USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=26 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 93 LYS NZ :NH3+ -167:sc= -0.0635 (180deg=-0.242) USER MOD Set 1.2: A 108 THR OG1 : rot 140:sc=-0.00277 USER MOD Set 2.1: A 11 MET CE :methyl 162:sc= 0 (180deg=-0.283) USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.102 (180deg=-0.519) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 CYS SG : rot 121:sc= 0.407 USER MOD Single : A 7 TYR OH : rot 112:sc= 1.65 USER MOD Single : A 8 ASN : amide:sc=-0.000277 K(o=-0.00028,f=-0.91) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.782 K(o=-0.78,f=-2.3) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 40:sc= -2.95! USER MOD Single : A 31 SER OG : rot -75:sc= 1.04 USER MOD Single : A 34 TYR OH : rot 15:sc= -0.645 USER MOD Single : A 40 ASN : amide:sc= -0.018 K(o=-0.018,f=-1.8) USER MOD Single : A 45 MET CE :methyl -121:sc= -0.0581 (180deg=-1.79!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 87:sc= 0.0692 USER MOD Single : A 55 THR OG1 : rot -15:sc= 0.688 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 71 ASN : amide:sc= -1.03 K(o=-1,f=-3.1!) USER MOD Single : A 74 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0236) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -169:sc= -6.38! (180deg=-7.49!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -129:sc= 0.0427 USER MOD Single : A 82 SER OG : rot 180:sc= 0.105 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.17) 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 95 THR OG1 : rot 76:sc= 0.179 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0.23 X(o=0.23,f=-0.018) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 0.00 C ATOM 3 C MET A 1 1.196 0.328 -2.432 1.00 0.00 C ATOM 4 O MET A 1 1.466 -0.087 -3.560 1.00 0.00 O ATOM 5 CB MET A 1 2.762 -1.360 -1.454 1.00 0.00 C ATOM 6 CG MET A 1 1.777 -2.514 -1.553 1.00 0.00 C ATOM 7 SD MET A 1 2.594 -4.110 -1.741 1.00 0.00 S ATOM 8 CE MET A 1 1.290 -5.069 -2.509 1.00 0.00 C ATOM 0 H1 MET A 1 1.895 -0.435 0.756 1.00 0.00 H new ATOM 0 H2 MET A 1 1.094 0.979 0.262 1.00 0.00 H new ATOM 0 H3 MET A 1 0.452 -0.543 -0.132 1.00 0.00 H new ATOM 0 HA MET A 1 2.863 0.767 -1.166 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.359 -1.324 -2.365 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.450 -1.550 -0.630 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.154 -2.532 -0.659 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.113 -2.348 -2.401 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.643 -6.084 -2.689 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.423 -5.098 -1.849 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.010 -4.609 -3.456 1.00 0.00 H new ATOM 18 N THR A 2 0.128 1.076 -2.173 1.00 0.00 N ATOM 19 CA THR A 2 -0.809 1.459 -3.222 1.00 0.00 C ATOM 20 C THR A 2 -0.483 2.844 -3.771 1.00 0.00 C ATOM 21 O THR A 2 -0.168 3.764 -3.015 1.00 0.00 O ATOM 22 CB THR A 2 -2.261 1.451 -2.709 1.00 0.00 C ATOM 23 OG1 THR A 2 -2.569 0.178 -2.131 1.00 0.00 O ATOM 24 CG2 THR A 2 -3.236 1.751 -3.838 1.00 0.00 C ATOM 0 H THR A 2 -0.110 1.429 -1.246 1.00 0.00 H new ATOM 0 HA THR A 2 -0.710 0.722 -4.019 1.00 0.00 H new ATOM 0 HB THR A 2 -2.359 2.227 -1.950 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.493 0.182 -1.806 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.255 1.740 -3.451 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.017 2.734 -4.256 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.135 0.995 -4.616 1.00 0.00 H new ATOM 32 N LEU A 3 -0.562 2.986 -5.089 1.00 0.00 N ATOM 33 CA LEU A 3 -0.277 4.260 -5.740 1.00 0.00 C ATOM 34 C LEU A 3 -1.492 4.761 -6.514 1.00 0.00 C ATOM 35 O LEU A 3 -1.838 4.219 -7.564 1.00 0.00 O ATOM 36 CB LEU A 3 0.919 4.117 -6.684 1.00 0.00 C ATOM 37 CG LEU A 3 2.289 4.432 -6.083 1.00 0.00 C ATOM 38 CD1 LEU A 3 3.391 3.755 -6.883 1.00 0.00 C ATOM 39 CD2 LEU A 3 2.514 5.936 -6.028 1.00 0.00 C ATOM 0 H LEU A 3 -0.821 2.235 -5.728 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.037 4.989 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.937 3.095 -7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.761 4.772 -7.541 1.00 0.00 H new ATOM 0 HG LEU A 3 2.316 4.043 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.359 3.990 -6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.239 2.676 -6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.366 4.113 -7.912 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.494 6.142 -5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.467 6.348 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.743 6.397 -5.411 1.00 0.00 H new ATOM 51 N CYS A 4 -2.135 5.798 -5.988 1.00 0.00 N ATOM 52 CA CYS A 4 -3.311 6.373 -6.630 1.00 0.00 C ATOM 53 C CYS A 4 -2.969 7.696 -7.308 1.00 0.00 C ATOM 54 O CYS A 4 -2.007 8.367 -6.933 1.00 0.00 O ATOM 55 CB CYS A 4 -4.425 6.585 -5.604 1.00 0.00 C ATOM 56 SG CYS A 4 -5.133 5.053 -4.955 1.00 0.00 S ATOM 0 H CYS A 4 -1.862 6.257 -5.119 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.656 5.674 -7.392 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -4.032 7.171 -4.773 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -5.219 7.174 -6.063 1.00 0.00 H new ATOM 0 HG CYS A 4 -4.989 5.022 -3.663 1.00 0.00 H new ATOM 62 N ALA A 5 -3.762 8.065 -8.309 1.00 0.00 N ATOM 63 CA ALA A 5 -3.543 9.308 -9.039 1.00 0.00 C ATOM 64 C ALA A 5 -4.761 10.220 -8.946 1.00 0.00 C ATOM 65 O ALA A 5 -5.889 9.752 -8.801 1.00 0.00 O ATOM 66 CB ALA A 5 -3.210 9.013 -10.494 1.00 0.00 C ATOM 0 H ALA A 5 -4.562 7.521 -8.633 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.699 9.826 -8.583 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.049 9.950 -11.028 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.306 8.406 -10.545 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.036 8.471 -10.954 1.00 0.00 H new ATOM 72 N MET A 6 -4.524 11.526 -9.030 1.00 0.00 N ATOM 73 CA MET A 6 -5.603 12.504 -8.957 1.00 0.00 C ATOM 74 C MET A 6 -5.869 13.124 -10.325 1.00 0.00 C ATOM 75 O MET A 6 -5.073 13.922 -10.821 1.00 0.00 O ATOM 76 CB MET A 6 -5.259 13.599 -7.945 1.00 0.00 C ATOM 77 CG MET A 6 -5.317 13.132 -6.500 1.00 0.00 C ATOM 78 SD MET A 6 -6.995 13.124 -5.840 1.00 0.00 S ATOM 79 CE MET A 6 -6.992 11.584 -4.925 1.00 0.00 C ATOM 0 H MET A 6 -3.595 11.930 -9.149 1.00 0.00 H new ATOM 0 HA MET A 6 -6.506 11.988 -8.631 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.258 13.976 -8.156 1.00 0.00 H new ATOM 0 HB3 MET A 6 -5.948 14.433 -8.076 1.00 0.00 H new ATOM 0 HG2 MET A 6 -4.898 12.128 -6.430 1.00 0.00 H new ATOM 0 HG3 MET A 6 -4.693 13.782 -5.887 1.00 0.00 H new ATOM 0 HE1 MET A 6 -7.965 11.437 -4.457 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.787 10.757 -5.605 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.221 11.620 -4.155 1.00 0.00 H new ATOM 89 N TYR A 7 -6.992 12.752 -10.929 1.00 0.00 N ATOM 90 CA TYR A 7 -7.361 13.270 -12.241 1.00 0.00 C ATOM 91 C TYR A 7 -8.393 14.387 -12.115 1.00 0.00 C ATOM 92 O TYR A 7 -9.562 14.137 -11.826 1.00 0.00 O ATOM 93 CB TYR A 7 -7.914 12.146 -13.119 1.00 0.00 C ATOM 94 CG TYR A 7 -7.705 12.376 -14.599 1.00 0.00 C ATOM 95 CD1 TYR A 7 -8.166 13.534 -15.214 1.00 0.00 C ATOM 96 CD2 TYR A 7 -7.049 11.435 -15.382 1.00 0.00 C ATOM 97 CE1 TYR A 7 -7.979 13.747 -16.566 1.00 0.00 C ATOM 98 CE2 TYR A 7 -6.855 11.641 -16.735 1.00 0.00 C ATOM 99 CZ TYR A 7 -7.322 12.799 -17.322 1.00 0.00 C ATOM 100 OH TYR A 7 -7.133 13.007 -18.669 1.00 0.00 O ATOM 0 H TYR A 7 -7.662 12.094 -10.531 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.465 13.679 -12.708 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.439 11.207 -12.835 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.981 12.035 -12.924 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.679 14.280 -14.625 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.684 10.527 -14.926 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.345 14.651 -17.029 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.341 10.900 -17.329 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.178 13.131 -18.850 1.00 0.00 H new ATOM 110 N ASN A 8 -7.950 15.621 -12.336 1.00 0.00 N ATOM 111 CA ASN A 8 -8.834 16.777 -12.248 1.00 0.00 C ATOM 112 C ASN A 8 -9.435 17.108 -13.611 1.00 0.00 C ATOM 113 O ASN A 8 -8.711 17.359 -14.575 1.00 0.00 O ATOM 114 CB ASN A 8 -8.071 17.988 -11.707 1.00 0.00 C ATOM 115 CG ASN A 8 -8.985 19.160 -11.406 1.00 0.00 C ATOM 116 OD1 ASN A 8 -10.161 18.979 -11.092 1.00 0.00 O ATOM 117 ND2 ASN A 8 -8.447 20.370 -11.502 1.00 0.00 N ATOM 0 H ASN A 8 -6.985 15.845 -12.577 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.646 16.531 -11.563 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.539 17.703 -10.799 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.319 18.295 -12.434 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.014 21.197 -11.312 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.467 20.473 -11.766 1.00 0.00 H new ATOM 124 N ILE A 9 -10.761 17.105 -13.683 1.00 0.00 N ATOM 125 CA ILE A 9 -11.459 17.407 -14.926 1.00 0.00 C ATOM 126 C ILE A 9 -12.583 18.412 -14.697 1.00 0.00 C ATOM 127 O ILE A 9 -13.408 18.242 -13.799 1.00 0.00 O ATOM 128 CB ILE A 9 -12.047 16.134 -15.565 1.00 0.00 C ATOM 129 CG1 ILE A 9 -12.689 16.464 -16.914 1.00 0.00 C ATOM 130 CG2 ILE A 9 -13.063 15.494 -14.631 1.00 0.00 C ATOM 131 CD1 ILE A 9 -13.280 15.259 -17.612 1.00 0.00 C ATOM 0 H ILE A 9 -11.374 16.897 -12.895 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.722 17.838 -15.604 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.238 15.423 -15.733 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.472 17.207 -16.763 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.940 16.918 -17.562 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.470 14.596 -15.096 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.577 15.228 -13.692 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.871 16.199 -14.435 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.718 15.567 -18.562 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.496 14.524 -17.795 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.052 14.817 -16.983 1.00 0.00 H new ATOM 143 N SER A 10 -12.609 19.459 -15.515 1.00 0.00 N ATOM 144 CA SER A 10 -13.630 20.493 -15.400 1.00 0.00 C ATOM 145 C SER A 10 -14.204 20.844 -16.770 1.00 0.00 C ATOM 146 O SER A 10 -13.710 21.741 -17.451 1.00 0.00 O ATOM 147 CB SER A 10 -13.046 21.746 -14.744 1.00 0.00 C ATOM 148 OG SER A 10 -14.064 22.682 -14.435 1.00 0.00 O ATOM 0 H SER A 10 -11.935 19.614 -16.265 1.00 0.00 H new ATOM 0 HA SER A 10 -14.435 20.106 -14.775 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.514 21.469 -13.834 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.317 22.204 -15.413 1.00 0.00 H new ATOM 0 HG SER A 10 -13.665 23.473 -14.016 1.00 0.00 H new ATOM 154 N MET A 11 -15.252 20.129 -17.165 1.00 0.00 N ATOM 155 CA MET A 11 -15.896 20.364 -18.453 1.00 0.00 C ATOM 156 C MET A 11 -16.303 21.827 -18.597 1.00 0.00 C ATOM 157 O MET A 11 -16.186 22.610 -17.655 1.00 0.00 O ATOM 158 CB MET A 11 -17.123 19.463 -18.606 1.00 0.00 C ATOM 159 CG MET A 11 -17.414 19.073 -20.046 1.00 0.00 C ATOM 160 SD MET A 11 -18.147 17.432 -20.186 1.00 0.00 S ATOM 161 CE MET A 11 -19.616 17.798 -21.144 1.00 0.00 C ATOM 0 H MET A 11 -15.674 19.382 -16.612 1.00 0.00 H new ATOM 0 HA MET A 11 -15.180 20.125 -19.239 1.00 0.00 H new ATOM 0 HB2 MET A 11 -16.975 18.559 -18.016 1.00 0.00 H new ATOM 0 HB3 MET A 11 -17.993 19.974 -18.194 1.00 0.00 H new ATOM 0 HG2 MET A 11 -18.088 19.807 -20.488 1.00 0.00 H new ATOM 0 HG3 MET A 11 -16.488 19.104 -20.621 1.00 0.00 H new ATOM 0 HE1 MET A 11 -20.002 16.878 -21.583 1.00 0.00 H new ATOM 0 HE2 MET A 11 -20.374 18.236 -20.495 1.00 0.00 H new ATOM 0 HE3 MET A 11 -19.367 18.502 -21.938 1.00 0.00 H new ATOM 171 N ALA A 12 -16.781 22.189 -19.783 1.00 0.00 N ATOM 172 CA ALA A 12 -17.207 23.557 -20.050 1.00 0.00 C ATOM 173 C ALA A 12 -18.232 24.024 -19.021 1.00 0.00 C ATOM 174 O ALA A 12 -19.409 23.674 -19.100 1.00 0.00 O ATOM 175 CB ALA A 12 -17.780 23.667 -21.455 1.00 0.00 C ATOM 0 H ALA A 12 -16.883 21.554 -20.574 1.00 0.00 H new ATOM 0 HA ALA A 12 -16.333 24.204 -19.974 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -18.094 24.694 -21.640 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -17.019 23.383 -22.182 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -18.638 23.002 -21.551 1.00 0.00 H new ATOM 181 N GLY A 13 -17.776 24.815 -18.055 1.00 0.00 N ATOM 182 CA GLY A 13 -18.666 25.316 -17.024 1.00 0.00 C ATOM 183 C GLY A 13 -19.355 24.201 -16.262 1.00 0.00 C ATOM 184 O GLY A 13 -20.581 24.177 -16.157 1.00 0.00 O ATOM 0 H GLY A 13 -16.806 25.118 -17.968 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -18.099 25.932 -16.326 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -19.418 25.960 -17.479 1.00 0.00 H new ATOM 188 N SER A 14 -18.565 23.275 -15.728 1.00 0.00 N ATOM 189 CA SER A 14 -19.107 22.149 -14.977 1.00 0.00 C ATOM 190 C SER A 14 -18.381 21.985 -13.645 1.00 0.00 C ATOM 191 O SER A 14 -18.482 20.945 -12.993 1.00 0.00 O ATOM 192 CB SER A 14 -18.994 20.861 -15.794 1.00 0.00 C ATOM 193 OG SER A 14 -20.121 20.690 -16.636 1.00 0.00 O ATOM 0 H SER A 14 -17.548 23.282 -15.802 1.00 0.00 H new ATOM 0 HA SER A 14 -20.159 22.351 -14.776 1.00 0.00 H new ATOM 0 HB2 SER A 14 -18.086 20.888 -16.397 1.00 0.00 H new ATOM 0 HB3 SER A 14 -18.905 20.007 -15.122 1.00 0.00 H new ATOM 0 HG SER A 14 -20.023 19.861 -17.149 1.00 0.00 H new ATOM 199 N HIS A 15 -17.647 23.019 -13.247 1.00 0.00 N ATOM 200 CA HIS A 15 -16.903 22.992 -11.992 1.00 0.00 C ATOM 201 C HIS A 15 -15.844 21.894 -12.013 1.00 0.00 C ATOM 202 O HIS A 15 -15.903 20.956 -12.808 1.00 0.00 O ATOM 203 CB HIS A 15 -17.855 22.775 -10.815 1.00 0.00 C ATOM 204 CG HIS A 15 -18.243 24.042 -10.118 1.00 0.00 C ATOM 205 ND1 HIS A 15 -17.345 25.048 -9.829 1.00 0.00 N ATOM 206 CD2 HIS A 15 -19.442 24.465 -9.652 1.00 0.00 C ATOM 207 CE1 HIS A 15 -17.974 26.034 -9.215 1.00 0.00 C ATOM 208 NE2 HIS A 15 -19.248 25.705 -9.096 1.00 0.00 N ATOM 0 H HIS A 15 -17.551 23.886 -13.775 1.00 0.00 H new ATOM 0 HA HIS A 15 -16.403 23.953 -11.873 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -18.756 22.277 -11.174 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -17.384 22.104 -10.096 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -20.377 23.927 -9.707 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -17.524 26.953 -8.869 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -19.970 26.279 -8.661 1.00 0.00 H new ATOM 216 N PRO A 16 -14.849 22.014 -11.121 1.00 0.00 N ATOM 217 CA PRO A 16 -13.757 21.041 -11.017 1.00 0.00 C ATOM 218 C PRO A 16 -14.226 19.700 -10.463 1.00 0.00 C ATOM 219 O PRO A 16 -14.972 19.647 -9.485 1.00 0.00 O ATOM 220 CB PRO A 16 -12.779 21.708 -10.048 1.00 0.00 C ATOM 221 CG PRO A 16 -13.622 22.626 -9.230 1.00 0.00 C ATOM 222 CD PRO A 16 -14.715 23.107 -10.144 1.00 0.00 C ATOM 0 HA PRO A 16 -13.323 20.810 -11.990 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.276 20.970 -9.423 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.003 22.255 -10.583 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -14.036 22.109 -8.365 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.034 23.462 -8.851 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.645 23.278 -9.602 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.450 24.047 -10.627 1.00 0.00 H new ATOM 230 N THR A 17 -13.783 18.617 -11.094 1.00 0.00 N ATOM 231 CA THR A 17 -14.158 17.276 -10.664 1.00 0.00 C ATOM 232 C THR A 17 -12.926 16.437 -10.343 1.00 0.00 C ATOM 233 O THR A 17 -12.129 16.121 -11.228 1.00 0.00 O ATOM 234 CB THR A 17 -14.991 16.553 -11.739 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.209 17.268 -11.977 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.309 15.129 -11.311 1.00 0.00 C ATOM 0 H THR A 17 -13.164 18.643 -11.904 1.00 0.00 H new ATOM 0 HA THR A 17 -14.762 17.390 -9.764 1.00 0.00 H new ATOM 0 HB THR A 17 -14.405 16.517 -12.657 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.732 16.803 -12.663 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.898 14.639 -12.086 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.380 14.579 -11.159 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.877 15.147 -10.381 1.00 0.00 H new ATOM 244 N THR A 18 -12.774 16.077 -9.072 1.00 0.00 N ATOM 245 CA THR A 18 -11.639 15.275 -8.635 1.00 0.00 C ATOM 246 C THR A 18 -11.910 13.788 -8.830 1.00 0.00 C ATOM 247 O THR A 18 -12.692 13.188 -8.092 1.00 0.00 O ATOM 248 CB THR A 18 -11.305 15.535 -7.154 1.00 0.00 C ATOM 249 OG1 THR A 18 -11.317 16.942 -6.889 1.00 0.00 O ATOM 250 CG2 THR A 18 -9.943 14.959 -6.798 1.00 0.00 C ATOM 0 H THR A 18 -13.424 16.329 -8.327 1.00 0.00 H new ATOM 0 HA THR A 18 -10.788 15.570 -9.249 1.00 0.00 H new ATOM 0 HB THR A 18 -12.061 15.044 -6.542 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.105 17.099 -5.945 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.729 15.155 -5.747 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.946 13.883 -6.974 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.177 15.426 -7.418 1.00 0.00 H new ATOM 258 N ILE A 19 -11.257 13.198 -9.826 1.00 0.00 N ATOM 259 CA ILE A 19 -11.427 11.779 -10.115 1.00 0.00 C ATOM 260 C ILE A 19 -10.197 10.982 -9.695 1.00 0.00 C ATOM 261 O ILE A 19 -9.136 11.088 -10.311 1.00 0.00 O ATOM 262 CB ILE A 19 -11.694 11.538 -11.613 1.00 0.00 C ATOM 263 CG1 ILE A 19 -12.750 12.519 -12.129 1.00 0.00 C ATOM 264 CG2 ILE A 19 -12.138 10.102 -11.847 1.00 0.00 C ATOM 265 CD1 ILE A 19 -13.037 12.374 -13.607 1.00 0.00 C ATOM 0 H ILE A 19 -10.606 13.680 -10.446 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.290 11.441 -9.541 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.769 11.706 -12.164 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.675 12.372 -11.571 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.417 13.537 -11.930 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.323 9.947 -12.910 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.357 9.420 -11.511 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.053 9.908 -11.288 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.794 13.100 -13.904 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.123 12.551 -14.174 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.401 11.367 -13.810 1.00 0.00 H new ATOM 277 N CYS A 20 -10.347 10.183 -8.645 1.00 0.00 N ATOM 278 CA CYS A 20 -9.248 9.366 -8.142 1.00 0.00 C ATOM 279 C CYS A 20 -9.148 8.055 -8.916 1.00 0.00 C ATOM 280 O CYS A 20 -10.082 7.252 -8.921 1.00 0.00 O ATOM 281 CB CYS A 20 -9.438 9.080 -6.652 1.00 0.00 C ATOM 282 SG CYS A 20 -8.180 7.991 -5.943 1.00 0.00 S ATOM 0 H CYS A 20 -11.219 10.083 -8.125 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.321 9.921 -8.282 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.434 10.025 -6.108 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -10.419 8.630 -6.502 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.425 7.810 -4.679 1.00 0.00 H new ATOM 288 N VAL A 21 -8.010 7.845 -9.569 1.00 0.00 N ATOM 289 CA VAL A 21 -7.787 6.631 -10.346 1.00 0.00 C ATOM 290 C VAL A 21 -6.401 6.056 -10.082 1.00 0.00 C ATOM 291 O VAL A 21 -5.403 6.777 -10.099 1.00 0.00 O ATOM 292 CB VAL A 21 -7.942 6.896 -11.856 1.00 0.00 C ATOM 293 CG1 VAL A 21 -7.804 5.601 -12.642 1.00 0.00 C ATOM 294 CG2 VAL A 21 -9.277 7.565 -12.145 1.00 0.00 C ATOM 0 H VAL A 21 -7.228 8.500 -9.576 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.542 5.910 -10.031 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.147 7.572 -12.172 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.916 5.808 -13.706 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.821 5.167 -12.458 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.576 4.899 -12.325 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.370 7.745 -13.216 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.088 6.916 -11.814 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.331 8.514 -11.612 1.00 0.00 H new ATOM 304 N VAL A 22 -6.344 4.750 -9.836 1.00 0.00 N ATOM 305 CA VAL A 22 -5.079 4.076 -9.569 1.00 0.00 C ATOM 306 C VAL A 22 -4.091 4.291 -10.710 1.00 0.00 C ATOM 307 O VAL A 22 -4.485 4.432 -11.868 1.00 0.00 O ATOM 308 CB VAL A 22 -5.283 2.564 -9.358 1.00 0.00 C ATOM 309 CG1 VAL A 22 -3.994 1.913 -8.881 1.00 0.00 C ATOM 310 CG2 VAL A 22 -6.414 2.312 -8.373 1.00 0.00 C ATOM 0 H VAL A 22 -7.160 4.138 -9.816 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.674 4.511 -8.655 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.557 2.115 -10.313 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.157 0.845 -8.737 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.213 2.064 -9.626 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.687 2.363 -7.937 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.544 1.239 -8.236 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.172 2.774 -7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.337 2.743 -8.761 1.00 0.00 H new ATOM 320 N MET A 23 -2.805 4.313 -10.375 1.00 0.00 N ATOM 321 CA MET A 23 -1.759 4.508 -11.373 1.00 0.00 C ATOM 322 C MET A 23 -1.907 3.511 -12.518 1.00 0.00 C ATOM 323 O MET A 23 -1.598 3.822 -13.668 1.00 0.00 O ATOM 324 CB MET A 23 -0.379 4.364 -10.730 1.00 0.00 C ATOM 325 CG MET A 23 -0.028 2.932 -10.359 1.00 0.00 C ATOM 326 SD MET A 23 1.651 2.772 -9.720 1.00 0.00 S ATOM 327 CE MET A 23 2.039 1.092 -10.206 1.00 0.00 C ATOM 0 H MET A 23 -2.462 4.198 -9.421 1.00 0.00 H new ATOM 0 HA MET A 23 -1.860 5.515 -11.777 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.375 4.748 -11.417 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.338 4.983 -9.834 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.733 2.571 -9.610 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.141 2.295 -11.236 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.049 0.843 -9.880 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.329 0.406 -9.743 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.975 1.003 -11.290 1.00 0.00 H new ATOM 337 N ASP A 24 -2.380 2.313 -12.195 1.00 0.00 N ATOM 338 CA ASP A 24 -2.570 1.270 -13.197 1.00 0.00 C ATOM 339 C ASP A 24 -3.692 1.640 -14.161 1.00 0.00 C ATOM 340 O ASP A 24 -3.652 1.287 -15.340 1.00 0.00 O ATOM 341 CB ASP A 24 -2.882 -0.066 -12.521 1.00 0.00 C ATOM 342 CG ASP A 24 -4.355 -0.223 -12.200 1.00 0.00 C ATOM 343 OD1 ASP A 24 -5.136 -0.523 -13.128 1.00 0.00 O ATOM 344 OD2 ASP A 24 -4.728 -0.046 -11.022 1.00 0.00 O ATOM 0 H ASP A 24 -2.639 2.039 -11.247 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.645 1.174 -13.765 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.566 -0.881 -13.172 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.302 -0.149 -11.602 1.00 0.00 H new ATOM 349 N ARG A 25 -4.692 2.353 -13.652 1.00 0.00 N ATOM 350 CA ARG A 25 -5.826 2.769 -14.468 1.00 0.00 C ATOM 351 C ARG A 25 -5.655 4.210 -14.942 1.00 0.00 C ATOM 352 O ARG A 25 -6.597 4.825 -15.442 1.00 0.00 O ATOM 353 CB ARG A 25 -7.128 2.631 -13.678 1.00 0.00 C ATOM 354 CG ARG A 25 -7.759 1.252 -13.778 1.00 0.00 C ATOM 355 CD ARG A 25 -8.821 1.204 -14.866 1.00 0.00 C ATOM 356 NE ARG A 25 -9.728 0.072 -14.696 1.00 0.00 N ATOM 357 CZ ARG A 25 -10.839 -0.092 -15.404 1.00 0.00 C ATOM 358 NH1 ARG A 25 -11.179 0.797 -16.326 1.00 0.00 N ATOM 359 NH2 ARG A 25 -11.614 -1.149 -15.190 1.00 0.00 N ATOM 0 H ARG A 25 -4.740 2.654 -12.679 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.870 2.120 -15.343 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.932 2.856 -12.630 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.841 3.374 -14.036 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.987 0.512 -13.988 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.205 0.984 -12.820 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.393 2.132 -14.855 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.338 1.138 -15.841 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.495 -0.631 -13.995 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.586 1.610 -16.493 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.033 0.668 -16.868 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.356 -1.836 -14.481 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -12.467 -1.274 -15.734 1.00 0.00 H new ATOM 373 N PHE A 26 -4.448 4.741 -14.779 1.00 0.00 N ATOM 374 CA PHE A 26 -4.155 6.110 -15.189 1.00 0.00 C ATOM 375 C PHE A 26 -4.217 6.249 -16.707 1.00 0.00 C ATOM 376 O PHE A 26 -4.952 7.084 -17.235 1.00 0.00 O ATOM 377 CB PHE A 26 -2.773 6.530 -14.683 1.00 0.00 C ATOM 378 CG PHE A 26 -2.385 7.924 -15.088 1.00 0.00 C ATOM 379 CD1 PHE A 26 -1.788 8.163 -16.315 1.00 0.00 C ATOM 380 CD2 PHE A 26 -2.618 8.995 -14.240 1.00 0.00 C ATOM 381 CE1 PHE A 26 -1.430 9.444 -16.690 1.00 0.00 C ATOM 382 CE2 PHE A 26 -2.263 10.279 -14.610 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.667 10.503 -15.836 1.00 0.00 C ATOM 0 H PHE A 26 -3.658 4.245 -14.367 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.910 6.764 -14.752 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.756 6.458 -13.596 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.028 5.830 -15.061 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.600 7.338 -16.987 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.082 8.825 -13.280 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.966 9.617 -17.650 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.451 11.106 -13.941 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.387 11.505 -16.126 1.00 0.00 H new ATOM 393 N LEU A 27 -3.441 5.426 -17.403 1.00 0.00 N ATOM 394 CA LEU A 27 -3.407 5.456 -18.861 1.00 0.00 C ATOM 395 C LEU A 27 -4.805 5.271 -19.442 1.00 0.00 C ATOM 396 O LEU A 27 -5.211 5.996 -20.350 1.00 0.00 O ATOM 397 CB LEU A 27 -2.474 4.366 -19.392 1.00 0.00 C ATOM 398 CG LEU A 27 -2.304 4.309 -20.910 1.00 0.00 C ATOM 399 CD1 LEU A 27 -1.985 5.688 -21.464 1.00 0.00 C ATOM 400 CD2 LEU A 27 -1.216 3.315 -21.288 1.00 0.00 C ATOM 0 H LEU A 27 -2.827 4.729 -16.981 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.030 6.431 -19.171 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.491 4.506 -18.941 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.846 3.400 -19.052 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.243 3.973 -21.349 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.868 5.627 -22.546 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.798 6.373 -21.225 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.060 6.054 -21.019 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.109 3.288 -22.372 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.272 3.621 -20.838 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.487 2.324 -20.925 1.00 0.00 H new ATOM 412 N GLU A 28 -5.538 4.297 -18.911 1.00 0.00 N ATOM 413 CA GLU A 28 -6.891 4.019 -19.377 1.00 0.00 C ATOM 414 C GLU A 28 -7.796 5.231 -19.176 1.00 0.00 C ATOM 415 O GLU A 28 -8.491 5.660 -20.096 1.00 0.00 O ATOM 416 CB GLU A 28 -7.469 2.809 -18.640 1.00 0.00 C ATOM 417 CG GLU A 28 -8.814 2.352 -19.181 1.00 0.00 C ATOM 418 CD GLU A 28 -9.971 3.156 -18.622 1.00 0.00 C ATOM 419 OE1 GLU A 28 -9.875 3.605 -17.461 1.00 0.00 O ATOM 420 OE2 GLU A 28 -10.973 3.338 -19.346 1.00 0.00 O ATOM 0 H GLU A 28 -5.217 3.688 -18.158 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.842 3.797 -20.443 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.761 1.983 -18.705 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.576 3.055 -17.584 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.811 2.434 -20.268 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.959 1.299 -18.941 1.00 0.00 H new ATOM 427 N SER A 29 -7.782 5.778 -17.964 1.00 0.00 N ATOM 428 CA SER A 29 -8.604 6.938 -17.640 1.00 0.00 C ATOM 429 C SER A 29 -8.357 8.073 -18.629 1.00 0.00 C ATOM 430 O SER A 29 -9.297 8.682 -19.139 1.00 0.00 O ATOM 431 CB SER A 29 -8.311 7.414 -16.216 1.00 0.00 C ATOM 432 OG SER A 29 -8.914 6.562 -15.258 1.00 0.00 O ATOM 0 H SER A 29 -7.211 5.436 -17.191 1.00 0.00 H new ATOM 0 HA SER A 29 -9.651 6.642 -17.709 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.234 7.443 -16.054 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.681 8.431 -16.086 1.00 0.00 H new ATOM 0 HG SER A 29 -8.826 5.630 -15.548 1.00 0.00 H new ATOM 438 N PHE A 30 -7.085 8.351 -18.895 1.00 0.00 N ATOM 439 CA PHE A 30 -6.713 9.413 -19.823 1.00 0.00 C ATOM 440 C PHE A 30 -7.212 9.105 -21.231 1.00 0.00 C ATOM 441 O PHE A 30 -7.717 9.985 -21.929 1.00 0.00 O ATOM 442 CB PHE A 30 -5.194 9.597 -19.837 1.00 0.00 C ATOM 443 CG PHE A 30 -4.760 10.959 -20.297 1.00 0.00 C ATOM 444 CD1 PHE A 30 -4.594 11.229 -21.646 1.00 0.00 C ATOM 445 CD2 PHE A 30 -4.519 11.970 -19.381 1.00 0.00 C ATOM 446 CE1 PHE A 30 -4.193 12.482 -22.071 1.00 0.00 C ATOM 447 CE2 PHE A 30 -4.119 13.225 -19.800 1.00 0.00 C ATOM 448 CZ PHE A 30 -3.957 13.481 -21.148 1.00 0.00 C ATOM 0 H PHE A 30 -6.295 7.856 -18.481 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.182 10.337 -19.485 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.805 9.420 -18.834 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.751 8.844 -20.488 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.780 10.452 -22.373 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.645 11.775 -18.326 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.064 12.679 -23.125 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.933 14.004 -19.075 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.646 14.461 -21.479 1.00 0.00 H new ATOM 458 N SER A 31 -7.067 7.849 -21.643 1.00 0.00 N ATOM 459 CA SER A 31 -7.499 7.425 -22.969 1.00 0.00 C ATOM 460 C SER A 31 -8.986 7.700 -23.171 1.00 0.00 C ATOM 461 O SER A 31 -9.399 8.200 -24.216 1.00 0.00 O ATOM 462 CB SER A 31 -7.213 5.935 -23.170 1.00 0.00 C ATOM 463 OG SER A 31 -8.255 5.139 -22.632 1.00 0.00 O ATOM 0 H SER A 31 -6.654 7.108 -21.077 1.00 0.00 H new ATOM 0 HA SER A 31 -6.938 7.999 -23.707 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.101 5.723 -24.233 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.269 5.675 -22.692 1.00 0.00 H new ATOM 0 HG SER A 31 -8.188 5.130 -21.654 1.00 0.00 H new ATOM 469 N GLU A 32 -9.785 7.370 -22.160 1.00 0.00 N ATOM 470 CA GLU A 32 -11.226 7.582 -22.226 1.00 0.00 C ATOM 471 C GLU A 32 -11.568 9.060 -22.063 1.00 0.00 C ATOM 472 O GLU A 32 -12.564 9.542 -22.603 1.00 0.00 O ATOM 473 CB GLU A 32 -11.934 6.761 -21.147 1.00 0.00 C ATOM 474 CG GLU A 32 -13.428 6.608 -21.380 1.00 0.00 C ATOM 475 CD GLU A 32 -13.764 5.400 -22.233 1.00 0.00 C ATOM 476 OE1 GLU A 32 -13.021 4.399 -22.164 1.00 0.00 O ATOM 477 OE2 GLU A 32 -14.772 5.456 -22.969 1.00 0.00 O ATOM 0 H GLU A 32 -9.459 6.955 -21.287 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.571 7.254 -23.207 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.479 5.772 -21.099 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.773 7.234 -20.178 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.935 6.522 -20.419 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.811 7.507 -21.863 1.00 0.00 H new ATOM 484 N LEU A 33 -10.735 9.774 -21.313 1.00 0.00 N ATOM 485 CA LEU A 33 -10.947 11.198 -21.077 1.00 0.00 C ATOM 486 C LEU A 33 -10.842 11.987 -22.378 1.00 0.00 C ATOM 487 O LEU A 33 -11.670 12.855 -22.658 1.00 0.00 O ATOM 488 CB LEU A 33 -9.929 11.724 -20.064 1.00 0.00 C ATOM 489 CG LEU A 33 -10.356 12.952 -19.259 1.00 0.00 C ATOM 490 CD1 LEU A 33 -10.562 14.147 -20.177 1.00 0.00 C ATOM 491 CD2 LEU A 33 -11.625 12.658 -18.471 1.00 0.00 C ATOM 0 H LEU A 33 -9.907 9.390 -20.858 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.951 11.329 -20.675 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.693 10.921 -19.366 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.009 11.965 -20.596 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.561 13.194 -18.553 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.866 15.011 -19.586 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.630 14.372 -20.697 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.338 13.916 -20.907 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.914 13.543 -17.904 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.427 12.390 -19.159 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.444 11.831 -17.785 1.00 0.00 H new ATOM 503 N TYR A 34 -9.822 11.679 -23.170 1.00 0.00 N ATOM 504 CA TYR A 34 -9.608 12.360 -24.442 1.00 0.00 C ATOM 505 C TYR A 34 -10.812 12.185 -25.362 1.00 0.00 C ATOM 506 O TYR A 34 -11.021 12.971 -26.286 1.00 0.00 O ATOM 507 CB TYR A 34 -8.348 11.826 -25.125 1.00 0.00 C ATOM 508 CG TYR A 34 -8.180 12.309 -26.548 1.00 0.00 C ATOM 509 CD1 TYR A 34 -8.164 13.666 -26.844 1.00 0.00 C ATOM 510 CD2 TYR A 34 -8.038 11.408 -27.596 1.00 0.00 C ATOM 511 CE1 TYR A 34 -8.011 14.112 -28.143 1.00 0.00 C ATOM 512 CE2 TYR A 34 -7.884 11.845 -28.897 1.00 0.00 C ATOM 513 CZ TYR A 34 -7.871 13.198 -29.166 1.00 0.00 C ATOM 514 OH TYR A 34 -7.719 13.637 -30.461 1.00 0.00 O ATOM 0 H TYR A 34 -9.130 10.962 -22.954 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.480 13.423 -24.239 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.476 12.124 -24.544 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.377 10.736 -25.121 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.273 14.385 -26.045 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.048 10.348 -27.390 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.001 15.171 -28.356 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.774 11.131 -29.700 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.494 14.591 -30.459 1.00 0.00 H new ATOM 524 N ASP A 35 -11.602 11.149 -25.102 1.00 0.00 N ATOM 525 CA ASP A 35 -12.787 10.870 -25.904 1.00 0.00 C ATOM 526 C ASP A 35 -13.993 11.643 -25.380 1.00 0.00 C ATOM 527 O ASP A 35 -14.583 12.453 -26.096 1.00 0.00 O ATOM 528 CB ASP A 35 -13.088 9.371 -25.905 1.00 0.00 C ATOM 529 CG ASP A 35 -12.602 8.683 -27.166 1.00 0.00 C ATOM 530 OD1 ASP A 35 -11.746 9.264 -27.866 1.00 0.00 O ATOM 531 OD2 ASP A 35 -13.079 7.566 -27.454 1.00 0.00 O ATOM 0 H ASP A 35 -11.443 10.488 -24.341 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.587 11.193 -26.926 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.617 8.908 -25.038 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.163 9.219 -25.803 1.00 0.00 H new ATOM 536 N ILE A 36 -14.354 11.387 -24.127 1.00 0.00 N ATOM 537 CA ILE A 36 -15.489 12.059 -23.507 1.00 0.00 C ATOM 538 C ILE A 36 -15.307 13.573 -23.521 1.00 0.00 C ATOM 539 O ILE A 36 -16.262 14.321 -23.734 1.00 0.00 O ATOM 540 CB ILE A 36 -15.695 11.591 -22.054 1.00 0.00 C ATOM 541 CG1 ILE A 36 -16.870 12.337 -21.417 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.425 11.803 -21.244 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.211 11.850 -20.026 1.00 0.00 C ATOM 0 H ILE A 36 -13.877 10.719 -23.521 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.370 11.796 -24.093 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.925 10.526 -22.060 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.634 13.400 -21.373 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.747 12.231 -22.056 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.587 11.467 -20.220 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.610 11.232 -21.689 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.167 12.862 -21.242 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.052 12.423 -19.636 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.478 10.794 -20.066 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.348 11.982 -19.373 1.00 0.00 H new ATOM 555 N ILE A 37 -14.075 14.017 -23.295 1.00 0.00 N ATOM 556 CA ILE A 37 -13.767 15.442 -23.284 1.00 0.00 C ATOM 557 C ILE A 37 -14.165 16.100 -24.601 1.00 0.00 C ATOM 558 O ILE A 37 -14.422 17.303 -24.653 1.00 0.00 O ATOM 559 CB ILE A 37 -12.269 15.692 -23.030 1.00 0.00 C ATOM 560 CG1 ILE A 37 -12.025 17.166 -22.698 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.450 15.274 -24.242 1.00 0.00 C ATOM 562 CD1 ILE A 37 -11.800 17.424 -21.225 1.00 0.00 C ATOM 0 H ILE A 37 -13.274 13.411 -23.117 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.343 15.884 -22.471 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.954 15.090 -22.178 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.158 17.517 -23.257 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -12.880 17.752 -23.035 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.393 15.457 -24.048 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.605 14.213 -24.437 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.764 15.853 -25.111 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.634 18.489 -21.063 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.676 17.104 -20.662 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.927 16.865 -20.887 1.00 0.00 H new ATOM 574 N ASP A 38 -14.216 15.303 -25.663 1.00 0.00 N ATOM 575 CA ASP A 38 -14.586 15.806 -26.980 1.00 0.00 C ATOM 576 C ASP A 38 -16.069 15.579 -27.252 1.00 0.00 C ATOM 577 O ASP A 38 -16.481 15.416 -28.400 1.00 0.00 O ATOM 578 CB ASP A 38 -13.746 15.128 -28.064 1.00 0.00 C ATOM 579 CG ASP A 38 -12.388 15.779 -28.236 1.00 0.00 C ATOM 580 OD1 ASP A 38 -12.054 16.678 -27.435 1.00 0.00 O ATOM 581 OD2 ASP A 38 -11.658 15.390 -29.171 1.00 0.00 O ATOM 0 H ASP A 38 -14.005 14.305 -25.637 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.392 16.878 -26.999 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.612 14.076 -27.811 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -14.284 15.162 -29.011 1.00 0.00 H new ATOM 586 N GLU A 39 -16.866 15.568 -26.188 1.00 0.00 N ATOM 587 CA GLU A 39 -18.304 15.358 -26.314 1.00 0.00 C ATOM 588 C GLU A 39 -19.079 16.467 -25.608 1.00 0.00 C ATOM 589 O GLU A 39 -18.491 17.345 -24.979 1.00 0.00 O ATOM 590 CB GLU A 39 -18.695 13.997 -25.733 1.00 0.00 C ATOM 591 CG GLU A 39 -19.858 13.339 -26.456 1.00 0.00 C ATOM 592 CD GLU A 39 -19.840 11.827 -26.335 1.00 0.00 C ATOM 593 OE1 GLU A 39 -20.155 11.316 -25.240 1.00 0.00 O ATOM 594 OE2 GLU A 39 -19.510 11.156 -27.335 1.00 0.00 O ATOM 0 H GLU A 39 -16.541 15.702 -25.230 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.558 15.379 -27.374 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.831 13.333 -25.772 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -18.955 14.121 -24.682 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -20.795 13.721 -26.052 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -19.829 13.616 -27.510 1.00 0.00 H new ATOM 601 N ASN A 40 -20.403 16.418 -25.718 1.00 0.00 N ATOM 602 CA ASN A 40 -21.259 17.418 -25.092 1.00 0.00 C ATOM 603 C ASN A 40 -22.276 16.760 -24.165 1.00 0.00 C ATOM 604 O ASN A 40 -23.420 17.205 -24.065 1.00 0.00 O ATOM 605 CB ASN A 40 -21.983 18.240 -26.160 1.00 0.00 C ATOM 606 CG ASN A 40 -22.476 17.386 -27.312 1.00 0.00 C ATOM 607 OD1 ASN A 40 -22.965 16.274 -27.111 1.00 0.00 O ATOM 608 ND2 ASN A 40 -22.348 17.902 -28.529 1.00 0.00 N ATOM 0 H ASN A 40 -20.906 15.696 -26.235 1.00 0.00 H new ATOM 0 HA ASN A 40 -20.628 18.080 -24.499 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -22.829 18.756 -25.706 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -21.310 19.007 -26.542 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -22.661 17.373 -29.343 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -21.937 18.828 -28.650 1.00 0.00 H new ATOM 615 N ASP A 41 -21.851 15.699 -23.488 1.00 0.00 N ATOM 616 CA ASP A 41 -22.724 14.980 -22.567 1.00 0.00 C ATOM 617 C ASP A 41 -22.314 15.234 -21.120 1.00 0.00 C ATOM 618 O ASP A 41 -21.322 14.685 -20.638 1.00 0.00 O ATOM 619 CB ASP A 41 -22.689 13.480 -22.864 1.00 0.00 C ATOM 620 CG ASP A 41 -23.397 13.129 -24.158 1.00 0.00 C ATOM 621 OD1 ASP A 41 -23.327 13.935 -25.110 1.00 0.00 O ATOM 622 OD2 ASP A 41 -24.020 12.049 -24.219 1.00 0.00 O ATOM 0 H ASP A 41 -20.908 15.318 -23.559 1.00 0.00 H new ATOM 0 HA ASP A 41 -23.741 15.347 -22.708 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -21.652 13.148 -22.919 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -23.154 12.939 -22.040 1.00 0.00 H new ATOM 627 N THR A 42 -23.083 16.070 -20.430 1.00 0.00 N ATOM 628 CA THR A 42 -22.799 16.399 -19.039 1.00 0.00 C ATOM 629 C THR A 42 -23.400 15.364 -18.095 1.00 0.00 C ATOM 630 O THR A 42 -23.031 15.291 -16.923 1.00 0.00 O ATOM 631 CB THR A 42 -23.343 17.792 -18.669 1.00 0.00 C ATOM 632 OG1 THR A 42 -22.882 18.765 -19.613 1.00 0.00 O ATOM 633 CG2 THR A 42 -22.903 18.190 -17.268 1.00 0.00 C ATOM 0 H THR A 42 -23.908 16.532 -20.812 1.00 0.00 H new ATOM 0 HA THR A 42 -21.715 16.400 -18.930 1.00 0.00 H new ATOM 0 HB THR A 42 -24.432 17.750 -18.693 1.00 0.00 H new ATOM 0 HG1 THR A 42 -23.234 19.647 -19.372 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.299 19.177 -17.029 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.280 17.464 -16.548 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.814 18.215 -17.222 1.00 0.00 H new ATOM 641 N ASP A 43 -24.327 14.566 -18.614 1.00 0.00 N ATOM 642 CA ASP A 43 -24.978 13.533 -17.817 1.00 0.00 C ATOM 643 C ASP A 43 -24.096 12.293 -17.710 1.00 0.00 C ATOM 644 O ASP A 43 -23.917 11.737 -16.626 1.00 0.00 O ATOM 645 CB ASP A 43 -26.329 13.161 -18.431 1.00 0.00 C ATOM 646 CG ASP A 43 -26.208 12.734 -19.880 1.00 0.00 C ATOM 647 OD1 ASP A 43 -25.861 13.587 -20.723 1.00 0.00 O ATOM 648 OD2 ASP A 43 -26.463 11.547 -20.173 1.00 0.00 O ATOM 0 H ASP A 43 -24.644 14.615 -19.582 1.00 0.00 H new ATOM 0 HA ASP A 43 -25.140 13.930 -16.815 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -26.777 12.353 -17.853 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -27.004 14.014 -18.362 1.00 0.00 H new ATOM 653 N VAL A 44 -23.548 11.862 -18.842 1.00 0.00 N ATOM 654 CA VAL A 44 -22.685 10.688 -18.875 1.00 0.00 C ATOM 655 C VAL A 44 -21.460 10.881 -17.988 1.00 0.00 C ATOM 656 O VAL A 44 -20.809 9.915 -17.592 1.00 0.00 O ATOM 657 CB VAL A 44 -22.221 10.372 -20.310 1.00 0.00 C ATOM 658 CG1 VAL A 44 -21.285 11.457 -20.819 1.00 0.00 C ATOM 659 CG2 VAL A 44 -21.551 9.008 -20.365 1.00 0.00 C ATOM 0 H VAL A 44 -23.687 12.309 -19.748 1.00 0.00 H new ATOM 0 HA VAL A 44 -23.274 9.852 -18.499 1.00 0.00 H new ATOM 0 HB VAL A 44 -23.096 10.347 -20.959 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -20.968 11.217 -21.834 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -21.804 12.415 -20.818 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -20.411 11.517 -20.170 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -21.230 8.801 -21.386 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -20.685 9.001 -19.704 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -22.258 8.242 -20.045 1.00 0.00 H new ATOM 669 N MET A 45 -21.151 12.137 -17.680 1.00 0.00 N ATOM 670 CA MET A 45 -20.004 12.457 -16.838 1.00 0.00 C ATOM 671 C MET A 45 -20.055 11.675 -15.530 1.00 0.00 C ATOM 672 O MET A 45 -19.083 11.025 -15.145 1.00 0.00 O ATOM 673 CB MET A 45 -19.961 13.958 -16.547 1.00 0.00 C ATOM 674 CG MET A 45 -19.128 14.747 -17.545 1.00 0.00 C ATOM 675 SD MET A 45 -18.376 16.214 -16.815 1.00 0.00 S ATOM 676 CE MET A 45 -16.834 15.537 -16.206 1.00 0.00 C ATOM 0 H MET A 45 -21.679 12.949 -18.001 1.00 0.00 H new ATOM 0 HA MET A 45 -19.100 12.173 -17.376 1.00 0.00 H new ATOM 0 HB2 MET A 45 -20.978 14.349 -16.546 1.00 0.00 H new ATOM 0 HB3 MET A 45 -19.559 14.114 -15.546 1.00 0.00 H new ATOM 0 HG2 MET A 45 -18.345 14.104 -17.948 1.00 0.00 H new ATOM 0 HG3 MET A 45 -19.758 15.045 -18.383 1.00 0.00 H new ATOM 0 HE1 MET A 45 -16.769 15.691 -15.129 1.00 0.00 H new ATOM 0 HE2 MET A 45 -16.794 14.470 -16.423 1.00 0.00 H new ATOM 0 HE3 MET A 45 -15.998 16.038 -16.695 1.00 0.00 H new ATOM 686 N MET A 46 -21.195 11.742 -14.850 1.00 0.00 N ATOM 687 CA MET A 46 -21.372 11.039 -13.584 1.00 0.00 C ATOM 688 C MET A 46 -21.024 9.561 -13.730 1.00 0.00 C ATOM 689 O MET A 46 -20.215 9.026 -12.972 1.00 0.00 O ATOM 690 CB MET A 46 -22.812 11.189 -13.090 1.00 0.00 C ATOM 691 CG MET A 46 -23.129 10.336 -11.872 1.00 0.00 C ATOM 692 SD MET A 46 -22.089 10.736 -10.455 1.00 0.00 S ATOM 693 CE MET A 46 -23.237 11.666 -9.443 1.00 0.00 C ATOM 0 H MET A 46 -22.010 12.275 -15.154 1.00 0.00 H new ATOM 0 HA MET A 46 -20.696 11.483 -12.853 1.00 0.00 H new ATOM 0 HB2 MET A 46 -22.997 12.236 -12.849 1.00 0.00 H new ATOM 0 HB3 MET A 46 -23.494 10.923 -13.897 1.00 0.00 H new ATOM 0 HG2 MET A 46 -24.176 10.473 -11.600 1.00 0.00 H new ATOM 0 HG3 MET A 46 -23.001 9.284 -12.127 1.00 0.00 H new ATOM 0 HE1 MET A 46 -22.739 11.984 -8.527 1.00 0.00 H new ATOM 0 HE2 MET A 46 -23.579 12.542 -9.993 1.00 0.00 H new ATOM 0 HE3 MET A 46 -24.092 11.038 -9.192 1.00 0.00 H new ATOM 703 N ASP A 47 -21.641 8.906 -14.708 1.00 0.00 N ATOM 704 CA ASP A 47 -21.396 7.490 -14.953 1.00 0.00 C ATOM 705 C ASP A 47 -19.914 7.231 -15.205 1.00 0.00 C ATOM 706 O ASP A 47 -19.393 6.166 -14.873 1.00 0.00 O ATOM 707 CB ASP A 47 -22.221 7.007 -16.147 1.00 0.00 C ATOM 708 CG ASP A 47 -21.768 5.652 -16.653 1.00 0.00 C ATOM 709 OD1 ASP A 47 -20.766 5.601 -17.398 1.00 0.00 O ATOM 710 OD2 ASP A 47 -22.414 4.642 -16.304 1.00 0.00 O ATOM 0 H ASP A 47 -22.314 9.334 -15.344 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.698 6.935 -14.065 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.271 6.952 -15.861 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -22.148 7.736 -16.954 1.00 0.00 H new ATOM 715 N PHE A 48 -19.239 8.211 -15.797 1.00 0.00 N ATOM 716 CA PHE A 48 -17.817 8.089 -16.096 1.00 0.00 C ATOM 717 C PHE A 48 -16.981 8.224 -14.827 1.00 0.00 C ATOM 718 O PHE A 48 -16.098 7.407 -14.563 1.00 0.00 O ATOM 719 CB PHE A 48 -17.395 9.151 -17.113 1.00 0.00 C ATOM 720 CG PHE A 48 -15.908 9.248 -17.296 1.00 0.00 C ATOM 721 CD1 PHE A 48 -15.233 8.336 -18.092 1.00 0.00 C ATOM 722 CD2 PHE A 48 -15.184 10.252 -16.673 1.00 0.00 C ATOM 723 CE1 PHE A 48 -13.864 8.423 -18.261 1.00 0.00 C ATOM 724 CE2 PHE A 48 -13.814 10.344 -16.839 1.00 0.00 C ATOM 725 CZ PHE A 48 -13.154 9.429 -17.635 1.00 0.00 C ATOM 0 H PHE A 48 -19.654 9.099 -16.079 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.644 7.100 -16.521 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.857 8.926 -18.074 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.778 10.120 -16.794 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.783 7.549 -18.586 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.696 10.971 -16.050 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.350 7.705 -18.882 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.261 11.130 -16.347 1.00 0.00 H new ATOM 0 HZ PHE A 48 -12.085 9.500 -17.768 1.00 0.00 H new ATOM 735 N ILE A 49 -17.266 9.259 -14.045 1.00 0.00 N ATOM 736 CA ILE A 49 -16.541 9.501 -12.804 1.00 0.00 C ATOM 737 C ILE A 49 -16.795 8.388 -11.793 1.00 0.00 C ATOM 738 O ILE A 49 -15.926 8.056 -10.987 1.00 0.00 O ATOM 739 CB ILE A 49 -16.935 10.851 -12.175 1.00 0.00 C ATOM 740 CG1 ILE A 49 -16.684 11.991 -13.163 1.00 0.00 C ATOM 741 CG2 ILE A 49 -16.162 11.080 -10.885 1.00 0.00 C ATOM 742 CD1 ILE A 49 -17.858 12.934 -13.309 1.00 0.00 C ATOM 0 H ILE A 49 -17.994 9.944 -14.249 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.481 9.524 -13.057 1.00 0.00 H new ATOM 0 HB ILE A 49 -17.999 10.828 -11.938 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.812 12.558 -12.837 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -16.444 11.569 -14.139 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.451 12.038 -10.453 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.387 10.280 -10.179 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.093 11.086 -11.098 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.609 13.717 -14.025 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.727 12.381 -13.664 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -18.085 13.385 -12.343 1.00 0.00 H new ATOM 754 N SER A 50 -17.993 7.814 -11.842 1.00 0.00 N ATOM 755 CA SER A 50 -18.364 6.739 -10.929 1.00 0.00 C ATOM 756 C SER A 50 -17.769 5.410 -11.384 1.00 0.00 C ATOM 757 O SER A 50 -17.139 4.699 -10.602 1.00 0.00 O ATOM 758 CB SER A 50 -19.886 6.623 -10.835 1.00 0.00 C ATOM 759 OG SER A 50 -20.442 7.738 -10.158 1.00 0.00 O ATOM 0 H SER A 50 -18.723 8.075 -12.504 1.00 0.00 H new ATOM 0 HA SER A 50 -17.964 6.979 -9.944 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.311 6.553 -11.836 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.152 5.705 -10.310 1.00 0.00 H new ATOM 0 HG SER A 50 -20.609 8.460 -10.799 1.00 0.00 H new ATOM 765 N ARG A 51 -17.974 5.082 -12.656 1.00 0.00 N ATOM 766 CA ARG A 51 -17.459 3.838 -13.216 1.00 0.00 C ATOM 767 C ARG A 51 -15.940 3.772 -13.089 1.00 0.00 C ATOM 768 O ARG A 51 -15.377 2.717 -12.795 1.00 0.00 O ATOM 769 CB ARG A 51 -17.864 3.711 -14.686 1.00 0.00 C ATOM 770 CG ARG A 51 -17.410 2.412 -15.332 1.00 0.00 C ATOM 771 CD ARG A 51 -18.077 1.206 -14.689 1.00 0.00 C ATOM 772 NE ARG A 51 -17.912 -0.003 -15.490 1.00 0.00 N ATOM 773 CZ ARG A 51 -18.401 -1.188 -15.142 1.00 0.00 C ATOM 774 NH1 ARG A 51 -19.083 -1.322 -14.013 1.00 0.00 N ATOM 775 NH2 ARG A 51 -18.209 -2.243 -15.924 1.00 0.00 N ATOM 0 H ARG A 51 -18.493 5.660 -13.317 1.00 0.00 H new ATOM 0 HA ARG A 51 -17.890 3.010 -12.654 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -18.949 3.786 -14.763 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -17.446 4.550 -15.243 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -17.643 2.433 -16.397 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -16.327 2.320 -15.244 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -17.654 1.044 -13.697 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -19.139 1.409 -14.554 1.00 0.00 H new ATOM 0 HE ARG A 51 -17.393 0.066 -16.365 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -19.233 -0.514 -13.409 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -19.457 -2.233 -13.748 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.685 -2.145 -16.794 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.585 -3.152 -15.655 1.00 0.00 H new ATOM 789 N PHE A 52 -15.283 4.905 -13.312 1.00 0.00 N ATOM 790 CA PHE A 52 -13.829 4.975 -13.224 1.00 0.00 C ATOM 791 C PHE A 52 -13.381 5.182 -11.780 1.00 0.00 C ATOM 792 O PHE A 52 -12.622 4.383 -11.234 1.00 0.00 O ATOM 793 CB PHE A 52 -13.298 6.110 -14.102 1.00 0.00 C ATOM 794 CG PHE A 52 -13.294 5.782 -15.568 1.00 0.00 C ATOM 795 CD1 PHE A 52 -14.478 5.498 -16.231 1.00 0.00 C ATOM 796 CD2 PHE A 52 -12.108 5.757 -16.283 1.00 0.00 C ATOM 797 CE1 PHE A 52 -14.478 5.197 -17.580 1.00 0.00 C ATOM 798 CE2 PHE A 52 -12.102 5.457 -17.632 1.00 0.00 C ATOM 799 CZ PHE A 52 -13.289 5.175 -18.281 1.00 0.00 C ATOM 0 H PHE A 52 -15.734 5.787 -13.555 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.422 4.028 -13.580 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.906 7.000 -13.939 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.283 6.356 -13.790 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -15.411 5.512 -15.687 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.177 5.974 -15.780 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -15.407 4.979 -18.085 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.171 5.443 -18.178 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.286 4.938 -19.335 1.00 0.00 H new ATOM 809 N ALA A 53 -13.857 6.262 -11.169 1.00 0.00 N ATOM 810 CA ALA A 53 -13.507 6.575 -9.788 1.00 0.00 C ATOM 811 C ALA A 53 -14.540 6.009 -8.819 1.00 0.00 C ATOM 812 O ALA A 53 -15.732 6.296 -8.931 1.00 0.00 O ATOM 813 CB ALA A 53 -13.377 8.080 -9.605 1.00 0.00 C ATOM 0 H ALA A 53 -14.486 6.935 -11.608 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.547 6.109 -9.567 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.116 8.299 -8.570 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.597 8.461 -10.265 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.325 8.559 -9.849 1.00 0.00 H new ATOM 819 N ARG A 54 -14.074 5.205 -7.869 1.00 0.00 N ATOM 820 CA ARG A 54 -14.958 4.598 -6.881 1.00 0.00 C ATOM 821 C ARG A 54 -15.146 5.520 -5.680 1.00 0.00 C ATOM 822 O ARG A 54 -16.273 5.823 -5.286 1.00 0.00 O ATOM 823 CB ARG A 54 -14.396 3.252 -6.421 1.00 0.00 C ATOM 824 CG ARG A 54 -15.428 2.356 -5.755 1.00 0.00 C ATOM 825 CD ARG A 54 -14.767 1.233 -4.971 1.00 0.00 C ATOM 826 NE ARG A 54 -13.797 0.499 -5.778 1.00 0.00 N ATOM 827 CZ ARG A 54 -14.135 -0.383 -6.712 1.00 0.00 C ATOM 828 NH1 ARG A 54 -15.414 -0.639 -6.955 1.00 0.00 N ATOM 829 NH2 ARG A 54 -13.195 -1.012 -7.405 1.00 0.00 N ATOM 0 H ARG A 54 -13.090 4.959 -7.763 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.929 4.438 -7.349 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.976 2.731 -7.281 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.577 3.429 -5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -16.051 2.951 -5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -16.088 1.933 -6.513 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.269 1.647 -4.094 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.531 0.545 -4.609 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.805 0.673 -5.616 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.140 -0.158 -6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.671 -1.317 -7.673 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.210 -0.819 -7.221 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.457 -1.689 -8.122 1.00 0.00 H new ATOM 843 N THR A 55 -14.035 5.963 -5.101 1.00 0.00 N ATOM 844 CA THR A 55 -14.076 6.849 -3.945 1.00 0.00 C ATOM 845 C THR A 55 -15.004 6.302 -2.866 1.00 0.00 C ATOM 846 O THR A 55 -15.776 7.046 -2.262 1.00 0.00 O ATOM 847 CB THR A 55 -14.541 8.264 -4.337 1.00 0.00 C ATOM 848 OG1 THR A 55 -15.958 8.273 -4.548 1.00 0.00 O ATOM 849 CG2 THR A 55 -13.832 8.737 -5.597 1.00 0.00 C ATOM 0 H THR A 55 -13.095 5.722 -5.414 1.00 0.00 H new ATOM 0 HA THR A 55 -13.060 6.904 -3.553 1.00 0.00 H new ATOM 0 HB THR A 55 -14.291 8.944 -3.522 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.281 7.352 -4.639 1.00 0.00 H new ATOM 0 HG21 THR A 55 -14.177 9.739 -5.854 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.756 8.757 -5.423 1.00 0.00 H new ATOM 0 HG23 THR A 55 -14.055 8.055 -6.418 1.00 0.00 H new ATOM 857 N ASP A 56 -14.924 4.997 -2.629 1.00 0.00 N ATOM 858 CA ASP A 56 -15.756 4.350 -1.622 1.00 0.00 C ATOM 859 C ASP A 56 -14.964 4.098 -0.343 1.00 0.00 C ATOM 860 O ASP A 56 -15.501 4.194 0.760 1.00 0.00 O ATOM 861 CB ASP A 56 -16.313 3.031 -2.160 1.00 0.00 C ATOM 862 CG ASP A 56 -17.597 3.222 -2.943 1.00 0.00 C ATOM 863 OD1 ASP A 56 -18.321 4.200 -2.666 1.00 0.00 O ATOM 864 OD2 ASP A 56 -17.877 2.392 -3.834 1.00 0.00 O ATOM 0 H ASP A 56 -14.291 4.367 -3.121 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.586 5.017 -1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.567 2.559 -2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -16.496 2.351 -1.328 1.00 0.00 H new ATOM 869 N GLU A 57 -13.684 3.773 -0.500 1.00 0.00 N ATOM 870 CA GLU A 57 -12.819 3.505 0.643 1.00 0.00 C ATOM 871 C GLU A 57 -11.385 3.941 0.355 1.00 0.00 C ATOM 872 O GLU A 57 -10.716 3.374 -0.510 1.00 0.00 O ATOM 873 CB GLU A 57 -12.850 2.017 0.997 1.00 0.00 C ATOM 874 CG GLU A 57 -11.826 1.619 2.046 1.00 0.00 C ATOM 875 CD GLU A 57 -12.213 0.355 2.790 1.00 0.00 C ATOM 876 OE1 GLU A 57 -11.929 -0.746 2.275 1.00 0.00 O ATOM 877 OE2 GLU A 57 -12.801 0.468 3.886 1.00 0.00 O ATOM 0 H GLU A 57 -13.224 3.689 -1.406 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.192 4.080 1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.846 1.759 1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.677 1.433 0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.858 1.472 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.707 2.434 2.760 1.00 0.00 H new ATOM 884 N ILE A 58 -10.922 4.950 1.083 1.00 0.00 N ATOM 885 CA ILE A 58 -9.568 5.462 0.906 1.00 0.00 C ATOM 886 C ILE A 58 -8.725 5.229 2.155 1.00 0.00 C ATOM 887 O ILE A 58 -9.249 5.160 3.266 1.00 0.00 O ATOM 888 CB ILE A 58 -9.574 6.966 0.577 1.00 0.00 C ATOM 889 CG1 ILE A 58 -10.763 7.654 1.251 1.00 0.00 C ATOM 890 CG2 ILE A 58 -9.616 7.179 -0.929 1.00 0.00 C ATOM 891 CD1 ILE A 58 -10.733 7.570 2.761 1.00 0.00 C ATOM 0 H ILE A 58 -11.464 5.430 1.802 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.131 4.917 0.069 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.656 7.410 0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -10.782 8.703 0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -11.687 7.203 0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.620 8.247 -1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.740 6.719 -1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.519 6.723 -1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -11.606 8.079 3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.745 6.524 3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.827 8.047 3.134 1.00 0.00 H new ATOM 903 N MET A 59 -7.415 5.110 1.964 1.00 0.00 N ATOM 904 CA MET A 59 -6.498 4.888 3.075 1.00 0.00 C ATOM 905 C MET A 59 -5.294 5.820 2.982 1.00 0.00 C ATOM 906 O MET A 59 -4.983 6.367 1.923 1.00 0.00 O ATOM 907 CB MET A 59 -6.030 3.431 3.095 1.00 0.00 C ATOM 908 CG MET A 59 -6.946 2.509 3.882 1.00 0.00 C ATOM 909 SD MET A 59 -6.109 1.717 5.269 1.00 0.00 S ATOM 910 CE MET A 59 -6.875 0.098 5.246 1.00 0.00 C ATOM 0 H MET A 59 -6.965 5.164 1.050 1.00 0.00 H new ATOM 0 HA MET A 59 -7.031 5.104 4.001 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.956 3.068 2.070 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.028 3.386 3.522 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.797 3.080 4.254 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.343 1.742 3.216 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.461 -0.512 6.049 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.951 0.202 5.388 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.681 -0.383 4.287 1.00 0.00 H new ATOM 920 N PRO A 60 -4.599 6.006 4.114 1.00 0.00 N ATOM 921 CA PRO A 60 -3.418 6.872 4.184 1.00 0.00 C ATOM 922 C PRO A 60 -2.226 6.289 3.433 1.00 0.00 C ATOM 923 O PRO A 60 -1.491 7.012 2.762 1.00 0.00 O ATOM 924 CB PRO A 60 -3.121 6.945 5.684 1.00 0.00 C ATOM 925 CG PRO A 60 -3.700 5.693 6.246 1.00 0.00 C ATOM 926 CD PRO A 60 -4.912 5.386 5.412 1.00 0.00 C ATOM 0 HA PRO A 60 -3.597 7.843 3.723 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.049 7.005 5.873 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.574 7.828 6.135 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.980 4.876 6.203 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.970 5.824 7.294 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.072 4.312 5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.818 5.806 5.850 1.00 0.00 H new ATOM 934 N GLU A 61 -2.042 4.978 3.550 1.00 0.00 N ATOM 935 CA GLU A 61 -0.939 4.299 2.881 1.00 0.00 C ATOM 936 C GLU A 61 -0.913 4.638 1.393 1.00 0.00 C ATOM 937 O GLU A 61 0.151 4.694 0.777 1.00 0.00 O ATOM 938 CB GLU A 61 -1.053 2.785 3.068 1.00 0.00 C ATOM 939 CG GLU A 61 -0.584 2.303 4.431 1.00 0.00 C ATOM 940 CD GLU A 61 0.895 2.551 4.659 1.00 0.00 C ATOM 941 OE1 GLU A 61 1.715 1.952 3.932 1.00 0.00 O ATOM 942 OE2 GLU A 61 1.232 3.342 5.565 1.00 0.00 O ATOM 0 H GLU A 61 -2.642 4.365 4.102 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.008 4.644 3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.091 2.487 2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.468 2.287 2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.158 2.808 5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.789 1.237 4.526 1.00 0.00 H new ATOM 949 N ASP A 62 -2.092 4.862 0.824 1.00 0.00 N ATOM 950 CA ASP A 62 -2.206 5.196 -0.591 1.00 0.00 C ATOM 951 C ASP A 62 -1.384 6.437 -0.925 1.00 0.00 C ATOM 952 O ASP A 62 -1.639 7.523 -0.403 1.00 0.00 O ATOM 953 CB ASP A 62 -3.671 5.424 -0.967 1.00 0.00 C ATOM 954 CG ASP A 62 -4.463 4.132 -1.016 1.00 0.00 C ATOM 955 OD1 ASP A 62 -4.236 3.264 -0.148 1.00 0.00 O ATOM 956 OD2 ASP A 62 -5.311 3.989 -1.923 1.00 0.00 O ATOM 0 H ASP A 62 -2.982 4.818 1.320 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.817 4.358 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.128 6.100 -0.244 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.722 5.915 -1.939 1.00 0.00 H new ATOM 961 N LYS A 63 -0.395 6.269 -1.797 1.00 0.00 N ATOM 962 CA LYS A 63 0.465 7.375 -2.201 1.00 0.00 C ATOM 963 C LYS A 63 -0.049 8.025 -3.481 1.00 0.00 C ATOM 964 O LYS A 63 -0.955 7.504 -4.134 1.00 0.00 O ATOM 965 CB LYS A 63 1.899 6.883 -2.407 1.00 0.00 C ATOM 966 CG LYS A 63 2.949 7.956 -2.179 1.00 0.00 C ATOM 967 CD LYS A 63 4.329 7.353 -1.973 1.00 0.00 C ATOM 968 CE LYS A 63 5.428 8.352 -2.296 1.00 0.00 C ATOM 969 NZ LYS A 63 5.591 9.366 -1.217 1.00 0.00 N ATOM 0 H LYS A 63 -0.169 5.377 -2.237 1.00 0.00 H new ATOM 0 HA LYS A 63 0.453 8.121 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.089 6.051 -1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.000 6.498 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.971 8.632 -3.034 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.678 8.552 -1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.431 7.020 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.440 6.472 -2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.369 7.822 -2.441 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.197 8.855 -3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.350 10.029 -1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.701 9.889 -1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.837 8.889 -0.326 1.00 0.00 H new ATOM 983 N THR A 64 0.534 9.165 -3.837 1.00 0.00 N ATOM 984 CA THR A 64 0.135 9.885 -5.039 1.00 0.00 C ATOM 985 C THR A 64 1.116 9.638 -6.180 1.00 0.00 C ATOM 986 O THR A 64 2.248 10.121 -6.155 1.00 0.00 O ATOM 987 CB THR A 64 0.039 11.401 -4.780 1.00 0.00 C ATOM 988 OG1 THR A 64 -0.846 11.655 -3.683 1.00 0.00 O ATOM 989 CG2 THR A 64 -0.457 12.131 -6.019 1.00 0.00 C ATOM 0 H THR A 64 1.285 9.610 -3.309 1.00 0.00 H new ATOM 0 HA THR A 64 -0.848 9.508 -5.321 1.00 0.00 H new ATOM 0 HB THR A 64 1.035 11.770 -4.535 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.900 12.620 -3.523 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.517 13.200 -5.812 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.235 11.959 -6.844 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.445 11.758 -6.290 1.00 0.00 H new ATOM 997 N VAL A 65 0.675 8.882 -7.180 1.00 0.00 N ATOM 998 CA VAL A 65 1.513 8.571 -8.331 1.00 0.00 C ATOM 999 C VAL A 65 1.638 9.773 -9.261 1.00 0.00 C ATOM 1000 O VAL A 65 2.595 9.882 -10.026 1.00 0.00 O ATOM 1001 CB VAL A 65 0.954 7.377 -9.127 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -0.366 7.745 -9.786 1.00 0.00 C ATOM 1003 CG2 VAL A 65 1.964 6.908 -10.163 1.00 0.00 C ATOM 0 H VAL A 65 -0.259 8.473 -7.216 1.00 0.00 H new ATOM 0 HA VAL A 65 2.498 8.311 -7.943 1.00 0.00 H new ATOM 0 HB VAL A 65 0.770 6.556 -8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.745 6.889 -10.344 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.088 8.028 -9.020 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.212 8.582 -10.467 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.552 6.064 -10.716 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.182 7.723 -10.854 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.882 6.601 -9.663 1.00 0.00 H new ATOM 1013 N GLY A 66 0.664 10.675 -9.187 1.00 0.00 N ATOM 1014 CA GLY A 66 0.683 11.858 -10.027 1.00 0.00 C ATOM 1015 C GLY A 66 -0.685 12.498 -10.159 1.00 0.00 C ATOM 1016 O GLY A 66 -1.687 11.934 -9.719 1.00 0.00 O ATOM 0 H GLY A 66 -0.138 10.607 -8.560 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.382 12.584 -9.611 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.053 11.591 -11.017 1.00 0.00 H new ATOM 1020 N PHE A 67 -0.727 13.680 -10.765 1.00 0.00 N ATOM 1021 CA PHE A 67 -1.982 14.399 -10.951 1.00 0.00 C ATOM 1022 C PHE A 67 -2.089 14.949 -12.370 1.00 0.00 C ATOM 1023 O PHE A 67 -1.080 15.250 -13.009 1.00 0.00 O ATOM 1024 CB PHE A 67 -2.095 15.541 -9.939 1.00 0.00 C ATOM 1025 CG PHE A 67 -0.906 16.459 -9.936 1.00 0.00 C ATOM 1026 CD1 PHE A 67 0.190 16.191 -9.132 1.00 0.00 C ATOM 1027 CD2 PHE A 67 -0.885 17.589 -10.737 1.00 0.00 C ATOM 1028 CE1 PHE A 67 1.286 17.033 -9.127 1.00 0.00 C ATOM 1029 CE2 PHE A 67 0.208 18.435 -10.736 1.00 0.00 C ATOM 1030 CZ PHE A 67 1.294 18.157 -9.929 1.00 0.00 C ATOM 0 H PHE A 67 0.093 14.160 -11.135 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.801 13.698 -10.790 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.992 16.121 -10.157 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.222 15.121 -8.941 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.188 15.314 -8.502 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.732 17.811 -11.369 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.135 16.812 -8.497 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.213 19.313 -11.366 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.148 18.818 -9.925 1.00 0.00 H new ATOM 1040 N VAL A 68 -3.318 15.078 -12.858 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.558 15.593 -14.201 1.00 0.00 C ATOM 1042 C VAL A 68 -4.620 16.687 -14.189 1.00 0.00 C ATOM 1043 O VAL A 68 -5.780 16.438 -13.860 1.00 0.00 O ATOM 1044 CB VAL A 68 -4.002 14.472 -15.160 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.256 15.030 -16.552 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.960 13.364 -15.203 1.00 0.00 C ATOM 0 H VAL A 68 -4.164 14.833 -12.343 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.615 16.011 -14.553 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.935 14.048 -14.789 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.569 14.224 -17.216 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.041 15.785 -16.504 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.341 15.481 -16.936 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.290 12.581 -15.885 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.010 13.771 -15.550 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.832 12.946 -14.205 1.00 0.00 H new ATOM 1056 N VAL A 69 -4.215 17.900 -14.551 1.00 0.00 N ATOM 1057 CA VAL A 69 -5.132 19.033 -14.584 1.00 0.00 C ATOM 1058 C VAL A 69 -5.791 19.168 -15.952 1.00 0.00 C ATOM 1059 O VAL A 69 -5.113 19.332 -16.967 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.410 20.350 -14.243 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -5.406 21.494 -14.137 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.615 20.203 -12.954 1.00 0.00 C ATOM 0 H VAL A 69 -3.258 18.123 -14.825 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.898 18.841 -13.832 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.713 20.581 -15.049 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.877 22.416 -13.896 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.926 21.613 -15.087 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.130 21.275 -13.352 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.111 21.143 -12.728 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.290 19.948 -12.137 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.873 19.413 -13.072 1.00 0.00 H new ATOM 1072 N VAL A 70 -7.118 19.097 -15.974 1.00 0.00 N ATOM 1073 CA VAL A 70 -7.870 19.213 -17.217 1.00 0.00 C ATOM 1074 C VAL A 70 -9.038 20.181 -17.066 1.00 0.00 C ATOM 1075 O VAL A 70 -9.962 19.938 -16.290 1.00 0.00 O ATOM 1076 CB VAL A 70 -8.408 17.845 -17.677 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -9.230 17.994 -18.949 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -7.263 16.865 -17.884 1.00 0.00 C ATOM 0 H VAL A 70 -7.695 18.960 -15.144 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.180 19.596 -17.969 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.059 17.449 -16.897 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.602 17.017 -19.259 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.072 18.660 -18.762 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.606 18.412 -19.739 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.661 15.904 -18.209 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.585 17.253 -18.644 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.721 16.735 -16.947 1.00 0.00 H new ATOM 1088 N ASN A 71 -8.990 21.279 -17.813 1.00 0.00 N ATOM 1089 CA ASN A 71 -10.045 22.285 -17.761 1.00 0.00 C ATOM 1090 C ASN A 71 -10.504 22.665 -19.166 1.00 0.00 C ATOM 1091 O ASN A 71 -9.716 23.150 -19.977 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.555 23.530 -17.019 1.00 0.00 C ATOM 1093 CG ASN A 71 -8.636 23.189 -15.862 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -7.525 23.711 -15.762 1.00 0.00 O ATOM 1095 ND2 ASN A 71 -9.096 22.309 -14.980 1.00 0.00 N ATOM 0 H ASN A 71 -8.233 21.495 -18.461 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.892 21.859 -17.223 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.030 24.182 -17.717 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.413 24.088 -16.645 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.522 22.041 -14.180 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.023 21.901 -15.102 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.783 22.440 -19.445 1.00 0.00 N ATOM 1103 CA ALA A 72 -12.348 22.760 -20.750 1.00 0.00 C ATOM 1104 C ALA A 72 -12.642 24.252 -20.870 1.00 0.00 C ATOM 1105 O ALA A 72 -12.421 24.856 -21.919 1.00 0.00 O ATOM 1106 CB ALA A 72 -13.613 21.950 -20.992 1.00 0.00 C ATOM 0 H ALA A 72 -12.448 22.037 -18.785 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.612 22.498 -21.510 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.023 22.200 -21.970 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.376 20.887 -20.959 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.347 22.183 -20.221 1.00 0.00 H new ATOM 1112 N ASP A 73 -13.142 24.840 -19.789 1.00 0.00 N ATOM 1113 CA ASP A 73 -13.467 26.261 -19.772 1.00 0.00 C ATOM 1114 C ASP A 73 -12.279 27.095 -20.243 1.00 0.00 C ATOM 1115 O ASP A 73 -12.406 27.922 -21.146 1.00 0.00 O ATOM 1116 CB ASP A 73 -13.885 26.695 -18.366 1.00 0.00 C ATOM 1117 CG ASP A 73 -14.397 28.121 -18.328 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -15.199 28.487 -19.213 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -13.998 28.870 -17.413 1.00 0.00 O ATOM 0 H ASP A 73 -13.331 24.354 -18.912 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.299 26.426 -20.456 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.661 26.024 -17.997 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.034 26.600 -17.692 1.00 0.00 H new ATOM 1124 N LYS A 74 -11.124 26.873 -19.624 1.00 0.00 N ATOM 1125 CA LYS A 74 -9.913 27.603 -19.978 1.00 0.00 C ATOM 1126 C LYS A 74 -9.101 26.837 -21.018 1.00 0.00 C ATOM 1127 O LYS A 74 -8.163 27.374 -21.608 1.00 0.00 O ATOM 1128 CB LYS A 74 -9.060 27.853 -18.732 1.00 0.00 C ATOM 1129 CG LYS A 74 -9.625 28.921 -17.813 1.00 0.00 C ATOM 1130 CD LYS A 74 -9.062 28.802 -16.407 1.00 0.00 C ATOM 1131 CE LYS A 74 -7.770 29.590 -16.255 1.00 0.00 C ATOM 1132 NZ LYS A 74 -8.022 31.053 -16.146 1.00 0.00 N ATOM 0 H LYS A 74 -11.002 26.193 -18.874 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.208 28.561 -20.406 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.963 26.921 -18.175 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.057 28.146 -19.041 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.395 29.907 -18.216 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.711 28.836 -17.779 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.797 29.164 -15.688 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.879 27.753 -16.175 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.237 29.246 -15.368 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.123 29.396 -17.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.142 31.538 -15.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.351 31.418 -17.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.749 31.227 -15.423 1.00 0.00 H new ATOM 1146 N LYS A 75 -9.468 25.579 -21.239 1.00 0.00 N ATOM 1147 CA LYS A 75 -8.776 24.739 -22.210 1.00 0.00 C ATOM 1148 C LYS A 75 -7.325 24.512 -21.796 1.00 0.00 C ATOM 1149 O LYS A 75 -6.399 24.816 -22.550 1.00 0.00 O ATOM 1150 CB LYS A 75 -8.827 25.380 -23.598 1.00 0.00 C ATOM 1151 CG LYS A 75 -10.212 25.861 -23.995 1.00 0.00 C ATOM 1152 CD LYS A 75 -10.197 26.544 -25.352 1.00 0.00 C ATOM 1153 CE LYS A 75 -11.597 26.648 -25.939 1.00 0.00 C ATOM 1154 NZ LYS A 75 -11.575 27.154 -27.340 1.00 0.00 N ATOM 0 H LYS A 75 -10.241 25.119 -20.759 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.281 23.774 -22.244 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.137 26.223 -23.625 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.477 24.658 -24.336 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.899 25.015 -24.020 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.587 26.554 -23.242 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.767 27.541 -25.254 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.556 25.986 -26.034 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.075 25.669 -25.914 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.201 27.313 -25.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.548 27.210 -27.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.142 28.099 -27.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.020 26.506 -27.935 1.00 0.00 H new ATOM 1168 N LEU A 76 -7.134 23.976 -20.596 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.795 23.707 -20.083 1.00 0.00 C ATOM 1170 C LEU A 76 -5.586 22.212 -19.864 1.00 0.00 C ATOM 1171 O LEU A 76 -6.477 21.515 -19.379 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.568 24.462 -18.772 1.00 0.00 C ATOM 1173 CG LEU A 76 -6.189 25.856 -18.685 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -6.014 26.432 -17.288 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -5.574 26.780 -19.726 1.00 0.00 C ATOM 0 H LEU A 76 -7.889 23.719 -19.960 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.073 24.052 -20.824 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.963 23.858 -17.955 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.494 24.554 -18.610 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.256 25.771 -18.890 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.462 27.425 -17.245 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.502 25.782 -16.562 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.952 26.503 -17.054 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.028 27.768 -19.649 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.501 26.860 -19.553 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.752 26.375 -20.722 1.00 0.00 H new ATOM 1187 N MET A 77 -4.402 21.726 -20.224 1.00 0.00 N ATOM 1188 CA MET A 77 -4.076 20.314 -20.064 1.00 0.00 C ATOM 1189 C MET A 77 -2.687 20.142 -19.457 1.00 0.00 C ATOM 1190 O MET A 77 -1.696 20.627 -20.004 1.00 0.00 O ATOM 1191 CB MET A 77 -4.147 19.596 -21.413 1.00 0.00 C ATOM 1192 CG MET A 77 -4.653 18.165 -21.314 1.00 0.00 C ATOM 1193 SD MET A 77 -3.528 17.093 -20.399 1.00 0.00 S ATOM 1194 CE MET A 77 -2.022 17.293 -21.347 1.00 0.00 C ATOM 0 H MET A 77 -3.653 22.289 -20.628 1.00 0.00 H new ATOM 0 HA MET A 77 -4.807 19.873 -19.386 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.800 20.158 -22.081 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.155 19.592 -21.866 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.628 18.161 -20.828 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.796 17.764 -22.317 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.291 16.550 -21.029 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.239 17.159 -22.407 1.00 0.00 H new ATOM 0 HE3 MET A 77 -1.619 18.292 -21.183 1.00 0.00 H new ATOM 1204 N SER A 78 -2.622 19.451 -18.324 1.00 0.00 N ATOM 1205 CA SER A 78 -1.355 19.219 -17.640 1.00 0.00 C ATOM 1206 C SER A 78 -1.302 17.811 -17.057 1.00 0.00 C ATOM 1207 O SER A 78 -2.231 17.372 -16.378 1.00 0.00 O ATOM 1208 CB SER A 78 -1.155 20.252 -16.530 1.00 0.00 C ATOM 1209 OG SER A 78 -1.414 21.564 -17.000 1.00 0.00 O ATOM 0 H SER A 78 -3.433 19.042 -17.860 1.00 0.00 H new ATOM 0 HA SER A 78 -0.552 19.321 -18.370 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.817 20.025 -15.694 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.134 20.192 -16.153 1.00 0.00 H new ATOM 0 HG SER A 78 -1.280 22.205 -16.271 1.00 0.00 H new ATOM 1215 N VAL A 79 -0.207 17.106 -17.326 1.00 0.00 N ATOM 1216 CA VAL A 79 -0.031 15.748 -16.827 1.00 0.00 C ATOM 1217 C VAL A 79 1.290 15.604 -16.080 1.00 0.00 C ATOM 1218 O VAL A 79 2.360 15.857 -16.634 1.00 0.00 O ATOM 1219 CB VAL A 79 -0.074 14.719 -17.973 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -1.472 14.641 -18.568 1.00 0.00 C ATOM 1221 CG2 VAL A 79 0.951 15.069 -19.041 1.00 0.00 C ATOM 0 H VAL A 79 0.571 17.453 -17.887 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.856 15.553 -16.142 1.00 0.00 H new ATOM 0 HB VAL A 79 0.177 13.739 -17.568 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.483 13.909 -19.376 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.180 14.340 -17.796 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.756 15.618 -18.959 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.907 14.332 -19.843 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.733 16.058 -19.445 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.949 15.068 -18.602 1.00 0.00 H new ATOM 1231 N SER A 80 1.208 15.196 -14.817 1.00 0.00 N ATOM 1232 CA SER A 80 2.398 15.021 -13.992 1.00 0.00 C ATOM 1233 C SER A 80 2.295 13.751 -13.153 1.00 0.00 C ATOM 1234 O SER A 80 1.682 13.747 -12.085 1.00 0.00 O ATOM 1235 CB SER A 80 2.594 16.234 -13.080 1.00 0.00 C ATOM 1236 OG SER A 80 3.279 15.874 -11.893 1.00 0.00 O ATOM 0 H SER A 80 0.331 14.981 -14.343 1.00 0.00 H new ATOM 0 HA SER A 80 3.259 14.930 -14.654 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.156 17.004 -13.609 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.625 16.664 -12.828 1.00 0.00 H new ATOM 0 HG SER A 80 2.781 16.203 -11.116 1.00 0.00 H new ATOM 1242 N PHE A 81 2.899 12.675 -13.644 1.00 0.00 N ATOM 1243 CA PHE A 81 2.876 11.397 -12.941 1.00 0.00 C ATOM 1244 C PHE A 81 4.140 10.593 -13.232 1.00 0.00 C ATOM 1245 O PHE A 81 4.742 10.728 -14.297 1.00 0.00 O ATOM 1246 CB PHE A 81 1.640 10.591 -13.346 1.00 0.00 C ATOM 1247 CG PHE A 81 1.654 10.154 -14.783 1.00 0.00 C ATOM 1248 CD1 PHE A 81 1.471 11.075 -15.802 1.00 0.00 C ATOM 1249 CD2 PHE A 81 1.848 8.823 -15.115 1.00 0.00 C ATOM 1250 CE1 PHE A 81 1.484 10.677 -17.126 1.00 0.00 C ATOM 1251 CE2 PHE A 81 1.862 8.420 -16.437 1.00 0.00 C ATOM 1252 CZ PHE A 81 1.678 9.347 -17.443 1.00 0.00 C ATOM 0 H PHE A 81 3.411 12.662 -14.526 1.00 0.00 H new ATOM 0 HA PHE A 81 2.835 11.600 -11.871 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.565 9.711 -12.708 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.749 11.192 -13.166 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.316 12.116 -15.559 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.990 8.092 -14.332 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.343 11.405 -17.911 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.017 7.380 -16.683 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.686 9.033 -18.476 1.00 0.00 H new ATOM 1262 N SER A 82 4.535 9.758 -12.277 1.00 0.00 N ATOM 1263 CA SER A 82 5.729 8.935 -12.428 1.00 0.00 C ATOM 1264 C SER A 82 5.403 7.460 -12.213 1.00 0.00 C ATOM 1265 O SER A 82 4.236 7.076 -12.134 1.00 0.00 O ATOM 1266 CB SER A 82 6.809 9.379 -11.439 1.00 0.00 C ATOM 1267 OG SER A 82 8.102 9.036 -11.907 1.00 0.00 O ATOM 0 H SER A 82 4.046 9.633 -11.391 1.00 0.00 H new ATOM 0 HA SER A 82 6.102 9.063 -13.444 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.748 10.457 -11.288 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.634 8.911 -10.470 1.00 0.00 H new ATOM 0 HG SER A 82 8.774 9.332 -11.258 1.00 0.00 H new ATOM 1273 N ASP A 83 6.443 6.638 -12.121 1.00 0.00 N ATOM 1274 CA ASP A 83 6.269 5.205 -11.915 1.00 0.00 C ATOM 1275 C ASP A 83 5.544 4.570 -13.097 1.00 0.00 C ATOM 1276 O ASP A 83 4.560 3.851 -12.920 1.00 0.00 O ATOM 1277 CB ASP A 83 5.491 4.944 -10.624 1.00 0.00 C ATOM 1278 CG ASP A 83 5.860 5.916 -9.520 1.00 0.00 C ATOM 1279 OD1 ASP A 83 7.069 6.159 -9.323 1.00 0.00 O ATOM 1280 OD2 ASP A 83 4.939 6.433 -8.852 1.00 0.00 O ATOM 0 H ASP A 83 7.415 6.940 -12.186 1.00 0.00 H new ATOM 0 HA ASP A 83 7.257 4.753 -11.832 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.422 5.017 -10.826 1.00 0.00 H new ATOM 0 HB3 ASP A 83 5.683 3.925 -10.287 1.00 0.00 H new ATOM 1285 N ILE A 84 6.036 4.841 -14.301 1.00 0.00 N ATOM 1286 CA ILE A 84 5.434 4.296 -15.512 1.00 0.00 C ATOM 1287 C ILE A 84 6.503 3.869 -16.512 1.00 0.00 C ATOM 1288 O ILE A 84 7.621 4.384 -16.500 1.00 0.00 O ATOM 1289 CB ILE A 84 4.497 5.317 -16.184 1.00 0.00 C ATOM 1290 CG1 ILE A 84 5.234 6.636 -16.425 1.00 0.00 C ATOM 1291 CG2 ILE A 84 3.260 5.544 -15.328 1.00 0.00 C ATOM 1292 CD1 ILE A 84 4.683 7.432 -17.588 1.00 0.00 C ATOM 0 H ILE A 84 6.849 5.434 -14.464 1.00 0.00 H new ATOM 0 HA ILE A 84 4.852 3.425 -15.211 1.00 0.00 H new ATOM 0 HB ILE A 84 4.180 4.918 -17.148 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.180 7.243 -15.521 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.288 6.426 -16.606 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.608 6.268 -15.816 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.727 4.602 -15.202 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.558 5.925 -14.351 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.253 8.354 -17.700 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.762 6.843 -18.502 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.637 7.673 -17.401 1.00 0.00 H new ATOM 1304 N ASP A 85 6.151 2.925 -17.378 1.00 0.00 N ATOM 1305 CA ASP A 85 7.079 2.430 -18.388 1.00 0.00 C ATOM 1306 C ASP A 85 7.589 3.571 -19.264 1.00 0.00 C ATOM 1307 O ASP A 85 6.942 4.611 -19.382 1.00 0.00 O ATOM 1308 CB ASP A 85 6.402 1.368 -19.257 1.00 0.00 C ATOM 1309 CG ASP A 85 6.522 -0.024 -18.668 1.00 0.00 C ATOM 1310 OD1 ASP A 85 7.623 -0.608 -18.745 1.00 0.00 O ATOM 1311 OD2 ASP A 85 5.514 -0.530 -18.130 1.00 0.00 O ATOM 0 H ASP A 85 5.230 2.487 -17.401 1.00 0.00 H new ATOM 0 HA ASP A 85 7.930 1.981 -17.875 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.348 1.619 -19.377 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.848 1.378 -20.252 1.00 0.00 H new ATOM 1316 N GLU A 86 8.753 3.368 -19.873 1.00 0.00 N ATOM 1317 CA GLU A 86 9.350 4.381 -20.735 1.00 0.00 C ATOM 1318 C GLU A 86 8.598 4.480 -22.059 1.00 0.00 C ATOM 1319 O GLU A 86 8.388 5.572 -22.585 1.00 0.00 O ATOM 1320 CB GLU A 86 10.823 4.057 -20.996 1.00 0.00 C ATOM 1321 CG GLU A 86 11.043 2.696 -21.635 1.00 0.00 C ATOM 1322 CD GLU A 86 12.360 2.066 -21.228 1.00 0.00 C ATOM 1323 OE1 GLU A 86 13.315 2.820 -20.945 1.00 0.00 O ATOM 1324 OE2 GLU A 86 12.437 0.821 -21.191 1.00 0.00 O ATOM 0 H GLU A 86 9.301 2.512 -19.785 1.00 0.00 H new ATOM 0 HA GLU A 86 9.281 5.342 -20.225 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.246 4.825 -21.643 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.368 4.099 -20.053 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.225 2.032 -21.356 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.014 2.799 -22.720 1.00 0.00 H new ATOM 1331 N ASN A 87 8.195 3.331 -22.592 1.00 0.00 N ATOM 1332 CA ASN A 87 7.467 3.287 -23.855 1.00 0.00 C ATOM 1333 C ASN A 87 6.053 3.836 -23.687 1.00 0.00 C ATOM 1334 O ASN A 87 5.461 4.353 -24.633 1.00 0.00 O ATOM 1335 CB ASN A 87 7.410 1.854 -24.385 1.00 0.00 C ATOM 1336 CG ASN A 87 6.910 1.786 -25.816 1.00 0.00 C ATOM 1337 OD1 ASN A 87 7.388 2.513 -26.687 1.00 0.00 O ATOM 1338 ND2 ASN A 87 5.944 0.909 -26.064 1.00 0.00 N ATOM 0 H ASN A 87 8.360 2.418 -22.169 1.00 0.00 H new ATOM 0 HA ASN A 87 7.997 3.912 -24.574 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.403 1.409 -24.329 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.757 1.259 -23.746 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.568 0.818 -27.008 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.578 0.327 -25.311 1.00 0.00 H new ATOM 1345 N MET A 88 5.519 3.719 -22.475 1.00 0.00 N ATOM 1346 CA MET A 88 4.175 4.205 -22.183 1.00 0.00 C ATOM 1347 C MET A 88 4.096 5.719 -22.352 1.00 0.00 C ATOM 1348 O MET A 88 3.049 6.260 -22.708 1.00 0.00 O ATOM 1349 CB MET A 88 3.768 3.817 -20.760 1.00 0.00 C ATOM 1350 CG MET A 88 2.284 3.522 -20.612 1.00 0.00 C ATOM 1351 SD MET A 88 1.748 3.502 -18.891 1.00 0.00 S ATOM 1352 CE MET A 88 1.623 1.740 -18.596 1.00 0.00 C ATOM 0 H MET A 88 5.996 3.293 -21.680 1.00 0.00 H new ATOM 0 HA MET A 88 3.486 3.742 -22.890 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.337 2.939 -20.455 1.00 0.00 H new ATOM 0 HB3 MET A 88 4.039 4.625 -20.080 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.712 4.272 -21.158 1.00 0.00 H new ATOM 0 HG3 MET A 88 2.062 2.558 -21.069 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.300 1.565 -17.570 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.897 1.307 -19.284 1.00 0.00 H new ATOM 0 HE3 MET A 88 2.596 1.275 -18.755 1.00 0.00 H new ATOM 1362 N LYS A 89 5.209 6.398 -22.094 1.00 0.00 N ATOM 1363 CA LYS A 89 5.266 7.849 -22.218 1.00 0.00 C ATOM 1364 C LYS A 89 4.875 8.291 -23.625 1.00 0.00 C ATOM 1365 O LYS A 89 4.244 9.333 -23.806 1.00 0.00 O ATOM 1366 CB LYS A 89 6.672 8.355 -21.886 1.00 0.00 C ATOM 1367 CG LYS A 89 6.878 8.654 -20.411 1.00 0.00 C ATOM 1368 CD LYS A 89 8.059 9.584 -20.191 1.00 0.00 C ATOM 1369 CE LYS A 89 9.382 8.840 -20.296 1.00 0.00 C ATOM 1370 NZ LYS A 89 10.498 9.602 -19.672 1.00 0.00 N ATOM 0 H LYS A 89 6.084 5.966 -21.798 1.00 0.00 H new ATOM 0 HA LYS A 89 4.555 8.277 -21.511 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.402 7.609 -22.202 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.869 9.259 -22.462 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.975 9.107 -20.001 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.041 7.722 -19.869 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.033 10.387 -20.927 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.979 10.049 -19.209 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.291 7.868 -19.812 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.612 8.654 -21.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.382 9.062 -19.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.602 10.520 -20.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.291 9.758 -18.665 1.00 0.00 H new ATOM 1384 N LYS A 90 5.251 7.492 -24.617 1.00 0.00 N ATOM 1385 CA LYS A 90 4.937 7.798 -26.008 1.00 0.00 C ATOM 1386 C LYS A 90 3.430 7.908 -26.214 1.00 0.00 C ATOM 1387 O LYS A 90 2.935 8.910 -26.731 1.00 0.00 O ATOM 1388 CB LYS A 90 5.512 6.721 -26.931 1.00 0.00 C ATOM 1389 CG LYS A 90 5.841 7.228 -28.325 1.00 0.00 C ATOM 1390 CD LYS A 90 4.616 7.220 -29.224 1.00 0.00 C ATOM 1391 CE LYS A 90 5.005 7.208 -30.695 1.00 0.00 C ATOM 1392 NZ LYS A 90 5.388 8.564 -31.178 1.00 0.00 N ATOM 0 H LYS A 90 5.774 6.627 -24.484 1.00 0.00 H new ATOM 0 HA LYS A 90 5.390 8.758 -26.254 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.416 6.312 -26.479 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.797 5.902 -27.010 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.240 8.240 -28.260 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.621 6.606 -28.765 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.005 6.345 -29.001 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.004 8.098 -29.015 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.837 6.520 -30.845 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.171 6.833 -31.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.646 8.514 -32.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.585 9.215 -31.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.200 8.911 -30.629 1.00 0.00 H new ATOM 1406 N VAL A 91 2.704 6.872 -25.805 1.00 0.00 N ATOM 1407 CA VAL A 91 1.253 6.853 -25.943 1.00 0.00 C ATOM 1408 C VAL A 91 0.608 7.964 -25.121 1.00 0.00 C ATOM 1409 O VAL A 91 -0.147 8.781 -25.648 1.00 0.00 O ATOM 1410 CB VAL A 91 0.665 5.499 -25.504 1.00 0.00 C ATOM 1411 CG1 VAL A 91 -0.836 5.463 -25.749 1.00 0.00 C ATOM 1412 CG2 VAL A 91 1.359 4.357 -26.232 1.00 0.00 C ATOM 0 H VAL A 91 3.098 6.035 -25.375 1.00 0.00 H new ATOM 0 HA VAL A 91 1.034 7.011 -26.999 1.00 0.00 H new ATOM 0 HB VAL A 91 0.837 5.377 -24.435 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.233 4.499 -25.433 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.317 6.258 -25.179 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.035 5.607 -26.811 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.932 3.407 -25.910 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.219 4.472 -27.307 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.424 4.372 -26.001 1.00 0.00 H new ATOM 1422 N ILE A 92 0.913 7.988 -23.828 1.00 0.00 N ATOM 1423 CA ILE A 92 0.364 9.000 -22.933 1.00 0.00 C ATOM 1424 C ILE A 92 0.604 10.404 -23.479 1.00 0.00 C ATOM 1425 O ILE A 92 -0.318 11.216 -23.563 1.00 0.00 O ATOM 1426 CB ILE A 92 0.977 8.898 -21.524 1.00 0.00 C ATOM 1427 CG1 ILE A 92 0.697 7.520 -20.921 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.428 9.997 -20.627 1.00 0.00 C ATOM 1429 CD1 ILE A 92 1.832 6.989 -20.073 1.00 0.00 C ATOM 0 H ILE A 92 1.537 7.319 -23.377 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.708 8.816 -22.868 1.00 0.00 H new ATOM 0 HB ILE A 92 2.057 9.026 -21.603 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.205 7.575 -20.312 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.495 6.814 -21.727 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.871 9.912 -19.635 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.674 10.970 -21.052 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.655 9.898 -20.551 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.564 6.009 -19.678 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.731 6.901 -20.683 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.020 7.674 -19.246 1.00 0.00 H new ATOM 1441 N LYS A 93 1.848 10.684 -23.851 1.00 0.00 N ATOM 1442 CA LYS A 93 2.210 11.988 -24.393 1.00 0.00 C ATOM 1443 C LYS A 93 1.389 12.308 -25.638 1.00 0.00 C ATOM 1444 O LYS A 93 0.844 13.404 -25.768 1.00 0.00 O ATOM 1445 CB LYS A 93 3.703 12.027 -24.730 1.00 0.00 C ATOM 1446 CG LYS A 93 4.180 13.382 -25.222 1.00 0.00 C ATOM 1447 CD LYS A 93 5.658 13.359 -25.573 1.00 0.00 C ATOM 1448 CE LYS A 93 6.527 13.554 -24.340 1.00 0.00 C ATOM 1449 NZ LYS A 93 6.431 14.941 -23.807 1.00 0.00 N ATOM 0 H LYS A 93 2.623 10.024 -23.787 1.00 0.00 H new ATOM 0 HA LYS A 93 1.995 12.741 -23.634 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.274 11.750 -23.844 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.914 11.278 -25.493 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.602 13.676 -26.098 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.999 14.133 -24.453 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.906 12.409 -26.047 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.873 14.143 -26.299 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.225 12.847 -23.568 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.565 13.331 -24.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.190 15.100 -23.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.527 15.621 -24.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.508 15.073 -23.346 1.00 0.00 H new ATOM 1463 N ALA A 94 1.303 11.344 -26.548 1.00 0.00 N ATOM 1464 CA ALA A 94 0.545 11.522 -27.780 1.00 0.00 C ATOM 1465 C ALA A 94 -0.888 11.953 -27.486 1.00 0.00 C ATOM 1466 O ALA A 94 -1.386 12.923 -28.058 1.00 0.00 O ATOM 1467 CB ALA A 94 0.555 10.238 -28.597 1.00 0.00 C ATOM 0 H ALA A 94 1.749 10.431 -26.455 1.00 0.00 H new ATOM 0 HA ALA A 94 1.023 12.312 -28.360 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.015 10.386 -29.514 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.583 9.974 -28.847 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.105 9.433 -28.016 1.00 0.00 H new ATOM 1473 N THR A 95 -1.548 11.224 -26.591 1.00 0.00 N ATOM 1474 CA THR A 95 -2.924 11.530 -26.222 1.00 0.00 C ATOM 1475 C THR A 95 -3.041 12.939 -25.651 1.00 0.00 C ATOM 1476 O THR A 95 -3.876 13.729 -26.089 1.00 0.00 O ATOM 1477 CB THR A 95 -3.466 10.523 -25.189 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.239 9.185 -25.644 1.00 0.00 O ATOM 1479 CG2 THR A 95 -4.953 10.739 -24.951 1.00 0.00 C ATOM 0 H THR A 95 -1.151 10.418 -26.109 1.00 0.00 H new ATOM 0 HA THR A 95 -3.518 11.460 -27.133 1.00 0.00 H new ATOM 0 HB THR A 95 -2.938 10.681 -24.249 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.296 8.951 -25.515 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.313 10.017 -24.218 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.119 11.749 -24.576 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.494 10.606 -25.888 1.00 0.00 H new ATOM 1487 N ALA A 96 -2.197 13.247 -24.671 1.00 0.00 N ATOM 1488 CA ALA A 96 -2.204 14.562 -24.042 1.00 0.00 C ATOM 1489 C ALA A 96 -1.887 15.656 -25.055 1.00 0.00 C ATOM 1490 O ALA A 96 -2.326 16.796 -24.909 1.00 0.00 O ATOM 1491 CB ALA A 96 -1.211 14.601 -22.891 1.00 0.00 C ATOM 0 H ALA A 96 -1.500 12.604 -24.296 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.204 14.745 -23.650 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.227 15.589 -22.430 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.484 13.850 -22.149 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.210 14.392 -23.267 1.00 0.00 H new ATOM 1497 N GLU A 97 -1.120 15.302 -26.082 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.742 16.256 -27.118 1.00 0.00 C ATOM 1499 C GLU A 97 -1.915 16.536 -28.053 1.00 0.00 C ATOM 1500 O GLU A 97 -2.124 17.670 -28.485 1.00 0.00 O ATOM 1501 CB GLU A 97 0.449 15.728 -27.920 1.00 0.00 C ATOM 1502 CG GLU A 97 1.307 16.824 -28.529 1.00 0.00 C ATOM 1503 CD GLU A 97 2.302 16.291 -29.541 1.00 0.00 C ATOM 1504 OE1 GLU A 97 1.862 15.773 -30.589 1.00 0.00 O ATOM 1505 OE2 GLU A 97 3.521 16.391 -29.286 1.00 0.00 O ATOM 0 H GLU A 97 -0.749 14.362 -26.218 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.457 17.188 -26.631 1.00 0.00 H new ATOM 0 HB2 GLU A 97 1.070 15.112 -27.270 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.082 15.081 -28.717 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.663 17.559 -29.011 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.844 17.343 -27.735 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.679 15.493 -28.363 1.00 0.00 N ATOM 1513 CA LYS A 98 -3.831 15.624 -29.246 1.00 0.00 C ATOM 1514 C LYS A 98 -4.778 16.711 -28.748 1.00 0.00 C ATOM 1515 O LYS A 98 -5.485 17.341 -29.535 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.576 14.291 -29.347 1.00 0.00 C ATOM 1517 CG LYS A 98 -4.687 13.762 -30.767 1.00 0.00 C ATOM 1518 CD LYS A 98 -4.676 12.243 -30.798 1.00 0.00 C ATOM 1519 CE LYS A 98 -5.348 11.706 -32.053 1.00 0.00 C ATOM 1520 NZ LYS A 98 -4.435 11.739 -33.229 1.00 0.00 N ATOM 0 H LYS A 98 -2.520 14.547 -28.015 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.469 15.907 -30.234 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.064 13.551 -28.732 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.577 14.412 -28.934 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.607 14.130 -31.222 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.860 14.145 -31.365 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.648 11.885 -30.753 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.187 11.856 -29.916 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.678 10.682 -31.878 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.239 12.296 -32.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.930 11.365 -34.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.140 12.719 -33.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.596 11.156 -33.034 1.00 0.00 H new ATOM 1534 N PHE A 99 -4.786 16.927 -27.437 1.00 0.00 N ATOM 1535 CA PHE A 99 -5.646 17.938 -26.834 1.00 0.00 C ATOM 1536 C PHE A 99 -5.367 19.315 -27.430 1.00 0.00 C ATOM 1537 O PHE A 99 -6.221 20.201 -27.403 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.440 17.975 -25.318 1.00 0.00 C ATOM 1539 CG PHE A 99 -6.295 16.991 -24.573 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -5.898 15.670 -24.438 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -7.497 17.386 -24.007 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -6.683 14.762 -23.753 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -8.285 16.482 -23.320 1.00 0.00 C ATOM 1544 CZ PHE A 99 -7.878 15.168 -23.194 1.00 0.00 C ATOM 0 H PHE A 99 -4.206 16.415 -26.772 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.681 17.672 -27.047 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.392 17.774 -25.097 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.655 18.980 -24.954 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.964 15.346 -24.873 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.821 18.412 -24.104 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.362 13.736 -23.655 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.219 16.803 -22.882 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.494 14.460 -22.659 1.00 0.00 H new ATOM 1554 N LYS A 100 -4.164 19.487 -27.968 1.00 0.00 N ATOM 1555 CA LYS A 100 -3.770 20.754 -28.572 1.00 0.00 C ATOM 1556 C LYS A 100 -4.817 21.227 -29.576 1.00 0.00 C ATOM 1557 O LYS A 100 -5.005 22.427 -29.771 1.00 0.00 O ATOM 1558 CB LYS A 100 -2.412 20.612 -29.264 1.00 0.00 C ATOM 1559 CG LYS A 100 -1.817 21.936 -29.712 1.00 0.00 C ATOM 1560 CD LYS A 100 -0.773 21.738 -30.799 1.00 0.00 C ATOM 1561 CE LYS A 100 0.568 21.322 -30.215 1.00 0.00 C ATOM 1562 NZ LYS A 100 1.632 21.261 -31.255 1.00 0.00 N ATOM 0 H LYS A 100 -3.445 18.764 -27.998 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.691 21.497 -27.779 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.716 20.122 -28.583 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.522 19.960 -30.131 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.610 22.586 -30.082 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.364 22.440 -28.858 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.117 20.978 -31.501 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.654 22.663 -31.363 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.860 22.028 -29.438 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.470 20.347 -29.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.530 20.974 -30.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.366 20.569 -31.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.744 22.198 -31.692 1.00 0.00 H new ATOM 1576 N ASN A 101 -5.496 20.276 -30.209 1.00 0.00 N ATOM 1577 CA ASN A 101 -6.524 20.597 -31.192 1.00 0.00 C ATOM 1578 C ASN A 101 -7.576 21.527 -30.595 1.00 0.00 C ATOM 1579 O ASN A 101 -8.093 22.415 -31.273 1.00 0.00 O ATOM 1580 CB ASN A 101 -7.190 19.316 -31.701 1.00 0.00 C ATOM 1581 CG ASN A 101 -6.299 18.540 -32.651 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -5.910 19.043 -33.705 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -5.970 17.308 -32.280 1.00 0.00 N ATOM 0 H ASN A 101 -5.353 19.277 -30.059 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.046 21.107 -32.028 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.450 18.683 -30.853 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -8.122 19.570 -32.207 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.372 16.738 -32.878 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.316 16.932 -31.397 1.00 0.00 H new ATOM 1590 N LYS A 102 -7.888 21.317 -29.320 1.00 0.00 N ATOM 1591 CA LYS A 102 -8.877 22.137 -28.629 1.00 0.00 C ATOM 1592 C LYS A 102 -8.303 22.706 -27.335 1.00 0.00 C ATOM 1593 O LYS A 102 -9.041 23.006 -26.398 1.00 0.00 O ATOM 1594 CB LYS A 102 -10.130 21.313 -28.326 1.00 0.00 C ATOM 1595 CG LYS A 102 -10.819 20.773 -29.567 1.00 0.00 C ATOM 1596 CD LYS A 102 -11.274 21.896 -30.485 1.00 0.00 C ATOM 1597 CE LYS A 102 -12.433 21.458 -31.368 1.00 0.00 C ATOM 1598 NZ LYS A 102 -11.960 20.781 -32.608 1.00 0.00 N ATOM 0 H LYS A 102 -7.470 20.586 -28.744 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.145 22.967 -29.282 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.858 20.478 -27.680 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.835 21.931 -27.769 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.137 20.115 -30.106 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.679 20.170 -29.274 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.575 22.757 -29.888 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.440 22.217 -31.109 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.080 20.782 -30.809 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.035 22.327 -31.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.779 20.498 -33.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.363 21.434 -33.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.407 19.938 -32.354 1.00 0.00 H new ATOM 1612 N GLY A 103 -6.982 22.852 -27.292 1.00 0.00 N ATOM 1613 CA GLY A 103 -6.333 23.385 -26.109 1.00 0.00 C ATOM 1614 C GLY A 103 -4.822 23.377 -26.223 1.00 0.00 C ATOM 1615 O GLY A 103 -4.162 22.449 -25.756 1.00 0.00 O ATOM 0 H GLY A 103 -6.350 22.611 -28.055 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.676 24.406 -25.939 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.632 22.799 -25.240 1.00 0.00 H new ATOM 1619 N PHE A 104 -4.272 24.412 -26.849 1.00 0.00 N ATOM 1620 CA PHE A 104 -2.828 24.520 -27.026 1.00 0.00 C ATOM 1621 C PHE A 104 -2.102 24.337 -25.697 1.00 0.00 C ATOM 1622 O PHE A 104 -0.973 23.849 -25.655 1.00 0.00 O ATOM 1623 CB PHE A 104 -2.467 25.876 -27.635 1.00 0.00 C ATOM 1624 CG PHE A 104 -3.101 27.039 -26.926 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -2.526 27.567 -25.782 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -4.273 27.604 -27.404 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -3.107 28.638 -25.127 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -4.858 28.674 -26.755 1.00 0.00 C ATOM 1629 CZ PHE A 104 -4.275 29.191 -25.614 1.00 0.00 C ATOM 0 H PHE A 104 -4.804 25.188 -27.242 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.510 23.729 -27.705 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -1.384 25.997 -27.617 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.772 25.888 -28.681 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.613 27.137 -25.397 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.734 27.203 -28.294 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.648 29.041 -24.236 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.770 29.106 -27.139 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.732 30.026 -25.104 1.00 0.00 H new ATOM 1639 N LYS A 105 -2.759 24.732 -24.611 1.00 0.00 N ATOM 1640 CA LYS A 105 -2.178 24.613 -23.279 1.00 0.00 C ATOM 1641 C LYS A 105 -1.958 23.149 -22.911 1.00 0.00 C ATOM 1642 O LYS A 105 -2.854 22.490 -22.383 1.00 0.00 O ATOM 1643 CB LYS A 105 -3.086 25.279 -22.243 1.00 0.00 C ATOM 1644 CG LYS A 105 -2.621 25.082 -20.811 1.00 0.00 C ATOM 1645 CD LYS A 105 -1.288 25.766 -20.558 1.00 0.00 C ATOM 1646 CE LYS A 105 -1.468 27.246 -20.257 1.00 0.00 C ATOM 1647 NZ LYS A 105 -0.186 27.995 -20.369 1.00 0.00 N ATOM 0 H LYS A 105 -3.695 25.138 -24.628 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.212 25.118 -23.284 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.142 26.347 -22.454 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.095 24.880 -22.347 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.370 25.479 -20.126 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.530 24.016 -20.601 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.783 25.283 -19.722 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -0.646 25.647 -21.430 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -2.198 27.671 -20.946 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.872 27.366 -19.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.351 29.000 -20.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 0.503 27.607 -19.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.187 27.902 -21.335 1.00 0.00 H new ATOM 1661 N VAL A 106 -0.760 22.646 -23.192 1.00 0.00 N ATOM 1662 CA VAL A 106 -0.422 21.261 -22.888 1.00 0.00 C ATOM 1663 C VAL A 106 0.933 21.166 -22.194 1.00 0.00 C ATOM 1664 O VAL A 106 1.937 21.664 -22.702 1.00 0.00 O ATOM 1665 CB VAL A 106 -0.395 20.397 -24.163 1.00 0.00 C ATOM 1666 CG1 VAL A 106 -0.011 18.964 -23.829 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -1.742 20.446 -24.868 1.00 0.00 C ATOM 0 H VAL A 106 -0.007 23.177 -23.630 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.197 20.885 -22.220 1.00 0.00 H new ATOM 0 HB VAL A 106 0.358 20.801 -24.839 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.003 18.369 -24.742 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.978 18.950 -23.371 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.738 18.545 -23.134 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.705 19.830 -25.767 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.516 20.068 -24.200 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.972 21.475 -25.143 1.00 0.00 H new ATOM 1677 N GLU A 107 0.952 20.521 -21.032 1.00 0.00 N ATOM 1678 CA GLU A 107 2.184 20.361 -20.268 1.00 0.00 C ATOM 1679 C GLU A 107 2.303 18.942 -19.719 1.00 0.00 C ATOM 1680 O GLU A 107 1.327 18.367 -19.236 1.00 0.00 O ATOM 1681 CB GLU A 107 2.233 21.371 -19.120 1.00 0.00 C ATOM 1682 CG GLU A 107 3.549 21.363 -18.359 1.00 0.00 C ATOM 1683 CD GLU A 107 3.382 21.748 -16.902 1.00 0.00 C ATOM 1684 OE1 GLU A 107 2.794 20.952 -16.141 1.00 0.00 O ATOM 1685 OE2 GLU A 107 3.840 22.846 -16.523 1.00 0.00 O ATOM 0 H GLU A 107 0.129 20.101 -20.599 1.00 0.00 H new ATOM 0 HA GLU A 107 3.024 20.544 -20.938 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.059 22.371 -19.519 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.420 21.159 -18.426 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.994 20.370 -18.420 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.245 22.053 -18.836 1.00 0.00 H new ATOM 1692 N THR A 108 3.506 18.383 -19.796 1.00 0.00 N ATOM 1693 CA THR A 108 3.754 17.032 -19.308 1.00 0.00 C ATOM 1694 C THR A 108 5.028 16.973 -18.473 1.00 0.00 C ATOM 1695 O THR A 108 6.002 17.669 -18.761 1.00 0.00 O ATOM 1696 CB THR A 108 3.868 16.027 -20.470 1.00 0.00 C ATOM 1697 OG1 THR A 108 5.115 16.207 -21.152 1.00 0.00 O ATOM 1698 CG2 THR A 108 2.718 16.201 -21.451 1.00 0.00 C ATOM 0 H THR A 108 4.325 18.845 -20.192 1.00 0.00 H new ATOM 0 HA THR A 108 2.902 16.760 -18.685 1.00 0.00 H new ATOM 0 HB THR A 108 3.822 15.020 -20.056 1.00 0.00 H new ATOM 0 HG1 THR A 108 5.489 15.332 -21.387 1.00 0.00 H new ATOM 0 HG21 THR A 108 2.820 15.481 -22.263 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.772 16.035 -20.936 1.00 0.00 H new ATOM 0 HG23 THR A 108 2.737 17.212 -21.858 1.00 0.00 H new ATOM 1706 N ASP A 109 5.015 16.139 -17.440 1.00 0.00 N ATOM 1707 CA ASP A 109 6.171 15.988 -16.564 1.00 0.00 C ATOM 1708 C ASP A 109 7.176 15.004 -17.155 1.00 0.00 C ATOM 1709 O ASP A 109 6.862 13.833 -17.365 1.00 0.00 O ATOM 1710 CB ASP A 109 5.729 15.515 -15.178 1.00 0.00 C ATOM 1711 CG ASP A 109 6.896 15.346 -14.225 1.00 0.00 C ATOM 1712 OD1 ASP A 109 7.902 16.069 -14.384 1.00 0.00 O ATOM 1713 OD2 ASP A 109 6.803 14.491 -13.320 1.00 0.00 O ATOM 0 H ASP A 109 4.216 15.557 -17.188 1.00 0.00 H new ATOM 0 HA ASP A 109 6.654 16.960 -16.470 1.00 0.00 H new ATOM 0 HB2 ASP A 109 5.023 16.233 -14.760 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.200 14.566 -15.272 1.00 0.00 H new ATOM 1718 N MET A 110 8.384 15.489 -17.422 1.00 0.00 N ATOM 1719 CA MET A 110 9.435 14.651 -17.988 1.00 0.00 C ATOM 1720 C MET A 110 9.940 13.643 -16.961 1.00 0.00 C ATOM 1721 O MET A 110 10.243 12.498 -17.298 1.00 0.00 O ATOM 1722 CB MET A 110 10.595 15.517 -18.483 1.00 0.00 C ATOM 1723 CG MET A 110 11.505 14.806 -19.472 1.00 0.00 C ATOM 1724 SD MET A 110 13.069 15.668 -19.720 1.00 0.00 S ATOM 1725 CE MET A 110 13.367 15.337 -21.455 1.00 0.00 C ATOM 0 H MET A 110 8.659 16.457 -17.256 1.00 0.00 H new ATOM 0 HA MET A 110 9.014 14.103 -18.831 1.00 0.00 H new ATOM 0 HB2 MET A 110 10.193 16.415 -18.952 1.00 0.00 H new ATOM 0 HB3 MET A 110 11.186 15.842 -17.627 1.00 0.00 H new ATOM 0 HG2 MET A 110 11.704 13.796 -19.115 1.00 0.00 H new ATOM 0 HG3 MET A 110 10.991 14.711 -20.429 1.00 0.00 H new ATOM 0 HE1 MET A 110 14.302 15.807 -21.760 1.00 0.00 H new ATOM 0 HE2 MET A 110 13.433 14.261 -21.614 1.00 0.00 H new ATOM 0 HE3 MET A 110 12.547 15.742 -22.049 1.00 0.00 H new TER 1735 MET A 110