USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 544 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 46 HIS HD1 : A 46 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HD1 : A 49 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 12 TYR OH : rot 18:sc= 0.115 USER MOD Set 1.2: A 19 HIS :FLIP no HE2:sc= -3.04! C(o=-3.8!,f=-3.2!) USER MOD Set 1.3: A 20 GLN :FLIP amide:sc= -0.292 X(o=-3.6,f=-3.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.53 X(o=-0.53,f=-0.92) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.833 F(o=-2.5!,f=-0.83) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 18 ASN : amide:sc= -0.422 K(o=-0.42,f=-2.1!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -3.31! X(o=-3.3!,f=-2.9) USER MOD Single : A 24 THR OG1 : rot 50:sc= 0.859 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 56:sc= 1.25 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0478 USER MOD Single : A 37 GLN :FLIP amide:sc= -2.06! C(o=-3.3!,f=-2.1!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -106:sc= -0.768 (180deg=-3.03!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.127) USER MOD Single : A 60 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.012) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -53:sc= 1.14 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.040 4.440 12.452 1.00 0.00 N ATOM 2 CA GLY A 1 -19.426 4.318 11.142 1.00 0.00 C ATOM 3 C GLY A 1 -19.722 2.985 10.484 1.00 0.00 C ATOM 4 O GLY A 1 -20.402 2.929 9.460 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.808 5.368 12.859 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.072 4.350 12.361 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.681 3.689 13.075 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.783 5.123 10.500 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.347 4.441 11.237 1.00 0.00 H new ATOM 8 N SER A 2 -19.208 1.910 11.072 1.00 0.00 N ATOM 9 CA SER A 2 -19.417 0.571 10.533 1.00 0.00 C ATOM 10 C SER A 2 -20.519 -0.157 11.297 1.00 0.00 C ATOM 11 O SER A 2 -21.058 0.362 12.275 1.00 0.00 O ATOM 12 CB SER A 2 -18.118 -0.235 10.596 1.00 0.00 C ATOM 13 OG SER A 2 -17.304 0.019 9.465 1.00 0.00 O ATOM 0 H SER A 2 -18.644 1.940 11.921 1.00 0.00 H new ATOM 0 HA SER A 2 -19.725 0.669 9.492 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.573 0.019 11.505 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.349 -1.299 10.650 1.00 0.00 H new ATOM 0 HG SER A 2 -16.480 -0.507 9.531 1.00 0.00 H new ATOM 19 N SER A 3 -20.848 -1.362 10.844 1.00 0.00 N ATOM 20 CA SER A 3 -21.888 -2.161 11.481 1.00 0.00 C ATOM 21 C SER A 3 -21.277 -3.204 12.413 1.00 0.00 C ATOM 22 O SER A 3 -21.594 -3.253 13.601 1.00 0.00 O ATOM 23 CB SER A 3 -22.752 -2.850 10.423 1.00 0.00 C ATOM 24 OG SER A 3 -23.902 -3.436 11.007 1.00 0.00 O ATOM 0 H SER A 3 -20.409 -1.807 10.038 1.00 0.00 H new ATOM 0 HA SER A 3 -22.514 -1.493 12.072 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.053 -2.125 9.667 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.168 -3.617 9.915 1.00 0.00 H new ATOM 0 HG SER A 3 -24.439 -3.868 10.310 1.00 0.00 H new ATOM 30 N GLY A 4 -20.399 -4.037 11.864 1.00 0.00 N ATOM 31 CA GLY A 4 -19.757 -5.068 12.658 1.00 0.00 C ATOM 32 C GLY A 4 -19.666 -6.392 11.926 1.00 0.00 C ATOM 33 O GLY A 4 -20.579 -7.215 12.002 1.00 0.00 O ATOM 0 H GLY A 4 -20.121 -4.016 10.883 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.755 -4.739 12.933 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.313 -5.207 13.585 1.00 0.00 H new ATOM 37 N SER A 5 -18.563 -6.598 11.214 1.00 0.00 N ATOM 38 CA SER A 5 -18.359 -7.830 10.460 1.00 0.00 C ATOM 39 C SER A 5 -16.872 -8.096 10.247 1.00 0.00 C ATOM 40 O SER A 5 -16.097 -7.177 9.981 1.00 0.00 O ATOM 41 CB SER A 5 -19.073 -7.750 9.109 1.00 0.00 C ATOM 42 OG SER A 5 -18.448 -6.806 8.257 1.00 0.00 O ATOM 0 H SER A 5 -17.797 -5.928 11.143 1.00 0.00 H new ATOM 0 HA SER A 5 -18.779 -8.654 11.037 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.070 -8.731 8.634 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.116 -7.473 9.261 1.00 0.00 H new ATOM 0 HG SER A 5 -18.922 -6.775 7.400 1.00 0.00 H new ATOM 48 N SER A 6 -16.481 -9.361 10.366 1.00 0.00 N ATOM 49 CA SER A 6 -15.086 -9.750 10.191 1.00 0.00 C ATOM 50 C SER A 6 -14.788 -10.057 8.727 1.00 0.00 C ATOM 51 O SER A 6 -15.696 -10.149 7.903 1.00 0.00 O ATOM 52 CB SER A 6 -14.762 -10.969 11.057 1.00 0.00 C ATOM 53 OG SER A 6 -15.576 -12.075 10.704 1.00 0.00 O ATOM 0 H SER A 6 -17.110 -10.134 10.583 1.00 0.00 H new ATOM 0 HA SER A 6 -14.459 -8.915 10.504 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.711 -11.234 10.939 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.913 -10.723 12.108 1.00 0.00 H new ATOM 0 HG SER A 6 -15.349 -12.842 11.270 1.00 0.00 H new ATOM 59 N GLY A 7 -13.506 -10.215 8.411 1.00 0.00 N ATOM 60 CA GLY A 7 -13.109 -10.511 7.047 1.00 0.00 C ATOM 61 C GLY A 7 -11.749 -9.937 6.702 1.00 0.00 C ATOM 62 O GLY A 7 -10.752 -10.657 6.682 1.00 0.00 O ATOM 0 H GLY A 7 -12.735 -10.143 9.075 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.091 -11.591 6.903 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.854 -10.110 6.360 1.00 0.00 H new ATOM 66 N GLN A 8 -11.710 -8.637 6.428 1.00 0.00 N ATOM 67 CA GLN A 8 -10.462 -7.968 6.080 1.00 0.00 C ATOM 68 C GLN A 8 -10.216 -6.767 6.988 1.00 0.00 C ATOM 69 O GLN A 8 -11.155 -6.181 7.528 1.00 0.00 O ATOM 70 CB GLN A 8 -10.490 -7.519 4.618 1.00 0.00 C ATOM 71 CG GLN A 8 -10.268 -8.651 3.629 1.00 0.00 C ATOM 72 CD GLN A 8 -9.117 -9.555 4.026 1.00 0.00 C ATOM 73 OE1 GLN A 8 -8.070 -9.086 4.473 1.00 0.00 O ATOM 74 NE2 GLN A 8 -9.306 -10.860 3.865 1.00 0.00 N ATOM 0 H GLN A 8 -12.527 -8.027 6.440 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.647 -8.679 6.219 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.451 -7.049 4.409 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.724 -6.759 4.465 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.180 -9.243 3.550 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.073 -8.233 2.642 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.190 -11.205 3.491 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.567 -11.517 4.115 1.00 0.00 H new ATOM 83 N LEU A 9 -8.948 -6.406 7.152 1.00 0.00 N ATOM 84 CA LEU A 9 -8.577 -5.275 7.995 1.00 0.00 C ATOM 85 C LEU A 9 -9.391 -4.037 7.634 1.00 0.00 C ATOM 86 O LEU A 9 -9.883 -3.892 6.514 1.00 0.00 O ATOM 87 CB LEU A 9 -7.084 -4.977 7.855 1.00 0.00 C ATOM 88 CG LEU A 9 -6.134 -5.978 8.514 1.00 0.00 C ATOM 89 CD1 LEU A 9 -4.756 -5.906 7.876 1.00 0.00 C ATOM 90 CD2 LEU A 9 -6.045 -5.723 10.012 1.00 0.00 C ATOM 0 H LEU A 9 -8.159 -6.880 6.712 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.792 -5.539 9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.843 -4.923 6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.890 -3.991 8.277 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.531 -6.981 8.360 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.094 -6.625 8.358 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.834 -6.139 6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.351 -4.902 7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.365 -6.445 10.464 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.673 -4.714 10.188 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.034 -5.828 10.458 1.00 0.00 H new ATOM 102 N PRO A 10 -9.536 -3.120 8.602 1.00 0.00 N ATOM 103 CA PRO A 10 -10.287 -1.876 8.408 1.00 0.00 C ATOM 104 C PRO A 10 -9.576 -0.911 7.465 1.00 0.00 C ATOM 105 O PRO A 10 -8.435 -0.519 7.707 1.00 0.00 O ATOM 106 CB PRO A 10 -10.365 -1.286 9.818 1.00 0.00 C ATOM 107 CG PRO A 10 -9.186 -1.852 10.532 1.00 0.00 C ATOM 108 CD PRO A 10 -8.977 -3.227 9.960 1.00 0.00 C ATOM 0 HA PRO A 10 -11.260 -2.054 7.951 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.328 -0.197 9.794 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.297 -1.562 10.312 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.304 -1.229 10.384 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.366 -1.899 11.606 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.921 -3.498 9.940 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.490 -3.989 10.547 1.00 0.00 H new ATOM 116 N SER A 11 -10.259 -0.531 6.390 1.00 0.00 N ATOM 117 CA SER A 11 -9.692 0.386 5.409 1.00 0.00 C ATOM 118 C SER A 11 -10.201 1.807 5.634 1.00 0.00 C ATOM 119 O SER A 11 -11.407 2.037 5.738 1.00 0.00 O ATOM 120 CB SER A 11 -10.038 -0.072 3.991 1.00 0.00 C ATOM 121 OG SER A 11 -9.746 -1.448 3.814 1.00 0.00 O ATOM 0 H SER A 11 -11.206 -0.844 6.176 1.00 0.00 H new ATOM 0 HA SER A 11 -8.609 0.383 5.531 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.095 0.107 3.796 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.476 0.518 3.267 1.00 0.00 H new ATOM 0 HG SER A 11 -9.978 -1.717 2.900 1.00 0.00 H new ATOM 127 N TYR A 12 -9.275 2.755 5.710 1.00 0.00 N ATOM 128 CA TYR A 12 -9.628 4.153 5.926 1.00 0.00 C ATOM 129 C TYR A 12 -8.493 5.076 5.494 1.00 0.00 C ATOM 130 O TYR A 12 -7.319 4.716 5.581 1.00 0.00 O ATOM 131 CB TYR A 12 -9.964 4.395 7.399 1.00 0.00 C ATOM 132 CG TYR A 12 -8.750 4.657 8.261 1.00 0.00 C ATOM 133 CD1 TYR A 12 -7.991 5.809 8.095 1.00 0.00 C ATOM 134 CD2 TYR A 12 -8.360 3.752 9.241 1.00 0.00 C ATOM 135 CE1 TYR A 12 -6.880 6.053 8.880 1.00 0.00 C ATOM 136 CE2 TYR A 12 -7.252 3.988 10.032 1.00 0.00 C ATOM 137 CZ TYR A 12 -6.516 5.140 9.847 1.00 0.00 C ATOM 138 OH TYR A 12 -5.410 5.378 10.631 1.00 0.00 O ATOM 0 H TYR A 12 -8.273 2.581 5.625 1.00 0.00 H new ATOM 0 HA TYR A 12 -10.505 4.377 5.318 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.642 5.245 7.473 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.496 3.527 7.789 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.274 6.526 7.339 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.933 2.848 9.387 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.301 6.953 8.737 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.964 3.275 10.790 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.173 6.328 10.583 1.00 0.00 H new ATOM 148 N ARG A 13 -8.852 6.267 5.027 1.00 0.00 N ATOM 149 CA ARG A 13 -7.864 7.242 4.580 1.00 0.00 C ATOM 150 C ARG A 13 -7.400 8.117 5.741 1.00 0.00 C ATOM 151 O ARG A 13 -8.210 8.590 6.538 1.00 0.00 O ATOM 152 CB ARG A 13 -8.447 8.117 3.469 1.00 0.00 C ATOM 153 CG ARG A 13 -8.729 7.360 2.182 1.00 0.00 C ATOM 154 CD ARG A 13 -8.771 8.294 0.983 1.00 0.00 C ATOM 155 NE ARG A 13 -8.840 7.563 -0.279 1.00 0.00 N ATOM 156 CZ ARG A 13 -9.968 7.079 -0.787 1.00 0.00 C ATOM 157 NH1 ARG A 13 -11.115 7.248 -0.144 1.00 0.00 N ATOM 158 NH2 ARG A 13 -9.949 6.424 -1.941 1.00 0.00 N ATOM 0 H ARG A 13 -9.819 6.580 4.948 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.003 6.698 4.191 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.372 8.571 3.824 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.753 8.931 3.257 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.960 6.603 2.028 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.680 6.835 2.269 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.635 8.953 1.067 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.884 8.928 0.986 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.975 7.416 -0.799 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.133 7.751 0.743 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.979 6.875 -0.537 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.068 6.292 -2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.815 6.052 -2.331 1.00 0.00 H new ATOM 172 N PHE A 14 -6.091 8.327 5.830 1.00 0.00 N ATOM 173 CA PHE A 14 -5.518 9.144 6.894 1.00 0.00 C ATOM 174 C PHE A 14 -6.221 10.495 6.980 1.00 0.00 C ATOM 175 O PHE A 14 -6.639 11.055 5.968 1.00 0.00 O ATOM 176 CB PHE A 14 -4.020 9.349 6.658 1.00 0.00 C ATOM 177 CG PHE A 14 -3.427 10.447 7.494 1.00 0.00 C ATOM 178 CD1 PHE A 14 -3.727 11.774 7.234 1.00 0.00 C ATOM 179 CD2 PHE A 14 -2.568 10.151 8.541 1.00 0.00 C ATOM 180 CE1 PHE A 14 -3.183 12.786 8.002 1.00 0.00 C ATOM 181 CE2 PHE A 14 -2.021 11.159 9.312 1.00 0.00 C ATOM 182 CZ PHE A 14 -2.328 12.478 9.042 1.00 0.00 C ATOM 0 H PHE A 14 -5.407 7.943 5.178 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.661 8.619 7.839 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.496 8.417 6.871 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.854 9.575 5.605 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.394 12.021 6.421 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.324 9.121 8.757 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.426 13.817 7.789 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.354 10.915 10.125 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.900 13.267 9.643 1.00 0.00 H new ATOM 192 N ASN A 15 -6.348 11.013 8.198 1.00 0.00 N ATOM 193 CA ASN A 15 -7.001 12.298 8.418 1.00 0.00 C ATOM 194 C ASN A 15 -6.078 13.256 9.165 1.00 0.00 C ATOM 195 O ASN A 15 -5.703 13.026 10.315 1.00 0.00 O ATOM 196 CB ASN A 15 -8.300 12.106 9.203 1.00 0.00 C ATOM 197 CG ASN A 15 -9.410 13.016 8.716 1.00 0.00 C ATOM 198 OD1 ASN A 15 -9.612 14.129 9.411 1.00 0.00 O flip ATOM 199 ND2 ASN A 15 -10.080 12.721 7.725 1.00 0.00 N flip ATOM 0 H ASN A 15 -6.007 10.562 9.047 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.234 12.731 7.445 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.622 11.068 9.119 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -8.114 12.298 10.260 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -9.890 11.855 7.220 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -10.824 13.343 7.409 1.00 0.00 H new ATOM 206 N PRO A 16 -5.704 14.358 8.498 1.00 0.00 N ATOM 207 CA PRO A 16 -4.822 15.374 9.080 1.00 0.00 C ATOM 208 C PRO A 16 -5.501 16.162 10.195 1.00 0.00 C ATOM 209 O PRO A 16 -4.838 16.823 10.993 1.00 0.00 O ATOM 210 CB PRO A 16 -4.505 16.290 7.894 1.00 0.00 C ATOM 211 CG PRO A 16 -5.659 16.122 6.968 1.00 0.00 C ATOM 212 CD PRO A 16 -6.113 14.697 7.124 1.00 0.00 C ATOM 0 HA PRO A 16 -3.940 14.931 9.542 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.400 17.327 8.212 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.568 16.007 7.414 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.462 16.816 7.216 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.366 16.327 5.938 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.191 14.601 6.990 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.641 14.042 6.391 1.00 0.00 H new ATOM 220 N ASN A 17 -6.827 16.086 10.243 1.00 0.00 N ATOM 221 CA ASN A 17 -7.596 16.792 11.262 1.00 0.00 C ATOM 222 C ASN A 17 -7.597 16.019 12.577 1.00 0.00 C ATOM 223 O ASN A 17 -7.391 16.592 13.646 1.00 0.00 O ATOM 224 CB ASN A 17 -9.033 17.011 10.784 1.00 0.00 C ATOM 225 CG ASN A 17 -9.101 17.845 9.520 1.00 0.00 C ATOM 226 OD1 ASN A 17 -8.938 17.330 8.413 1.00 0.00 O ATOM 227 ND2 ASN A 17 -9.344 19.141 9.678 1.00 0.00 N ATOM 0 H ASN A 17 -7.391 15.543 9.589 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.125 17.760 11.432 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.504 16.045 10.604 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.604 17.503 11.572 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.402 19.752 8.863 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.473 19.525 10.614 1.00 0.00 H new ATOM 234 N ASN A 18 -7.830 14.713 12.489 1.00 0.00 N ATOM 235 CA ASN A 18 -7.858 13.860 13.671 1.00 0.00 C ATOM 236 C ASN A 18 -7.504 12.421 13.312 1.00 0.00 C ATOM 237 O ASN A 18 -8.127 11.816 12.439 1.00 0.00 O ATOM 238 CB ASN A 18 -9.239 13.909 14.328 1.00 0.00 C ATOM 239 CG ASN A 18 -9.393 15.093 15.264 1.00 0.00 C ATOM 240 OD1 ASN A 18 -8.430 15.527 15.897 1.00 0.00 O ATOM 241 ND2 ASN A 18 -10.608 15.621 15.355 1.00 0.00 N ATOM 0 H ASN A 18 -8.002 14.223 11.611 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.114 14.233 14.375 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.005 13.959 13.554 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -9.407 12.986 14.883 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -10.773 16.419 15.968 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.377 15.228 14.812 1.00 0.00 H new ATOM 248 N HIS A 19 -6.500 11.877 13.992 1.00 0.00 N ATOM 249 CA HIS A 19 -6.063 10.507 13.746 1.00 0.00 C ATOM 250 C HIS A 19 -6.257 9.643 14.989 1.00 0.00 C ATOM 251 O HIS A 19 -6.669 10.135 16.039 1.00 0.00 O ATOM 252 CB HIS A 19 -4.595 10.486 13.320 1.00 0.00 C ATOM 253 CG HIS A 19 -4.254 9.354 12.400 1.00 0.00 C ATOM 254 ND1 HIS A 19 -3.356 8.349 12.528 1.00 0.00 N flip ATOM 255 CD2 HIS A 19 -4.867 9.166 11.180 1.00 0.00 C flip ATOM 256 CE1 HIS A 19 -3.443 7.580 11.394 1.00 0.00 C flip ATOM 257 NE2 HIS A 19 -4.363 8.093 10.597 1.00 0.00 N flip ATOM 0 H HIS A 19 -5.974 12.364 14.718 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.673 10.097 12.941 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -4.355 11.428 12.828 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.968 10.422 14.209 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -2.731 8.192 13.319 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -5.639 9.797 10.765 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.855 6.698 11.187 1.00 0.00 H new ATOM 266 N GLN A 20 -5.958 8.355 14.861 1.00 0.00 N ATOM 267 CA GLN A 20 -6.101 7.423 15.974 1.00 0.00 C ATOM 268 C GLN A 20 -4.791 7.289 16.743 1.00 0.00 C ATOM 269 O GLN A 20 -4.756 7.454 17.963 1.00 0.00 O ATOM 270 CB GLN A 20 -6.550 6.053 15.465 1.00 0.00 C ATOM 271 CG GLN A 20 -5.553 5.397 14.523 1.00 0.00 C ATOM 272 CD GLN A 20 -6.178 4.304 13.679 1.00 0.00 C ATOM 273 OE1 GLN A 20 -7.280 4.629 13.012 1.00 0.00 O flip ATOM 274 NE2 GLN A 20 -5.678 3.180 13.627 1.00 0.00 N flip ATOM 0 H GLN A 20 -5.615 7.932 13.998 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.859 7.817 16.650 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.719 5.395 16.318 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.506 6.161 14.952 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.124 6.156 13.868 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.732 4.977 15.104 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.831 2.974 14.156 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.111 2.455 13.055 1.00 0.00 H new ATOM 283 N SER A 21 -3.715 6.989 16.023 1.00 0.00 N ATOM 284 CA SER A 21 -2.403 6.828 16.638 1.00 0.00 C ATOM 285 C SER A 21 -1.632 8.144 16.626 1.00 0.00 C ATOM 286 O SER A 21 -2.068 9.125 16.023 1.00 0.00 O ATOM 287 CB SER A 21 -1.602 5.748 15.908 1.00 0.00 C ATOM 288 OG SER A 21 -2.107 4.456 16.197 1.00 0.00 O ATOM 0 H SER A 21 -3.726 6.852 15.012 1.00 0.00 H new ATOM 0 HA SER A 21 -2.550 6.523 17.674 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.642 5.925 14.833 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.554 5.807 16.202 1.00 0.00 H new ATOM 0 HG SER A 21 -1.579 3.784 15.717 1.00 0.00 H new ATOM 294 N GLU A 22 -0.485 8.157 17.297 1.00 0.00 N ATOM 295 CA GLU A 22 0.347 9.354 17.364 1.00 0.00 C ATOM 296 C GLU A 22 1.413 9.337 16.272 1.00 0.00 C ATOM 297 O GLU A 22 1.668 10.353 15.626 1.00 0.00 O ATOM 298 CB GLU A 22 1.010 9.464 18.738 1.00 0.00 C ATOM 299 CG GLU A 22 1.884 8.271 19.090 1.00 0.00 C ATOM 300 CD GLU A 22 2.664 8.478 20.373 1.00 0.00 C ATOM 301 OE1 GLU A 22 3.588 9.318 20.376 1.00 0.00 O ATOM 302 OE2 GLU A 22 2.351 7.800 21.374 1.00 0.00 O ATOM 0 H GLU A 22 -0.110 7.354 17.802 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.295 10.221 17.208 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.616 10.369 18.768 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.236 9.573 19.498 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.259 7.384 19.189 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.580 8.081 18.273 1.00 0.00 H new ATOM 309 N GLN A 23 2.031 8.177 16.074 1.00 0.00 N ATOM 310 CA GLN A 23 3.070 8.029 15.061 1.00 0.00 C ATOM 311 C GLN A 23 2.575 7.181 13.894 1.00 0.00 C ATOM 312 O GLN A 23 2.176 6.030 14.074 1.00 0.00 O ATOM 313 CB GLN A 23 4.321 7.396 15.673 1.00 0.00 C ATOM 314 CG GLN A 23 4.223 5.888 15.834 1.00 0.00 C ATOM 315 CD GLN A 23 4.706 5.138 14.608 1.00 0.00 C ATOM 316 OE1 GLN A 23 5.824 5.350 14.137 1.00 0.00 O ATOM 317 NE2 GLN A 23 3.864 4.256 14.083 1.00 0.00 N ATOM 0 H GLN A 23 1.831 7.327 16.601 1.00 0.00 H new ATOM 0 HA GLN A 23 3.320 9.021 14.685 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.181 7.631 15.046 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.506 7.846 16.648 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.811 5.580 16.699 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.188 5.615 16.038 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.947 4.112 14.506 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.134 3.722 13.257 1.00 0.00 H new ATOM 326 N THR A 24 2.604 7.757 12.696 1.00 0.00 N ATOM 327 CA THR A 24 2.158 7.055 11.500 1.00 0.00 C ATOM 328 C THR A 24 3.240 7.058 10.425 1.00 0.00 C ATOM 329 O THR A 24 3.442 8.058 9.735 1.00 0.00 O ATOM 330 CB THR A 24 0.876 7.686 10.923 1.00 0.00 C ATOM 331 OG1 THR A 24 1.115 9.057 10.585 1.00 0.00 O ATOM 332 CG2 THR A 24 -0.267 7.597 11.922 1.00 0.00 C ATOM 0 H THR A 24 2.932 8.708 12.529 1.00 0.00 H new ATOM 0 HA THR A 24 1.947 6.028 11.797 1.00 0.00 H new ATOM 0 HB THR A 24 0.597 7.134 10.026 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.928 9.123 10.042 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.161 8.049 11.493 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.465 6.551 12.156 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.005 8.127 12.834 1.00 0.00 H new ATOM 340 N LEU A 25 3.932 5.933 10.287 1.00 0.00 N ATOM 341 CA LEU A 25 4.994 5.805 9.295 1.00 0.00 C ATOM 342 C LEU A 25 4.992 4.412 8.673 1.00 0.00 C ATOM 343 O LEU A 25 4.730 3.418 9.350 1.00 0.00 O ATOM 344 CB LEU A 25 6.354 6.088 9.935 1.00 0.00 C ATOM 345 CG LEU A 25 7.565 5.998 9.006 1.00 0.00 C ATOM 346 CD1 LEU A 25 8.740 6.771 9.584 1.00 0.00 C ATOM 347 CD2 LEU A 25 7.947 4.545 8.765 1.00 0.00 C ATOM 0 H LEU A 25 3.777 5.096 10.849 1.00 0.00 H new ATOM 0 HA LEU A 25 4.812 6.536 8.507 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.328 7.087 10.369 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.499 5.387 10.757 1.00 0.00 H new ATOM 0 HG LEU A 25 7.298 6.446 8.049 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.593 6.695 8.909 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.463 7.819 9.703 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.008 6.354 10.555 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.811 4.501 8.102 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.195 4.072 9.715 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.110 4.020 8.305 1.00 0.00 H new ATOM 359 N CYS A 26 5.288 4.348 7.379 1.00 0.00 N ATOM 360 CA CYS A 26 5.323 3.077 6.664 1.00 0.00 C ATOM 361 C CYS A 26 6.720 2.465 6.711 1.00 0.00 C ATOM 362 O CYS A 26 7.635 2.926 6.027 1.00 0.00 O ATOM 363 CB CYS A 26 4.889 3.274 5.210 1.00 0.00 C ATOM 364 SG CYS A 26 4.766 1.728 4.255 1.00 0.00 S ATOM 0 H CYS A 26 5.507 5.161 6.804 1.00 0.00 H new ATOM 0 HA CYS A 26 4.629 2.394 7.154 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.921 3.775 5.196 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.599 3.938 4.717 1.00 0.00 H new ATOM 369 N VAL A 27 6.877 1.424 7.522 1.00 0.00 N ATOM 370 CA VAL A 27 8.161 0.747 7.657 1.00 0.00 C ATOM 371 C VAL A 27 8.585 0.105 6.341 1.00 0.00 C ATOM 372 O VAL A 27 9.768 -0.151 6.115 1.00 0.00 O ATOM 373 CB VAL A 27 8.113 -0.335 8.752 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.645 -1.661 8.172 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.474 -0.485 9.414 1.00 0.00 C ATOM 0 H VAL A 27 6.131 1.031 8.096 1.00 0.00 H new ATOM 0 HA VAL A 27 8.891 1.506 7.939 1.00 0.00 H new ATOM 0 HB VAL A 27 7.397 -0.025 9.513 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.617 -2.413 8.960 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.647 -1.541 7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.334 -1.980 7.390 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.421 -1.254 10.185 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.213 -0.772 8.666 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.765 0.463 9.866 1.00 0.00 H new ATOM 385 N VAL A 28 7.611 -0.154 5.474 1.00 0.00 N ATOM 386 CA VAL A 28 7.883 -0.766 4.179 1.00 0.00 C ATOM 387 C VAL A 28 8.717 0.159 3.299 1.00 0.00 C ATOM 388 O VAL A 28 9.856 -0.156 2.953 1.00 0.00 O ATOM 389 CB VAL A 28 6.579 -1.121 3.441 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.877 -1.924 2.184 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.638 -1.884 4.361 1.00 0.00 C ATOM 0 H VAL A 28 6.627 0.051 5.645 1.00 0.00 H new ATOM 0 HA VAL A 28 8.443 -1.681 4.372 1.00 0.00 H new ATOM 0 HB VAL A 28 6.087 -0.195 3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.943 -2.165 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.510 -1.337 1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.391 -2.846 2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.721 -2.127 3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.119 -2.804 4.692 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.398 -1.268 5.228 1.00 0.00 H new ATOM 401 N CYS A 29 8.142 1.302 2.940 1.00 0.00 N ATOM 402 CA CYS A 29 8.831 2.274 2.100 1.00 0.00 C ATOM 403 C CYS A 29 9.387 3.421 2.939 1.00 0.00 C ATOM 404 O CYS A 29 9.778 4.460 2.408 1.00 0.00 O ATOM 405 CB CYS A 29 7.881 2.822 1.033 1.00 0.00 C ATOM 406 SG CYS A 29 6.447 3.721 1.706 1.00 0.00 S ATOM 0 H CYS A 29 7.200 1.578 3.218 1.00 0.00 H new ATOM 0 HA CYS A 29 9.663 1.768 1.611 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.437 3.488 0.374 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.523 1.994 0.421 1.00 0.00 H new ATOM 411 N MET A 30 9.418 3.225 4.253 1.00 0.00 N ATOM 412 CA MET A 30 9.927 4.242 5.166 1.00 0.00 C ATOM 413 C MET A 30 9.501 5.636 4.718 1.00 0.00 C ATOM 414 O MET A 30 10.336 6.524 4.542 1.00 0.00 O ATOM 415 CB MET A 30 11.453 4.165 5.250 1.00 0.00 C ATOM 416 CG MET A 30 11.960 2.914 5.950 1.00 0.00 C ATOM 417 SD MET A 30 11.241 2.695 7.589 1.00 0.00 S ATOM 418 CE MET A 30 12.714 2.698 8.608 1.00 0.00 C ATOM 0 H MET A 30 9.097 2.371 4.709 1.00 0.00 H new ATOM 0 HA MET A 30 9.506 4.052 6.153 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.867 4.201 4.242 1.00 0.00 H new ATOM 0 HB3 MET A 30 11.825 5.043 5.778 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.731 2.042 5.338 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.045 2.966 6.038 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.433 2.571 9.654 1.00 0.00 H new ATOM 0 HE2 MET A 30 13.367 1.879 8.306 1.00 0.00 H new ATOM 0 HE3 MET A 30 13.239 3.645 8.486 1.00 0.00 H new ATOM 428 N CYS A 31 8.198 5.822 4.535 1.00 0.00 N ATOM 429 CA CYS A 31 7.662 7.108 4.106 1.00 0.00 C ATOM 430 C CYS A 31 6.424 7.478 4.916 1.00 0.00 C ATOM 431 O CYS A 31 5.690 6.606 5.381 1.00 0.00 O ATOM 432 CB CYS A 31 7.319 7.071 2.616 1.00 0.00 C ATOM 433 SG CYS A 31 8.761 6.994 1.528 1.00 0.00 S ATOM 0 H CYS A 31 7.494 5.098 4.677 1.00 0.00 H new ATOM 0 HA CYS A 31 8.426 7.867 4.276 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.684 6.207 2.422 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.736 7.957 2.366 1.00 0.00 H new ATOM 0 HG CYS A 31 9.493 5.968 1.849 1.00 0.00 H new ATOM 439 N ASP A 32 6.198 8.777 5.082 1.00 0.00 N ATOM 440 CA ASP A 32 5.049 9.263 5.836 1.00 0.00 C ATOM 441 C ASP A 32 3.791 9.259 4.973 1.00 0.00 C ATOM 442 O ASP A 32 3.717 9.957 3.962 1.00 0.00 O ATOM 443 CB ASP A 32 5.317 10.674 6.362 1.00 0.00 C ATOM 444 CG ASP A 32 4.595 10.953 7.666 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.406 11.333 7.617 1.00 0.00 O ATOM 446 OD2 ASP A 32 5.218 10.790 8.735 1.00 0.00 O ATOM 0 H ASP A 32 6.796 9.512 4.704 1.00 0.00 H new ATOM 0 HA ASP A 32 4.890 8.593 6.681 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.389 10.807 6.508 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.005 11.403 5.614 1.00 0.00 H new ATOM 451 N PHE A 33 2.804 8.467 5.379 1.00 0.00 N ATOM 452 CA PHE A 33 1.549 8.370 4.642 1.00 0.00 C ATOM 453 C PHE A 33 1.022 9.756 4.281 1.00 0.00 C ATOM 454 O PHE A 33 1.301 10.736 4.971 1.00 0.00 O ATOM 455 CB PHE A 33 0.506 7.614 5.467 1.00 0.00 C ATOM 456 CG PHE A 33 1.049 6.387 6.142 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.256 5.220 5.425 1.00 0.00 C ATOM 458 CD2 PHE A 33 1.353 6.401 7.494 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.756 4.089 6.043 1.00 0.00 C ATOM 460 CE2 PHE A 33 1.854 5.274 8.117 1.00 0.00 C ATOM 461 CZ PHE A 33 2.055 4.116 7.391 1.00 0.00 C ATOM 0 H PHE A 33 2.849 7.883 6.214 1.00 0.00 H new ATOM 0 HA PHE A 33 1.739 7.821 3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.098 8.284 6.223 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.320 7.326 4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.024 5.193 4.371 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.197 7.303 8.067 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.913 3.186 5.472 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.088 5.298 9.171 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.445 3.234 7.877 1.00 0.00 H new ATOM 471 N GLU A 34 0.259 9.828 3.195 1.00 0.00 N ATOM 472 CA GLU A 34 -0.307 11.093 2.742 1.00 0.00 C ATOM 473 C GLU A 34 -1.482 11.510 3.622 1.00 0.00 C ATOM 474 O GLU A 34 -1.784 10.860 4.622 1.00 0.00 O ATOM 475 CB GLU A 34 -0.760 10.982 1.285 1.00 0.00 C ATOM 476 CG GLU A 34 0.330 11.318 0.281 1.00 0.00 C ATOM 477 CD GLU A 34 0.768 12.767 0.359 1.00 0.00 C ATOM 478 OE1 GLU A 34 -0.029 13.649 -0.027 1.00 0.00 O ATOM 479 OE2 GLU A 34 1.906 13.020 0.805 1.00 0.00 O ATOM 0 H GLU A 34 0.019 9.026 2.613 1.00 0.00 H new ATOM 0 HA GLU A 34 0.468 11.856 2.816 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.113 9.968 1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.607 11.649 1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.191 10.672 0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.030 11.105 -0.725 1.00 0.00 H new ATOM 486 N SER A 35 -2.140 12.600 3.241 1.00 0.00 N ATOM 487 CA SER A 35 -3.280 13.108 3.997 1.00 0.00 C ATOM 488 C SER A 35 -4.592 12.603 3.406 1.00 0.00 C ATOM 489 O SER A 35 -5.619 12.570 4.084 1.00 0.00 O ATOM 490 CB SER A 35 -3.269 14.638 4.010 1.00 0.00 C ATOM 491 OG SER A 35 -2.669 15.154 2.834 1.00 0.00 O ATOM 0 H SER A 35 -1.904 13.148 2.414 1.00 0.00 H new ATOM 0 HA SER A 35 -3.198 12.742 5.021 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.290 15.011 4.095 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.725 14.993 4.885 1.00 0.00 H new ATOM 0 HG SER A 35 -2.676 16.133 2.866 1.00 0.00 H new ATOM 497 N ARG A 36 -4.550 12.209 2.137 1.00 0.00 N ATOM 498 CA ARG A 36 -5.735 11.707 1.453 1.00 0.00 C ATOM 499 C ARG A 36 -5.416 10.432 0.677 1.00 0.00 C ATOM 500 O ARG A 36 -5.424 10.425 -0.553 1.00 0.00 O ATOM 501 CB ARG A 36 -6.291 12.769 0.502 1.00 0.00 C ATOM 502 CG ARG A 36 -7.121 13.835 1.199 1.00 0.00 C ATOM 503 CD ARG A 36 -6.248 14.952 1.747 1.00 0.00 C ATOM 504 NE ARG A 36 -5.510 15.638 0.689 1.00 0.00 N ATOM 505 CZ ARG A 36 -6.009 16.643 -0.022 1.00 0.00 C ATOM 506 NH1 ARG A 36 -7.241 17.076 0.209 1.00 0.00 N ATOM 507 NH2 ARG A 36 -5.276 17.216 -0.968 1.00 0.00 N ATOM 0 H ARG A 36 -3.708 12.228 1.562 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.487 11.475 2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.462 13.248 -0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.904 12.281 -0.256 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.846 14.249 0.498 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.687 13.382 2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.871 15.671 2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.545 14.541 2.471 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.560 15.328 0.485 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.808 16.637 0.934 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.621 17.848 -0.339 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.329 16.885 -1.150 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.660 17.988 -1.513 1.00 0.00 H new ATOM 521 N GLN A 37 -5.135 9.357 1.406 1.00 0.00 N ATOM 522 CA GLN A 37 -4.811 8.077 0.786 1.00 0.00 C ATOM 523 C GLN A 37 -5.226 6.917 1.684 1.00 0.00 C ATOM 524 O GLN A 37 -5.096 6.986 2.907 1.00 0.00 O ATOM 525 CB GLN A 37 -3.313 7.996 0.487 1.00 0.00 C ATOM 526 CG GLN A 37 -2.825 9.071 -0.470 1.00 0.00 C ATOM 527 CD GLN A 37 -1.434 8.788 -1.005 1.00 0.00 C ATOM 528 OE1 GLN A 37 -0.590 8.190 -0.173 1.00 0.00 O flip ATOM 529 NE2 GLN A 37 -1.122 9.104 -2.153 1.00 0.00 N flip ATOM 0 H GLN A 37 -5.125 9.346 2.426 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.365 8.004 -0.150 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.759 8.076 1.423 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.087 7.016 0.066 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.522 9.153 -1.304 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.825 10.034 0.041 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.803 9.562 -2.759 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.183 8.908 -2.499 1.00 0.00 H new ATOM 538 N LEU A 38 -5.727 5.850 1.070 1.00 0.00 N ATOM 539 CA LEU A 38 -6.163 4.673 1.814 1.00 0.00 C ATOM 540 C LEU A 38 -4.975 3.971 2.465 1.00 0.00 C ATOM 541 O LEU A 38 -4.001 3.627 1.796 1.00 0.00 O ATOM 542 CB LEU A 38 -6.898 3.703 0.888 1.00 0.00 C ATOM 543 CG LEU A 38 -7.848 2.716 1.567 1.00 0.00 C ATOM 544 CD1 LEU A 38 -8.992 3.456 2.243 1.00 0.00 C ATOM 545 CD2 LEU A 38 -8.383 1.710 0.559 1.00 0.00 C ATOM 0 H LEU A 38 -5.841 5.776 0.059 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.844 5.001 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.468 4.285 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.156 3.135 0.327 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.291 2.173 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.658 2.738 2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.592 4.136 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.547 4.026 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.057 1.016 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.923 2.236 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.552 1.157 0.121 1.00 0.00 H new ATOM 557 N LEU A 39 -5.065 3.760 3.774 1.00 0.00 N ATOM 558 CA LEU A 39 -3.999 3.096 4.516 1.00 0.00 C ATOM 559 C LEU A 39 -4.546 1.920 5.319 1.00 0.00 C ATOM 560 O LEU A 39 -5.696 1.937 5.758 1.00 0.00 O ATOM 561 CB LEU A 39 -3.306 4.089 5.451 1.00 0.00 C ATOM 562 CG LEU A 39 -2.995 5.463 4.858 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.396 6.378 5.915 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.054 5.331 3.669 1.00 0.00 C ATOM 0 H LEU A 39 -5.864 4.039 4.343 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.272 2.715 3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.935 4.229 6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.372 3.644 5.794 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.928 5.906 4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.181 7.351 5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.104 6.499 6.735 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.473 5.940 6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.844 6.319 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.122 4.866 3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.521 4.713 2.902 1.00 0.00 H new ATOM 576 N ARG A 40 -3.713 0.902 5.510 1.00 0.00 N ATOM 577 CA ARG A 40 -4.113 -0.282 6.261 1.00 0.00 C ATOM 578 C ARG A 40 -3.354 -0.368 7.583 1.00 0.00 C ATOM 579 O ARG A 40 -2.123 -0.381 7.605 1.00 0.00 O ATOM 580 CB ARG A 40 -3.864 -1.545 5.435 1.00 0.00 C ATOM 581 CG ARG A 40 -4.959 -1.835 4.421 1.00 0.00 C ATOM 582 CD ARG A 40 -5.118 -3.328 4.185 1.00 0.00 C ATOM 583 NE ARG A 40 -4.126 -3.842 3.244 1.00 0.00 N ATOM 584 CZ ARG A 40 -3.975 -5.133 2.968 1.00 0.00 C ATOM 585 NH1 ARG A 40 -4.749 -6.035 3.556 1.00 0.00 N ATOM 586 NH2 ARG A 40 -3.050 -5.523 2.100 1.00 0.00 N ATOM 0 H ARG A 40 -2.757 0.873 5.155 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.178 -0.202 6.477 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.913 -1.445 4.912 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.769 -2.397 6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.903 -1.419 4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.724 -1.340 3.479 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.026 -3.857 5.134 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.119 -3.530 3.803 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.516 -3.174 2.773 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.462 -5.738 4.222 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.631 -7.025 3.342 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.454 -4.832 1.644 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.935 -6.514 1.889 1.00 0.00 H new ATOM 600 N VAL A 41 -4.098 -0.427 8.683 1.00 0.00 N ATOM 601 CA VAL A 41 -3.496 -0.513 10.008 1.00 0.00 C ATOM 602 C VAL A 41 -3.452 -1.955 10.499 1.00 0.00 C ATOM 603 O VAL A 41 -4.489 -2.599 10.666 1.00 0.00 O ATOM 604 CB VAL A 41 -4.267 0.342 11.031 1.00 0.00 C ATOM 605 CG1 VAL A 41 -3.583 0.298 12.389 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.397 1.775 10.537 1.00 0.00 C ATOM 0 H VAL A 41 -5.118 -0.417 8.683 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.479 -0.131 9.919 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.269 -0.073 11.142 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.143 0.908 13.098 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.547 -0.732 12.745 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.568 0.686 12.298 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.944 2.365 11.272 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.404 2.202 10.395 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.936 1.786 9.589 1.00 0.00 H new ATOM 616 N LEU A 42 -2.244 -2.459 10.730 1.00 0.00 N ATOM 617 CA LEU A 42 -2.063 -3.827 11.203 1.00 0.00 C ATOM 618 C LEU A 42 -2.757 -4.035 12.545 1.00 0.00 C ATOM 619 O LEU A 42 -3.029 -3.089 13.285 1.00 0.00 O ATOM 620 CB LEU A 42 -0.573 -4.150 11.331 1.00 0.00 C ATOM 621 CG LEU A 42 0.147 -4.520 10.034 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.497 -5.151 10.334 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.709 -5.459 9.197 1.00 0.00 C ATOM 0 H LEU A 42 -1.376 -1.941 10.597 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.513 -4.500 10.474 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.071 -3.287 11.768 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.460 -4.975 12.034 1.00 0.00 H new ATOM 0 HG LEU A 42 0.315 -3.608 9.462 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.995 -5.408 9.399 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.113 -4.445 10.891 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.353 -6.054 10.928 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.180 -5.711 8.278 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.909 -6.369 9.762 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.651 -4.970 8.951 1.00 0.00 H new ATOM 635 N PRO A 43 -3.051 -5.303 12.869 1.00 0.00 N ATOM 636 CA PRO A 43 -3.715 -5.666 14.125 1.00 0.00 C ATOM 637 C PRO A 43 -2.813 -5.461 15.337 1.00 0.00 C ATOM 638 O PRO A 43 -3.174 -5.817 16.460 1.00 0.00 O ATOM 639 CB PRO A 43 -4.034 -7.152 13.941 1.00 0.00 C ATOM 640 CG PRO A 43 -3.026 -7.637 12.958 1.00 0.00 C ATOM 641 CD PRO A 43 -2.757 -6.481 12.035 1.00 0.00 C ATOM 0 HA PRO A 43 -4.593 -5.048 14.316 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.959 -7.693 14.884 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.049 -7.296 13.571 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.113 -7.956 13.461 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.403 -8.498 12.406 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.725 -6.478 11.685 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.393 -6.516 11.151 1.00 0.00 H new ATOM 649 N CYS A 44 -1.638 -4.886 15.105 1.00 0.00 N ATOM 650 CA CYS A 44 -0.684 -4.634 16.178 1.00 0.00 C ATOM 651 C CYS A 44 -0.496 -3.135 16.397 1.00 0.00 C ATOM 652 O CYS A 44 0.538 -2.696 16.899 1.00 0.00 O ATOM 653 CB CYS A 44 0.662 -5.286 15.856 1.00 0.00 C ATOM 654 SG CYS A 44 1.078 -5.296 14.082 1.00 0.00 S ATOM 0 H CYS A 44 -1.323 -4.585 14.182 1.00 0.00 H new ATOM 0 HA CYS A 44 -1.082 -5.071 17.094 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.447 -4.761 16.399 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.653 -6.313 16.222 1.00 0.00 H new ATOM 659 N ASN A 45 -1.504 -2.356 16.018 1.00 0.00 N ATOM 660 CA ASN A 45 -1.450 -0.907 16.173 1.00 0.00 C ATOM 661 C ASN A 45 -0.317 -0.313 15.341 1.00 0.00 C ATOM 662 O ASN A 45 0.513 0.441 15.851 1.00 0.00 O ATOM 663 CB ASN A 45 -1.265 -0.537 17.646 1.00 0.00 C ATOM 664 CG ASN A 45 -2.483 -0.875 18.484 1.00 0.00 C ATOM 665 OD1 ASN A 45 -2.460 -1.812 19.282 1.00 0.00 O ATOM 666 ND2 ASN A 45 -3.554 -0.110 18.306 1.00 0.00 N ATOM 0 H ASN A 45 -2.368 -2.704 15.602 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.394 -0.493 15.818 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.397 -1.062 18.044 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.057 0.530 17.726 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.403 -0.289 18.842 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.527 0.656 17.633 1.00 0.00 H new ATOM 673 N HIS A 46 -0.289 -0.657 14.057 1.00 0.00 N ATOM 674 CA HIS A 46 0.741 -0.157 13.154 1.00 0.00 C ATOM 675 C HIS A 46 0.131 0.296 11.831 1.00 0.00 C ATOM 676 O HIS A 46 -0.671 -0.418 11.231 1.00 0.00 O ATOM 677 CB HIS A 46 1.795 -1.235 12.901 1.00 0.00 C ATOM 678 CG HIS A 46 2.775 -1.390 14.022 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.292 -2.610 14.407 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.335 -0.471 14.842 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.126 -2.433 15.416 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.171 -1.144 15.699 1.00 0.00 N ATOM 0 H HIS A 46 -0.968 -1.280 13.619 1.00 0.00 H new ATOM 0 HA HIS A 46 1.217 0.702 13.627 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.294 -2.188 12.733 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.337 -0.994 11.987 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.158 0.594 14.826 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.678 -3.211 15.923 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.735 -0.718 16.434 1.00 0.00 H new ATOM 690 N GLU A 47 0.516 1.487 11.384 1.00 0.00 N ATOM 691 CA GLU A 47 0.005 2.035 10.133 1.00 0.00 C ATOM 692 C GLU A 47 0.863 1.589 8.953 1.00 0.00 C ATOM 693 O GLU A 47 2.079 1.435 9.078 1.00 0.00 O ATOM 694 CB GLU A 47 -0.037 3.563 10.199 1.00 0.00 C ATOM 695 CG GLU A 47 -0.929 4.101 11.305 1.00 0.00 C ATOM 696 CD GLU A 47 -0.469 3.672 12.685 1.00 0.00 C ATOM 697 OE1 GLU A 47 0.398 4.362 13.262 1.00 0.00 O ATOM 698 OE2 GLU A 47 -0.976 2.648 13.189 1.00 0.00 O ATOM 0 H GLU A 47 1.180 2.091 11.869 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.007 1.657 9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.975 3.940 10.345 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.386 3.950 9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.948 5.190 11.254 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.950 3.757 11.143 1.00 0.00 H new ATOM 705 N PHE A 48 0.222 1.383 7.807 1.00 0.00 N ATOM 706 CA PHE A 48 0.926 0.953 6.604 1.00 0.00 C ATOM 707 C PHE A 48 0.220 1.461 5.351 1.00 0.00 C ATOM 708 O PHE A 48 -0.817 2.121 5.433 1.00 0.00 O ATOM 709 CB PHE A 48 1.025 -0.573 6.564 1.00 0.00 C ATOM 710 CG PHE A 48 1.868 -1.149 7.666 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.240 -1.268 7.517 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.287 -1.571 8.852 1.00 0.00 C ATOM 713 CE1 PHE A 48 4.018 -1.797 8.529 1.00 0.00 C ATOM 714 CE2 PHE A 48 2.060 -2.100 9.868 1.00 0.00 C ATOM 715 CZ PHE A 48 3.427 -2.214 9.706 1.00 0.00 C ATOM 0 H PHE A 48 -0.783 1.507 7.686 1.00 0.00 H new ATOM 0 HA PHE A 48 1.931 1.375 6.630 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.022 -0.996 6.626 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.440 -0.877 5.603 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.707 -0.943 6.599 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.218 -1.485 8.983 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.087 -1.884 8.400 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.596 -2.424 10.788 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.033 -2.628 10.498 1.00 0.00 H new ATOM 725 N HIS A 49 0.790 1.151 4.191 1.00 0.00 N ATOM 726 CA HIS A 49 0.216 1.576 2.919 1.00 0.00 C ATOM 727 C HIS A 49 -0.601 0.452 2.289 1.00 0.00 C ATOM 728 O HIS A 49 -0.105 -0.658 2.100 1.00 0.00 O ATOM 729 CB HIS A 49 1.321 2.018 1.959 1.00 0.00 C ATOM 730 CG HIS A 49 1.662 3.472 2.068 1.00 0.00 C ATOM 731 ND1 HIS A 49 2.953 3.933 2.223 1.00 0.00 N ATOM 732 CD2 HIS A 49 0.872 4.571 2.041 1.00 0.00 C ATOM 733 CE1 HIS A 49 2.941 5.253 2.288 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.691 5.665 2.180 1.00 0.00 N ATOM 0 H HIS A 49 1.649 0.607 4.105 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.447 2.420 3.112 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.217 1.428 2.152 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.011 1.801 0.937 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.202 4.585 1.931 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.807 5.887 2.409 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.384 6.637 2.197 1.00 0.00 H new ATOM 742 N ALA A 50 -1.856 0.748 1.968 1.00 0.00 N ATOM 743 CA ALA A 50 -2.742 -0.237 1.359 1.00 0.00 C ATOM 744 C ALA A 50 -2.032 -0.996 0.243 1.00 0.00 C ATOM 745 O ALA A 50 -2.347 -2.154 -0.032 1.00 0.00 O ATOM 746 CB ALA A 50 -3.996 0.440 0.825 1.00 0.00 C ATOM 0 H ALA A 50 -2.282 1.662 2.119 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.030 -0.956 2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.648 -0.307 0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.521 0.932 1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.718 1.181 0.075 1.00 0.00 H new ATOM 752 N LYS A 51 -1.074 -0.337 -0.399 1.00 0.00 N ATOM 753 CA LYS A 51 -0.319 -0.949 -1.486 1.00 0.00 C ATOM 754 C LYS A 51 0.883 -1.718 -0.947 1.00 0.00 C ATOM 755 O LYS A 51 1.056 -2.903 -1.237 1.00 0.00 O ATOM 756 CB LYS A 51 0.148 0.120 -2.476 1.00 0.00 C ATOM 757 CG LYS A 51 1.013 1.197 -1.844 1.00 0.00 C ATOM 758 CD LYS A 51 1.240 2.359 -2.796 1.00 0.00 C ATOM 759 CE LYS A 51 2.252 2.006 -3.876 1.00 0.00 C ATOM 760 NZ LYS A 51 1.644 1.182 -4.957 1.00 0.00 N ATOM 0 H LYS A 51 -0.802 0.622 -0.185 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.976 -1.650 -2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.708 -0.360 -3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.725 0.588 -2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.537 1.559 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.973 0.770 -1.554 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.295 2.641 -3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.591 3.226 -2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.661 2.921 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.085 1.463 -3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.968 0.198 -4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.608 1.214 -4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.931 1.558 -5.883 1.00 0.00 H new ATOM 774 N CYS A 52 1.710 -1.039 -0.160 1.00 0.00 N ATOM 775 CA CYS A 52 2.896 -1.657 0.420 1.00 0.00 C ATOM 776 C CYS A 52 2.530 -2.933 1.175 1.00 0.00 C ATOM 777 O CYS A 52 2.814 -4.040 0.718 1.00 0.00 O ATOM 778 CB CYS A 52 3.598 -0.678 1.363 1.00 0.00 C ATOM 779 SG CYS A 52 4.154 0.859 0.559 1.00 0.00 S ATOM 0 H CYS A 52 1.580 -0.059 0.091 1.00 0.00 H new ATOM 0 HA CYS A 52 3.574 -1.917 -0.393 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.919 -0.425 2.177 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.460 -1.174 1.809 1.00 0.00 H new ATOM 784 N VAL A 53 1.896 -2.768 2.332 1.00 0.00 N ATOM 785 CA VAL A 53 1.489 -3.905 3.149 1.00 0.00 C ATOM 786 C VAL A 53 0.971 -5.047 2.282 1.00 0.00 C ATOM 787 O VAL A 53 1.357 -6.202 2.464 1.00 0.00 O ATOM 788 CB VAL A 53 0.398 -3.507 4.161 1.00 0.00 C ATOM 789 CG1 VAL A 53 -0.946 -3.358 3.465 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.317 -4.529 5.284 1.00 0.00 C ATOM 0 H VAL A 53 1.653 -1.858 2.724 1.00 0.00 H new ATOM 0 HA VAL A 53 2.374 -4.238 3.692 1.00 0.00 H new ATOM 0 HB VAL A 53 0.663 -2.543 4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.705 -3.077 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.875 -2.586 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.222 -4.305 3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.459 -4.233 5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.075 -5.507 4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.276 -4.580 5.799 1.00 0.00 H new ATOM 800 N ASP A 54 0.095 -4.717 1.339 1.00 0.00 N ATOM 801 CA ASP A 54 -0.475 -5.715 0.442 1.00 0.00 C ATOM 802 C ASP A 54 0.615 -6.606 -0.144 1.00 0.00 C ATOM 803 O ASP A 54 0.535 -7.832 -0.073 1.00 0.00 O ATOM 804 CB ASP A 54 -1.255 -5.034 -0.684 1.00 0.00 C ATOM 805 CG ASP A 54 -1.794 -6.025 -1.696 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.416 -7.022 -1.276 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.594 -5.802 -2.909 1.00 0.00 O ATOM 0 H ASP A 54 -0.236 -3.766 1.176 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.157 -6.339 1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.083 -4.468 -0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.607 -4.319 -1.190 1.00 0.00 H new ATOM 812 N LYS A 55 1.634 -5.981 -0.724 1.00 0.00 N ATOM 813 CA LYS A 55 2.742 -6.716 -1.323 1.00 0.00 C ATOM 814 C LYS A 55 3.532 -7.471 -0.259 1.00 0.00 C ATOM 815 O LYS A 55 3.923 -8.621 -0.463 1.00 0.00 O ATOM 816 CB LYS A 55 3.668 -5.758 -2.076 1.00 0.00 C ATOM 817 CG LYS A 55 4.868 -6.443 -2.707 1.00 0.00 C ATOM 818 CD LYS A 55 5.906 -5.434 -3.169 1.00 0.00 C ATOM 819 CE LYS A 55 7.309 -6.020 -3.128 1.00 0.00 C ATOM 820 NZ LYS A 55 8.339 -4.975 -2.871 1.00 0.00 N ATOM 0 H LYS A 55 1.716 -4.967 -0.792 1.00 0.00 H new ATOM 0 HA LYS A 55 2.328 -7.440 -2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.098 -5.252 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.019 -4.989 -1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.318 -7.126 -1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.541 -7.044 -3.555 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.675 -5.111 -4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.862 -4.548 -2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.362 -6.781 -2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.523 -6.516 -4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.282 -5.414 -2.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.306 -4.262 -3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.150 -4.519 -1.956 1.00 0.00 H new ATOM 834 N TRP A 56 3.762 -6.819 0.875 1.00 0.00 N ATOM 835 CA TRP A 56 4.505 -7.431 1.971 1.00 0.00 C ATOM 836 C TRP A 56 3.855 -8.741 2.404 1.00 0.00 C ATOM 837 O TRP A 56 4.462 -9.809 2.306 1.00 0.00 O ATOM 838 CB TRP A 56 4.585 -6.471 3.159 1.00 0.00 C ATOM 839 CG TRP A 56 5.260 -7.064 4.358 1.00 0.00 C ATOM 840 CD1 TRP A 56 4.659 -7.510 5.500 1.00 0.00 C ATOM 841 CD2 TRP A 56 6.665 -7.274 4.534 1.00 0.00 C ATOM 842 NE1 TRP A 56 5.605 -7.985 6.376 1.00 0.00 N ATOM 843 CE2 TRP A 56 6.844 -7.852 5.806 1.00 0.00 C ATOM 844 CE3 TRP A 56 7.790 -7.032 3.741 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.101 -8.189 6.301 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.037 -7.366 4.233 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.185 -7.940 5.502 1.00 0.00 C ATOM 0 H TRP A 56 3.445 -5.867 1.060 1.00 0.00 H new ATOM 0 HA TRP A 56 5.514 -7.646 1.618 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.123 -5.573 2.855 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.577 -6.161 3.435 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.596 -7.492 5.687 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.416 -8.373 7.300 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.686 -6.591 2.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.217 -8.631 7.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 9.913 -7.181 3.629 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.173 -8.191 5.857 1.00 0.00 H new ATOM 858 N LEU A 57 2.619 -8.654 2.882 1.00 0.00 N ATOM 859 CA LEU A 57 1.887 -9.833 3.330 1.00 0.00 C ATOM 860 C LEU A 57 2.094 -11.000 2.370 1.00 0.00 C ATOM 861 O LEU A 57 2.022 -12.164 2.765 1.00 0.00 O ATOM 862 CB LEU A 57 0.395 -9.516 3.451 1.00 0.00 C ATOM 863 CG LEU A 57 0.026 -8.378 4.403 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.462 -8.074 4.319 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.422 -8.726 5.830 1.00 0.00 C ATOM 0 H LEU A 57 2.102 -7.779 2.969 1.00 0.00 H new ATOM 0 HA LEU A 57 2.272 -10.119 4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.014 -9.271 2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.122 -10.418 3.777 1.00 0.00 H new ATOM 0 HG LEU A 57 0.576 -7.486 4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.707 -7.262 5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.716 -7.780 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.031 -8.963 4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.152 -7.904 6.493 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.100 -9.631 6.142 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.498 -8.892 5.879 1.00 0.00 H new ATOM 877 N LYS A 58 2.354 -10.681 1.107 1.00 0.00 N ATOM 878 CA LYS A 58 2.576 -11.701 0.089 1.00 0.00 C ATOM 879 C LYS A 58 3.864 -12.471 0.362 1.00 0.00 C ATOM 880 O LYS A 58 3.897 -13.697 0.267 1.00 0.00 O ATOM 881 CB LYS A 58 2.636 -11.061 -1.300 1.00 0.00 C ATOM 882 CG LYS A 58 2.138 -11.970 -2.410 1.00 0.00 C ATOM 883 CD LYS A 58 2.579 -11.473 -3.777 1.00 0.00 C ATOM 884 CE LYS A 58 2.364 -12.530 -4.850 1.00 0.00 C ATOM 885 NZ LYS A 58 3.330 -13.655 -4.723 1.00 0.00 N ATOM 0 H LYS A 58 2.416 -9.723 0.763 1.00 0.00 H new ATOM 0 HA LYS A 58 1.741 -12.401 0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.042 -10.147 -1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.665 -10.771 -1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.514 -12.981 -2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.050 -12.026 -2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.022 -10.572 -4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.633 -11.197 -3.742 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.347 -12.916 -4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.466 -12.074 -5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.314 -14.226 -5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.287 -13.276 -4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.065 -14.250 -3.912 1.00 0.00 H new ATOM 899 N ALA A 59 4.922 -11.742 0.702 1.00 0.00 N ATOM 900 CA ALA A 59 6.212 -12.357 0.993 1.00 0.00 C ATOM 901 C ALA A 59 6.281 -12.829 2.441 1.00 0.00 C ATOM 902 O ALA A 59 6.760 -13.927 2.724 1.00 0.00 O ATOM 903 CB ALA A 59 7.340 -11.380 0.699 1.00 0.00 C ATOM 0 H ALA A 59 4.912 -10.725 0.783 1.00 0.00 H new ATOM 0 HA ALA A 59 6.325 -13.229 0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.297 -11.852 0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.310 -11.096 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.222 -10.491 1.318 1.00 0.00 H new ATOM 909 N ASN A 60 5.801 -11.992 3.355 1.00 0.00 N ATOM 910 CA ASN A 60 5.810 -12.324 4.775 1.00 0.00 C ATOM 911 C ASN A 60 4.430 -12.116 5.391 1.00 0.00 C ATOM 912 O ASN A 60 3.931 -10.992 5.455 1.00 0.00 O ATOM 913 CB ASN A 60 6.844 -11.471 5.513 1.00 0.00 C ATOM 914 CG ASN A 60 8.222 -11.560 4.884 1.00 0.00 C ATOM 915 OD1 ASN A 60 8.996 -12.468 5.185 1.00 0.00 O ATOM 916 ND2 ASN A 60 8.533 -10.614 4.005 1.00 0.00 N ATOM 0 H ASN A 60 5.401 -11.079 3.138 1.00 0.00 H new ATOM 0 HA ASN A 60 6.078 -13.376 4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.516 -10.431 5.518 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.901 -11.793 6.553 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.445 -10.622 3.549 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.859 -9.880 3.786 1.00 0.00 H new ATOM 923 N ARG A 61 3.820 -13.206 5.844 1.00 0.00 N ATOM 924 CA ARG A 61 2.497 -13.143 6.455 1.00 0.00 C ATOM 925 C ARG A 61 2.585 -12.634 7.890 1.00 0.00 C ATOM 926 O ARG A 61 1.982 -13.202 8.801 1.00 0.00 O ATOM 927 CB ARG A 61 1.835 -14.522 6.431 1.00 0.00 C ATOM 928 CG ARG A 61 0.343 -14.486 6.716 1.00 0.00 C ATOM 929 CD ARG A 61 -0.285 -15.864 6.574 1.00 0.00 C ATOM 930 NE ARG A 61 -0.714 -16.131 5.204 1.00 0.00 N ATOM 931 CZ ARG A 61 -1.892 -15.756 4.717 1.00 0.00 C ATOM 932 NH1 ARG A 61 -2.752 -15.101 5.484 1.00 0.00 N ATOM 933 NH2 ARG A 61 -2.210 -16.036 3.459 1.00 0.00 N ATOM 0 H ARG A 61 4.220 -14.143 5.800 1.00 0.00 H new ATOM 0 HA ARG A 61 1.890 -12.446 5.877 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.999 -14.977 5.454 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.322 -15.162 7.167 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.173 -14.110 7.725 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.143 -13.791 6.031 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.433 -16.623 6.884 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.141 -15.943 7.244 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.075 -16.633 4.587 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.510 -14.884 6.451 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.656 -14.814 5.107 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.550 -16.539 2.866 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.114 -15.748 3.085 1.00 0.00 H new ATOM 947 N THR A 62 3.342 -11.558 8.086 1.00 0.00 N ATOM 948 CA THR A 62 3.510 -10.973 9.410 1.00 0.00 C ATOM 949 C THR A 62 3.755 -9.471 9.320 1.00 0.00 C ATOM 950 O THR A 62 3.702 -8.887 8.238 1.00 0.00 O ATOM 951 CB THR A 62 4.679 -11.628 10.169 1.00 0.00 C ATOM 952 OG1 THR A 62 5.728 -11.969 9.255 1.00 0.00 O ATOM 953 CG2 THR A 62 4.216 -12.876 10.905 1.00 0.00 C ATOM 0 H THR A 62 3.848 -11.075 7.344 1.00 0.00 H new ATOM 0 HA THR A 62 2.585 -11.155 9.956 1.00 0.00 H new ATOM 0 HB THR A 62 5.053 -10.912 10.901 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.468 -12.383 9.746 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.059 -13.321 11.433 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.439 -12.609 11.621 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.817 -13.594 10.188 1.00 0.00 H new ATOM 961 N CYS A 63 4.024 -8.851 10.464 1.00 0.00 N ATOM 962 CA CYS A 63 4.277 -7.416 10.515 1.00 0.00 C ATOM 963 C CYS A 63 5.763 -7.120 10.335 1.00 0.00 C ATOM 964 O CYS A 63 6.615 -7.618 11.072 1.00 0.00 O ATOM 965 CB CYS A 63 3.788 -6.837 11.845 1.00 0.00 C ATOM 966 SG CYS A 63 4.081 -5.049 12.030 1.00 0.00 S ATOM 0 H CYS A 63 4.072 -9.320 11.368 1.00 0.00 H new ATOM 0 HA CYS A 63 3.729 -6.946 9.699 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.720 -7.031 11.943 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.284 -7.362 12.662 1.00 0.00 H new ATOM 971 N PRO A 64 6.084 -6.288 9.333 1.00 0.00 N ATOM 972 CA PRO A 64 7.467 -5.906 9.033 1.00 0.00 C ATOM 973 C PRO A 64 8.063 -5.000 10.105 1.00 0.00 C ATOM 974 O PRO A 64 9.183 -4.508 9.962 1.00 0.00 O ATOM 975 CB PRO A 64 7.347 -5.154 7.705 1.00 0.00 C ATOM 976 CG PRO A 64 5.950 -4.635 7.688 1.00 0.00 C ATOM 977 CD PRO A 64 5.120 -5.657 8.416 1.00 0.00 C ATOM 0 HA PRO A 64 8.129 -6.771 8.991 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.072 -4.342 7.643 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.534 -5.814 6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.889 -3.663 8.177 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.596 -4.501 6.666 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.295 -5.193 8.957 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.683 -6.383 7.730 1.00 0.00 H new ATOM 985 N ILE A 65 7.310 -4.785 11.178 1.00 0.00 N ATOM 986 CA ILE A 65 7.766 -3.940 12.275 1.00 0.00 C ATOM 987 C ILE A 65 8.010 -4.761 13.536 1.00 0.00 C ATOM 988 O ILE A 65 9.154 -4.983 13.935 1.00 0.00 O ATOM 989 CB ILE A 65 6.749 -2.827 12.589 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.518 -1.954 11.354 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.231 -1.984 13.759 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.655 -0.741 11.624 1.00 0.00 C ATOM 0 H ILE A 65 6.381 -5.184 11.311 1.00 0.00 H new ATOM 0 HA ILE A 65 8.703 -3.484 11.954 1.00 0.00 H new ATOM 0 HB ILE A 65 5.801 -3.288 12.866 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.482 -1.625 10.966 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.050 -2.557 10.575 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.502 -1.202 13.969 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.348 -2.616 14.639 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.189 -1.529 13.509 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.534 -0.169 10.704 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.677 -1.063 11.983 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.131 -0.116 12.380 1.00 0.00 H new ATOM 1004 N CYS A 66 6.927 -5.212 14.161 1.00 0.00 N ATOM 1005 CA CYS A 66 7.022 -6.011 15.377 1.00 0.00 C ATOM 1006 C CYS A 66 6.903 -7.499 15.061 1.00 0.00 C ATOM 1007 O CYS A 66 6.908 -8.338 15.963 1.00 0.00 O ATOM 1008 CB CYS A 66 5.931 -5.600 16.368 1.00 0.00 C ATOM 1009 SG CYS A 66 4.236 -5.920 15.783 1.00 0.00 S ATOM 0 H CYS A 66 5.973 -5.037 13.845 1.00 0.00 H new ATOM 0 HA CYS A 66 7.999 -5.830 15.826 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.087 -6.134 17.306 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.034 -4.537 16.585 1.00 0.00 H new ATOM 1014 N ARG A 67 6.797 -7.819 13.776 1.00 0.00 N ATOM 1015 CA ARG A 67 6.676 -9.205 13.341 1.00 0.00 C ATOM 1016 C ARG A 67 5.861 -10.020 14.341 1.00 0.00 C ATOM 1017 O ARG A 67 6.163 -11.184 14.600 1.00 0.00 O ATOM 1018 CB ARG A 67 8.062 -9.830 13.167 1.00 0.00 C ATOM 1019 CG ARG A 67 8.798 -9.344 11.929 1.00 0.00 C ATOM 1020 CD ARG A 67 9.476 -8.005 12.175 1.00 0.00 C ATOM 1021 NE ARG A 67 10.685 -7.848 11.371 1.00 0.00 N ATOM 1022 CZ ARG A 67 11.876 -8.307 11.737 1.00 0.00 C ATOM 1023 NH1 ARG A 67 12.017 -8.950 12.888 1.00 0.00 N ATOM 1024 NH2 ARG A 67 12.930 -8.125 10.951 1.00 0.00 N ATOM 0 H ARG A 67 6.792 -7.137 13.018 1.00 0.00 H new ATOM 0 HA ARG A 67 6.157 -9.214 12.382 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.664 -9.608 14.048 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.959 -10.914 13.116 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.544 -10.082 11.634 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.096 -9.251 11.100 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.780 -7.198 11.944 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.729 -7.915 13.231 1.00 0.00 H new ATOM 0 HE ARG A 67 10.610 -7.359 10.479 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.209 -9.093 13.495 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.933 -9.302 13.167 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.826 -7.632 10.064 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.844 -8.478 11.234 1.00 0.00 H new ATOM 1038 N ALA A 68 4.828 -9.398 14.900 1.00 0.00 N ATOM 1039 CA ALA A 68 3.969 -10.066 15.870 1.00 0.00 C ATOM 1040 C ALA A 68 3.055 -11.078 15.189 1.00 0.00 C ATOM 1041 O ALA A 68 3.233 -12.287 15.337 1.00 0.00 O ATOM 1042 CB ALA A 68 3.147 -9.042 16.639 1.00 0.00 C ATOM 0 H ALA A 68 4.566 -8.433 14.698 1.00 0.00 H new ATOM 0 HA ALA A 68 4.605 -10.606 16.571 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.510 -9.554 17.360 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.815 -8.360 17.165 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.526 -8.477 15.943 1.00 0.00 H new ATOM 1048 N ASP A 69 2.075 -10.577 14.445 1.00 0.00 N ATOM 1049 CA ASP A 69 1.133 -11.438 13.740 1.00 0.00 C ATOM 1050 C ASP A 69 0.169 -10.611 12.894 1.00 0.00 C ATOM 1051 O ASP A 69 -0.340 -9.584 13.341 1.00 0.00 O ATOM 1052 CB ASP A 69 0.350 -12.295 14.736 1.00 0.00 C ATOM 1053 CG ASP A 69 -0.549 -13.304 14.050 1.00 0.00 C ATOM 1054 OD1 ASP A 69 -0.231 -13.705 12.910 1.00 0.00 O ATOM 1055 OD2 ASP A 69 -1.571 -13.694 14.652 1.00 0.00 O ATOM 0 H ASP A 69 1.912 -9.579 14.315 1.00 0.00 H new ATOM 0 HA ASP A 69 1.701 -12.091 13.077 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.049 -12.819 15.388 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.254 -11.648 15.372 1.00 0.00 H new ATOM 1060 N SER A 70 -0.075 -11.067 11.670 1.00 0.00 N ATOM 1061 CA SER A 70 -0.973 -10.367 10.759 1.00 0.00 C ATOM 1062 C SER A 70 -2.012 -11.323 10.180 1.00 0.00 C ATOM 1063 O SER A 70 -2.356 -11.244 9.001 1.00 0.00 O ATOM 1064 CB SER A 70 -0.178 -9.713 9.627 1.00 0.00 C ATOM 1065 OG SER A 70 -1.039 -9.050 8.717 1.00 0.00 O ATOM 0 H SER A 70 0.336 -11.918 11.286 1.00 0.00 H new ATOM 0 HA SER A 70 -1.492 -9.592 11.323 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.535 -9.001 10.043 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.400 -10.471 9.099 1.00 0.00 H new ATOM 0 HG SER A 70 -1.736 -9.670 8.415 1.00 0.00 H new ATOM 1071 N GLY A 71 -2.509 -12.226 11.019 1.00 0.00 N ATOM 1072 CA GLY A 71 -3.503 -13.185 10.573 1.00 0.00 C ATOM 1073 C GLY A 71 -4.346 -13.719 11.715 1.00 0.00 C ATOM 1074 O GLY A 71 -3.885 -13.842 12.850 1.00 0.00 O ATOM 0 H GLY A 71 -2.241 -12.311 12.000 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.153 -12.714 9.835 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.004 -14.016 10.074 1.00 0.00 H new ATOM 1078 N PRO A 72 -5.613 -14.045 11.418 1.00 0.00 N ATOM 1079 CA PRO A 72 -6.549 -14.573 12.415 1.00 0.00 C ATOM 1080 C PRO A 72 -6.186 -15.986 12.860 1.00 0.00 C ATOM 1081 O PRO A 72 -6.118 -16.272 14.055 1.00 0.00 O ATOM 1082 CB PRO A 72 -7.890 -14.573 11.678 1.00 0.00 C ATOM 1083 CG PRO A 72 -7.529 -14.664 10.235 1.00 0.00 C ATOM 1084 CD PRO A 72 -6.229 -13.924 10.086 1.00 0.00 C ATOM 0 HA PRO A 72 -6.549 -13.978 13.329 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.510 -15.415 11.985 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.457 -13.666 11.888 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.424 -15.703 9.924 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.304 -14.221 9.610 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.602 -14.366 9.312 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.389 -12.882 9.811 1.00 0.00 H new ATOM 1092 N SER A 73 -5.953 -16.865 11.891 1.00 0.00 N ATOM 1093 CA SER A 73 -5.600 -18.249 12.183 1.00 0.00 C ATOM 1094 C SER A 73 -4.162 -18.543 11.768 1.00 0.00 C ATOM 1095 O SER A 73 -3.563 -17.797 10.993 1.00 0.00 O ATOM 1096 CB SER A 73 -6.555 -19.204 11.464 1.00 0.00 C ATOM 1097 OG SER A 73 -7.729 -19.422 12.227 1.00 0.00 O ATOM 0 H SER A 73 -6.002 -16.643 10.897 1.00 0.00 H new ATOM 0 HA SER A 73 -5.687 -18.400 13.259 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.821 -18.792 10.491 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.054 -20.155 11.282 1.00 0.00 H new ATOM 0 HG SER A 73 -8.323 -20.034 11.745 1.00 0.00 H new ATOM 1103 N SER A 74 -3.613 -19.635 12.290 1.00 0.00 N ATOM 1104 CA SER A 74 -2.243 -20.026 11.978 1.00 0.00 C ATOM 1105 C SER A 74 -2.146 -20.578 10.559 1.00 0.00 C ATOM 1106 O SER A 74 -1.260 -20.201 9.793 1.00 0.00 O ATOM 1107 CB SER A 74 -1.748 -21.071 12.979 1.00 0.00 C ATOM 1108 OG SER A 74 -1.474 -20.481 14.238 1.00 0.00 O ATOM 0 H SER A 74 -4.096 -20.265 12.931 1.00 0.00 H new ATOM 0 HA SER A 74 -1.613 -19.139 12.048 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.499 -21.852 13.096 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.847 -21.550 12.594 1.00 0.00 H new ATOM 0 HG SER A 74 -1.161 -21.170 14.861 1.00 0.00 H new ATOM 1114 N GLY A 75 -3.065 -21.476 10.216 1.00 0.00 N ATOM 1115 CA GLY A 75 -3.066 -22.067 8.890 1.00 0.00 C ATOM 1116 C GLY A 75 -3.578 -21.112 7.830 1.00 0.00 C ATOM 1117 O GLY A 75 -4.655 -21.346 7.283 1.00 0.00 O ATOM 0 H GLY A 75 -3.808 -21.805 10.832 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.054 -22.380 8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.685 -22.964 8.896 1.00 0.00 H new TER 1121 GLY A 75 HETATM 1122 ZN ZN A 201 4.526 2.615 2.084 1.00 0.00 ZN HETATM 1123 ZN ZN A 401 3.334 -4.633 14.182 1.00 0.00 ZN