USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 699 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 NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 36 HIS HE2 : A 36 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 73 SER OG : rot 180:sc= 1.01 USER MOD Set 1.2: A 80 LYS NZ :NH3+ 128:sc= 1.23 (180deg=-0.866) USER MOD Set 2.1: A 51 CYS SG : rot 100:sc= 0.939! USER MOD Set 2.2: A 56 SER OG : rot 125:sc= 1.41 USER MOD Set 3.1: A 25 SER OG : rot 180:sc= 0.00351 USER MOD Set 3.2: A 28 ASN : amide:sc= -4.13! K(o=-4.1!,f=-2.2) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -176:sc= 0 (180deg=-0.0192) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= -0.0161 (180deg=-0.162) USER MOD Single : A 26 SER OG : rot 180:sc= 0.00452 USER MOD Single : A 27 HIS : no HE2:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -44:sc= 0.644 USER MOD Single : A 40 LYS NZ :NH3+ 163:sc= -0.0381 (180deg=-0.325) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 50 THR OG1 : rot 177:sc= 1.33 USER MOD Single : A 53 GLN : amide:sc= -0.0174 X(o=-0.017,f=-0.2) USER MOD Single : A 54 LYS NZ :NH3+ -145:sc= -0.795 (180deg=-2.69!) USER MOD Single : A 58 ASN : amide:sc= -0.827 X(o=-0.83,f=-1.2!) USER MOD Single : A 61 MET CE :methyl -105:sc= -0.116 (180deg=-2.34!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 100:sc= 1.06 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 75 ASN : amide:sc= -0.1 K(o=-0.1,f=-2.3!) USER MOD Single : A 79 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0567) USER MOD Single : A 83 LYS NZ :NH3+ -125:sc= 0.355 (180deg=-0.225) USER MOD Single : A 84 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0164) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000985) USER MOD Single : A 94 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 19.648 -13.708 20.059 1.00 0.00 N ATOM 2 CA HIS A 10 18.169 -13.669 19.954 1.00 0.00 C ATOM 3 C HIS A 10 17.756 -12.609 18.925 1.00 0.00 C ATOM 4 O HIS A 10 18.136 -11.440 19.047 1.00 0.00 O ATOM 5 CB HIS A 10 17.521 -13.365 21.327 1.00 0.00 C ATOM 6 CG HIS A 10 17.792 -14.395 22.394 1.00 0.00 C ATOM 7 ND1 HIS A 10 18.315 -14.082 23.633 1.00 0.00 N ATOM 8 CD2 HIS A 10 17.595 -15.736 22.406 1.00 0.00 C ATOM 9 CE1 HIS A 10 18.426 -15.183 24.353 1.00 0.00 C ATOM 10 NE2 HIS A 10 17.995 -16.197 23.632 1.00 0.00 N ATOM 0 HA HIS A 10 17.817 -14.648 19.628 1.00 0.00 H new ATOM 0 HB2 HIS A 10 17.880 -12.397 21.676 1.00 0.00 H new ATOM 0 HB3 HIS A 10 16.443 -13.276 21.193 1.00 0.00 H new ATOM 0 HD2 HIS A 10 17.196 -16.331 21.598 1.00 0.00 H new ATOM 0 HE1 HIS A 10 18.806 -15.242 25.362 1.00 0.00 H new ATOM 0 HE2 HIS A 10 17.964 -17.170 23.938 1.00 0.00 H new ATOM 19 N MET A 11 16.983 -13.035 17.914 1.00 0.00 N ATOM 20 CA MET A 11 16.504 -12.166 16.831 1.00 0.00 C ATOM 21 C MET A 11 15.262 -12.787 16.182 1.00 0.00 C ATOM 22 O MET A 11 15.212 -14.007 15.975 1.00 0.00 O ATOM 23 CB MET A 11 17.620 -11.957 15.767 1.00 0.00 C ATOM 24 CG MET A 11 17.260 -11.007 14.614 1.00 0.00 C ATOM 25 SD MET A 11 18.539 -10.959 13.338 1.00 0.00 S ATOM 26 CE MET A 11 17.762 -9.969 12.060 1.00 0.00 C ATOM 0 H MET A 11 16.671 -14.002 17.826 1.00 0.00 H new ATOM 0 HA MET A 11 16.241 -11.194 17.248 1.00 0.00 H new ATOM 0 HB2 MET A 11 18.509 -11.573 16.268 1.00 0.00 H new ATOM 0 HB3 MET A 11 17.885 -12.927 15.347 1.00 0.00 H new ATOM 0 HG2 MET A 11 16.317 -11.322 14.168 1.00 0.00 H new ATOM 0 HG3 MET A 11 17.106 -10.003 15.009 1.00 0.00 H new ATOM 0 HE1 MET A 11 18.415 -9.922 11.189 1.00 0.00 H new ATOM 0 HE2 MET A 11 16.811 -10.421 11.777 1.00 0.00 H new ATOM 0 HE3 MET A 11 17.587 -8.961 12.437 1.00 0.00 H new ATOM 36 N ARG A 12 14.274 -11.938 15.878 1.00 0.00 N ATOM 37 CA ARG A 12 13.053 -12.322 15.145 1.00 0.00 C ATOM 38 C ARG A 12 12.489 -11.089 14.422 1.00 0.00 C ATOM 39 O ARG A 12 11.299 -11.017 14.093 1.00 0.00 O ATOM 40 CB ARG A 12 12.017 -12.951 16.120 1.00 0.00 C ATOM 41 CG ARG A 12 11.580 -12.030 17.281 1.00 0.00 C ATOM 42 CD ARG A 12 10.622 -12.720 18.268 1.00 0.00 C ATOM 43 NE ARG A 12 11.256 -13.857 18.967 1.00 0.00 N ATOM 44 CZ ARG A 12 10.817 -14.408 20.113 1.00 0.00 C ATOM 45 NH1 ARG A 12 9.764 -13.904 20.751 1.00 0.00 N ATOM 46 NH2 ARG A 12 11.453 -15.452 20.616 1.00 0.00 N ATOM 0 H ARG A 12 14.296 -10.951 16.136 1.00 0.00 H new ATOM 0 HA ARG A 12 13.289 -13.077 14.395 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.133 -13.241 15.552 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.440 -13.864 16.538 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.464 -11.689 17.820 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.095 -11.144 16.872 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.276 -11.993 19.003 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.742 -13.073 17.730 1.00 0.00 H new ATOM 0 HE ARG A 12 12.095 -14.257 18.546 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.279 -13.090 20.372 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.441 -14.331 21.619 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.269 -15.832 20.136 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.128 -15.877 21.484 1.00 0.00 H new ATOM 60 N ASP A 13 13.404 -10.170 14.103 1.00 0.00 N ATOM 61 CA ASP A 13 13.093 -8.834 13.599 1.00 0.00 C ATOM 62 C ASP A 13 14.226 -8.372 12.674 1.00 0.00 C ATOM 63 O ASP A 13 15.311 -7.967 13.102 1.00 0.00 O ATOM 64 CB ASP A 13 12.835 -7.830 14.759 1.00 0.00 C ATOM 65 CG ASP A 13 13.944 -7.792 15.823 1.00 0.00 C ATOM 66 OD1 ASP A 13 14.085 -8.787 16.565 1.00 0.00 O ATOM 67 OD2 ASP A 13 14.680 -6.783 15.921 1.00 0.00 O ATOM 0 H ASP A 13 14.406 -10.341 14.191 1.00 0.00 H new ATOM 0 HA ASP A 13 12.167 -8.872 13.025 1.00 0.00 H new ATOM 0 HB2 ASP A 13 12.716 -6.831 14.339 1.00 0.00 H new ATOM 0 HB3 ASP A 13 11.893 -8.087 15.243 1.00 0.00 H new ATOM 72 N TYR A 14 13.962 -8.536 11.393 1.00 0.00 N ATOM 73 CA TYR A 14 14.807 -8.090 10.291 1.00 0.00 C ATOM 74 C TYR A 14 14.645 -6.580 10.096 1.00 0.00 C ATOM 75 O TYR A 14 13.539 -6.088 9.828 1.00 0.00 O ATOM 76 CB TYR A 14 14.390 -8.852 9.022 1.00 0.00 C ATOM 77 CG TYR A 14 14.552 -10.375 9.158 1.00 0.00 C ATOM 78 CD1 TYR A 14 15.780 -10.990 8.909 1.00 0.00 C ATOM 79 CD2 TYR A 14 13.488 -11.193 9.556 1.00 0.00 C ATOM 80 CE1 TYR A 14 15.943 -12.354 9.047 1.00 0.00 C ATOM 81 CE2 TYR A 14 13.647 -12.558 9.691 1.00 0.00 C ATOM 82 CZ TYR A 14 14.877 -13.133 9.434 1.00 0.00 C ATOM 83 OH TYR A 14 15.045 -14.498 9.574 1.00 0.00 O ATOM 0 H TYR A 14 13.115 -9.005 11.072 1.00 0.00 H new ATOM 0 HA TYR A 14 15.856 -8.293 10.507 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.350 -8.622 8.791 1.00 0.00 H new ATOM 0 HB3 TYR A 14 14.988 -8.502 8.181 1.00 0.00 H new ATOM 0 HD1 TYR A 14 16.621 -10.386 8.602 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.525 -10.748 9.761 1.00 0.00 H new ATOM 0 HE1 TYR A 14 16.903 -12.808 8.852 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.814 -13.174 9.996 1.00 0.00 H new ATOM 0 HH TYR A 14 14.198 -14.905 9.854 1.00 0.00 H new ATOM 93 N ILE A 15 15.755 -5.856 10.240 1.00 0.00 N ATOM 94 CA ILE A 15 15.777 -4.395 10.216 1.00 0.00 C ATOM 95 C ILE A 15 16.356 -3.927 8.868 1.00 0.00 C ATOM 96 O ILE A 15 17.190 -4.622 8.276 1.00 0.00 O ATOM 97 CB ILE A 15 16.638 -3.821 11.405 1.00 0.00 C ATOM 98 CG1 ILE A 15 16.304 -4.533 12.753 1.00 0.00 C ATOM 99 CG2 ILE A 15 16.469 -2.292 11.534 1.00 0.00 C ATOM 100 CD1 ILE A 15 14.869 -4.407 13.186 1.00 0.00 C ATOM 0 H ILE A 15 16.675 -6.274 10.378 1.00 0.00 H new ATOM 0 HA ILE A 15 14.759 -4.023 10.333 1.00 0.00 H new ATOM 0 HB ILE A 15 17.683 -4.025 11.173 1.00 0.00 H new ATOM 0 HG12 ILE A 15 16.551 -5.591 12.662 1.00 0.00 H new ATOM 0 HG13 ILE A 15 16.944 -4.122 13.534 1.00 0.00 H new ATOM 0 HG21 ILE A 15 17.076 -1.928 12.363 1.00 0.00 H new ATOM 0 HG22 ILE A 15 16.791 -1.811 10.610 1.00 0.00 H new ATOM 0 HG23 ILE A 15 15.421 -2.056 11.720 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.727 -4.931 14.131 1.00 0.00 H new ATOM 0 HD12 ILE A 15 14.619 -3.354 13.314 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.220 -4.845 12.427 1.00 0.00 H new ATOM 112 N CYS A 16 15.904 -2.758 8.386 1.00 0.00 N ATOM 113 CA CYS A 16 16.416 -2.147 7.148 1.00 0.00 C ATOM 114 C CYS A 16 17.680 -1.364 7.433 1.00 0.00 C ATOM 115 O CYS A 16 17.986 -1.024 8.580 1.00 0.00 O ATOM 116 CB CYS A 16 15.352 -1.235 6.480 1.00 0.00 C ATOM 117 SG CYS A 16 15.984 0.034 5.327 1.00 0.00 S ATOM 0 H CYS A 16 15.175 -2.210 8.842 1.00 0.00 H new ATOM 0 HA CYS A 16 16.647 -2.951 6.450 1.00 0.00 H new ATOM 0 HB2 CYS A 16 14.649 -1.869 5.940 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.789 -0.733 7.267 1.00 0.00 H new ATOM 122 N GLU A 17 18.384 -1.082 6.346 1.00 0.00 N ATOM 123 CA GLU A 17 19.674 -0.396 6.333 1.00 0.00 C ATOM 124 C GLU A 17 19.572 0.997 6.987 1.00 0.00 C ATOM 125 O GLU A 17 20.521 1.470 7.618 1.00 0.00 O ATOM 126 CB GLU A 17 20.130 -0.281 4.854 1.00 0.00 C ATOM 127 CG GLU A 17 21.603 0.095 4.646 1.00 0.00 C ATOM 128 CD GLU A 17 21.967 0.262 3.162 1.00 0.00 C ATOM 129 OE1 GLU A 17 21.811 -0.715 2.396 1.00 0.00 O ATOM 130 OE2 GLU A 17 22.406 1.361 2.758 1.00 0.00 O ATOM 0 H GLU A 17 18.062 -1.333 5.411 1.00 0.00 H new ATOM 0 HA GLU A 17 20.404 -0.962 6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 17 19.943 -1.234 4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 17 19.509 0.464 4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 17 21.815 1.024 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.236 -0.675 5.087 1.00 0.00 H new ATOM 137 N TYR A 18 18.395 1.644 6.835 1.00 0.00 N ATOM 138 CA TYR A 18 18.155 3.001 7.341 1.00 0.00 C ATOM 139 C TYR A 18 16.756 3.088 7.965 1.00 0.00 C ATOM 140 O TYR A 18 16.588 3.573 9.090 1.00 0.00 O ATOM 141 CB TYR A 18 18.309 4.042 6.209 1.00 0.00 C ATOM 142 CG TYR A 18 18.532 5.458 6.757 1.00 0.00 C ATOM 143 CD1 TYR A 18 19.503 5.676 7.733 1.00 0.00 C ATOM 144 CD2 TYR A 18 17.766 6.545 6.350 1.00 0.00 C ATOM 145 CE1 TYR A 18 19.713 6.914 8.273 1.00 0.00 C ATOM 146 CE2 TYR A 18 17.972 7.804 6.893 1.00 0.00 C ATOM 147 CZ TYR A 18 18.944 7.982 7.857 1.00 0.00 C ATOM 148 OH TYR A 18 19.156 9.233 8.403 1.00 0.00 O ATOM 0 H TYR A 18 17.591 1.236 6.358 1.00 0.00 H new ATOM 0 HA TYR A 18 18.897 3.223 8.108 1.00 0.00 H new ATOM 0 HB2 TYR A 18 19.148 3.763 5.572 1.00 0.00 H new ATOM 0 HB3 TYR A 18 17.417 4.032 5.583 1.00 0.00 H new ATOM 0 HD1 TYR A 18 20.105 4.845 8.071 1.00 0.00 H new ATOM 0 HD2 TYR A 18 17.000 6.407 5.601 1.00 0.00 H new ATOM 0 HE1 TYR A 18 20.478 7.056 9.022 1.00 0.00 H new ATOM 0 HE2 TYR A 18 17.375 8.641 6.563 1.00 0.00 H new ATOM 0 HH TYR A 18 18.533 9.875 8.002 1.00 0.00 H new ATOM 158 N CYS A 19 15.758 2.602 7.200 1.00 0.00 N ATOM 159 CA CYS A 19 14.327 2.786 7.520 1.00 0.00 C ATOM 160 C CYS A 19 13.538 1.464 7.603 1.00 0.00 C ATOM 161 O CYS A 19 12.830 1.086 6.666 1.00 0.00 O ATOM 162 CB CYS A 19 13.668 3.765 6.521 1.00 0.00 C ATOM 163 SG CYS A 19 13.866 3.359 4.746 1.00 0.00 S ATOM 0 H CYS A 19 15.920 2.072 6.344 1.00 0.00 H new ATOM 0 HA CYS A 19 14.289 3.217 8.520 1.00 0.00 H new ATOM 0 HB2 CYS A 19 12.602 3.817 6.744 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.079 4.760 6.693 1.00 0.00 H new ATOM 168 N ALA A 20 13.787 0.695 8.681 1.00 0.00 N ATOM 169 CA ALA A 20 12.763 -0.209 9.267 1.00 0.00 C ATOM 170 C ALA A 20 12.825 -0.230 10.796 1.00 0.00 C ATOM 171 O ALA A 20 13.913 -0.298 11.375 1.00 0.00 O ATOM 172 CB ALA A 20 12.835 -1.644 8.743 1.00 0.00 C ATOM 0 H ALA A 20 14.684 0.678 9.166 1.00 0.00 H new ATOM 0 HA ALA A 20 11.811 0.213 8.945 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.057 -2.244 9.216 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.687 -1.645 7.663 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.812 -2.068 8.976 1.00 0.00 H new ATOM 178 N ARG A 21 11.636 -0.146 11.424 1.00 0.00 N ATOM 179 CA ARG A 21 11.482 -0.395 12.861 1.00 0.00 C ATOM 180 C ARG A 21 11.710 -1.905 13.153 1.00 0.00 C ATOM 181 O ARG A 21 12.620 -2.235 13.922 1.00 0.00 O ATOM 182 CB ARG A 21 10.108 0.142 13.401 1.00 0.00 C ATOM 183 CG ARG A 21 8.835 -0.400 12.697 1.00 0.00 C ATOM 184 CD ARG A 21 7.534 0.241 13.208 1.00 0.00 C ATOM 185 NE ARG A 21 7.351 0.045 14.653 1.00 0.00 N ATOM 186 CZ ARG A 21 6.356 0.551 15.392 1.00 0.00 C ATOM 187 NH1 ARG A 21 5.391 1.274 14.836 1.00 0.00 N ATOM 188 NH2 ARG A 21 6.323 0.308 16.690 1.00 0.00 N ATOM 0 H ARG A 21 10.766 0.095 10.950 1.00 0.00 H new ATOM 0 HA ARG A 21 12.241 0.165 13.407 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.040 -0.097 14.462 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.109 1.229 13.318 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.920 -0.226 11.624 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.781 -1.479 12.841 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.545 1.308 12.986 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.686 -0.187 12.674 1.00 0.00 H new ATOM 0 HE ARG A 21 8.044 -0.527 15.136 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.401 1.451 13.832 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.640 1.652 15.413 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.052 -0.261 17.121 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.569 0.689 17.261 1.00 0.00 H new ATOM 202 N ALA A 22 10.899 -2.808 12.530 1.00 0.00 N ATOM 203 CA ALA A 22 11.131 -4.272 12.555 1.00 0.00 C ATOM 204 C ALA A 22 10.150 -5.004 11.622 1.00 0.00 C ATOM 205 O ALA A 22 8.941 -4.734 11.648 1.00 0.00 O ATOM 206 CB ALA A 22 10.958 -4.815 13.984 1.00 0.00 C ATOM 0 H ALA A 22 10.071 -2.537 12.000 1.00 0.00 H new ATOM 0 HA ALA A 22 12.150 -4.451 12.211 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.131 -5.891 13.988 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.675 -4.330 14.647 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.946 -4.609 14.331 1.00 0.00 H new ATOM 212 N PHE A 23 10.678 -5.931 10.810 1.00 0.00 N ATOM 213 CA PHE A 23 9.876 -6.888 10.028 1.00 0.00 C ATOM 214 C PHE A 23 10.163 -8.289 10.560 1.00 0.00 C ATOM 215 O PHE A 23 11.314 -8.658 10.673 1.00 0.00 O ATOM 216 CB PHE A 23 10.236 -6.836 8.516 1.00 0.00 C ATOM 217 CG PHE A 23 9.903 -5.522 7.809 1.00 0.00 C ATOM 218 CD1 PHE A 23 8.584 -5.201 7.482 1.00 0.00 C ATOM 219 CD2 PHE A 23 10.901 -4.617 7.458 1.00 0.00 C ATOM 220 CE1 PHE A 23 8.283 -4.022 6.823 1.00 0.00 C ATOM 221 CE2 PHE A 23 10.597 -3.440 6.801 1.00 0.00 C ATOM 222 CZ PHE A 23 9.288 -3.141 6.488 1.00 0.00 C ATOM 0 H PHE A 23 11.683 -6.040 10.675 1.00 0.00 H new ATOM 0 HA PHE A 23 8.822 -6.631 10.130 1.00 0.00 H new ATOM 0 HB2 PHE A 23 11.303 -7.028 8.407 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.713 -7.646 8.007 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.788 -5.882 7.747 1.00 0.00 H new ATOM 0 HD2 PHE A 23 11.929 -4.838 7.703 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.258 -3.792 6.571 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.386 -2.753 6.532 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.051 -2.217 5.981 1.00 0.00 H new ATOM 232 N LYS A 24 9.129 -9.084 10.849 1.00 0.00 N ATOM 233 CA LYS A 24 9.311 -10.473 11.346 1.00 0.00 C ATOM 234 C LYS A 24 9.618 -11.464 10.187 1.00 0.00 C ATOM 235 O LYS A 24 9.750 -12.671 10.412 1.00 0.00 O ATOM 236 CB LYS A 24 8.062 -10.924 12.153 1.00 0.00 C ATOM 237 CG LYS A 24 6.734 -10.883 11.371 1.00 0.00 C ATOM 238 CD LYS A 24 5.531 -11.351 12.219 1.00 0.00 C ATOM 239 CE LYS A 24 4.196 -11.237 11.461 1.00 0.00 C ATOM 240 NZ LYS A 24 3.895 -9.833 11.060 1.00 0.00 N ATOM 0 H LYS A 24 8.154 -8.801 10.751 1.00 0.00 H new ATOM 0 HA LYS A 24 10.175 -10.481 12.010 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.226 -11.941 12.509 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.968 -10.289 13.034 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.554 -9.866 11.021 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.818 -11.514 10.486 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.685 -12.386 12.523 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.480 -10.756 13.131 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.229 -11.868 10.573 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.390 -11.614 12.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.913 -9.771 10.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.020 -9.204 11.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.542 -9.543 10.299 1.00 0.00 H new ATOM 254 N SER A 25 9.750 -10.934 8.959 1.00 0.00 N ATOM 255 CA SER A 25 10.079 -11.713 7.754 1.00 0.00 C ATOM 256 C SER A 25 11.116 -10.952 6.907 1.00 0.00 C ATOM 257 O SER A 25 10.994 -9.737 6.691 1.00 0.00 O ATOM 258 CB SER A 25 8.792 -11.981 6.937 1.00 0.00 C ATOM 259 OG SER A 25 9.067 -12.504 5.647 1.00 0.00 O ATOM 0 H SER A 25 9.629 -9.938 8.773 1.00 0.00 H new ATOM 0 HA SER A 25 10.509 -12.671 8.046 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.159 -12.681 7.482 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.229 -11.053 6.837 1.00 0.00 H new ATOM 0 HG SER A 25 8.225 -12.658 5.170 1.00 0.00 H new ATOM 265 N SER A 26 12.135 -11.691 6.441 1.00 0.00 N ATOM 266 CA SER A 26 13.196 -11.165 5.558 1.00 0.00 C ATOM 267 C SER A 26 12.646 -10.834 4.154 1.00 0.00 C ATOM 268 O SER A 26 13.166 -9.936 3.479 1.00 0.00 O ATOM 269 CB SER A 26 14.358 -12.181 5.475 1.00 0.00 C ATOM 270 OG SER A 26 13.879 -13.482 5.185 1.00 0.00 O ATOM 0 H SER A 26 12.250 -12.679 6.667 1.00 0.00 H new ATOM 0 HA SER A 26 13.572 -10.235 5.984 1.00 0.00 H new ATOM 0 HB2 SER A 26 15.063 -11.870 4.704 1.00 0.00 H new ATOM 0 HB3 SER A 26 14.903 -12.193 6.419 1.00 0.00 H new ATOM 0 HG SER A 26 14.634 -14.105 5.136 1.00 0.00 H new ATOM 276 N HIS A 27 11.588 -11.565 3.734 1.00 0.00 N ATOM 277 CA HIS A 27 10.893 -11.320 2.452 1.00 0.00 C ATOM 278 C HIS A 27 10.254 -9.917 2.451 1.00 0.00 C ATOM 279 O HIS A 27 10.378 -9.191 1.476 1.00 0.00 O ATOM 280 CB HIS A 27 9.821 -12.414 2.190 1.00 0.00 C ATOM 281 CG HIS A 27 9.084 -12.272 0.873 1.00 0.00 C ATOM 282 ND1 HIS A 27 9.549 -12.800 -0.314 1.00 0.00 N ATOM 283 CD2 HIS A 27 7.917 -11.654 0.564 1.00 0.00 C ATOM 284 CE1 HIS A 27 8.708 -12.513 -1.290 1.00 0.00 C ATOM 285 NE2 HIS A 27 7.711 -11.819 -0.784 1.00 0.00 N ATOM 0 H HIS A 27 11.195 -12.337 4.272 1.00 0.00 H new ATOM 0 HA HIS A 27 11.626 -11.367 1.646 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.303 -13.391 2.218 1.00 0.00 H new ATOM 0 HB3 HIS A 27 9.094 -12.394 3.002 1.00 0.00 H new ATOM 0 HD1 HIS A 27 10.413 -13.332 -0.421 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.269 -11.129 1.251 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.819 -12.799 -2.326 1.00 0.00 H new ATOM 294 N ASN A 28 9.598 -9.555 3.569 1.00 0.00 N ATOM 295 CA ASN A 28 8.963 -8.219 3.772 1.00 0.00 C ATOM 296 C ASN A 28 9.958 -7.083 3.526 1.00 0.00 C ATOM 297 O ASN A 28 9.692 -6.146 2.774 1.00 0.00 O ATOM 298 CB ASN A 28 8.420 -8.096 5.217 1.00 0.00 C ATOM 299 CG ASN A 28 7.053 -8.758 5.414 1.00 0.00 C ATOM 300 OD1 ASN A 28 6.056 -8.079 5.676 1.00 0.00 O ATOM 301 ND2 ASN A 28 6.967 -10.069 5.212 1.00 0.00 N ATOM 0 H ASN A 28 9.487 -10.179 4.369 1.00 0.00 H new ATOM 0 HA ASN A 28 8.146 -8.137 3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.135 -8.546 5.905 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.345 -7.041 5.480 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.062 -10.536 5.272 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.806 -10.608 4.997 1.00 0.00 H new ATOM 308 N LEU A 29 11.096 -7.214 4.194 1.00 0.00 N ATOM 309 CA LEU A 29 12.193 -6.250 4.159 1.00 0.00 C ATOM 310 C LEU A 29 12.863 -6.211 2.763 1.00 0.00 C ATOM 311 O LEU A 29 13.286 -5.147 2.321 1.00 0.00 O ATOM 312 CB LEU A 29 13.185 -6.595 5.314 1.00 0.00 C ATOM 313 CG LEU A 29 14.681 -6.177 5.123 1.00 0.00 C ATOM 314 CD1 LEU A 29 14.850 -4.645 5.081 1.00 0.00 C ATOM 315 CD2 LEU A 29 15.581 -6.819 6.197 1.00 0.00 C ATOM 0 H LEU A 29 11.289 -8.016 4.793 1.00 0.00 H new ATOM 0 HA LEU A 29 11.819 -5.239 4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.817 -6.125 6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.154 -7.673 5.475 1.00 0.00 H new ATOM 0 HG LEU A 29 15.002 -6.557 4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.903 -4.399 4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.274 -4.238 4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.493 -4.214 6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.614 -6.510 6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.254 -6.497 7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.512 -7.905 6.128 1.00 0.00 H new ATOM 327 N ALA A 30 12.942 -7.366 2.081 1.00 0.00 N ATOM 328 CA ALA A 30 13.492 -7.458 0.699 1.00 0.00 C ATOM 329 C ALA A 30 12.590 -6.700 -0.310 1.00 0.00 C ATOM 330 O ALA A 30 13.084 -5.971 -1.183 1.00 0.00 O ATOM 331 CB ALA A 30 13.661 -8.935 0.283 1.00 0.00 C ATOM 0 H ALA A 30 12.632 -8.261 2.460 1.00 0.00 H new ATOM 0 HA ALA A 30 14.473 -6.984 0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 30 14.064 -8.984 -0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 30 14.346 -9.431 0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.693 -9.434 0.313 1.00 0.00 H new ATOM 337 N VAL A 31 11.265 -6.892 -0.158 1.00 0.00 N ATOM 338 CA VAL A 31 10.239 -6.185 -0.962 1.00 0.00 C ATOM 339 C VAL A 31 10.265 -4.670 -0.663 1.00 0.00 C ATOM 340 O VAL A 31 10.067 -3.842 -1.557 1.00 0.00 O ATOM 341 CB VAL A 31 8.791 -6.772 -0.736 1.00 0.00 C ATOM 342 CG1 VAL A 31 7.730 -6.048 -1.609 1.00 0.00 C ATOM 343 CG2 VAL A 31 8.767 -8.293 -1.009 1.00 0.00 C ATOM 0 H VAL A 31 10.872 -7.541 0.524 1.00 0.00 H new ATOM 0 HA VAL A 31 10.488 -6.343 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 31 8.532 -6.599 0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.748 -6.483 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.712 -4.988 -1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.985 -6.165 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.759 -8.676 -0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.066 -8.482 -2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.459 -8.795 -0.333 1.00 0.00 H new ATOM 353 N HIS A 32 10.516 -4.336 0.610 1.00 0.00 N ATOM 354 CA HIS A 32 10.707 -2.954 1.076 1.00 0.00 C ATOM 355 C HIS A 32 11.978 -2.342 0.461 1.00 0.00 C ATOM 356 O HIS A 32 11.983 -1.181 0.041 1.00 0.00 O ATOM 357 CB HIS A 32 10.764 -2.936 2.639 1.00 0.00 C ATOM 358 CG HIS A 32 11.318 -1.670 3.243 1.00 0.00 C ATOM 359 ND1 HIS A 32 10.577 -0.547 3.491 1.00 0.00 N ATOM 360 CD2 HIS A 32 12.598 -1.356 3.571 1.00 0.00 C ATOM 361 CE1 HIS A 32 11.409 0.399 3.943 1.00 0.00 C ATOM 362 NE2 HIS A 32 12.655 -0.040 4.013 1.00 0.00 N ATOM 0 H HIS A 32 10.593 -5.027 1.356 1.00 0.00 H new ATOM 0 HA HIS A 32 9.864 -2.344 0.751 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.757 -3.095 3.026 1.00 0.00 H new ATOM 0 HB3 HIS A 32 11.371 -3.777 2.975 1.00 0.00 H new ATOM 0 HD1 HIS A 32 9.571 -0.448 3.356 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.442 -2.026 3.499 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.101 1.397 4.217 1.00 0.00 H new ATOM 370 N ARG A 33 13.047 -3.148 0.391 1.00 0.00 N ATOM 371 CA ARG A 33 14.389 -2.705 -0.058 1.00 0.00 C ATOM 372 C ARG A 33 14.441 -2.516 -1.610 1.00 0.00 C ATOM 373 O ARG A 33 15.517 -2.317 -2.184 1.00 0.00 O ATOM 374 CB ARG A 33 15.471 -3.710 0.479 1.00 0.00 C ATOM 375 CG ARG A 33 16.811 -3.068 0.916 1.00 0.00 C ATOM 376 CD ARG A 33 17.789 -4.086 1.525 1.00 0.00 C ATOM 377 NE ARG A 33 19.125 -3.510 1.804 1.00 0.00 N ATOM 378 CZ ARG A 33 20.263 -4.225 1.897 1.00 0.00 C ATOM 379 NH1 ARG A 33 20.245 -5.550 1.753 1.00 0.00 N ATOM 380 NH2 ARG A 33 21.410 -3.619 2.135 1.00 0.00 N ATOM 0 H ARG A 33 13.012 -4.135 0.645 1.00 0.00 H new ATOM 0 HA ARG A 33 14.609 -1.723 0.360 1.00 0.00 H new ATOM 0 HB2 ARG A 33 15.052 -4.250 1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 33 15.676 -4.447 -0.298 1.00 0.00 H new ATOM 0 HG2 ARG A 33 17.279 -2.592 0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.612 -2.282 1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 33 17.368 -4.477 2.451 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.898 -4.929 0.843 1.00 0.00 H new ATOM 0 HE ARG A 33 19.188 -2.500 1.935 1.00 0.00 H new ATOM 0 HH11 ARG A 33 19.364 -6.031 1.571 1.00 0.00 H new ATOM 0 HH12 ARG A 33 21.112 -6.083 1.825 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.437 -2.606 2.249 1.00 0.00 H new ATOM 0 HH22 ARG A 33 22.270 -4.164 2.205 1.00 0.00 H new ATOM 394 N MET A 34 13.244 -2.577 -2.253 1.00 0.00 N ATOM 395 CA MET A 34 13.011 -2.202 -3.674 1.00 0.00 C ATOM 396 C MET A 34 13.589 -0.810 -4.056 1.00 0.00 C ATOM 397 O MET A 34 13.905 -0.547 -5.214 1.00 0.00 O ATOM 398 CB MET A 34 11.488 -2.203 -3.965 1.00 0.00 C ATOM 399 CG MET A 34 10.698 -1.095 -3.245 1.00 0.00 C ATOM 400 SD MET A 34 8.942 -1.098 -3.650 1.00 0.00 S ATOM 401 CE MET A 34 8.385 0.426 -2.887 1.00 0.00 C ATOM 0 H MET A 34 12.395 -2.896 -1.787 1.00 0.00 H new ATOM 0 HA MET A 34 13.535 -2.944 -4.276 1.00 0.00 H new ATOM 0 HB2 MET A 34 11.337 -2.100 -5.039 1.00 0.00 H new ATOM 0 HB3 MET A 34 11.077 -3.170 -3.677 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.816 -1.215 -2.168 1.00 0.00 H new ATOM 0 HG3 MET A 34 11.123 -0.126 -3.507 1.00 0.00 H new ATOM 0 HE1 MET A 34 7.316 0.550 -3.060 1.00 0.00 H new ATOM 0 HE2 MET A 34 8.577 0.387 -1.815 1.00 0.00 H new ATOM 0 HE3 MET A 34 8.923 1.268 -3.322 1.00 0.00 H new ATOM 411 N ILE A 35 13.671 0.054 -3.046 1.00 0.00 N ATOM 412 CA ILE A 35 14.114 1.437 -3.178 1.00 0.00 C ATOM 413 C ILE A 35 15.663 1.519 -3.061 1.00 0.00 C ATOM 414 O ILE A 35 16.295 2.381 -3.691 1.00 0.00 O ATOM 415 CB ILE A 35 13.356 2.335 -2.119 1.00 0.00 C ATOM 416 CG1 ILE A 35 13.915 3.782 -2.051 1.00 0.00 C ATOM 417 CG2 ILE A 35 13.322 1.676 -0.730 1.00 0.00 C ATOM 418 CD1 ILE A 35 13.714 4.610 -3.309 1.00 0.00 C ATOM 0 H ILE A 35 13.424 -0.197 -2.089 1.00 0.00 H new ATOM 0 HA ILE A 35 13.862 1.825 -4.165 1.00 0.00 H new ATOM 0 HB ILE A 35 12.327 2.416 -2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 35 13.443 4.299 -1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 35 14.982 3.733 -1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.793 2.325 -0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.808 0.717 -0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 35 14.341 1.518 -0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 35 14.138 5.603 -3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.211 4.124 -4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 35 12.648 4.698 -3.520 1.00 0.00 H new ATOM 430 N HIS A 36 16.273 0.577 -2.302 1.00 0.00 N ATOM 431 CA HIS A 36 17.691 0.682 -1.886 1.00 0.00 C ATOM 432 C HIS A 36 18.670 -0.169 -2.751 1.00 0.00 C ATOM 433 O HIS A 36 19.557 0.374 -3.417 1.00 0.00 O ATOM 434 CB HIS A 36 17.840 0.266 -0.389 1.00 0.00 C ATOM 435 CG HIS A 36 16.869 0.937 0.569 1.00 0.00 C ATOM 436 ND1 HIS A 36 16.751 2.297 0.735 1.00 0.00 N ATOM 437 CD2 HIS A 36 15.962 0.384 1.424 1.00 0.00 C ATOM 438 CE1 HIS A 36 15.805 2.518 1.663 1.00 0.00 C ATOM 439 NE2 HIS A 36 15.287 1.387 2.112 1.00 0.00 N ATOM 0 H HIS A 36 15.804 -0.264 -1.966 1.00 0.00 H new ATOM 0 HA HIS A 36 17.967 1.726 -2.032 1.00 0.00 H new ATOM 0 HB2 HIS A 36 17.712 -0.814 -0.314 1.00 0.00 H new ATOM 0 HB3 HIS A 36 18.857 0.489 -0.066 1.00 0.00 H new ATOM 0 HD1 HIS A 36 17.287 3.011 0.241 1.00 0.00 H new ATOM 0 HD2 HIS A 36 15.793 -0.675 1.549 1.00 0.00 H new ATOM 0 HE1 HIS A 36 15.504 3.499 2.001 1.00 0.00 H new ATOM 447 N THR A 37 18.464 -1.499 -2.772 1.00 0.00 N ATOM 448 CA THR A 37 19.570 -2.484 -2.951 1.00 0.00 C ATOM 449 C THR A 37 19.667 -3.142 -4.357 1.00 0.00 C ATOM 450 O THR A 37 20.267 -4.222 -4.482 1.00 0.00 O ATOM 451 CB THR A 37 19.439 -3.590 -1.846 1.00 0.00 C ATOM 452 OG1 THR A 37 20.629 -4.396 -1.780 1.00 0.00 O ATOM 453 CG2 THR A 37 18.213 -4.499 -2.070 1.00 0.00 C ATOM 0 H THR A 37 17.544 -1.926 -2.668 1.00 0.00 H new ATOM 0 HA THR A 37 20.495 -1.916 -2.854 1.00 0.00 H new ATOM 0 HB THR A 37 19.303 -3.067 -0.900 1.00 0.00 H new ATOM 0 HG1 THR A 37 20.922 -4.621 -2.688 1.00 0.00 H new ATOM 0 HG21 THR A 37 18.166 -5.248 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 37 17.305 -3.896 -2.053 1.00 0.00 H new ATOM 0 HG23 THR A 37 18.300 -4.996 -3.036 1.00 0.00 H new ATOM 461 N GLY A 38 19.167 -2.499 -5.431 1.00 0.00 N ATOM 462 CA GLY A 38 19.280 -3.109 -6.773 1.00 0.00 C ATOM 463 C GLY A 38 18.326 -4.283 -6.991 1.00 0.00 C ATOM 464 O GLY A 38 18.696 -5.305 -7.581 1.00 0.00 O ATOM 0 H GLY A 38 18.699 -1.593 -5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 38 19.084 -2.347 -7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 38 20.304 -3.451 -6.923 1.00 0.00 H new ATOM 468 N GLU A 39 17.080 -4.102 -6.543 1.00 0.00 N ATOM 469 CA GLU A 39 16.088 -5.173 -6.382 1.00 0.00 C ATOM 470 C GLU A 39 14.709 -4.593 -6.672 1.00 0.00 C ATOM 471 O GLU A 39 14.285 -3.663 -6.012 1.00 0.00 O ATOM 472 CB GLU A 39 16.135 -5.815 -4.955 1.00 0.00 C ATOM 473 CG GLU A 39 17.289 -6.819 -4.726 1.00 0.00 C ATOM 474 CD GLU A 39 17.143 -8.115 -5.557 1.00 0.00 C ATOM 475 OE1 GLU A 39 17.586 -8.153 -6.729 1.00 0.00 O ATOM 476 OE2 GLU A 39 16.565 -9.106 -5.045 1.00 0.00 O ATOM 0 H GLU A 39 16.723 -3.185 -6.275 1.00 0.00 H new ATOM 0 HA GLU A 39 16.317 -5.975 -7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.216 -5.017 -4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.189 -6.324 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 39 18.235 -6.339 -4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 39 17.333 -7.077 -3.668 1.00 0.00 H new ATOM 483 N LYS A 40 14.069 -5.066 -7.730 1.00 0.00 N ATOM 484 CA LYS A 40 12.643 -4.809 -7.991 1.00 0.00 C ATOM 485 C LYS A 40 11.881 -6.135 -7.849 1.00 0.00 C ATOM 486 O LYS A 40 11.841 -6.914 -8.808 1.00 0.00 O ATOM 487 CB LYS A 40 12.459 -4.189 -9.401 1.00 0.00 C ATOM 488 CG LYS A 40 13.369 -2.976 -9.660 1.00 0.00 C ATOM 489 CD LYS A 40 13.136 -2.319 -11.034 1.00 0.00 C ATOM 490 CE LYS A 40 14.221 -1.278 -11.370 1.00 0.00 C ATOM 491 NZ LYS A 40 15.569 -1.890 -11.479 1.00 0.00 N ATOM 0 H LYS A 40 14.518 -5.643 -8.441 1.00 0.00 H new ATOM 0 HA LYS A 40 12.245 -4.092 -7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.660 -4.951 -10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.419 -3.886 -9.523 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.205 -2.234 -8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.410 -3.290 -9.588 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.121 -3.089 -11.806 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.158 -1.839 -11.044 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.971 -0.785 -12.309 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.235 -0.508 -10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.207 -1.237 -11.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.942 -2.080 -10.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.503 -2.782 -12.010 1.00 0.00 H new ATOM 505 N PRO A 41 11.310 -6.436 -6.636 1.00 0.00 N ATOM 506 CA PRO A 41 10.658 -7.739 -6.335 1.00 0.00 C ATOM 507 C PRO A 41 9.492 -8.047 -7.305 1.00 0.00 C ATOM 508 O PRO A 41 9.587 -8.964 -8.131 1.00 0.00 O ATOM 509 CB PRO A 41 10.182 -7.576 -4.856 1.00 0.00 C ATOM 510 CG PRO A 41 10.130 -6.095 -4.639 1.00 0.00 C ATOM 511 CD PRO A 41 11.257 -5.528 -5.459 1.00 0.00 C ATOM 0 HA PRO A 41 11.331 -8.587 -6.463 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.205 -8.034 -4.701 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.873 -8.055 -4.162 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.170 -5.686 -4.955 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.250 -5.849 -3.584 1.00 0.00 H new ATOM 0 HD2 PRO A 41 11.061 -4.497 -5.754 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.197 -5.529 -4.907 1.00 0.00 H new ATOM 519 N LEU A 42 8.418 -7.244 -7.205 1.00 0.00 N ATOM 520 CA LEU A 42 7.229 -7.314 -8.072 1.00 0.00 C ATOM 521 C LEU A 42 6.718 -5.879 -8.237 1.00 0.00 C ATOM 522 O LEU A 42 5.918 -5.403 -7.419 1.00 0.00 O ATOM 523 CB LEU A 42 6.129 -8.230 -7.443 1.00 0.00 C ATOM 524 CG LEU A 42 6.484 -9.747 -7.312 1.00 0.00 C ATOM 525 CD1 LEU A 42 5.456 -10.509 -6.454 1.00 0.00 C ATOM 526 CD2 LEU A 42 6.667 -10.395 -8.707 1.00 0.00 C ATOM 0 H LEU A 42 8.352 -6.509 -6.501 1.00 0.00 H new ATOM 0 HA LEU A 42 7.481 -7.750 -9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.891 -7.847 -6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.224 -8.141 -8.044 1.00 0.00 H new ATOM 0 HG LEU A 42 7.437 -9.817 -6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.742 -11.559 -6.390 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.428 -10.079 -5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.470 -10.429 -6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.913 -11.450 -8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.742 -10.300 -9.276 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.474 -9.891 -9.239 1.00 0.00 H new ATOM 538 N GLN A 43 7.197 -5.177 -9.279 1.00 0.00 N ATOM 539 CA GLN A 43 6.982 -3.724 -9.431 1.00 0.00 C ATOM 540 C GLN A 43 6.605 -3.347 -10.876 1.00 0.00 C ATOM 541 O GLN A 43 7.199 -3.848 -11.843 1.00 0.00 O ATOM 542 CB GLN A 43 8.261 -2.964 -8.992 1.00 0.00 C ATOM 543 CG GLN A 43 8.149 -1.422 -9.023 1.00 0.00 C ATOM 544 CD GLN A 43 9.394 -0.704 -8.497 1.00 0.00 C ATOM 545 OE1 GLN A 43 10.106 -1.211 -7.623 1.00 0.00 O ATOM 546 NE2 GLN A 43 9.663 0.481 -9.025 1.00 0.00 N ATOM 0 H GLN A 43 7.740 -5.595 -10.035 1.00 0.00 H new ATOM 0 HA GLN A 43 6.145 -3.437 -8.794 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.520 -3.274 -7.980 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.085 -3.266 -9.639 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.961 -1.101 -10.047 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.287 -1.117 -8.430 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.053 0.869 -9.745 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.480 1.005 -8.712 1.00 0.00 H new ATOM 555 N CYS A 44 5.588 -2.471 -10.994 1.00 0.00 N ATOM 556 CA CYS A 44 5.175 -1.833 -12.252 1.00 0.00 C ATOM 557 C CYS A 44 6.220 -0.800 -12.674 1.00 0.00 C ATOM 558 O CYS A 44 6.300 0.285 -12.085 1.00 0.00 O ATOM 559 CB CYS A 44 3.799 -1.145 -12.085 1.00 0.00 C ATOM 560 SG CYS A 44 3.343 0.015 -13.441 1.00 0.00 S ATOM 0 H CYS A 44 5.020 -2.183 -10.197 1.00 0.00 H new ATOM 0 HA CYS A 44 5.091 -2.601 -13.021 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.031 -1.915 -12.011 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.794 -0.598 -11.142 1.00 0.00 H new ATOM 565 N GLU A 45 7.019 -1.141 -13.694 1.00 0.00 N ATOM 566 CA GLU A 45 8.033 -0.239 -14.273 1.00 0.00 C ATOM 567 C GLU A 45 7.439 0.530 -15.473 1.00 0.00 C ATOM 568 O GLU A 45 7.998 0.579 -16.575 1.00 0.00 O ATOM 569 CB GLU A 45 9.311 -1.041 -14.653 1.00 0.00 C ATOM 570 CG GLU A 45 10.524 -0.154 -15.015 1.00 0.00 C ATOM 571 CD GLU A 45 11.825 -0.942 -15.205 1.00 0.00 C ATOM 572 OE1 GLU A 45 12.476 -1.278 -14.200 1.00 0.00 O ATOM 573 OE2 GLU A 45 12.198 -1.239 -16.362 1.00 0.00 O ATOM 0 H GLU A 45 6.983 -2.055 -14.146 1.00 0.00 H new ATOM 0 HA GLU A 45 8.329 0.503 -13.531 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.583 -1.688 -13.819 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.083 -1.690 -15.499 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.303 0.393 -15.932 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.669 0.587 -14.229 1.00 0.00 H new ATOM 580 N ILE A 46 6.261 1.113 -15.237 1.00 0.00 N ATOM 581 CA ILE A 46 5.617 2.069 -16.141 1.00 0.00 C ATOM 582 C ILE A 46 5.591 3.398 -15.380 1.00 0.00 C ATOM 583 O ILE A 46 6.101 4.417 -15.843 1.00 0.00 O ATOM 584 CB ILE A 46 4.142 1.653 -16.550 1.00 0.00 C ATOM 585 CG1 ILE A 46 4.111 0.406 -17.513 1.00 0.00 C ATOM 586 CG2 ILE A 46 3.388 2.861 -17.155 1.00 0.00 C ATOM 587 CD1 ILE A 46 4.369 -0.942 -16.855 1.00 0.00 C ATOM 0 H ILE A 46 5.717 0.930 -14.394 1.00 0.00 H new ATOM 0 HA ILE A 46 6.172 2.121 -17.078 1.00 0.00 H new ATOM 0 HB ILE A 46 3.625 1.345 -15.641 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.137 0.371 -18.001 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.855 0.556 -18.296 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.378 2.558 -17.430 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.339 3.664 -16.420 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.916 3.212 -18.042 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.324 -1.729 -17.608 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.356 -0.938 -16.392 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.612 -1.126 -16.093 1.00 0.00 H new ATOM 599 N CYS A 47 5.001 3.348 -14.175 1.00 0.00 N ATOM 600 CA CYS A 47 4.953 4.470 -13.258 1.00 0.00 C ATOM 601 C CYS A 47 5.832 4.028 -12.086 1.00 0.00 C ATOM 602 O CYS A 47 7.051 3.898 -12.257 1.00 0.00 O ATOM 603 CB CYS A 47 3.461 4.773 -12.886 1.00 0.00 C ATOM 604 SG CYS A 47 2.626 3.508 -11.848 1.00 0.00 S ATOM 0 H CYS A 47 4.541 2.511 -13.817 1.00 0.00 H new ATOM 0 HA CYS A 47 5.326 5.412 -13.660 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.423 5.728 -12.363 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.893 4.892 -13.809 1.00 0.00 H new ATOM 609 N GLY A 48 5.253 3.817 -10.927 1.00 0.00 N ATOM 610 CA GLY A 48 5.768 2.901 -9.922 1.00 0.00 C ATOM 611 C GLY A 48 4.593 2.311 -9.154 1.00 0.00 C ATOM 612 O GLY A 48 3.561 2.992 -9.057 1.00 0.00 O ATOM 0 H GLY A 48 4.392 4.285 -10.645 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.347 2.108 -10.395 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.440 3.425 -9.242 1.00 0.00 H new ATOM 616 N PHE A 49 4.725 1.107 -8.555 1.00 0.00 N ATOM 617 CA PHE A 49 3.626 0.383 -7.901 1.00 0.00 C ATOM 618 C PHE A 49 4.202 -0.986 -7.549 1.00 0.00 C ATOM 619 O PHE A 49 4.501 -1.755 -8.452 1.00 0.00 O ATOM 620 CB PHE A 49 2.381 0.210 -8.830 1.00 0.00 C ATOM 621 CG PHE A 49 1.185 -0.511 -8.192 1.00 0.00 C ATOM 622 CD1 PHE A 49 1.062 -1.902 -8.255 1.00 0.00 C ATOM 623 CD2 PHE A 49 0.191 0.204 -7.533 1.00 0.00 C ATOM 624 CE1 PHE A 49 -0.017 -2.550 -7.681 1.00 0.00 C ATOM 625 CE2 PHE A 49 -0.889 -0.442 -6.961 1.00 0.00 C ATOM 626 CZ PHE A 49 -0.992 -1.821 -7.035 1.00 0.00 C ATOM 0 H PHE A 49 5.614 0.608 -8.515 1.00 0.00 H new ATOM 0 HA PHE A 49 3.273 0.937 -7.031 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.056 1.196 -9.162 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.685 -0.342 -9.720 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.822 -2.480 -8.760 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.264 1.280 -7.467 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.095 -3.626 -7.739 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.653 0.130 -6.456 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.836 -2.325 -6.587 1.00 0.00 H new ATOM 636 N THR A 50 4.334 -1.310 -6.267 1.00 0.00 N ATOM 637 CA THR A 50 4.926 -2.572 -5.833 1.00 0.00 C ATOM 638 C THR A 50 3.983 -3.227 -4.831 1.00 0.00 C ATOM 639 O THR A 50 3.412 -2.560 -3.955 1.00 0.00 O ATOM 640 CB THR A 50 6.330 -2.390 -5.180 1.00 0.00 C ATOM 641 OG1 THR A 50 7.140 -1.534 -5.993 1.00 0.00 O ATOM 642 CG2 THR A 50 7.076 -3.729 -4.979 1.00 0.00 C ATOM 0 H THR A 50 4.035 -0.707 -5.501 1.00 0.00 H new ATOM 0 HA THR A 50 5.066 -3.196 -6.715 1.00 0.00 H new ATOM 0 HB THR A 50 6.161 -1.949 -4.198 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.003 -1.386 -5.553 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.047 -3.539 -4.521 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.489 -4.379 -4.330 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.219 -4.214 -5.944 1.00 0.00 H new ATOM 650 N CYS A 51 3.841 -4.523 -4.981 1.00 0.00 N ATOM 651 CA CYS A 51 2.968 -5.346 -4.152 1.00 0.00 C ATOM 652 C CYS A 51 3.660 -6.648 -3.746 1.00 0.00 C ATOM 653 O CYS A 51 4.710 -7.013 -4.291 1.00 0.00 O ATOM 654 CB CYS A 51 1.655 -5.641 -4.908 1.00 0.00 C ATOM 655 SG CYS A 51 0.466 -6.617 -3.970 1.00 0.00 S ATOM 0 H CYS A 51 4.337 -5.054 -5.697 1.00 0.00 H new ATOM 0 HA CYS A 51 2.737 -4.796 -3.240 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.191 -4.696 -5.189 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.892 -6.168 -5.833 1.00 0.00 H new ATOM 0 HG CYS A 51 -0.437 -5.831 -3.464 1.00 0.00 H new ATOM 661 N ARG A 52 3.039 -7.328 -2.774 1.00 0.00 N ATOM 662 CA ARG A 52 3.473 -8.635 -2.276 1.00 0.00 C ATOM 663 C ARG A 52 3.217 -9.722 -3.338 1.00 0.00 C ATOM 664 O ARG A 52 3.984 -10.679 -3.459 1.00 0.00 O ATOM 665 CB ARG A 52 2.717 -8.952 -0.956 1.00 0.00 C ATOM 666 CG ARG A 52 3.201 -10.217 -0.213 1.00 0.00 C ATOM 667 CD ARG A 52 4.708 -10.162 0.112 1.00 0.00 C ATOM 668 NE ARG A 52 5.093 -8.906 0.800 1.00 0.00 N ATOM 669 CZ ARG A 52 5.325 -8.780 2.109 1.00 0.00 C ATOM 670 NH1 ARG A 52 5.227 -9.821 2.918 1.00 0.00 N ATOM 671 NH2 ARG A 52 5.638 -7.601 2.616 1.00 0.00 N ATOM 0 H ARG A 52 2.205 -6.976 -2.304 1.00 0.00 H new ATOM 0 HA ARG A 52 4.544 -8.616 -2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.812 -8.097 -0.286 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.656 -9.065 -1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.636 -10.332 0.712 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.995 -11.096 -0.824 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.973 -11.013 0.740 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.280 -10.257 -0.811 1.00 0.00 H new ATOM 0 HE ARG A 52 5.189 -8.069 0.226 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.971 -10.735 2.544 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.407 -9.710 3.916 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.703 -6.785 2.007 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.815 -7.507 3.616 1.00 0.00 H new ATOM 685 N GLN A 53 2.129 -9.555 -4.110 1.00 0.00 N ATOM 686 CA GLN A 53 1.750 -10.485 -5.190 1.00 0.00 C ATOM 687 C GLN A 53 1.682 -9.735 -6.525 1.00 0.00 C ATOM 688 O GLN A 53 1.114 -8.639 -6.603 1.00 0.00 O ATOM 689 CB GLN A 53 0.389 -11.171 -4.884 1.00 0.00 C ATOM 690 CG GLN A 53 0.334 -11.918 -3.531 1.00 0.00 C ATOM 691 CD GLN A 53 1.403 -13.011 -3.365 1.00 0.00 C ATOM 692 OE1 GLN A 53 1.821 -13.653 -4.335 1.00 0.00 O ATOM 693 NE2 GLN A 53 1.844 -13.234 -2.134 1.00 0.00 N ATOM 0 H GLN A 53 1.486 -8.770 -4.003 1.00 0.00 H new ATOM 0 HA GLN A 53 2.510 -11.263 -5.257 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.396 -10.414 -4.898 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.165 -11.877 -5.683 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.445 -11.193 -2.725 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.651 -12.371 -3.419 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.479 -12.687 -1.355 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.548 -13.953 -1.967 1.00 0.00 H new ATOM 702 N LYS A 54 2.281 -10.340 -7.571 1.00 0.00 N ATOM 703 CA LYS A 54 2.226 -9.822 -8.953 1.00 0.00 C ATOM 704 C LYS A 54 0.769 -9.718 -9.458 1.00 0.00 C ATOM 705 O LYS A 54 0.482 -8.938 -10.363 1.00 0.00 O ATOM 706 CB LYS A 54 3.075 -10.693 -9.922 1.00 0.00 C ATOM 707 CG LYS A 54 3.310 -10.051 -11.317 1.00 0.00 C ATOM 708 CD LYS A 54 4.145 -10.925 -12.291 1.00 0.00 C ATOM 709 CE LYS A 54 3.376 -12.125 -12.887 1.00 0.00 C ATOM 710 NZ LYS A 54 3.041 -13.176 -11.888 1.00 0.00 N ATOM 0 H LYS A 54 2.817 -11.203 -7.481 1.00 0.00 H new ATOM 0 HA LYS A 54 2.653 -8.819 -8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.041 -10.894 -9.460 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.580 -11.655 -10.056 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.343 -9.841 -11.774 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.814 -9.094 -11.183 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.504 -10.297 -13.107 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.024 -11.297 -11.764 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.455 -11.764 -13.344 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.974 -12.570 -13.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.093 -14.112 -12.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.717 -13.133 -11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.078 -13.018 -11.528 1.00 0.00 H new ATOM 724 N ALA A 55 -0.134 -10.497 -8.817 1.00 0.00 N ATOM 725 CA ALA A 55 -1.588 -10.498 -9.090 1.00 0.00 C ATOM 726 C ALA A 55 -2.206 -9.069 -9.045 1.00 0.00 C ATOM 727 O ALA A 55 -3.222 -8.816 -9.686 1.00 0.00 O ATOM 728 CB ALA A 55 -2.303 -11.422 -8.093 1.00 0.00 C ATOM 0 H ALA A 55 0.134 -11.153 -8.083 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.730 -10.870 -10.105 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.374 -11.420 -8.298 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.916 -12.436 -8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.127 -11.067 -7.077 1.00 0.00 H new ATOM 734 N SER A 56 -1.592 -8.174 -8.247 1.00 0.00 N ATOM 735 CA SER A 56 -1.994 -6.755 -8.161 1.00 0.00 C ATOM 736 C SER A 56 -1.487 -5.919 -9.379 1.00 0.00 C ATOM 737 O SER A 56 -2.284 -5.262 -10.059 1.00 0.00 O ATOM 738 CB SER A 56 -1.488 -6.152 -6.834 1.00 0.00 C ATOM 739 OG SER A 56 -1.946 -6.905 -5.725 1.00 0.00 O ATOM 0 H SER A 56 -0.805 -8.413 -7.644 1.00 0.00 H new ATOM 0 HA SER A 56 -3.083 -6.714 -8.187 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.398 -6.126 -6.835 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.832 -5.121 -6.745 1.00 0.00 H new ATOM 0 HG SER A 56 -1.180 -7.189 -5.184 1.00 0.00 H new ATOM 745 N LEU A 57 -0.166 -5.940 -9.646 1.00 0.00 N ATOM 746 CA LEU A 57 0.464 -5.054 -10.661 1.00 0.00 C ATOM 747 C LEU A 57 0.203 -5.508 -12.122 1.00 0.00 C ATOM 748 O LEU A 57 0.146 -4.661 -13.027 1.00 0.00 O ATOM 749 CB LEU A 57 1.997 -4.875 -10.414 1.00 0.00 C ATOM 750 CG LEU A 57 2.793 -6.157 -9.978 1.00 0.00 C ATOM 751 CD1 LEU A 57 4.174 -6.232 -10.653 1.00 0.00 C ATOM 752 CD2 LEU A 57 2.919 -6.231 -8.434 1.00 0.00 C ATOM 0 H LEU A 57 0.492 -6.561 -9.174 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.022 -4.087 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.447 -4.489 -11.329 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.132 -4.113 -9.647 1.00 0.00 H new ATOM 0 HG LEU A 57 2.225 -7.024 -10.315 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.691 -7.133 -10.324 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.049 -6.260 -11.735 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.761 -5.356 -10.378 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.474 -7.127 -8.157 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.447 -5.350 -8.069 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.925 -6.268 -7.989 1.00 0.00 H new ATOM 764 N ASN A 58 0.135 -6.832 -12.354 1.00 0.00 N ATOM 765 CA ASN A 58 -0.073 -7.403 -13.716 1.00 0.00 C ATOM 766 C ASN A 58 -1.333 -6.881 -14.440 1.00 0.00 C ATOM 767 O ASN A 58 -1.313 -6.734 -15.663 1.00 0.00 O ATOM 768 CB ASN A 58 -0.050 -8.962 -13.706 1.00 0.00 C ATOM 769 CG ASN A 58 -1.373 -9.625 -13.298 1.00 0.00 C ATOM 770 OD1 ASN A 58 -1.621 -9.866 -12.137 1.00 0.00 O ATOM 771 ND2 ASN A 58 -2.225 -9.938 -14.270 1.00 0.00 N ATOM 0 H ASN A 58 0.220 -7.535 -11.620 1.00 0.00 H new ATOM 0 HA ASN A 58 0.778 -7.044 -14.295 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.224 -9.313 -14.701 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.732 -9.295 -13.024 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.111 -10.392 -14.045 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.993 -9.725 -15.240 1.00 0.00 H new ATOM 778 N TRP A 59 -2.441 -6.665 -13.712 1.00 0.00 N ATOM 779 CA TRP A 59 -3.646 -6.012 -14.292 1.00 0.00 C ATOM 780 C TRP A 59 -3.539 -4.469 -14.203 1.00 0.00 C ATOM 781 O TRP A 59 -4.086 -3.759 -15.024 1.00 0.00 O ATOM 782 CB TRP A 59 -4.972 -6.518 -13.649 1.00 0.00 C ATOM 783 CG TRP A 59 -5.227 -6.062 -12.233 1.00 0.00 C ATOM 784 CD1 TRP A 59 -4.776 -6.648 -11.093 1.00 0.00 C ATOM 785 CD2 TRP A 59 -6.010 -4.930 -11.813 1.00 0.00 C ATOM 786 NE1 TRP A 59 -5.209 -5.951 -9.994 1.00 0.00 N ATOM 787 CE2 TRP A 59 -5.967 -4.888 -10.411 1.00 0.00 C ATOM 788 CE3 TRP A 59 -6.724 -3.936 -12.490 1.00 0.00 C ATOM 789 CZ2 TRP A 59 -6.622 -3.911 -9.670 1.00 0.00 C ATOM 790 CZ3 TRP A 59 -7.374 -2.963 -11.753 1.00 0.00 C ATOM 791 CH2 TRP A 59 -7.318 -2.954 -10.357 1.00 0.00 C ATOM 0 H TRP A 59 -2.536 -6.926 -12.731 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.680 -6.296 -15.344 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.805 -6.191 -14.272 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -4.970 -7.608 -13.666 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.163 -7.537 -11.057 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -5.001 -6.186 -9.023 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -6.767 -3.928 -13.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -6.583 -3.907 -8.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -7.935 -2.196 -12.266 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -7.833 -2.178 -9.810 1.00 0.00 H new ATOM 802 N HIS A 60 -2.938 -3.968 -13.109 1.00 0.00 N ATOM 803 CA HIS A 60 -2.587 -2.523 -12.965 1.00 0.00 C ATOM 804 C HIS A 60 -1.841 -1.908 -14.205 1.00 0.00 C ATOM 805 O HIS A 60 -1.986 -0.711 -14.469 1.00 0.00 O ATOM 806 CB HIS A 60 -1.795 -2.309 -11.641 1.00 0.00 C ATOM 807 CG HIS A 60 -1.104 -0.982 -11.510 1.00 0.00 C ATOM 808 ND1 HIS A 60 -1.718 0.205 -11.195 1.00 0.00 N ATOM 809 CD2 HIS A 60 0.174 -0.688 -11.756 1.00 0.00 C ATOM 810 CE1 HIS A 60 -0.793 1.166 -11.288 1.00 0.00 C ATOM 811 NE2 HIS A 60 0.386 0.674 -11.640 1.00 0.00 N ATOM 0 H HIS A 60 -2.680 -4.536 -12.302 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.526 -1.972 -12.921 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.483 -2.425 -10.803 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.049 -3.098 -11.553 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.697 0.330 -10.938 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.935 -1.411 -12.010 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.983 2.212 -11.100 1.00 0.00 H new ATOM 819 N MET A 61 -1.015 -2.687 -14.940 1.00 0.00 N ATOM 820 CA MET A 61 -0.445 -2.215 -16.242 1.00 0.00 C ATOM 821 C MET A 61 -1.531 -2.102 -17.360 1.00 0.00 C ATOM 822 O MET A 61 -1.425 -1.249 -18.244 1.00 0.00 O ATOM 823 CB MET A 61 0.747 -3.100 -16.688 1.00 0.00 C ATOM 824 CG MET A 61 0.401 -4.543 -17.034 1.00 0.00 C ATOM 825 SD MET A 61 1.866 -5.536 -17.411 1.00 0.00 S ATOM 826 CE MET A 61 2.732 -5.543 -15.839 1.00 0.00 C ATOM 0 H MET A 61 -0.727 -3.627 -14.669 1.00 0.00 H new ATOM 0 HA MET A 61 -0.065 -1.207 -16.076 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.214 -2.638 -17.558 1.00 0.00 H new ATOM 0 HB3 MET A 61 1.491 -3.104 -15.892 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.135 -4.995 -16.199 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.273 -4.556 -17.890 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.589 -4.871 -15.893 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.058 -5.209 -15.051 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.076 -6.553 -15.618 1.00 0.00 H new ATOM 836 N LYS A 62 -2.549 -2.980 -17.309 1.00 0.00 N ATOM 837 CA LYS A 62 -3.774 -2.857 -18.163 1.00 0.00 C ATOM 838 C LYS A 62 -4.491 -1.505 -17.933 1.00 0.00 C ATOM 839 O LYS A 62 -5.114 -0.977 -18.843 1.00 0.00 O ATOM 840 CB LYS A 62 -4.768 -4.027 -17.911 1.00 0.00 C ATOM 841 CG LYS A 62 -6.109 -3.966 -18.689 1.00 0.00 C ATOM 842 CD LYS A 62 -7.083 -5.101 -18.289 1.00 0.00 C ATOM 843 CE LYS A 62 -6.491 -6.506 -18.510 1.00 0.00 C ATOM 844 NZ LYS A 62 -7.447 -7.576 -18.146 1.00 0.00 N ATOM 0 H LYS A 62 -2.560 -3.789 -16.688 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.439 -2.904 -19.199 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.268 -4.962 -18.163 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.992 -4.063 -16.845 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.586 -3.003 -18.508 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.907 -4.026 -19.758 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.353 -4.987 -17.239 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.002 -5.005 -18.867 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.203 -6.618 -19.555 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.583 -6.614 -17.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.008 -8.504 -18.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.702 -7.486 -17.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.303 -7.490 -18.730 1.00 0.00 H new ATOM 858 N LYS A 63 -4.362 -0.951 -16.714 1.00 0.00 N ATOM 859 CA LYS A 63 -4.909 0.384 -16.374 1.00 0.00 C ATOM 860 C LYS A 63 -4.225 1.480 -17.213 1.00 0.00 C ATOM 861 O LYS A 63 -4.873 2.410 -17.684 1.00 0.00 O ATOM 862 CB LYS A 63 -4.733 0.681 -14.867 1.00 0.00 C ATOM 863 CG LYS A 63 -5.537 -0.249 -13.932 1.00 0.00 C ATOM 864 CD LYS A 63 -7.060 -0.023 -14.048 1.00 0.00 C ATOM 865 CE LYS A 63 -7.469 1.401 -13.631 1.00 0.00 C ATOM 866 NZ LYS A 63 -8.914 1.646 -13.818 1.00 0.00 N ATOM 0 H LYS A 63 -3.881 -1.408 -15.940 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.974 0.381 -16.605 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.675 0.602 -14.615 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.030 1.712 -14.676 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.307 -1.287 -14.171 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.225 -0.082 -12.901 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.375 -0.204 -15.076 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.582 -0.747 -13.422 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.208 1.560 -12.585 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.901 2.126 -14.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.142 2.617 -13.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.160 1.521 -14.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.458 0.973 -13.241 1.00 0.00 H new ATOM 880 N HIS A 64 -2.911 1.318 -17.434 1.00 0.00 N ATOM 881 CA HIS A 64 -2.110 2.245 -18.267 1.00 0.00 C ATOM 882 C HIS A 64 -2.472 2.076 -19.750 1.00 0.00 C ATOM 883 O HIS A 64 -2.330 3.004 -20.543 1.00 0.00 O ATOM 884 CB HIS A 64 -0.600 1.995 -18.068 1.00 0.00 C ATOM 885 CG HIS A 64 -0.102 2.318 -16.691 1.00 0.00 C ATOM 886 ND1 HIS A 64 0.082 3.603 -16.244 1.00 0.00 N ATOM 887 CD2 HIS A 64 0.311 1.509 -15.680 1.00 0.00 C ATOM 888 CE1 HIS A 64 0.596 3.540 -15.017 1.00 0.00 C ATOM 889 NE2 HIS A 64 0.758 2.292 -14.631 1.00 0.00 N ATOM 0 H HIS A 64 -2.370 0.546 -17.045 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.339 3.264 -17.956 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.384 0.949 -18.285 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.045 2.591 -18.792 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -0.136 4.455 -16.760 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.293 0.429 -15.693 1.00 0.00 H new ATOM 0 HE1 HIS A 64 0.847 4.402 -14.416 1.00 0.00 H new ATOM 897 N ASP A 65 -2.985 0.888 -20.088 1.00 0.00 N ATOM 898 CA ASP A 65 -3.403 0.531 -21.450 1.00 0.00 C ATOM 899 C ASP A 65 -4.843 1.041 -21.686 1.00 0.00 C ATOM 900 O ASP A 65 -5.223 1.367 -22.813 1.00 0.00 O ATOM 901 CB ASP A 65 -3.303 -1.020 -21.602 1.00 0.00 C ATOM 902 CG ASP A 65 -3.831 -1.579 -22.939 1.00 0.00 C ATOM 903 OD1 ASP A 65 -3.104 -1.504 -23.953 1.00 0.00 O ATOM 904 OD2 ASP A 65 -4.961 -2.130 -22.975 1.00 0.00 O ATOM 0 H ASP A 65 -3.124 0.136 -19.414 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.760 0.995 -22.198 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.260 -1.315 -21.489 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.856 -1.486 -20.787 1.00 0.00 H new ATOM 909 N ALA A 66 -5.594 1.221 -20.572 1.00 0.00 N ATOM 910 CA ALA A 66 -7.048 1.482 -20.583 1.00 0.00 C ATOM 911 C ALA A 66 -7.363 2.948 -20.218 1.00 0.00 C ATOM 912 O ALA A 66 -8.524 3.367 -20.262 1.00 0.00 O ATOM 913 CB ALA A 66 -7.764 0.507 -19.627 1.00 0.00 C ATOM 0 H ALA A 66 -5.199 1.188 -19.632 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.418 1.317 -21.595 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.836 0.705 -19.640 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.581 -0.518 -19.949 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.382 0.644 -18.615 1.00 0.00 H new ATOM 919 N ASP A 67 -6.327 3.728 -19.858 1.00 0.00 N ATOM 920 CA ASP A 67 -6.470 5.173 -19.579 1.00 0.00 C ATOM 921 C ASP A 67 -5.877 5.983 -20.744 1.00 0.00 C ATOM 922 O ASP A 67 -6.159 7.179 -20.876 1.00 0.00 O ATOM 923 CB ASP A 67 -5.772 5.567 -18.238 1.00 0.00 C ATOM 924 CG ASP A 67 -6.652 5.339 -16.985 1.00 0.00 C ATOM 925 OD1 ASP A 67 -7.425 6.253 -16.617 1.00 0.00 O ATOM 926 OD2 ASP A 67 -6.569 4.260 -16.357 1.00 0.00 O ATOM 0 H ASP A 67 -5.374 3.380 -19.752 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.531 5.400 -19.479 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.853 4.990 -18.135 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.486 6.618 -18.283 1.00 0.00 H new ATOM 931 N SER A 68 -5.036 5.325 -21.571 1.00 0.00 N ATOM 932 CA SER A 68 -4.336 5.986 -22.681 1.00 0.00 C ATOM 933 C SER A 68 -5.166 5.906 -23.982 1.00 0.00 C ATOM 934 O SER A 68 -5.684 6.930 -24.447 1.00 0.00 O ATOM 935 CB SER A 68 -2.932 5.368 -22.866 1.00 0.00 C ATOM 936 OG SER A 68 -2.137 5.537 -21.705 1.00 0.00 O ATOM 0 H SER A 68 -4.828 4.330 -21.485 1.00 0.00 H new ATOM 0 HA SER A 68 -4.213 7.042 -22.440 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.027 4.306 -23.093 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.437 5.833 -23.719 1.00 0.00 H new ATOM 0 HG SER A 68 -2.135 4.706 -21.186 1.00 0.00 H new ATOM 942 N PHE A 69 -5.316 4.689 -24.572 1.00 0.00 N ATOM 943 CA PHE A 69 -5.986 4.522 -25.895 1.00 0.00 C ATOM 944 C PHE A 69 -6.946 3.321 -25.929 1.00 0.00 C ATOM 945 O PHE A 69 -8.064 3.440 -26.442 1.00 0.00 O ATOM 946 CB PHE A 69 -4.924 4.377 -27.026 1.00 0.00 C ATOM 947 CG PHE A 69 -4.110 5.640 -27.291 1.00 0.00 C ATOM 948 CD1 PHE A 69 -4.591 6.630 -28.144 1.00 0.00 C ATOM 949 CD2 PHE A 69 -2.879 5.847 -26.672 1.00 0.00 C ATOM 950 CE1 PHE A 69 -3.862 7.778 -28.368 1.00 0.00 C ATOM 951 CE2 PHE A 69 -2.155 6.998 -26.898 1.00 0.00 C ATOM 952 CZ PHE A 69 -2.649 7.965 -27.747 1.00 0.00 C ATOM 0 H PHE A 69 -4.986 3.817 -24.159 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.582 5.420 -26.058 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.242 3.568 -26.766 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.429 4.085 -27.947 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.544 6.497 -28.634 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.486 5.094 -26.005 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.246 8.536 -29.035 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.202 7.142 -26.411 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.084 8.868 -27.924 1.00 0.00 H new ATOM 962 N TYR A 70 -6.520 2.168 -25.383 1.00 0.00 N ATOM 963 CA TYR A 70 -7.317 0.920 -25.421 1.00 0.00 C ATOM 964 C TYR A 70 -8.217 0.889 -24.174 1.00 0.00 C ATOM 965 O TYR A 70 -8.066 0.035 -23.297 1.00 0.00 O ATOM 966 CB TYR A 70 -6.395 -0.332 -25.492 1.00 0.00 C ATOM 967 CG TYR A 70 -5.348 -0.316 -26.620 1.00 0.00 C ATOM 968 CD1 TYR A 70 -4.105 0.288 -26.437 1.00 0.00 C ATOM 969 CD2 TYR A 70 -5.593 -0.911 -27.862 1.00 0.00 C ATOM 970 CE1 TYR A 70 -3.148 0.291 -27.431 1.00 0.00 C ATOM 971 CE2 TYR A 70 -4.637 -0.909 -28.862 1.00 0.00 C ATOM 972 CZ TYR A 70 -3.417 -0.306 -28.641 1.00 0.00 C ATOM 973 OH TYR A 70 -2.457 -0.303 -29.637 1.00 0.00 O ATOM 0 H TYR A 70 -5.623 2.071 -24.907 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.936 0.900 -26.318 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.876 -0.435 -24.539 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -7.020 -1.217 -25.612 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.886 0.766 -25.494 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.548 -1.382 -28.044 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.191 0.761 -27.260 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.846 -1.378 -29.812 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.804 -0.766 -30.428 1.00 0.00 H new ATOM 983 N GLN A 71 -9.152 1.852 -24.141 1.00 0.00 N ATOM 984 CA GLN A 71 -10.000 2.180 -22.975 1.00 0.00 C ATOM 985 C GLN A 71 -10.744 0.951 -22.446 1.00 0.00 C ATOM 986 O GLN A 71 -10.630 0.591 -21.274 1.00 0.00 O ATOM 987 CB GLN A 71 -11.012 3.291 -23.375 1.00 0.00 C ATOM 988 CG GLN A 71 -10.355 4.627 -23.780 1.00 0.00 C ATOM 989 CD GLN A 71 -11.326 5.620 -24.424 1.00 0.00 C ATOM 990 OE1 GLN A 71 -12.290 5.231 -25.094 1.00 0.00 O ATOM 991 NE2 GLN A 71 -11.076 6.907 -24.238 1.00 0.00 N ATOM 0 H GLN A 71 -9.348 2.444 -24.948 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.354 2.536 -22.172 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.620 2.931 -24.205 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.688 3.470 -22.539 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.912 5.087 -22.896 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.541 4.425 -24.476 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.272 7.195 -23.680 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.687 7.610 -24.653 1.00 0.00 H new ATOM 1000 N PHE A 72 -11.496 0.306 -23.342 1.00 0.00 N ATOM 1001 CA PHE A 72 -12.261 -0.901 -23.051 1.00 0.00 C ATOM 1002 C PHE A 72 -12.129 -1.831 -24.250 1.00 0.00 C ATOM 1003 O PHE A 72 -12.218 -1.402 -25.399 1.00 0.00 O ATOM 1004 CB PHE A 72 -13.757 -0.573 -22.760 1.00 0.00 C ATOM 1005 CG PHE A 72 -13.986 0.114 -21.412 1.00 0.00 C ATOM 1006 CD1 PHE A 72 -14.191 -0.629 -20.250 1.00 0.00 C ATOM 1007 CD2 PHE A 72 -13.962 1.504 -21.307 1.00 0.00 C ATOM 1008 CE1 PHE A 72 -14.373 -0.002 -19.027 1.00 0.00 C ATOM 1009 CE2 PHE A 72 -14.136 2.125 -20.084 1.00 0.00 C ATOM 1010 CZ PHE A 72 -14.345 1.375 -18.949 1.00 0.00 C ATOM 0 H PHE A 72 -11.589 0.618 -24.309 1.00 0.00 H new ATOM 0 HA PHE A 72 -11.870 -1.381 -22.154 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.140 0.068 -23.554 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -14.335 -1.497 -22.790 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -14.208 -1.708 -20.303 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -13.806 2.103 -22.192 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -14.536 -0.591 -18.137 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -14.108 3.203 -20.019 1.00 0.00 H new ATOM 0 HZ PHE A 72 -14.487 1.865 -17.997 1.00 0.00 H new ATOM 1020 N SER A 73 -11.942 -3.099 -23.957 1.00 0.00 N ATOM 1021 CA SER A 73 -11.679 -4.149 -24.929 1.00 0.00 C ATOM 1022 C SER A 73 -12.775 -5.207 -24.839 1.00 0.00 C ATOM 1023 O SER A 73 -13.222 -5.550 -23.740 1.00 0.00 O ATOM 1024 CB SER A 73 -10.290 -4.765 -24.620 1.00 0.00 C ATOM 1025 OG SER A 73 -9.273 -3.771 -24.645 1.00 0.00 O ATOM 0 H SER A 73 -11.969 -3.445 -22.998 1.00 0.00 H new ATOM 0 HA SER A 73 -11.676 -3.746 -25.942 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.311 -5.244 -23.641 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.062 -5.541 -25.350 1.00 0.00 H new ATOM 0 HG SER A 73 -8.407 -4.184 -24.446 1.00 0.00 H new ATOM 1031 N CYS A 74 -13.226 -5.694 -25.997 1.00 0.00 N ATOM 1032 CA CYS A 74 -14.107 -6.853 -26.070 1.00 0.00 C ATOM 1033 C CYS A 74 -13.196 -8.073 -26.103 1.00 0.00 C ATOM 1034 O CYS A 74 -12.555 -8.314 -27.104 1.00 0.00 O ATOM 1035 CB CYS A 74 -15.018 -6.803 -27.315 1.00 0.00 C ATOM 1036 SG CYS A 74 -15.885 -8.369 -27.662 1.00 0.00 S ATOM 0 H CYS A 74 -12.990 -5.295 -26.905 1.00 0.00 H new ATOM 0 HA CYS A 74 -14.781 -6.882 -25.214 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -15.757 -6.013 -27.181 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -14.416 -6.533 -28.183 1.00 0.00 H new ATOM 1041 N ASN A 75 -13.107 -8.814 -24.989 1.00 0.00 N ATOM 1042 CA ASN A 75 -12.157 -9.948 -24.830 1.00 0.00 C ATOM 1043 C ASN A 75 -12.353 -11.064 -25.894 1.00 0.00 C ATOM 1044 O ASN A 75 -11.537 -11.978 -25.981 1.00 0.00 O ATOM 1045 CB ASN A 75 -12.269 -10.538 -23.393 1.00 0.00 C ATOM 1046 CG ASN A 75 -11.882 -9.554 -22.272 1.00 0.00 C ATOM 1047 OD1 ASN A 75 -12.038 -8.333 -22.398 1.00 0.00 O ATOM 1048 ND2 ASN A 75 -11.388 -10.085 -21.159 1.00 0.00 N ATOM 0 H ASN A 75 -13.688 -8.652 -24.167 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.156 -9.547 -24.987 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.293 -10.873 -23.229 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.631 -11.419 -23.324 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.126 -9.482 -20.379 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.271 -11.095 -21.084 1.00 0.00 H new ATOM 1055 N ILE A 76 -13.441 -10.978 -26.698 1.00 0.00 N ATOM 1056 CA ILE A 76 -13.735 -11.939 -27.777 1.00 0.00 C ATOM 1057 C ILE A 76 -13.186 -11.462 -29.154 1.00 0.00 C ATOM 1058 O ILE A 76 -12.544 -12.248 -29.864 1.00 0.00 O ATOM 1059 CB ILE A 76 -15.288 -12.206 -27.880 1.00 0.00 C ATOM 1060 CG1 ILE A 76 -15.858 -12.616 -26.477 1.00 0.00 C ATOM 1061 CG2 ILE A 76 -15.620 -13.260 -28.968 1.00 0.00 C ATOM 1062 CD1 ILE A 76 -17.256 -13.193 -26.459 1.00 0.00 C ATOM 0 H ILE A 76 -14.137 -10.237 -26.612 1.00 0.00 H new ATOM 0 HA ILE A 76 -13.227 -12.868 -27.521 1.00 0.00 H new ATOM 0 HB ILE A 76 -15.775 -11.281 -28.189 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -15.181 -13.347 -26.034 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -15.843 -11.737 -25.833 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -16.698 -13.415 -29.007 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.269 -12.906 -29.937 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -15.127 -14.201 -28.725 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -17.536 -13.436 -25.434 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -17.957 -12.462 -26.863 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -17.284 -14.097 -27.067 1.00 0.00 H new ATOM 1074 N CYS A 77 -13.440 -10.180 -29.547 1.00 0.00 N ATOM 1075 CA CYS A 77 -13.078 -9.708 -30.923 1.00 0.00 C ATOM 1076 C CYS A 77 -12.326 -8.358 -30.931 1.00 0.00 C ATOM 1077 O CYS A 77 -12.051 -7.808 -32.004 1.00 0.00 O ATOM 1078 CB CYS A 77 -14.338 -9.642 -31.823 1.00 0.00 C ATOM 1079 SG CYS A 77 -15.486 -8.269 -31.475 1.00 0.00 S ATOM 0 H CYS A 77 -13.879 -9.474 -28.956 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.383 -10.443 -31.329 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -14.017 -9.568 -32.862 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -14.883 -10.581 -31.724 1.00 0.00 H new ATOM 1084 N GLY A 78 -11.997 -7.844 -29.737 1.00 0.00 N ATOM 1085 CA GLY A 78 -11.222 -6.608 -29.571 1.00 0.00 C ATOM 1086 C GLY A 78 -11.812 -5.399 -30.276 1.00 0.00 C ATOM 1087 O GLY A 78 -11.075 -4.566 -30.794 1.00 0.00 O ATOM 0 H GLY A 78 -12.264 -8.278 -28.853 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.136 -6.387 -28.507 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.212 -6.774 -29.944 1.00 0.00 H new ATOM 1091 N LYS A 79 -13.159 -5.328 -30.320 1.00 0.00 N ATOM 1092 CA LYS A 79 -13.883 -4.292 -31.069 1.00 0.00 C ATOM 1093 C LYS A 79 -13.634 -2.878 -30.480 1.00 0.00 C ATOM 1094 O LYS A 79 -13.684 -1.895 -31.219 1.00 0.00 O ATOM 1095 CB LYS A 79 -15.390 -4.684 -31.109 1.00 0.00 C ATOM 1096 CG LYS A 79 -16.175 -4.160 -32.335 1.00 0.00 C ATOM 1097 CD LYS A 79 -16.612 -2.677 -32.230 1.00 0.00 C ATOM 1098 CE LYS A 79 -17.166 -2.113 -33.545 1.00 0.00 C ATOM 1099 NZ LYS A 79 -16.094 -1.955 -34.567 1.00 0.00 N ATOM 0 H LYS A 79 -13.769 -5.987 -29.837 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.511 -4.238 -32.092 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -15.467 -5.771 -31.086 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.870 -4.311 -30.204 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.558 -4.282 -33.225 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -17.062 -4.778 -32.475 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -17.372 -2.583 -31.454 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -15.759 -2.076 -31.915 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -17.941 -2.777 -33.929 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -17.637 -1.148 -33.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.473 -1.448 -35.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.304 -1.414 -34.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.755 -2.893 -34.862 1.00 0.00 H new ATOM 1113 N LYS A 80 -13.365 -2.806 -29.147 1.00 0.00 N ATOM 1114 CA LYS A 80 -12.955 -1.570 -28.434 1.00 0.00 C ATOM 1115 C LYS A 80 -14.131 -0.586 -28.323 1.00 0.00 C ATOM 1116 O LYS A 80 -14.661 -0.129 -29.339 1.00 0.00 O ATOM 1117 CB LYS A 80 -11.724 -0.865 -29.087 1.00 0.00 C ATOM 1118 CG LYS A 80 -10.468 -1.743 -29.273 1.00 0.00 C ATOM 1119 CD LYS A 80 -9.843 -2.265 -27.955 1.00 0.00 C ATOM 1120 CE LYS A 80 -8.586 -3.108 -28.229 1.00 0.00 C ATOM 1121 NZ LYS A 80 -7.919 -3.570 -26.994 1.00 0.00 N ATOM 0 H LYS A 80 -13.429 -3.617 -28.532 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.649 -1.883 -27.436 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.024 -0.481 -30.062 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.455 -0.004 -28.475 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.727 -2.597 -29.899 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.716 -1.168 -29.813 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.586 -1.422 -27.313 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.576 -2.865 -27.415 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.860 -3.973 -28.833 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.882 -2.519 -28.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.773 -4.599 -27.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.999 -3.094 -26.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.514 -3.343 -26.172 1.00 0.00 H new ATOM 1135 N PHE A 81 -14.559 -0.298 -27.085 1.00 0.00 N ATOM 1136 CA PHE A 81 -15.687 0.629 -26.821 1.00 0.00 C ATOM 1137 C PHE A 81 -15.298 1.720 -25.822 1.00 0.00 C ATOM 1138 O PHE A 81 -14.296 1.602 -25.107 1.00 0.00 O ATOM 1139 CB PHE A 81 -16.918 -0.150 -26.315 1.00 0.00 C ATOM 1140 CG PHE A 81 -17.493 -1.115 -27.349 1.00 0.00 C ATOM 1141 CD1 PHE A 81 -16.963 -2.395 -27.514 1.00 0.00 C ATOM 1142 CD2 PHE A 81 -18.553 -0.730 -28.175 1.00 0.00 C ATOM 1143 CE1 PHE A 81 -17.480 -3.250 -28.454 1.00 0.00 C ATOM 1144 CE2 PHE A 81 -19.066 -1.592 -29.117 1.00 0.00 C ATOM 1145 CZ PHE A 81 -18.529 -2.846 -29.252 1.00 0.00 C ATOM 0 H PHE A 81 -14.143 -0.693 -26.242 1.00 0.00 H new ATOM 0 HA PHE A 81 -15.940 1.117 -27.762 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -16.642 -0.709 -25.421 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -17.692 0.559 -26.021 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -16.138 -2.716 -26.896 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -18.976 0.259 -28.072 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -17.065 -4.240 -28.569 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -19.887 -1.282 -29.746 1.00 0.00 H new ATOM 0 HZ PHE A 81 -18.931 -3.524 -29.990 1.00 0.00 H new ATOM 1155 N GLU A 82 -16.084 2.811 -25.838 1.00 0.00 N ATOM 1156 CA GLU A 82 -15.928 3.953 -24.923 1.00 0.00 C ATOM 1157 C GLU A 82 -16.188 3.555 -23.457 1.00 0.00 C ATOM 1158 O GLU A 82 -15.478 4.007 -22.550 1.00 0.00 O ATOM 1159 CB GLU A 82 -16.893 5.097 -25.348 1.00 0.00 C ATOM 1160 CG GLU A 82 -16.809 6.359 -24.470 1.00 0.00 C ATOM 1161 CD GLU A 82 -17.723 7.508 -24.921 1.00 0.00 C ATOM 1162 OE1 GLU A 82 -17.307 8.314 -25.779 1.00 0.00 O ATOM 1163 OE2 GLU A 82 -18.859 7.616 -24.412 1.00 0.00 O ATOM 0 H GLU A 82 -16.855 2.925 -26.496 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.896 4.298 -24.988 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.678 5.373 -26.380 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.916 4.721 -25.325 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -17.062 6.091 -23.444 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.778 6.713 -24.462 1.00 0.00 H new ATOM 1170 N LYS A 83 -17.210 2.706 -23.240 1.00 0.00 N ATOM 1171 CA LYS A 83 -17.632 2.284 -21.907 1.00 0.00 C ATOM 1172 C LYS A 83 -17.908 0.780 -21.898 1.00 0.00 C ATOM 1173 O LYS A 83 -18.229 0.178 -22.936 1.00 0.00 O ATOM 1174 CB LYS A 83 -18.878 3.091 -21.444 1.00 0.00 C ATOM 1175 CG LYS A 83 -20.100 2.999 -22.384 1.00 0.00 C ATOM 1176 CD LYS A 83 -21.308 3.849 -21.904 1.00 0.00 C ATOM 1177 CE LYS A 83 -21.000 5.360 -21.841 1.00 0.00 C ATOM 1178 NZ LYS A 83 -20.647 5.919 -23.166 1.00 0.00 N ATOM 0 H LYS A 83 -17.763 2.296 -23.993 1.00 0.00 H new ATOM 0 HA LYS A 83 -16.828 2.488 -21.200 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -19.172 2.741 -20.455 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.596 4.139 -21.340 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -19.808 3.326 -23.382 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -20.408 1.957 -22.468 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -22.150 3.684 -22.576 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -21.616 3.506 -20.916 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -21.867 5.889 -21.446 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -20.178 5.532 -21.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -19.724 6.394 -23.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -20.597 5.150 -23.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -21.372 6.605 -23.458 1.00 0.00 H new ATOM 1192 N LYS A 84 -17.775 0.204 -20.700 1.00 0.00 N ATOM 1193 CA LYS A 84 -18.037 -1.220 -20.426 1.00 0.00 C ATOM 1194 C LYS A 84 -19.493 -1.594 -20.751 1.00 0.00 C ATOM 1195 O LYS A 84 -19.772 -2.725 -21.135 1.00 0.00 O ATOM 1196 CB LYS A 84 -17.707 -1.551 -18.947 1.00 0.00 C ATOM 1197 CG LYS A 84 -18.455 -0.687 -17.903 1.00 0.00 C ATOM 1198 CD LYS A 84 -17.986 -0.960 -16.456 1.00 0.00 C ATOM 1199 CE LYS A 84 -18.255 -2.403 -15.997 1.00 0.00 C ATOM 1200 NZ LYS A 84 -19.707 -2.711 -15.932 1.00 0.00 N ATOM 0 H LYS A 84 -17.476 0.722 -19.873 1.00 0.00 H new ATOM 0 HA LYS A 84 -17.390 -1.813 -21.073 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -17.941 -2.600 -18.764 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.634 -1.432 -18.794 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -18.306 0.367 -18.136 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -19.525 -0.881 -17.976 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -16.918 -0.754 -16.382 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.491 -0.270 -15.780 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.769 -3.097 -16.683 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.808 -2.559 -15.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -19.842 -3.664 -15.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -20.183 -2.014 -15.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -20.114 -2.671 -16.888 1.00 0.00 H new ATOM 1214 N ASP A 85 -20.410 -0.621 -20.583 1.00 0.00 N ATOM 1215 CA ASP A 85 -21.840 -0.773 -20.934 1.00 0.00 C ATOM 1216 C ASP A 85 -21.998 -1.163 -22.408 1.00 0.00 C ATOM 1217 O ASP A 85 -22.763 -2.070 -22.730 1.00 0.00 O ATOM 1218 CB ASP A 85 -22.625 0.530 -20.668 1.00 0.00 C ATOM 1219 CG ASP A 85 -22.531 1.000 -19.215 1.00 0.00 C ATOM 1220 OD1 ASP A 85 -21.445 1.462 -18.798 1.00 0.00 O ATOM 1221 OD2 ASP A 85 -23.530 0.901 -18.470 1.00 0.00 O ATOM 0 H ASP A 85 -20.181 0.296 -20.199 1.00 0.00 H new ATOM 0 HA ASP A 85 -22.245 -1.564 -20.303 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.247 1.315 -21.323 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -23.672 0.376 -20.927 1.00 0.00 H new ATOM 1226 N SER A 86 -21.244 -0.470 -23.287 1.00 0.00 N ATOM 1227 CA SER A 86 -21.256 -0.726 -24.730 1.00 0.00 C ATOM 1228 C SER A 86 -20.638 -2.108 -25.075 1.00 0.00 C ATOM 1229 O SER A 86 -21.048 -2.741 -26.047 1.00 0.00 O ATOM 1230 CB SER A 86 -20.520 0.413 -25.471 1.00 0.00 C ATOM 1231 OG SER A 86 -21.130 1.664 -25.218 1.00 0.00 O ATOM 0 H SER A 86 -20.612 0.281 -23.009 1.00 0.00 H new ATOM 0 HA SER A 86 -22.294 -0.751 -25.063 1.00 0.00 H new ATOM 0 HB2 SER A 86 -19.477 0.443 -25.154 1.00 0.00 H new ATOM 0 HB3 SER A 86 -20.522 0.214 -26.543 1.00 0.00 H new ATOM 0 HG SER A 86 -20.644 2.368 -25.697 1.00 0.00 H new ATOM 1237 N VAL A 87 -19.664 -2.558 -24.252 1.00 0.00 N ATOM 1238 CA VAL A 87 -18.921 -3.829 -24.478 1.00 0.00 C ATOM 1239 C VAL A 87 -19.807 -5.035 -24.138 1.00 0.00 C ATOM 1240 O VAL A 87 -19.903 -5.989 -24.909 1.00 0.00 O ATOM 1241 CB VAL A 87 -17.595 -3.937 -23.613 1.00 0.00 C ATOM 1242 CG1 VAL A 87 -16.817 -5.238 -23.929 1.00 0.00 C ATOM 1243 CG2 VAL A 87 -16.682 -2.701 -23.793 1.00 0.00 C ATOM 0 H VAL A 87 -19.368 -2.056 -23.415 1.00 0.00 H new ATOM 0 HA VAL A 87 -18.645 -3.828 -25.532 1.00 0.00 H new ATOM 0 HB VAL A 87 -17.905 -3.969 -22.569 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -15.915 -5.280 -23.319 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -17.445 -6.101 -23.707 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -16.543 -5.251 -24.984 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -15.787 -2.818 -23.183 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -16.397 -2.609 -24.841 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -17.218 -1.804 -23.482 1.00 0.00 H new ATOM 1253 N VAL A 88 -20.430 -4.952 -22.958 1.00 0.00 N ATOM 1254 CA VAL A 88 -21.231 -6.027 -22.350 1.00 0.00 C ATOM 1255 C VAL A 88 -22.570 -6.155 -23.090 1.00 0.00 C ATOM 1256 O VAL A 88 -23.081 -7.265 -23.282 1.00 0.00 O ATOM 1257 CB VAL A 88 -21.444 -5.754 -20.812 1.00 0.00 C ATOM 1258 CG1 VAL A 88 -22.391 -6.792 -20.147 1.00 0.00 C ATOM 1259 CG2 VAL A 88 -20.078 -5.713 -20.083 1.00 0.00 C ATOM 0 H VAL A 88 -20.392 -4.112 -22.380 1.00 0.00 H new ATOM 0 HA VAL A 88 -20.697 -6.973 -22.443 1.00 0.00 H new ATOM 0 HB VAL A 88 -21.930 -4.783 -20.720 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -22.503 -6.557 -19.089 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -23.367 -6.757 -20.631 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -21.968 -7.791 -20.254 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -20.238 -5.524 -19.021 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -19.570 -6.669 -20.209 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -19.464 -4.917 -20.505 1.00 0.00 H new ATOM 1269 N ALA A 89 -23.099 -4.995 -23.540 1.00 0.00 N ATOM 1270 CA ALA A 89 -24.303 -4.946 -24.392 1.00 0.00 C ATOM 1271 C ALA A 89 -23.999 -5.624 -25.742 1.00 0.00 C ATOM 1272 O ALA A 89 -24.812 -6.378 -26.275 1.00 0.00 O ATOM 1273 CB ALA A 89 -24.774 -3.495 -24.614 1.00 0.00 C ATOM 0 H ALA A 89 -22.707 -4.078 -23.325 1.00 0.00 H new ATOM 0 HA ALA A 89 -25.109 -5.479 -23.888 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -25.662 -3.493 -25.245 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -25.011 -3.038 -23.653 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -23.982 -2.926 -25.101 1.00 0.00 H new ATOM 1279 N HIS A 90 -22.782 -5.358 -26.254 1.00 0.00 N ATOM 1280 CA HIS A 90 -22.291 -5.926 -27.524 1.00 0.00 C ATOM 1281 C HIS A 90 -21.948 -7.421 -27.384 1.00 0.00 C ATOM 1282 O HIS A 90 -22.091 -8.167 -28.321 1.00 0.00 O ATOM 1283 CB HIS A 90 -21.061 -5.102 -28.018 1.00 0.00 C ATOM 1284 CG HIS A 90 -20.085 -5.827 -28.905 1.00 0.00 C ATOM 1285 ND1 HIS A 90 -20.185 -5.911 -30.270 1.00 0.00 N ATOM 1286 CD2 HIS A 90 -18.941 -6.465 -28.575 1.00 0.00 C ATOM 1287 CE1 HIS A 90 -19.123 -6.587 -30.714 1.00 0.00 C ATOM 1288 NE2 HIS A 90 -18.332 -6.939 -29.717 1.00 0.00 N ATOM 0 H HIS A 90 -22.110 -4.741 -25.797 1.00 0.00 H new ATOM 0 HA HIS A 90 -23.085 -5.858 -28.268 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -21.428 -4.228 -28.556 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -20.522 -4.735 -27.145 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -20.936 -5.526 -30.843 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -18.562 -6.585 -27.571 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -18.935 -6.816 -31.753 1.00 0.00 H new ATOM 1296 N LYS A 91 -21.443 -7.829 -26.224 1.00 0.00 N ATOM 1297 CA LYS A 91 -20.997 -9.215 -25.976 1.00 0.00 C ATOM 1298 C LYS A 91 -22.213 -10.133 -25.828 1.00 0.00 C ATOM 1299 O LYS A 91 -22.206 -11.280 -26.283 1.00 0.00 O ATOM 1300 CB LYS A 91 -20.096 -9.278 -24.712 1.00 0.00 C ATOM 1301 CG LYS A 91 -19.582 -10.689 -24.346 1.00 0.00 C ATOM 1302 CD LYS A 91 -18.711 -10.702 -23.068 1.00 0.00 C ATOM 1303 CE LYS A 91 -19.456 -10.178 -21.827 1.00 0.00 C ATOM 1304 NZ LYS A 91 -18.628 -10.274 -20.606 1.00 0.00 N ATOM 0 H LYS A 91 -21.327 -7.212 -25.420 1.00 0.00 H new ATOM 0 HA LYS A 91 -20.406 -9.556 -26.826 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -19.238 -8.623 -24.863 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -20.655 -8.881 -23.865 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -20.434 -11.355 -24.206 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -19.001 -11.086 -25.179 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -18.370 -11.720 -22.878 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.822 -10.094 -23.235 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -19.745 -9.140 -21.989 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -20.375 -10.747 -21.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -19.165 -9.911 -19.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.373 -11.268 -20.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.763 -9.710 -20.728 1.00 0.00 H new ATOM 1318 N ALA A 92 -23.258 -9.583 -25.196 1.00 0.00 N ATOM 1319 CA ALA A 92 -24.546 -10.252 -25.025 1.00 0.00 C ATOM 1320 C ALA A 92 -25.205 -10.541 -26.389 1.00 0.00 C ATOM 1321 O ALA A 92 -25.787 -11.614 -26.600 1.00 0.00 O ATOM 1322 CB ALA A 92 -25.470 -9.395 -24.146 1.00 0.00 C ATOM 0 H ALA A 92 -23.228 -8.650 -24.786 1.00 0.00 H new ATOM 0 HA ALA A 92 -24.376 -11.208 -24.529 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -26.428 -9.901 -24.024 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -25.010 -9.248 -23.169 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -25.629 -8.427 -24.621 1.00 0.00 H new ATOM 1328 N LYS A 93 -25.063 -9.584 -27.327 1.00 0.00 N ATOM 1329 CA LYS A 93 -25.814 -9.592 -28.603 1.00 0.00 C ATOM 1330 C LYS A 93 -24.997 -10.196 -29.768 1.00 0.00 C ATOM 1331 O LYS A 93 -25.507 -11.047 -30.513 1.00 0.00 O ATOM 1332 CB LYS A 93 -26.268 -8.153 -28.955 1.00 0.00 C ATOM 1333 CG LYS A 93 -27.275 -7.542 -27.955 1.00 0.00 C ATOM 1334 CD LYS A 93 -27.646 -6.080 -28.306 1.00 0.00 C ATOM 1335 CE LYS A 93 -28.319 -5.940 -29.686 1.00 0.00 C ATOM 1336 NZ LYS A 93 -29.650 -6.583 -29.728 1.00 0.00 N ATOM 0 H LYS A 93 -24.431 -8.790 -27.226 1.00 0.00 H new ATOM 0 HA LYS A 93 -26.686 -10.230 -28.463 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -25.390 -7.510 -29.007 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -26.718 -8.159 -29.948 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -28.180 -8.149 -27.939 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -26.851 -7.575 -26.951 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -28.316 -5.688 -27.541 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -26.744 -5.468 -28.285 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -28.420 -4.883 -29.933 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -27.678 -6.385 -30.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -30.071 -6.449 -30.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -29.550 -7.600 -29.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -30.266 -6.153 -29.009 1.00 0.00 H new ATOM 1350 N SER A 94 -23.733 -9.767 -29.905 1.00 0.00 N ATOM 1351 CA SER A 94 -22.862 -10.141 -31.033 1.00 0.00 C ATOM 1352 C SER A 94 -22.261 -11.535 -30.814 1.00 0.00 C ATOM 1353 O SER A 94 -21.833 -12.191 -31.767 1.00 0.00 O ATOM 1354 CB SER A 94 -21.732 -9.091 -31.228 1.00 0.00 C ATOM 1355 OG SER A 94 -20.847 -9.432 -32.284 1.00 0.00 O ATOM 0 H SER A 94 -23.282 -9.147 -29.232 1.00 0.00 H new ATOM 0 HA SER A 94 -23.471 -10.164 -31.937 1.00 0.00 H new ATOM 0 HB2 SER A 94 -22.177 -8.117 -31.432 1.00 0.00 H new ATOM 0 HB3 SER A 94 -21.166 -8.995 -30.301 1.00 0.00 H new ATOM 0 HG SER A 94 -20.256 -8.673 -32.474 1.00 0.00 H new ATOM 1361 N HIS A 95 -22.238 -11.986 -29.540 1.00 0.00 N ATOM 1362 CA HIS A 95 -21.632 -13.273 -29.151 1.00 0.00 C ATOM 1363 C HIS A 95 -22.549 -13.988 -28.109 1.00 0.00 C ATOM 1364 O HIS A 95 -22.194 -14.056 -26.919 1.00 0.00 O ATOM 1365 CB HIS A 95 -20.189 -13.075 -28.570 1.00 0.00 C ATOM 1366 CG HIS A 95 -19.312 -12.068 -29.284 1.00 0.00 C ATOM 1367 ND1 HIS A 95 -18.975 -12.131 -30.616 1.00 0.00 N ATOM 1368 CD2 HIS A 95 -18.693 -10.957 -28.799 1.00 0.00 C ATOM 1369 CE1 HIS A 95 -18.183 -11.086 -30.891 1.00 0.00 C ATOM 1370 NE2 HIS A 95 -17.983 -10.347 -29.817 1.00 0.00 N ATOM 0 H HIS A 95 -22.638 -11.468 -28.757 1.00 0.00 H new ATOM 0 HA HIS A 95 -21.542 -13.895 -30.041 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -20.279 -12.772 -27.527 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -19.681 -14.039 -28.580 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -19.275 -12.847 -31.278 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -18.748 -10.607 -27.779 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -17.764 -10.876 -31.864 1.00 0.00 H new ATOM 1378 N PRO A 96 -23.787 -14.468 -28.521 1.00 0.00 N ATOM 1379 CA PRO A 96 -24.659 -15.347 -27.679 1.00 0.00 C ATOM 1380 C PRO A 96 -23.893 -16.491 -26.966 1.00 0.00 C ATOM 1381 O PRO A 96 -24.206 -16.853 -25.830 1.00 0.00 O ATOM 1382 CB PRO A 96 -25.664 -15.916 -28.712 1.00 0.00 C ATOM 1383 CG PRO A 96 -25.825 -14.810 -29.712 1.00 0.00 C ATOM 1384 CD PRO A 96 -24.475 -14.118 -29.799 1.00 0.00 C ATOM 0 HA PRO A 96 -25.116 -14.794 -26.858 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -25.284 -16.824 -29.180 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -26.615 -16.172 -28.244 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -26.124 -15.204 -30.683 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -26.601 -14.112 -29.399 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -23.907 -14.465 -30.662 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -24.589 -13.039 -29.905 1.00 0.00 H new ATOM 1392 N GLU A 97 -22.877 -17.022 -27.664 1.00 0.00 N ATOM 1393 CA GLU A 97 -21.927 -17.991 -27.153 1.00 0.00 C ATOM 1394 C GLU A 97 -20.593 -17.262 -26.992 1.00 0.00 C ATOM 1395 O GLU A 97 -19.875 -17.031 -27.969 1.00 0.00 O ATOM 1396 CB GLU A 97 -21.793 -19.208 -28.120 1.00 0.00 C ATOM 1397 CG GLU A 97 -23.100 -20.000 -28.329 1.00 0.00 C ATOM 1398 CD GLU A 97 -23.639 -20.636 -27.031 1.00 0.00 C ATOM 1399 OE1 GLU A 97 -23.217 -21.766 -26.688 1.00 0.00 O ATOM 1400 OE2 GLU A 97 -24.475 -20.008 -26.338 1.00 0.00 O ATOM 0 H GLU A 97 -22.698 -16.771 -28.636 1.00 0.00 H new ATOM 0 HA GLU A 97 -22.262 -18.394 -26.197 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -21.440 -18.851 -29.087 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -21.031 -19.883 -27.732 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -23.858 -19.335 -28.742 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -22.928 -20.784 -29.066 1.00 0.00 H new ATOM 1407 N VAL A 98 -20.328 -16.835 -25.760 1.00 0.00 N ATOM 1408 CA VAL A 98 -19.031 -16.258 -25.348 1.00 0.00 C ATOM 1409 C VAL A 98 -17.906 -17.317 -25.467 1.00 0.00 C ATOM 1410 O VAL A 98 -16.941 -17.094 -26.237 1.00 0.00 O ATOM 1411 CB VAL A 98 -19.108 -15.659 -23.885 1.00 0.00 C ATOM 1412 CG1 VAL A 98 -17.710 -15.231 -23.325 1.00 0.00 C ATOM 1413 CG2 VAL A 98 -20.095 -14.457 -23.850 1.00 0.00 C ATOM 1414 OXT VAL A 98 -18.029 -18.387 -24.838 1.00 0.00 O ATOM 0 H VAL A 98 -21.010 -16.876 -25.003 1.00 0.00 H new ATOM 0 HA VAL A 98 -18.794 -15.435 -26.022 1.00 0.00 H new ATOM 0 HB VAL A 98 -19.474 -16.455 -23.236 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -17.829 -14.828 -22.319 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -17.050 -16.098 -23.293 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -17.277 -14.468 -23.972 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -20.140 -14.053 -22.839 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.750 -13.683 -24.535 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -21.087 -14.792 -24.151 1.00 0.00 H new TER 1424 VAL A 98 HETATM 1425 ZN ZN A 101 14.387 1.157 4.012 1.00 0.00 ZN HETATM 1426 ZN ZN A 102 1.705 1.638 -12.908 1.00 0.00 ZN HETATM 1427 ZN ZN A 103 -17.006 -8.510 -29.707 1.00 0.00 ZN