USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 732 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 Single : A 31 THR OG1 : rot 18:sc= 0.395 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 87:sc= 0.0837 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.749 F(o=-1.6,f=-0.75) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.407! X(o=-0.41!,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 1.28 (180deg=1.15) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -173:sc= -0.564 (180deg=-0.638) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -44:sc= 0.0922 USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= 1.06 (180deg=0.98) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot 170:sc= -0.0607 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= -0.715 X(o=-0.71,f=-0.71) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= -0.0348 X(o=-0.035,f=-0.054) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 MET CE :methyl 179:sc= -0.682 (180deg=-0.686) USER MOD Single : B 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 60 TYR OH : rot 180:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.282) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 31 -8.134 13.583 -12.810 1.00 0.00 N ATOM 2 CA THR A 31 -7.501 12.252 -12.740 1.00 0.00 C ATOM 3 C THR A 31 -6.807 12.019 -11.388 1.00 0.00 C ATOM 4 O THR A 31 -6.331 12.966 -10.755 1.00 0.00 O ATOM 5 CB THR A 31 -6.462 12.108 -13.869 1.00 0.00 C ATOM 6 OG1 THR A 31 -6.911 12.721 -15.066 1.00 0.00 O ATOM 7 CG2 THR A 31 -6.139 10.659 -14.224 1.00 0.00 C ATOM 0 HA THR A 31 -8.290 11.508 -12.852 1.00 0.00 H new ATOM 0 HB THR A 31 -5.569 12.593 -13.475 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.635 13.349 -14.860 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.401 10.637 -15.026 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.738 10.150 -13.347 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.047 10.154 -14.553 1.00 0.00 H new ATOM 15 N ARG A 32 -6.691 10.758 -10.951 1.00 0.00 N ATOM 16 CA ARG A 32 -6.050 10.361 -9.680 1.00 0.00 C ATOM 17 C ARG A 32 -4.576 9.993 -9.893 1.00 0.00 C ATOM 18 O ARG A 32 -4.218 8.835 -10.105 1.00 0.00 O ATOM 19 CB ARG A 32 -6.891 9.276 -8.965 1.00 0.00 C ATOM 20 CG ARG A 32 -7.540 9.790 -7.669 1.00 0.00 C ATOM 21 CD ARG A 32 -8.534 10.946 -7.878 1.00 0.00 C ATOM 22 NE ARG A 32 -9.913 10.587 -7.477 1.00 0.00 N ATOM 23 CZ ARG A 32 -10.430 10.558 -6.262 1.00 0.00 C ATOM 24 NH1 ARG A 32 -9.732 10.807 -5.190 1.00 0.00 N ATOM 25 NH2 ARG A 32 -11.687 10.266 -6.107 1.00 0.00 N ATOM 0 H ARG A 32 -7.047 9.963 -11.481 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.029 11.213 -9.000 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.669 8.921 -9.641 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.255 8.422 -8.734 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.058 8.964 -7.183 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.755 10.119 -6.988 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.206 11.812 -7.303 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.529 11.240 -8.928 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.544 10.329 -8.236 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.741 11.037 -5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.176 10.772 -4.273 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.267 10.061 -6.921 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.093 10.242 -5.172 1.00 0.00 H new ATOM 39 N ALA A 33 -3.727 11.018 -9.869 1.00 0.00 N ATOM 40 CA ALA A 33 -2.268 10.926 -9.926 1.00 0.00 C ATOM 41 C ALA A 33 -1.683 10.243 -8.669 1.00 0.00 C ATOM 42 O ALA A 33 -2.008 10.630 -7.543 1.00 0.00 O ATOM 43 CB ALA A 33 -1.727 12.351 -10.081 1.00 0.00 C ATOM 0 H ALA A 33 -4.053 11.983 -9.806 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.969 10.306 -10.771 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.638 12.324 -10.127 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.118 12.791 -10.998 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.039 12.953 -9.228 1.00 0.00 H new ATOM 49 N VAL A 34 -0.813 9.239 -8.849 1.00 0.00 N ATOM 50 CA VAL A 34 -0.192 8.430 -7.788 1.00 0.00 C ATOM 51 C VAL A 34 1.244 8.059 -8.163 1.00 0.00 C ATOM 52 O VAL A 34 1.467 7.191 -9.003 1.00 0.00 O ATOM 53 CB VAL A 34 -1.015 7.162 -7.464 1.00 0.00 C ATOM 54 CG1 VAL A 34 -0.320 6.369 -6.351 1.00 0.00 C ATOM 55 CG2 VAL A 34 -2.437 7.472 -6.983 1.00 0.00 C ATOM 0 H VAL A 34 -0.509 8.955 -9.780 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.173 9.042 -6.886 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.080 6.596 -8.393 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.901 5.475 -6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.678 6.079 -6.680 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.242 6.988 -5.457 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.961 6.540 -6.773 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.391 8.075 -6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.971 8.022 -7.758 1.00 0.00 H new ATOM 65 N SER A 35 2.221 8.717 -7.542 1.00 0.00 N ATOM 66 CA SER A 35 3.657 8.524 -7.793 1.00 0.00 C ATOM 67 C SER A 35 4.400 7.840 -6.639 1.00 0.00 C ATOM 68 O SER A 35 4.271 8.242 -5.479 1.00 0.00 O ATOM 69 CB SER A 35 4.294 9.868 -8.133 1.00 0.00 C ATOM 70 OG SER A 35 5.637 9.687 -8.550 1.00 0.00 O ATOM 0 H SER A 35 2.035 9.421 -6.828 1.00 0.00 H new ATOM 0 HA SER A 35 3.747 7.841 -8.638 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.724 10.358 -8.922 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.262 10.523 -7.263 1.00 0.00 H new ATOM 0 HG SER A 35 6.032 10.557 -8.766 1.00 0.00 H new ATOM 76 N LEU A 36 5.169 6.794 -6.966 1.00 0.00 N ATOM 77 CA LEU A 36 5.935 5.936 -6.055 1.00 0.00 C ATOM 78 C LEU A 36 7.418 5.820 -6.459 1.00 0.00 C ATOM 79 O LEU A 36 7.835 6.243 -7.540 1.00 0.00 O ATOM 80 CB LEU A 36 5.284 4.533 -5.990 1.00 0.00 C ATOM 81 CG LEU A 36 4.050 4.345 -5.089 1.00 0.00 C ATOM 82 CD1 LEU A 36 4.249 4.915 -3.682 1.00 0.00 C ATOM 83 CD2 LEU A 36 2.759 4.891 -5.679 1.00 0.00 C ATOM 0 H LEU A 36 5.280 6.506 -7.938 1.00 0.00 H new ATOM 0 HA LEU A 36 5.912 6.401 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.002 4.249 -7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.047 3.827 -5.662 1.00 0.00 H new ATOM 0 HG LEU A 36 3.945 3.262 -5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.346 4.753 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.090 4.414 -3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.453 5.984 -3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.939 4.718 -4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.865 5.961 -5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.547 4.385 -6.621 1.00 0.00 H new ATOM 95 N TYR A 37 8.203 5.207 -5.569 1.00 0.00 N ATOM 96 CA TYR A 37 9.669 5.199 -5.564 1.00 0.00 C ATOM 97 C TYR A 37 10.200 3.766 -5.363 1.00 0.00 C ATOM 98 O TYR A 37 10.549 3.349 -4.255 1.00 0.00 O ATOM 99 CB TYR A 37 10.153 6.203 -4.500 1.00 0.00 C ATOM 100 CG TYR A 37 9.552 7.593 -4.653 1.00 0.00 C ATOM 101 CD1 TYR A 37 10.083 8.491 -5.600 1.00 0.00 C ATOM 102 CD2 TYR A 37 8.418 7.962 -3.900 1.00 0.00 C ATOM 103 CE1 TYR A 37 9.483 9.749 -5.801 1.00 0.00 C ATOM 104 CE2 TYR A 37 7.806 9.213 -4.107 1.00 0.00 C ATOM 105 CZ TYR A 37 8.337 10.112 -5.057 1.00 0.00 C ATOM 106 OH TYR A 37 7.742 11.322 -5.248 1.00 0.00 O ATOM 0 H TYR A 37 7.813 4.675 -4.791 1.00 0.00 H new ATOM 0 HA TYR A 37 10.070 5.520 -6.525 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.907 5.817 -3.511 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.239 6.279 -4.552 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.954 8.213 -6.174 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.018 7.283 -3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.898 10.436 -6.523 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.929 9.485 -3.538 1.00 0.00 H new ATOM 0 HH TYR A 37 6.967 11.403 -4.654 1.00 0.00 H new ATOM 116 N PHE A 38 10.174 2.976 -6.441 1.00 0.00 N ATOM 117 CA PHE A 38 10.599 1.578 -6.514 1.00 0.00 C ATOM 118 C PHE A 38 12.134 1.441 -6.471 1.00 0.00 C ATOM 119 O PHE A 38 12.856 2.427 -6.636 1.00 0.00 O ATOM 120 CB PHE A 38 10.043 1.024 -7.836 1.00 0.00 C ATOM 121 CG PHE A 38 8.579 0.596 -7.808 1.00 0.00 C ATOM 122 CD1 PHE A 38 7.552 1.526 -7.549 1.00 0.00 C ATOM 123 CD2 PHE A 38 8.237 -0.746 -8.070 1.00 0.00 C ATOM 124 CE1 PHE A 38 6.206 1.119 -7.554 1.00 0.00 C ATOM 125 CE2 PHE A 38 6.893 -1.160 -8.042 1.00 0.00 C ATOM 126 CZ PHE A 38 5.878 -0.226 -7.785 1.00 0.00 C ATOM 0 H PHE A 38 9.835 3.318 -7.340 1.00 0.00 H new ATOM 0 HA PHE A 38 10.222 1.022 -5.656 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.166 1.784 -8.608 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.648 0.167 -8.133 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.800 2.557 -7.346 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.013 -1.462 -8.294 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.423 1.843 -7.380 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.643 -2.196 -8.218 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.845 -0.542 -7.765 1.00 0.00 H new ATOM 136 N SER A 39 12.651 0.216 -6.310 1.00 0.00 N ATOM 137 CA SER A 39 14.084 -0.050 -6.487 1.00 0.00 C ATOM 138 C SER A 39 14.418 -0.435 -7.919 1.00 0.00 C ATOM 139 O SER A 39 13.532 -0.776 -8.704 1.00 0.00 O ATOM 140 CB SER A 39 14.598 -1.098 -5.489 1.00 0.00 C ATOM 141 OG SER A 39 14.262 -2.416 -5.893 1.00 0.00 O ATOM 0 H SER A 39 12.100 -0.604 -6.058 1.00 0.00 H new ATOM 0 HA SER A 39 14.605 0.883 -6.275 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.680 -1.011 -5.395 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.176 -0.900 -4.504 1.00 0.00 H new ATOM 0 HG SER A 39 14.954 -2.760 -6.496 1.00 0.00 H new ATOM 147 N ASP A 40 15.706 -0.408 -8.262 1.00 0.00 N ATOM 148 CA ASP A 40 16.191 -0.852 -9.565 1.00 0.00 C ATOM 149 C ASP A 40 15.737 -2.285 -9.870 1.00 0.00 C ATOM 150 O ASP A 40 15.260 -2.547 -10.970 1.00 0.00 O ATOM 151 CB ASP A 40 17.718 -0.724 -9.632 1.00 0.00 C ATOM 152 CG ASP A 40 18.159 0.744 -9.597 1.00 0.00 C ATOM 153 OD1 ASP A 40 17.891 1.461 -10.591 1.00 0.00 O ATOM 154 OD2 ASP A 40 18.756 1.181 -8.586 1.00 0.00 O ATOM 0 H ASP A 40 16.443 -0.076 -7.640 1.00 0.00 H new ATOM 0 HA ASP A 40 15.758 -0.208 -10.331 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.166 -1.260 -8.796 1.00 0.00 H new ATOM 0 HB3 ASP A 40 18.084 -1.194 -10.545 1.00 0.00 H new ATOM 159 N GLU A 41 15.833 -3.211 -8.912 1.00 0.00 N ATOM 160 CA GLU A 41 15.360 -4.596 -9.051 1.00 0.00 C ATOM 161 C GLU A 41 13.844 -4.652 -9.267 1.00 0.00 C ATOM 162 O GLU A 41 13.366 -5.274 -10.214 1.00 0.00 O ATOM 163 CB GLU A 41 15.708 -5.408 -7.797 1.00 0.00 C ATOM 164 CG GLU A 41 17.212 -5.469 -7.507 1.00 0.00 C ATOM 165 CD GLU A 41 17.858 -6.740 -8.093 1.00 0.00 C ATOM 166 OE1 GLU A 41 18.078 -6.799 -9.327 1.00 0.00 O ATOM 167 OE2 GLU A 41 18.153 -7.688 -7.322 1.00 0.00 O ATOM 0 H GLU A 41 16.249 -3.018 -8.001 1.00 0.00 H new ATOM 0 HA GLU A 41 15.858 -5.021 -9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.198 -4.972 -6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.327 -6.423 -7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.699 -4.588 -7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.376 -5.442 -6.430 1.00 0.00 H new ATOM 174 N GLN A 42 13.089 -3.986 -8.388 1.00 0.00 N ATOM 175 CA GLN A 42 11.624 -3.946 -8.391 1.00 0.00 C ATOM 176 C GLN A 42 11.057 -3.394 -9.716 1.00 0.00 C ATOM 177 O GLN A 42 10.082 -3.923 -10.251 1.00 0.00 O ATOM 178 CB GLN A 42 11.163 -3.118 -7.180 1.00 0.00 C ATOM 179 CG GLN A 42 9.887 -3.671 -6.543 1.00 0.00 C ATOM 180 CD GLN A 42 10.159 -4.957 -5.757 1.00 0.00 C ATOM 181 OE1 GLN A 42 9.750 -6.107 -6.248 1.00 0.00 O flip ATOM 182 NE2 GLN A 42 10.736 -4.950 -4.678 1.00 0.00 N flip ATOM 0 H GLN A 42 13.496 -3.441 -7.628 1.00 0.00 H new ATOM 0 HA GLN A 42 11.236 -4.961 -8.310 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.958 -3.097 -6.434 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.992 -2.088 -7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.458 -2.922 -5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.148 -3.868 -7.320 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.061 -4.069 -4.279 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.892 -5.825 -4.177 1.00 0.00 H new ATOM 191 N TYR A 43 11.701 -2.359 -10.266 1.00 0.00 N ATOM 192 CA TYR A 43 11.417 -1.755 -11.572 1.00 0.00 C ATOM 193 C TYR A 43 11.733 -2.716 -12.716 1.00 0.00 C ATOM 194 O TYR A 43 10.901 -2.983 -13.580 1.00 0.00 O ATOM 195 CB TYR A 43 12.281 -0.496 -11.724 1.00 0.00 C ATOM 196 CG TYR A 43 11.821 0.468 -12.800 1.00 0.00 C ATOM 197 CD1 TYR A 43 12.216 0.275 -14.138 1.00 0.00 C ATOM 198 CD2 TYR A 43 11.010 1.569 -12.458 1.00 0.00 C ATOM 199 CE1 TYR A 43 11.800 1.179 -15.135 1.00 0.00 C ATOM 200 CE2 TYR A 43 10.603 2.482 -13.451 1.00 0.00 C ATOM 201 CZ TYR A 43 10.991 2.284 -14.795 1.00 0.00 C ATOM 202 OH TYR A 43 10.600 3.158 -15.763 1.00 0.00 O ATOM 0 H TYR A 43 12.474 -1.896 -9.788 1.00 0.00 H new ATOM 0 HA TYR A 43 10.355 -1.512 -11.619 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.301 0.030 -10.770 1.00 0.00 H new ATOM 0 HB3 TYR A 43 13.305 -0.800 -11.942 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.839 -0.567 -14.400 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.700 1.713 -11.433 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.101 1.026 -16.161 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.994 3.333 -13.185 1.00 0.00 H new ATOM 0 HH TYR A 43 10.047 3.862 -15.364 1.00 0.00 H new ATOM 212 N GLN A 44 12.958 -3.238 -12.708 1.00 0.00 N ATOM 213 CA GLN A 44 13.498 -4.142 -13.731 1.00 0.00 C ATOM 214 C GLN A 44 12.692 -5.437 -13.867 1.00 0.00 C ATOM 215 O GLN A 44 12.491 -5.916 -14.980 1.00 0.00 O ATOM 216 CB GLN A 44 14.963 -4.487 -13.454 1.00 0.00 C ATOM 217 CG GLN A 44 15.917 -3.390 -13.953 1.00 0.00 C ATOM 218 CD GLN A 44 17.353 -3.655 -13.512 1.00 0.00 C ATOM 219 OE1 GLN A 44 18.235 -3.984 -14.297 1.00 0.00 O ATOM 220 NE2 GLN A 44 17.636 -3.523 -12.235 1.00 0.00 N ATOM 0 H GLN A 44 13.628 -3.039 -11.965 1.00 0.00 H new ATOM 0 HA GLN A 44 13.423 -3.599 -14.673 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.105 -4.631 -12.383 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.211 -5.431 -13.939 1.00 0.00 H new ATOM 0 HG2 GLN A 44 15.873 -3.336 -15.041 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.591 -2.422 -13.572 1.00 0.00 H new ATOM 0 HE21 GLN A 44 16.907 -3.249 -11.577 1.00 0.00 H new ATOM 0 HE22 GLN A 44 18.585 -3.694 -11.903 1.00 0.00 H new ATOM 229 N LYS A 45 12.184 -5.984 -12.759 1.00 0.00 N ATOM 230 CA LYS A 45 11.244 -7.115 -12.759 1.00 0.00 C ATOM 231 C LYS A 45 9.982 -6.807 -13.579 1.00 0.00 C ATOM 232 O LYS A 45 9.518 -7.661 -14.333 1.00 0.00 O ATOM 233 CB LYS A 45 10.918 -7.522 -11.310 1.00 0.00 C ATOM 234 CG LYS A 45 10.716 -9.040 -11.140 1.00 0.00 C ATOM 235 CD LYS A 45 11.983 -9.791 -10.701 1.00 0.00 C ATOM 236 CE LYS A 45 13.130 -9.727 -11.718 1.00 0.00 C ATOM 237 NZ LYS A 45 14.279 -10.551 -11.266 1.00 0.00 N ATOM 0 H LYS A 45 12.415 -5.651 -11.823 1.00 0.00 H new ATOM 0 HA LYS A 45 11.719 -7.965 -13.250 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.726 -7.193 -10.656 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.015 -7.003 -10.987 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.930 -9.212 -10.404 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.366 -9.458 -12.084 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.328 -9.378 -9.753 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.729 -10.836 -10.520 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.782 -10.081 -12.689 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.448 -8.693 -11.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.988 -10.605 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.707 -10.117 -10.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.949 -11.509 -11.033 1.00 0.00 H new ATOM 251 N LEU A 46 9.469 -5.573 -13.494 1.00 0.00 N ATOM 252 CA LEU A 46 8.369 -5.092 -14.340 1.00 0.00 C ATOM 253 C LEU A 46 8.779 -4.772 -15.782 1.00 0.00 C ATOM 254 O LEU A 46 8.059 -5.122 -16.712 1.00 0.00 O ATOM 255 CB LEU A 46 7.655 -3.920 -13.633 1.00 0.00 C ATOM 256 CG LEU A 46 6.229 -4.370 -13.293 1.00 0.00 C ATOM 257 CD1 LEU A 46 5.549 -3.516 -12.233 1.00 0.00 C ATOM 258 CD2 LEU A 46 5.336 -4.311 -14.535 1.00 0.00 C ATOM 0 H LEU A 46 9.808 -4.875 -12.832 1.00 0.00 H new ATOM 0 HA LEU A 46 7.660 -5.911 -14.459 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.192 -3.637 -12.727 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.634 -3.042 -14.278 1.00 0.00 H new ATOM 0 HG LEU A 46 6.343 -5.384 -12.911 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.545 -3.897 -12.048 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.127 -3.553 -11.310 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.487 -2.485 -12.581 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.328 -4.634 -14.274 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.303 -3.289 -14.911 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.740 -4.968 -15.305 1.00 0.00 H new ATOM 270 N GLU A 47 9.956 -4.195 -16.001 1.00 0.00 N ATOM 271 CA GLU A 47 10.519 -3.978 -17.342 1.00 0.00 C ATOM 272 C GLU A 47 10.712 -5.294 -18.123 1.00 0.00 C ATOM 273 O GLU A 47 10.363 -5.386 -19.303 1.00 0.00 O ATOM 274 CB GLU A 47 11.827 -3.186 -17.213 1.00 0.00 C ATOM 275 CG GLU A 47 12.389 -2.730 -18.563 1.00 0.00 C ATOM 276 CD GLU A 47 13.702 -1.947 -18.372 1.00 0.00 C ATOM 277 OE1 GLU A 47 13.655 -0.711 -18.159 1.00 0.00 O ATOM 278 OE2 GLU A 47 14.794 -2.565 -18.431 1.00 0.00 O ATOM 0 H GLU A 47 10.557 -3.859 -15.249 1.00 0.00 H new ATOM 0 HA GLU A 47 9.807 -3.398 -17.928 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.655 -2.313 -16.584 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.570 -3.803 -16.707 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.566 -3.597 -19.200 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.658 -2.104 -19.074 1.00 0.00 H new ATOM 285 N LYS A 48 11.209 -6.343 -17.458 1.00 0.00 N ATOM 286 CA LYS A 48 11.410 -7.682 -18.027 1.00 0.00 C ATOM 287 C LYS A 48 10.090 -8.345 -18.438 1.00 0.00 C ATOM 288 O LYS A 48 10.033 -9.009 -19.473 1.00 0.00 O ATOM 289 CB LYS A 48 12.224 -8.537 -17.039 1.00 0.00 C ATOM 290 CG LYS A 48 12.624 -9.893 -17.651 1.00 0.00 C ATOM 291 CD LYS A 48 13.645 -10.672 -16.807 1.00 0.00 C ATOM 292 CE LYS A 48 15.034 -10.017 -16.844 1.00 0.00 C ATOM 293 NZ LYS A 48 16.064 -10.878 -16.206 1.00 0.00 N ATOM 0 H LYS A 48 11.491 -6.283 -16.480 1.00 0.00 H new ATOM 0 HA LYS A 48 11.980 -7.590 -18.952 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.121 -7.994 -16.741 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.638 -8.705 -16.135 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.729 -10.503 -17.778 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.039 -9.725 -18.645 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.297 -10.728 -15.776 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.716 -11.695 -17.175 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.315 -9.818 -17.878 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.997 -9.055 -16.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.988 -10.404 -16.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.808 -11.047 -15.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.117 -11.787 -16.709 1.00 0.00 H new ATOM 307 N MET A 49 9.017 -8.116 -17.677 1.00 0.00 N ATOM 308 CA MET A 49 7.653 -8.498 -18.024 1.00 0.00 C ATOM 309 C MET A 49 7.123 -7.686 -19.214 1.00 0.00 C ATOM 310 O MET A 49 6.540 -8.245 -20.139 1.00 0.00 O ATOM 311 CB MET A 49 6.763 -8.248 -16.803 1.00 0.00 C ATOM 312 CG MET A 49 6.512 -9.493 -15.952 1.00 0.00 C ATOM 313 SD MET A 49 4.965 -9.410 -15.010 1.00 0.00 S ATOM 314 CE MET A 49 5.197 -7.838 -14.137 1.00 0.00 C ATOM 0 H MET A 49 9.079 -7.645 -16.775 1.00 0.00 H new ATOM 0 HA MET A 49 7.643 -9.550 -18.311 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.225 -7.482 -16.180 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.805 -7.851 -17.139 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.490 -10.370 -16.599 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.344 -9.628 -15.261 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.389 -7.698 -13.418 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.152 -7.851 -13.612 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.189 -7.018 -14.855 1.00 0.00 H new ATOM 324 N ALA A 50 7.336 -6.369 -19.206 1.00 0.00 N ATOM 325 CA ALA A 50 6.847 -5.442 -20.220 1.00 0.00 C ATOM 326 C ALA A 50 7.380 -5.722 -21.626 1.00 0.00 C ATOM 327 O ALA A 50 6.667 -5.462 -22.590 1.00 0.00 O ATOM 328 CB ALA A 50 7.138 -4.017 -19.749 1.00 0.00 C ATOM 0 H ALA A 50 7.870 -5.907 -18.470 1.00 0.00 H new ATOM 0 HA ALA A 50 5.771 -5.582 -20.324 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.780 -3.307 -20.494 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.630 -3.836 -18.802 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.212 -3.890 -19.615 1.00 0.00 H new ATOM 334 N ASN A 51 8.553 -6.338 -21.777 1.00 0.00 N ATOM 335 CA ASN A 51 9.037 -6.833 -23.066 1.00 0.00 C ATOM 336 C ASN A 51 8.108 -7.892 -23.705 1.00 0.00 C ATOM 337 O ASN A 51 8.038 -7.978 -24.929 1.00 0.00 O ATOM 338 CB ASN A 51 10.468 -7.342 -22.867 1.00 0.00 C ATOM 339 CG ASN A 51 11.099 -7.830 -24.162 1.00 0.00 C ATOM 340 OD1 ASN A 51 11.365 -7.065 -25.079 1.00 0.00 O ATOM 341 ND2 ASN A 51 11.370 -9.111 -24.282 1.00 0.00 N ATOM 0 H ASN A 51 9.197 -6.508 -21.005 1.00 0.00 H new ATOM 0 HA ASN A 51 9.034 -6.015 -23.787 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.079 -6.543 -22.448 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.463 -8.154 -22.140 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.800 -9.463 -25.137 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.150 -9.752 -23.520 1.00 0.00 H new ATOM 348 N GLU A 52 7.333 -8.644 -22.913 1.00 0.00 N ATOM 349 CA GLU A 52 6.292 -9.557 -23.406 1.00 0.00 C ATOM 350 C GLU A 52 5.056 -8.810 -23.956 1.00 0.00 C ATOM 351 O GLU A 52 4.417 -9.261 -24.908 1.00 0.00 O ATOM 352 CB GLU A 52 5.901 -10.550 -22.297 1.00 0.00 C ATOM 353 CG GLU A 52 5.150 -11.772 -22.843 1.00 0.00 C ATOM 354 CD GLU A 52 4.894 -12.811 -21.733 1.00 0.00 C ATOM 355 OE1 GLU A 52 5.769 -13.681 -21.496 1.00 0.00 O ATOM 356 OE2 GLU A 52 3.809 -12.780 -21.101 1.00 0.00 O ATOM 0 H GLU A 52 7.412 -8.636 -21.896 1.00 0.00 H new ATOM 0 HA GLU A 52 6.708 -10.110 -24.248 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.800 -10.882 -21.777 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.277 -10.042 -21.562 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.200 -11.456 -23.275 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.729 -12.229 -23.646 1.00 0.00 H new ATOM 363 N GLU A 53 4.753 -7.627 -23.408 1.00 0.00 N ATOM 364 CA GLU A 53 3.811 -6.629 -23.948 1.00 0.00 C ATOM 365 C GLU A 53 4.426 -5.760 -25.069 1.00 0.00 C ATOM 366 O GLU A 53 3.749 -4.901 -25.635 1.00 0.00 O ATOM 367 CB GLU A 53 3.313 -5.742 -22.787 1.00 0.00 C ATOM 368 CG GLU A 53 1.923 -6.144 -22.278 1.00 0.00 C ATOM 369 CD GLU A 53 0.810 -5.633 -23.210 1.00 0.00 C ATOM 370 OE1 GLU A 53 0.348 -4.482 -23.013 1.00 0.00 O ATOM 371 OE2 GLU A 53 0.372 -6.382 -24.116 1.00 0.00 O ATOM 0 H GLU A 53 5.177 -7.321 -22.532 1.00 0.00 H new ATOM 0 HA GLU A 53 2.980 -7.165 -24.406 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.025 -5.797 -21.964 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.287 -4.703 -23.116 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.863 -7.230 -22.200 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.772 -5.743 -21.276 1.00 0.00 H new ATOM 378 N GLU A 54 5.698 -5.998 -25.407 1.00 0.00 N ATOM 379 CA GLU A 54 6.509 -5.275 -26.398 1.00 0.00 C ATOM 380 C GLU A 54 6.840 -3.832 -25.948 1.00 0.00 C ATOM 381 O GLU A 54 6.776 -2.874 -26.720 1.00 0.00 O ATOM 382 CB GLU A 54 5.890 -5.414 -27.805 1.00 0.00 C ATOM 383 CG GLU A 54 6.956 -5.343 -28.905 1.00 0.00 C ATOM 384 CD GLU A 54 6.318 -5.440 -30.304 1.00 0.00 C ATOM 385 OE1 GLU A 54 6.135 -6.573 -30.816 1.00 0.00 O ATOM 386 OE2 GLU A 54 6.003 -4.388 -30.912 1.00 0.00 O ATOM 0 H GLU A 54 6.226 -6.752 -24.967 1.00 0.00 H new ATOM 0 HA GLU A 54 7.492 -5.742 -26.469 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.357 -6.362 -27.876 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.156 -4.623 -27.959 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.510 -4.408 -28.819 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.674 -6.152 -28.773 1.00 0.00 H new ATOM 393 N GLU A 55 7.230 -3.711 -24.672 1.00 0.00 N ATOM 394 CA GLU A 55 7.601 -2.512 -23.900 1.00 0.00 C ATOM 395 C GLU A 55 6.414 -1.590 -23.559 1.00 0.00 C ATOM 396 O GLU A 55 5.826 -0.930 -24.420 1.00 0.00 O ATOM 397 CB GLU A 55 8.784 -1.782 -24.553 1.00 0.00 C ATOM 398 CG GLU A 55 9.470 -0.749 -23.649 1.00 0.00 C ATOM 399 CD GLU A 55 10.422 -1.420 -22.642 1.00 0.00 C ATOM 400 OE1 GLU A 55 9.928 -2.117 -21.726 1.00 0.00 O ATOM 401 OE2 GLU A 55 11.661 -1.252 -22.768 1.00 0.00 O ATOM 0 H GLU A 55 7.302 -4.544 -24.088 1.00 0.00 H new ATOM 0 HA GLU A 55 7.939 -2.860 -22.924 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.523 -2.520 -24.866 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.433 -1.281 -25.455 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.028 -0.042 -24.262 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.714 -0.177 -23.111 1.00 0.00 H new ATOM 408 N SER A 56 6.042 -1.569 -22.272 1.00 0.00 N ATOM 409 CA SER A 56 4.818 -0.942 -21.745 1.00 0.00 C ATOM 410 C SER A 56 4.960 -0.547 -20.260 1.00 0.00 C ATOM 411 O SER A 56 3.974 -0.481 -19.522 1.00 0.00 O ATOM 412 CB SER A 56 3.644 -1.915 -21.966 1.00 0.00 C ATOM 413 OG SER A 56 2.392 -1.249 -21.963 1.00 0.00 O ATOM 0 H SER A 56 6.605 -2.004 -21.541 1.00 0.00 H new ATOM 0 HA SER A 56 4.631 -0.011 -22.281 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.777 -2.433 -22.916 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.652 -2.675 -21.185 1.00 0.00 H new ATOM 0 HG SER A 56 1.674 -1.901 -22.108 1.00 0.00 H new ATOM 419 N VAL A 57 6.190 -0.344 -19.765 1.00 0.00 N ATOM 420 CA VAL A 57 6.464 -0.133 -18.327 1.00 0.00 C ATOM 421 C VAL A 57 5.665 1.075 -17.799 1.00 0.00 C ATOM 422 O VAL A 57 5.684 2.148 -18.406 1.00 0.00 O ATOM 423 CB VAL A 57 7.961 0.090 -18.003 1.00 0.00 C ATOM 424 CG1 VAL A 57 8.252 -0.320 -16.551 1.00 0.00 C ATOM 425 CG2 VAL A 57 8.915 -0.699 -18.901 1.00 0.00 C ATOM 0 H VAL A 57 7.027 -0.321 -20.347 1.00 0.00 H new ATOM 0 HA VAL A 57 6.155 -1.054 -17.834 1.00 0.00 H new ATOM 0 HB VAL A 57 8.137 1.152 -18.173 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.308 -0.160 -16.332 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.646 0.282 -15.874 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.009 -1.374 -16.415 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.945 -0.489 -18.611 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.718 -1.766 -18.793 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.763 -0.405 -19.940 1.00 0.00 H new ATOM 435 N GLY A 58 4.929 0.905 -16.697 1.00 0.00 N ATOM 436 CA GLY A 58 4.044 1.929 -16.114 1.00 0.00 C ATOM 437 C GLY A 58 2.574 1.760 -16.514 1.00 0.00 C ATOM 438 O GLY A 58 1.683 1.877 -15.673 1.00 0.00 O ATOM 0 H GLY A 58 4.929 0.032 -16.170 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.124 1.892 -15.028 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.387 2.916 -16.426 1.00 0.00 H new ATOM 442 N SER A 59 2.307 1.401 -17.773 1.00 0.00 N ATOM 443 CA SER A 59 0.999 0.913 -18.219 1.00 0.00 C ATOM 444 C SER A 59 0.772 -0.531 -17.771 1.00 0.00 C ATOM 445 O SER A 59 -0.294 -0.840 -17.242 1.00 0.00 O ATOM 446 CB SER A 59 0.906 1.002 -19.739 1.00 0.00 C ATOM 447 OG SER A 59 0.784 2.354 -20.156 1.00 0.00 O ATOM 0 H SER A 59 3.001 1.442 -18.520 1.00 0.00 H new ATOM 0 HA SER A 59 0.228 1.538 -17.768 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.793 0.556 -20.189 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.048 0.429 -20.090 1.00 0.00 H new ATOM 0 HG SER A 59 0.727 2.391 -21.134 1.00 0.00 H new ATOM 453 N TYR A 60 1.787 -1.397 -17.894 1.00 0.00 N ATOM 454 CA TYR A 60 1.767 -2.796 -17.441 1.00 0.00 C ATOM 455 C TYR A 60 1.371 -2.915 -15.963 1.00 0.00 C ATOM 456 O TYR A 60 0.528 -3.733 -15.603 1.00 0.00 O ATOM 457 CB TYR A 60 3.151 -3.419 -17.678 1.00 0.00 C ATOM 458 CG TYR A 60 3.153 -4.935 -17.756 1.00 0.00 C ATOM 459 CD1 TYR A 60 2.895 -5.718 -16.616 1.00 0.00 C ATOM 460 CD2 TYR A 60 3.410 -5.567 -18.987 1.00 0.00 C ATOM 461 CE1 TYR A 60 2.886 -7.121 -16.705 1.00 0.00 C ATOM 462 CE2 TYR A 60 3.410 -6.972 -19.083 1.00 0.00 C ATOM 463 CZ TYR A 60 3.137 -7.755 -17.942 1.00 0.00 C ATOM 464 OH TYR A 60 3.114 -9.114 -18.028 1.00 0.00 O ATOM 0 H TYR A 60 2.674 -1.135 -18.325 1.00 0.00 H new ATOM 0 HA TYR A 60 1.013 -3.334 -18.016 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.562 -3.019 -18.605 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.818 -3.108 -16.874 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.703 -5.239 -15.667 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.609 -4.970 -19.865 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.687 -7.715 -15.826 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.619 -7.449 -20.029 1.00 0.00 H new ATOM 0 HH TYR A 60 3.591 -9.498 -17.263 1.00 0.00 H new ATOM 474 N ILE A 61 1.940 -2.040 -15.126 1.00 0.00 N ATOM 475 CA ILE A 61 1.588 -1.850 -13.706 1.00 0.00 C ATOM 476 C ILE A 61 0.087 -1.737 -13.551 1.00 0.00 C ATOM 477 O ILE A 61 -0.540 -2.535 -12.848 1.00 0.00 O ATOM 478 CB ILE A 61 2.271 -0.580 -13.127 1.00 0.00 C ATOM 479 CG1 ILE A 61 3.726 -0.915 -12.813 1.00 0.00 C ATOM 480 CG2 ILE A 61 1.573 -0.031 -11.866 1.00 0.00 C ATOM 481 CD1 ILE A 61 4.589 0.274 -12.398 1.00 0.00 C ATOM 0 H ILE A 61 2.689 -1.417 -15.428 1.00 0.00 H new ATOM 0 HA ILE A 61 1.945 -2.718 -13.152 1.00 0.00 H new ATOM 0 HB ILE A 61 2.200 0.206 -13.879 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.748 -1.656 -12.014 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.173 -1.380 -13.692 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.101 0.855 -11.514 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.543 0.232 -12.106 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.581 -0.792 -11.085 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.605 -0.066 -12.196 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.606 1.010 -13.202 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.174 0.729 -11.499 1.00 0.00 H new ATOM 493 N LYS A 62 -0.480 -0.731 -14.223 1.00 0.00 N ATOM 494 CA LYS A 62 -1.895 -0.439 -14.132 1.00 0.00 C ATOM 495 C LYS A 62 -2.688 -1.652 -14.604 1.00 0.00 C ATOM 496 O LYS A 62 -3.513 -2.140 -13.842 1.00 0.00 O ATOM 497 CB LYS A 62 -2.218 0.863 -14.894 1.00 0.00 C ATOM 498 CG LYS A 62 -3.205 1.741 -14.105 1.00 0.00 C ATOM 499 CD LYS A 62 -3.907 2.800 -14.969 1.00 0.00 C ATOM 500 CE LYS A 62 -2.925 3.747 -15.672 1.00 0.00 C ATOM 501 NZ LYS A 62 -3.649 4.813 -16.416 1.00 0.00 N ATOM 0 H LYS A 62 0.035 -0.104 -14.841 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.190 -0.256 -13.099 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.298 1.419 -15.075 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.642 0.621 -15.869 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.958 1.103 -13.643 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.670 2.239 -13.296 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.521 2.301 -15.718 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.581 3.384 -14.342 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.261 4.200 -14.936 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.298 3.180 -16.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.981 5.323 -17.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.395 4.384 -16.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.077 5.478 -15.741 1.00 0.00 H new ATOM 515 N ARG A 63 -2.383 -2.215 -15.784 1.00 0.00 N ATOM 516 CA ARG A 63 -3.045 -3.426 -16.317 1.00 0.00 C ATOM 517 C ARG A 63 -3.106 -4.540 -15.275 1.00 0.00 C ATOM 518 O ARG A 63 -4.163 -5.128 -15.083 1.00 0.00 O ATOM 519 CB ARG A 63 -2.376 -3.990 -17.586 1.00 0.00 C ATOM 520 CG ARG A 63 -2.319 -3.068 -18.815 1.00 0.00 C ATOM 521 CD ARG A 63 -2.286 -3.917 -20.100 1.00 0.00 C ATOM 522 NE ARG A 63 -1.505 -3.324 -21.202 1.00 0.00 N ATOM 523 CZ ARG A 63 -1.673 -2.203 -21.871 1.00 0.00 C ATOM 524 NH1 ARG A 63 -2.585 -1.320 -21.576 1.00 0.00 N ATOM 525 NH2 ARG A 63 -0.895 -1.977 -22.885 1.00 0.00 N ATOM 0 H ARG A 63 -1.664 -1.842 -16.404 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.050 -3.095 -16.579 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.356 -4.278 -17.331 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.903 -4.901 -17.870 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.186 -2.407 -18.826 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.435 -2.433 -18.764 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.871 -4.897 -19.863 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.309 -4.078 -20.441 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.699 -3.876 -21.495 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.215 -1.481 -20.790 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.669 -0.468 -22.131 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.181 -2.658 -23.141 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.998 -1.118 -23.425 1.00 0.00 H new ATOM 539 N TYR A 64 -2.000 -4.809 -14.579 1.00 0.00 N ATOM 540 CA TYR A 64 -1.900 -5.915 -13.627 1.00 0.00 C ATOM 541 C TYR A 64 -2.764 -5.695 -12.379 1.00 0.00 C ATOM 542 O TYR A 64 -3.451 -6.597 -11.902 1.00 0.00 O ATOM 543 CB TYR A 64 -0.430 -6.138 -13.253 1.00 0.00 C ATOM 544 CG TYR A 64 -0.135 -7.615 -13.074 1.00 0.00 C ATOM 545 CD1 TYR A 64 -0.442 -8.258 -11.857 1.00 0.00 C ATOM 546 CD2 TYR A 64 0.326 -8.370 -14.169 1.00 0.00 C ATOM 547 CE1 TYR A 64 -0.291 -9.653 -11.741 1.00 0.00 C ATOM 548 CE2 TYR A 64 0.500 -9.764 -14.050 1.00 0.00 C ATOM 549 CZ TYR A 64 0.183 -10.410 -12.835 1.00 0.00 C ATOM 550 OH TYR A 64 0.318 -11.760 -12.714 1.00 0.00 O ATOM 0 H TYR A 64 -1.143 -4.262 -14.661 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.289 -6.811 -14.110 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.214 -5.726 -14.030 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.200 -5.603 -12.332 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.793 -7.681 -11.014 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.548 -7.879 -15.105 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.538 -10.146 -10.812 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.875 -10.336 -14.886 1.00 0.00 H new ATOM 0 HH TYR A 64 0.654 -12.132 -13.556 1.00 0.00 H new ATOM 560 N ILE A 65 -2.763 -4.462 -11.884 1.00 0.00 N ATOM 561 CA ILE A 65 -3.569 -3.994 -10.749 1.00 0.00 C ATOM 562 C ILE A 65 -5.056 -3.943 -11.105 1.00 0.00 C ATOM 563 O ILE A 65 -5.902 -4.344 -10.310 1.00 0.00 O ATOM 564 CB ILE A 65 -3.016 -2.637 -10.256 1.00 0.00 C ATOM 565 CG1 ILE A 65 -1.638 -2.831 -9.585 1.00 0.00 C ATOM 566 CG2 ILE A 65 -3.960 -1.873 -9.312 1.00 0.00 C ATOM 567 CD1 ILE A 65 -1.712 -3.505 -8.208 1.00 0.00 C ATOM 0 H ILE A 65 -2.177 -3.725 -12.276 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.490 -4.704 -9.926 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.919 -2.018 -11.148 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.006 -3.431 -10.240 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.155 -1.859 -9.479 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.495 -0.933 -9.014 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.899 -1.666 -9.825 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.156 -2.477 -8.426 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.707 -3.608 -7.799 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.317 -2.895 -7.537 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.165 -4.491 -8.310 1.00 0.00 H new ATOM 579 N LEU A 66 -5.389 -3.537 -12.329 1.00 0.00 N ATOM 580 CA LEU A 66 -6.760 -3.479 -12.835 1.00 0.00 C ATOM 581 C LEU A 66 -7.305 -4.896 -13.065 1.00 0.00 C ATOM 582 O LEU A 66 -8.469 -5.170 -12.771 1.00 0.00 O ATOM 583 CB LEU A 66 -6.765 -2.616 -14.110 1.00 0.00 C ATOM 584 CG LEU A 66 -6.798 -1.084 -13.885 1.00 0.00 C ATOM 585 CD1 LEU A 66 -6.203 -0.547 -12.577 1.00 0.00 C ATOM 586 CD2 LEU A 66 -6.054 -0.367 -15.013 1.00 0.00 C ATOM 0 H LEU A 66 -4.697 -3.232 -13.013 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.427 -3.016 -12.107 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.878 -2.860 -14.695 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.630 -2.895 -14.712 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.868 -0.880 -13.849 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.294 0.539 -12.555 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.741 -0.974 -11.730 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.151 -0.824 -12.515 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.085 0.709 -14.843 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.017 -0.701 -15.035 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.530 -0.597 -15.966 1.00 0.00 H new ATOM 598 N LYS A 67 -6.441 -5.822 -13.498 1.00 0.00 N ATOM 599 CA LYS A 67 -6.718 -7.257 -13.615 1.00 0.00 C ATOM 600 C LYS A 67 -6.949 -7.919 -12.252 1.00 0.00 C ATOM 601 O LYS A 67 -7.885 -8.701 -12.101 1.00 0.00 O ATOM 602 CB LYS A 67 -5.571 -7.909 -14.404 1.00 0.00 C ATOM 603 CG LYS A 67 -5.882 -9.355 -14.810 1.00 0.00 C ATOM 604 CD LYS A 67 -4.842 -9.869 -15.818 1.00 0.00 C ATOM 605 CE LYS A 67 -5.197 -11.247 -16.395 1.00 0.00 C ATOM 606 NZ LYS A 67 -5.072 -12.338 -15.392 1.00 0.00 N ATOM 0 H LYS A 67 -5.493 -5.582 -13.788 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.652 -7.403 -14.158 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.369 -7.320 -15.299 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.664 -7.892 -13.800 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.887 -9.994 -13.927 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.879 -9.409 -15.248 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.750 -9.152 -16.634 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.868 -9.925 -15.331 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.218 -11.225 -16.776 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.545 -11.461 -17.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.323 -13.246 -15.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.092 -12.380 -15.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.713 -12.152 -14.595 1.00 0.00 H new ATOM 620 N ALA A 68 -6.149 -7.560 -11.247 1.00 0.00 N ATOM 621 CA ALA A 68 -6.322 -7.969 -9.851 1.00 0.00 C ATOM 622 C ALA A 68 -7.648 -7.471 -9.254 1.00 0.00 C ATOM 623 O ALA A 68 -8.329 -8.219 -8.556 1.00 0.00 O ATOM 624 CB ALA A 68 -5.128 -7.474 -9.032 1.00 0.00 C ATOM 0 H ALA A 68 -5.337 -6.958 -11.386 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.364 -9.058 -9.817 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.251 -7.775 -7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.210 -7.907 -9.429 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.072 -6.387 -9.091 1.00 0.00 H new ATOM 630 N LEU A 69 -8.056 -6.236 -9.565 1.00 0.00 N ATOM 631 CA LEU A 69 -9.239 -5.574 -9.010 1.00 0.00 C ATOM 632 C LEU A 69 -10.548 -6.293 -9.361 1.00 0.00 C ATOM 633 O LEU A 69 -11.515 -6.222 -8.600 1.00 0.00 O ATOM 634 CB LEU A 69 -9.266 -4.111 -9.499 1.00 0.00 C ATOM 635 CG LEU A 69 -9.097 -3.069 -8.381 1.00 0.00 C ATOM 636 CD1 LEU A 69 -7.644 -2.928 -7.930 1.00 0.00 C ATOM 637 CD2 LEU A 69 -9.540 -1.700 -8.892 1.00 0.00 C ATOM 0 H LEU A 69 -7.554 -5.651 -10.233 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.165 -5.607 -7.923 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.473 -3.971 -10.234 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.211 -3.928 -10.011 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.701 -3.410 -7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.579 -2.180 -7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.285 -3.886 -7.554 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.029 -2.617 -8.775 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.421 -0.960 -8.100 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.929 -1.416 -9.749 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.587 -1.745 -9.192 1.00 0.00 H new ATOM 649 N ARG A 70 -10.556 -7.040 -10.473 1.00 0.00 N ATOM 650 CA ARG A 70 -11.647 -7.936 -10.877 1.00 0.00 C ATOM 651 C ARG A 70 -11.969 -9.003 -9.820 1.00 0.00 C ATOM 652 O ARG A 70 -13.132 -9.385 -9.676 1.00 0.00 O ATOM 653 CB ARG A 70 -11.341 -8.612 -12.226 1.00 0.00 C ATOM 654 CG ARG A 70 -11.181 -7.613 -13.382 1.00 0.00 C ATOM 655 CD ARG A 70 -10.944 -8.347 -14.706 1.00 0.00 C ATOM 656 NE ARG A 70 -10.821 -7.399 -15.830 1.00 0.00 N ATOM 657 CZ ARG A 70 -10.789 -7.689 -17.120 1.00 0.00 C ATOM 658 NH1 ARG A 70 -10.838 -8.916 -17.555 1.00 0.00 N ATOM 659 NH2 ARG A 70 -10.708 -6.741 -18.008 1.00 0.00 N ATOM 0 H ARG A 70 -9.781 -7.037 -11.136 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.529 -7.305 -10.982 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.427 -9.198 -12.132 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -12.144 -9.309 -12.466 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.074 -6.993 -13.459 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.345 -6.944 -13.177 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.038 -8.948 -14.634 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.768 -9.034 -14.896 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.753 -6.411 -15.585 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.903 -9.689 -16.893 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.811 -9.103 -18.557 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.669 -5.766 -17.711 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.684 -6.973 -19.001 1.00 0.00 H new ATOM 673 N LYS A 71 -10.948 -9.480 -9.091 1.00 0.00 N ATOM 674 CA LYS A 71 -11.026 -10.527 -8.055 1.00 0.00 C ATOM 675 C LYS A 71 -9.871 -10.455 -7.034 1.00 0.00 C ATOM 676 O LYS A 71 -9.040 -11.361 -6.943 1.00 0.00 O ATOM 677 CB LYS A 71 -11.186 -11.917 -8.716 1.00 0.00 C ATOM 678 CG LYS A 71 -10.137 -12.267 -9.789 1.00 0.00 C ATOM 679 CD LYS A 71 -10.388 -13.680 -10.339 1.00 0.00 C ATOM 680 CE LYS A 71 -9.375 -14.082 -11.422 1.00 0.00 C ATOM 681 NZ LYS A 71 -8.018 -14.329 -10.863 1.00 0.00 N ATOM 0 H LYS A 71 -9.998 -9.130 -9.213 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.919 -10.346 -7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.149 -12.677 -7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.176 -11.973 -9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.180 -11.540 -10.600 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.136 -12.208 -9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.343 -14.398 -9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.395 -13.731 -10.752 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.726 -14.981 -11.929 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.318 -13.294 -12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.370 -14.597 -11.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.670 -13.464 -10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.065 -15.099 -10.165 1.00 0.00 H new ATOM 695 N ILE A 72 -9.847 -9.387 -6.227 1.00 0.00 N ATOM 696 CA ILE A 72 -8.951 -9.237 -5.058 1.00 0.00 C ATOM 697 C ILE A 72 -9.032 -10.435 -4.085 1.00 0.00 C ATOM 698 O ILE A 72 -8.008 -10.880 -3.561 1.00 0.00 O ATOM 699 CB ILE A 72 -9.254 -7.910 -4.326 1.00 0.00 C ATOM 700 CG1 ILE A 72 -9.022 -6.684 -5.234 1.00 0.00 C ATOM 701 CG2 ILE A 72 -8.458 -7.747 -3.017 1.00 0.00 C ATOM 702 CD1 ILE A 72 -7.571 -6.459 -5.685 1.00 0.00 C ATOM 0 H ILE A 72 -10.460 -8.583 -6.365 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.928 -9.216 -5.434 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.311 -7.961 -4.066 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.648 -6.787 -6.121 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.362 -5.793 -4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.715 -6.796 -2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.705 -8.563 -2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.390 -7.767 -3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.520 -5.573 -6.318 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.936 -6.318 -4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.226 -7.327 -6.247 1.00 0.00 H new ATOM 714 N GLU A 73 -10.242 -10.959 -3.842 1.00 0.00 N ATOM 715 CA GLU A 73 -10.531 -12.114 -2.963 1.00 0.00 C ATOM 716 C GLU A 73 -9.822 -13.420 -3.389 1.00 0.00 C ATOM 717 O GLU A 73 -9.069 -13.983 -2.561 1.00 0.00 O ATOM 718 CB GLU A 73 -12.057 -12.301 -2.864 1.00 0.00 C ATOM 719 CG GLU A 73 -12.462 -13.363 -1.828 1.00 0.00 C ATOM 720 CD GLU A 73 -13.999 -13.483 -1.714 1.00 0.00 C ATOM 721 OE1 GLU A 73 -14.613 -14.296 -2.451 1.00 0.00 O ATOM 722 OE2 GLU A 73 -14.613 -12.773 -0.876 1.00 0.00 O ATOM 0 H GLU A 73 -11.086 -10.577 -4.269 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.120 -11.887 -1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.519 -11.349 -2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.448 -12.586 -3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.040 -14.328 -2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.043 -13.104 -0.856 1.00 0.00 H new TER 729 GLU A 73 ATOM 730 N THR B 31 16.729 6.888 -6.345 1.00 0.00 N ATOM 731 CA THR B 31 15.599 5.953 -6.506 1.00 0.00 C ATOM 732 C THR B 31 14.920 6.108 -7.875 1.00 0.00 C ATOM 733 O THR B 31 15.261 7.004 -8.655 1.00 0.00 O ATOM 734 CB THR B 31 14.616 6.143 -5.339 1.00 0.00 C ATOM 735 OG1 THR B 31 13.640 5.131 -5.332 1.00 0.00 O ATOM 736 CG2 THR B 31 13.909 7.501 -5.316 1.00 0.00 C ATOM 0 HA THR B 31 15.975 4.930 -6.478 1.00 0.00 H new ATOM 0 HB THR B 31 15.240 6.090 -4.447 1.00 0.00 H new ATOM 0 HG1 THR B 31 13.128 5.177 -4.498 1.00 0.00 H new ATOM 0 HG21 THR B 31 13.236 7.546 -4.460 1.00 0.00 H new ATOM 0 HG22 THR B 31 14.651 8.296 -5.237 1.00 0.00 H new ATOM 0 HG23 THR B 31 13.337 7.629 -6.235 1.00 0.00 H new ATOM 744 N ARG B 32 13.971 5.220 -8.182 1.00 0.00 N ATOM 745 CA ARG B 32 13.135 5.242 -9.399 1.00 0.00 C ATOM 746 C ARG B 32 11.934 6.185 -9.235 1.00 0.00 C ATOM 747 O ARG B 32 11.646 6.668 -8.141 1.00 0.00 O ATOM 748 CB ARG B 32 12.677 3.806 -9.740 1.00 0.00 C ATOM 749 CG ARG B 32 13.832 2.865 -10.132 1.00 0.00 C ATOM 750 CD ARG B 32 14.317 3.135 -11.563 1.00 0.00 C ATOM 751 NE ARG B 32 15.493 2.316 -11.902 1.00 0.00 N ATOM 752 CZ ARG B 32 15.832 1.817 -13.076 1.00 0.00 C ATOM 753 NH1 ARG B 32 15.070 1.891 -14.130 1.00 0.00 N ATOM 754 NH2 ARG B 32 16.983 1.229 -13.193 1.00 0.00 N ATOM 0 H ARG B 32 13.751 4.434 -7.571 1.00 0.00 H new ATOM 0 HA ARG B 32 13.732 5.626 -10.226 1.00 0.00 H new ATOM 0 HB2 ARG B 32 12.154 3.387 -8.880 1.00 0.00 H new ATOM 0 HB3 ARG B 32 11.960 3.848 -10.560 1.00 0.00 H new ATOM 0 HG2 ARG B 32 14.660 2.994 -9.436 1.00 0.00 H new ATOM 0 HG3 ARG B 32 13.503 1.829 -10.047 1.00 0.00 H new ATOM 0 HD2 ARG B 32 13.511 2.924 -12.266 1.00 0.00 H new ATOM 0 HD3 ARG B 32 14.565 4.191 -11.670 1.00 0.00 H new ATOM 0 HE ARG B 32 16.127 2.108 -11.131 1.00 0.00 H new ATOM 0 HH11 ARG B 32 14.162 2.352 -14.072 1.00 0.00 H new ATOM 0 HH12 ARG B 32 15.381 1.488 -15.014 1.00 0.00 H new ATOM 0 HH21 ARG B 32 17.605 1.160 -12.387 1.00 0.00 H new ATOM 0 HH22 ARG B 32 17.266 0.836 -14.091 1.00 0.00 H new ATOM 768 N ALA B 33 11.217 6.412 -10.331 1.00 0.00 N ATOM 769 CA ALA B 33 9.987 7.202 -10.402 1.00 0.00 C ATOM 770 C ALA B 33 8.898 6.411 -11.149 1.00 0.00 C ATOM 771 O ALA B 33 9.050 6.083 -12.328 1.00 0.00 O ATOM 772 CB ALA B 33 10.297 8.552 -11.059 1.00 0.00 C ATOM 0 H ALA B 33 11.489 6.033 -11.238 1.00 0.00 H new ATOM 0 HA ALA B 33 9.600 7.402 -9.403 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.385 9.147 -11.116 1.00 0.00 H new ATOM 0 HB2 ALA B 33 11.041 9.083 -10.465 1.00 0.00 H new ATOM 0 HB3 ALA B 33 10.686 8.387 -12.064 1.00 0.00 H new ATOM 778 N VAL B 34 7.817 6.071 -10.444 1.00 0.00 N ATOM 779 CA VAL B 34 6.717 5.213 -10.902 1.00 0.00 C ATOM 780 C VAL B 34 5.403 5.950 -10.685 1.00 0.00 C ATOM 781 O VAL B 34 4.803 5.889 -9.614 1.00 0.00 O ATOM 782 CB VAL B 34 6.753 3.839 -10.210 1.00 0.00 C ATOM 783 CG1 VAL B 34 5.598 2.950 -10.677 1.00 0.00 C ATOM 784 CG2 VAL B 34 8.061 3.107 -10.548 1.00 0.00 C ATOM 0 H VAL B 34 7.676 6.402 -9.490 1.00 0.00 H new ATOM 0 HA VAL B 34 6.824 5.006 -11.967 1.00 0.00 H new ATOM 0 HB VAL B 34 6.672 4.020 -9.138 1.00 0.00 H new ATOM 0 HG11 VAL B 34 5.652 1.987 -10.170 1.00 0.00 H new ATOM 0 HG12 VAL B 34 4.649 3.432 -10.441 1.00 0.00 H new ATOM 0 HG13 VAL B 34 5.669 2.797 -11.754 1.00 0.00 H new ATOM 0 HG21 VAL B 34 8.073 2.136 -10.052 1.00 0.00 H new ATOM 0 HG22 VAL B 34 8.130 2.964 -11.626 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.909 3.700 -10.206 1.00 0.00 H new ATOM 794 N SER B 35 4.997 6.699 -11.705 1.00 0.00 N ATOM 795 CA SER B 35 3.885 7.652 -11.660 1.00 0.00 C ATOM 796 C SER B 35 2.698 7.160 -12.477 1.00 0.00 C ATOM 797 O SER B 35 2.814 6.877 -13.673 1.00 0.00 O ATOM 798 CB SER B 35 4.341 9.041 -12.097 1.00 0.00 C ATOM 799 OG SER B 35 3.305 9.982 -11.867 1.00 0.00 O ATOM 0 H SER B 35 5.447 6.660 -12.620 1.00 0.00 H new ATOM 0 HA SER B 35 3.548 7.729 -10.626 1.00 0.00 H new ATOM 0 HB2 SER B 35 5.236 9.330 -11.546 1.00 0.00 H new ATOM 0 HB3 SER B 35 4.607 9.031 -13.154 1.00 0.00 H new ATOM 0 HG SER B 35 3.603 10.872 -12.148 1.00 0.00 H new ATOM 805 N LEU B 36 1.566 7.008 -11.794 1.00 0.00 N ATOM 806 CA LEU B 36 0.355 6.345 -12.265 1.00 0.00 C ATOM 807 C LEU B 36 -0.818 7.332 -12.285 1.00 0.00 C ATOM 808 O LEU B 36 -0.812 8.346 -11.586 1.00 0.00 O ATOM 809 CB LEU B 36 0.050 5.144 -11.345 1.00 0.00 C ATOM 810 CG LEU B 36 1.223 4.170 -11.103 1.00 0.00 C ATOM 811 CD1 LEU B 36 0.794 3.096 -10.102 1.00 0.00 C ATOM 812 CD2 LEU B 36 1.687 3.493 -12.393 1.00 0.00 C ATOM 0 H LEU B 36 1.465 7.365 -10.844 1.00 0.00 H new ATOM 0 HA LEU B 36 0.504 5.985 -13.283 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.286 5.525 -10.381 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -0.781 4.584 -11.774 1.00 0.00 H new ATOM 0 HG LEU B 36 2.057 4.752 -10.711 1.00 0.00 H new ATOM 0 HD11 LEU B 36 1.621 2.407 -9.930 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.513 3.568 -9.160 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -0.058 2.546 -10.501 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.513 2.817 -12.172 1.00 0.00 H new ATOM 0 HD22 LEU B 36 0.861 2.927 -12.824 1.00 0.00 H new ATOM 0 HD23 LEU B 36 2.018 4.251 -13.103 1.00 0.00 H new ATOM 824 N TYR B 37 -1.841 7.004 -13.072 1.00 0.00 N ATOM 825 CA TYR B 37 -3.033 7.823 -13.290 1.00 0.00 C ATOM 826 C TYR B 37 -4.283 6.939 -13.271 1.00 0.00 C ATOM 827 O TYR B 37 -4.705 6.406 -14.301 1.00 0.00 O ATOM 828 CB TYR B 37 -2.877 8.616 -14.596 1.00 0.00 C ATOM 829 CG TYR B 37 -1.944 9.807 -14.472 1.00 0.00 C ATOM 830 CD1 TYR B 37 -2.431 11.018 -13.947 1.00 0.00 C ATOM 831 CD2 TYR B 37 -0.593 9.705 -14.862 1.00 0.00 C ATOM 832 CE1 TYR B 37 -1.583 12.132 -13.827 1.00 0.00 C ATOM 833 CE2 TYR B 37 0.266 10.815 -14.729 1.00 0.00 C ATOM 834 CZ TYR B 37 -0.229 12.034 -14.212 1.00 0.00 C ATOM 835 OH TYR B 37 0.588 13.117 -14.088 1.00 0.00 O ATOM 0 H TYR B 37 -1.864 6.128 -13.595 1.00 0.00 H new ATOM 0 HA TYR B 37 -3.150 8.549 -12.485 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -2.503 7.950 -15.374 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -3.858 8.965 -14.920 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -3.462 11.092 -13.635 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -0.216 8.776 -15.263 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -1.968 13.064 -13.440 1.00 0.00 H new ATOM 0 HE2 TYR B 37 1.302 10.734 -15.022 1.00 0.00 H new ATOM 0 HH TYR B 37 1.489 12.884 -14.395 1.00 0.00 H new ATOM 845 N PHE B 38 -4.838 6.734 -12.080 1.00 0.00 N ATOM 846 CA PHE B 38 -6.086 6.031 -11.840 1.00 0.00 C ATOM 847 C PHE B 38 -7.314 6.916 -12.118 1.00 0.00 C ATOM 848 O PHE B 38 -7.214 8.137 -12.285 1.00 0.00 O ATOM 849 CB PHE B 38 -6.059 5.594 -10.370 1.00 0.00 C ATOM 850 CG PHE B 38 -5.200 4.381 -10.072 1.00 0.00 C ATOM 851 CD1 PHE B 38 -5.537 3.126 -10.616 1.00 0.00 C ATOM 852 CD2 PHE B 38 -4.103 4.484 -9.199 1.00 0.00 C ATOM 853 CE1 PHE B 38 -4.813 1.975 -10.255 1.00 0.00 C ATOM 854 CE2 PHE B 38 -3.358 3.336 -8.877 1.00 0.00 C ATOM 855 CZ PHE B 38 -3.702 2.085 -9.408 1.00 0.00 C ATOM 0 H PHE B 38 -4.407 7.071 -11.219 1.00 0.00 H new ATOM 0 HA PHE B 38 -6.173 5.179 -12.514 1.00 0.00 H new ATOM 0 HB2 PHE B 38 -5.703 6.429 -9.766 1.00 0.00 H new ATOM 0 HB3 PHE B 38 -7.080 5.383 -10.052 1.00 0.00 H new ATOM 0 HD1 PHE B 38 -6.357 3.047 -11.315 1.00 0.00 H new ATOM 0 HD2 PHE B 38 -3.834 5.441 -8.777 1.00 0.00 H new ATOM 0 HE1 PHE B 38 -5.113 1.008 -10.630 1.00 0.00 H new ATOM 0 HE2 PHE B 38 -2.511 3.419 -8.213 1.00 0.00 H new ATOM 0 HZ PHE B 38 -3.115 1.212 -9.166 1.00 0.00 H new ATOM 865 N SER B 39 -8.490 6.288 -12.088 1.00 0.00 N ATOM 866 CA SER B 39 -9.798 6.948 -12.001 1.00 0.00 C ATOM 867 C SER B 39 -10.581 6.457 -10.784 1.00 0.00 C ATOM 868 O SER B 39 -10.148 5.534 -10.092 1.00 0.00 O ATOM 869 CB SER B 39 -10.595 6.755 -13.303 1.00 0.00 C ATOM 870 OG SER B 39 -9.924 7.344 -14.404 1.00 0.00 O ATOM 0 H SER B 39 -8.563 5.271 -12.125 1.00 0.00 H new ATOM 0 HA SER B 39 -9.632 8.017 -11.871 1.00 0.00 H new ATOM 0 HB2 SER B 39 -10.741 5.691 -13.489 1.00 0.00 H new ATOM 0 HB3 SER B 39 -11.585 7.199 -13.196 1.00 0.00 H new ATOM 0 HG SER B 39 -10.450 7.206 -15.219 1.00 0.00 H new ATOM 876 N ASP B 40 -11.717 7.099 -10.505 1.00 0.00 N ATOM 877 CA ASP B 40 -12.463 6.991 -9.246 1.00 0.00 C ATOM 878 C ASP B 40 -12.697 5.544 -8.789 1.00 0.00 C ATOM 879 O ASP B 40 -12.309 5.196 -7.679 1.00 0.00 O ATOM 880 CB ASP B 40 -13.778 7.774 -9.364 1.00 0.00 C ATOM 881 CG ASP B 40 -13.531 9.288 -9.460 1.00 0.00 C ATOM 882 OD1 ASP B 40 -12.826 9.844 -8.583 1.00 0.00 O ATOM 883 OD2 ASP B 40 -14.028 9.921 -10.422 1.00 0.00 O ATOM 0 H ASP B 40 -12.160 7.731 -11.172 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.847 7.432 -8.462 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -14.324 7.438 -10.245 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -14.407 7.562 -8.499 1.00 0.00 H new ATOM 888 N GLU B 41 -13.252 4.676 -9.639 1.00 0.00 N ATOM 889 CA GLU B 41 -13.515 3.261 -9.324 1.00 0.00 C ATOM 890 C GLU B 41 -12.255 2.508 -8.869 1.00 0.00 C ATOM 891 O GLU B 41 -12.220 1.926 -7.782 1.00 0.00 O ATOM 892 CB GLU B 41 -14.108 2.575 -10.562 1.00 0.00 C ATOM 893 CG GLU B 41 -15.473 3.135 -10.971 1.00 0.00 C ATOM 894 CD GLU B 41 -16.634 2.361 -10.317 1.00 0.00 C ATOM 895 OE1 GLU B 41 -16.934 2.603 -9.122 1.00 0.00 O ATOM 896 OE2 GLU B 41 -17.260 1.508 -10.993 1.00 0.00 O ATOM 0 H GLU B 41 -13.538 4.937 -10.583 1.00 0.00 H new ATOM 0 HA GLU B 41 -14.218 3.234 -8.492 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -13.414 2.683 -11.396 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -14.206 1.507 -10.365 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -15.533 4.186 -10.688 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -15.573 3.090 -12.055 1.00 0.00 H new ATOM 903 N GLN B 42 -11.206 2.552 -9.696 1.00 0.00 N ATOM 904 CA GLN B 42 -9.892 1.952 -9.430 1.00 0.00 C ATOM 905 C GLN B 42 -9.271 2.477 -8.125 1.00 0.00 C ATOM 906 O GLN B 42 -8.768 1.691 -7.317 1.00 0.00 O ATOM 907 CB GLN B 42 -8.953 2.167 -10.626 1.00 0.00 C ATOM 908 CG GLN B 42 -9.250 1.278 -11.848 1.00 0.00 C ATOM 909 CD GLN B 42 -10.632 1.476 -12.468 1.00 0.00 C ATOM 910 OE1 GLN B 42 -11.533 0.663 -12.325 1.00 0.00 O ATOM 911 NE2 GLN B 42 -10.860 2.564 -13.173 1.00 0.00 N ATOM 0 H GLN B 42 -11.248 3.022 -10.600 1.00 0.00 H new ATOM 0 HA GLN B 42 -10.037 0.880 -9.296 1.00 0.00 H new ATOM 0 HB2 GLN B 42 -9.010 3.212 -10.932 1.00 0.00 H new ATOM 0 HB3 GLN B 42 -7.928 1.985 -10.303 1.00 0.00 H new ATOM 0 HG2 GLN B 42 -8.495 1.470 -12.610 1.00 0.00 H new ATOM 0 HG3 GLN B 42 -9.147 0.234 -11.553 1.00 0.00 H new ATOM 0 HE21 GLN B 42 -10.119 3.253 -13.302 1.00 0.00 H new ATOM 0 HE22 GLN B 42 -11.778 2.718 -13.590 1.00 0.00 H new ATOM 920 N TYR B 43 -9.337 3.791 -7.887 1.00 0.00 N ATOM 921 CA TYR B 43 -8.794 4.411 -6.679 1.00 0.00 C ATOM 922 C TYR B 43 -9.608 4.043 -5.430 1.00 0.00 C ATOM 923 O TYR B 43 -9.036 3.691 -4.402 1.00 0.00 O ATOM 924 CB TYR B 43 -8.724 5.930 -6.874 1.00 0.00 C ATOM 925 CG TYR B 43 -7.851 6.632 -5.850 1.00 0.00 C ATOM 926 CD1 TYR B 43 -6.448 6.558 -5.957 1.00 0.00 C ATOM 927 CD2 TYR B 43 -8.435 7.376 -4.805 1.00 0.00 C ATOM 928 CE1 TYR B 43 -5.632 7.232 -5.027 1.00 0.00 C ATOM 929 CE2 TYR B 43 -7.622 8.053 -3.877 1.00 0.00 C ATOM 930 CZ TYR B 43 -6.217 7.989 -3.988 1.00 0.00 C ATOM 931 OH TYR B 43 -5.437 8.668 -3.104 1.00 0.00 O ATOM 0 H TYR B 43 -9.770 4.454 -8.530 1.00 0.00 H new ATOM 0 HA TYR B 43 -7.788 4.026 -6.514 1.00 0.00 H new ATOM 0 HB2 TYR B 43 -8.342 6.143 -7.872 1.00 0.00 H new ATOM 0 HB3 TYR B 43 -9.732 6.342 -6.824 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -5.997 5.984 -6.753 1.00 0.00 H new ATOM 0 HD2 TYR B 43 -9.510 7.427 -4.716 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -4.557 7.170 -5.109 1.00 0.00 H new ATOM 0 HE2 TYR B 43 -8.074 8.622 -3.079 1.00 0.00 H new ATOM 0 HH TYR B 43 -6.006 9.135 -2.457 1.00 0.00 H new ATOM 941 N GLN B 44 -10.941 4.062 -5.519 1.00 0.00 N ATOM 942 CA GLN B 44 -11.862 3.720 -4.431 1.00 0.00 C ATOM 943 C GLN B 44 -11.718 2.258 -4.005 1.00 0.00 C ATOM 944 O GLN B 44 -11.708 1.983 -2.806 1.00 0.00 O ATOM 945 CB GLN B 44 -13.334 4.015 -4.788 1.00 0.00 C ATOM 946 CG GLN B 44 -13.855 5.375 -4.289 1.00 0.00 C ATOM 947 CD GLN B 44 -13.353 6.588 -5.069 1.00 0.00 C ATOM 948 OE1 GLN B 44 -14.043 7.149 -5.910 1.00 0.00 O ATOM 949 NE2 GLN B 44 -12.172 7.090 -4.784 1.00 0.00 N ATOM 0 H GLN B 44 -11.424 4.324 -6.378 1.00 0.00 H new ATOM 0 HA GLN B 44 -11.583 4.360 -3.594 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -13.447 3.973 -5.871 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -13.960 3.226 -4.372 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -14.944 5.365 -4.326 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -13.572 5.493 -3.243 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -11.581 6.638 -4.086 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -11.847 7.931 -5.261 1.00 0.00 H new ATOM 958 N LYS B 45 -11.562 1.317 -4.946 1.00 0.00 N ATOM 959 CA LYS B 45 -11.307 -0.088 -4.600 1.00 0.00 C ATOM 960 C LYS B 45 -9.995 -0.236 -3.824 1.00 0.00 C ATOM 961 O LYS B 45 -9.991 -0.881 -2.774 1.00 0.00 O ATOM 962 CB LYS B 45 -11.340 -0.995 -5.846 1.00 0.00 C ATOM 963 CG LYS B 45 -12.234 -2.235 -5.670 1.00 0.00 C ATOM 964 CD LYS B 45 -11.809 -3.166 -4.521 1.00 0.00 C ATOM 965 CE LYS B 45 -12.750 -4.377 -4.460 1.00 0.00 C ATOM 966 NZ LYS B 45 -12.521 -5.191 -3.236 1.00 0.00 N ATOM 0 H LYS B 45 -11.608 1.502 -5.948 1.00 0.00 H new ATOM 0 HA LYS B 45 -12.113 -0.419 -3.945 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.696 -0.417 -6.699 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -10.325 -1.317 -6.080 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -13.259 -1.907 -5.496 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.234 -2.803 -6.600 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -10.782 -3.499 -4.671 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -11.834 -2.626 -3.575 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -13.785 -4.035 -4.481 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -12.601 -4.998 -5.343 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -13.175 -6.000 -3.230 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -11.541 -5.538 -3.228 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -12.687 -4.605 -2.393 1.00 0.00 H new ATOM 980 N LEU B 46 -8.905 0.393 -4.288 1.00 0.00 N ATOM 981 CA LEU B 46 -7.625 0.302 -3.579 1.00 0.00 C ATOM 982 C LEU B 46 -7.622 1.077 -2.251 1.00 0.00 C ATOM 983 O LEU B 46 -6.932 0.693 -1.313 1.00 0.00 O ATOM 984 CB LEU B 46 -6.420 0.619 -4.498 1.00 0.00 C ATOM 985 CG LEU B 46 -5.646 -0.691 -4.748 1.00 0.00 C ATOM 986 CD1 LEU B 46 -4.583 -0.663 -5.851 1.00 0.00 C ATOM 987 CD2 LEU B 46 -4.881 -1.145 -3.501 1.00 0.00 C ATOM 0 H LEU B 46 -8.885 0.960 -5.136 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.499 -0.741 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -6.763 1.044 -5.441 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -5.771 1.361 -4.032 1.00 0.00 H new ATOM 0 HG LEU B 46 -6.454 -1.359 -5.047 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -4.112 -1.643 -5.927 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -5.052 -0.411 -6.802 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -3.828 0.085 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -4.349 -2.071 -3.718 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -4.166 -0.375 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -5.583 -1.313 -2.684 1.00 0.00 H new ATOM 999 N GLU B 47 -8.469 2.093 -2.115 1.00 0.00 N ATOM 1000 CA GLU B 47 -8.760 2.785 -0.853 1.00 0.00 C ATOM 1001 C GLU B 47 -9.546 1.922 0.145 1.00 0.00 C ATOM 1002 O GLU B 47 -9.176 1.855 1.322 1.00 0.00 O ATOM 1003 CB GLU B 47 -9.451 4.124 -1.147 1.00 0.00 C ATOM 1004 CG GLU B 47 -9.579 5.045 0.074 1.00 0.00 C ATOM 1005 CD GLU B 47 -11.048 5.207 0.513 1.00 0.00 C ATOM 1006 OE1 GLU B 47 -11.760 6.067 -0.060 1.00 0.00 O ATOM 1007 OE2 GLU B 47 -11.501 4.482 1.431 1.00 0.00 O ATOM 0 H GLU B 47 -8.992 2.474 -2.904 1.00 0.00 H new ATOM 0 HA GLU B 47 -7.811 2.985 -0.355 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -8.893 4.645 -1.925 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -10.446 3.927 -1.546 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -8.995 4.638 0.900 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -9.159 6.023 -0.162 1.00 0.00 H new ATOM 1014 N LYS B 48 -10.570 1.191 -0.312 1.00 0.00 N ATOM 1015 CA LYS B 48 -11.326 0.246 0.526 1.00 0.00 C ATOM 1016 C LYS B 48 -10.442 -0.880 1.071 1.00 0.00 C ATOM 1017 O LYS B 48 -10.612 -1.299 2.214 1.00 0.00 O ATOM 1018 CB LYS B 48 -12.546 -0.314 -0.224 1.00 0.00 C ATOM 1019 CG LYS B 48 -13.706 0.694 -0.238 1.00 0.00 C ATOM 1020 CD LYS B 48 -14.973 0.074 -0.842 1.00 0.00 C ATOM 1021 CE LYS B 48 -16.143 1.061 -0.732 1.00 0.00 C ATOM 1022 NZ LYS B 48 -17.417 0.458 -1.205 1.00 0.00 N ATOM 0 H LYS B 48 -10.900 1.237 -1.276 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.691 0.807 1.386 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -12.264 -0.561 -1.248 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.872 -1.240 0.249 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -13.911 1.030 0.778 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -13.419 1.574 -0.813 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -14.800 -0.183 -1.887 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -15.218 -0.853 -0.323 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -16.254 1.380 0.304 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -15.923 1.953 -1.318 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -18.185 1.154 -1.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -17.319 0.177 -2.201 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -17.640 -0.379 -0.629 1.00 0.00 H new ATOM 1036 N MET B 49 -9.461 -1.324 0.286 1.00 0.00 N ATOM 1037 CA MET B 49 -8.401 -2.235 0.683 1.00 0.00 C ATOM 1038 C MET B 49 -7.394 -1.574 1.638 1.00 0.00 C ATOM 1039 O MET B 49 -7.036 -2.155 2.658 1.00 0.00 O ATOM 1040 CB MET B 49 -7.717 -2.667 -0.608 1.00 0.00 C ATOM 1041 CG MET B 49 -8.579 -3.588 -1.481 1.00 0.00 C ATOM 1042 SD MET B 49 -8.022 -3.692 -3.204 1.00 0.00 S ATOM 1043 CE MET B 49 -6.322 -4.247 -2.938 1.00 0.00 C ATOM 0 H MET B 49 -9.385 -1.041 -0.691 1.00 0.00 H new ATOM 0 HA MET B 49 -8.812 -3.083 1.231 1.00 0.00 H new ATOM 0 HB2 MET B 49 -7.451 -1.780 -1.183 1.00 0.00 H new ATOM 0 HB3 MET B 49 -6.787 -3.179 -0.363 1.00 0.00 H new ATOM 0 HG2 MET B 49 -8.580 -4.588 -1.048 1.00 0.00 H new ATOM 0 HG3 MET B 49 -9.609 -3.232 -1.462 1.00 0.00 H new ATOM 0 HE1 MET B 49 -5.829 -4.382 -3.900 1.00 0.00 H new ATOM 0 HE2 MET B 49 -5.782 -3.500 -2.355 1.00 0.00 H new ATOM 0 HE3 MET B 49 -6.329 -5.194 -2.398 1.00 0.00 H new ATOM 1053 N ALA B 50 -6.972 -0.335 1.360 1.00 0.00 N ATOM 1054 CA ALA B 50 -6.039 0.429 2.192 1.00 0.00 C ATOM 1055 C ALA B 50 -6.545 0.681 3.616 1.00 0.00 C ATOM 1056 O ALA B 50 -5.736 0.784 4.535 1.00 0.00 O ATOM 1057 CB ALA B 50 -5.669 1.739 1.490 1.00 0.00 C ATOM 0 H ALA B 50 -7.278 0.175 0.531 1.00 0.00 H new ATOM 0 HA ALA B 50 -5.146 -0.184 2.311 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -4.975 2.303 2.114 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.199 1.518 0.532 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -6.570 2.330 1.324 1.00 0.00 H new ATOM 1063 N ASN B 51 -7.861 0.713 3.837 1.00 0.00 N ATOM 1064 CA ASN B 51 -8.465 0.759 5.171 1.00 0.00 C ATOM 1065 C ASN B 51 -8.053 -0.435 6.064 1.00 0.00 C ATOM 1066 O ASN B 51 -8.007 -0.294 7.284 1.00 0.00 O ATOM 1067 CB ASN B 51 -9.986 0.861 5.002 1.00 0.00 C ATOM 1068 CG ASN B 51 -10.705 1.033 6.330 1.00 0.00 C ATOM 1069 OD1 ASN B 51 -10.548 2.027 7.026 1.00 0.00 O ATOM 1070 ND2 ASN B 51 -11.522 0.081 6.727 1.00 0.00 N ATOM 0 H ASN B 51 -8.548 0.708 3.083 1.00 0.00 H new ATOM 0 HA ASN B 51 -8.092 1.637 5.699 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -10.221 1.704 4.352 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -10.355 -0.036 4.505 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -12.021 0.173 7.612 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -11.656 -0.749 6.150 1.00 0.00 H new ATOM 1077 N GLU B 52 -7.680 -1.581 5.481 1.00 0.00 N ATOM 1078 CA GLU B 52 -7.159 -2.746 6.212 1.00 0.00 C ATOM 1079 C GLU B 52 -5.741 -2.527 6.778 1.00 0.00 C ATOM 1080 O GLU B 52 -5.383 -3.102 7.806 1.00 0.00 O ATOM 1081 CB GLU B 52 -7.175 -4.010 5.334 1.00 0.00 C ATOM 1082 CG GLU B 52 -8.577 -4.334 4.800 1.00 0.00 C ATOM 1083 CD GLU B 52 -8.612 -5.699 4.084 1.00 0.00 C ATOM 1084 OE1 GLU B 52 -8.555 -6.748 4.772 1.00 0.00 O ATOM 1085 OE2 GLU B 52 -8.727 -5.737 2.835 1.00 0.00 O ATOM 0 H GLU B 52 -7.732 -1.729 4.473 1.00 0.00 H new ATOM 0 HA GLU B 52 -7.830 -2.883 7.060 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -6.492 -3.875 4.495 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -6.805 -4.856 5.913 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -9.289 -4.337 5.625 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -8.893 -3.552 4.109 1.00 0.00 H new ATOM 1092 N GLU B 53 -4.944 -1.661 6.143 1.00 0.00 N ATOM 1093 CA GLU B 53 -3.656 -1.144 6.624 1.00 0.00 C ATOM 1094 C GLU B 53 -3.791 0.225 7.331 1.00 0.00 C ATOM 1095 O GLU B 53 -2.802 0.790 7.803 1.00 0.00 O ATOM 1096 CB GLU B 53 -2.699 -1.074 5.426 1.00 0.00 C ATOM 1097 CG GLU B 53 -1.951 -2.405 5.238 1.00 0.00 C ATOM 1098 CD GLU B 53 -0.883 -2.380 4.120 1.00 0.00 C ATOM 1099 OE1 GLU B 53 -0.406 -1.291 3.722 1.00 0.00 O ATOM 1100 OE2 GLU B 53 -0.472 -3.478 3.670 1.00 0.00 O ATOM 0 H GLU B 53 -5.193 -1.281 5.230 1.00 0.00 H new ATOM 0 HA GLU B 53 -3.259 -1.819 7.383 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -3.260 -0.837 4.522 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -1.981 -0.268 5.576 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -1.470 -2.674 6.178 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -2.676 -3.188 5.015 1.00 0.00 H new ATOM 1107 N GLU B 54 -5.022 0.735 7.442 1.00 0.00 N ATOM 1108 CA GLU B 54 -5.447 1.972 8.115 1.00 0.00 C ATOM 1109 C GLU B 54 -5.126 3.239 7.292 1.00 0.00 C ATOM 1110 O GLU B 54 -4.568 4.222 7.782 1.00 0.00 O ATOM 1111 CB GLU B 54 -4.981 1.999 9.587 1.00 0.00 C ATOM 1112 CG GLU B 54 -5.904 2.862 10.455 1.00 0.00 C ATOM 1113 CD GLU B 54 -5.384 2.947 11.904 1.00 0.00 C ATOM 1114 OE1 GLU B 54 -5.715 2.056 12.726 1.00 0.00 O ATOM 1115 OE2 GLU B 54 -4.650 3.908 12.240 1.00 0.00 O ATOM 0 H GLU B 54 -5.819 0.252 7.027 1.00 0.00 H new ATOM 0 HA GLU B 54 -6.536 1.976 8.166 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -4.956 0.983 9.980 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -3.964 2.386 9.640 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -5.975 3.864 10.031 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -6.910 2.442 10.450 1.00 0.00 H new ATOM 1122 N GLU B 55 -5.533 3.209 6.018 1.00 0.00 N ATOM 1123 CA GLU B 55 -5.455 4.275 5.007 1.00 0.00 C ATOM 1124 C GLU B 55 -4.027 4.786 4.741 1.00 0.00 C ATOM 1125 O GLU B 55 -3.576 5.829 5.224 1.00 0.00 O ATOM 1126 CB GLU B 55 -6.469 5.380 5.310 1.00 0.00 C ATOM 1127 CG GLU B 55 -6.693 6.337 4.131 1.00 0.00 C ATOM 1128 CD GLU B 55 -7.658 7.472 4.522 1.00 0.00 C ATOM 1129 OE1 GLU B 55 -8.896 7.279 4.448 1.00 0.00 O ATOM 1130 OE2 GLU B 55 -7.188 8.573 4.903 1.00 0.00 O ATOM 0 H GLU B 55 -5.962 2.368 5.633 1.00 0.00 H new ATOM 0 HA GLU B 55 -5.739 3.833 4.052 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -7.420 4.925 5.586 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -6.127 5.951 6.173 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -5.739 6.758 3.813 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -7.098 5.786 3.282 1.00 0.00 H new ATOM 1137 N SER B 56 -3.339 4.029 3.892 1.00 0.00 N ATOM 1138 CA SER B 56 -2.045 4.356 3.279 1.00 0.00 C ATOM 1139 C SER B 56 -2.062 3.938 1.802 1.00 0.00 C ATOM 1140 O SER B 56 -1.346 3.038 1.362 1.00 0.00 O ATOM 1141 CB SER B 56 -0.902 3.719 4.083 1.00 0.00 C ATOM 1142 OG SER B 56 0.340 4.289 3.699 1.00 0.00 O ATOM 0 H SER B 56 -3.685 3.117 3.593 1.00 0.00 H new ATOM 0 HA SER B 56 -1.870 5.432 3.304 1.00 0.00 H new ATOM 0 HB2 SER B 56 -1.067 3.872 5.149 1.00 0.00 H new ATOM 0 HB3 SER B 56 -0.885 2.642 3.915 1.00 0.00 H new ATOM 0 HG SER B 56 1.063 3.878 4.218 1.00 0.00 H new ATOM 1148 N VAL B 57 -2.966 4.553 1.032 1.00 0.00 N ATOM 1149 CA VAL B 57 -3.345 4.142 -0.337 1.00 0.00 C ATOM 1150 C VAL B 57 -2.163 4.003 -1.291 1.00 0.00 C ATOM 1151 O VAL B 57 -2.043 2.979 -1.956 1.00 0.00 O ATOM 1152 CB VAL B 57 -4.402 5.070 -0.987 1.00 0.00 C ATOM 1153 CG1 VAL B 57 -5.776 4.412 -0.960 1.00 0.00 C ATOM 1154 CG2 VAL B 57 -4.553 6.438 -0.317 1.00 0.00 C ATOM 0 H VAL B 57 -3.474 5.378 1.349 1.00 0.00 H new ATOM 0 HA VAL B 57 -3.783 3.155 -0.187 1.00 0.00 H new ATOM 0 HB VAL B 57 -4.033 5.229 -2.000 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -6.507 5.077 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -5.741 3.473 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -6.065 4.215 0.072 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -5.314 7.017 -0.840 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -4.851 6.303 0.723 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -3.602 6.969 -0.356 1.00 0.00 H new ATOM 1164 N GLY B 58 -1.269 4.992 -1.338 1.00 0.00 N ATOM 1165 CA GLY B 58 -0.084 4.986 -2.207 1.00 0.00 C ATOM 1166 C GLY B 58 0.837 3.806 -1.901 1.00 0.00 C ATOM 1167 O GLY B 58 1.305 3.110 -2.802 1.00 0.00 O ATOM 0 H GLY B 58 -1.346 5.833 -0.766 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -0.398 4.941 -3.250 1.00 0.00 H new ATOM 0 HA3 GLY B 58 0.465 5.919 -2.079 1.00 0.00 H new ATOM 1171 N SER B 59 1.036 3.532 -0.611 1.00 0.00 N ATOM 1172 CA SER B 59 1.779 2.365 -0.143 1.00 0.00 C ATOM 1173 C SER B 59 1.065 1.064 -0.489 1.00 0.00 C ATOM 1174 O SER B 59 1.725 0.140 -0.947 1.00 0.00 O ATOM 1175 CB SER B 59 2.002 2.445 1.365 1.00 0.00 C ATOM 1176 OG SER B 59 3.044 1.566 1.762 1.00 0.00 O ATOM 0 H SER B 59 0.682 4.120 0.144 1.00 0.00 H new ATOM 0 HA SER B 59 2.742 2.368 -0.653 1.00 0.00 H new ATOM 0 HB2 SER B 59 2.254 3.467 1.647 1.00 0.00 H new ATOM 0 HB3 SER B 59 1.082 2.187 1.889 1.00 0.00 H new ATOM 0 HG SER B 59 3.175 1.631 2.731 1.00 0.00 H new ATOM 1182 N TYR B 60 -0.261 0.975 -0.334 1.00 0.00 N ATOM 1183 CA TYR B 60 -1.015 -0.242 -0.664 1.00 0.00 C ATOM 1184 C TYR B 60 -0.977 -0.542 -2.167 1.00 0.00 C ATOM 1185 O TYR B 60 -0.773 -1.684 -2.575 1.00 0.00 O ATOM 1186 CB TYR B 60 -2.466 -0.147 -0.175 1.00 0.00 C ATOM 1187 CG TYR B 60 -3.059 -1.491 0.234 1.00 0.00 C ATOM 1188 CD1 TYR B 60 -3.361 -2.477 -0.726 1.00 0.00 C ATOM 1189 CD2 TYR B 60 -3.288 -1.762 1.595 1.00 0.00 C ATOM 1190 CE1 TYR B 60 -3.918 -3.710 -0.333 1.00 0.00 C ATOM 1191 CE2 TYR B 60 -3.868 -2.983 1.995 1.00 0.00 C ATOM 1192 CZ TYR B 60 -4.186 -3.961 1.029 1.00 0.00 C ATOM 1193 OH TYR B 60 -4.741 -5.148 1.397 1.00 0.00 O ATOM 0 H TYR B 60 -0.839 1.737 0.021 1.00 0.00 H new ATOM 0 HA TYR B 60 -0.530 -1.068 -0.144 1.00 0.00 H new ATOM 0 HB2 TYR B 60 -2.511 0.535 0.674 1.00 0.00 H new ATOM 0 HB3 TYR B 60 -3.080 0.287 -0.965 1.00 0.00 H new ATOM 0 HD1 TYR B 60 -3.164 -2.286 -1.771 1.00 0.00 H new ATOM 0 HD2 TYR B 60 -3.017 -1.028 2.340 1.00 0.00 H new ATOM 0 HE1 TYR B 60 -4.140 -4.463 -1.075 1.00 0.00 H new ATOM 0 HE2 TYR B 60 -4.069 -3.170 3.040 1.00 0.00 H new ATOM 0 HH TYR B 60 -4.861 -5.165 2.369 1.00 0.00 H new ATOM 1203 N ILE B 61 -1.108 0.500 -2.991 1.00 0.00 N ATOM 1204 CA ILE B 61 -0.968 0.473 -4.454 1.00 0.00 C ATOM 1205 C ILE B 61 0.383 -0.118 -4.819 1.00 0.00 C ATOM 1206 O ILE B 61 0.444 -1.060 -5.611 1.00 0.00 O ATOM 1207 CB ILE B 61 -1.160 1.900 -5.041 1.00 0.00 C ATOM 1208 CG1 ILE B 61 -2.651 2.307 -5.035 1.00 0.00 C ATOM 1209 CG2 ILE B 61 -0.577 2.082 -6.458 1.00 0.00 C ATOM 1210 CD1 ILE B 61 -2.868 3.819 -5.089 1.00 0.00 C ATOM 0 H ILE B 61 -1.325 1.433 -2.641 1.00 0.00 H new ATOM 0 HA ILE B 61 -1.742 -0.159 -4.890 1.00 0.00 H new ATOM 0 HB ILE B 61 -0.592 2.558 -4.383 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -3.149 1.845 -5.887 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -3.124 1.911 -4.136 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -0.752 3.104 -6.795 1.00 0.00 H new ATOM 0 HG22 ILE B 61 0.495 1.885 -6.438 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -1.061 1.386 -7.143 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.937 4.034 -5.082 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -2.398 4.285 -4.223 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -2.424 4.218 -6.001 1.00 0.00 H new ATOM 1222 N LYS B 62 1.451 0.378 -4.185 1.00 0.00 N ATOM 1223 CA LYS B 62 2.781 -0.204 -4.317 1.00 0.00 C ATOM 1224 C LYS B 62 2.773 -1.672 -3.892 1.00 0.00 C ATOM 1225 O LYS B 62 3.002 -2.556 -4.703 1.00 0.00 O ATOM 1226 CB LYS B 62 3.797 0.644 -3.528 1.00 0.00 C ATOM 1227 CG LYS B 62 5.205 0.479 -4.115 1.00 0.00 C ATOM 1228 CD LYS B 62 6.286 1.376 -3.488 1.00 0.00 C ATOM 1229 CE LYS B 62 6.963 0.818 -2.224 1.00 0.00 C ATOM 1230 NZ LYS B 62 6.125 0.932 -0.998 1.00 0.00 N ATOM 0 H LYS B 62 1.413 1.191 -3.570 1.00 0.00 H new ATOM 0 HA LYS B 62 3.088 -0.191 -5.363 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.505 1.694 -3.558 1.00 0.00 H new ATOM 0 HB3 LYS B 62 3.796 0.343 -2.481 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.509 -0.562 -4.002 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.161 0.684 -5.185 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.055 1.565 -4.237 1.00 0.00 H new ATOM 0 HD3 LYS B 62 5.837 2.338 -3.243 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.211 -0.231 -2.388 1.00 0.00 H new ATOM 0 HE3 LYS B 62 7.903 1.346 -2.062 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 6.721 0.797 -0.156 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 5.686 1.874 -0.964 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 5.382 0.204 -1.016 1.00 0.00 H new ATOM 1244 N ARG B 63 2.451 -1.942 -2.630 1.00 0.00 N ATOM 1245 CA ARG B 63 2.494 -3.244 -1.949 1.00 0.00 C ATOM 1246 C ARG B 63 1.754 -4.331 -2.717 1.00 0.00 C ATOM 1247 O ARG B 63 2.223 -5.461 -2.735 1.00 0.00 O ATOM 1248 CB ARG B 63 1.939 -3.104 -0.515 1.00 0.00 C ATOM 1249 CG ARG B 63 2.429 -4.188 0.459 1.00 0.00 C ATOM 1250 CD ARG B 63 3.871 -3.915 0.915 1.00 0.00 C ATOM 1251 NE ARG B 63 4.302 -4.861 1.963 1.00 0.00 N ATOM 1252 CZ ARG B 63 5.205 -4.656 2.907 1.00 0.00 C ATOM 1253 NH1 ARG B 63 5.861 -3.533 3.015 1.00 0.00 N ATOM 1254 NH2 ARG B 63 5.476 -5.587 3.775 1.00 0.00 N ATOM 0 H ARG B 63 2.128 -1.204 -2.005 1.00 0.00 H new ATOM 0 HA ARG B 63 3.537 -3.557 -1.903 1.00 0.00 H new ATOM 0 HB2 ARG B 63 2.219 -2.126 -0.123 1.00 0.00 H new ATOM 0 HB3 ARG B 63 0.850 -3.132 -0.554 1.00 0.00 H new ATOM 0 HG2 ARG B 63 1.771 -4.225 1.327 1.00 0.00 H new ATOM 0 HG3 ARG B 63 2.376 -5.164 -0.023 1.00 0.00 H new ATOM 0 HD2 ARG B 63 4.543 -3.989 0.060 1.00 0.00 H new ATOM 0 HD3 ARG B 63 3.946 -2.895 1.292 1.00 0.00 H new ATOM 0 HE ARG B 63 3.852 -5.777 1.958 1.00 0.00 H new ATOM 0 HH11 ARG B 63 5.685 -2.774 2.357 1.00 0.00 H new ATOM 0 HH12 ARG B 63 6.550 -3.414 3.758 1.00 0.00 H new ATOM 0 HH21 ARG B 63 4.990 -6.483 3.730 1.00 0.00 H new ATOM 0 HH22 ARG B 63 6.174 -5.421 4.500 1.00 0.00 H new ATOM 1268 N TYR B 64 0.667 -4.004 -3.413 1.00 0.00 N ATOM 1269 CA TYR B 64 -0.071 -4.961 -4.236 1.00 0.00 C ATOM 1270 C TYR B 64 0.711 -5.432 -5.466 1.00 0.00 C ATOM 1271 O TYR B 64 0.743 -6.614 -5.799 1.00 0.00 O ATOM 1272 CB TYR B 64 -1.393 -4.339 -4.670 1.00 0.00 C ATOM 1273 CG TYR B 64 -2.434 -5.423 -4.893 1.00 0.00 C ATOM 1274 CD1 TYR B 64 -2.382 -6.248 -6.034 1.00 0.00 C ATOM 1275 CD2 TYR B 64 -3.338 -5.728 -3.859 1.00 0.00 C ATOM 1276 CE1 TYR B 64 -3.216 -7.377 -6.133 1.00 0.00 C ATOM 1277 CE2 TYR B 64 -4.192 -6.844 -3.963 1.00 0.00 C ATOM 1278 CZ TYR B 64 -4.130 -7.676 -5.099 1.00 0.00 C ATOM 1279 OH TYR B 64 -4.927 -8.777 -5.175 1.00 0.00 O ATOM 0 H TYR B 64 0.271 -3.064 -3.422 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.244 -5.845 -3.622 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -1.742 -3.640 -3.909 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.251 -3.767 -5.587 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -1.699 -6.013 -6.837 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -3.378 -5.102 -2.979 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -3.157 -8.016 -7.002 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -4.894 -7.062 -3.172 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.492 -8.827 -4.376 1.00 0.00 H new ATOM 1289 N ILE B 65 1.390 -4.494 -6.117 1.00 0.00 N ATOM 1290 CA ILE B 65 2.345 -4.743 -7.208 1.00 0.00 C ATOM 1291 C ILE B 65 3.463 -5.653 -6.692 1.00 0.00 C ATOM 1292 O ILE B 65 3.845 -6.611 -7.359 1.00 0.00 O ATOM 1293 CB ILE B 65 2.898 -3.418 -7.788 1.00 0.00 C ATOM 1294 CG1 ILE B 65 1.779 -2.546 -8.391 1.00 0.00 C ATOM 1295 CG2 ILE B 65 4.002 -3.668 -8.822 1.00 0.00 C ATOM 1296 CD1 ILE B 65 2.178 -1.084 -8.595 1.00 0.00 C ATOM 0 H ILE B 65 1.292 -3.503 -5.897 1.00 0.00 H new ATOM 0 HA ILE B 65 1.834 -5.245 -8.029 1.00 0.00 H new ATOM 0 HB ILE B 65 3.336 -2.871 -6.953 1.00 0.00 H new ATOM 0 HG12 ILE B 65 1.479 -2.968 -9.350 1.00 0.00 H new ATOM 0 HG13 ILE B 65 0.907 -2.587 -7.738 1.00 0.00 H new ATOM 0 HG21 ILE B 65 4.364 -2.714 -9.206 1.00 0.00 H new ATOM 0 HG22 ILE B 65 4.825 -4.206 -8.352 1.00 0.00 H new ATOM 0 HG23 ILE B 65 3.603 -4.262 -9.644 1.00 0.00 H new ATOM 0 HD11 ILE B 65 1.339 -0.534 -9.022 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.449 -0.644 -7.636 1.00 0.00 H new ATOM 0 HD13 ILE B 65 3.030 -1.031 -9.273 1.00 0.00 H new ATOM 1308 N LEU B 66 3.951 -5.410 -5.473 1.00 0.00 N ATOM 1309 CA LEU B 66 5.023 -6.196 -4.864 1.00 0.00 C ATOM 1310 C LEU B 66 4.534 -7.600 -4.479 1.00 0.00 C ATOM 1311 O LEU B 66 5.239 -8.587 -4.690 1.00 0.00 O ATOM 1312 CB LEU B 66 5.605 -5.425 -3.667 1.00 0.00 C ATOM 1313 CG LEU B 66 5.952 -3.956 -3.975 1.00 0.00 C ATOM 1314 CD1 LEU B 66 6.654 -3.293 -2.806 1.00 0.00 C ATOM 1315 CD2 LEU B 66 6.793 -3.770 -5.231 1.00 0.00 C ATOM 0 H LEU B 66 3.609 -4.656 -4.877 1.00 0.00 H new ATOM 0 HA LEU B 66 5.822 -6.344 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU B 66 4.888 -5.454 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU B 66 6.504 -5.935 -3.322 1.00 0.00 H new ATOM 0 HG LEU B 66 4.990 -3.476 -4.153 1.00 0.00 H new ATOM 0 HD11 LEU B 66 6.884 -2.258 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU B 66 6.005 -3.317 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU B 66 7.579 -3.827 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU B 66 6.995 -2.709 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU B 66 7.735 -4.307 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU B 66 6.251 -4.160 -6.093 1.00 0.00 H new ATOM 1327 N LYS B 67 3.288 -7.699 -4.003 1.00 0.00 N ATOM 1328 CA LYS B 67 2.565 -8.937 -3.698 1.00 0.00 C ATOM 1329 C LYS B 67 2.367 -9.803 -4.944 1.00 0.00 C ATOM 1330 O LYS B 67 2.568 -11.015 -4.896 1.00 0.00 O ATOM 1331 CB LYS B 67 1.229 -8.567 -3.034 1.00 0.00 C ATOM 1332 CG LYS B 67 0.477 -9.792 -2.499 1.00 0.00 C ATOM 1333 CD LYS B 67 -0.789 -9.365 -1.741 1.00 0.00 C ATOM 1334 CE LYS B 67 -1.613 -10.562 -1.242 1.00 0.00 C ATOM 1335 NZ LYS B 67 -0.935 -11.304 -0.144 1.00 0.00 N ATOM 0 H LYS B 67 2.726 -6.870 -3.810 1.00 0.00 H new ATOM 0 HA LYS B 67 3.154 -9.543 -3.010 1.00 0.00 H new ATOM 0 HB2 LYS B 67 1.415 -7.873 -2.214 1.00 0.00 H new ATOM 0 HB3 LYS B 67 0.600 -8.046 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS B 67 0.207 -10.449 -3.326 1.00 0.00 H new ATOM 0 HG3 LYS B 67 1.128 -10.364 -1.837 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -0.507 -8.744 -0.891 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -1.408 -8.750 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -2.584 -10.210 -0.893 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -1.801 -11.242 -2.073 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -1.532 -12.101 0.156 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -0.020 -11.665 -0.482 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -0.779 -10.665 0.662 1.00 0.00 H new ATOM 1349 N ALA B 68 2.030 -9.173 -6.069 1.00 0.00 N ATOM 1350 CA ALA B 68 1.965 -9.816 -7.377 1.00 0.00 C ATOM 1351 C ALA B 68 3.355 -10.284 -7.839 1.00 0.00 C ATOM 1352 O ALA B 68 3.515 -11.432 -8.252 1.00 0.00 O ATOM 1353 CB ALA B 68 1.320 -8.847 -8.375 1.00 0.00 C ATOM 0 H ALA B 68 1.790 -8.182 -6.095 1.00 0.00 H new ATOM 0 HA ALA B 68 1.349 -10.713 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA B 68 1.266 -9.318 -9.357 1.00 0.00 H new ATOM 0 HB2 ALA B 68 0.315 -8.594 -8.039 1.00 0.00 H new ATOM 0 HB3 ALA B 68 1.920 -7.939 -8.440 1.00 0.00 H new ATOM 1359 N LEU B 69 4.387 -9.439 -7.719 1.00 0.00 N ATOM 1360 CA LEU B 69 5.760 -9.731 -8.116 1.00 0.00 C ATOM 1361 C LEU B 69 6.335 -10.942 -7.360 1.00 0.00 C ATOM 1362 O LEU B 69 7.045 -11.758 -7.949 1.00 0.00 O ATOM 1363 CB LEU B 69 6.581 -8.448 -7.954 1.00 0.00 C ATOM 1364 CG LEU B 69 6.413 -7.441 -9.115 1.00 0.00 C ATOM 1365 CD1 LEU B 69 7.045 -6.097 -8.750 1.00 0.00 C ATOM 1366 CD2 LEU B 69 7.113 -7.904 -10.393 1.00 0.00 C ATOM 0 H LEU B 69 4.280 -8.503 -7.329 1.00 0.00 H new ATOM 0 HA LEU B 69 5.798 -10.033 -9.163 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.295 -7.962 -7.021 1.00 0.00 H new ATOM 0 HB3 LEU B 69 7.635 -8.712 -7.866 1.00 0.00 H new ATOM 0 HG LEU B 69 5.339 -7.358 -9.283 1.00 0.00 H new ATOM 0 HD11 LEU B 69 6.919 -5.399 -9.577 1.00 0.00 H new ATOM 0 HD12 LEU B 69 6.560 -5.697 -7.860 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.108 -6.236 -8.552 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.965 -7.162 -11.178 1.00 0.00 H new ATOM 0 HD22 LEU B 69 8.180 -8.022 -10.201 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.694 -8.858 -10.712 1.00 0.00 H new ATOM 1378 N ARG B 70 5.917 -11.124 -6.099 1.00 0.00 N ATOM 1379 CA ARG B 70 6.155 -12.284 -5.227 1.00 0.00 C ATOM 1380 C ARG B 70 5.663 -13.635 -5.773 1.00 0.00 C ATOM 1381 O ARG B 70 6.116 -14.681 -5.300 1.00 0.00 O ATOM 1382 CB ARG B 70 5.529 -11.994 -3.850 1.00 0.00 C ATOM 1383 CG ARG B 70 6.568 -12.039 -2.726 1.00 0.00 C ATOM 1384 CD ARG B 70 6.880 -13.456 -2.224 1.00 0.00 C ATOM 1385 NE ARG B 70 5.718 -14.070 -1.545 1.00 0.00 N ATOM 1386 CZ ARG B 70 5.190 -15.266 -1.740 1.00 0.00 C ATOM 1387 NH1 ARG B 70 5.576 -16.058 -2.700 1.00 0.00 N ATOM 1388 NH2 ARG B 70 4.238 -15.696 -0.960 1.00 0.00 N ATOM 0 H ARG B 70 5.362 -10.411 -5.626 1.00 0.00 H new ATOM 0 HA ARG B 70 7.236 -12.404 -5.161 1.00 0.00 H new ATOM 0 HB2 ARG B 70 5.055 -11.012 -3.867 1.00 0.00 H new ATOM 0 HB3 ARG B 70 4.744 -12.723 -3.648 1.00 0.00 H new ATOM 0 HG2 ARG B 70 7.490 -11.578 -3.079 1.00 0.00 H new ATOM 0 HG3 ARG B 70 6.210 -11.438 -1.890 1.00 0.00 H new ATOM 0 HD2 ARG B 70 7.181 -14.081 -3.065 1.00 0.00 H new ATOM 0 HD3 ARG B 70 7.725 -13.419 -1.536 1.00 0.00 H new ATOM 0 HE ARG B 70 5.265 -13.496 -0.834 1.00 0.00 H new ATOM 0 HH11 ARG B 70 6.314 -15.763 -3.339 1.00 0.00 H new ATOM 0 HH12 ARG B 70 5.140 -16.973 -2.813 1.00 0.00 H new ATOM 0 HH21 ARG B 70 3.899 -15.109 -0.198 1.00 0.00 H new ATOM 0 HH22 ARG B 70 3.832 -16.619 -1.112 1.00 0.00 H new ATOM 1402 N LYS B 71 4.750 -13.617 -6.752 1.00 0.00 N ATOM 1403 CA LYS B 71 4.184 -14.781 -7.465 1.00 0.00 C ATOM 1404 C LYS B 71 4.633 -14.858 -8.934 1.00 0.00 C ATOM 1405 O LYS B 71 4.869 -15.952 -9.448 1.00 0.00 O ATOM 1406 CB LYS B 71 2.659 -14.752 -7.322 1.00 0.00 C ATOM 1407 CG LYS B 71 1.965 -16.000 -7.892 1.00 0.00 C ATOM 1408 CD LYS B 71 0.444 -15.929 -7.684 1.00 0.00 C ATOM 1409 CE LYS B 71 -0.296 -17.106 -8.338 1.00 0.00 C ATOM 1410 NZ LYS B 71 -0.021 -18.404 -7.661 1.00 0.00 N ATOM 0 H LYS B 71 4.359 -12.738 -7.092 1.00 0.00 H new ATOM 0 HA LYS B 71 4.570 -15.692 -7.008 1.00 0.00 H new ATOM 0 HB2 LYS B 71 2.403 -14.654 -6.267 1.00 0.00 H new ATOM 0 HB3 LYS B 71 2.271 -13.868 -7.828 1.00 0.00 H new ATOM 0 HG2 LYS B 71 2.186 -16.089 -8.956 1.00 0.00 H new ATOM 0 HG3 LYS B 71 2.360 -16.893 -7.408 1.00 0.00 H new ATOM 0 HD2 LYS B 71 0.227 -15.916 -6.616 1.00 0.00 H new ATOM 0 HD3 LYS B 71 0.068 -14.993 -8.097 1.00 0.00 H new ATOM 0 HE2 LYS B 71 -1.368 -16.911 -8.320 1.00 0.00 H new ATOM 0 HE3 LYS B 71 -0.003 -17.178 -9.385 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 -0.544 -19.164 -8.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 0.998 -18.607 -7.700 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 -0.325 -18.349 -6.668 1.00 0.00 H new ATOM 1424 N ILE B 72 4.777 -13.705 -9.592 1.00 0.00 N ATOM 1425 CA ILE B 72 5.244 -13.535 -10.981 1.00 0.00 C ATOM 1426 C ILE B 72 6.637 -14.159 -11.208 1.00 0.00 C ATOM 1427 O ILE B 72 6.850 -14.802 -12.238 1.00 0.00 O ATOM 1428 CB ILE B 72 5.201 -12.029 -11.333 1.00 0.00 C ATOM 1429 CG1 ILE B 72 3.734 -11.554 -11.487 1.00 0.00 C ATOM 1430 CG2 ILE B 72 5.986 -11.634 -12.592 1.00 0.00 C ATOM 1431 CD1 ILE B 72 3.565 -10.031 -11.425 1.00 0.00 C ATOM 0 H ILE B 72 4.560 -12.812 -9.150 1.00 0.00 H new ATOM 0 HA ILE B 72 4.580 -14.075 -11.656 1.00 0.00 H new ATOM 0 HB ILE B 72 5.694 -11.534 -10.496 1.00 0.00 H new ATOM 0 HG12 ILE B 72 3.343 -11.915 -12.439 1.00 0.00 H new ATOM 0 HG13 ILE B 72 3.131 -12.009 -10.702 1.00 0.00 H new ATOM 0 HG21 ILE B 72 5.895 -10.560 -12.755 1.00 0.00 H new ATOM 0 HG22 ILE B 72 7.037 -11.894 -12.462 1.00 0.00 H new ATOM 0 HG23 ILE B 72 5.584 -12.167 -13.454 1.00 0.00 H new ATOM 0 HD11 ILE B 72 2.511 -9.777 -11.540 1.00 0.00 H new ATOM 0 HD12 ILE B 72 3.924 -9.664 -10.463 1.00 0.00 H new ATOM 0 HD13 ILE B 72 4.140 -9.568 -12.227 1.00 0.00 H new ATOM 1443 N GLU B 73 7.568 -14.021 -10.251 1.00 0.00 N ATOM 1444 CA GLU B 73 8.891 -14.687 -10.252 1.00 0.00 C ATOM 1445 C GLU B 73 9.278 -15.255 -8.871 1.00 0.00 C ATOM 1446 O GLU B 73 9.424 -14.475 -7.901 1.00 0.00 O ATOM 1447 CB GLU B 73 9.965 -13.738 -10.819 1.00 0.00 C ATOM 1448 CG GLU B 73 11.285 -14.477 -11.103 1.00 0.00 C ATOM 1449 CD GLU B 73 12.356 -13.537 -11.695 1.00 0.00 C ATOM 1450 OE1 GLU B 73 12.290 -13.196 -12.900 1.00 0.00 O ATOM 1451 OE2 GLU B 73 13.291 -13.129 -10.960 1.00 0.00 O ATOM 0 H GLU B 73 7.423 -13.430 -9.433 1.00 0.00 H new ATOM 0 HA GLU B 73 8.823 -15.554 -10.909 1.00 0.00 H new ATOM 0 HB2 GLU B 73 9.598 -13.281 -11.738 1.00 0.00 H new ATOM 0 HB3 GLU B 73 10.146 -12.929 -10.111 1.00 0.00 H new ATOM 0 HG2 GLU B 73 11.660 -14.918 -10.179 1.00 0.00 H new ATOM 0 HG3 GLU B 73 11.100 -15.298 -11.796 1.00 0.00 H new TER 1458 GLU B 73