USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 462 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 78 LYS NZ :NH3+ 155:sc= 1.18 (180deg=-0.0221) USER MOD Set 1.2: A 82 GLN : amide:sc= 1.03 K(o=2.2,f=-4.7) USER MOD Set 2.1: A 29 CYS SG : rot 142:sc= -0.178 USER MOD Set 2.2: A 38 CYS SG : rot 175:sc= 1.2 USER MOD Set 2.3: A 74 CYS SG : rot -131:sc= -0.204 USER MOD Set 2.4: A 77 HIS : no HD1:sc= 1.6 K(o=2.4,f=-8.8!) USER MOD Set 3.1: A 57 GLN : amide:sc= 0.926 K(o=2,f=-3.5) USER MOD Set 3.2: A 58 LYS NZ :NH3+ 178:sc= 1.09 (180deg=0) USER MOD Set 4.1: A 30 CYS SG : rot -90:sc= -0.583 USER MOD Set 4.2: A 70 HIS : no HD1:sc= -0.668 K(o=-1.3,f=-0.24) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0128 X(o=-0.013,f=-0.013) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0367 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.695 K(o=0.7,f=-0.77) USER MOD Single : A 53 LYS NZ :NH3+ -170:sc=-0.00208 (180deg=-0.0848) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -110:sc= 0.569 (180deg=-0.519!) USER MOD Single : A 66 LYS NZ :NH3+ -152:sc= 1.26 (180deg=1.21) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0308 X(o=-0.031,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 27 -3.315 7.923 -6.691 1.00 0.00 N ATOM 48 CA GLN A 27 -4.022 9.076 -7.245 1.00 0.00 C ATOM 49 C GLN A 27 -4.908 9.734 -6.184 1.00 0.00 C ATOM 50 O GLN A 27 -6.115 9.516 -6.109 1.00 0.00 O ATOM 51 CB GLN A 27 -4.783 8.663 -8.512 1.00 0.00 C ATOM 52 CG GLN A 27 -3.820 8.612 -9.703 1.00 0.00 C ATOM 53 CD GLN A 27 -4.547 8.193 -10.969 1.00 0.00 C ATOM 54 OE1 GLN A 27 -4.849 7.031 -11.178 1.00 0.00 O ATOM 55 NE2 GLN A 27 -4.859 9.120 -11.850 1.00 0.00 N ATOM 0 HA GLN A 27 -3.304 9.839 -7.545 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.248 7.688 -8.366 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.586 9.372 -8.712 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.363 9.591 -9.848 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.012 7.911 -9.493 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.607 10.093 -11.677 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.353 8.865 -12.705 1.00 0.00 H new ATOM 64 N SER A 28 -4.268 10.567 -5.371 1.00 0.00 N ATOM 65 CA SER A 28 -4.867 11.415 -4.338 1.00 0.00 C ATOM 66 C SER A 28 -4.367 12.859 -4.485 1.00 0.00 C ATOM 67 O SER A 28 -3.345 13.098 -5.144 1.00 0.00 O ATOM 68 CB SER A 28 -4.580 10.832 -2.944 1.00 0.00 C ATOM 69 OG SER A 28 -3.257 10.319 -2.828 1.00 0.00 O ATOM 0 H SER A 28 -3.255 10.678 -5.416 1.00 0.00 H new ATOM 0 HA SER A 28 -5.950 11.436 -4.462 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.733 11.606 -2.192 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.294 10.036 -2.733 1.00 0.00 H new ATOM 0 HG SER A 28 -3.123 9.962 -1.925 1.00 0.00 H new ATOM 75 N CYS A 29 -5.124 13.817 -3.935 1.00 0.00 N ATOM 76 CA CYS A 29 -4.799 15.242 -3.904 1.00 0.00 C ATOM 77 C CYS A 29 -3.408 15.520 -3.283 1.00 0.00 C ATOM 78 O CYS A 29 -2.705 14.635 -2.783 1.00 0.00 O ATOM 79 CB CYS A 29 -5.960 15.945 -3.166 1.00 0.00 C ATOM 80 SG CYS A 29 -6.124 17.720 -3.558 1.00 0.00 S ATOM 0 H CYS A 29 -6.014 13.609 -3.483 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.710 15.643 -4.914 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.894 15.441 -3.416 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.815 15.833 -2.092 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.383 18.033 -3.635 1.00 0.00 H new ATOM 85 N CYS A 30 -2.985 16.777 -3.331 1.00 0.00 N ATOM 86 CA CYS A 30 -1.720 17.244 -2.746 1.00 0.00 C ATOM 87 C CYS A 30 -1.824 18.629 -2.087 1.00 0.00 C ATOM 88 O CYS A 30 -0.829 19.154 -1.580 1.00 0.00 O ATOM 89 CB CYS A 30 -0.640 17.214 -3.836 1.00 0.00 C ATOM 90 SG CYS A 30 0.959 16.837 -3.060 1.00 0.00 S ATOM 0 H CYS A 30 -3.517 17.520 -3.785 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.451 16.570 -1.933 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.882 16.462 -4.587 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.594 18.175 -4.349 1.00 0.00 H new ATOM 0 HG CYS A 30 1.539 17.944 -2.702 1.00 0.00 H new ATOM 96 N LEU A 31 -3.015 19.227 -2.125 1.00 0.00 N ATOM 97 CA LEU A 31 -3.296 20.485 -1.444 1.00 0.00 C ATOM 98 C LEU A 31 -3.393 20.293 0.081 1.00 0.00 C ATOM 99 O LEU A 31 -3.457 19.176 0.599 1.00 0.00 O ATOM 100 CB LEU A 31 -4.590 21.085 -2.035 1.00 0.00 C ATOM 101 CG LEU A 31 -4.409 21.538 -3.496 1.00 0.00 C ATOM 102 CD1 LEU A 31 -5.767 21.765 -4.155 1.00 0.00 C ATOM 103 CD2 LEU A 31 -3.608 22.832 -3.615 1.00 0.00 C ATOM 0 H LEU A 31 -3.814 18.848 -2.633 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.473 21.181 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.388 20.345 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.903 21.935 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.860 20.739 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.622 22.085 -5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.339 20.837 -4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.312 22.536 -3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.511 23.105 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.123 23.629 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.617 22.687 -3.185 1.00 0.00 H new ATOM 115 N ILE A 32 -3.430 21.413 0.789 1.00 0.00 N ATOM 116 CA ILE A 32 -3.631 21.536 2.228 1.00 0.00 C ATOM 117 C ILE A 32 -4.570 22.728 2.409 1.00 0.00 C ATOM 118 O ILE A 32 -4.427 23.712 1.687 1.00 0.00 O ATOM 119 CB ILE A 32 -2.275 21.791 2.923 1.00 0.00 C ATOM 120 CG1 ILE A 32 -1.279 20.633 2.674 1.00 0.00 C ATOM 121 CG2 ILE A 32 -2.442 22.069 4.427 1.00 0.00 C ATOM 122 CD1 ILE A 32 0.044 20.731 3.445 1.00 0.00 C ATOM 0 H ILE A 32 -3.312 22.323 0.343 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.052 20.632 2.668 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.854 22.690 2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.766 19.694 2.937 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.057 20.589 1.608 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.464 22.243 4.876 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.067 22.951 4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.913 21.211 4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.671 19.873 3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.561 21.649 3.166 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.159 20.740 4.516 1.00 0.00 H new ATOM 134 N GLU A 33 -5.496 22.687 3.363 1.00 0.00 N ATOM 135 CA GLU A 33 -6.403 23.808 3.637 1.00 0.00 C ATOM 136 C GLU A 33 -6.530 24.048 5.149 1.00 0.00 C ATOM 137 O GLU A 33 -6.888 23.162 5.920 1.00 0.00 O ATOM 138 CB GLU A 33 -7.732 23.595 2.900 1.00 0.00 C ATOM 139 CG GLU A 33 -8.383 24.953 2.601 1.00 0.00 C ATOM 140 CD GLU A 33 -9.579 24.880 1.643 1.00 0.00 C ATOM 141 OE1 GLU A 33 -9.759 23.845 0.949 1.00 0.00 O ATOM 142 OE2 GLU A 33 -10.262 25.922 1.543 1.00 0.00 O ATOM 0 H GLU A 33 -5.642 21.880 3.969 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.991 24.737 3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.560 23.051 1.971 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.402 22.986 3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.710 25.401 3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.631 25.618 2.176 1.00 0.00 H new ATOM 149 N ASP A 34 -6.122 25.248 5.578 1.00 0.00 N ATOM 150 CA ASP A 34 -5.969 25.707 6.982 1.00 0.00 C ATOM 151 C ASP A 34 -4.901 24.930 7.789 1.00 0.00 C ATOM 152 O ASP A 34 -4.408 25.401 8.810 1.00 0.00 O ATOM 153 CB ASP A 34 -7.327 25.806 7.721 1.00 0.00 C ATOM 154 CG ASP A 34 -7.796 27.251 7.929 1.00 0.00 C ATOM 155 OD1 ASP A 34 -7.116 28.061 8.598 1.00 0.00 O ATOM 156 OD2 ASP A 34 -8.809 27.671 7.330 1.00 0.00 O ATOM 0 H ASP A 34 -5.870 25.982 4.915 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.576 26.721 6.910 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.083 25.263 7.153 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.243 25.315 8.690 1.00 0.00 H new ATOM 161 N GLY A 35 -4.496 23.769 7.283 1.00 0.00 N ATOM 162 CA GLY A 35 -3.496 22.840 7.812 1.00 0.00 C ATOM 163 C GLY A 35 -3.890 21.375 7.589 1.00 0.00 C ATOM 164 O GLY A 35 -3.027 20.500 7.627 1.00 0.00 O ATOM 0 H GLY A 35 -4.895 23.420 6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.535 23.033 7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.364 23.020 8.879 1.00 0.00 H new ATOM 168 N GLU A 36 -5.173 21.106 7.326 1.00 0.00 N ATOM 169 CA GLU A 36 -5.665 19.776 6.966 1.00 0.00 C ATOM 170 C GLU A 36 -5.088 19.366 5.604 1.00 0.00 C ATOM 171 O GLU A 36 -5.218 20.105 4.624 1.00 0.00 O ATOM 172 CB GLU A 36 -7.202 19.806 6.922 1.00 0.00 C ATOM 173 CG GLU A 36 -7.859 18.477 6.504 1.00 0.00 C ATOM 174 CD GLU A 36 -7.593 17.317 7.475 1.00 0.00 C ATOM 175 OE1 GLU A 36 -6.410 16.911 7.579 1.00 0.00 O ATOM 176 OE2 GLU A 36 -8.573 16.814 8.075 1.00 0.00 O ATOM 0 H GLU A 36 -5.906 21.815 7.358 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.347 19.043 7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.575 20.086 7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.517 20.586 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.935 18.627 6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.496 18.200 5.514 1.00 0.00 H new ATOM 183 N ARG A 37 -4.433 18.203 5.523 1.00 0.00 N ATOM 184 CA ARG A 37 -3.797 17.725 4.284 1.00 0.00 C ATOM 185 C ARG A 37 -4.863 17.024 3.449 1.00 0.00 C ATOM 186 O ARG A 37 -5.304 15.938 3.813 1.00 0.00 O ATOM 187 CB ARG A 37 -2.603 16.814 4.637 1.00 0.00 C ATOM 188 CG ARG A 37 -1.518 16.661 3.556 1.00 0.00 C ATOM 189 CD ARG A 37 -2.014 16.232 2.169 1.00 0.00 C ATOM 190 NE ARG A 37 -0.954 15.516 1.419 1.00 0.00 N ATOM 191 CZ ARG A 37 -0.906 14.219 1.177 1.00 0.00 C ATOM 192 NH1 ARG A 37 -1.885 13.430 1.500 1.00 0.00 N ATOM 193 NH2 ARG A 37 0.140 13.677 0.625 1.00 0.00 N ATOM 0 H ARG A 37 -4.327 17.565 6.312 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.393 18.546 3.692 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.133 17.201 5.541 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.988 15.823 4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.995 17.612 3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.787 15.930 3.902 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.887 15.588 2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.332 17.109 1.606 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.187 16.081 1.054 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.717 13.809 1.952 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.822 12.431 1.302 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.941 14.256 0.372 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.159 12.673 0.446 1.00 0.00 H new ATOM 207 N CYS A 38 -5.256 17.603 2.317 1.00 0.00 N ATOM 208 CA CYS A 38 -6.247 17.000 1.433 1.00 0.00 C ATOM 209 C CYS A 38 -5.808 15.579 1.009 1.00 0.00 C ATOM 210 O CYS A 38 -4.707 15.351 0.500 1.00 0.00 O ATOM 211 CB CYS A 38 -6.503 17.954 0.260 1.00 0.00 C ATOM 212 SG CYS A 38 -8.161 17.643 -0.430 1.00 0.00 S ATOM 0 H CYS A 38 -4.897 18.500 1.989 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.197 16.861 1.949 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.426 18.988 0.596 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.745 17.811 -0.510 1.00 0.00 H new ATOM 0 HG CYS A 38 -8.420 18.523 -1.351 1.00 0.00 H new ATOM 217 N VAL A 39 -6.682 14.601 1.245 1.00 0.00 N ATOM 218 CA VAL A 39 -6.480 13.177 0.904 1.00 0.00 C ATOM 219 C VAL A 39 -7.562 12.642 -0.036 1.00 0.00 C ATOM 220 O VAL A 39 -7.577 11.452 -0.358 1.00 0.00 O ATOM 221 CB VAL A 39 -6.367 12.286 2.161 1.00 0.00 C ATOM 222 CG1 VAL A 39 -5.071 12.547 2.931 1.00 0.00 C ATOM 223 CG2 VAL A 39 -7.566 12.428 3.110 1.00 0.00 C ATOM 0 H VAL A 39 -7.582 14.775 1.693 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.529 13.131 0.373 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.359 11.263 1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.032 11.900 3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.217 12.338 2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.040 13.589 3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.426 11.777 3.973 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.644 13.462 3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.480 12.146 2.587 1.00 0.00 H new ATOM 233 N ARG A 40 -8.472 13.508 -0.504 1.00 0.00 N ATOM 234 CA ARG A 40 -9.504 13.141 -1.484 1.00 0.00 C ATOM 235 C ARG A 40 -8.872 12.498 -2.740 1.00 0.00 C ATOM 236 O ARG A 40 -7.741 12.842 -3.103 1.00 0.00 O ATOM 237 CB ARG A 40 -10.340 14.379 -1.847 1.00 0.00 C ATOM 238 CG ARG A 40 -11.280 14.878 -0.735 1.00 0.00 C ATOM 239 CD ARG A 40 -12.284 15.890 -1.327 1.00 0.00 C ATOM 240 NE ARG A 40 -13.260 16.464 -0.368 1.00 0.00 N ATOM 241 CZ ARG A 40 -14.225 15.842 0.289 1.00 0.00 C ATOM 242 NH1 ARG A 40 -14.341 14.543 0.276 1.00 0.00 N ATOM 243 NH2 ARG A 40 -15.117 16.517 0.960 1.00 0.00 N ATOM 0 H ARG A 40 -8.513 14.485 -0.213 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.165 12.397 -1.039 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.663 15.189 -2.120 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.936 14.150 -2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.813 14.038 -0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.702 15.346 0.062 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.723 16.708 -1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.836 15.400 -2.129 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.176 17.465 -0.193 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.676 13.977 -0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.096 14.093 0.793 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.075 17.536 0.982 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.856 16.026 1.463 1.00 0.00 H new ATOM 257 N PRO A 41 -9.580 11.569 -3.416 1.00 0.00 N ATOM 258 CA PRO A 41 -9.079 10.932 -4.631 1.00 0.00 C ATOM 259 C PRO A 41 -8.868 11.984 -5.723 1.00 0.00 C ATOM 260 O PRO A 41 -9.720 12.852 -5.918 1.00 0.00 O ATOM 261 CB PRO A 41 -10.132 9.892 -5.029 1.00 0.00 C ATOM 262 CG PRO A 41 -11.421 10.429 -4.409 1.00 0.00 C ATOM 263 CD PRO A 41 -10.935 11.114 -3.132 1.00 0.00 C ATOM 0 HA PRO A 41 -8.113 10.451 -4.478 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.216 9.801 -6.112 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.884 8.903 -4.644 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.927 11.129 -5.074 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.128 9.628 -4.192 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.581 11.951 -2.867 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.947 10.423 -2.289 1.00 0.00 H new ATOM 271 N ALA A 42 -7.723 11.927 -6.405 1.00 0.00 N ATOM 272 CA ALA A 42 -7.429 12.846 -7.500 1.00 0.00 C ATOM 273 C ALA A 42 -8.386 12.627 -8.686 1.00 0.00 C ATOM 274 O ALA A 42 -8.926 11.536 -8.877 1.00 0.00 O ATOM 275 CB ALA A 42 -5.961 12.707 -7.922 1.00 0.00 C ATOM 0 H ALA A 42 -6.983 11.251 -6.216 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.588 13.866 -7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.751 13.396 -8.740 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.315 12.940 -7.075 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.772 11.685 -8.251 1.00 0.00 H new ATOM 281 N GLY A 43 -8.551 13.661 -9.508 1.00 0.00 N ATOM 282 CA GLY A 43 -9.388 13.617 -10.706 1.00 0.00 C ATOM 283 C GLY A 43 -8.636 14.069 -11.955 1.00 0.00 C ATOM 284 O GLY A 43 -7.407 14.123 -11.985 1.00 0.00 O ATOM 0 H GLY A 43 -8.102 14.565 -9.359 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.755 12.601 -10.853 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.261 14.253 -10.560 1.00 0.00 H new ATOM 288 N ASN A 44 -9.394 14.425 -12.992 1.00 0.00 N ATOM 289 CA ASN A 44 -8.907 14.981 -14.262 1.00 0.00 C ATOM 290 C ASN A 44 -8.360 16.426 -14.109 1.00 0.00 C ATOM 291 O ASN A 44 -8.695 17.319 -14.890 1.00 0.00 O ATOM 292 CB ASN A 44 -10.058 14.883 -15.286 1.00 0.00 C ATOM 293 CG ASN A 44 -10.598 13.471 -15.417 1.00 0.00 C ATOM 294 OD1 ASN A 44 -9.901 12.552 -15.801 1.00 0.00 O ATOM 295 ND2 ASN A 44 -11.840 13.232 -15.059 1.00 0.00 N ATOM 0 H ASN A 44 -10.409 14.331 -12.973 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.052 14.404 -14.615 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.865 15.551 -14.986 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.705 15.226 -16.259 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.210 12.283 -15.105 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -12.433 13.996 -14.735 1.00 0.00 H new ATOM 302 N ALA A 45 -7.562 16.687 -13.069 1.00 0.00 N ATOM 303 CA ALA A 45 -7.058 18.002 -12.687 1.00 0.00 C ATOM 304 C ALA A 45 -5.582 17.962 -12.258 1.00 0.00 C ATOM 305 O ALA A 45 -5.114 16.991 -11.664 1.00 0.00 O ATOM 306 CB ALA A 45 -7.925 18.505 -11.522 1.00 0.00 C ATOM 0 H ALA A 45 -7.237 15.950 -12.444 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.114 18.668 -13.548 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.577 19.489 -11.208 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.964 18.573 -11.845 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.850 17.810 -10.686 1.00 0.00 H new ATOM 312 N SER A 46 -4.852 19.054 -12.505 1.00 0.00 N ATOM 313 CA SER A 46 -3.471 19.221 -12.038 1.00 0.00 C ATOM 314 C SER A 46 -3.172 20.666 -11.624 1.00 0.00 C ATOM 315 O SER A 46 -3.879 21.598 -12.010 1.00 0.00 O ATOM 316 CB SER A 46 -2.444 18.738 -13.069 1.00 0.00 C ATOM 317 OG SER A 46 -2.490 19.548 -14.223 1.00 0.00 O ATOM 0 H SER A 46 -5.203 19.851 -13.037 1.00 0.00 H new ATOM 0 HA SER A 46 -3.377 18.590 -11.154 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.444 18.766 -12.637 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.647 17.701 -13.336 1.00 0.00 H new ATOM 0 HG SER A 46 -1.828 19.230 -14.872 1.00 0.00 H new ATOM 323 N PHE A 47 -2.097 20.859 -10.860 1.00 0.00 N ATOM 324 CA PHE A 47 -1.702 22.119 -10.222 1.00 0.00 C ATOM 325 C PHE A 47 -0.568 22.874 -10.944 1.00 0.00 C ATOM 326 O PHE A 47 0.433 23.276 -10.346 1.00 0.00 O ATOM 327 CB PHE A 47 -1.398 21.825 -8.743 1.00 0.00 C ATOM 328 CG PHE A 47 -1.609 23.028 -7.860 1.00 0.00 C ATOM 329 CD1 PHE A 47 -2.915 23.354 -7.465 1.00 0.00 C ATOM 330 CD2 PHE A 47 -0.524 23.818 -7.434 1.00 0.00 C ATOM 331 CE1 PHE A 47 -3.135 24.447 -6.617 1.00 0.00 C ATOM 332 CE2 PHE A 47 -0.751 24.935 -6.612 1.00 0.00 C ATOM 333 CZ PHE A 47 -2.054 25.234 -6.184 1.00 0.00 C ATOM 0 H PHE A 47 -1.443 20.103 -10.658 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.533 22.821 -10.295 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.035 21.010 -8.400 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.367 21.485 -8.648 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.749 22.763 -7.814 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.481 23.566 -7.739 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.138 24.686 -6.295 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.075 25.562 -6.310 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.226 26.069 -5.521 1.00 0.00 H new ATOM 343 N SER A 48 -0.689 23.067 -12.261 1.00 0.00 N ATOM 344 CA SER A 48 0.287 23.862 -13.031 1.00 0.00 C ATOM 345 C SER A 48 0.281 25.364 -12.675 1.00 0.00 C ATOM 346 O SER A 48 -0.636 25.886 -12.035 1.00 0.00 O ATOM 347 CB SER A 48 0.062 23.677 -14.535 1.00 0.00 C ATOM 348 OG SER A 48 1.221 24.078 -15.246 1.00 0.00 O ATOM 0 H SER A 48 -1.452 22.686 -12.821 1.00 0.00 H new ATOM 0 HA SER A 48 1.270 23.482 -12.753 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.166 22.634 -14.752 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.796 24.265 -14.859 1.00 0.00 H new ATOM 0 HG SER A 48 1.074 23.956 -16.207 1.00 0.00 H new ATOM 354 N LYS A 49 1.267 26.107 -13.193 1.00 0.00 N ATOM 355 CA LYS A 49 1.448 27.573 -13.085 1.00 0.00 C ATOM 356 C LYS A 49 0.169 28.401 -13.313 1.00 0.00 C ATOM 357 O LYS A 49 -0.049 29.418 -12.651 1.00 0.00 O ATOM 358 CB LYS A 49 2.544 27.973 -14.092 1.00 0.00 C ATOM 359 CG LYS A 49 3.974 27.655 -13.607 1.00 0.00 C ATOM 360 CD LYS A 49 4.502 28.703 -12.611 1.00 0.00 C ATOM 361 CE LYS A 49 5.815 28.281 -11.932 1.00 0.00 C ATOM 362 NZ LYS A 49 6.976 28.263 -12.864 1.00 0.00 N ATOM 0 H LYS A 49 2.015 25.677 -13.737 1.00 0.00 H new ATOM 0 HA LYS A 49 1.732 27.800 -12.057 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.366 27.456 -15.035 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.467 29.041 -14.295 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.985 26.672 -13.136 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.643 27.604 -14.466 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.657 29.647 -13.134 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.746 28.883 -11.847 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.028 28.964 -11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.690 27.289 -11.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.831 27.971 -12.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.791 27.591 -13.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.118 29.214 -13.260 1.00 0.00 H new ATOM 376 N ARG A 50 -0.696 27.943 -14.225 1.00 0.00 N ATOM 377 CA ARG A 50 -2.014 28.532 -14.537 1.00 0.00 C ATOM 378 C ARG A 50 -2.972 28.532 -13.340 1.00 0.00 C ATOM 379 O ARG A 50 -3.713 29.499 -13.149 1.00 0.00 O ATOM 380 CB ARG A 50 -2.587 27.760 -15.743 1.00 0.00 C ATOM 381 CG ARG A 50 -3.905 28.304 -16.316 1.00 0.00 C ATOM 382 CD ARG A 50 -5.172 27.798 -15.601 1.00 0.00 C ATOM 383 NE ARG A 50 -6.383 28.151 -16.365 1.00 0.00 N ATOM 384 CZ ARG A 50 -6.939 29.342 -16.486 1.00 0.00 C ATOM 385 NH1 ARG A 50 -6.570 30.364 -15.761 1.00 0.00 N ATOM 386 NH2 ARG A 50 -7.896 29.522 -17.351 1.00 0.00 N ATOM 0 H ARG A 50 -0.494 27.119 -14.791 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.892 29.587 -14.783 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.840 27.757 -16.537 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.742 26.722 -15.447 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.886 29.393 -16.266 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.966 28.034 -17.370 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.117 26.716 -15.477 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.228 28.231 -14.602 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.845 27.386 -16.857 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.827 30.258 -15.071 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.025 31.268 -15.885 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -8.212 28.745 -17.931 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -8.329 30.440 -17.449 1.00 0.00 H new ATOM 400 N VAL A 51 -2.968 27.448 -12.567 1.00 0.00 N ATOM 401 CA VAL A 51 -3.815 27.232 -11.384 1.00 0.00 C ATOM 402 C VAL A 51 -3.199 27.960 -10.191 1.00 0.00 C ATOM 403 O VAL A 51 -3.892 28.744 -9.544 1.00 0.00 O ATOM 404 CB VAL A 51 -3.968 25.722 -11.100 1.00 0.00 C ATOM 405 CG1 VAL A 51 -4.990 25.461 -9.994 1.00 0.00 C ATOM 406 CG2 VAL A 51 -4.455 24.994 -12.361 1.00 0.00 C ATOM 0 H VAL A 51 -2.349 26.659 -12.752 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.812 27.633 -11.566 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.990 25.355 -10.789 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.072 24.388 -9.820 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.667 25.953 -9.077 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.961 25.855 -10.295 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.559 23.930 -12.149 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.420 25.400 -12.666 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.732 25.135 -13.165 1.00 0.00 H new ATOM 416 N GLN A 52 -1.881 27.812 -10.003 1.00 0.00 N ATOM 417 CA GLN A 52 -1.084 28.524 -8.996 1.00 0.00 C ATOM 418 C GLN A 52 -1.368 30.038 -9.034 1.00 0.00 C ATOM 419 O GLN A 52 -1.683 30.636 -8.008 1.00 0.00 O ATOM 420 CB GLN A 52 0.416 28.254 -9.246 1.00 0.00 C ATOM 421 CG GLN A 52 0.868 26.801 -9.028 1.00 0.00 C ATOM 422 CD GLN A 52 2.223 26.467 -9.663 1.00 0.00 C ATOM 423 OE1 GLN A 52 3.069 27.308 -9.943 1.00 0.00 O ATOM 424 NE2 GLN A 52 2.471 25.215 -9.967 1.00 0.00 N ATOM 0 H GLN A 52 -1.322 27.172 -10.567 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.361 28.158 -8.007 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.654 28.541 -10.270 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.999 28.901 -8.590 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.922 26.605 -7.957 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.112 26.131 -9.437 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.787 24.492 -9.747 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.348 24.965 -10.423 1.00 0.00 H new ATOM 433 N LYS A 53 -1.349 30.674 -10.218 1.00 0.00 N ATOM 434 CA LYS A 53 -1.684 32.104 -10.365 1.00 0.00 C ATOM 435 C LYS A 53 -3.135 32.458 -10.028 1.00 0.00 C ATOM 436 O LYS A 53 -3.365 33.473 -9.380 1.00 0.00 O ATOM 437 CB LYS A 53 -1.341 32.600 -11.772 1.00 0.00 C ATOM 438 CG LYS A 53 0.158 32.898 -11.894 1.00 0.00 C ATOM 439 CD LYS A 53 0.423 33.582 -13.238 1.00 0.00 C ATOM 440 CE LYS A 53 1.879 34.052 -13.380 1.00 0.00 C ATOM 441 NZ LYS A 53 2.218 35.134 -12.415 1.00 0.00 N ATOM 0 H LYS A 53 -1.103 30.216 -11.096 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.070 32.615 -9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.628 31.848 -12.507 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.915 33.500 -11.995 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.482 33.540 -11.075 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.732 31.974 -11.822 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.187 32.891 -14.047 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.244 34.437 -13.345 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.549 33.206 -13.225 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.046 34.409 -14.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.147 35.536 -12.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.495 35.880 -12.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.249 34.743 -11.452 1.00 0.00 H new ATOM 455 N SER A 54 -4.111 31.654 -10.454 1.00 0.00 N ATOM 456 CA SER A 54 -5.526 31.864 -10.067 1.00 0.00 C ATOM 457 C SER A 54 -5.753 31.885 -8.552 1.00 0.00 C ATOM 458 O SER A 54 -6.621 32.620 -8.084 1.00 0.00 O ATOM 459 CB SER A 54 -6.450 30.797 -10.665 1.00 0.00 C ATOM 460 OG SER A 54 -7.150 31.353 -11.770 1.00 0.00 O ATOM 0 H SER A 54 -3.959 30.852 -11.065 1.00 0.00 H new ATOM 0 HA SER A 54 -5.769 32.847 -10.470 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.868 29.933 -10.985 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.155 30.445 -9.912 1.00 0.00 H new ATOM 0 HG SER A 54 -7.741 30.674 -12.158 1.00 0.00 H new ATOM 466 N ILE A 55 -4.983 31.092 -7.805 1.00 0.00 N ATOM 467 CA ILE A 55 -5.042 31.024 -6.340 1.00 0.00 C ATOM 468 C ILE A 55 -4.230 32.165 -5.713 1.00 0.00 C ATOM 469 O ILE A 55 -4.709 32.836 -4.805 1.00 0.00 O ATOM 470 CB ILE A 55 -4.524 29.660 -5.858 1.00 0.00 C ATOM 471 CG1 ILE A 55 -5.431 28.547 -6.415 1.00 0.00 C ATOM 472 CG2 ILE A 55 -4.545 29.591 -4.325 1.00 0.00 C ATOM 473 CD1 ILE A 55 -4.752 27.195 -6.299 1.00 0.00 C ATOM 0 H ILE A 55 -4.286 30.465 -8.208 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.079 31.136 -6.024 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.501 29.529 -6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.375 28.533 -5.870 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.668 28.752 -7.459 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.175 28.619 -3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.909 30.376 -3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.566 29.729 -3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.409 26.422 -6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.820 27.206 -6.864 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.538 26.984 -5.251 1.00 0.00 H new ATOM 485 N SER A 56 -3.035 32.440 -6.247 1.00 0.00 N ATOM 486 CA SER A 56 -2.155 33.543 -5.835 1.00 0.00 C ATOM 487 C SER A 56 -2.871 34.896 -5.849 1.00 0.00 C ATOM 488 O SER A 56 -2.856 35.604 -4.847 1.00 0.00 O ATOM 489 CB SER A 56 -0.951 33.575 -6.774 1.00 0.00 C ATOM 490 OG SER A 56 -0.055 34.627 -6.485 1.00 0.00 O ATOM 0 H SER A 56 -2.639 31.883 -7.004 1.00 0.00 H new ATOM 0 HA SER A 56 -1.839 33.367 -4.807 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.421 32.625 -6.709 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.301 33.675 -7.801 1.00 0.00 H new ATOM 0 HG SER A 56 0.696 34.599 -7.114 1.00 0.00 H new ATOM 496 N GLN A 57 -3.605 35.213 -6.925 1.00 0.00 N ATOM 497 CA GLN A 57 -4.430 36.428 -7.024 1.00 0.00 C ATOM 498 C GLN A 57 -5.612 36.457 -6.023 1.00 0.00 C ATOM 499 O GLN A 57 -6.302 37.468 -5.910 1.00 0.00 O ATOM 500 CB GLN A 57 -4.942 36.553 -8.472 1.00 0.00 C ATOM 501 CG GLN A 57 -5.374 37.983 -8.858 1.00 0.00 C ATOM 502 CD GLN A 57 -6.231 38.024 -10.117 1.00 0.00 C ATOM 503 OE1 GLN A 57 -7.162 37.243 -10.296 1.00 0.00 O ATOM 504 NE2 GLN A 57 -6.002 38.965 -11.006 1.00 0.00 N ATOM 0 H GLN A 57 -3.644 34.628 -7.760 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.803 37.279 -6.759 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.158 36.223 -9.154 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.788 35.879 -8.608 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.930 38.425 -8.031 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.486 38.597 -9.009 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -5.232 39.620 -10.869 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.594 39.040 -11.833 1.00 0.00 H new ATOM 513 N LYS A 58 -5.887 35.347 -5.325 1.00 0.00 N ATOM 514 CA LYS A 58 -7.028 35.155 -4.401 1.00 0.00 C ATOM 515 C LYS A 58 -6.604 34.952 -2.943 1.00 0.00 C ATOM 516 O LYS A 58 -7.448 35.046 -2.061 1.00 0.00 O ATOM 517 CB LYS A 58 -7.885 33.964 -4.886 1.00 0.00 C ATOM 518 CG LYS A 58 -8.995 34.317 -5.890 1.00 0.00 C ATOM 519 CD LYS A 58 -8.604 35.331 -6.973 1.00 0.00 C ATOM 520 CE LYS A 58 -9.733 35.589 -7.969 1.00 0.00 C ATOM 521 NZ LYS A 58 -9.459 36.826 -8.740 1.00 0.00 N ATOM 0 H LYS A 58 -5.297 34.517 -5.387 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.614 36.074 -4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.226 33.226 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.341 33.489 -4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.326 33.400 -6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.849 34.711 -5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.319 36.271 -6.500 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.728 34.966 -7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.830 34.742 -8.648 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.681 35.684 -7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.215 36.975 -9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.422 37.638 -8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.547 36.734 -9.232 1.00 0.00 H new ATOM 535 N LYS A 59 -5.311 34.713 -2.685 1.00 0.00 N ATOM 536 CA LYS A 59 -4.694 34.552 -1.350 1.00 0.00 C ATOM 537 C LYS A 59 -5.435 33.550 -0.435 1.00 0.00 C ATOM 538 O LYS A 59 -5.568 33.775 0.767 1.00 0.00 O ATOM 539 CB LYS A 59 -4.510 35.947 -0.717 1.00 0.00 C ATOM 540 CG LYS A 59 -3.382 35.984 0.331 1.00 0.00 C ATOM 541 CD LYS A 59 -3.452 37.223 1.237 1.00 0.00 C ATOM 542 CE LYS A 59 -3.303 38.535 0.457 1.00 0.00 C ATOM 543 NZ LYS A 59 -3.400 39.714 1.356 1.00 0.00 N ATOM 0 H LYS A 59 -4.627 34.621 -3.436 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.714 34.092 -1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.294 36.671 -1.502 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.445 36.254 -0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.434 35.086 0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.418 35.966 -0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.404 37.227 1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.667 37.162 1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.343 38.547 -0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.076 38.595 -0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.295 40.585 0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.326 39.715 1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.646 39.668 2.071 1.00 0.00 H new ATOM 557 N LEU A 60 -5.953 32.467 -1.017 1.00 0.00 N ATOM 558 CA LEU A 60 -6.588 31.351 -0.301 1.00 0.00 C ATOM 559 C LEU A 60 -5.548 30.594 0.547 1.00 0.00 C ATOM 560 O LEU A 60 -4.370 30.571 0.196 1.00 0.00 O ATOM 561 CB LEU A 60 -7.213 30.393 -1.334 1.00 0.00 C ATOM 562 CG LEU A 60 -8.443 30.919 -2.090 1.00 0.00 C ATOM 563 CD1 LEU A 60 -8.788 29.959 -3.232 1.00 0.00 C ATOM 564 CD2 LEU A 60 -9.659 31.065 -1.178 1.00 0.00 C ATOM 0 H LEU A 60 -5.944 32.335 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.358 31.739 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.448 30.131 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.493 29.473 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.193 31.906 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.660 30.331 -3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.943 29.889 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.007 28.972 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.504 31.440 -1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.913 30.094 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.430 31.765 -0.375 1.00 0.00 H new ATOM 576 N LYS A 61 -5.985 29.909 1.613 1.00 0.00 N ATOM 577 CA LYS A 61 -5.129 29.055 2.467 1.00 0.00 C ATOM 578 C LYS A 61 -4.787 27.684 1.842 1.00 0.00 C ATOM 579 O LYS A 61 -4.685 26.693 2.560 1.00 0.00 O ATOM 580 CB LYS A 61 -5.774 28.847 3.847 1.00 0.00 C ATOM 581 CG LYS A 61 -6.070 30.120 4.655 1.00 0.00 C ATOM 582 CD LYS A 61 -6.101 29.709 6.131 1.00 0.00 C ATOM 583 CE LYS A 61 -6.821 30.677 7.073 1.00 0.00 C ATOM 584 NZ LYS A 61 -8.238 30.283 7.240 1.00 0.00 N ATOM 0 H LYS A 61 -6.959 29.929 1.916 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.188 29.595 2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.708 28.303 3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.118 28.210 4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.304 30.876 4.480 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.023 30.556 4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.579 28.733 6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.075 29.589 6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.324 30.687 8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.764 31.690 6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.850 30.978 6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.389 29.344 6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.472 30.249 8.253 1.00 0.00 H new ATOM 598 N LEU A 62 -4.691 27.611 0.514 1.00 0.00 N ATOM 599 CA LEU A 62 -4.404 26.377 -0.224 1.00 0.00 C ATOM 600 C LEU A 62 -2.880 26.158 -0.321 1.00 0.00 C ATOM 601 O LEU A 62 -2.251 26.652 -1.257 1.00 0.00 O ATOM 602 CB LEU A 62 -5.094 26.403 -1.604 1.00 0.00 C ATOM 603 CG LEU A 62 -6.627 26.335 -1.581 1.00 0.00 C ATOM 604 CD1 LEU A 62 -7.122 26.438 -3.025 1.00 0.00 C ATOM 605 CD2 LEU A 62 -7.165 25.037 -0.989 1.00 0.00 C ATOM 0 H LEU A 62 -4.813 28.423 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.815 25.524 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.797 27.315 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.720 25.566 -2.193 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.983 27.151 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.211 26.392 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.792 27.383 -3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.716 25.612 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.255 25.055 -1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.808 24.193 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.817 24.934 0.039 1.00 0.00 H new ATOM 617 N ASP A 63 -2.293 25.482 0.672 1.00 0.00 N ATOM 618 CA ASP A 63 -0.852 25.168 0.713 1.00 0.00 C ATOM 619 C ASP A 63 -0.539 23.866 -0.057 1.00 0.00 C ATOM 620 O ASP A 63 -1.440 23.163 -0.522 1.00 0.00 O ATOM 621 CB ASP A 63 -0.334 25.154 2.167 1.00 0.00 C ATOM 622 CG ASP A 63 1.109 25.656 2.303 1.00 0.00 C ATOM 623 OD1 ASP A 63 2.025 24.943 1.829 1.00 0.00 O ATOM 624 OD2 ASP A 63 1.299 26.749 2.874 1.00 0.00 O ATOM 0 H ASP A 63 -2.806 25.132 1.481 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.309 25.960 0.198 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.986 25.773 2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.396 24.138 2.558 1.00 0.00 H new ATOM 629 N ILE A 64 0.743 23.512 -0.186 1.00 0.00 N ATOM 630 CA ILE A 64 1.209 22.389 -1.016 1.00 0.00 C ATOM 631 C ILE A 64 2.076 21.398 -0.244 1.00 0.00 C ATOM 632 O ILE A 64 3.155 21.722 0.260 1.00 0.00 O ATOM 633 CB ILE A 64 1.968 22.918 -2.263 1.00 0.00 C ATOM 634 CG1 ILE A 64 1.103 23.854 -3.141 1.00 0.00 C ATOM 635 CG2 ILE A 64 2.521 21.767 -3.130 1.00 0.00 C ATOM 636 CD1 ILE A 64 -0.091 23.167 -3.813 1.00 0.00 C ATOM 0 H ILE A 64 1.500 24.003 0.289 1.00 0.00 H new ATOM 0 HA ILE A 64 0.321 21.844 -1.336 1.00 0.00 H new ATOM 0 HB ILE A 64 2.801 23.500 -1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.735 24.674 -2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.734 24.295 -3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.045 22.180 -3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.212 21.166 -2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.697 21.141 -3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.642 23.895 -4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.267 22.366 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.748 22.751 -3.050 1.00 0.00 H new ATOM 648 N ASP A 65 1.631 20.145 -0.190 1.00 0.00 N ATOM 649 CA ASP A 65 2.420 19.057 0.377 1.00 0.00 C ATOM 650 C ASP A 65 3.650 18.749 -0.508 1.00 0.00 C ATOM 651 O ASP A 65 3.534 18.512 -1.711 1.00 0.00 O ATOM 652 CB ASP A 65 1.533 17.821 0.559 1.00 0.00 C ATOM 653 CG ASP A 65 2.372 16.580 0.843 1.00 0.00 C ATOM 654 OD1 ASP A 65 3.339 16.693 1.628 1.00 0.00 O ATOM 655 OD2 ASP A 65 2.083 15.523 0.243 1.00 0.00 O ATOM 0 H ASP A 65 0.716 19.857 -0.537 1.00 0.00 H new ATOM 0 HA ASP A 65 2.796 19.359 1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.836 17.988 1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.936 17.662 -0.339 1.00 0.00 H new ATOM 660 N LYS A 66 4.849 18.731 0.085 1.00 0.00 N ATOM 661 CA LYS A 66 6.079 18.345 -0.605 1.00 0.00 C ATOM 662 C LYS A 66 6.366 16.838 -0.553 1.00 0.00 C ATOM 663 O LYS A 66 7.200 16.391 -1.332 1.00 0.00 O ATOM 664 CB LYS A 66 7.248 19.164 -0.034 1.00 0.00 C ATOM 665 CG LYS A 66 7.483 20.480 -0.790 1.00 0.00 C ATOM 666 CD LYS A 66 6.431 21.604 -0.712 1.00 0.00 C ATOM 667 CE LYS A 66 6.501 22.471 0.559 1.00 0.00 C ATOM 668 NZ LYS A 66 5.505 22.089 1.589 1.00 0.00 N ATOM 0 H LYS A 66 4.991 18.986 1.062 1.00 0.00 H new ATOM 0 HA LYS A 66 5.951 18.568 -1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.052 19.384 1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.157 18.563 -0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.428 20.894 -0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.616 20.231 -1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.546 22.251 -1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.439 21.158 -0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.501 22.396 0.986 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.348 23.515 0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.264 22.921 2.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.647 21.728 1.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.905 21.349 2.201 1.00 0.00 H new ATOM 682 N SER A 67 5.698 16.061 0.303 1.00 0.00 N ATOM 683 CA SER A 67 5.955 14.627 0.536 1.00 0.00 C ATOM 684 C SER A 67 5.936 13.785 -0.747 1.00 0.00 C ATOM 685 O SER A 67 6.837 12.987 -0.988 1.00 0.00 O ATOM 686 CB SER A 67 4.922 14.098 1.542 1.00 0.00 C ATOM 687 OG SER A 67 5.237 12.786 1.945 1.00 0.00 O ATOM 0 H SER A 67 4.935 16.421 0.876 1.00 0.00 H new ATOM 0 HA SER A 67 6.965 14.534 0.935 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.889 14.752 2.413 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.929 14.116 1.093 1.00 0.00 H new ATOM 0 HG SER A 67 4.566 12.471 2.586 1.00 0.00 H new ATOM 693 N VAL A 68 4.958 14.035 -1.627 1.00 0.00 N ATOM 694 CA VAL A 68 4.749 13.254 -2.866 1.00 0.00 C ATOM 695 C VAL A 68 5.274 13.981 -4.120 1.00 0.00 C ATOM 696 O VAL A 68 5.310 13.396 -5.198 1.00 0.00 O ATOM 697 CB VAL A 68 3.256 12.850 -3.006 1.00 0.00 C ATOM 698 CG1 VAL A 68 3.034 11.738 -4.043 1.00 0.00 C ATOM 699 CG2 VAL A 68 2.683 12.312 -1.684 1.00 0.00 C ATOM 0 H VAL A 68 4.282 14.789 -1.504 1.00 0.00 H new ATOM 0 HA VAL A 68 5.340 12.342 -2.784 1.00 0.00 H new ATOM 0 HB VAL A 68 2.755 13.767 -3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.972 11.498 -4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.380 12.077 -5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.593 10.849 -3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.637 12.041 -1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.247 11.433 -1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.758 13.081 -0.915 1.00 0.00 H new ATOM 709 N ARG A 69 5.680 15.258 -4.008 1.00 0.00 N ATOM 710 CA ARG A 69 6.119 16.181 -5.093 1.00 0.00 C ATOM 711 C ARG A 69 5.298 16.163 -6.409 1.00 0.00 C ATOM 712 O ARG A 69 5.761 16.688 -7.419 1.00 0.00 O ATOM 713 CB ARG A 69 7.636 16.020 -5.360 1.00 0.00 C ATOM 714 CG ARG A 69 8.513 16.325 -4.133 1.00 0.00 C ATOM 715 CD ARG A 69 9.998 16.528 -4.475 1.00 0.00 C ATOM 716 NE ARG A 69 10.653 15.281 -4.926 1.00 0.00 N ATOM 717 CZ ARG A 69 11.862 15.157 -5.453 1.00 0.00 C ATOM 718 NH1 ARG A 69 12.636 16.185 -5.674 1.00 0.00 N ATOM 719 NH2 ARG A 69 12.323 13.979 -5.768 1.00 0.00 N ATOM 0 H ARG A 69 5.716 15.714 -3.096 1.00 0.00 H new ATOM 0 HA ARG A 69 5.908 17.174 -4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.832 15.000 -5.692 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.925 16.682 -6.176 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.136 17.222 -3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.422 15.507 -3.419 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.087 17.284 -5.255 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.520 16.912 -3.598 1.00 0.00 H new ATOM 0 HE ARG A 69 10.114 14.421 -4.819 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.316 17.124 -5.439 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.561 16.049 -6.082 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.752 13.149 -5.609 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.254 13.888 -6.174 1.00 0.00 H new ATOM 733 N HIS A 70 4.092 15.587 -6.423 1.00 0.00 N ATOM 734 CA HIS A 70 3.225 15.476 -7.607 1.00 0.00 C ATOM 735 C HIS A 70 2.284 16.685 -7.725 1.00 0.00 C ATOM 736 O HIS A 70 1.969 17.311 -6.720 1.00 0.00 O ATOM 737 CB HIS A 70 2.508 14.099 -7.620 1.00 0.00 C ATOM 738 CG HIS A 70 1.402 13.803 -6.610 1.00 0.00 C ATOM 739 ND1 HIS A 70 0.601 12.666 -6.605 1.00 0.00 N ATOM 740 CD2 HIS A 70 0.975 14.584 -5.570 1.00 0.00 C ATOM 741 CE1 HIS A 70 -0.313 12.789 -5.618 1.00 0.00 C ATOM 742 NE2 HIS A 70 -0.094 13.943 -4.964 1.00 0.00 N ATOM 0 H HIS A 70 3.677 15.172 -5.588 1.00 0.00 H new ATOM 0 HA HIS A 70 3.834 15.507 -8.510 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.083 13.965 -8.615 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.274 13.334 -7.495 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.397 15.533 -5.274 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.092 12.077 -5.391 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.622 14.287 -4.162 1.00 0.00 H new ATOM 751 N LEU A 71 1.780 16.985 -8.925 1.00 0.00 N ATOM 752 CA LEU A 71 0.908 18.144 -9.178 1.00 0.00 C ATOM 753 C LEU A 71 -0.561 17.731 -9.367 1.00 0.00 C ATOM 754 O LEU A 71 -1.221 18.254 -10.259 1.00 0.00 O ATOM 755 CB LEU A 71 1.423 18.959 -10.389 1.00 0.00 C ATOM 756 CG LEU A 71 2.868 19.477 -10.293 1.00 0.00 C ATOM 757 CD1 LEU A 71 3.205 20.275 -11.555 1.00 0.00 C ATOM 758 CD2 LEU A 71 3.080 20.397 -9.091 1.00 0.00 C ATOM 0 H LEU A 71 1.965 16.427 -9.759 1.00 0.00 H new ATOM 0 HA LEU A 71 0.945 18.781 -8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.340 18.337 -11.281 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.762 19.813 -10.533 1.00 0.00 H new ATOM 0 HG LEU A 71 3.512 18.605 -10.182 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.229 20.644 -11.490 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.106 19.632 -12.429 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.521 21.119 -11.646 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.116 20.735 -9.070 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.419 21.260 -9.172 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.856 19.854 -8.173 1.00 0.00 H new ATOM 770 N TYR A 72 -1.064 16.774 -8.583 1.00 0.00 N ATOM 771 CA TYR A 72 -2.447 16.281 -8.678 1.00 0.00 C ATOM 772 C TYR A 72 -3.350 16.874 -7.598 1.00 0.00 C ATOM 773 O TYR A 72 -2.895 17.139 -6.486 1.00 0.00 O ATOM 774 CB TYR A 72 -2.460 14.749 -8.597 1.00 0.00 C ATOM 775 CG TYR A 72 -2.091 14.099 -9.913 1.00 0.00 C ATOM 776 CD1 TYR A 72 -2.923 14.299 -11.032 1.00 0.00 C ATOM 777 CD2 TYR A 72 -0.920 13.327 -10.037 1.00 0.00 C ATOM 778 CE1 TYR A 72 -2.579 13.748 -12.278 1.00 0.00 C ATOM 779 CE2 TYR A 72 -0.584 12.751 -11.279 1.00 0.00 C ATOM 780 CZ TYR A 72 -1.415 12.957 -12.398 1.00 0.00 C ATOM 781 OH TYR A 72 -1.087 12.381 -13.582 1.00 0.00 O ATOM 0 H TYR A 72 -0.519 16.312 -7.855 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.844 16.602 -9.641 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.763 14.423 -7.825 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.451 14.412 -8.294 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.829 14.878 -10.932 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.279 13.176 -9.181 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.203 13.929 -13.141 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.310 12.152 -11.373 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.254 11.874 -13.480 1.00 0.00 H new ATOM 791 N ILE A 73 -4.633 17.048 -7.938 1.00 0.00 N ATOM 792 CA ILE A 73 -5.683 17.544 -7.036 1.00 0.00 C ATOM 793 C ILE A 73 -7.009 16.791 -7.244 1.00 0.00 C ATOM 794 O ILE A 73 -7.286 16.272 -8.331 1.00 0.00 O ATOM 795 CB ILE A 73 -5.906 19.073 -7.181 1.00 0.00 C ATOM 796 CG1 ILE A 73 -6.536 19.487 -8.529 1.00 0.00 C ATOM 797 CG2 ILE A 73 -4.603 19.852 -6.940 1.00 0.00 C ATOM 798 CD1 ILE A 73 -6.872 20.982 -8.635 1.00 0.00 C ATOM 0 H ILE A 73 -4.980 16.842 -8.875 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.332 17.353 -6.022 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.630 19.334 -6.409 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.850 19.222 -9.334 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.447 18.910 -8.684 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.792 20.920 -7.049 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.238 19.649 -5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.853 19.541 -7.667 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.310 21.188 -9.612 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.583 21.251 -7.854 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.961 21.569 -8.515 1.00 0.00 H new ATOM 810 N CYS A 74 -7.844 16.774 -6.210 1.00 0.00 N ATOM 811 CA CYS A 74 -9.196 16.219 -6.240 1.00 0.00 C ATOM 812 C CYS A 74 -10.212 17.130 -6.962 1.00 0.00 C ATOM 813 O CYS A 74 -10.034 18.351 -7.039 1.00 0.00 O ATOM 814 CB CYS A 74 -9.594 15.879 -4.798 1.00 0.00 C ATOM 815 SG CYS A 74 -9.828 17.346 -3.758 1.00 0.00 S ATOM 0 H CYS A 74 -7.592 17.158 -5.299 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.205 15.309 -6.840 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.517 15.299 -4.810 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -8.825 15.246 -4.355 1.00 0.00 H new ATOM 0 HG CYS A 74 -9.167 17.201 -2.648 1.00 0.00 H new ATOM 820 N ASP A 75 -11.308 16.557 -7.483 1.00 0.00 N ATOM 821 CA ASP A 75 -12.331 17.352 -8.188 1.00 0.00 C ATOM 822 C ASP A 75 -12.972 18.417 -7.272 1.00 0.00 C ATOM 823 O ASP A 75 -13.272 19.526 -7.711 1.00 0.00 O ATOM 824 CB ASP A 75 -13.405 16.448 -8.817 1.00 0.00 C ATOM 825 CG ASP A 75 -14.088 17.154 -10.000 1.00 0.00 C ATOM 826 OD1 ASP A 75 -14.949 18.036 -9.778 1.00 0.00 O ATOM 827 OD2 ASP A 75 -13.654 16.917 -11.148 1.00 0.00 O ATOM 0 H ASP A 75 -11.509 15.558 -7.432 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.821 17.883 -8.992 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -12.950 15.517 -9.156 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -14.150 16.184 -8.066 1.00 0.00 H new ATOM 832 N PHE A 76 -13.091 18.125 -5.971 1.00 0.00 N ATOM 833 CA PHE A 76 -13.581 19.053 -4.944 1.00 0.00 C ATOM 834 C PHE A 76 -12.755 20.350 -4.928 1.00 0.00 C ATOM 835 O PHE A 76 -13.304 21.451 -5.006 1.00 0.00 O ATOM 836 CB PHE A 76 -13.528 18.314 -3.597 1.00 0.00 C ATOM 837 CG PHE A 76 -14.306 18.932 -2.451 1.00 0.00 C ATOM 838 CD1 PHE A 76 -15.706 18.789 -2.403 1.00 0.00 C ATOM 839 CD2 PHE A 76 -13.638 19.591 -1.400 1.00 0.00 C ATOM 840 CE1 PHE A 76 -16.434 19.303 -1.316 1.00 0.00 C ATOM 841 CE2 PHE A 76 -14.367 20.098 -0.309 1.00 0.00 C ATOM 842 CZ PHE A 76 -15.765 19.958 -0.268 1.00 0.00 C ATOM 0 H PHE A 76 -12.842 17.211 -5.593 1.00 0.00 H new ATOM 0 HA PHE A 76 -14.606 19.358 -5.156 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.896 17.300 -3.750 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.484 18.232 -3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -16.223 18.282 -3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.565 19.707 -1.432 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -17.508 19.194 -1.286 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.851 20.596 0.499 1.00 0.00 H new ATOM 0 HZ PHE A 76 -16.324 20.353 0.567 1.00 0.00 H new ATOM 852 N HIS A 77 -11.422 20.222 -4.916 1.00 0.00 N ATOM 853 CA HIS A 77 -10.508 21.366 -5.020 1.00 0.00 C ATOM 854 C HIS A 77 -10.485 21.971 -6.432 1.00 0.00 C ATOM 855 O HIS A 77 -10.456 23.195 -6.562 1.00 0.00 O ATOM 856 CB HIS A 77 -9.101 20.974 -4.532 1.00 0.00 C ATOM 857 CG HIS A 77 -8.893 21.221 -3.038 1.00 0.00 C ATOM 858 ND1 HIS A 77 -8.352 20.318 -2.099 1.00 0.00 N ATOM 859 CD2 HIS A 77 -9.231 22.364 -2.376 1.00 0.00 C ATOM 860 CE1 HIS A 77 -8.389 20.956 -0.909 1.00 0.00 C ATOM 861 NE2 HIS A 77 -8.922 22.172 -1.051 1.00 0.00 N ATOM 0 H HIS A 77 -10.947 19.323 -4.834 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.884 22.153 -4.367 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.929 19.919 -4.747 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.358 21.539 -5.094 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.661 23.254 -2.812 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.038 20.542 0.024 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -9.074 22.846 -0.301 1.00 0.00 H new ATOM 869 N LYS A 78 -10.570 21.158 -7.493 1.00 0.00 N ATOM 870 CA LYS A 78 -10.673 21.664 -8.874 1.00 0.00 C ATOM 871 C LYS A 78 -11.873 22.609 -9.028 1.00 0.00 C ATOM 872 O LYS A 78 -11.753 23.655 -9.661 1.00 0.00 O ATOM 873 CB LYS A 78 -10.783 20.474 -9.845 1.00 0.00 C ATOM 874 CG LYS A 78 -10.835 20.884 -11.333 1.00 0.00 C ATOM 875 CD LYS A 78 -11.608 19.910 -12.242 1.00 0.00 C ATOM 876 CE LYS A 78 -13.047 19.607 -11.807 1.00 0.00 C ATOM 877 NZ LYS A 78 -13.891 20.792 -11.552 1.00 0.00 N ATOM 0 H LYS A 78 -10.570 20.140 -7.423 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.776 22.237 -9.110 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.931 19.811 -9.690 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.679 19.903 -9.604 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.292 21.871 -11.408 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.815 20.976 -11.706 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.630 20.321 -13.251 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.056 18.971 -12.293 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.523 19.002 -12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.016 19.002 -10.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.892 20.540 -11.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.741 21.122 -10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.635 21.550 -12.217 1.00 0.00 H new ATOM 891 N ASN A 79 -13.040 22.242 -8.487 1.00 0.00 N ATOM 892 CA ASN A 79 -14.230 23.092 -8.537 1.00 0.00 C ATOM 893 C ASN A 79 -14.040 24.383 -7.727 1.00 0.00 C ATOM 894 O ASN A 79 -14.306 25.447 -8.271 1.00 0.00 O ATOM 895 CB ASN A 79 -15.488 22.325 -8.097 1.00 0.00 C ATOM 896 CG ASN A 79 -16.732 23.148 -8.415 1.00 0.00 C ATOM 897 OD1 ASN A 79 -17.055 24.122 -7.766 1.00 0.00 O ATOM 898 ND2 ASN A 79 -17.466 22.826 -9.458 1.00 0.00 N ATOM 0 H ASN A 79 -13.184 21.354 -8.006 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.376 23.385 -9.577 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.536 21.364 -8.608 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.442 22.116 -7.028 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -18.281 23.389 -9.702 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -17.220 22.013 -10.023 1.00 0.00 H new ATOM 905 N PHE A 80 -13.494 24.321 -6.506 1.00 0.00 N ATOM 906 CA PHE A 80 -13.204 25.505 -5.685 1.00 0.00 C ATOM 907 C PHE A 80 -12.381 26.558 -6.445 1.00 0.00 C ATOM 908 O PHE A 80 -12.778 27.718 -6.535 1.00 0.00 O ATOM 909 CB PHE A 80 -12.500 25.055 -4.392 1.00 0.00 C ATOM 910 CG PHE A 80 -12.280 26.129 -3.336 1.00 0.00 C ATOM 911 CD1 PHE A 80 -13.361 26.927 -2.903 1.00 0.00 C ATOM 912 CD2 PHE A 80 -11.023 26.265 -2.707 1.00 0.00 C ATOM 913 CE1 PHE A 80 -13.189 27.846 -1.852 1.00 0.00 C ATOM 914 CE2 PHE A 80 -10.864 27.163 -1.636 1.00 0.00 C ATOM 915 CZ PHE A 80 -11.944 27.951 -1.209 1.00 0.00 C ATOM 0 H PHE A 80 -13.239 23.442 -6.056 1.00 0.00 H new ATOM 0 HA PHE A 80 -14.145 25.994 -5.433 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.085 24.251 -3.946 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.531 24.634 -4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.325 26.831 -3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.183 25.679 -3.049 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -14.013 28.470 -1.540 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.908 27.246 -1.141 1.00 0.00 H new ATOM 0 HZ PHE A 80 -11.818 28.639 -0.386 1.00 0.00 H new ATOM 925 N ILE A 81 -11.292 26.143 -7.105 1.00 0.00 N ATOM 926 CA ILE A 81 -10.403 27.025 -7.881 1.00 0.00 C ATOM 927 C ILE A 81 -11.024 27.452 -9.233 1.00 0.00 C ATOM 928 O ILE A 81 -10.601 28.440 -9.840 1.00 0.00 O ATOM 929 CB ILE A 81 -9.028 26.343 -8.070 1.00 0.00 C ATOM 930 CG1 ILE A 81 -8.406 25.865 -6.731 1.00 0.00 C ATOM 931 CG2 ILE A 81 -8.049 27.325 -8.749 1.00 0.00 C ATOM 932 CD1 ILE A 81 -7.400 24.727 -6.935 1.00 0.00 C ATOM 0 H ILE A 81 -10.996 25.167 -7.116 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.264 27.946 -7.315 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.195 25.464 -8.693 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.910 26.704 -6.243 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.199 25.531 -6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.081 26.841 -8.881 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.444 27.618 -9.722 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.930 28.210 -8.124 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.991 24.426 -5.971 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.901 23.877 -7.398 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.591 25.068 -7.582 1.00 0.00 H new ATOM 944 N GLN A 82 -12.029 26.732 -9.739 1.00 0.00 N ATOM 945 CA GLN A 82 -12.773 27.117 -10.946 1.00 0.00 C ATOM 946 C GLN A 82 -13.946 28.064 -10.622 1.00 0.00 C ATOM 947 O GLN A 82 -14.243 28.949 -11.423 1.00 0.00 O ATOM 948 CB GLN A 82 -13.255 25.863 -11.697 1.00 0.00 C ATOM 949 CG GLN A 82 -12.097 25.175 -12.445 1.00 0.00 C ATOM 950 CD GLN A 82 -12.489 23.859 -13.116 1.00 0.00 C ATOM 951 OE1 GLN A 82 -13.492 23.220 -12.831 1.00 0.00 O ATOM 952 NE2 GLN A 82 -11.698 23.384 -14.051 1.00 0.00 N ATOM 0 H GLN A 82 -12.353 25.860 -9.321 1.00 0.00 H new ATOM 0 HA GLN A 82 -12.095 27.670 -11.596 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -13.700 25.163 -10.990 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -14.035 26.139 -12.406 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.711 25.857 -13.203 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.285 24.986 -11.743 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.854 23.893 -14.312 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.928 22.506 -14.516 1.00 0.00 H new