 USER MOD Set 2.2: A 6 MET CE :methyl -158:sc= -0.0528 (180deg=-0.12) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.519 (180deg=-0.035) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -177:sc= 0.17 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 161:sc= -0.78 (180deg=-1.34) USER MOD Single : A 14 SER OG : rot 160:sc= -0.0441 USER MOD Single : A 15 HIS : no HD1:sc= -0.56 K(o=-0.56,f=-1.2) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 35:sc= 0.0971 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -150:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.662 USER MOD Single : A 40 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.13) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -121:sc= -0.0138 (180deg=-1.4) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 56:sc= 0.786 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0416) USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0763) USER MOD Single : A 77 MET CE :methyl 168:sc= -0.706 (180deg=-0.773) USER MOD Single : A 78 SER OG : rot -124:sc= 0.188 USER MOD Single : A 80 SER OG : rot 162:sc= 1.89 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+ -117:sc= 0 (180deg=-0.558) USER MOD Single : A 95 THR OG1 : rot 75:sc= 0.374 USER MOD Single : A 98 LYS NZ :NH3+ -164:sc=-0.00658 (180deg=-0.187) USER MOD Single : A 100 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.415) USER MOD Single : A 101 ASN : amide:sc= -0.0965 K(o=-0.096,f=-1.6!) USER MOD Single : A 102 LYS NZ :NH3+ -125:sc= 0 (180deg=-1.77) USER MOD Single : A 105 LYS NZ :NH3+ 167:sc= -0.0314 (180deg=-0.285) USER MOD Single : A 108 THR OG1 : rot 28:sc= 0.557 USER MOD Single : A 110 MET CE :methyl -124:sc= 0 (180deg=-0.0107) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.055 1.059 1.088 1.00 0.00 N ATOM 2 CA MET A 1 0.881 1.182 -0.024 1.00 0.00 C ATOM 3 C MET A 1 0.136 1.322 -1.348 1.00 0.00 C ATOM 4 O MET A 1 0.541 0.754 -2.363 1.00 0.00 O ATOM 5 CB MET A 1 1.810 -0.033 -0.073 1.00 0.00 C ATOM 6 CG MET A 1 1.075 -1.353 -0.235 1.00 0.00 C ATOM 7 SD MET A 1 2.195 -2.762 -0.351 1.00 0.00 S ATOM 8 CE MET A 1 1.314 -3.976 0.627 1.00 0.00 C ATOM 0 H1 MET A 1 0.411 0.574 1.882 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.360 2.006 1.392 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.884 0.509 0.785 1.00 0.00 H new ATOM 0 HA MET A 1 1.478 2.080 0.133 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.510 0.088 -0.900 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.401 -0.065 0.842 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.403 -1.497 0.611 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.455 -1.312 -1.131 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.882 -4.906 0.650 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.188 -3.602 1.643 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.335 -4.160 0.184 1.00 0.00 H new ATOM 18 N THR A 2 -0.955 2.081 -1.332 1.00 0.00 N ATOM 19 CA THR A 2 -1.756 2.294 -2.530 1.00 0.00 C ATOM 20 C THR A 2 -1.394 3.612 -3.206 1.00 0.00 C ATOM 21 O THR A 2 -1.454 4.675 -2.588 1.00 0.00 O ATOM 22 CB THR A 2 -3.262 2.293 -2.207 1.00 0.00 C ATOM 23 OG1 THR A 2 -3.528 1.405 -1.115 1.00 0.00 O ATOM 24 CG2 THR A 2 -4.076 1.871 -3.421 1.00 0.00 C ATOM 0 H THR A 2 -1.304 2.559 -0.501 1.00 0.00 H new ATOM 0 HA THR A 2 -1.537 1.469 -3.207 1.00 0.00 H new ATOM 0 HB THR A 2 -3.552 3.306 -1.930 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.487 1.411 -0.915 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.136 1.878 -3.168 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.894 2.566 -4.241 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.782 0.866 -3.725 1.00 0.00 H new ATOM 32 N LEU A 3 -1.020 3.535 -4.479 1.00 0.00 N ATOM 33 CA LEU A 3 -0.649 4.722 -5.240 1.00 0.00 C ATOM 34 C LEU A 3 -1.831 5.238 -6.055 1.00 0.00 C ATOM 35 O LEU A 3 -2.222 4.631 -7.053 1.00 0.00 O ATOM 36 CB LEU A 3 0.527 4.411 -6.167 1.00 0.00 C ATOM 37 CG LEU A 3 1.921 4.662 -5.591 1.00 0.00 C ATOM 38 CD1 LEU A 3 2.177 6.154 -5.445 1.00 0.00 C ATOM 39 CD2 LEU A 3 2.079 3.958 -4.251 1.00 0.00 C ATOM 0 H LEU A 3 -0.966 2.663 -5.005 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.352 5.497 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.462 3.364 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.417 5.007 -7.073 1.00 0.00 H new ATOM 0 HG LEU A 3 2.658 4.254 -6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.174 6.314 -5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.107 6.633 -6.422 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.434 6.587 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.077 4.148 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.334 4.336 -3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.940 2.885 -4.385 1.00 0.00 H new ATOM 51 N CYS A 4 -2.394 6.361 -5.624 1.00 0.00 N ATOM 52 CA CYS A 4 -3.531 6.960 -6.315 1.00 0.00 C ATOM 53 C CYS A 4 -3.139 8.285 -6.961 1.00 0.00 C ATOM 54 O CYS A 4 -2.252 8.985 -6.474 1.00 0.00 O ATOM 55 CB CYS A 4 -4.690 7.177 -5.340 1.00 0.00 C ATOM 56 SG CYS A 4 -4.283 8.242 -3.936 1.00 0.00 S ATOM 0 H CYS A 4 -2.082 6.875 -4.800 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.849 6.274 -7.100 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.530 7.613 -5.881 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -5.021 6.209 -4.964 1.00 0.00 H new ATOM 0 HG CYS A 4 -2.995 8.255 -3.761 1.00 0.00 H new ATOM 62 N ALA A 5 -3.805 8.621 -8.060 1.00 0.00 N ATOM 63 CA ALA A 5 -3.526 9.861 -8.773 1.00 0.00 C ATOM 64 C ALA A 5 -4.740 10.785 -8.763 1.00 0.00 C ATOM 65 O ALA A 5 -5.880 10.327 -8.817 1.00 0.00 O ATOM 66 CB ALA A 5 -3.099 9.564 -10.203 1.00 0.00 C ATOM 0 H ALA A 5 -4.542 8.052 -8.476 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.710 10.370 -8.260 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.894 10.500 -10.723 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.199 8.949 -10.194 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.898 9.030 -10.718 1.00 0.00 H new ATOM 72 N MET A 6 -4.485 12.088 -8.693 1.00 0.00 N ATOM 73 CA MET A 6 -5.558 13.075 -8.676 1.00 0.00 C ATOM 74 C MET A 6 -5.776 13.665 -10.066 1.00 0.00 C ATOM 75 O MET A 6 -4.830 14.102 -10.721 1.00 0.00 O ATOM 76 CB MET A 6 -5.237 14.192 -7.680 1.00 0.00 C ATOM 77 CG MET A 6 -5.799 13.945 -6.289 1.00 0.00 C ATOM 78 SD MET A 6 -5.143 12.447 -5.531 1.00 0.00 S ATOM 79 CE MET A 6 -6.655 11.641 -5.010 1.00 0.00 C ATOM 0 H MET A 6 -3.546 12.484 -8.647 1.00 0.00 H new ATOM 0 HA MET A 6 -6.474 12.573 -8.365 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.155 14.306 -7.611 1.00 0.00 H new ATOM 0 HB3 MET A 6 -5.633 15.133 -8.061 1.00 0.00 H new ATOM 0 HG2 MET A 6 -5.571 14.800 -5.652 1.00 0.00 H new ATOM 0 HG3 MET A 6 -6.885 13.872 -6.348 1.00 0.00 H new ATOM 0 HE1 MET A 6 -6.434 10.934 -4.210 1.00 0.00 H new ATOM 0 HE2 MET A 6 -7.360 12.389 -4.648 1.00 0.00 H new ATOM 0 HE3 MET A 6 -7.093 11.108 -5.854 1.00 0.00 H new ATOM 89 N TYR A 7 -7.028 13.674 -10.510 1.00 0.00 N ATOM 90 CA TYR A 7 -7.369 14.207 -11.823 1.00 0.00 C ATOM 91 C TYR A 7 -8.440 15.289 -11.711 1.00 0.00 C ATOM 92 O TYR A 7 -9.610 14.996 -11.470 1.00 0.00 O ATOM 93 CB TYR A 7 -7.857 13.085 -12.742 1.00 0.00 C ATOM 94 CG TYR A 7 -7.518 13.306 -14.199 1.00 0.00 C ATOM 95 CD1 TYR A 7 -8.189 14.261 -14.951 1.00 0.00 C ATOM 96 CD2 TYR A 7 -6.528 12.558 -14.823 1.00 0.00 C ATOM 97 CE1 TYR A 7 -7.884 14.466 -16.283 1.00 0.00 C ATOM 98 CE2 TYR A 7 -6.215 12.756 -16.154 1.00 0.00 C ATOM 99 CZ TYR A 7 -6.896 13.711 -16.880 1.00 0.00 C ATOM 100 OH TYR A 7 -6.588 13.911 -18.206 1.00 0.00 O ATOM 0 H TYR A 7 -7.823 13.318 -9.980 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.471 14.653 -12.250 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.419 12.142 -12.415 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.938 12.987 -12.640 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.963 14.854 -14.487 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.994 11.809 -14.258 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.416 15.213 -16.853 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.441 12.166 -16.623 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.904 13.267 -18.484 1.00 0.00 H new ATOM 110 N ASN A 8 -8.028 16.540 -11.888 1.00 0.00 N ATOM 111 CA ASN A 8 -8.951 17.666 -11.807 1.00 0.00 C ATOM 112 C ASN A 8 -9.478 18.038 -13.189 1.00 0.00 C ATOM 113 O ASN A 8 -8.799 18.716 -13.962 1.00 0.00 O ATOM 114 CB ASN A 8 -8.259 18.874 -11.171 1.00 0.00 C ATOM 115 CG ASN A 8 -7.373 18.484 -10.003 1.00 0.00 C ATOM 116 OD1 ASN A 8 -7.862 18.104 -8.939 1.00 0.00 O ATOM 117 ND2 ASN A 8 -6.063 18.577 -10.198 1.00 0.00 N ATOM 0 H ASN A 8 -7.062 16.799 -12.088 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.794 17.368 -11.184 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.659 19.384 -11.925 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.013 19.584 -10.831 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.417 18.328 -9.449 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.703 18.897 -11.097 1.00 0.00 H new ATOM 124 N ILE A 9 -10.692 17.592 -13.493 1.00 0.00 N ATOM 125 CA ILE A 9 -11.311 17.879 -14.781 1.00 0.00 C ATOM 126 C ILE A 9 -12.491 18.832 -14.624 1.00 0.00 C ATOM 127 O ILE A 9 -13.390 18.595 -13.817 1.00 0.00 O ATOM 128 CB ILE A 9 -11.795 16.591 -15.473 1.00 0.00 C ATOM 129 CG1 ILE A 9 -12.403 16.918 -16.839 1.00 0.00 C ATOM 130 CG2 ILE A 9 -12.805 15.866 -14.597 1.00 0.00 C ATOM 131 CD1 ILE A 9 -12.892 15.699 -17.590 1.00 0.00 C ATOM 0 H ILE A 9 -11.267 17.030 -12.865 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.547 18.349 -15.400 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.939 15.934 -15.625 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.235 17.608 -16.701 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.658 17.434 -17.445 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.137 14.958 -15.100 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.341 15.605 -13.646 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.662 16.515 -14.416 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.310 16.006 -18.549 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.058 15.017 -17.759 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.660 15.194 -17.004 1.00 0.00 H new ATOM 143 N SER A 10 -12.481 19.910 -15.401 1.00 0.00 N ATOM 144 CA SER A 10 -13.550 20.901 -15.347 1.00 0.00 C ATOM 145 C SER A 10 -14.006 21.286 -16.751 1.00 0.00 C ATOM 146 O SER A 10 -13.410 22.148 -17.395 1.00 0.00 O ATOM 147 CB SER A 10 -13.081 22.147 -14.592 1.00 0.00 C ATOM 148 OG SER A 10 -12.036 22.802 -15.289 1.00 0.00 O ATOM 0 H SER A 10 -11.745 20.120 -16.075 1.00 0.00 H new ATOM 0 HA SER A 10 -14.394 20.460 -14.818 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.918 22.832 -14.458 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.738 21.865 -13.597 1.00 0.00 H new ATOM 0 HG SER A 10 -12.329 23.006 -16.202 1.00 0.00 H new ATOM 154 N MET A 11 -15.068 20.638 -17.219 1.00 0.00 N ATOM 155 CA MET A 11 -15.606 20.912 -18.546 1.00 0.00 C ATOM 156 C MET A 11 -16.121 22.345 -18.639 1.00 0.00 C ATOM 157 O MET A 11 -16.149 23.069 -17.645 1.00 0.00 O ATOM 158 CB MET A 11 -16.732 19.930 -18.876 1.00 0.00 C ATOM 159 CG MET A 11 -16.841 19.605 -20.357 1.00 0.00 C ATOM 160 SD MET A 11 -17.646 18.021 -20.663 1.00 0.00 S ATOM 161 CE MET A 11 -18.879 18.496 -21.872 1.00 0.00 C ATOM 0 H MET A 11 -15.573 19.920 -16.699 1.00 0.00 H new ATOM 0 HA MET A 11 -14.801 20.787 -19.270 1.00 0.00 H new ATOM 0 HB2 MET A 11 -16.571 19.006 -18.321 1.00 0.00 H new ATOM 0 HB3 MET A 11 -17.679 20.347 -18.533 1.00 0.00 H new ATOM 0 HG2 MET A 11 -17.400 20.395 -20.858 1.00 0.00 H new ATOM 0 HG3 MET A 11 -15.844 19.592 -20.797 1.00 0.00 H new ATOM 0 HE1 MET A 11 -19.225 17.611 -22.406 1.00 0.00 H new ATOM 0 HE2 MET A 11 -19.722 18.968 -21.366 1.00 0.00 H new ATOM 0 HE3 MET A 11 -18.442 19.199 -22.581 1.00 0.00 H new ATOM 171 N ALA A 12 -16.527 22.746 -19.839 1.00 0.00 N ATOM 172 CA ALA A 12 -17.043 24.091 -20.060 1.00 0.00 C ATOM 173 C ALA A 12 -18.185 24.406 -19.100 1.00 0.00 C ATOM 174 O ALA A 12 -19.317 23.969 -19.302 1.00 0.00 O ATOM 175 CB ALA A 12 -17.504 24.250 -21.502 1.00 0.00 C ATOM 0 H ALA A 12 -16.509 22.159 -20.673 1.00 0.00 H new ATOM 0 HA ALA A 12 -16.236 24.798 -19.868 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.887 25.259 -21.652 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.663 24.077 -22.174 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -18.292 23.528 -21.714 1.00 0.00 H new ATOM 181 N GLY A 13 -17.880 25.168 -18.054 1.00 0.00 N ATOM 182 CA GLY A 13 -18.892 25.528 -17.078 1.00 0.00 C ATOM 183 C GLY A 13 -19.507 24.316 -16.406 1.00 0.00 C ATOM 184 O GLY A 13 -20.725 24.142 -16.418 1.00 0.00 O ATOM 0 H GLY A 13 -16.950 25.542 -17.865 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -18.448 26.174 -16.320 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -19.676 26.105 -17.568 1.00 0.00 H new ATOM 188 N SER A 14 -18.661 23.474 -15.820 1.00 0.00 N ATOM 189 CA SER A 14 -19.128 22.268 -15.145 1.00 0.00 C ATOM 190 C SER A 14 -18.471 22.124 -13.776 1.00 0.00 C ATOM 191 O SER A 14 -18.562 21.074 -13.139 1.00 0.00 O ATOM 192 CB SER A 14 -18.831 21.034 -15.999 1.00 0.00 C ATOM 193 OG SER A 14 -17.510 20.569 -15.782 1.00 0.00 O ATOM 0 H SER A 14 -17.650 23.605 -15.799 1.00 0.00 H new ATOM 0 HA SER A 14 -20.206 22.353 -15.004 1.00 0.00 H new ATOM 0 HB2 SER A 14 -19.542 20.243 -15.760 1.00 0.00 H new ATOM 0 HB3 SER A 14 -18.966 21.276 -17.053 1.00 0.00 H new ATOM 0 HG SER A 14 -17.441 19.634 -16.068 1.00 0.00 H new ATOM 199 N HIS A 15 -17.809 23.186 -13.329 1.00 0.00 N ATOM 200 CA HIS A 15 -17.137 23.179 -12.034 1.00 0.00 C ATOM 201 C HIS A 15 -16.021 22.139 -12.007 1.00 0.00 C ATOM 202 O HIS A 15 -15.989 21.207 -12.811 1.00 0.00 O ATOM 203 CB HIS A 15 -18.141 22.897 -10.916 1.00 0.00 C ATOM 204 CG HIS A 15 -18.572 24.124 -10.174 1.00 0.00 C ATOM 205 ND1 HIS A 15 -18.289 24.336 -8.841 1.00 0.00 N ATOM 206 CD2 HIS A 15 -19.268 25.209 -10.587 1.00 0.00 C ATOM 207 CE1 HIS A 15 -18.793 25.498 -8.466 1.00 0.00 C ATOM 208 NE2 HIS A 15 -19.393 26.048 -9.507 1.00 0.00 N ATOM 0 H HIS A 15 -17.723 24.062 -13.844 1.00 0.00 H new ATOM 0 HA HIS A 15 -16.696 24.163 -11.876 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.020 22.413 -11.342 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -17.699 22.193 -10.211 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -19.653 25.383 -11.581 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -18.726 25.926 -7.477 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -19.871 26.949 -9.508 1.00 0.00 H new ATOM 216 N PRO A 16 -15.084 22.300 -11.062 1.00 0.00 N ATOM 217 CA PRO A 16 -13.949 21.385 -10.908 1.00 0.00 C ATOM 218 C PRO A 16 -14.376 20.015 -10.390 1.00 0.00 C ATOM 219 O PRO A 16 -15.073 19.910 -9.380 1.00 0.00 O ATOM 220 CB PRO A 16 -13.060 22.091 -9.881 1.00 0.00 C ATOM 221 CG PRO A 16 -13.992 22.954 -9.103 1.00 0.00 C ATOM 222 CD PRO A 16 -15.059 23.388 -10.070 1.00 0.00 C ATOM 0 HA PRO A 16 -13.452 21.188 -11.858 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.553 21.373 -9.236 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.286 22.683 -10.368 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -14.424 22.406 -8.265 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.470 23.815 -8.686 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.024 23.505 -9.577 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.818 24.346 -10.531 1.00 0.00 H new ATOM 230 N THR A 17 -13.952 18.966 -11.087 1.00 0.00 N ATOM 231 CA THR A 17 -14.290 17.602 -10.699 1.00 0.00 C ATOM 232 C THR A 17 -13.043 16.815 -10.314 1.00 0.00 C ATOM 233 O THR A 17 -12.173 16.563 -11.147 1.00 0.00 O ATOM 234 CB THR A 17 -15.023 16.860 -11.833 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.244 17.536 -12.152 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.322 15.423 -11.434 1.00 0.00 C ATOM 0 H THR A 17 -13.373 19.035 -11.924 1.00 0.00 H new ATOM 0 HA THR A 17 -14.952 17.674 -9.836 1.00 0.00 H new ATOM 0 HB THR A 17 -14.375 16.850 -12.709 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.703 17.059 -12.875 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.840 14.919 -12.250 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.388 14.903 -11.220 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.953 15.416 -10.545 1.00 0.00 H new ATOM 244 N THR A 18 -12.963 16.427 -9.045 1.00 0.00 N ATOM 245 CA THR A 18 -11.822 15.667 -8.549 1.00 0.00 C ATOM 246 C THR A 18 -12.013 14.173 -8.781 1.00 0.00 C ATOM 247 O THR A 18 -12.812 13.527 -8.102 1.00 0.00 O ATOM 248 CB THR A 18 -11.591 15.917 -7.046 1.00 0.00 C ATOM 249 OG1 THR A 18 -12.022 17.237 -6.697 1.00 0.00 O ATOM 250 CG2 THR A 18 -10.123 15.745 -6.688 1.00 0.00 C ATOM 0 H THR A 18 -13.675 16.627 -8.342 1.00 0.00 H new ATOM 0 HA THR A 18 -10.949 16.009 -9.105 1.00 0.00 H new ATOM 0 HB THR A 18 -12.173 15.186 -6.485 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.873 17.387 -5.740 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.985 15.927 -5.622 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.807 14.730 -6.927 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.524 16.455 -7.258 1.00 0.00 H new ATOM 258 N ILE A 19 -11.275 13.629 -9.742 1.00 0.00 N ATOM 259 CA ILE A 19 -11.363 12.210 -10.062 1.00 0.00 C ATOM 260 C ILE A 19 -10.090 11.475 -9.656 1.00 0.00 C ATOM 261 O ILE A 19 -9.004 11.769 -10.159 1.00 0.00 O ATOM 262 CB ILE A 19 -11.614 11.986 -11.565 1.00 0.00 C ATOM 263 CG1 ILE A 19 -12.721 12.917 -12.063 1.00 0.00 C ATOM 264 CG2 ILE A 19 -11.978 10.532 -11.830 1.00 0.00 C ATOM 265 CD1 ILE A 19 -13.021 12.763 -13.538 1.00 0.00 C ATOM 0 H ILE A 19 -10.609 14.150 -10.313 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.206 11.811 -9.498 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.699 12.216 -12.110 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.630 12.725 -11.493 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.433 13.949 -11.865 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.152 10.389 -12.896 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.161 9.888 -11.507 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.882 10.277 -11.277 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.815 13.453 -13.822 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.124 12.984 -14.117 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.340 11.740 -13.740 1.00 0.00 H new ATOM 277 N CYS A 20 -10.230 10.518 -8.746 1.00 0.00 N ATOM 278 CA CYS A 20 -9.091 9.740 -8.272 1.00 0.00 C ATOM 279 C CYS A 20 -8.971 8.429 -9.043 1.00 0.00 C ATOM 280 O CYS A 20 -9.945 7.690 -9.189 1.00 0.00 O ATOM 281 CB CYS A 20 -9.229 9.455 -6.776 1.00 0.00 C ATOM 282 SG CYS A 20 -10.733 8.557 -6.330 1.00 0.00 S ATOM 0 H CYS A 20 -11.121 10.262 -8.321 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.187 10.325 -8.441 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.364 8.880 -6.446 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.209 10.400 -6.234 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.030 7.713 -7.273 1.00 0.00 H new ATOM 288 N VAL A 21 -7.769 8.147 -9.536 1.00 0.00 N ATOM 289 CA VAL A 21 -7.520 6.926 -10.293 1.00 0.00 C ATOM 290 C VAL A 21 -6.162 6.329 -9.942 1.00 0.00 C ATOM 291 O VAL A 21 -5.161 7.040 -9.863 1.00 0.00 O ATOM 292 CB VAL A 21 -7.579 7.184 -11.810 1.00 0.00 C ATOM 293 CG1 VAL A 21 -7.535 5.872 -12.578 1.00 0.00 C ATOM 294 CG2 VAL A 21 -8.825 7.979 -12.167 1.00 0.00 C ATOM 0 H VAL A 21 -6.952 8.748 -9.425 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.305 6.220 -10.022 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.707 7.772 -12.095 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.578 6.075 -13.648 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.610 5.345 -12.345 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.386 5.254 -12.292 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.850 8.152 -13.243 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.712 7.419 -11.869 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.808 8.936 -11.646 1.00 0.00 H new ATOM 304 N VAL A 22 -6.135 5.016 -9.733 1.00 0.00 N ATOM 305 CA VAL A 22 -4.900 4.322 -9.392 1.00 0.00 C ATOM 306 C VAL A 22 -3.821 4.573 -10.439 1.00 0.00 C ATOM 307 O VAL A 22 -4.117 4.743 -11.621 1.00 0.00 O ATOM 308 CB VAL A 22 -5.127 2.804 -9.259 1.00 0.00 C ATOM 309 CG1 VAL A 22 -3.878 2.122 -8.721 1.00 0.00 C ATOM 310 CG2 VAL A 22 -6.326 2.521 -8.366 1.00 0.00 C ATOM 0 H VAL A 22 -6.955 4.412 -9.794 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.570 4.718 -8.432 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.336 2.397 -10.249 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.057 1.050 -8.634 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.046 2.296 -9.403 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.635 2.530 -7.740 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.472 1.444 -8.283 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.149 2.941 -7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.217 2.976 -8.799 1.00 0.00 H new ATOM 320 N MET A 23 -2.568 4.595 -9.996 1.00 0.00 N ATOM 321 CA MET A 23 -1.444 4.824 -10.896 1.00 0.00 C ATOM 322 C MET A 23 -1.484 3.856 -12.075 1.00 0.00 C ATOM 323 O MET A 23 -1.083 4.200 -13.187 1.00 0.00 O ATOM 324 CB MET A 23 -0.120 4.673 -10.143 1.00 0.00 C ATOM 325 CG MET A 23 0.211 3.235 -9.779 1.00 0.00 C ATOM 326 SD MET A 23 1.831 3.070 -9.005 1.00 0.00 S ATOM 327 CE MET A 23 2.656 1.992 -10.173 1.00 0.00 C ATOM 0 H MET A 23 -2.306 4.457 -9.020 1.00 0.00 H new ATOM 0 HA MET A 23 -1.522 5.841 -11.281 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.685 5.079 -10.755 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.159 5.270 -9.232 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.552 2.851 -9.102 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.178 2.620 -10.678 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.673 1.796 -9.832 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.111 1.051 -10.248 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.687 2.472 -11.151 1.00 0.00 H new ATOM 337 N ASP A 24 -1.971 2.646 -11.824 1.00 0.00 N ATOM 338 CA ASP A 24 -2.065 1.629 -12.864 1.00 0.00 C ATOM 339 C ASP A 24 -3.240 1.910 -13.795 1.00 0.00 C ATOM 340 O ASP A 24 -3.207 1.562 -14.976 1.00 0.00 O ATOM 341 CB ASP A 24 -2.215 0.241 -12.239 1.00 0.00 C ATOM 342 CG ASP A 24 -1.981 -0.873 -13.240 1.00 0.00 C ATOM 343 OD1 ASP A 24 -1.448 -0.587 -14.332 1.00 0.00 O ATOM 344 OD2 ASP A 24 -2.332 -2.032 -12.931 1.00 0.00 O ATOM 0 H ASP A 24 -2.307 2.346 -10.909 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.146 1.658 -13.449 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.509 0.139 -11.415 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.215 0.142 -11.817 1.00 0.00 H new ATOM 349 N ARG A 25 -4.277 2.542 -13.256 1.00 0.00 N ATOM 350 CA ARG A 25 -5.464 2.869 -14.037 1.00 0.00 C ATOM 351 C ARG A 25 -5.404 4.308 -14.540 1.00 0.00 C ATOM 352 O ARG A 25 -6.383 4.831 -15.074 1.00 0.00 O ATOM 353 CB ARG A 25 -6.726 2.662 -13.198 1.00 0.00 C ATOM 354 CG ARG A 25 -7.070 1.200 -12.966 1.00 0.00 C ATOM 355 CD ARG A 25 -7.918 0.641 -14.098 1.00 0.00 C ATOM 356 NE ARG A 25 -8.401 -0.706 -13.806 1.00 0.00 N ATOM 357 CZ ARG A 25 -9.418 -0.961 -12.990 1.00 0.00 C ATOM 358 NH1 ARG A 25 -10.056 0.033 -12.389 1.00 0.00 N ATOM 359 NH2 ARG A 25 -9.799 -2.214 -12.775 1.00 0.00 N ATOM 0 H ARG A 25 -4.319 2.838 -12.281 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.496 2.202 -14.899 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.596 3.153 -12.234 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.565 3.150 -13.693 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.152 0.619 -12.876 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.606 1.096 -12.023 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.768 1.301 -14.274 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.331 0.625 -15.017 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.932 -1.494 -14.253 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.767 0.997 -12.552 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.836 -0.166 -11.763 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.311 -2.982 -13.236 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.580 -2.409 -12.148 1.00 0.00 H new ATOM 373 N PHE A 26 -4.250 4.943 -14.365 1.00 0.00 N ATOM 374 CA PHE A 26 -4.063 6.323 -14.800 1.00 0.00 C ATOM 375 C PHE A 26 -4.109 6.424 -16.322 1.00 0.00 C ATOM 376 O PHE A 26 -4.909 7.176 -16.882 1.00 0.00 O ATOM 377 CB PHE A 26 -2.731 6.867 -14.281 1.00 0.00 C ATOM 378 CG PHE A 26 -2.432 8.264 -14.746 1.00 0.00 C ATOM 379 CD1 PHE A 26 -1.821 8.484 -15.970 1.00 0.00 C ATOM 380 CD2 PHE A 26 -2.762 9.356 -13.960 1.00 0.00 C ATOM 381 CE1 PHE A 26 -1.544 9.768 -16.401 1.00 0.00 C ATOM 382 CE2 PHE A 26 -2.489 10.642 -14.386 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.878 10.848 -15.608 1.00 0.00 C ATOM 0 H PHE A 26 -3.430 4.525 -13.925 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.876 6.921 -14.389 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.740 6.850 -13.191 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.927 6.205 -14.603 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.558 7.643 -16.594 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.238 9.200 -13.003 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.067 9.926 -17.357 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.753 11.485 -13.765 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.662 11.852 -15.942 1.00 0.00 H new ATOM 393 N LEU A 27 -3.246 5.664 -16.986 1.00 0.00 N ATOM 394 CA LEU A 27 -3.186 5.668 -18.443 1.00 0.00 C ATOM 395 C LEU A 27 -4.549 5.339 -19.045 1.00 0.00 C ATOM 396 O LEU A 27 -4.976 5.964 -20.015 1.00 0.00 O ATOM 397 CB LEU A 27 -2.143 4.661 -18.933 1.00 0.00 C ATOM 398 CG LEU A 27 -1.956 4.572 -20.448 1.00 0.00 C ATOM 399 CD1 LEU A 27 -1.873 5.963 -21.058 1.00 0.00 C ATOM 400 CD2 LEU A 27 -0.712 3.764 -20.785 1.00 0.00 C ATOM 0 H LEU A 27 -2.578 5.037 -16.538 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.898 6.668 -18.768 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.183 4.914 -18.483 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.418 3.674 -18.562 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.821 4.063 -20.873 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.740 5.880 -22.137 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.793 6.508 -20.847 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.027 6.499 -20.628 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.595 3.711 -21.867 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.163 4.245 -20.348 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.812 2.757 -20.381 1.00 0.00 H new ATOM 412 N GLU A 28 -5.226 4.356 -18.461 1.00 0.00 N ATOM 413 CA GLU A 28 -6.541 3.945 -18.939 1.00 0.00 C ATOM 414 C GLU A 28 -7.549 5.083 -18.802 1.00 0.00 C ATOM 415 O GLU A 28 -8.267 5.408 -19.747 1.00 0.00 O ATOM 416 CB GLU A 28 -7.030 2.719 -18.166 1.00 0.00 C ATOM 417 CG GLU A 28 -6.061 1.550 -18.203 1.00 0.00 C ATOM 418 CD GLU A 28 -6.005 0.881 -19.562 1.00 0.00 C ATOM 419 OE1 GLU A 28 -6.926 0.100 -19.878 1.00 0.00 O ATOM 420 OE2 GLU A 28 -5.039 1.139 -20.311 1.00 0.00 O ATOM 0 H GLU A 28 -4.886 3.829 -17.656 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.451 3.687 -19.994 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.206 3.001 -17.128 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.988 2.399 -18.577 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.065 1.900 -17.933 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.355 0.816 -17.453 1.00 0.00 H new ATOM 427 N SER A 29 -7.598 5.683 -17.617 1.00 0.00 N ATOM 428 CA SER A 29 -8.520 6.781 -17.353 1.00 0.00 C ATOM 429 C SER A 29 -8.345 7.896 -18.378 1.00 0.00 C ATOM 430 O SER A 29 -9.320 8.413 -18.924 1.00 0.00 O ATOM 431 CB SER A 29 -8.302 7.331 -15.942 1.00 0.00 C ATOM 432 OG SER A 29 -8.665 8.698 -15.866 1.00 0.00 O ATOM 0 H SER A 29 -7.010 5.427 -16.824 1.00 0.00 H new ATOM 0 HA SER A 29 -9.536 6.395 -17.432 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.891 6.755 -15.229 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.256 7.213 -15.660 1.00 0.00 H new ATOM 0 HG SER A 29 -8.118 9.145 -15.187 1.00 0.00 H new ATOM 438 N PHE A 30 -7.094 8.263 -18.636 1.00 0.00 N ATOM 439 CA PHE A 30 -6.789 9.318 -19.596 1.00 0.00 C ATOM 440 C PHE A 30 -7.215 8.912 -21.004 1.00 0.00 C ATOM 441 O PHE A 30 -7.778 9.714 -21.749 1.00 0.00 O ATOM 442 CB PHE A 30 -5.293 9.637 -19.576 1.00 0.00 C ATOM 443 CG PHE A 30 -4.933 10.872 -20.352 1.00 0.00 C ATOM 444 CD1 PHE A 30 -5.678 12.033 -20.217 1.00 0.00 C ATOM 445 CD2 PHE A 30 -3.850 10.872 -21.217 1.00 0.00 C ATOM 446 CE1 PHE A 30 -5.350 13.170 -20.931 1.00 0.00 C ATOM 447 CE2 PHE A 30 -3.517 12.006 -21.933 1.00 0.00 C ATOM 448 CZ PHE A 30 -4.267 13.157 -21.789 1.00 0.00 C ATOM 0 H PHE A 30 -6.275 7.846 -18.194 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.348 10.209 -19.309 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.970 9.760 -18.542 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.743 8.788 -19.983 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.524 12.049 -19.546 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.259 9.975 -21.333 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.940 14.068 -20.818 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.671 11.992 -22.604 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.007 14.045 -22.346 1.00 0.00 H new ATOM 458 N SER A 31 -6.941 7.661 -21.361 1.00 0.00 N ATOM 459 CA SER A 31 -7.291 7.150 -22.681 1.00 0.00 C ATOM 460 C SER A 31 -8.783 7.322 -22.953 1.00 0.00 C ATOM 461 O SER A 31 -9.178 7.857 -23.988 1.00 0.00 O ATOM 462 CB SER A 31 -6.908 5.673 -22.797 1.00 0.00 C ATOM 463 OG SER A 31 -7.768 4.992 -23.694 1.00 0.00 O ATOM 0 H SER A 31 -6.478 6.983 -20.755 1.00 0.00 H new ATOM 0 HA SER A 31 -6.735 7.723 -23.424 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.877 5.587 -23.141 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.956 5.203 -21.815 1.00 0.00 H new ATOM 0 HG SER A 31 -7.501 4.051 -23.752 1.00 0.00 H new ATOM 469 N GLU A 32 -9.606 6.865 -22.014 1.00 0.00 N ATOM 470 CA GLU A 32 -11.053 6.968 -22.152 1.00 0.00 C ATOM 471 C GLU A 32 -11.513 8.415 -22.000 1.00 0.00 C ATOM 472 O GLU A 32 -12.414 8.870 -22.706 1.00 0.00 O ATOM 473 CB GLU A 32 -11.751 6.088 -21.113 1.00 0.00 C ATOM 474 CG GLU A 32 -13.149 5.656 -21.521 1.00 0.00 C ATOM 475 CD GLU A 32 -13.141 4.453 -22.445 1.00 0.00 C ATOM 476 OE1 GLU A 32 -12.430 3.474 -22.137 1.00 0.00 O ATOM 477 OE2 GLU A 32 -13.846 4.491 -23.476 1.00 0.00 O ATOM 0 H GLU A 32 -9.295 6.420 -21.150 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.322 6.622 -23.150 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.144 5.201 -20.934 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.809 6.631 -20.169 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.727 5.420 -20.628 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.652 6.487 -22.016 1.00 0.00 H new ATOM 484 N LEU A 33 -10.888 9.134 -21.074 1.00 0.00 N ATOM 485 CA LEU A 33 -11.232 10.530 -20.827 1.00 0.00 C ATOM 486 C LEU A 33 -11.160 11.344 -22.115 1.00 0.00 C ATOM 487 O LEU A 33 -12.010 12.197 -22.371 1.00 0.00 O ATOM 488 CB LEU A 33 -10.294 11.129 -19.778 1.00 0.00 C ATOM 489 CG LEU A 33 -10.509 12.607 -19.452 1.00 0.00 C ATOM 490 CD1 LEU A 33 -11.255 12.760 -18.136 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.177 13.342 -19.400 1.00 0.00 C ATOM 0 H LEU A 33 -10.140 8.773 -20.482 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.255 10.566 -20.453 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.398 10.555 -18.857 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.268 10.999 -20.121 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.114 13.049 -20.243 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.399 13.819 -17.920 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.226 12.269 -18.209 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.676 12.302 -17.334 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.350 14.393 -19.167 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.546 12.898 -18.630 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.679 13.262 -20.366 1.00 0.00 H new ATOM 503 N TYR A 34 -10.141 11.073 -22.923 1.00 0.00 N ATOM 504 CA TYR A 34 -9.958 11.781 -24.185 1.00 0.00 C ATOM 505 C TYR A 34 -11.064 11.426 -25.174 1.00 0.00 C ATOM 506 O TYR A 34 -11.322 12.165 -26.125 1.00 0.00 O ATOM 507 CB TYR A 34 -8.592 11.447 -24.788 1.00 0.00 C ATOM 508 CG TYR A 34 -8.440 11.890 -26.225 1.00 0.00 C ATOM 509 CD1 TYR A 34 -8.322 13.236 -26.549 1.00 0.00 C ATOM 510 CD2 TYR A 34 -8.415 10.963 -27.260 1.00 0.00 C ATOM 511 CE1 TYR A 34 -8.183 13.645 -27.861 1.00 0.00 C ATOM 512 CE2 TYR A 34 -8.275 11.363 -28.574 1.00 0.00 C ATOM 513 CZ TYR A 34 -8.160 12.705 -28.870 1.00 0.00 C ATOM 514 OH TYR A 34 -8.022 13.108 -30.179 1.00 0.00 O ATOM 0 H TYR A 34 -9.430 10.369 -22.727 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.006 12.851 -23.983 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.814 11.918 -24.187 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.432 10.370 -24.730 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.339 13.975 -25.762 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.507 9.911 -27.033 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.093 14.695 -28.095 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.256 10.629 -29.366 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.024 12.323 -30.765 1.00 0.00 H new ATOM 524 N ASP A 35 -11.713 10.290 -24.943 1.00 0.00 N ATOM 525 CA ASP A 35 -12.792 9.837 -25.812 1.00 0.00 C ATOM 526 C ASP A 35 -14.118 10.477 -25.412 1.00 0.00 C ATOM 527 O ASP A 35 -14.997 10.683 -26.250 1.00 0.00 O ATOM 528 CB ASP A 35 -12.912 8.313 -25.759 1.00 0.00 C ATOM 529 CG ASP A 35 -12.429 7.649 -27.034 1.00 0.00 C ATOM 530 OD1 ASP A 35 -12.974 7.967 -28.112 1.00 0.00 O ATOM 531 OD2 ASP A 35 -11.504 6.814 -26.954 1.00 0.00 O ATOM 0 H ASP A 35 -11.511 9.667 -24.162 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.555 10.141 -26.832 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.335 7.935 -24.915 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.952 8.039 -25.582 1.00 0.00 H new ATOM 536 N ILE A 36 -14.254 10.789 -24.128 1.00 0.00 N ATOM 537 CA ILE A 36 -15.472 11.406 -23.617 1.00 0.00 C ATOM 538 C ILE A 36 -15.371 12.927 -23.645 1.00 0.00 C ATOM 539 O ILE A 36 -16.368 13.622 -23.842 1.00 0.00 O ATOM 540 CB ILE A 36 -15.774 10.949 -22.178 1.00 0.00 C ATOM 541 CG1 ILE A 36 -16.949 11.744 -21.603 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.541 11.109 -21.302 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.364 11.293 -20.220 1.00 0.00 C ATOM 0 H ILE A 36 -13.536 10.625 -23.422 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.285 11.086 -24.269 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.048 9.894 -22.197 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.680 12.800 -21.567 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.801 11.655 -22.276 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.770 10.782 -20.288 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.728 10.504 -21.704 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.240 12.156 -21.286 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.201 11.900 -19.875 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.665 10.246 -20.254 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.526 11.408 -19.533 1.00 0.00 H new ATOM 555 N ILE A 37 -14.160 13.438 -23.449 1.00 0.00 N ATOM 556 CA ILE A 37 -13.928 14.877 -23.455 1.00 0.00 C ATOM 557 C ILE A 37 -14.314 15.490 -24.797 1.00 0.00 C ATOM 558 O ILE A 37 -14.609 16.682 -24.884 1.00 0.00 O ATOM 559 CB ILE A 37 -12.455 15.211 -23.155 1.00 0.00 C ATOM 560 CG1 ILE A 37 -12.305 16.695 -22.815 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.576 14.843 -24.342 1.00 0.00 C ATOM 562 CD1 ILE A 37 -12.169 16.964 -21.332 1.00 0.00 C ATOM 0 H ILE A 37 -13.324 12.877 -23.284 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.555 15.301 -22.671 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.133 14.626 -22.294 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.429 17.091 -23.330 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.171 17.236 -23.196 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.538 15.085 -24.115 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.664 13.775 -24.543 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.896 15.405 -25.220 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.067 18.036 -21.165 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.055 16.599 -20.813 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.287 16.451 -20.949 1.00 0.00 H new ATOM 574 N ASP A 38 -14.311 14.668 -25.840 1.00 0.00 N ATOM 575 CA ASP A 38 -14.663 15.128 -27.178 1.00 0.00 C ATOM 576 C ASP A 38 -16.157 15.424 -27.275 1.00 0.00 C ATOM 577 O ASP A 38 -16.587 16.228 -28.101 1.00 0.00 O ATOM 578 CB ASP A 38 -14.270 14.081 -28.221 1.00 0.00 C ATOM 579 CG ASP A 38 -12.843 14.253 -28.704 1.00 0.00 C ATOM 580 OD1 ASP A 38 -12.027 14.826 -27.952 1.00 0.00 O ATOM 581 OD2 ASP A 38 -12.542 13.814 -29.834 1.00 0.00 O ATOM 0 H ASP A 38 -14.068 13.679 -25.785 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.114 16.049 -27.375 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -14.389 13.085 -27.794 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -14.949 14.147 -29.071 1.00 0.00 H new ATOM 586 N GLU A 39 -16.941 14.769 -26.425 1.00 0.00 N ATOM 587 CA GLU A 39 -18.387 14.961 -26.417 1.00 0.00 C ATOM 588 C GLU A 39 -18.760 16.251 -25.693 1.00 0.00 C ATOM 589 O GLU A 39 -17.893 16.974 -25.204 1.00 0.00 O ATOM 590 CB GLU A 39 -19.078 13.770 -25.749 1.00 0.00 C ATOM 591 CG GLU A 39 -19.264 12.578 -26.673 1.00 0.00 C ATOM 592 CD GLU A 39 -17.991 11.772 -26.848 1.00 0.00 C ATOM 593 OE1 GLU A 39 -17.763 10.841 -26.049 1.00 0.00 O ATOM 594 OE2 GLU A 39 -17.224 12.074 -27.786 1.00 0.00 O ATOM 0 H GLU A 39 -16.600 14.101 -25.733 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.724 15.034 -27.451 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -18.493 13.460 -24.883 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -20.053 14.087 -25.378 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -20.047 11.932 -26.274 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -19.605 12.928 -27.647 1.00 0.00 H new ATOM 601 N ASN A 40 -20.057 16.534 -25.630 1.00 0.00 N ATOM 602 CA ASN A 40 -20.546 17.737 -24.967 1.00 0.00 C ATOM 603 C ASN A 40 -21.541 17.385 -23.865 1.00 0.00 C ATOM 604 O ASN A 40 -21.583 18.036 -22.821 1.00 0.00 O ATOM 605 CB ASN A 40 -21.204 18.673 -25.983 1.00 0.00 C ATOM 606 CG ASN A 40 -22.357 18.013 -26.715 1.00 0.00 C ATOM 607 OD1 ASN A 40 -22.158 17.321 -27.714 1.00 0.00 O ATOM 608 ND2 ASN A 40 -23.570 18.226 -26.221 1.00 0.00 N ATOM 0 H ASN A 40 -20.788 15.946 -26.030 1.00 0.00 H new ATOM 0 HA ASN A 40 -19.694 18.244 -24.514 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -21.565 19.565 -25.471 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -20.458 19.001 -26.707 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -24.385 17.809 -26.672 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -23.688 18.807 -25.391 1.00 0.00 H new ATOM 615 N ASP A 41 -22.340 16.351 -24.105 1.00 0.00 N ATOM 616 CA ASP A 41 -23.333 15.911 -23.133 1.00 0.00 C ATOM 617 C ASP A 41 -22.696 15.698 -21.763 1.00 0.00 C ATOM 618 O ASP A 41 -21.683 15.010 -21.637 1.00 0.00 O ATOM 619 CB ASP A 41 -24.001 14.618 -23.604 1.00 0.00 C ATOM 620 CG ASP A 41 -23.046 13.441 -23.611 1.00 0.00 C ATOM 621 OD1 ASP A 41 -22.052 13.489 -24.365 1.00 0.00 O ATOM 622 OD2 ASP A 41 -23.293 12.472 -22.863 1.00 0.00 O ATOM 0 H ASP A 41 -22.319 15.802 -24.964 1.00 0.00 H new ATOM 0 HA ASP A 41 -24.089 16.691 -23.045 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -24.846 14.392 -22.954 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -24.400 14.764 -24.608 1.00 0.00 H new ATOM 627 N THR A 42 -23.297 16.295 -20.738 1.00 0.00 N ATOM 628 CA THR A 42 -22.787 16.174 -19.378 1.00 0.00 C ATOM 629 C THR A 42 -23.308 14.908 -18.707 1.00 0.00 C ATOM 630 O THR A 42 -22.747 14.445 -17.713 1.00 0.00 O ATOM 631 CB THR A 42 -23.178 17.393 -18.521 1.00 0.00 C ATOM 632 OG1 THR A 42 -23.169 18.579 -19.323 1.00 0.00 O ATOM 633 CG2 THR A 42 -22.221 17.559 -17.349 1.00 0.00 C ATOM 0 H THR A 42 -24.137 16.867 -20.824 1.00 0.00 H new ATOM 0 HA THR A 42 -21.701 16.124 -19.451 1.00 0.00 H new ATOM 0 HB THR A 42 -24.182 17.228 -18.130 1.00 0.00 H new ATOM 0 HG1 THR A 42 -23.420 19.349 -18.771 1.00 0.00 H new ATOM 0 HG21 THR A 42 -22.517 18.426 -16.758 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.252 16.666 -16.724 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.208 17.704 -17.724 1.00 0.00 H new ATOM 641 N ASP A 43 -24.382 14.351 -19.256 1.00 0.00 N ATOM 642 CA ASP A 43 -24.977 13.136 -18.712 1.00 0.00 C ATOM 643 C ASP A 43 -23.962 11.997 -18.690 1.00 0.00 C ATOM 644 O ASP A 43 -24.101 11.043 -17.925 1.00 0.00 O ATOM 645 CB ASP A 43 -26.201 12.730 -19.534 1.00 0.00 C ATOM 646 CG ASP A 43 -26.928 11.540 -18.940 1.00 0.00 C ATOM 647 OD1 ASP A 43 -27.115 11.514 -17.705 1.00 0.00 O ATOM 648 OD2 ASP A 43 -27.310 10.634 -19.710 1.00 0.00 O ATOM 0 H ASP A 43 -24.859 14.722 -20.078 1.00 0.00 H new ATOM 0 HA ASP A 43 -25.289 13.340 -17.688 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -26.887 13.575 -19.601 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.889 12.491 -20.551 1.00 0.00 H new ATOM 653 N VAL A 44 -22.942 12.103 -19.536 1.00 0.00 N ATOM 654 CA VAL A 44 -21.904 11.082 -19.614 1.00 0.00 C ATOM 655 C VAL A 44 -20.764 11.383 -18.647 1.00 0.00 C ATOM 656 O VAL A 44 -20.078 10.474 -18.179 1.00 0.00 O ATOM 657 CB VAL A 44 -21.336 10.967 -21.041 1.00 0.00 C ATOM 658 CG1 VAL A 44 -20.636 12.257 -21.442 1.00 0.00 C ATOM 659 CG2 VAL A 44 -20.388 9.782 -21.142 1.00 0.00 C ATOM 0 H VAL A 44 -22.812 12.886 -20.177 1.00 0.00 H new ATOM 0 HA VAL A 44 -22.369 10.135 -19.339 1.00 0.00 H new ATOM 0 HB VAL A 44 -22.163 10.801 -21.731 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -20.241 12.157 -22.453 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -21.347 13.082 -21.410 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -19.817 12.457 -20.751 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -19.996 9.715 -22.157 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -19.563 9.915 -20.442 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -20.925 8.865 -20.900 1.00 0.00 H new ATOM 669 N MET A 45 -20.568 12.663 -18.352 1.00 0.00 N ATOM 670 CA MET A 45 -19.512 13.084 -17.439 1.00 0.00 C ATOM 671 C MET A 45 -19.656 12.393 -16.086 1.00 0.00 C ATOM 672 O MET A 45 -18.707 11.794 -15.581 1.00 0.00 O ATOM 673 CB MET A 45 -19.542 14.602 -17.254 1.00 0.00 C ATOM 674 CG MET A 45 -18.506 15.336 -18.091 1.00 0.00 C ATOM 675 SD MET A 45 -17.820 16.772 -17.244 1.00 0.00 S ATOM 676 CE MET A 45 -16.572 15.996 -16.220 1.00 0.00 C ATOM 0 H MET A 45 -21.127 13.427 -18.732 1.00 0.00 H new ATOM 0 HA MET A 45 -18.555 12.797 -17.875 1.00 0.00 H new ATOM 0 HB2 MET A 45 -20.534 14.972 -17.512 1.00 0.00 H new ATOM 0 HB3 MET A 45 -19.379 14.835 -16.202 1.00 0.00 H new ATOM 0 HG2 MET A 45 -17.699 14.650 -18.347 1.00 0.00 H new ATOM 0 HG3 MET A 45 -18.962 15.655 -19.028 1.00 0.00 H new ATOM 0 HE1 MET A 45 -16.775 16.213 -15.171 1.00 0.00 H new ATOM 0 HE2 MET A 45 -16.591 14.918 -16.378 1.00 0.00 H new ATOM 0 HE3 MET A 45 -15.589 16.384 -16.487 1.00 0.00 H new ATOM 686 N MET A 46 -20.848 12.481 -15.505 1.00 0.00 N ATOM 687 CA MET A 46 -21.115 11.863 -14.212 1.00 0.00 C ATOM 688 C MET A 46 -20.810 10.369 -14.250 1.00 0.00 C ATOM 689 O MET A 46 -19.982 9.875 -13.484 1.00 0.00 O ATOM 690 CB MET A 46 -22.573 12.087 -13.806 1.00 0.00 C ATOM 691 CG MET A 46 -22.925 11.494 -12.452 1.00 0.00 C ATOM 692 SD MET A 46 -22.379 12.527 -11.078 1.00 0.00 S ATOM 693 CE MET A 46 -22.872 11.520 -9.681 1.00 0.00 C ATOM 0 H MET A 46 -21.644 12.974 -15.909 1.00 0.00 H new ATOM 0 HA MET A 46 -20.464 12.330 -13.473 1.00 0.00 H new ATOM 0 HB2 MET A 46 -22.776 13.158 -13.788 1.00 0.00 H new ATOM 0 HB3 MET A 46 -23.224 11.652 -14.564 1.00 0.00 H new ATOM 0 HG2 MET A 46 -24.004 11.355 -12.390 1.00 0.00 H new ATOM 0 HG3 MET A 46 -22.471 10.507 -12.363 1.00 0.00 H new ATOM 0 HE1 MET A 46 -22.601 12.026 -8.754 1.00 0.00 H new ATOM 0 HE2 MET A 46 -23.950 11.364 -9.707 1.00 0.00 H new ATOM 0 HE3 MET A 46 -22.365 10.556 -9.730 1.00 0.00 H new ATOM 703 N ASP A 47 -21.483 9.655 -15.145 1.00 0.00 N ATOM 704 CA ASP A 47 -21.283 8.217 -15.283 1.00 0.00 C ATOM 705 C ASP A 47 -19.802 7.887 -15.443 1.00 0.00 C ATOM 706 O ASP A 47 -19.326 6.865 -14.948 1.00 0.00 O ATOM 707 CB ASP A 47 -22.070 7.683 -16.481 1.00 0.00 C ATOM 708 CG ASP A 47 -21.580 6.322 -16.936 1.00 0.00 C ATOM 709 OD1 ASP A 47 -21.311 5.468 -16.066 1.00 0.00 O ATOM 710 OD2 ASP A 47 -21.465 6.112 -18.161 1.00 0.00 O ATOM 0 H ASP A 47 -22.172 10.048 -15.786 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.648 7.736 -14.376 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.126 7.616 -16.218 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.991 8.389 -17.308 1.00 0.00 H new ATOM 715 N PHE A 48 -19.079 8.758 -16.139 1.00 0.00 N ATOM 716 CA PHE A 48 -17.653 8.559 -16.366 1.00 0.00 C ATOM 717 C PHE A 48 -16.873 8.664 -15.059 1.00 0.00 C ATOM 718 O PHE A 48 -16.092 7.776 -14.717 1.00 0.00 O ATOM 719 CB PHE A 48 -17.126 9.586 -17.371 1.00 0.00 C ATOM 720 CG PHE A 48 -15.627 9.642 -17.441 1.00 0.00 C ATOM 721 CD1 PHE A 48 -14.917 8.694 -18.160 1.00 0.00 C ATOM 722 CD2 PHE A 48 -14.927 10.643 -16.786 1.00 0.00 C ATOM 723 CE1 PHE A 48 -13.538 8.743 -18.226 1.00 0.00 C ATOM 724 CE2 PHE A 48 -13.547 10.698 -16.850 1.00 0.00 C ATOM 725 CZ PHE A 48 -12.852 9.746 -17.569 1.00 0.00 C ATOM 0 H PHE A 48 -19.458 9.609 -16.556 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.513 7.557 -16.773 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.519 9.350 -18.360 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.506 10.572 -17.104 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.448 7.907 -18.675 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.465 11.388 -16.219 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.997 7.998 -18.791 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.013 11.485 -16.338 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.774 9.785 -17.618 1.00 0.00 H new ATOM 735 N ILE A 49 -17.092 9.755 -14.333 1.00 0.00 N ATOM 736 CA ILE A 49 -16.411 9.976 -13.063 1.00 0.00 C ATOM 737 C ILE A 49 -16.631 8.806 -12.110 1.00 0.00 C ATOM 738 O ILE A 49 -15.693 8.328 -11.472 1.00 0.00 O ATOM 739 CB ILE A 49 -16.891 11.273 -12.385 1.00 0.00 C ATOM 740 CG1 ILE A 49 -16.628 12.476 -13.292 1.00 0.00 C ATOM 741 CG2 ILE A 49 -16.202 11.455 -11.041 1.00 0.00 C ATOM 742 CD1 ILE A 49 -17.712 13.529 -13.230 1.00 0.00 C ATOM 0 H ILE A 49 -17.735 10.499 -14.602 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.348 10.064 -13.286 1.00 0.00 H new ATOM 0 HB ILE A 49 -17.965 11.199 -12.213 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.676 12.929 -13.014 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -16.528 12.130 -14.321 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.552 12.376 -10.575 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.436 10.609 -10.395 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.124 11.511 -11.190 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.459 14.352 -13.898 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.662 13.092 -13.537 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.798 13.903 -12.210 1.00 0.00 H new ATOM 754 N SER A 50 -17.875 8.348 -12.021 1.00 0.00 N ATOM 755 CA SER A 50 -18.219 7.235 -11.144 1.00 0.00 C ATOM 756 C SER A 50 -17.721 5.914 -11.722 1.00 0.00 C ATOM 757 O SER A 50 -17.429 4.972 -10.985 1.00 0.00 O ATOM 758 CB SER A 50 -19.734 7.173 -10.934 1.00 0.00 C ATOM 759 OG SER A 50 -20.062 6.340 -9.836 1.00 0.00 O ATOM 0 H SER A 50 -18.662 8.730 -12.545 1.00 0.00 H new ATOM 0 HA SER A 50 -17.732 7.398 -10.183 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.122 8.177 -10.762 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.215 6.796 -11.837 1.00 0.00 H new ATOM 0 HG SER A 50 -21.035 6.318 -9.721 1.00 0.00 H new ATOM 765 N ARG A 51 -17.625 5.854 -13.047 1.00 0.00 N ATOM 766 CA ARG A 51 -17.163 4.649 -13.725 1.00 0.00 C ATOM 767 C ARG A 51 -15.706 4.356 -13.382 1.00 0.00 C ATOM 768 O ARG A 51 -15.351 3.228 -13.041 1.00 0.00 O ATOM 769 CB ARG A 51 -17.322 4.798 -15.239 1.00 0.00 C ATOM 770 CG ARG A 51 -16.662 3.682 -16.033 1.00 0.00 C ATOM 771 CD ARG A 51 -17.283 2.331 -15.717 1.00 0.00 C ATOM 772 NE ARG A 51 -17.107 1.378 -16.810 1.00 0.00 N ATOM 773 CZ ARG A 51 -17.525 0.118 -16.762 1.00 0.00 C ATOM 774 NH1 ARG A 51 -18.141 -0.338 -15.680 1.00 0.00 N ATOM 775 NH2 ARG A 51 -17.328 -0.688 -17.797 1.00 0.00 N ATOM 0 H ARG A 51 -17.861 6.625 -13.671 1.00 0.00 H new ATOM 0 HA ARG A 51 -17.773 3.813 -13.383 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -18.384 4.827 -15.483 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -16.897 5.753 -15.548 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -16.758 3.887 -17.099 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.596 3.655 -15.808 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -16.833 1.929 -14.809 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -18.347 2.459 -15.516 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.637 1.698 -17.657 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -18.295 0.279 -14.882 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -18.461 -1.306 -15.645 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -16.855 -0.341 -18.631 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.650 -1.655 -17.759 1.00 0.00 H new ATOM 789 N PHE A 52 -14.864 5.381 -13.475 1.00 0.00 N ATOM 790 CA PHE A 52 -13.445 5.234 -13.176 1.00 0.00 C ATOM 791 C PHE A 52 -13.177 5.448 -11.689 1.00 0.00 C ATOM 792 O PHE A 52 -12.619 4.582 -11.017 1.00 0.00 O ATOM 793 CB PHE A 52 -12.623 6.226 -14.002 1.00 0.00 C ATOM 794 CG PHE A 52 -12.220 5.696 -15.348 1.00 0.00 C ATOM 795 CD1 PHE A 52 -11.207 4.757 -15.463 1.00 0.00 C ATOM 796 CD2 PHE A 52 -12.853 6.137 -16.499 1.00 0.00 C ATOM 797 CE1 PHE A 52 -10.834 4.267 -16.700 1.00 0.00 C ATOM 798 CE2 PHE A 52 -12.484 5.650 -17.739 1.00 0.00 C ATOM 799 CZ PHE A 52 -11.473 4.715 -17.840 1.00 0.00 C ATOM 0 H PHE A 52 -15.141 6.322 -13.755 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.147 4.219 -13.438 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.201 7.140 -14.139 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.727 6.496 -13.444 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.703 4.404 -14.575 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.643 6.869 -16.427 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.044 3.535 -16.776 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.986 6.001 -18.628 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.182 4.335 -18.808 1.00 0.00 H new ATOM 809 N ALA A 53 -13.579 6.609 -11.183 1.00 0.00 N ATOM 810 CA ALA A 53 -13.384 6.938 -9.776 1.00 0.00 C ATOM 811 C ALA A 53 -14.377 6.187 -8.895 1.00 0.00 C ATOM 812 O ALA A 53 -15.588 6.378 -9.005 1.00 0.00 O ATOM 813 CB ALA A 53 -13.515 8.438 -9.562 1.00 0.00 C ATOM 0 H ALA A 53 -14.042 7.338 -11.726 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.378 6.628 -9.491 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.367 8.669 -8.507 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.763 8.957 -10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.509 8.764 -9.869 1.00 0.00 H new ATOM 819 N ARG A 54 -13.855 5.331 -8.021 1.00 0.00 N ATOM 820 CA ARG A 54 -14.696 4.550 -7.123 1.00 0.00 C ATOM 821 C ARG A 54 -14.285 4.764 -5.669 1.00 0.00 C ATOM 822 O ARG A 54 -13.145 4.493 -5.288 1.00 0.00 O ATOM 823 CB ARG A 54 -14.611 3.063 -7.474 1.00 0.00 C ATOM 824 CG ARG A 54 -15.967 2.382 -7.571 1.00 0.00 C ATOM 825 CD ARG A 54 -15.891 0.927 -7.135 1.00 0.00 C ATOM 826 NE ARG A 54 -16.527 0.033 -8.099 1.00 0.00 N ATOM 827 CZ ARG A 54 -16.039 -0.206 -9.311 1.00 0.00 C ATOM 828 NH1 ARG A 54 -14.917 0.379 -9.706 1.00 0.00 N ATOM 829 NH2 ARG A 54 -16.675 -1.032 -10.132 1.00 0.00 N ATOM 0 H ARG A 54 -12.855 5.162 -7.917 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.725 4.887 -7.245 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.089 2.952 -8.424 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.011 2.554 -6.720 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -16.687 2.913 -6.948 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -16.331 2.437 -8.597 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.847 0.640 -7.009 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.372 0.814 -6.164 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.393 -0.433 -7.827 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.425 1.015 -9.078 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.545 0.193 -10.637 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.539 -1.484 -9.832 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.300 -1.215 -11.063 1.00 0.00 H new ATOM 843 N THR A 55 -15.219 5.254 -4.861 1.00 0.00 N ATOM 844 CA THR A 55 -14.954 5.507 -3.450 1.00 0.00 C ATOM 845 C THR A 55 -14.932 4.207 -2.653 1.00 0.00 C ATOM 846 O THR A 55 -15.821 3.951 -1.842 1.00 0.00 O ATOM 847 CB THR A 55 -16.007 6.452 -2.841 1.00 0.00 C ATOM 848 OG1 THR A 55 -17.301 5.842 -2.893 1.00 0.00 O ATOM 849 CG2 THR A 55 -16.036 7.780 -3.582 1.00 0.00 C ATOM 0 H THR A 55 -16.167 5.484 -5.160 1.00 0.00 H new ATOM 0 HA THR A 55 -13.975 5.982 -3.393 1.00 0.00 H new ATOM 0 HB THR A 55 -15.736 6.640 -1.802 1.00 0.00 H new ATOM 0 HG1 THR A 55 -17.269 4.969 -2.448 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.787 8.430 -3.134 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.058 8.256 -3.515 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.284 7.607 -4.629 1.00 0.00 H new ATOM 857 N ASP A 56 -13.911 3.391 -2.889 1.00 0.00 N ATOM 858 CA ASP A 56 -13.772 2.118 -2.192 1.00 0.00 C ATOM 859 C ASP A 56 -12.365 1.554 -2.365 1.00 0.00 C ATOM 860 O ASP A 56 -11.627 1.968 -3.258 1.00 0.00 O ATOM 861 CB ASP A 56 -14.804 1.115 -2.708 1.00 0.00 C ATOM 862 CG ASP A 56 -16.104 1.168 -1.929 1.00 0.00 C ATOM 863 OD1 ASP A 56 -16.049 1.157 -0.682 1.00 0.00 O ATOM 864 OD2 ASP A 56 -17.176 1.221 -2.568 1.00 0.00 O ATOM 0 H ASP A 56 -13.167 3.589 -3.558 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.946 2.292 -1.130 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.006 1.315 -3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.389 0.109 -2.649 1.00 0.00 H new ATOM 869 N GLU A 57 -12.002 0.610 -1.503 1.00 0.00 N ATOM 870 CA GLU A 57 -10.683 -0.009 -1.560 1.00 0.00 C ATOM 871 C GLU A 57 -9.587 1.020 -1.296 1.00 0.00 C ATOM 872 O GLU A 57 -8.528 0.989 -1.922 1.00 0.00 O ATOM 873 CB GLU A 57 -10.461 -0.666 -2.924 1.00 0.00 C ATOM 874 CG GLU A 57 -9.423 -1.775 -2.904 1.00 0.00 C ATOM 875 CD GLU A 57 -9.509 -2.677 -4.120 1.00 0.00 C ATOM 876 OE1 GLU A 57 -9.775 -2.160 -5.225 1.00 0.00 O ATOM 877 OE2 GLU A 57 -9.310 -3.901 -3.965 1.00 0.00 O ATOM 0 H GLU A 57 -12.602 0.257 -0.757 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.636 -0.773 -0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.408 -1.072 -3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.152 0.096 -3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.427 -1.335 -2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.554 -2.373 -2.002 1.00 0.00 H new ATOM 884 N ILE A 58 -9.852 1.931 -0.365 1.00 0.00 N ATOM 885 CA ILE A 58 -8.889 2.969 -0.017 1.00 0.00 C ATOM 886 C ILE A 58 -8.302 2.732 1.370 1.00 0.00 C ATOM 887 O ILE A 58 -9.034 2.585 2.348 1.00 0.00 O ATOM 888 CB ILE A 58 -9.531 4.369 -0.059 1.00 0.00 C ATOM 889 CG1 ILE A 58 -10.171 4.620 -1.425 1.00 0.00 C ATOM 890 CG2 ILE A 58 -8.493 5.437 0.251 1.00 0.00 C ATOM 891 CD1 ILE A 58 -11.044 5.855 -1.466 1.00 0.00 C ATOM 0 H ILE A 58 -10.725 1.971 0.161 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.092 2.921 -0.759 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.311 4.418 0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -9.384 4.716 -2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.770 3.752 -1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.962 6.421 0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.080 5.265 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.692 5.391 -0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -11.465 5.970 -2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.852 5.754 -0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -10.445 6.732 -1.221 1.00 0.00 H new ATOM 903 N MET A 59 -6.976 2.699 1.447 1.00 0.00 N ATOM 904 CA MET A 59 -6.290 2.483 2.715 1.00 0.00 C ATOM 905 C MET A 59 -5.634 3.770 3.205 1.00 0.00 C ATOM 906 O MET A 59 -5.391 4.702 2.438 1.00 0.00 O ATOM 907 CB MET A 59 -5.235 1.384 2.569 1.00 0.00 C ATOM 908 CG MET A 59 -5.792 -0.019 2.747 1.00 0.00 C ATOM 909 SD MET A 59 -5.156 -0.837 4.223 1.00 0.00 S ATOM 910 CE MET A 59 -5.686 -2.523 3.931 1.00 0.00 C ATOM 0 H MET A 59 -6.355 2.819 0.647 1.00 0.00 H new ATOM 0 HA MET A 59 -7.031 2.170 3.451 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.775 1.461 1.584 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.446 1.549 3.303 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.879 0.031 2.804 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.546 -0.618 1.870 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.366 -3.154 4.760 1.00 0.00 H new ATOM 0 HE2 MET A 59 -6.773 -2.554 3.850 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.242 -2.889 3.005 1.00 0.00 H new ATOM 920 N PRO A 60 -5.341 3.826 4.513 1.00 0.00 N ATOM 921 CA PRO A 60 -4.710 4.995 5.133 1.00 0.00 C ATOM 922 C PRO A 60 -3.258 5.167 4.701 1.00 0.00 C ATOM 923 O PRO A 60 -2.671 6.233 4.882 1.00 0.00 O ATOM 924 CB PRO A 60 -4.789 4.687 6.631 1.00 0.00 C ATOM 925 CG PRO A 60 -4.852 3.200 6.709 1.00 0.00 C ATOM 926 CD PRO A 60 -5.603 2.753 5.486 1.00 0.00 C ATOM 0 HA PRO A 60 -5.203 5.924 4.848 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.919 5.075 7.161 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.669 5.145 7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.852 2.768 6.732 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.360 2.878 7.618 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.246 1.788 5.126 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.669 2.644 5.687 1.00 0.00 H new ATOM 934 N GLU A 61 -2.686 4.113 4.128 1.00 0.00 N ATOM 935 CA GLU A 61 -1.302 4.149 3.670 1.00 0.00 C ATOM 936 C GLU A 61 -1.231 4.477 2.182 1.00 0.00 C ATOM 937 O GLU A 61 -0.339 4.008 1.474 1.00 0.00 O ATOM 938 CB GLU A 61 -0.616 2.809 3.942 1.00 0.00 C ATOM 939 CG GLU A 61 -0.259 2.594 5.404 1.00 0.00 C ATOM 940 CD GLU A 61 -1.378 1.934 6.186 1.00 0.00 C ATOM 941 OE1 GLU A 61 -2.008 1.000 5.647 1.00 0.00 O ATOM 942 OE2 GLU A 61 -1.624 2.352 7.337 1.00 0.00 O ATOM 0 H GLU A 61 -3.160 3.224 3.970 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.783 4.932 4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.271 2.002 3.614 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.292 2.747 3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.637 1.977 5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.019 3.554 5.861 1.00 0.00 H new ATOM 949 N ASP A 62 -2.176 5.285 1.714 1.00 0.00 N ATOM 950 CA ASP A 62 -2.220 5.677 0.310 1.00 0.00 C ATOM 951 C ASP A 62 -1.443 6.970 0.082 1.00 0.00 C ATOM 952 O ASP A 62 -1.384 7.834 0.957 1.00 0.00 O ATOM 953 CB ASP A 62 -3.669 5.851 -0.147 1.00 0.00 C ATOM 954 CG ASP A 62 -4.340 7.049 0.496 1.00 0.00 C ATOM 955 OD1 ASP A 62 -4.244 7.189 1.733 1.00 0.00 O ATOM 956 OD2 ASP A 62 -4.959 7.846 -0.238 1.00 0.00 O ATOM 0 H ASP A 62 -2.922 5.681 2.286 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.754 4.886 -0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.694 5.963 -1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.233 4.950 0.093 1.00 0.00 H new ATOM 961 N LYS A 63 -0.847 7.096 -1.099 1.00 0.00 N ATOM 962 CA LYS A 63 -0.074 8.283 -1.444 1.00 0.00 C ATOM 963 C LYS A 63 -0.392 8.747 -2.862 1.00 0.00 C ATOM 964 O LYS A 63 -1.069 8.049 -3.618 1.00 0.00 O ATOM 965 CB LYS A 63 1.424 7.996 -1.314 1.00 0.00 C ATOM 966 CG LYS A 63 1.942 6.994 -2.332 1.00 0.00 C ATOM 967 CD LYS A 63 3.121 6.205 -1.787 1.00 0.00 C ATOM 968 CE LYS A 63 4.434 6.937 -2.016 1.00 0.00 C ATOM 969 NZ LYS A 63 5.607 6.032 -1.864 1.00 0.00 N ATOM 0 H LYS A 63 -0.885 6.390 -1.834 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.348 9.078 -0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.975 8.930 -1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.628 7.621 -0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.141 6.309 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.242 7.518 -3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.982 6.031 -0.720 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.159 5.227 -2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.438 7.372 -3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.518 7.762 -1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.483 6.568 -2.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.618 5.636 -0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.540 5.258 -2.556 1.00 0.00 H new ATOM 983 N THR A 64 0.101 9.929 -3.217 1.00 0.00 N ATOM 984 CA THR A 64 -0.131 10.486 -4.544 1.00 0.00 C ATOM 985 C THR A 64 0.905 9.980 -5.542 1.00 0.00 C ATOM 986 O THR A 64 2.108 10.041 -5.288 1.00 0.00 O ATOM 987 CB THR A 64 -0.095 12.026 -4.521 1.00 0.00 C ATOM 988 OG1 THR A 64 -0.463 12.505 -3.223 1.00 0.00 O ATOM 989 CG2 THR A 64 -1.035 12.604 -5.567 1.00 0.00 C ATOM 0 H THR A 64 0.664 10.519 -2.604 1.00 0.00 H new ATOM 0 HA THR A 64 -1.122 10.157 -4.855 1.00 0.00 H new ATOM 0 HB THR A 64 0.921 12.348 -4.751 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.436 13.485 -3.216 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.993 13.693 -5.532 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.733 12.261 -6.557 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.054 12.274 -5.363 1.00 0.00 H new ATOM 997 N VAL A 65 0.431 9.480 -6.678 1.00 0.00 N ATOM 998 CA VAL A 65 1.316 8.965 -7.716 1.00 0.00 C ATOM 999 C VAL A 65 1.456 9.959 -8.863 1.00 0.00 C ATOM 1000 O VAL A 65 2.418 9.909 -9.628 1.00 0.00 O ATOM 1001 CB VAL A 65 0.806 7.622 -8.273 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -0.494 7.821 -9.037 1.00 0.00 C ATOM 1003 CG2 VAL A 65 1.861 6.979 -9.160 1.00 0.00 C ATOM 0 H VAL A 65 -0.562 9.420 -6.903 1.00 0.00 H new ATOM 0 HA VAL A 65 2.291 8.811 -7.253 1.00 0.00 H new ATOM 0 HB VAL A 65 0.610 6.952 -7.436 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.839 6.862 -9.423 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.249 8.236 -8.369 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.327 8.507 -9.867 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.484 6.031 -9.545 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.090 7.644 -9.993 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.766 6.801 -8.579 1.00 0.00 H new ATOM 1013 N GLY A 66 0.488 10.864 -8.976 1.00 0.00 N ATOM 1014 CA GLY A 66 0.522 11.858 -10.032 1.00 0.00 C ATOM 1015 C GLY A 66 -0.686 12.773 -10.006 1.00 0.00 C ATOM 1016 O GLY A 66 -1.700 12.458 -9.382 1.00 0.00 O ATOM 0 H GLY A 66 -0.319 10.926 -8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.429 12.455 -9.935 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.573 11.356 -10.998 1.00 0.00 H new ATOM 1020 N PHE A 67 -0.579 13.912 -10.683 1.00 0.00 N ATOM 1021 CA PHE A 67 -1.670 14.878 -10.732 1.00 0.00 C ATOM 1022 C PHE A 67 -1.864 15.407 -12.150 1.00 0.00 C ATOM 1023 O PHE A 67 -0.897 15.655 -12.871 1.00 0.00 O ATOM 1024 CB PHE A 67 -1.394 16.040 -9.776 1.00 0.00 C ATOM 1025 CG PHE A 67 -0.130 16.787 -10.089 1.00 0.00 C ATOM 1026 CD1 PHE A 67 1.104 16.271 -9.728 1.00 0.00 C ATOM 1027 CD2 PHE A 67 -0.175 18.007 -10.745 1.00 0.00 C ATOM 1028 CE1 PHE A 67 2.269 16.956 -10.015 1.00 0.00 C ATOM 1029 CE2 PHE A 67 0.987 18.697 -11.036 1.00 0.00 C ATOM 1030 CZ PHE A 67 2.211 18.171 -10.669 1.00 0.00 C ATOM 0 H PHE A 67 0.252 14.188 -11.205 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.585 14.372 -10.423 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.234 16.734 -9.808 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.337 15.656 -8.757 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.156 15.322 -9.216 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.129 18.424 -11.032 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.224 16.542 -9.728 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.938 19.646 -11.549 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.120 18.709 -10.893 1.00 0.00 H new ATOM 1040 N VAL A 68 -3.122 15.576 -12.545 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.445 16.076 -13.876 1.00 0.00 C ATOM 1042 C VAL A 68 -4.461 17.210 -13.806 1.00 0.00 C ATOM 1043 O VAL A 68 -5.523 17.071 -13.200 1.00 0.00 O ATOM 1044 CB VAL A 68 -4.003 14.957 -14.776 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.354 15.502 -16.152 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -3.006 13.813 -14.884 1.00 0.00 C ATOM 0 H VAL A 68 -3.934 15.374 -11.962 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.516 16.450 -14.307 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.916 14.571 -14.322 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.746 14.697 -16.773 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.107 16.284 -16.053 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.460 15.917 -16.618 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.417 13.032 -15.523 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.075 14.181 -15.314 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.811 13.405 -13.892 1.00 0.00 H new ATOM 1056 N VAL A 69 -4.127 18.335 -14.431 1.00 0.00 N ATOM 1057 CA VAL A 69 -5.011 19.495 -14.441 1.00 0.00 C ATOM 1058 C VAL A 69 -5.665 19.675 -15.806 1.00 0.00 C ATOM 1059 O VAL A 69 -4.988 19.927 -16.803 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.250 20.783 -14.075 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -5.215 21.950 -13.930 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.447 20.583 -12.798 1.00 0.00 C ATOM 0 H VAL A 69 -3.251 18.468 -14.937 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.782 19.312 -13.693 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.555 21.015 -14.882 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.660 22.851 -13.671 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.741 22.106 -14.872 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.936 21.730 -13.143 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.916 21.503 -12.554 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.121 20.326 -11.981 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.728 19.776 -12.943 1.00 0.00 H new ATOM 1072 N VAL A 70 -6.987 19.545 -15.844 1.00 0.00 N ATOM 1073 CA VAL A 70 -7.735 19.696 -17.087 1.00 0.00 C ATOM 1074 C VAL A 70 -8.868 20.703 -16.928 1.00 0.00 C ATOM 1075 O VAL A 70 -9.790 20.496 -16.140 1.00 0.00 O ATOM 1076 CB VAL A 70 -8.320 18.350 -17.556 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -9.139 18.537 -18.824 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -7.210 17.333 -17.773 1.00 0.00 C ATOM 0 H VAL A 70 -7.563 19.335 -15.028 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.033 20.060 -17.837 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.982 17.970 -16.778 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.544 17.576 -19.140 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.958 19.230 -18.629 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.503 18.940 -19.612 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.642 16.388 -18.104 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.521 17.703 -18.532 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.671 17.178 -16.838 1.00 0.00 H new ATOM 1088 N ASN A 71 -8.793 21.794 -17.683 1.00 0.00 N ATOM 1089 CA ASN A 71 -9.813 22.834 -17.627 1.00 0.00 C ATOM 1090 C ASN A 71 -10.265 23.231 -19.029 1.00 0.00 C ATOM 1091 O ASN A 71 -9.549 23.926 -19.749 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.279 24.061 -16.885 1.00 0.00 C ATOM 1093 CG ASN A 71 -8.944 23.761 -15.437 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -7.829 23.074 -15.218 1.00 0.00 O flip ATOM 1095 ND2 ASN A 71 -9.680 24.143 -14.526 1.00 0.00 N flip ATOM 0 H ASN A 71 -8.036 21.981 -18.341 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.672 22.436 -17.087 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.387 24.429 -17.392 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.021 24.858 -16.926 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.527 24.668 -14.741 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.442 23.934 -13.556 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.457 22.783 -19.410 1.00 0.00 N ATOM 1103 CA ALA A 72 -12.005 23.093 -20.724 1.00 0.00 C ATOM 1104 C ALA A 72 -12.310 24.582 -20.855 1.00 0.00 C ATOM 1105 O ALA A 72 -12.362 25.120 -21.961 1.00 0.00 O ATOM 1106 CB ALA A 72 -13.260 22.271 -20.980 1.00 0.00 C ATOM 0 H ALA A 72 -12.061 22.204 -18.827 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.256 22.835 -21.472 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.659 22.513 -21.965 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.015 21.210 -20.938 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.007 22.501 -20.220 1.00 0.00 H new ATOM 1112 N ASP A 73 -12.513 25.241 -19.719 1.00 0.00 N ATOM 1113 CA ASP A 73 -12.813 26.668 -19.707 1.00 0.00 C ATOM 1114 C ASP A 73 -11.576 27.486 -20.066 1.00 0.00 C ATOM 1115 O ASP A 73 -11.624 28.353 -20.939 1.00 0.00 O ATOM 1116 CB ASP A 73 -13.337 27.089 -18.333 1.00 0.00 C ATOM 1117 CG ASP A 73 -12.453 26.601 -17.202 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -12.517 25.397 -16.877 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -11.699 27.423 -16.641 1.00 0.00 O ATOM 0 H ASP A 73 -12.475 24.810 -18.795 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.583 26.859 -20.455 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.408 28.176 -18.292 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.345 26.698 -18.197 1.00 0.00 H new ATOM 1124 N LYS A 74 -10.470 27.207 -19.385 1.00 0.00 N ATOM 1125 CA LYS A 74 -9.220 27.916 -19.631 1.00 0.00 C ATOM 1126 C LYS A 74 -8.304 27.103 -20.541 1.00 0.00 C ATOM 1127 O LYS A 74 -7.095 27.332 -20.586 1.00 0.00 O ATOM 1128 CB LYS A 74 -8.510 28.213 -18.308 1.00 0.00 C ATOM 1129 CG LYS A 74 -9.211 29.264 -17.465 1.00 0.00 C ATOM 1130 CD LYS A 74 -8.803 29.169 -16.004 1.00 0.00 C ATOM 1131 CE LYS A 74 -9.551 30.180 -15.150 1.00 0.00 C ATOM 1132 NZ LYS A 74 -9.135 31.578 -15.452 1.00 0.00 N ATOM 0 H LYS A 74 -10.414 26.494 -18.658 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.456 28.857 -20.129 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.431 27.291 -17.732 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.493 28.546 -18.517 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.972 30.257 -17.847 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.291 29.140 -17.551 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.000 28.163 -15.635 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.730 29.337 -15.913 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.623 30.076 -15.319 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.372 29.968 -14.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.604 32.230 -14.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.104 31.663 -15.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.406 31.818 -16.427 1.00 0.00 H new ATOM 1146 N LYS A 75 -8.887 26.154 -21.265 1.00 0.00 N ATOM 1147 CA LYS A 75 -8.124 25.309 -22.176 1.00 0.00 C ATOM 1148 C LYS A 75 -6.771 24.944 -21.575 1.00 0.00 C ATOM 1149 O LYS A 75 -5.736 25.058 -22.235 1.00 0.00 O ATOM 1150 CB LYS A 75 -7.925 26.019 -23.517 1.00 0.00 C ATOM 1151 CG LYS A 75 -7.180 27.338 -23.401 1.00 0.00 C ATOM 1152 CD LYS A 75 -6.691 27.823 -24.756 1.00 0.00 C ATOM 1153 CE LYS A 75 -6.027 29.188 -24.653 1.00 0.00 C ATOM 1154 NZ LYS A 75 -7.015 30.264 -24.366 1.00 0.00 N ATOM 0 H LYS A 75 -9.886 25.951 -21.239 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.688 24.391 -22.339 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.377 25.360 -24.190 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.899 26.200 -23.971 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.835 28.089 -22.959 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.331 27.219 -22.728 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.984 27.103 -25.168 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.531 27.877 -25.449 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.274 29.167 -23.866 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.508 29.411 -25.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.562 31.192 -24.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.818 30.182 -25.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.356 30.170 -23.388 1.00 0.00 H new ATOM 1168 N LEU A 76 -6.784 24.505 -20.322 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.557 24.122 -19.632 1.00 0.00 C ATOM 1170 C LEU A 76 -5.426 22.604 -19.557 1.00 0.00 C ATOM 1171 O LEU A 76 -6.341 21.914 -19.108 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.532 24.718 -18.224 1.00 0.00 C ATOM 1173 CG LEU A 76 -5.522 26.244 -18.141 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -5.341 26.700 -16.702 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -4.426 26.819 -19.026 1.00 0.00 C ATOM 0 H LEU A 76 -7.631 24.405 -19.762 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.713 24.514 -20.200 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.402 24.350 -17.680 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.650 24.340 -17.707 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.483 26.614 -18.499 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.336 27.789 -16.663 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.161 26.319 -16.094 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.395 26.319 -16.316 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.434 27.907 -18.954 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.458 26.441 -18.698 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.600 26.522 -20.060 1.00 0.00 H new ATOM 1187 N MET A 77 -4.281 22.091 -19.997 1.00 0.00 N ATOM 1188 CA MET A 77 -4.030 20.655 -19.976 1.00 0.00 C ATOM 1189 C MET A 77 -2.607 20.359 -19.510 1.00 0.00 C ATOM 1190 O MET A 77 -1.640 20.660 -20.210 1.00 0.00 O ATOM 1191 CB MET A 77 -4.260 20.055 -21.364 1.00 0.00 C ATOM 1192 CG MET A 77 -5.637 20.354 -21.934 1.00 0.00 C ATOM 1193 SD MET A 77 -6.911 19.254 -21.287 1.00 0.00 S ATOM 1194 CE MET A 77 -8.394 20.087 -21.848 1.00 0.00 C ATOM 0 H MET A 77 -3.513 22.648 -20.372 1.00 0.00 H new ATOM 0 HA MET A 77 -4.726 20.200 -19.272 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.502 20.438 -22.047 1.00 0.00 H new ATOM 0 HB3 MET A 77 -4.124 18.975 -21.311 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.904 21.386 -21.706 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.603 20.266 -23.020 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.253 19.429 -21.716 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.541 20.998 -21.268 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.291 20.342 -22.903 1.00 0.00 H new ATOM 1204 N SER A 78 -2.488 19.768 -18.326 1.00 0.00 N ATOM 1205 CA SER A 78 -1.183 19.435 -17.766 1.00 0.00 C ATOM 1206 C SER A 78 -1.228 18.090 -17.046 1.00 0.00 C ATOM 1207 O SER A 78 -2.071 17.865 -16.179 1.00 0.00 O ATOM 1208 CB SER A 78 -0.726 20.529 -16.799 1.00 0.00 C ATOM 1209 OG SER A 78 -0.390 21.717 -17.494 1.00 0.00 O ATOM 0 H SER A 78 -3.279 19.510 -17.736 1.00 0.00 H new ATOM 0 HA SER A 78 -0.470 19.364 -18.587 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.518 20.737 -16.080 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.137 20.180 -16.231 1.00 0.00 H new ATOM 0 HG SER A 78 0.526 21.982 -17.266 1.00 0.00 H new ATOM 1215 N VAL A 79 -0.312 17.199 -17.414 1.00 0.00 N ATOM 1216 CA VAL A 79 -0.245 15.877 -16.804 1.00 0.00 C ATOM 1217 C VAL A 79 1.136 15.613 -16.214 1.00 0.00 C ATOM 1218 O VAL A 79 2.146 15.695 -16.912 1.00 0.00 O ATOM 1219 CB VAL A 79 -0.575 14.771 -17.824 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -2.032 14.855 -18.251 1.00 0.00 C ATOM 1221 CG2 VAL A 79 0.348 14.866 -19.029 1.00 0.00 C ATOM 0 H VAL A 79 0.393 17.369 -18.131 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.987 15.859 -16.006 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.416 13.803 -17.348 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.246 14.066 -18.972 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.674 14.734 -17.379 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.221 15.826 -18.709 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.101 14.077 -19.740 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.223 15.837 -19.507 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.382 14.752 -18.705 1.00 0.00 H new ATOM 1231 N SER A 80 1.171 15.297 -14.924 1.00 0.00 N ATOM 1232 CA SER A 80 2.429 15.024 -14.238 1.00 0.00 C ATOM 1233 C SER A 80 2.280 13.850 -13.275 1.00 0.00 C ATOM 1234 O SER A 80 1.727 13.993 -12.184 1.00 0.00 O ATOM 1235 CB SER A 80 2.899 16.266 -13.477 1.00 0.00 C ATOM 1236 OG SER A 80 1.871 17.238 -13.403 1.00 0.00 O ATOM 0 H SER A 80 0.343 15.224 -14.332 1.00 0.00 H new ATOM 0 HA SER A 80 3.174 14.762 -14.989 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.210 15.984 -12.471 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.771 16.692 -13.973 1.00 0.00 H new ATOM 0 HG SER A 80 2.080 17.882 -12.695 1.00 0.00 H new ATOM 1242 N PHE A 81 2.777 12.688 -13.688 1.00 0.00 N ATOM 1243 CA PHE A 81 2.698 11.488 -12.863 1.00 0.00 C ATOM 1244 C PHE A 81 4.076 10.855 -12.692 1.00 0.00 C ATOM 1245 O PHE A 81 5.049 11.281 -13.316 1.00 0.00 O ATOM 1246 CB PHE A 81 1.734 10.477 -13.488 1.00 0.00 C ATOM 1247 CG PHE A 81 1.914 10.314 -14.970 1.00 0.00 C ATOM 1248 CD1 PHE A 81 1.289 11.178 -15.856 1.00 0.00 C ATOM 1249 CD2 PHE A 81 2.707 9.298 -15.478 1.00 0.00 C ATOM 1250 CE1 PHE A 81 1.452 11.030 -17.220 1.00 0.00 C ATOM 1251 CE2 PHE A 81 2.874 9.146 -16.842 1.00 0.00 C ATOM 1252 CZ PHE A 81 2.246 10.013 -17.714 1.00 0.00 C ATOM 0 H PHE A 81 3.238 12.552 -14.588 1.00 0.00 H new ATOM 0 HA PHE A 81 2.325 11.776 -11.880 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.871 9.510 -13.005 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.710 10.791 -13.287 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.668 11.976 -15.476 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.200 8.617 -14.801 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.959 11.709 -17.900 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.495 8.350 -17.225 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.375 9.896 -18.780 1.00 0.00 H new ATOM 1262 N SER A 82 4.151 9.836 -11.842 1.00 0.00 N ATOM 1263 CA SER A 82 5.410 9.146 -11.585 1.00 0.00 C ATOM 1264 C SER A 82 6.071 8.716 -12.891 1.00 0.00 C ATOM 1265 O SER A 82 5.395 8.477 -13.892 1.00 0.00 O ATOM 1266 CB SER A 82 5.174 7.925 -10.693 1.00 0.00 C ATOM 1267 OG SER A 82 6.394 7.440 -10.160 1.00 0.00 O ATOM 0 H SER A 82 3.355 9.470 -11.320 1.00 0.00 H new ATOM 0 HA SER A 82 6.077 9.839 -11.072 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.498 8.190 -9.880 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.687 7.138 -11.269 1.00 0.00 H new ATOM 0 HG SER A 82 6.216 6.661 -9.592 1.00 0.00 H new ATOM 1273 N ASP A 83 7.396 8.621 -12.873 1.00 0.00 N ATOM 1274 CA ASP A 83 8.150 8.219 -14.054 1.00 0.00 C ATOM 1275 C ASP A 83 7.911 6.748 -14.377 1.00 0.00 C ATOM 1276 O ASP A 83 8.481 5.862 -13.738 1.00 0.00 O ATOM 1277 CB ASP A 83 9.643 8.472 -13.843 1.00 0.00 C ATOM 1278 CG ASP A 83 10.007 9.938 -13.977 1.00 0.00 C ATOM 1279 OD1 ASP A 83 9.559 10.741 -13.132 1.00 0.00 O ATOM 1280 OD2 ASP A 83 10.740 10.282 -14.927 1.00 0.00 O ATOM 0 H ASP A 83 7.970 8.817 -12.053 1.00 0.00 H new ATOM 0 HA ASP A 83 7.804 8.818 -14.896 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.932 8.118 -12.853 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.213 7.891 -14.568 1.00 0.00 H new ATOM 1285 N ILE A 84 7.066 6.494 -15.370 1.00 0.00 N ATOM 1286 CA ILE A 84 6.752 5.130 -15.776 1.00 0.00 C ATOM 1287 C ILE A 84 7.590 4.709 -16.979 1.00 0.00 C ATOM 1288 O ILE A 84 8.430 5.469 -17.460 1.00 0.00 O ATOM 1289 CB ILE A 84 5.260 4.975 -16.124 1.00 0.00 C ATOM 1290 CG1 ILE A 84 4.846 6.016 -17.166 1.00 0.00 C ATOM 1291 CG2 ILE A 84 4.408 5.103 -14.870 1.00 0.00 C ATOM 1292 CD1 ILE A 84 3.455 5.798 -17.718 1.00 0.00 C ATOM 0 H ILE A 84 6.586 7.215 -15.909 1.00 0.00 H new ATOM 0 HA ILE A 84 6.987 4.486 -14.929 1.00 0.00 H new ATOM 0 HB ILE A 84 5.101 3.983 -16.547 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.899 7.008 -16.718 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.561 5.999 -17.988 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.356 4.991 -15.132 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.689 4.327 -14.158 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.568 6.083 -14.420 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.229 6.573 -18.451 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.402 4.820 -18.196 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.730 5.844 -16.906 1.00 0.00 H new ATOM 1304 N ASP A 85 7.353 3.494 -17.462 1.00 0.00 N ATOM 1305 CA ASP A 85 8.083 2.972 -18.611 1.00 0.00 C ATOM 1306 C ASP A 85 7.886 3.866 -19.831 1.00 0.00 C ATOM 1307 O ASP A 85 6.985 4.703 -19.860 1.00 0.00 O ATOM 1308 CB ASP A 85 7.626 1.547 -18.928 1.00 0.00 C ATOM 1309 CG ASP A 85 8.227 0.523 -17.985 1.00 0.00 C ATOM 1310 OD1 ASP A 85 9.435 0.235 -18.113 1.00 0.00 O ATOM 1311 OD2 ASP A 85 7.489 0.011 -17.118 1.00 0.00 O ATOM 0 H ASP A 85 6.661 2.852 -17.075 1.00 0.00 H new ATOM 0 HA ASP A 85 9.144 2.958 -18.361 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.539 1.496 -18.870 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.903 1.299 -19.953 1.00 0.00 H new ATOM 1316 N GLU A 86 8.736 3.682 -20.837 1.00 0.00 N ATOM 1317 CA GLU A 86 8.656 4.473 -22.059 1.00 0.00 C ATOM 1318 C GLU A 86 7.486 4.017 -22.926 1.00 0.00 C ATOM 1319 O GLU A 86 6.870 4.819 -23.627 1.00 0.00 O ATOM 1320 CB GLU A 86 9.962 4.367 -22.848 1.00 0.00 C ATOM 1321 CG GLU A 86 10.309 2.947 -23.264 1.00 0.00 C ATOM 1322 CD GLU A 86 11.662 2.851 -23.941 1.00 0.00 C ATOM 1323 OE1 GLU A 86 12.687 3.019 -23.247 1.00 0.00 O ATOM 1324 OE2 GLU A 86 11.696 2.608 -25.165 1.00 0.00 O ATOM 0 H GLU A 86 9.487 2.992 -20.829 1.00 0.00 H new ATOM 0 HA GLU A 86 8.494 5.514 -21.778 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.890 4.990 -23.739 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.775 4.768 -22.244 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.300 2.303 -22.385 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.541 2.573 -23.941 1.00 0.00 H new ATOM 1331 N ASN A 87 7.186 2.724 -22.873 1.00 0.00 N ATOM 1332 CA ASN A 87 6.092 2.160 -23.655 1.00 0.00 C ATOM 1333 C ASN A 87 4.791 2.912 -23.389 1.00 0.00 C ATOM 1334 O ASN A 87 4.010 3.165 -24.306 1.00 0.00 O ATOM 1335 CB ASN A 87 5.913 0.677 -23.325 1.00 0.00 C ATOM 1336 CG ASN A 87 5.166 -0.071 -24.413 1.00 0.00 C ATOM 1337 OD1 ASN A 87 3.936 -0.132 -24.407 1.00 0.00 O ATOM 1338 ND2 ASN A 87 5.908 -0.645 -25.353 1.00 0.00 N ATOM 0 H ASN A 87 7.685 2.047 -22.297 1.00 0.00 H new ATOM 0 HA ASN A 87 6.342 2.262 -24.711 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.891 0.219 -23.179 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.372 0.580 -22.384 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.461 -1.162 -26.110 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.925 -0.568 -25.318 1.00 0.00 H new ATOM 1345 N MET A 88 4.565 3.265 -22.128 1.00 0.00 N ATOM 1346 CA MET A 88 3.359 3.989 -21.742 1.00 0.00 C ATOM 1347 C MET A 88 3.465 5.462 -22.123 1.00 0.00 C ATOM 1348 O MET A 88 2.467 6.100 -22.459 1.00 0.00 O ATOM 1349 CB MET A 88 3.118 3.856 -20.237 1.00 0.00 C ATOM 1350 CG MET A 88 2.546 2.507 -19.831 1.00 0.00 C ATOM 1351 SD MET A 88 3.234 1.900 -18.279 1.00 0.00 S ATOM 1352 CE MET A 88 1.753 1.765 -17.281 1.00 0.00 C ATOM 0 H MET A 88 5.200 3.062 -21.356 1.00 0.00 H new ATOM 0 HA MET A 88 2.516 3.552 -22.277 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.059 4.016 -19.711 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.436 4.643 -19.915 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.463 2.589 -19.736 1.00 0.00 H new ATOM 0 HG3 MET A 88 2.743 1.781 -20.620 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.015 1.400 -16.288 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.282 2.744 -17.195 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.059 1.068 -17.752 1.00 0.00 H new ATOM 1362 N LYS A 89 4.679 5.998 -22.068 1.00 0.00 N ATOM 1363 CA LYS A 89 4.916 7.396 -22.408 1.00 0.00 C ATOM 1364 C LYS A 89 4.435 7.701 -23.823 1.00 0.00 C ATOM 1365 O LYS A 89 3.938 8.793 -24.099 1.00 0.00 O ATOM 1366 CB LYS A 89 6.405 7.728 -22.282 1.00 0.00 C ATOM 1367 CG LYS A 89 6.878 7.865 -20.845 1.00 0.00 C ATOM 1368 CD LYS A 89 8.363 8.179 -20.774 1.00 0.00 C ATOM 1369 CE LYS A 89 8.627 9.666 -20.955 1.00 0.00 C ATOM 1370 NZ LYS A 89 10.084 9.967 -21.011 1.00 0.00 N ATOM 0 H LYS A 89 5.516 5.485 -21.791 1.00 0.00 H new ATOM 0 HA LYS A 89 4.352 8.014 -21.710 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.986 6.948 -22.774 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.607 8.658 -22.813 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.314 8.655 -20.349 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.674 6.941 -20.304 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.760 7.852 -19.813 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.892 7.618 -21.544 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.149 10.011 -21.872 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.173 10.218 -20.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.223 10.990 -21.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.536 9.661 -20.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.513 9.460 -21.812 1.00 0.00 H new ATOM 1384 N LYS A 90 4.583 6.728 -24.716 1.00 0.00 N ATOM 1385 CA LYS A 90 4.161 6.890 -26.102 1.00 0.00 C ATOM 1386 C LYS A 90 2.672 7.210 -26.184 1.00 0.00 C ATOM 1387 O LYS A 90 2.274 8.213 -26.776 1.00 0.00 O ATOM 1388 CB LYS A 90 4.466 5.622 -26.902 1.00 0.00 C ATOM 1389 CG LYS A 90 4.330 5.802 -28.404 1.00 0.00 C ATOM 1390 CD LYS A 90 4.828 4.581 -29.159 1.00 0.00 C ATOM 1391 CE LYS A 90 3.715 3.567 -29.376 1.00 0.00 C ATOM 1392 NZ LYS A 90 4.236 2.276 -29.905 1.00 0.00 N ATOM 0 H LYS A 90 4.992 5.818 -24.504 1.00 0.00 H new ATOM 0 HA LYS A 90 4.718 7.724 -26.529 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.480 5.294 -26.674 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.794 4.828 -26.578 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.286 5.986 -28.656 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.893 6.680 -28.719 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.234 4.889 -30.123 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.642 4.116 -28.604 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.196 3.390 -28.434 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.982 3.975 -30.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.447 1.612 -30.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.709 2.440 -30.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.916 1.873 -29.229 1.00 0.00 H new ATOM 1406 N VAL A 91 1.854 6.351 -25.584 1.00 0.00 N ATOM 1407 CA VAL A 91 0.408 6.544 -25.586 1.00 0.00 C ATOM 1408 C VAL A 91 0.025 7.841 -24.883 1.00 0.00 C ATOM 1409 O VAL A 91 -0.707 8.664 -25.433 1.00 0.00 O ATOM 1410 CB VAL A 91 -0.316 5.369 -24.903 1.00 0.00 C ATOM 1411 CG1 VAL A 91 -1.823 5.524 -25.029 1.00 0.00 C ATOM 1412 CG2 VAL A 91 0.143 4.044 -25.494 1.00 0.00 C ATOM 0 H VAL A 91 2.167 5.515 -25.091 1.00 0.00 H new ATOM 0 HA VAL A 91 0.097 6.595 -26.630 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.062 5.376 -23.843 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.317 4.684 -24.540 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.134 6.454 -24.554 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.100 5.545 -26.083 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.379 3.225 -24.999 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.080 4.025 -26.561 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.217 3.932 -25.346 1.00 0.00 H new ATOM 1422 N ILE A 92 0.525 8.016 -23.664 1.00 0.00 N ATOM 1423 CA ILE A 92 0.237 9.214 -22.886 1.00 0.00 C ATOM 1424 C ILE A 92 0.611 10.475 -23.658 1.00 0.00 C ATOM 1425 O ILE A 92 -0.107 11.475 -23.622 1.00 0.00 O ATOM 1426 CB ILE A 92 0.989 9.207 -21.542 1.00 0.00 C ATOM 1427 CG1 ILE A 92 0.586 7.985 -20.714 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.711 10.490 -20.772 1.00 0.00 C ATOM 1429 CD1 ILE A 92 1.625 7.578 -19.692 1.00 0.00 C ATOM 0 H ILE A 92 1.131 7.343 -23.194 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.836 9.214 -22.693 1.00 0.00 H new ATOM 0 HB ILE A 92 2.059 9.151 -21.742 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.352 8.197 -20.202 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.400 7.147 -21.385 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.250 10.470 -19.825 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.043 11.346 -21.360 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.359 10.574 -20.580 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.272 6.705 -19.142 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.558 7.334 -20.199 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.794 8.401 -18.997 1.00 0.00 H new ATOM 1441 N LYS A 93 1.738 10.420 -24.358 1.00 0.00 N ATOM 1442 CA LYS A 93 2.208 11.556 -25.143 1.00 0.00 C ATOM 1443 C LYS A 93 1.260 11.845 -26.302 1.00 0.00 C ATOM 1444 O LYS A 93 0.898 12.995 -26.548 1.00 0.00 O ATOM 1445 CB LYS A 93 3.616 11.286 -25.677 1.00 0.00 C ATOM 1446 CG LYS A 93 4.213 12.457 -26.439 1.00 0.00 C ATOM 1447 CD LYS A 93 5.731 12.384 -26.473 1.00 0.00 C ATOM 1448 CE LYS A 93 6.218 11.388 -27.513 1.00 0.00 C ATOM 1449 NZ LYS A 93 6.314 10.009 -26.959 1.00 0.00 N ATOM 0 H LYS A 93 2.344 9.600 -24.398 1.00 0.00 H new ATOM 0 HA LYS A 93 2.235 12.430 -24.492 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.270 11.035 -24.842 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.586 10.415 -26.331 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.825 12.465 -27.458 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.903 13.392 -25.972 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.139 13.370 -26.694 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.105 12.097 -25.490 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.538 11.391 -28.365 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.195 11.699 -27.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.304 9.693 -26.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.975 10.006 -25.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.730 9.364 -27.529 1.00 0.00 H new ATOM 1463 N ALA A 94 0.861 10.794 -27.011 1.00 0.00 N ATOM 1464 CA ALA A 94 -0.047 10.936 -28.142 1.00 0.00 C ATOM 1465 C ALA A 94 -1.391 11.504 -27.699 1.00 0.00 C ATOM 1466 O ALA A 94 -1.895 12.464 -28.285 1.00 0.00 O ATOM 1467 CB ALA A 94 -0.242 9.594 -28.834 1.00 0.00 C ATOM 0 H ALA A 94 1.152 9.835 -26.822 1.00 0.00 H new ATOM 0 HA ALA A 94 0.399 11.636 -28.849 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.922 9.715 -29.677 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.719 9.227 -29.193 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.663 8.878 -28.128 1.00 0.00 H new ATOM 1473 N THR A 95 -1.968 10.907 -26.662 1.00 0.00 N ATOM 1474 CA THR A 95 -3.254 11.353 -26.141 1.00 0.00 C ATOM 1475 C THR A 95 -3.191 12.808 -25.691 1.00 0.00 C ATOM 1476 O THR A 95 -4.037 13.620 -26.064 1.00 0.00 O ATOM 1477 CB THR A 95 -3.715 10.481 -24.958 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.694 9.098 -25.331 1.00 0.00 O ATOM 1479 CG2 THR A 95 -5.116 10.870 -24.512 1.00 0.00 C ATOM 0 H THR A 95 -1.565 10.112 -26.166 1.00 0.00 H new ATOM 0 HA THR A 95 -3.973 11.258 -26.954 1.00 0.00 H new ATOM 0 HB THR A 95 -3.029 10.643 -24.127 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.768 8.778 -25.348 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.420 10.240 -23.676 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.122 11.915 -24.201 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.812 10.734 -25.340 1.00 0.00 H new ATOM 1487 N ALA A 96 -2.182 13.131 -24.888 1.00 0.00 N ATOM 1488 CA ALA A 96 -2.007 14.489 -24.390 1.00 0.00 C ATOM 1489 C ALA A 96 -1.825 15.476 -25.538 1.00 0.00 C ATOM 1490 O ALA A 96 -2.319 16.602 -25.485 1.00 0.00 O ATOM 1491 CB ALA A 96 -0.819 14.554 -23.442 1.00 0.00 C ATOM 0 H ALA A 96 -1.474 12.470 -24.569 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.909 14.769 -23.845 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.700 15.574 -23.077 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.990 13.885 -22.599 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.085 14.249 -23.970 1.00 0.00 H new ATOM 1497 N GLU A 97 -1.112 15.046 -26.574 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.864 15.894 -27.734 1.00 0.00 C ATOM 1499 C GLU A 97 -2.151 16.132 -28.520 1.00 0.00 C ATOM 1500 O GLU A 97 -2.375 17.219 -29.053 1.00 0.00 O ATOM 1501 CB GLU A 97 0.190 15.258 -28.643 1.00 0.00 C ATOM 1502 CG GLU A 97 0.913 16.258 -29.530 1.00 0.00 C ATOM 1503 CD GLU A 97 0.203 16.487 -30.850 1.00 0.00 C ATOM 1504 OE1 GLU A 97 -0.879 15.896 -31.051 1.00 0.00 O ATOM 1505 OE2 GLU A 97 0.729 17.255 -31.682 1.00 0.00 O ATOM 0 H GLU A 97 -0.696 14.116 -26.634 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.494 16.855 -27.376 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.922 14.736 -28.027 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.290 14.508 -29.272 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.005 17.207 -29.002 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.925 15.902 -29.723 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.994 15.107 -28.587 1.00 0.00 N ATOM 1513 CA LYS A 98 -4.259 15.202 -29.306 1.00 0.00 C ATOM 1514 C LYS A 98 -5.170 16.245 -28.667 1.00 0.00 C ATOM 1515 O LYS A 98 -5.949 16.906 -29.353 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.960 13.842 -29.328 1.00 0.00 C ATOM 1517 CG LYS A 98 -4.206 12.781 -30.111 1.00 0.00 C ATOM 1518 CD LYS A 98 -4.707 12.683 -31.542 1.00 0.00 C ATOM 1519 CE LYS A 98 -3.698 11.983 -32.439 1.00 0.00 C ATOM 1520 NZ LYS A 98 -2.502 12.832 -32.697 1.00 0.00 N ATOM 0 H LYS A 98 -2.824 14.200 -28.152 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.045 15.510 -30.329 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.097 13.497 -28.303 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.954 13.962 -29.759 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.142 13.016 -30.112 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.318 11.815 -29.618 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.651 12.139 -31.561 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.907 13.683 -31.928 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.386 11.048 -31.974 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.172 11.725 -33.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.975 12.451 -33.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.805 13.804 -32.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.890 12.834 -31.856 1.00 0.00 H new ATOM 1534 N PHE A 99 -5.066 16.388 -27.350 1.00 0.00 N ATOM 1535 CA PHE A 99 -5.881 17.352 -26.619 1.00 0.00 C ATOM 1536 C PHE A 99 -5.676 18.762 -27.165 1.00 0.00 C ATOM 1537 O PHE A 99 -6.537 19.629 -27.016 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.538 17.315 -25.128 1.00 0.00 C ATOM 1539 CG PHE A 99 -6.486 16.480 -24.316 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -7.645 17.032 -23.795 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -6.219 15.142 -24.074 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -8.519 16.266 -23.047 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -7.089 14.371 -23.326 1.00 0.00 C ATOM 1544 CZ PHE A 99 -8.241 14.933 -22.813 1.00 0.00 C ATOM 0 H PHE A 99 -4.426 15.849 -26.767 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.928 17.079 -26.751 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.527 16.926 -25.005 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.537 18.333 -24.738 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.868 18.073 -23.976 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.321 14.696 -24.475 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -9.419 16.709 -22.646 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.868 13.330 -23.143 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.923 14.332 -22.230 1.00 0.00 H new ATOM 1554 N LYS A 100 -4.529 18.984 -27.797 1.00 0.00 N ATOM 1555 CA LYS A 100 -4.208 20.287 -28.367 1.00 0.00 C ATOM 1556 C LYS A 100 -5.347 20.791 -29.248 1.00 0.00 C ATOM 1557 O LYS A 100 -5.569 21.996 -29.363 1.00 0.00 O ATOM 1558 CB LYS A 100 -2.915 20.207 -29.181 1.00 0.00 C ATOM 1559 CG LYS A 100 -1.674 19.989 -28.333 1.00 0.00 C ATOM 1560 CD LYS A 100 -0.423 19.893 -29.190 1.00 0.00 C ATOM 1561 CE LYS A 100 0.799 20.420 -28.453 1.00 0.00 C ATOM 1562 NZ LYS A 100 2.064 19.872 -29.014 1.00 0.00 N ATOM 0 H LYS A 100 -3.805 18.277 -27.928 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.069 20.990 -27.546 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.999 19.394 -29.902 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.797 21.128 -29.752 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.568 20.810 -27.624 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.787 19.076 -27.749 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.256 18.855 -29.477 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.567 20.459 -30.110 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.817 21.508 -28.512 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.727 20.159 -27.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.855 20.501 -28.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.237 18.926 -28.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.985 19.806 -30.049 1.00 0.00 H new ATOM 1576 N ASN A 101 -6.066 19.860 -29.867 1.00 0.00 N ATOM 1577 CA ASN A 101 -7.182 20.211 -30.738 1.00 0.00 C ATOM 1578 C ASN A 101 -8.151 21.152 -30.028 1.00 0.00 C ATOM 1579 O ASN A 101 -8.713 22.060 -30.641 1.00 0.00 O ATOM 1580 CB ASN A 101 -7.920 18.948 -31.189 1.00 0.00 C ATOM 1581 CG ASN A 101 -7.206 18.235 -32.321 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -6.479 18.854 -33.099 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -7.410 16.927 -32.419 1.00 0.00 N ATOM 0 H ASN A 101 -5.896 18.858 -29.782 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.781 20.723 -31.613 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -8.023 18.269 -30.343 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -8.928 19.214 -31.509 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -6.956 16.394 -33.161 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -8.021 16.455 -31.752 1.00 0.00 H new ATOM 1590 N LYS A 102 -8.340 20.931 -28.732 1.00 0.00 N ATOM 1591 CA LYS A 102 -9.238 21.760 -27.937 1.00 0.00 C ATOM 1592 C LYS A 102 -8.528 22.299 -26.699 1.00 0.00 C ATOM 1593 O LYS A 102 -9.164 22.609 -25.693 1.00 0.00 O ATOM 1594 CB LYS A 102 -10.472 20.956 -27.520 1.00 0.00 C ATOM 1595 CG LYS A 102 -10.186 19.910 -26.457 1.00 0.00 C ATOM 1596 CD LYS A 102 -11.412 19.061 -26.166 1.00 0.00 C ATOM 1597 CE LYS A 102 -12.458 19.841 -25.384 1.00 0.00 C ATOM 1598 NZ LYS A 102 -12.174 19.837 -23.922 1.00 0.00 N ATOM 0 H LYS A 102 -7.883 20.184 -28.209 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.552 22.604 -28.551 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.233 21.642 -27.148 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.889 20.464 -28.399 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.368 19.269 -26.787 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.857 20.401 -25.541 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.844 18.710 -27.103 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.118 18.177 -25.600 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.490 20.869 -25.745 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.443 19.409 -25.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.004 19.478 -23.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.356 19.224 -23.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.963 20.805 -23.607 1.00 0.00 H new ATOM 1612 N GLY A 103 -7.206 22.409 -26.782 1.00 0.00 N ATOM 1613 CA GLY A 103 -6.432 22.913 -25.662 1.00 0.00 C ATOM 1614 C GLY A 103 -4.952 23.010 -25.977 1.00 0.00 C ATOM 1615 O GLY A 103 -4.167 22.149 -25.578 1.00 0.00 O ATOM 0 H GLY A 103 -6.657 22.158 -27.604 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.806 23.897 -25.380 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.575 22.259 -24.802 1.00 0.00 H new ATOM 1619 N PHE A 104 -4.570 24.060 -26.696 1.00 0.00 N ATOM 1620 CA PHE A 104 -3.174 24.265 -27.067 1.00 0.00 C ATOM 1621 C PHE A 104 -2.268 24.184 -25.842 1.00 0.00 C ATOM 1622 O PHE A 104 -1.106 23.789 -25.939 1.00 0.00 O ATOM 1623 CB PHE A 104 -3.001 25.622 -27.754 1.00 0.00 C ATOM 1624 CG PHE A 104 -3.827 25.772 -29.000 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -3.387 25.248 -30.205 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -5.042 26.437 -28.966 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -4.145 25.385 -31.353 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -5.804 26.577 -30.111 1.00 0.00 C ATOM 1629 CZ PHE A 104 -5.355 26.050 -31.306 1.00 0.00 C ATOM 0 H PHE A 104 -5.207 24.782 -27.033 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.889 23.474 -27.761 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.269 26.412 -27.053 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.950 25.762 -28.005 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.442 24.727 -30.248 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.398 26.851 -28.034 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -3.791 24.972 -32.286 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.749 27.098 -30.071 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.949 26.158 -32.202 1.00 0.00 H new ATOM 1639 N LYS A 105 -2.808 24.562 -24.688 1.00 0.00 N ATOM 1640 CA LYS A 105 -2.051 24.533 -23.442 1.00 0.00 C ATOM 1641 C LYS A 105 -1.853 23.099 -22.960 1.00 0.00 C ATOM 1642 O LYS A 105 -2.540 22.640 -22.047 1.00 0.00 O ATOM 1643 CB LYS A 105 -2.769 25.350 -22.366 1.00 0.00 C ATOM 1644 CG LYS A 105 -1.837 25.909 -21.304 1.00 0.00 C ATOM 1645 CD LYS A 105 -1.351 27.302 -21.667 1.00 0.00 C ATOM 1646 CE LYS A 105 -0.481 27.892 -20.567 1.00 0.00 C ATOM 1647 NZ LYS A 105 0.611 26.962 -20.165 1.00 0.00 N ATOM 0 H LYS A 105 -3.768 24.892 -24.590 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.072 24.973 -23.630 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.300 26.174 -22.842 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.519 24.722 -21.885 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.354 25.941 -20.345 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -0.982 25.244 -21.183 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.785 27.260 -22.597 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -2.207 27.953 -21.844 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.049 28.832 -20.910 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.099 28.123 -19.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 1.305 27.473 -19.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 0.212 26.174 -19.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 1.080 26.589 -21.015 1.00 0.00 H new ATOM 1661 N VAL A 106 -0.909 22.397 -23.578 1.00 0.00 N ATOM 1662 CA VAL A 106 -0.619 21.016 -23.209 1.00 0.00 C ATOM 1663 C VAL A 106 0.765 20.894 -22.581 1.00 0.00 C ATOM 1664 O VAL A 106 1.755 21.365 -23.141 1.00 0.00 O ATOM 1665 CB VAL A 106 -0.701 20.080 -24.430 1.00 0.00 C ATOM 1666 CG1 VAL A 106 -0.449 18.639 -24.016 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -2.051 20.218 -25.116 1.00 0.00 C ATOM 0 H VAL A 106 -0.332 22.761 -24.336 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.373 20.718 -22.480 1.00 0.00 H new ATOM 0 HB VAL A 106 0.073 20.369 -25.141 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.511 17.993 -24.892 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.544 18.556 -23.573 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.199 18.334 -23.286 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -2.092 19.550 -25.976 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.844 19.956 -24.415 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.186 21.247 -25.449 1.00 0.00 H new ATOM 1677 N GLU A 107 0.826 20.258 -21.416 1.00 0.00 N ATOM 1678 CA GLU A 107 2.090 20.074 -20.711 1.00 0.00 C ATOM 1679 C GLU A 107 2.189 18.667 -20.129 1.00 0.00 C ATOM 1680 O GLU A 107 1.466 18.316 -19.196 1.00 0.00 O ATOM 1681 CB GLU A 107 2.232 21.111 -19.595 1.00 0.00 C ATOM 1682 CG GLU A 107 2.222 22.547 -20.093 1.00 0.00 C ATOM 1683 CD GLU A 107 2.438 23.552 -18.979 1.00 0.00 C ATOM 1684 OE1 GLU A 107 1.896 23.338 -17.875 1.00 0.00 O ATOM 1685 OE2 GLU A 107 3.149 24.552 -19.211 1.00 0.00 O ATOM 0 H GLU A 107 0.016 19.861 -20.940 1.00 0.00 H new ATOM 0 HA GLU A 107 2.900 20.209 -21.428 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.419 20.977 -18.881 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.162 20.928 -19.057 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.000 22.672 -20.846 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.270 22.751 -20.582 1.00 0.00 H new ATOM 1692 N THR A 108 3.089 17.864 -20.687 1.00 0.00 N ATOM 1693 CA THR A 108 3.282 16.495 -20.226 1.00 0.00 C ATOM 1694 C THR A 108 4.614 16.342 -19.500 1.00 0.00 C ATOM 1695 O THR A 108 5.674 16.617 -20.063 1.00 0.00 O ATOM 1696 CB THR A 108 3.231 15.495 -21.397 1.00 0.00 C ATOM 1697 OG1 THR A 108 4.325 15.730 -22.290 1.00 0.00 O ATOM 1698 CG2 THR A 108 1.917 15.614 -22.154 1.00 0.00 C ATOM 0 H THR A 108 3.696 18.138 -21.459 1.00 0.00 H new ATOM 0 HA THR A 108 2.467 16.276 -19.536 1.00 0.00 H new ATOM 0 HB THR A 108 3.306 14.487 -20.988 1.00 0.00 H new ATOM 0 HG1 THR A 108 5.072 16.126 -21.795 1.00 0.00 H new ATOM 0 HG21 THR A 108 1.905 14.898 -22.976 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.088 15.405 -21.478 1.00 0.00 H new ATOM 0 HG23 THR A 108 1.816 16.624 -22.551 1.00 0.00 H new ATOM 1706 N ASP A 109 4.552 15.903 -18.248 1.00 0.00 N ATOM 1707 CA ASP A 109 5.754 15.712 -17.444 1.00 0.00 C ATOM 1708 C ASP A 109 6.407 14.368 -17.754 1.00 0.00 C ATOM 1709 O ASP A 109 5.778 13.479 -18.327 1.00 0.00 O ATOM 1710 CB ASP A 109 5.417 15.799 -15.955 1.00 0.00 C ATOM 1711 CG ASP A 109 6.577 16.317 -15.128 1.00 0.00 C ATOM 1712 OD1 ASP A 109 7.442 15.503 -14.742 1.00 0.00 O ATOM 1713 OD2 ASP A 109 6.621 17.538 -14.868 1.00 0.00 O ATOM 0 H ASP A 109 3.682 15.673 -17.767 1.00 0.00 H new ATOM 0 HA ASP A 109 6.459 16.504 -17.695 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.556 16.453 -15.818 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.128 14.812 -15.593 1.00 0.00 H new ATOM 1718 N MET A 110 7.671 14.228 -17.370 1.00 0.00 N ATOM 1719 CA MET A 110 8.409 12.992 -17.607 1.00 0.00 C ATOM 1720 C MET A 110 7.831 11.848 -16.780 1.00 0.00 C ATOM 1721 O MET A 110 7.182 10.948 -17.315 1.00 0.00 O ATOM 1722 CB MET A 110 9.889 13.184 -17.270 1.00 0.00 C ATOM 1723 CG MET A 110 10.595 14.177 -18.178 1.00 0.00 C ATOM 1724 SD MET A 110 12.164 14.747 -17.497 1.00 0.00 S ATOM 1725 CE MET A 110 11.598 15.980 -16.328 1.00 0.00 C ATOM 0 H MET A 110 8.206 14.954 -16.894 1.00 0.00 H new ATOM 0 HA MET A 110 8.315 12.738 -18.663 1.00 0.00 H new ATOM 0 HB2 MET A 110 9.977 13.522 -16.237 1.00 0.00 H new ATOM 0 HB3 MET A 110 10.396 12.221 -17.335 1.00 0.00 H new ATOM 0 HG2 MET A 110 10.772 13.714 -19.149 1.00 0.00 H new ATOM 0 HG3 MET A 110 9.944 15.035 -18.348 1.00 0.00 H new ATOM 0 HE1 MET A 110 12.074 16.936 -16.548 1.00 0.00 H new ATOM 0 HE2 MET A 110 10.516 16.087 -16.407 1.00 0.00 H new ATOM 0 HE3 MET A 110 11.859 15.669 -15.316 1.00 0.00 H new TER 1735 MET A 110