USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 733 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 3 THR OG1 : rot 180:sc= -0.983 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 131:sc= 0.153 USER MOD Single : A 10 GLN : amide:sc= -0.0292 K(o=-0.029,f=-3.3!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.62 X(o=-1.6,f=-1.9) USER MOD Single : A 38 ASN : amide:sc= -2.05 K(o=-2,f=-5.7!) USER MOD Single : A 39 MET CE :methyl -161:sc= -2.59 (180deg=-4.66!) USER MOD Single : A 43 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.11) USER MOD Single : A 45 SER OG : rot 180:sc= -0.304 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 130:sc= -5.34! USER MOD Single : A 55 HIS : no HD1:sc= -0.962 X(o=-0.96,f=-0.98) USER MOD Single : A 63 SER OG : rot 43:sc= 1.07 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -108:sc= 0.405 (180deg=-0.0357) USER MOD Single : A 73 CYS SG : rot -127:sc= 0.414 USER MOD Single : A 75 ASN :FLIP amide:sc= 0.0822 F(o=-0.68,f=0.082) USER MOD Single : A 77 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.198) USER MOD Single : A 80 LYS NZ :NH3+ 156:sc= 0.557 (180deg=-0.014) USER MOD Single : A 82 ASN : amide:sc= -0.759 X(o=-0.76,f=-0.43) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N THR A 3 5.640 -3.449 -3.804 1.00 0.00 N ATOM 28 CA THR A 3 6.664 -3.037 -4.756 1.00 0.00 C ATOM 29 C THR A 3 8.021 -2.891 -4.077 1.00 0.00 C ATOM 30 O THR A 3 8.120 -2.505 -2.912 1.00 0.00 O ATOM 31 CB THR A 3 6.296 -1.704 -5.435 1.00 0.00 C ATOM 32 OG1 THR A 3 7.444 -1.157 -6.094 1.00 0.00 O ATOM 33 CG2 THR A 3 5.767 -0.706 -4.416 1.00 0.00 C ATOM 0 HA THR A 3 6.723 -3.818 -5.514 1.00 0.00 H new ATOM 0 HB THR A 3 5.514 -1.899 -6.169 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.202 -0.311 -6.525 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.514 0.228 -4.919 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.877 -1.113 -3.936 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.531 -0.516 -3.662 1.00 0.00 H new ATOM 41 N PRO A 4 9.092 -3.207 -4.819 1.00 0.00 N ATOM 42 CA PRO A 4 10.463 -3.117 -4.309 1.00 0.00 C ATOM 43 C PRO A 4 10.911 -1.675 -4.099 1.00 0.00 C ATOM 44 O PRO A 4 10.837 -1.147 -2.989 1.00 0.00 O ATOM 45 CB PRO A 4 11.295 -3.781 -5.408 1.00 0.00 C ATOM 46 CG PRO A 4 10.486 -3.615 -6.648 1.00 0.00 C ATOM 47 CD PRO A 4 9.048 -3.675 -6.215 1.00 0.00 C ATOM 0 HA PRO A 4 10.566 -3.591 -3.333 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.272 -3.307 -5.506 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.472 -4.834 -5.189 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.708 -2.665 -7.134 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.710 -4.402 -7.368 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.415 -3.038 -6.833 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.648 -4.687 -6.287 1.00 0.00 H new ATOM 55 N ARG A 5 11.374 -1.042 -5.172 1.00 0.00 N ATOM 56 CA ARG A 5 11.834 0.340 -5.105 1.00 0.00 C ATOM 57 C ARG A 5 11.297 1.149 -6.282 1.00 0.00 C ATOM 58 O ARG A 5 10.865 0.588 -7.289 1.00 0.00 O ATOM 59 CB ARG A 5 13.363 0.391 -5.092 1.00 0.00 C ATOM 60 CG ARG A 5 13.966 0.235 -3.706 1.00 0.00 C ATOM 61 CD ARG A 5 14.313 -1.216 -3.409 1.00 0.00 C ATOM 62 NE ARG A 5 15.712 -1.515 -3.705 1.00 0.00 N ATOM 63 CZ ARG A 5 16.228 -2.738 -3.654 1.00 0.00 C ATOM 64 NH1 ARG A 5 15.466 -3.770 -3.322 1.00 0.00 N ATOM 65 NH2 ARG A 5 17.511 -2.930 -3.937 1.00 0.00 N ATOM 0 H ARG A 5 11.441 -1.464 -6.098 1.00 0.00 H new ATOM 0 HA ARG A 5 11.455 0.779 -4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.750 -0.397 -5.738 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.690 1.340 -5.516 1.00 0.00 H new ATOM 0 HG2 ARG A 5 14.864 0.848 -3.628 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.263 0.602 -2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 5 14.111 -1.430 -2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 5 13.670 -1.870 -3.997 1.00 0.00 H new ATOM 0 HE ARG A 5 16.326 -0.743 -3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.480 -3.627 -3.105 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.866 -4.708 -3.284 1.00 0.00 H new ATOM 0 HH21 ARG A 5 18.101 -2.138 -4.194 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.907 -3.869 -3.898 1.00 0.00 H new ATOM 79 N PHE A 6 11.328 2.471 -6.148 1.00 0.00 N ATOM 80 CA PHE A 6 10.844 3.358 -7.199 1.00 0.00 C ATOM 81 C PHE A 6 11.322 4.788 -6.968 1.00 0.00 C ATOM 82 O PHE A 6 11.484 5.223 -5.828 1.00 0.00 O ATOM 83 CB PHE A 6 9.315 3.323 -7.260 1.00 0.00 C ATOM 84 CG PHE A 6 8.655 3.627 -5.946 1.00 0.00 C ATOM 85 CD1 PHE A 6 8.466 2.629 -5.003 1.00 0.00 C ATOM 86 CD2 PHE A 6 8.224 4.911 -5.653 1.00 0.00 C ATOM 87 CE1 PHE A 6 7.860 2.906 -3.792 1.00 0.00 C ATOM 88 CE2 PHE A 6 7.617 5.193 -4.443 1.00 0.00 C ATOM 89 CZ PHE A 6 7.434 4.189 -3.513 1.00 0.00 C ATOM 0 H PHE A 6 11.683 2.952 -5.321 1.00 0.00 H new ATOM 0 HA PHE A 6 11.248 3.008 -8.149 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.973 4.042 -8.004 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.995 2.337 -7.598 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.796 1.623 -5.217 1.00 0.00 H new ATOM 0 HD2 PHE A 6 8.364 5.700 -6.377 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.720 2.120 -3.065 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.286 6.198 -4.226 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.958 4.407 -2.568 1.00 0.00 H new ATOM 99 N SER A 7 11.548 5.514 -8.058 1.00 0.00 N ATOM 100 CA SER A 7 12.012 6.894 -7.975 1.00 0.00 C ATOM 101 C SER A 7 11.079 7.828 -8.741 1.00 0.00 C ATOM 102 O SER A 7 10.612 7.499 -9.831 1.00 0.00 O ATOM 103 CB SER A 7 13.434 7.009 -8.527 1.00 0.00 C ATOM 104 OG SER A 7 14.335 7.450 -7.527 1.00 0.00 O ATOM 0 H SER A 7 11.417 5.170 -9.009 1.00 0.00 H new ATOM 0 HA SER A 7 12.012 7.190 -6.926 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.758 6.042 -8.911 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.447 7.706 -9.365 1.00 0.00 H new ATOM 0 HG SER A 7 15.237 7.514 -7.905 1.00 0.00 H new ATOM 110 N ILE A 8 10.813 8.993 -8.161 1.00 0.00 N ATOM 111 CA ILE A 8 9.938 9.976 -8.788 1.00 0.00 C ATOM 112 C ILE A 8 10.720 11.210 -9.223 1.00 0.00 C ATOM 113 O ILE A 8 11.646 11.646 -8.539 1.00 0.00 O ATOM 114 CB ILE A 8 8.805 10.408 -7.838 1.00 0.00 C ATOM 115 CG1 ILE A 8 8.197 9.187 -7.146 1.00 0.00 C ATOM 116 CG2 ILE A 8 7.738 11.177 -8.602 1.00 0.00 C ATOM 117 CD1 ILE A 8 7.062 9.528 -6.205 1.00 0.00 C ATOM 0 H ILE A 8 11.191 9.280 -7.258 1.00 0.00 H new ATOM 0 HA ILE A 8 9.503 9.497 -9.665 1.00 0.00 H new ATOM 0 HB ILE A 8 9.221 11.065 -7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.834 8.493 -7.904 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.978 8.669 -6.588 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.944 11.475 -7.917 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.182 12.065 -9.052 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.322 10.542 -9.385 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.679 8.614 -5.750 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.425 10.197 -5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.263 10.018 -6.761 1.00 0.00 H new ATOM 129 N THR A 9 10.340 11.772 -10.367 1.00 0.00 N ATOM 130 CA THR A 9 11.005 12.957 -10.894 1.00 0.00 C ATOM 131 C THR A 9 9.996 14.050 -11.228 1.00 0.00 C ATOM 132 O THR A 9 8.872 13.765 -11.638 1.00 0.00 O ATOM 133 CB THR A 9 11.824 12.627 -12.156 1.00 0.00 C ATOM 134 OG1 THR A 9 12.465 11.356 -12.006 1.00 0.00 O ATOM 135 CG2 THR A 9 12.869 13.700 -12.418 1.00 0.00 C ATOM 0 H THR A 9 9.575 11.425 -10.946 1.00 0.00 H new ATOM 0 HA THR A 9 11.679 13.314 -10.116 1.00 0.00 H new ATOM 0 HB THR A 9 11.142 12.591 -13.006 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.296 10.808 -12.801 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.435 13.446 -13.314 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.375 14.661 -12.561 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.547 13.764 -11.567 1.00 0.00 H new ATOM 143 N GLN A 10 10.407 15.302 -11.050 1.00 0.00 N ATOM 144 CA GLN A 10 9.537 16.438 -11.332 1.00 0.00 C ATOM 145 C GLN A 10 10.086 17.269 -12.487 1.00 0.00 C ATOM 146 O GLN A 10 11.299 17.419 -12.635 1.00 0.00 O ATOM 147 CB GLN A 10 9.384 17.312 -10.086 1.00 0.00 C ATOM 148 CG GLN A 10 10.700 17.871 -9.569 1.00 0.00 C ATOM 149 CD GLN A 10 11.444 16.888 -8.687 1.00 0.00 C ATOM 150 OE1 GLN A 10 12.323 16.162 -9.151 1.00 0.00 O ATOM 151 NE2 GLN A 10 11.095 16.861 -7.406 1.00 0.00 N ATOM 0 H GLN A 10 11.336 15.555 -10.712 1.00 0.00 H new ATOM 0 HA GLN A 10 8.558 16.053 -11.618 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.712 18.139 -10.313 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.913 16.726 -9.297 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.331 18.145 -10.414 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.507 18.784 -9.006 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.361 17.481 -7.064 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.561 16.220 -6.764 1.00 0.00 H new ATOM 160 N ASP A 11 9.186 17.808 -13.302 1.00 0.00 N ATOM 161 CA ASP A 11 9.580 18.625 -14.444 1.00 0.00 C ATOM 162 C ASP A 11 8.790 19.930 -14.476 1.00 0.00 C ATOM 163 O ASP A 11 7.889 20.141 -13.665 1.00 0.00 O ATOM 164 CB ASP A 11 9.369 17.854 -15.747 1.00 0.00 C ATOM 165 CG ASP A 11 9.691 16.379 -15.606 1.00 0.00 C ATOM 166 OD1 ASP A 11 10.713 16.053 -14.967 1.00 0.00 O ATOM 167 OD2 ASP A 11 8.921 15.551 -16.135 1.00 0.00 O ATOM 0 H ASP A 11 8.178 17.694 -13.193 1.00 0.00 H new ATOM 0 HA ASP A 11 10.638 18.864 -14.341 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.334 17.968 -16.069 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.995 18.287 -16.527 1.00 0.00 H new ATOM 172 N GLU A 12 9.136 20.801 -15.419 1.00 0.00 N ATOM 173 CA GLU A 12 8.460 22.086 -15.555 1.00 0.00 C ATOM 174 C GLU A 12 7.263 21.974 -16.494 1.00 0.00 C ATOM 175 O GLU A 12 6.701 22.982 -16.922 1.00 0.00 O ATOM 176 CB GLU A 12 9.433 23.147 -16.075 1.00 0.00 C ATOM 177 CG GLU A 12 9.963 22.855 -17.468 1.00 0.00 C ATOM 178 CD GLU A 12 11.283 22.109 -17.445 1.00 0.00 C ATOM 179 OE1 GLU A 12 11.711 21.693 -16.349 1.00 0.00 O ATOM 180 OE2 GLU A 12 11.888 21.941 -18.525 1.00 0.00 O ATOM 0 H GLU A 12 9.879 20.641 -16.099 1.00 0.00 H new ATOM 0 HA GLU A 12 8.101 22.385 -14.570 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.932 24.115 -16.081 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.273 23.227 -15.385 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.227 22.267 -18.017 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.089 23.793 -18.009 1.00 0.00 H new ATOM 187 N GLU A 13 6.879 20.741 -16.810 1.00 0.00 N ATOM 188 CA GLU A 13 5.750 20.498 -17.700 1.00 0.00 C ATOM 189 C GLU A 13 4.851 19.395 -17.149 1.00 0.00 C ATOM 190 O GLU A 13 3.625 19.480 -17.229 1.00 0.00 O ATOM 191 CB GLU A 13 6.245 20.117 -19.097 1.00 0.00 C ATOM 192 CG GLU A 13 7.514 19.280 -19.085 1.00 0.00 C ATOM 193 CD GLU A 13 7.897 18.782 -20.465 1.00 0.00 C ATOM 194 OE1 GLU A 13 7.126 19.024 -21.418 1.00 0.00 O ATOM 195 OE2 GLU A 13 8.966 18.150 -20.593 1.00 0.00 O ATOM 0 H GLU A 13 7.333 19.896 -16.463 1.00 0.00 H new ATOM 0 HA GLU A 13 5.169 21.418 -17.767 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.460 19.565 -19.613 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.425 21.026 -19.670 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.332 19.873 -18.677 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.376 18.427 -18.420 1.00 0.00 H new ATOM 202 N PHE A 14 5.469 18.360 -16.590 1.00 0.00 N ATOM 203 CA PHE A 14 4.726 17.239 -16.026 1.00 0.00 C ATOM 204 C PHE A 14 5.595 16.443 -15.056 1.00 0.00 C ATOM 205 O PHE A 14 6.773 16.748 -14.869 1.00 0.00 O ATOM 206 CB PHE A 14 4.219 16.323 -17.142 1.00 0.00 C ATOM 207 CG PHE A 14 5.319 15.702 -17.955 1.00 0.00 C ATOM 208 CD1 PHE A 14 5.880 16.385 -19.022 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.791 14.435 -17.652 1.00 0.00 C ATOM 210 CE1 PHE A 14 6.892 15.817 -19.772 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.803 13.862 -18.398 1.00 0.00 C ATOM 212 CZ PHE A 14 7.354 14.553 -19.460 1.00 0.00 C ATOM 0 H PHE A 14 6.483 18.274 -16.515 1.00 0.00 H new ATOM 0 HA PHE A 14 3.873 17.640 -15.478 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.611 15.532 -16.703 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.568 16.895 -17.803 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.522 17.373 -19.270 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.363 13.889 -16.824 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.321 16.360 -20.601 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.163 12.874 -18.151 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.144 14.106 -20.045 1.00 0.00 H new ATOM 222 N ILE A 15 5.004 15.424 -14.443 1.00 0.00 N ATOM 223 CA ILE A 15 5.723 14.584 -13.493 1.00 0.00 C ATOM 224 C ILE A 15 6.116 13.252 -14.123 1.00 0.00 C ATOM 225 O ILE A 15 5.352 12.668 -14.892 1.00 0.00 O ATOM 226 CB ILE A 15 4.882 14.313 -12.231 1.00 0.00 C ATOM 227 CG1 ILE A 15 4.962 15.504 -11.274 1.00 0.00 C ATOM 228 CG2 ILE A 15 5.354 13.041 -11.543 1.00 0.00 C ATOM 229 CD1 ILE A 15 6.280 15.601 -10.538 1.00 0.00 C ATOM 0 H ILE A 15 4.029 15.160 -14.587 1.00 0.00 H new ATOM 0 HA ILE A 15 6.623 15.129 -13.210 1.00 0.00 H new ATOM 0 HB ILE A 15 3.842 14.178 -12.527 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.801 16.423 -11.837 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.154 15.430 -10.547 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.750 12.863 -10.653 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.251 12.198 -12.226 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.400 13.149 -11.256 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.265 16.468 -9.878 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.434 14.698 -9.947 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.092 15.707 -11.258 1.00 0.00 H new ATOM 241 N PHE A 16 7.311 12.776 -13.792 1.00 0.00 N ATOM 242 CA PHE A 16 7.806 11.512 -14.325 1.00 0.00 C ATOM 243 C PHE A 16 8.092 10.522 -13.199 1.00 0.00 C ATOM 244 O PHE A 16 9.118 10.614 -12.523 1.00 0.00 O ATOM 245 CB PHE A 16 9.073 11.743 -15.151 1.00 0.00 C ATOM 246 CG PHE A 16 9.887 10.499 -15.360 1.00 0.00 C ATOM 247 CD1 PHE A 16 9.292 9.333 -15.813 1.00 0.00 C ATOM 248 CD2 PHE A 16 11.249 10.495 -15.102 1.00 0.00 C ATOM 249 CE1 PHE A 16 10.039 8.186 -16.007 1.00 0.00 C ATOM 250 CE2 PHE A 16 12.001 9.351 -15.295 1.00 0.00 C ATOM 251 CZ PHE A 16 11.395 8.195 -15.746 1.00 0.00 C ATOM 0 H PHE A 16 7.955 13.247 -13.157 1.00 0.00 H new ATOM 0 HA PHE A 16 7.034 11.090 -14.968 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.794 12.153 -16.122 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.690 12.492 -14.654 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.232 9.320 -16.017 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.728 11.395 -14.746 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.563 7.284 -16.362 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.062 9.361 -15.093 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.980 7.300 -15.894 1.00 0.00 H new ATOM 261 N LEU A 17 7.180 9.577 -13.004 1.00 0.00 N ATOM 262 CA LEU A 17 7.333 8.569 -11.961 1.00 0.00 C ATOM 263 C LEU A 17 7.954 7.294 -12.522 1.00 0.00 C ATOM 264 O LEU A 17 7.428 6.696 -13.461 1.00 0.00 O ATOM 265 CB LEU A 17 5.977 8.254 -11.326 1.00 0.00 C ATOM 266 CG LEU A 17 5.826 6.856 -10.725 1.00 0.00 C ATOM 267 CD1 LEU A 17 6.790 6.667 -9.564 1.00 0.00 C ATOM 268 CD2 LEU A 17 4.392 6.621 -10.274 1.00 0.00 C ATOM 0 H LEU A 17 6.326 9.487 -13.555 1.00 0.00 H new ATOM 0 HA LEU A 17 8.000 8.970 -11.198 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.786 8.987 -10.542 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.204 8.388 -12.083 1.00 0.00 H new ATOM 0 HG LEU A 17 6.068 6.123 -11.494 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.668 5.666 -9.149 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.814 6.791 -9.917 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.580 7.408 -8.792 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.303 5.621 -9.849 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.122 7.361 -9.521 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.722 6.712 -11.129 1.00 0.00 H new ATOM 280 N LYS A 18 9.074 6.882 -11.939 1.00 0.00 N ATOM 281 CA LYS A 18 9.766 5.675 -12.377 1.00 0.00 C ATOM 282 C LYS A 18 9.657 4.574 -11.328 1.00 0.00 C ATOM 283 O LYS A 18 9.834 4.821 -10.135 1.00 0.00 O ATOM 284 CB LYS A 18 11.239 5.981 -12.660 1.00 0.00 C ATOM 285 CG LYS A 18 12.101 4.739 -12.806 1.00 0.00 C ATOM 286 CD LYS A 18 13.436 5.061 -13.456 1.00 0.00 C ATOM 287 CE LYS A 18 14.191 6.129 -12.680 1.00 0.00 C ATOM 288 NZ LYS A 18 15.666 5.978 -12.821 1.00 0.00 N ATOM 0 H LYS A 18 9.523 7.366 -11.161 1.00 0.00 H new ATOM 0 HA LYS A 18 9.291 5.327 -13.294 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.310 6.572 -13.573 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.636 6.595 -11.852 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.270 4.295 -11.825 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.573 3.997 -13.405 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.041 4.156 -13.514 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.271 5.401 -14.479 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.891 7.115 -13.034 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.919 6.073 -11.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.145 6.724 -12.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.956 5.047 -12.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.929 6.057 -13.824 1.00 0.00 H new ATOM 302 N ILE A 19 9.366 3.359 -11.781 1.00 0.00 N ATOM 303 CA ILE A 19 9.236 2.220 -10.881 1.00 0.00 C ATOM 304 C ILE A 19 10.167 1.085 -11.292 1.00 0.00 C ATOM 305 O ILE A 19 10.248 0.729 -12.468 1.00 0.00 O ATOM 306 CB ILE A 19 7.789 1.693 -10.844 1.00 0.00 C ATOM 307 CG1 ILE A 19 6.808 2.849 -10.635 1.00 0.00 C ATOM 308 CG2 ILE A 19 7.632 0.653 -9.745 1.00 0.00 C ATOM 309 CD1 ILE A 19 6.009 3.195 -11.872 1.00 0.00 C ATOM 0 H ILE A 19 9.216 3.138 -12.765 1.00 0.00 H new ATOM 0 HA ILE A 19 9.512 2.572 -9.887 1.00 0.00 H new ATOM 0 HB ILE A 19 7.566 1.219 -11.800 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.121 2.591 -9.829 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.362 3.731 -10.312 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.604 0.290 -9.732 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.309 -0.181 -9.934 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.871 1.103 -8.781 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.335 4.022 -11.650 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.688 3.485 -12.674 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.428 2.327 -12.184 1.00 0.00 H new ATOM 321 N PHE A 20 10.868 0.519 -10.316 1.00 0.00 N ATOM 322 CA PHE A 20 11.794 -0.578 -10.576 1.00 0.00 C ATOM 323 C PHE A 20 11.101 -1.926 -10.407 1.00 0.00 C ATOM 324 O PHE A 20 10.605 -2.250 -9.327 1.00 0.00 O ATOM 325 CB PHE A 20 12.999 -0.489 -9.637 1.00 0.00 C ATOM 326 CG PHE A 20 13.615 0.879 -9.579 1.00 0.00 C ATOM 327 CD1 PHE A 20 13.663 1.680 -10.708 1.00 0.00 C ATOM 328 CD2 PHE A 20 14.147 1.365 -8.395 1.00 0.00 C ATOM 329 CE1 PHE A 20 14.229 2.940 -10.659 1.00 0.00 C ATOM 330 CE2 PHE A 20 14.713 2.624 -8.339 1.00 0.00 C ATOM 331 CZ PHE A 20 14.755 3.413 -9.472 1.00 0.00 C ATOM 0 H PHE A 20 10.813 0.801 -9.337 1.00 0.00 H new ATOM 0 HA PHE A 20 12.138 -0.494 -11.607 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.690 -0.782 -8.634 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.754 -1.205 -9.960 1.00 0.00 H new ATOM 0 HD1 PHE A 20 13.253 1.315 -11.638 1.00 0.00 H new ATOM 0 HD2 PHE A 20 14.119 0.752 -7.506 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.260 3.554 -11.547 1.00 0.00 H new ATOM 0 HE2 PHE A 20 15.123 2.991 -7.410 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.198 4.397 -9.430 1.00 0.00 H new ATOM 341 N ILE A 21 11.071 -2.708 -11.481 1.00 0.00 N ATOM 342 CA ILE A 21 10.440 -4.021 -11.452 1.00 0.00 C ATOM 343 C ILE A 21 11.100 -4.971 -12.446 1.00 0.00 C ATOM 344 O ILE A 21 12.093 -4.624 -13.085 1.00 0.00 O ATOM 345 CB ILE A 21 8.935 -3.930 -11.768 1.00 0.00 C ATOM 346 CG1 ILE A 21 8.719 -3.323 -13.155 1.00 0.00 C ATOM 347 CG2 ILE A 21 8.220 -3.107 -10.707 1.00 0.00 C ATOM 348 CD1 ILE A 21 7.697 -4.065 -13.987 1.00 0.00 C ATOM 0 H ILE A 21 11.476 -2.455 -12.382 1.00 0.00 H new ATOM 0 HA ILE A 21 10.568 -4.410 -10.442 1.00 0.00 H new ATOM 0 HB ILE A 21 8.516 -4.936 -11.763 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.401 -2.286 -13.043 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.669 -3.309 -13.689 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.158 -3.052 -10.944 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.350 -3.578 -9.732 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.639 -2.101 -10.683 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.596 -3.579 -14.957 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.023 -5.095 -14.130 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.735 -4.056 -13.474 1.00 0.00 H new ATOM 492 N LEU A 31 -2.644 -3.814 -16.772 1.00 0.00 N ATOM 493 CA LEU A 31 -1.871 -2.577 -16.728 1.00 0.00 C ATOM 494 C LEU A 31 -2.753 -1.372 -17.037 1.00 0.00 C ATOM 495 O LEU A 31 -3.199 -1.191 -18.169 1.00 0.00 O ATOM 496 CB LEU A 31 -0.711 -2.642 -17.723 1.00 0.00 C ATOM 497 CG LEU A 31 0.037 -3.974 -17.796 1.00 0.00 C ATOM 498 CD1 LEU A 31 1.275 -3.844 -18.669 1.00 0.00 C ATOM 499 CD2 LEU A 31 0.413 -4.452 -16.401 1.00 0.00 C ATOM 0 HA LEU A 31 -1.472 -2.463 -15.720 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.097 -2.410 -18.716 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.004 -1.860 -17.468 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.623 -4.715 -18.246 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.794 -4.802 -18.709 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.981 -3.548 -19.676 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.939 -3.089 -18.249 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.944 -5.401 -16.472 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.055 -3.712 -15.923 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.491 -4.586 -15.806 1.00 0.00 H new ATOM 511 N GLU A 32 -3.000 -0.550 -16.021 1.00 0.00 N ATOM 512 CA GLU A 32 -3.828 0.639 -16.186 1.00 0.00 C ATOM 513 C GLU A 32 -3.690 1.569 -14.983 1.00 0.00 C ATOM 514 O GLU A 32 -4.448 1.469 -14.018 1.00 0.00 O ATOM 515 CB GLU A 32 -5.294 0.244 -16.373 1.00 0.00 C ATOM 516 CG GLU A 32 -6.135 1.322 -17.037 1.00 0.00 C ATOM 517 CD GLU A 32 -7.588 0.918 -17.190 1.00 0.00 C ATOM 518 OE1 GLU A 32 -7.911 0.227 -18.179 1.00 0.00 O ATOM 519 OE2 GLU A 32 -8.402 1.292 -16.320 1.00 0.00 O ATOM 0 H GLU A 32 -2.639 -0.686 -15.077 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.485 1.169 -17.075 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.343 -0.664 -16.973 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.725 0.007 -15.400 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.077 2.237 -16.448 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.719 1.548 -18.019 1.00 0.00 H new ATOM 526 N ILE A 33 -2.717 2.471 -15.050 1.00 0.00 N ATOM 527 CA ILE A 33 -2.479 3.418 -13.967 1.00 0.00 C ATOM 528 C ILE A 33 -3.422 4.613 -14.066 1.00 0.00 C ATOM 529 O ILE A 33 -3.575 5.208 -15.133 1.00 0.00 O ATOM 530 CB ILE A 33 -1.024 3.924 -13.972 1.00 0.00 C ATOM 531 CG1 ILE A 33 -0.053 2.752 -13.824 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.813 4.938 -12.857 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.401 3.155 -13.925 1.00 0.00 C ATOM 0 H ILE A 33 -2.081 2.566 -15.842 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.667 2.886 -13.034 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.828 4.415 -14.925 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.222 2.270 -12.861 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.271 2.011 -14.593 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.220 5.287 -12.873 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.484 5.784 -13.003 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.023 4.470 -11.895 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.032 2.273 -13.811 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.586 3.610 -14.898 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.635 3.873 -13.139 1.00 0.00 H new ATOM 545 N ILE A 34 -4.049 4.959 -12.947 1.00 0.00 N ATOM 546 CA ILE A 34 -4.974 6.085 -12.907 1.00 0.00 C ATOM 547 C ILE A 34 -4.582 7.080 -11.820 1.00 0.00 C ATOM 548 O ILE A 34 -4.091 6.693 -10.758 1.00 0.00 O ATOM 549 CB ILE A 34 -6.420 5.616 -12.661 1.00 0.00 C ATOM 550 CG1 ILE A 34 -7.368 6.817 -12.619 1.00 0.00 C ATOM 551 CG2 ILE A 34 -6.506 4.821 -11.367 1.00 0.00 C ATOM 552 CD1 ILE A 34 -7.619 7.340 -11.222 1.00 0.00 C ATOM 0 H ILE A 34 -3.933 4.476 -12.056 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.919 6.574 -13.880 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.721 4.967 -13.484 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.953 7.619 -13.229 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.320 6.534 -13.069 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.534 4.496 -11.207 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.856 3.948 -11.432 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.189 5.448 -10.533 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.299 8.190 -11.269 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.064 6.553 -10.613 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.675 7.654 -10.776 1.00 0.00 H new ATOM 564 N ILE A 35 -4.803 8.361 -12.091 1.00 0.00 N ATOM 565 CA ILE A 35 -4.475 9.412 -11.135 1.00 0.00 C ATOM 566 C ILE A 35 -5.730 9.942 -10.450 1.00 0.00 C ATOM 567 O ILE A 35 -6.711 10.285 -11.110 1.00 0.00 O ATOM 568 CB ILE A 35 -3.741 10.583 -11.814 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.471 10.084 -12.506 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.407 11.661 -10.795 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.529 10.173 -14.015 1.00 0.00 C ATOM 0 H ILE A 35 -5.208 8.697 -12.965 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.817 8.966 -10.389 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.398 11.016 -12.569 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.620 10.664 -12.149 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.293 9.048 -12.218 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.888 12.482 -11.290 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.327 12.033 -10.344 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.766 11.242 -10.019 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.595 9.802 -14.438 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.359 9.570 -14.383 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.675 11.211 -14.313 1.00 0.00 H new ATOM 583 N GLN A 36 -5.691 10.009 -9.123 1.00 0.00 N ATOM 584 CA GLN A 36 -6.825 10.499 -8.349 1.00 0.00 C ATOM 585 C GLN A 36 -6.944 12.016 -8.459 1.00 0.00 C ATOM 586 O GLN A 36 -6.279 12.641 -9.285 1.00 0.00 O ATOM 587 CB GLN A 36 -6.682 10.092 -6.882 1.00 0.00 C ATOM 588 CG GLN A 36 -7.800 9.187 -6.390 1.00 0.00 C ATOM 589 CD GLN A 36 -9.167 9.831 -6.508 1.00 0.00 C ATOM 590 OE1 GLN A 36 -9.616 10.533 -5.601 1.00 0.00 O ATOM 591 NE2 GLN A 36 -9.838 9.596 -7.630 1.00 0.00 N ATOM 0 H GLN A 36 -4.886 9.730 -8.562 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.731 10.051 -8.756 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.728 9.583 -6.746 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.655 10.990 -6.265 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.789 8.259 -6.962 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.616 8.922 -5.349 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.428 9.008 -8.356 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.763 10.003 -7.766 1.00 0.00 H new ATOM 600 N GLU A 37 -7.795 12.600 -7.622 1.00 0.00 N ATOM 601 CA GLU A 37 -8.002 14.043 -7.627 1.00 0.00 C ATOM 602 C GLU A 37 -6.678 14.783 -7.451 1.00 0.00 C ATOM 603 O GLU A 37 -6.468 15.846 -8.033 1.00 0.00 O ATOM 604 CB GLU A 37 -8.974 14.446 -6.516 1.00 0.00 C ATOM 605 CG GLU A 37 -8.686 13.777 -5.183 1.00 0.00 C ATOM 606 CD GLU A 37 -9.083 14.639 -4.000 1.00 0.00 C ATOM 607 OE1 GLU A 37 -9.832 15.617 -4.203 1.00 0.00 O ATOM 608 OE2 GLU A 37 -8.644 14.335 -2.871 1.00 0.00 O ATOM 0 H GLU A 37 -8.352 12.096 -6.932 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.429 14.319 -8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.936 15.528 -6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.989 14.198 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.222 12.829 -5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.623 13.546 -5.119 1.00 0.00 H new ATOM 615 N ASN A 38 -5.790 14.211 -6.644 1.00 0.00 N ATOM 616 CA ASN A 38 -4.488 14.816 -6.391 1.00 0.00 C ATOM 617 C ASN A 38 -3.391 13.755 -6.367 1.00 0.00 C ATOM 618 O ASN A 38 -2.359 13.901 -7.022 1.00 0.00 O ATOM 619 CB ASN A 38 -4.505 15.577 -5.063 1.00 0.00 C ATOM 620 CG ASN A 38 -4.895 14.692 -3.895 1.00 0.00 C ATOM 621 OD1 ASN A 38 -6.075 14.414 -3.680 1.00 0.00 O ATOM 622 ND2 ASN A 38 -3.903 14.246 -3.134 1.00 0.00 N ATOM 0 H ASN A 38 -5.948 13.330 -6.155 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.276 15.515 -7.200 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.519 16.003 -4.879 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.204 16.410 -5.134 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.104 13.647 -2.333 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.940 14.502 -3.350 1.00 0.00 H new ATOM 629 N MET A 39 -3.623 12.689 -5.609 1.00 0.00 N ATOM 630 CA MET A 39 -2.655 11.603 -5.502 1.00 0.00 C ATOM 631 C MET A 39 -2.688 10.721 -6.747 1.00 0.00 C ATOM 632 O MET A 39 -3.568 10.863 -7.596 1.00 0.00 O ATOM 633 CB MET A 39 -2.939 10.759 -4.258 1.00 0.00 C ATOM 634 CG MET A 39 -3.696 9.475 -4.554 1.00 0.00 C ATOM 635 SD MET A 39 -4.543 8.818 -3.104 1.00 0.00 S ATOM 636 CE MET A 39 -3.151 8.428 -2.047 1.00 0.00 C ATOM 0 H MET A 39 -4.472 12.553 -5.060 1.00 0.00 H new ATOM 0 HA MET A 39 -1.661 12.042 -5.415 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.994 10.511 -3.774 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.514 11.354 -3.549 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.425 9.661 -5.343 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.000 8.727 -4.934 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.464 7.722 -1.278 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.354 7.985 -2.644 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.786 9.340 -1.574 1.00 0.00 H new ATOM 646 N ILE A 40 -1.724 9.812 -6.848 1.00 0.00 N ATOM 647 CA ILE A 40 -1.644 8.907 -7.988 1.00 0.00 C ATOM 648 C ILE A 40 -1.827 7.457 -7.553 1.00 0.00 C ATOM 649 O ILE A 40 -1.213 7.007 -6.586 1.00 0.00 O ATOM 650 CB ILE A 40 -0.298 9.045 -8.723 1.00 0.00 C ATOM 651 CG1 ILE A 40 -0.144 10.458 -9.289 1.00 0.00 C ATOM 652 CG2 ILE A 40 -0.191 8.009 -9.832 1.00 0.00 C ATOM 653 CD1 ILE A 40 1.171 10.683 -10.004 1.00 0.00 C ATOM 0 H ILE A 40 -0.988 9.683 -6.154 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.450 9.184 -8.668 1.00 0.00 H new ATOM 0 HB ILE A 40 0.508 8.870 -8.010 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.963 10.655 -9.981 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.234 11.178 -8.476 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.766 8.120 -10.342 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.261 7.009 -9.404 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.002 8.155 -10.546 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.211 11.706 -10.379 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.995 10.519 -9.310 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.255 9.987 -10.839 1.00 0.00 H new ATOM 665 N ILE A 41 -2.674 6.731 -8.275 1.00 0.00 N ATOM 666 CA ILE A 41 -2.935 5.331 -7.966 1.00 0.00 C ATOM 667 C ILE A 41 -2.220 4.409 -8.947 1.00 0.00 C ATOM 668 O ILE A 41 -2.456 4.465 -10.154 1.00 0.00 O ATOM 669 CB ILE A 41 -4.444 5.020 -7.993 1.00 0.00 C ATOM 670 CG1 ILE A 41 -5.183 5.883 -6.968 1.00 0.00 C ATOM 671 CG2 ILE A 41 -4.685 3.543 -7.723 1.00 0.00 C ATOM 672 CD1 ILE A 41 -4.650 5.738 -5.560 1.00 0.00 C ATOM 0 H ILE A 41 -3.191 7.089 -9.078 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.554 5.154 -6.960 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.831 5.255 -8.984 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.114 6.929 -7.268 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.240 5.618 -6.977 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.756 3.339 -7.745 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.186 2.947 -8.487 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.286 3.283 -6.742 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.221 6.378 -4.887 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.744 4.700 -5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.600 6.031 -5.536 1.00 0.00 H new ATOM 684 N PHE A 42 -1.345 3.558 -8.420 1.00 0.00 N ATOM 685 CA PHE A 42 -0.595 2.621 -9.249 1.00 0.00 C ATOM 686 C PHE A 42 -1.219 1.230 -9.198 1.00 0.00 C ATOM 687 O PHE A 42 -1.071 0.507 -8.212 1.00 0.00 O ATOM 688 CB PHE A 42 0.863 2.557 -8.791 1.00 0.00 C ATOM 689 CG PHE A 42 1.691 1.569 -9.562 1.00 0.00 C ATOM 690 CD1 PHE A 42 2.180 1.886 -10.819 1.00 0.00 C ATOM 691 CD2 PHE A 42 1.978 0.322 -9.031 1.00 0.00 C ATOM 692 CE1 PHE A 42 2.943 0.979 -11.531 1.00 0.00 C ATOM 693 CE2 PHE A 42 2.740 -0.589 -9.738 1.00 0.00 C ATOM 694 CZ PHE A 42 3.222 -0.260 -10.990 1.00 0.00 C ATOM 0 H PHE A 42 -1.138 3.498 -7.423 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.629 2.977 -10.279 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.310 3.547 -8.887 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.892 2.296 -7.733 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.963 2.853 -11.248 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.602 0.059 -8.053 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.320 1.239 -12.509 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.958 -1.557 -9.312 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.816 -0.971 -11.545 1.00 0.00 H new ATOM 704 N HIS A 43 -1.917 0.861 -10.267 1.00 0.00 N ATOM 705 CA HIS A 43 -2.563 -0.444 -10.345 1.00 0.00 C ATOM 706 C HIS A 43 -1.756 -1.399 -11.219 1.00 0.00 C ATOM 707 O HIS A 43 -1.929 -2.617 -11.150 1.00 0.00 O ATOM 708 CB HIS A 43 -3.981 -0.303 -10.900 1.00 0.00 C ATOM 709 CG HIS A 43 -4.984 -1.176 -10.211 1.00 0.00 C ATOM 710 ND1 HIS A 43 -6.341 -1.085 -10.437 1.00 0.00 N ATOM 711 CD2 HIS A 43 -4.821 -2.162 -9.299 1.00 0.00 C ATOM 712 CE1 HIS A 43 -6.970 -1.977 -9.691 1.00 0.00 C ATOM 713 NE2 HIS A 43 -6.069 -2.644 -8.992 1.00 0.00 N ATOM 0 H HIS A 43 -2.050 1.447 -11.091 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.614 -0.856 -9.337 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.295 0.737 -10.811 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -3.972 -0.544 -11.963 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -3.883 -2.506 -8.889 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.038 -2.134 -9.659 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.268 -3.395 -8.331 1.00 0.00 H new ATOM 721 N LEU A 44 -0.874 -0.840 -12.040 1.00 0.00 N ATOM 722 CA LEU A 44 -0.040 -1.642 -12.929 1.00 0.00 C ATOM 723 C LEU A 44 0.722 -2.707 -12.146 1.00 0.00 C ATOM 724 O LEU A 44 0.993 -2.542 -10.957 1.00 0.00 O ATOM 725 CB LEU A 44 0.944 -0.746 -13.683 1.00 0.00 C ATOM 726 CG LEU A 44 1.237 -1.141 -15.131 1.00 0.00 C ATOM 727 CD1 LEU A 44 1.429 0.097 -15.993 1.00 0.00 C ATOM 728 CD2 LEU A 44 2.464 -2.038 -15.201 1.00 0.00 C ATOM 0 H LEU A 44 -0.718 0.166 -12.109 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.691 -2.141 -13.647 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.555 0.272 -13.677 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.885 -0.731 -13.134 1.00 0.00 H new ATOM 0 HG LEU A 44 0.383 -1.698 -15.516 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.637 -0.203 -17.020 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.523 0.702 -15.968 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.266 0.681 -15.610 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.658 -2.309 -16.239 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.326 -1.507 -14.798 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.288 -2.941 -14.617 1.00 0.00 H new ATOM 740 N SER A 45 1.065 -3.798 -12.823 1.00 0.00 N ATOM 741 CA SER A 45 1.794 -4.891 -12.190 1.00 0.00 C ATOM 742 C SER A 45 0.973 -5.514 -11.066 1.00 0.00 C ATOM 743 O SER A 45 -0.034 -4.963 -10.620 1.00 0.00 O ATOM 744 CB SER A 45 3.132 -4.391 -11.643 1.00 0.00 C ATOM 745 OG SER A 45 4.218 -4.928 -12.379 1.00 0.00 O ATOM 0 H SER A 45 0.850 -3.949 -13.809 1.00 0.00 H new ATOM 0 HA SER A 45 1.981 -5.654 -12.945 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.162 -3.302 -11.687 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.226 -4.670 -10.594 1.00 0.00 H new ATOM 0 HG SER A 45 5.061 -4.591 -12.010 1.00 0.00 H new ATOM 751 N PRO A 46 1.412 -6.691 -10.595 1.00 0.00 N ATOM 752 CA PRO A 46 0.733 -7.414 -9.516 1.00 0.00 C ATOM 753 C PRO A 46 0.872 -6.713 -8.170 1.00 0.00 C ATOM 754 O PRO A 46 0.284 -7.136 -7.174 1.00 0.00 O ATOM 755 CB PRO A 46 1.449 -8.767 -9.491 1.00 0.00 C ATOM 756 CG PRO A 46 2.799 -8.491 -10.058 1.00 0.00 C ATOM 757 CD PRO A 46 2.605 -7.405 -11.079 1.00 0.00 C ATOM 0 HA PRO A 46 -0.341 -7.487 -9.688 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.518 -9.160 -8.477 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.914 -9.509 -10.084 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.492 -8.175 -9.279 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.221 -9.386 -10.516 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.472 -6.747 -11.135 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.451 -7.815 -12.077 1.00 0.00 H new ATOM 765 N TYR A 47 1.654 -5.639 -8.146 1.00 0.00 N ATOM 766 CA TYR A 47 1.872 -4.879 -6.920 1.00 0.00 C ATOM 767 C TYR A 47 1.181 -3.521 -6.991 1.00 0.00 C ATOM 768 O TYR A 47 1.345 -2.777 -7.958 1.00 0.00 O ATOM 769 CB TYR A 47 3.369 -4.690 -6.673 1.00 0.00 C ATOM 770 CG TYR A 47 4.194 -5.919 -6.981 1.00 0.00 C ATOM 771 CD1 TYR A 47 3.764 -7.183 -6.597 1.00 0.00 C ATOM 772 CD2 TYR A 47 5.404 -5.816 -7.656 1.00 0.00 C ATOM 773 CE1 TYR A 47 4.515 -8.308 -6.876 1.00 0.00 C ATOM 774 CE2 TYR A 47 6.161 -6.936 -7.940 1.00 0.00 C ATOM 775 CZ TYR A 47 5.712 -8.180 -7.548 1.00 0.00 C ATOM 776 OH TYR A 47 6.462 -9.299 -7.828 1.00 0.00 O ATOM 0 H TYR A 47 2.147 -5.275 -8.961 1.00 0.00 H new ATOM 0 HA TYR A 47 1.442 -5.442 -6.092 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.727 -3.860 -7.282 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.524 -4.410 -5.631 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.826 -7.288 -6.071 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.759 -4.844 -7.964 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.166 -9.283 -6.569 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.099 -6.838 -8.466 1.00 0.00 H new ATOM 0 HH TYR A 47 7.276 -9.036 -8.307 1.00 0.00 H new ATOM 786 N TYR A 48 0.407 -3.204 -5.959 1.00 0.00 N ATOM 787 CA TYR A 48 -0.311 -1.936 -5.903 1.00 0.00 C ATOM 788 C TYR A 48 0.492 -0.888 -5.139 1.00 0.00 C ATOM 789 O TYR A 48 1.033 -1.163 -4.067 1.00 0.00 O ATOM 790 CB TYR A 48 -1.677 -2.129 -5.242 1.00 0.00 C ATOM 791 CG TYR A 48 -2.497 -0.861 -5.167 1.00 0.00 C ATOM 792 CD1 TYR A 48 -3.350 -0.499 -6.202 1.00 0.00 C ATOM 793 CD2 TYR A 48 -2.420 -0.025 -4.059 1.00 0.00 C ATOM 794 CE1 TYR A 48 -4.101 0.659 -6.137 1.00 0.00 C ATOM 795 CE2 TYR A 48 -3.168 1.134 -3.985 1.00 0.00 C ATOM 796 CZ TYR A 48 -4.006 1.472 -5.027 1.00 0.00 C ATOM 797 OH TYR A 48 -4.753 2.626 -4.958 1.00 0.00 O ATOM 0 H TYR A 48 0.261 -3.808 -5.150 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.455 -1.584 -6.924 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.237 -2.882 -5.797 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.532 -2.518 -4.234 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.427 -1.134 -7.072 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.764 -0.286 -3.242 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.759 0.926 -6.951 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.097 1.772 -3.116 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.226 2.659 -4.100 1.00 0.00 H new ATOM 807 N LEU A 49 0.565 0.315 -5.698 1.00 0.00 N ATOM 808 CA LEU A 49 1.301 1.407 -5.070 1.00 0.00 C ATOM 809 C LEU A 49 0.437 2.659 -4.970 1.00 0.00 C ATOM 810 O LEU A 49 -0.361 2.948 -5.862 1.00 0.00 O ATOM 811 CB LEU A 49 2.573 1.713 -5.864 1.00 0.00 C ATOM 812 CG LEU A 49 3.822 2.022 -5.037 1.00 0.00 C ATOM 813 CD1 LEU A 49 5.029 2.208 -5.944 1.00 0.00 C ATOM 814 CD2 LEU A 49 3.601 3.259 -4.180 1.00 0.00 C ATOM 0 H LEU A 49 0.124 0.559 -6.585 1.00 0.00 H new ATOM 0 HA LEU A 49 1.575 1.096 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.790 0.860 -6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.374 2.563 -6.517 1.00 0.00 H new ATOM 0 HG LEU A 49 4.016 1.177 -4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.909 2.427 -5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.199 1.295 -6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.845 3.035 -6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.500 3.464 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.382 4.112 -4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.763 3.089 -3.504 1.00 0.00 H new ATOM 826 N ARG A 50 0.603 3.400 -3.879 1.00 0.00 N ATOM 827 CA ARG A 50 -0.162 4.623 -3.663 1.00 0.00 C ATOM 828 C ARG A 50 0.766 5.805 -3.400 1.00 0.00 C ATOM 829 O ARG A 50 1.448 5.858 -2.376 1.00 0.00 O ATOM 830 CB ARG A 50 -1.125 4.446 -2.487 1.00 0.00 C ATOM 831 CG ARG A 50 -2.342 5.354 -2.555 1.00 0.00 C ATOM 832 CD ARG A 50 -3.632 4.552 -2.628 1.00 0.00 C ATOM 833 NE ARG A 50 -4.791 5.341 -2.220 1.00 0.00 N ATOM 834 CZ ARG A 50 -5.136 5.540 -0.953 1.00 0.00 C ATOM 835 NH1 ARG A 50 -4.414 5.010 0.025 1.00 0.00 N ATOM 836 NH2 ARG A 50 -6.205 6.270 -0.662 1.00 0.00 N ATOM 0 H ARG A 50 1.260 3.175 -3.132 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.736 4.827 -4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.458 3.409 -2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.589 4.639 -1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.364 6.001 -1.678 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.265 6.002 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.778 4.193 -3.647 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.549 3.673 -1.989 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.367 5.763 -2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.592 4.448 -0.195 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.681 5.164 0.997 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.763 6.679 -1.412 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.469 6.422 0.311 1.00 0.00 H new ATOM 850 N LEU A 51 0.788 6.752 -4.332 1.00 0.00 N ATOM 851 CA LEU A 51 1.633 7.934 -4.203 1.00 0.00 C ATOM 852 C LEU A 51 0.807 9.152 -3.803 1.00 0.00 C ATOM 853 O LEU A 51 -0.102 9.562 -4.526 1.00 0.00 O ATOM 854 CB LEU A 51 2.365 8.208 -5.517 1.00 0.00 C ATOM 855 CG LEU A 51 3.315 7.111 -5.999 1.00 0.00 C ATOM 856 CD1 LEU A 51 4.048 7.553 -7.256 1.00 0.00 C ATOM 857 CD2 LEU A 51 4.305 6.744 -4.903 1.00 0.00 C ATOM 0 H LEU A 51 0.230 6.724 -5.185 1.00 0.00 H new ATOM 0 HA LEU A 51 2.367 7.743 -3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.621 8.383 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.934 9.131 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 51 2.725 6.226 -6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.719 6.759 -7.584 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.325 7.765 -8.043 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.626 8.452 -7.043 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.973 5.962 -5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.889 7.623 -4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.763 6.384 -4.029 1.00 0.00 H new ATOM 869 N ARG A 52 1.130 9.728 -2.650 1.00 0.00 N ATOM 870 CA ARG A 52 0.419 10.900 -2.155 1.00 0.00 C ATOM 871 C ARG A 52 1.334 12.121 -2.128 1.00 0.00 C ATOM 872 O ARG A 52 2.100 12.314 -1.184 1.00 0.00 O ATOM 873 CB ARG A 52 -0.135 10.634 -0.754 1.00 0.00 C ATOM 874 CG ARG A 52 -0.943 11.790 -0.189 1.00 0.00 C ATOM 875 CD ARG A 52 -2.247 11.983 -0.948 1.00 0.00 C ATOM 876 NE ARG A 52 -3.397 11.488 -0.195 1.00 0.00 N ATOM 877 CZ ARG A 52 -3.877 12.085 0.890 1.00 0.00 C ATOM 878 NH1 ARG A 52 -3.310 13.193 1.347 1.00 0.00 N ATOM 879 NH2 ARG A 52 -4.927 11.574 1.520 1.00 0.00 N ATOM 0 H ARG A 52 1.880 9.402 -2.041 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.410 11.103 -2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.763 9.743 -0.784 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.694 10.417 -0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.158 11.605 0.864 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.353 12.705 -0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.386 13.042 -1.167 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.190 11.464 -1.905 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.856 10.637 -0.520 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.503 13.589 0.865 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.681 13.649 2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.366 10.722 1.171 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.295 12.033 2.353 1.00 0.00 H new ATOM 893 N PHE A 53 1.249 12.941 -3.170 1.00 0.00 N ATOM 894 CA PHE A 53 2.071 14.142 -3.267 1.00 0.00 C ATOM 895 C PHE A 53 1.413 15.311 -2.540 1.00 0.00 C ATOM 896 O PHE A 53 0.200 15.344 -2.336 1.00 0.00 O ATOM 897 CB PHE A 53 2.308 14.507 -4.734 1.00 0.00 C ATOM 898 CG PHE A 53 2.903 13.389 -5.541 1.00 0.00 C ATOM 899 CD1 PHE A 53 3.721 12.444 -4.943 1.00 0.00 C ATOM 900 CD2 PHE A 53 2.645 13.283 -6.898 1.00 0.00 C ATOM 901 CE1 PHE A 53 4.271 11.415 -5.684 1.00 0.00 C ATOM 902 CE2 PHE A 53 3.191 12.256 -7.644 1.00 0.00 C ATOM 903 CZ PHE A 53 4.004 11.320 -7.036 1.00 0.00 C ATOM 0 H PHE A 53 0.619 12.796 -3.959 1.00 0.00 H new ATOM 0 HA PHE A 53 3.030 13.935 -2.792 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.361 14.805 -5.184 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.970 15.372 -4.783 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.931 12.512 -3.886 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.009 14.012 -7.379 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.909 10.686 -5.206 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.982 12.185 -8.701 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.430 10.515 -7.616 1.00 0.00 H new ATOM 913 N PRO A 54 2.233 16.294 -2.138 1.00 0.00 N ATOM 914 CA PRO A 54 1.754 17.483 -1.427 1.00 0.00 C ATOM 915 C PRO A 54 0.931 18.402 -2.324 1.00 0.00 C ATOM 916 O PRO A 54 0.348 19.382 -1.858 1.00 0.00 O ATOM 917 CB PRO A 54 3.045 18.179 -0.990 1.00 0.00 C ATOM 918 CG PRO A 54 4.071 17.725 -1.970 1.00 0.00 C ATOM 919 CD PRO A 54 3.690 16.320 -2.347 1.00 0.00 C ATOM 0 HA PRO A 54 1.092 17.225 -0.600 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.935 19.263 -1.006 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.319 17.901 0.028 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.088 18.373 -2.846 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.069 17.755 -1.532 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.952 16.097 -3.381 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.199 15.585 -1.724 1.00 0.00 H new ATOM 927 N HIS A 55 0.888 18.080 -3.613 1.00 0.00 N ATOM 928 CA HIS A 55 0.135 18.877 -4.575 1.00 0.00 C ATOM 929 C HIS A 55 -0.987 18.054 -5.202 1.00 0.00 C ATOM 930 O HIS A 55 -1.236 16.919 -4.798 1.00 0.00 O ATOM 931 CB HIS A 55 1.064 19.409 -5.667 1.00 0.00 C ATOM 932 CG HIS A 55 2.117 20.343 -5.154 1.00 0.00 C ATOM 933 ND1 HIS A 55 1.921 21.701 -5.026 1.00 0.00 N ATOM 934 CD2 HIS A 55 3.382 20.106 -4.734 1.00 0.00 C ATOM 935 CE1 HIS A 55 3.020 22.260 -4.552 1.00 0.00 C ATOM 936 NE2 HIS A 55 3.922 21.313 -4.366 1.00 0.00 N ATOM 0 H HIS A 55 1.365 17.273 -4.015 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.309 19.719 -4.044 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.547 18.567 -6.164 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.468 19.925 -6.420 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.875 19.146 -4.696 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.158 23.312 -4.351 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.866 21.456 -4.007 1.00 0.00 H new ATOM 944 N GLU A 56 -1.659 18.636 -6.190 1.00 0.00 N ATOM 945 CA GLU A 56 -2.755 17.956 -6.871 1.00 0.00 C ATOM 946 C GLU A 56 -2.478 17.840 -8.367 1.00 0.00 C ATOM 947 O GLU A 56 -2.258 18.842 -9.049 1.00 0.00 O ATOM 948 CB GLU A 56 -4.070 18.704 -6.641 1.00 0.00 C ATOM 949 CG GLU A 56 -3.917 20.216 -6.633 1.00 0.00 C ATOM 950 CD GLU A 56 -5.242 20.936 -6.471 1.00 0.00 C ATOM 951 OE1 GLU A 56 -6.227 20.283 -6.070 1.00 0.00 O ATOM 952 OE2 GLU A 56 -5.292 22.153 -6.745 1.00 0.00 O ATOM 0 H GLU A 56 -1.464 19.575 -6.537 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.839 16.952 -6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.779 18.423 -7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.498 18.386 -5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.249 20.505 -5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.446 20.535 -7.563 1.00 0.00 H new ATOM 959 N LEU A 57 -2.490 16.611 -8.871 1.00 0.00 N ATOM 960 CA LEU A 57 -2.239 16.363 -10.287 1.00 0.00 C ATOM 961 C LEU A 57 -3.547 16.142 -11.041 1.00 0.00 C ATOM 962 O LEU A 57 -4.616 16.054 -10.436 1.00 0.00 O ATOM 963 CB LEU A 57 -1.327 15.146 -10.458 1.00 0.00 C ATOM 964 CG LEU A 57 -0.110 15.085 -9.534 1.00 0.00 C ATOM 965 CD1 LEU A 57 0.170 13.650 -9.115 1.00 0.00 C ATOM 966 CD2 LEU A 57 1.108 15.691 -10.215 1.00 0.00 C ATOM 0 H LEU A 57 -2.671 15.771 -8.321 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.745 17.241 -10.703 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.922 14.246 -10.302 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.977 15.122 -11.490 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.328 15.668 -8.639 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.039 13.626 -8.458 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.695 13.250 -8.587 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.367 13.045 -10.000 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.964 15.639 -9.543 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.328 15.136 -11.127 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.905 16.733 -10.464 1.00 0.00 H new ATOM 978 N ILE A 58 -3.453 16.052 -12.363 1.00 0.00 N ATOM 979 CA ILE A 58 -4.628 15.838 -13.199 1.00 0.00 C ATOM 980 C ILE A 58 -4.363 14.773 -14.257 1.00 0.00 C ATOM 981 O ILE A 58 -3.268 14.695 -14.814 1.00 0.00 O ATOM 982 CB ILE A 58 -5.068 17.140 -13.895 1.00 0.00 C ATOM 983 CG1 ILE A 58 -6.273 16.877 -14.801 1.00 0.00 C ATOM 984 CG2 ILE A 58 -3.915 17.728 -14.695 1.00 0.00 C ATOM 985 CD1 ILE A 58 -6.880 18.136 -15.379 1.00 0.00 C ATOM 0 H ILE A 58 -2.576 16.124 -12.878 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.428 15.500 -12.540 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.361 17.862 -13.133 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.968 16.223 -15.617 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.035 16.344 -14.233 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.241 18.648 -15.181 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.082 17.947 -14.026 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.594 17.012 -15.451 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.729 17.874 -16.011 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.217 18.783 -14.569 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.133 18.660 -15.975 1.00 0.00 H new ATOM 997 N ASP A 59 -5.374 13.956 -14.531 1.00 0.00 N ATOM 998 CA ASP A 59 -5.252 12.896 -15.526 1.00 0.00 C ATOM 999 C ASP A 59 -5.876 13.321 -16.852 1.00 0.00 C ATOM 1000 O ASP A 59 -7.092 13.245 -17.029 1.00 0.00 O ATOM 1001 CB ASP A 59 -5.919 11.615 -15.022 1.00 0.00 C ATOM 1002 CG ASP A 59 -6.288 10.672 -16.150 1.00 0.00 C ATOM 1003 OD1 ASP A 59 -5.393 9.950 -16.636 1.00 0.00 O ATOM 1004 OD2 ASP A 59 -7.472 10.657 -16.547 1.00 0.00 O ATOM 0 H ASP A 59 -6.287 14.007 -14.079 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.191 12.705 -15.689 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.246 11.106 -14.332 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.816 11.873 -14.460 1.00 0.00 H new ATOM 1009 N ASP A 60 -5.036 13.768 -17.778 1.00 0.00 N ATOM 1010 CA ASP A 60 -5.505 14.205 -19.088 1.00 0.00 C ATOM 1011 C ASP A 60 -5.112 13.202 -20.168 1.00 0.00 C ATOM 1012 O ASP A 60 -4.696 12.084 -19.868 1.00 0.00 O ATOM 1013 CB ASP A 60 -4.934 15.584 -19.424 1.00 0.00 C ATOM 1014 CG ASP A 60 -5.977 16.516 -20.008 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -6.963 16.014 -20.586 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -5.806 17.748 -19.889 1.00 0.00 O ATOM 0 H ASP A 60 -4.027 13.837 -17.646 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.593 14.269 -19.054 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.516 16.031 -18.522 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.114 15.471 -20.133 1.00 0.00 H new ATOM 1021 N GLU A 61 -5.250 13.610 -21.426 1.00 0.00 N ATOM 1022 CA GLU A 61 -4.911 12.745 -22.550 1.00 0.00 C ATOM 1023 C GLU A 61 -3.400 12.571 -22.667 1.00 0.00 C ATOM 1024 O GLU A 61 -2.919 11.571 -23.200 1.00 0.00 O ATOM 1025 CB GLU A 61 -5.471 13.322 -23.852 1.00 0.00 C ATOM 1026 CG GLU A 61 -5.073 14.768 -24.098 1.00 0.00 C ATOM 1027 CD GLU A 61 -5.143 15.150 -25.564 1.00 0.00 C ATOM 1028 OE1 GLU A 61 -4.798 14.305 -26.416 1.00 0.00 O ATOM 1029 OE2 GLU A 61 -5.543 16.296 -25.859 1.00 0.00 O ATOM 0 H GLU A 61 -5.594 14.533 -21.692 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.359 11.767 -22.371 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.127 12.712 -24.687 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.559 13.252 -23.833 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.727 15.424 -23.524 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.059 14.929 -23.732 1.00 0.00 H new ATOM 1036 N ARG A 62 -2.657 13.552 -22.165 1.00 0.00 N ATOM 1037 CA ARG A 62 -1.200 13.508 -22.214 1.00 0.00 C ATOM 1038 C ARG A 62 -0.652 12.503 -21.205 1.00 0.00 C ATOM 1039 O ARG A 62 0.381 11.876 -21.437 1.00 0.00 O ATOM 1040 CB ARG A 62 -0.618 14.895 -21.935 1.00 0.00 C ATOM 1041 CG ARG A 62 -1.195 15.561 -20.697 1.00 0.00 C ATOM 1042 CD ARG A 62 -1.965 16.823 -21.050 1.00 0.00 C ATOM 1043 NE ARG A 62 -1.126 18.016 -20.975 1.00 0.00 N ATOM 1044 CZ ARG A 62 -0.567 18.589 -22.035 1.00 0.00 C ATOM 1045 NH1 ARG A 62 -0.758 18.081 -23.245 1.00 0.00 N ATOM 1046 NH2 ARG A 62 0.184 19.673 -21.886 1.00 0.00 N ATOM 0 H ARG A 62 -3.039 14.386 -21.720 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.904 13.191 -23.214 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.463 14.810 -21.821 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.798 15.535 -22.799 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.855 14.863 -20.182 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.389 15.807 -20.006 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.372 16.729 -22.057 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.812 16.932 -20.372 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.960 18.432 -20.059 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.335 17.248 -23.363 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.328 18.523 -24.057 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.332 20.067 -20.957 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.613 20.112 -22.701 1.00 0.00 H new ATOM 1060 N SER A 63 -1.352 12.355 -20.084 1.00 0.00 N ATOM 1061 CA SER A 63 -0.933 11.430 -19.038 1.00 0.00 C ATOM 1062 C SER A 63 -0.971 9.989 -19.540 1.00 0.00 C ATOM 1063 O SER A 63 -1.951 9.556 -20.147 1.00 0.00 O ATOM 1064 CB SER A 63 -1.830 11.578 -17.808 1.00 0.00 C ATOM 1065 OG SER A 63 -1.505 10.615 -16.820 1.00 0.00 O ATOM 0 H SER A 63 -2.212 12.864 -19.877 1.00 0.00 H new ATOM 0 HA SER A 63 0.093 11.673 -18.762 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.721 12.580 -17.393 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.874 11.466 -18.100 1.00 0.00 H new ATOM 0 HG SER A 63 -0.531 10.550 -16.734 1.00 0.00 H new ATOM 1071 N THR A 64 0.103 9.251 -19.282 1.00 0.00 N ATOM 1072 CA THR A 64 0.195 7.860 -19.707 1.00 0.00 C ATOM 1073 C THR A 64 1.483 7.216 -19.208 1.00 0.00 C ATOM 1074 O THR A 64 2.436 7.908 -18.851 1.00 0.00 O ATOM 1075 CB THR A 64 0.133 7.736 -21.241 1.00 0.00 C ATOM 1076 OG1 THR A 64 0.217 6.359 -21.626 1.00 0.00 O ATOM 1077 CG2 THR A 64 1.263 8.519 -21.893 1.00 0.00 C ATOM 0 H THR A 64 0.922 9.594 -18.780 1.00 0.00 H new ATOM 0 HA THR A 64 -0.659 7.340 -19.273 1.00 0.00 H new ATOM 0 HB THR A 64 -0.817 8.150 -21.578 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.175 6.289 -22.603 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.199 8.417 -22.976 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.180 9.572 -21.622 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.221 8.130 -21.548 1.00 0.00 H new ATOM 1085 N ALA A 65 1.506 5.887 -19.187 1.00 0.00 N ATOM 1086 CA ALA A 65 2.679 5.150 -18.734 1.00 0.00 C ATOM 1087 C ALA A 65 3.193 4.215 -19.823 1.00 0.00 C ATOM 1088 O ALA A 65 2.410 3.606 -20.551 1.00 0.00 O ATOM 1089 CB ALA A 65 2.354 4.365 -17.471 1.00 0.00 C ATOM 0 H ALA A 65 0.725 5.299 -19.479 1.00 0.00 H new ATOM 0 HA ALA A 65 3.466 5.870 -18.508 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.239 3.819 -17.144 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.041 5.053 -16.686 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.549 3.660 -17.678 1.00 0.00 H new ATOM 1095 N GLN A 66 4.514 4.106 -19.928 1.00 0.00 N ATOM 1096 CA GLN A 66 5.132 3.246 -20.930 1.00 0.00 C ATOM 1097 C GLN A 66 6.061 2.229 -20.275 1.00 0.00 C ATOM 1098 O GLN A 66 6.826 2.564 -19.370 1.00 0.00 O ATOM 1099 CB GLN A 66 5.910 4.085 -21.944 1.00 0.00 C ATOM 1100 CG GLN A 66 5.083 5.192 -22.579 1.00 0.00 C ATOM 1101 CD GLN A 66 5.940 6.282 -23.192 1.00 0.00 C ATOM 1102 OE1 GLN A 66 6.990 6.009 -23.775 1.00 0.00 O ATOM 1103 NE2 GLN A 66 5.496 7.527 -23.064 1.00 0.00 N ATOM 0 H GLN A 66 5.176 4.602 -19.332 1.00 0.00 H new ATOM 0 HA GLN A 66 4.339 2.707 -21.448 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.775 4.527 -21.450 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.290 3.431 -22.729 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.440 4.764 -23.349 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.429 5.630 -21.825 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.620 7.708 -22.573 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.030 8.302 -23.457 1.00 0.00 H new ATOM 1112 N TYR A 67 5.989 0.986 -20.737 1.00 0.00 N ATOM 1113 CA TYR A 67 6.821 -0.081 -20.195 1.00 0.00 C ATOM 1114 C TYR A 67 8.176 -0.125 -20.895 1.00 0.00 C ATOM 1115 O TYR A 67 8.251 -0.182 -22.123 1.00 0.00 O ATOM 1116 CB TYR A 67 6.116 -1.431 -20.339 1.00 0.00 C ATOM 1117 CG TYR A 67 7.013 -2.616 -20.062 1.00 0.00 C ATOM 1118 CD1 TYR A 67 7.922 -2.593 -19.010 1.00 0.00 C ATOM 1119 CD2 TYR A 67 6.953 -3.758 -20.851 1.00 0.00 C ATOM 1120 CE1 TYR A 67 8.744 -3.673 -18.754 1.00 0.00 C ATOM 1121 CE2 TYR A 67 7.771 -4.843 -20.601 1.00 0.00 C ATOM 1122 CZ TYR A 67 8.664 -4.796 -19.551 1.00 0.00 C ATOM 1123 OH TYR A 67 9.481 -5.874 -19.299 1.00 0.00 O ATOM 0 H TYR A 67 5.362 0.692 -21.486 1.00 0.00 H new ATOM 0 HA TYR A 67 6.985 0.124 -19.137 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.266 -1.462 -19.657 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.717 -1.517 -21.350 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.986 -1.716 -18.383 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.255 -3.798 -21.674 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.446 -3.638 -17.934 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.711 -5.723 -21.224 1.00 0.00 H new ATOM 0 HH TYR A 67 9.298 -6.583 -19.951 1.00 0.00 H new ATOM 1133 N ASP A 68 9.244 -0.099 -20.106 1.00 0.00 N ATOM 1134 CA ASP A 68 10.597 -0.138 -20.649 1.00 0.00 C ATOM 1135 C ASP A 68 11.223 -1.515 -20.451 1.00 0.00 C ATOM 1136 O ASP A 68 11.396 -1.972 -19.321 1.00 0.00 O ATOM 1137 CB ASP A 68 11.466 0.932 -19.985 1.00 0.00 C ATOM 1138 CG ASP A 68 11.616 2.171 -20.845 1.00 0.00 C ATOM 1139 OD1 ASP A 68 10.818 2.338 -21.792 1.00 0.00 O ATOM 1140 OD2 ASP A 68 12.531 2.976 -20.571 1.00 0.00 O ATOM 0 H ASP A 68 9.199 -0.051 -19.088 1.00 0.00 H new ATOM 0 HA ASP A 68 10.539 0.064 -21.719 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.027 1.209 -19.027 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.452 0.517 -19.776 1.00 0.00 H new ATOM 1145 N SER A 69 11.559 -2.171 -21.557 1.00 0.00 N ATOM 1146 CA SER A 69 12.161 -3.498 -21.505 1.00 0.00 C ATOM 1147 C SER A 69 13.676 -3.401 -21.351 1.00 0.00 C ATOM 1148 O SER A 69 14.291 -4.192 -20.636 1.00 0.00 O ATOM 1149 CB SER A 69 11.815 -4.288 -22.769 1.00 0.00 C ATOM 1150 OG SER A 69 12.223 -3.592 -23.933 1.00 0.00 O ATOM 0 H SER A 69 11.425 -1.805 -22.500 1.00 0.00 H new ATOM 0 HA SER A 69 11.757 -4.020 -20.637 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.300 -5.264 -22.736 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.741 -4.467 -22.807 1.00 0.00 H new ATOM 0 HG SER A 69 11.992 -4.118 -24.727 1.00 0.00 H new ATOM 1156 N LYS A 70 14.272 -2.426 -22.029 1.00 0.00 N ATOM 1157 CA LYS A 70 15.715 -2.223 -21.968 1.00 0.00 C ATOM 1158 C LYS A 70 16.192 -2.140 -20.522 1.00 0.00 C ATOM 1159 O LYS A 70 17.323 -2.514 -20.209 1.00 0.00 O ATOM 1160 CB LYS A 70 16.103 -0.947 -22.719 1.00 0.00 C ATOM 1161 CG LYS A 70 15.390 0.296 -22.215 1.00 0.00 C ATOM 1162 CD LYS A 70 16.240 1.059 -21.213 1.00 0.00 C ATOM 1163 CE LYS A 70 15.411 2.067 -20.431 1.00 0.00 C ATOM 1164 NZ LYS A 70 15.343 3.384 -21.122 1.00 0.00 N ATOM 0 H LYS A 70 13.778 -1.764 -22.627 1.00 0.00 H new ATOM 0 HA LYS A 70 16.198 -3.077 -22.442 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.179 -0.798 -22.633 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.883 -1.078 -23.778 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.149 0.945 -23.057 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.446 0.012 -21.751 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.708 0.357 -20.522 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.045 1.576 -21.736 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.403 1.678 -20.292 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.842 2.199 -19.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.921 4.077 -20.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.705 3.286 -22.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.356 3.710 -21.152 1.00 0.00 H new ATOM 1178 N ASP A 71 15.325 -1.648 -19.645 1.00 0.00 N ATOM 1179 CA ASP A 71 15.657 -1.518 -18.231 1.00 0.00 C ATOM 1180 C ASP A 71 14.702 -2.340 -17.370 1.00 0.00 C ATOM 1181 O ASP A 71 14.907 -2.485 -16.165 1.00 0.00 O ATOM 1182 CB ASP A 71 15.611 -0.050 -17.807 1.00 0.00 C ATOM 1183 CG ASP A 71 15.993 0.146 -16.353 1.00 0.00 C ATOM 1184 OD1 ASP A 71 16.767 -0.682 -15.826 1.00 0.00 O ATOM 1185 OD2 ASP A 71 15.520 1.126 -15.742 1.00 0.00 O ATOM 0 H ASP A 71 14.386 -1.332 -19.888 1.00 0.00 H new ATOM 0 HA ASP A 71 16.668 -1.898 -18.084 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.286 0.528 -18.438 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.607 0.341 -17.972 1.00 0.00 H new ATOM 1190 N GLU A 72 13.659 -2.874 -17.997 1.00 0.00 N ATOM 1191 CA GLU A 72 12.672 -3.679 -17.288 1.00 0.00 C ATOM 1192 C GLU A 72 11.952 -2.848 -16.230 1.00 0.00 C ATOM 1193 O GLU A 72 11.442 -3.385 -15.245 1.00 0.00 O ATOM 1194 CB GLU A 72 13.343 -4.888 -16.633 1.00 0.00 C ATOM 1195 CG GLU A 72 14.280 -5.642 -17.562 1.00 0.00 C ATOM 1196 CD GLU A 72 15.742 -5.385 -17.251 1.00 0.00 C ATOM 1197 OE1 GLU A 72 16.108 -5.410 -16.057 1.00 0.00 O ATOM 1198 OE2 GLU A 72 16.519 -5.161 -18.202 1.00 0.00 O ATOM 0 H GLU A 72 13.476 -2.764 -18.994 1.00 0.00 H new ATOM 0 HA GLU A 72 11.937 -4.029 -18.013 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.903 -4.553 -15.760 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.572 -5.571 -16.275 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.079 -6.711 -17.486 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.075 -5.352 -18.592 1.00 0.00 H new ATOM 1205 N CYS A 73 11.914 -1.537 -16.440 1.00 0.00 N ATOM 1206 CA CYS A 73 11.257 -0.631 -15.504 1.00 0.00 C ATOM 1207 C CYS A 73 9.980 -0.057 -16.109 1.00 0.00 C ATOM 1208 O CYS A 73 9.725 -0.208 -17.304 1.00 0.00 O ATOM 1209 CB CYS A 73 12.205 0.503 -15.111 1.00 0.00 C ATOM 1210 SG CYS A 73 12.531 1.687 -16.438 1.00 0.00 S ATOM 0 H CYS A 73 12.330 -1.077 -17.250 1.00 0.00 H new ATOM 0 HA CYS A 73 10.991 -1.198 -14.612 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.783 1.036 -14.259 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.151 0.073 -14.782 1.00 0.00 H new ATOM 0 HG CYS A 73 13.815 1.823 -16.593 1.00 0.00 H new ATOM 1216 N ILE A 74 9.182 0.601 -15.276 1.00 0.00 N ATOM 1217 CA ILE A 74 7.931 1.198 -15.729 1.00 0.00 C ATOM 1218 C ILE A 74 7.967 2.716 -15.598 1.00 0.00 C ATOM 1219 O ILE A 74 8.369 3.251 -14.566 1.00 0.00 O ATOM 1220 CB ILE A 74 6.728 0.654 -14.935 1.00 0.00 C ATOM 1221 CG1 ILE A 74 6.693 -0.874 -15.004 1.00 0.00 C ATOM 1222 CG2 ILE A 74 5.431 1.244 -15.469 1.00 0.00 C ATOM 1223 CD1 ILE A 74 6.383 -1.410 -16.384 1.00 0.00 C ATOM 0 H ILE A 74 9.379 0.735 -14.284 1.00 0.00 H new ATOM 0 HA ILE A 74 7.815 0.929 -16.779 1.00 0.00 H new ATOM 0 HB ILE A 74 6.836 0.949 -13.891 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.657 -1.266 -14.679 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.945 -1.244 -14.303 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.590 0.850 -14.898 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.458 2.329 -15.373 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.314 0.975 -16.519 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.375 -2.500 -16.358 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.406 -1.047 -16.704 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.144 -1.070 -17.086 1.00 0.00 H new ATOM 1235 N ASN A 75 7.542 3.406 -16.652 1.00 0.00 N ATOM 1236 CA ASN A 75 7.525 4.864 -16.655 1.00 0.00 C ATOM 1237 C ASN A 75 6.094 5.391 -16.611 1.00 0.00 C ATOM 1238 O ASN A 75 5.266 5.041 -17.452 1.00 0.00 O ATOM 1239 CB ASN A 75 8.240 5.401 -17.896 1.00 0.00 C ATOM 1240 CG ASN A 75 9.565 4.706 -18.147 1.00 0.00 C ATOM 1241 OD1 ASN A 75 9.510 3.537 -18.774 1.00 0.00 O flip ATOM 1242 ND2 ASN A 75 10.624 5.215 -17.780 1.00 0.00 N flip ATOM 0 H ASN A 75 7.205 2.979 -17.515 1.00 0.00 H new ATOM 0 HA ASN A 75 8.049 5.210 -15.764 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.596 5.274 -18.766 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.411 6.471 -17.779 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.618 6.116 -17.301 1.00 0.00 H new ATOM 0 HD22 ASN A 75 11.507 4.736 -17.955 1.00 0.00 H new ATOM 1249 N VAL A 76 5.810 6.236 -15.624 1.00 0.00 N ATOM 1250 CA VAL A 76 4.480 6.813 -15.471 1.00 0.00 C ATOM 1251 C VAL A 76 4.511 8.325 -15.666 1.00 0.00 C ATOM 1252 O VAL A 76 5.299 9.028 -15.032 1.00 0.00 O ATOM 1253 CB VAL A 76 3.888 6.497 -14.084 1.00 0.00 C ATOM 1254 CG1 VAL A 76 2.443 6.966 -14.001 1.00 0.00 C ATOM 1255 CG2 VAL A 76 3.992 5.009 -13.787 1.00 0.00 C ATOM 0 H VAL A 76 6.483 6.536 -14.919 1.00 0.00 H new ATOM 0 HA VAL A 76 3.849 6.364 -16.238 1.00 0.00 H new ATOM 0 HB VAL A 76 4.464 7.035 -13.331 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.041 6.734 -13.014 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.400 8.042 -14.167 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.851 6.458 -14.762 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.569 4.804 -12.804 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.442 4.448 -14.543 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.039 4.707 -13.802 1.00 0.00 H new ATOM 1265 N LYS A 77 3.649 8.820 -16.547 1.00 0.00 N ATOM 1266 CA LYS A 77 3.574 10.249 -16.826 1.00 0.00 C ATOM 1267 C LYS A 77 2.264 10.837 -16.311 1.00 0.00 C ATOM 1268 O LYS A 77 1.210 10.208 -16.406 1.00 0.00 O ATOM 1269 CB LYS A 77 3.704 10.504 -18.329 1.00 0.00 C ATOM 1270 CG LYS A 77 3.902 11.967 -18.683 1.00 0.00 C ATOM 1271 CD LYS A 77 2.946 12.410 -19.778 1.00 0.00 C ATOM 1272 CE LYS A 77 3.690 12.771 -21.055 1.00 0.00 C ATOM 1273 NZ LYS A 77 3.030 13.888 -21.785 1.00 0.00 N ATOM 0 H LYS A 77 2.991 8.252 -17.081 1.00 0.00 H new ATOM 0 HA LYS A 77 4.399 10.738 -16.308 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.545 9.928 -18.715 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.809 10.136 -18.830 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.750 12.581 -17.795 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.930 12.128 -19.009 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.233 11.612 -19.984 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.371 13.270 -19.435 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.715 13.052 -20.811 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.745 11.896 -21.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.672 14.250 -22.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.155 13.543 -22.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.801 14.652 -21.117 1.00 0.00 H new ATOM 1287 N VAL A 78 2.338 12.047 -15.765 1.00 0.00 N ATOM 1288 CA VAL A 78 1.157 12.720 -15.238 1.00 0.00 C ATOM 1289 C VAL A 78 1.346 14.233 -15.228 1.00 0.00 C ATOM 1290 O VAL A 78 2.331 14.743 -14.696 1.00 0.00 O ATOM 1291 CB VAL A 78 0.831 12.246 -13.809 1.00 0.00 C ATOM 1292 CG1 VAL A 78 2.056 12.363 -12.915 1.00 0.00 C ATOM 1293 CG2 VAL A 78 -0.334 13.038 -13.238 1.00 0.00 C ATOM 0 H VAL A 78 3.203 12.581 -15.676 1.00 0.00 H new ATOM 0 HA VAL A 78 0.327 12.464 -15.896 1.00 0.00 H new ATOM 0 HB VAL A 78 0.541 11.196 -13.850 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.806 12.024 -11.910 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.860 11.746 -13.317 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.381 13.403 -12.877 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.550 12.690 -12.228 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.075 14.096 -13.209 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.213 12.897 -13.867 1.00 0.00 H new ATOM 1303 N ALA A 79 0.394 14.946 -15.821 1.00 0.00 N ATOM 1304 CA ALA A 79 0.453 16.401 -15.879 1.00 0.00 C ATOM 1305 C ALA A 79 -0.040 17.023 -14.577 1.00 0.00 C ATOM 1306 O ALA A 79 -0.886 16.454 -13.886 1.00 0.00 O ATOM 1307 CB ALA A 79 -0.363 16.917 -17.055 1.00 0.00 C ATOM 0 H ALA A 79 -0.428 14.539 -16.268 1.00 0.00 H new ATOM 0 HA ALA A 79 1.494 16.692 -16.019 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.309 18.005 -17.085 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.037 16.508 -17.983 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.402 16.608 -16.940 1.00 0.00 H new ATOM 1313 N LYS A 80 0.493 18.195 -14.247 1.00 0.00 N ATOM 1314 CA LYS A 80 0.106 18.895 -13.028 1.00 0.00 C ATOM 1315 C LYS A 80 -0.968 19.939 -13.317 1.00 0.00 C ATOM 1316 O LYS A 80 -1.285 20.213 -14.475 1.00 0.00 O ATOM 1317 CB LYS A 80 1.326 19.566 -12.392 1.00 0.00 C ATOM 1318 CG LYS A 80 2.403 18.586 -11.959 1.00 0.00 C ATOM 1319 CD LYS A 80 3.378 18.294 -13.087 1.00 0.00 C ATOM 1320 CE LYS A 80 4.707 19.002 -12.872 1.00 0.00 C ATOM 1321 NZ LYS A 80 4.533 20.472 -12.711 1.00 0.00 N ATOM 0 H LYS A 80 1.194 18.680 -14.807 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.303 18.162 -12.332 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.754 20.272 -13.104 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.002 20.143 -11.526 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.945 18.993 -11.105 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.939 17.657 -11.628 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.544 17.219 -13.157 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.945 18.612 -14.035 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.196 18.595 -11.987 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.365 18.805 -13.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.339 20.861 -12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.485 20.921 -13.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.653 20.662 -12.190 1.00 0.00 H new ATOM 1335 N LEU A 81 -1.523 20.519 -12.259 1.00 0.00 N ATOM 1336 CA LEU A 81 -2.561 21.534 -12.399 1.00 0.00 C ATOM 1337 C LEU A 81 -1.952 22.893 -12.727 1.00 0.00 C ATOM 1338 O LEU A 81 -2.645 23.800 -13.187 1.00 0.00 O ATOM 1339 CB LEU A 81 -3.387 21.629 -11.115 1.00 0.00 C ATOM 1340 CG LEU A 81 -4.305 20.442 -10.818 1.00 0.00 C ATOM 1341 CD1 LEU A 81 -5.110 20.694 -9.553 1.00 0.00 C ATOM 1342 CD2 LEU A 81 -5.230 20.177 -11.997 1.00 0.00 C ATOM 0 H LEU A 81 -1.272 20.304 -11.294 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.213 21.240 -13.221 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.703 21.753 -10.275 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.997 22.531 -11.165 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.687 19.558 -10.660 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.757 19.839 -9.357 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.431 20.835 -8.712 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.719 21.589 -9.682 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.876 19.329 -11.769 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.842 21.059 -12.185 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.636 19.952 -12.882 1.00 0.00 H new ATOM 1354 N ASN A 82 -0.651 23.026 -12.489 1.00 0.00 N ATOM 1355 CA ASN A 82 0.052 24.275 -12.761 1.00 0.00 C ATOM 1356 C ASN A 82 1.455 24.004 -13.295 1.00 0.00 C ATOM 1357 O ASN A 82 2.257 23.327 -12.650 1.00 0.00 O ATOM 1358 CB ASN A 82 0.132 25.126 -11.492 1.00 0.00 C ATOM 1359 CG ASN A 82 -1.124 25.026 -10.648 1.00 0.00 C ATOM 1360 OD1 ASN A 82 -2.003 25.885 -10.719 1.00 0.00 O ATOM 1361 ND2 ASN A 82 -1.214 23.973 -9.844 1.00 0.00 N ATOM 0 H ASN A 82 -0.062 22.285 -12.109 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.508 24.820 -13.521 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.991 24.810 -10.900 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.300 26.167 -11.766 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -2.036 23.852 -9.253 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.461 23.286 -9.818 1.00 0.00 H new ATOM 1368 N LYS A 83 1.746 24.537 -14.476 1.00 0.00 N ATOM 1369 CA LYS A 83 3.052 24.356 -15.097 1.00 0.00 C ATOM 1370 C LYS A 83 4.145 25.032 -14.275 1.00 0.00 C ATOM 1371 O LYS A 83 3.861 25.868 -13.418 1.00 0.00 O ATOM 1372 CB LYS A 83 3.047 24.921 -16.520 1.00 0.00 C ATOM 1373 CG LYS A 83 4.142 24.352 -17.405 1.00 0.00 C ATOM 1374 CD LYS A 83 3.718 24.314 -18.863 1.00 0.00 C ATOM 1375 CE LYS A 83 4.459 23.231 -19.631 1.00 0.00 C ATOM 1376 NZ LYS A 83 4.642 23.593 -21.064 1.00 0.00 N ATOM 0 H LYS A 83 1.094 25.099 -15.023 1.00 0.00 H new ATOM 0 HA LYS A 83 3.261 23.287 -15.138 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.079 24.719 -16.979 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.157 26.004 -16.472 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.044 24.956 -17.303 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.393 23.345 -17.072 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.644 24.136 -18.926 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.908 25.283 -19.324 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.433 23.062 -19.172 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.907 22.294 -19.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.151 22.829 -21.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.712 23.729 -21.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.191 24.474 -21.132 1.00 0.00 H new ATOM 1390 N ASN A 84 5.394 24.666 -14.543 1.00 0.00 N ATOM 1391 CA ASN A 84 6.529 25.239 -13.829 1.00 0.00 C ATOM 1392 C ASN A 84 6.433 24.948 -12.334 1.00 0.00 C ATOM 1393 O ASN A 84 7.077 25.609 -11.521 1.00 0.00 O ATOM 1394 CB ASN A 84 6.596 26.749 -14.062 1.00 0.00 C ATOM 1395 CG ASN A 84 7.458 27.112 -15.256 1.00 0.00 C ATOM 1396 OD1 ASN A 84 7.257 26.410 -16.366 1.00 0.00 O flip ATOM 1397 ND2 ASN A 84 8.295 28.012 -15.181 1.00 0.00 N flip ATOM 0 H ASN A 84 5.646 23.975 -15.250 1.00 0.00 H new ATOM 0 HA ASN A 84 7.439 24.778 -14.214 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.588 27.136 -14.214 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.992 27.234 -13.170 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.415 28.525 -14.308 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.868 28.244 -15.992 1.00 0.00 H new ATOM 1404 N GLU A 85 5.624 23.954 -11.980 1.00 0.00 N ATOM 1405 CA GLU A 85 5.443 23.577 -10.584 1.00 0.00 C ATOM 1406 C GLU A 85 6.363 22.417 -10.210 1.00 0.00 C ATOM 1407 O GLU A 85 6.558 21.489 -10.995 1.00 0.00 O ATOM 1408 CB GLU A 85 3.986 23.192 -10.320 1.00 0.00 C ATOM 1409 CG GLU A 85 3.708 22.815 -8.875 1.00 0.00 C ATOM 1410 CD GLU A 85 2.468 21.954 -8.724 1.00 0.00 C ATOM 1411 OE1 GLU A 85 2.280 21.035 -9.548 1.00 0.00 O ATOM 1412 OE2 GLU A 85 1.687 22.201 -7.782 1.00 0.00 O ATOM 0 H GLU A 85 5.084 23.396 -12.641 1.00 0.00 H new ATOM 0 HA GLU A 85 5.701 24.437 -9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.342 24.026 -10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.718 22.354 -10.963 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.568 22.281 -8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.590 23.723 -8.283 1.00 0.00 H new ATOM 1419 N TYR A 86 6.925 22.479 -9.008 1.00 0.00 N ATOM 1420 CA TYR A 86 7.826 21.437 -8.531 1.00 0.00 C ATOM 1421 C TYR A 86 7.261 20.755 -7.289 1.00 0.00 C ATOM 1422 O TYR A 86 6.156 21.067 -6.843 1.00 0.00 O ATOM 1423 CB TYR A 86 9.203 22.026 -8.221 1.00 0.00 C ATOM 1424 CG TYR A 86 9.294 22.665 -6.854 1.00 0.00 C ATOM 1425 CD1 TYR A 86 8.670 23.877 -6.588 1.00 0.00 C ATOM 1426 CD2 TYR A 86 10.006 22.056 -5.828 1.00 0.00 C ATOM 1427 CE1 TYR A 86 8.751 24.465 -5.341 1.00 0.00 C ATOM 1428 CE2 TYR A 86 10.092 22.635 -4.576 1.00 0.00 C ATOM 1429 CZ TYR A 86 9.463 23.840 -4.338 1.00 0.00 C ATOM 1430 OH TYR A 86 9.547 24.421 -3.093 1.00 0.00 O ATOM 0 H TYR A 86 6.772 23.240 -8.346 1.00 0.00 H new ATOM 0 HA TYR A 86 7.927 20.691 -9.319 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.951 21.237 -8.295 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.449 22.771 -8.978 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.111 24.369 -7.371 1.00 0.00 H new ATOM 0 HD2 TYR A 86 10.501 21.114 -6.012 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.260 25.408 -5.152 1.00 0.00 H new ATOM 0 HE2 TYR A 86 10.648 22.147 -3.789 1.00 0.00 H new ATOM 0 HH TYR A 86 10.083 23.852 -2.502 1.00 0.00 H new ATOM 1440 N PHE A 87 8.027 19.822 -6.734 1.00 0.00 N ATOM 1441 CA PHE A 87 7.605 19.095 -5.542 1.00 0.00 C ATOM 1442 C PHE A 87 8.742 19.004 -4.529 1.00 0.00 C ATOM 1443 O PHE A 87 9.905 19.227 -4.864 1.00 0.00 O ATOM 1444 CB PHE A 87 7.129 17.690 -5.919 1.00 0.00 C ATOM 1445 CG PHE A 87 5.928 17.686 -6.821 1.00 0.00 C ATOM 1446 CD1 PHE A 87 6.045 18.053 -8.152 1.00 0.00 C ATOM 1447 CD2 PHE A 87 4.683 17.315 -6.339 1.00 0.00 C ATOM 1448 CE1 PHE A 87 4.941 18.050 -8.985 1.00 0.00 C ATOM 1449 CE2 PHE A 87 3.577 17.311 -7.167 1.00 0.00 C ATOM 1450 CZ PHE A 87 3.706 17.678 -8.492 1.00 0.00 C ATOM 0 H PHE A 87 8.944 19.551 -7.090 1.00 0.00 H new ATOM 0 HA PHE A 87 6.779 19.642 -5.086 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.944 17.158 -6.410 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.892 17.139 -5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.009 18.344 -8.543 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.576 17.026 -5.304 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.045 18.338 -10.021 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.612 17.021 -6.778 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.843 17.674 -9.141 1.00 0.00 H new ATOM 1460 N GLU A 88 8.396 18.676 -3.288 1.00 0.00 N ATOM 1461 CA GLU A 88 9.387 18.558 -2.225 1.00 0.00 C ATOM 1462 C GLU A 88 9.194 17.261 -1.444 1.00 0.00 C ATOM 1463 O GLU A 88 9.737 17.096 -0.351 1.00 0.00 O ATOM 1464 CB GLU A 88 9.297 19.755 -1.277 1.00 0.00 C ATOM 1465 CG GLU A 88 10.314 20.845 -1.575 1.00 0.00 C ATOM 1466 CD GLU A 88 11.013 21.347 -0.326 1.00 0.00 C ATOM 1467 OE1 GLU A 88 11.963 20.680 0.132 1.00 0.00 O ATOM 1468 OE2 GLU A 88 10.608 22.409 0.193 1.00 0.00 O ATOM 0 H GLU A 88 7.438 18.487 -2.994 1.00 0.00 H new ATOM 0 HA GLU A 88 10.375 18.542 -2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.295 20.179 -1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.438 19.408 -0.253 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.057 20.462 -2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.814 21.679 -2.067 1.00 0.00 H new ATOM 1475 N ASP A 89 8.417 16.345 -2.011 1.00 0.00 N ATOM 1476 CA ASP A 89 8.153 15.063 -1.369 1.00 0.00 C ATOM 1477 C ASP A 89 8.250 13.921 -2.376 1.00 0.00 C ATOM 1478 O ASP A 89 7.622 12.875 -2.207 1.00 0.00 O ATOM 1479 CB ASP A 89 6.768 15.070 -0.720 1.00 0.00 C ATOM 1480 CG ASP A 89 6.807 15.539 0.722 1.00 0.00 C ATOM 1481 OD1 ASP A 89 7.680 16.368 1.053 1.00 0.00 O ATOM 1482 OD2 ASP A 89 5.964 15.077 1.518 1.00 0.00 O ATOM 0 H ASP A 89 7.959 16.467 -2.914 1.00 0.00 H new ATOM 0 HA ASP A 89 8.907 14.908 -0.597 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.105 15.719 -1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.345 14.066 -0.761 1.00 0.00 H new ATOM 1487 N LEU A 90 9.040 14.128 -3.423 1.00 0.00 N ATOM 1488 CA LEU A 90 9.219 13.116 -4.459 1.00 0.00 C ATOM 1489 C LEU A 90 10.523 12.351 -4.252 1.00 0.00 C ATOM 1490 O LEU A 90 10.921 11.546 -5.094 1.00 0.00 O ATOM 1491 CB LEU A 90 9.211 13.768 -5.843 1.00 0.00 C ATOM 1492 CG LEU A 90 7.882 14.376 -6.290 1.00 0.00 C ATOM 1493 CD1 LEU A 90 7.986 14.896 -7.715 1.00 0.00 C ATOM 1494 CD2 LEU A 90 6.761 13.353 -6.174 1.00 0.00 C ATOM 0 H LEU A 90 9.567 14.987 -3.578 1.00 0.00 H new ATOM 0 HA LEU A 90 8.390 12.411 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.969 14.551 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.511 13.020 -6.577 1.00 0.00 H new ATOM 0 HG LEU A 90 7.650 15.215 -5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.030 15.325 -8.016 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.760 15.661 -7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.242 14.075 -8.384 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.822 13.804 -6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.986 12.493 -6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.670 13.029 -5.137 1.00 0.00 H new ATOM 1506 N ASP A 91 11.180 12.606 -3.126 1.00 0.00 N ATOM 1507 CA ASP A 91 12.437 11.938 -2.807 1.00 0.00 C ATOM 1508 C ASP A 91 12.302 11.105 -1.536 1.00 0.00 C ATOM 1509 O ASP A 91 13.299 10.691 -0.944 1.00 0.00 O ATOM 1510 CB ASP A 91 13.557 12.966 -2.641 1.00 0.00 C ATOM 1511 CG ASP A 91 14.102 13.448 -3.971 1.00 0.00 C ATOM 1512 OD1 ASP A 91 14.807 12.666 -4.642 1.00 0.00 O ATOM 1513 OD2 ASP A 91 13.823 14.608 -4.341 1.00 0.00 O ATOM 0 H ASP A 91 10.864 13.270 -2.419 1.00 0.00 H new ATOM 0 HA ASP A 91 12.686 11.271 -3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.183 13.819 -2.075 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.366 12.526 -2.058 1.00 0.00 H new ATOM 1518 N LEU A 92 11.063 10.864 -1.122 1.00 0.00 N ATOM 1519 CA LEU A 92 10.797 10.081 0.080 1.00 0.00 C ATOM 1520 C LEU A 92 9.785 8.975 -0.204 1.00 0.00 C ATOM 1521 O LEU A 92 8.575 9.203 -0.244 1.00 0.00 O ATOM 1522 CB LEU A 92 10.280 10.987 1.199 1.00 0.00 C ATOM 1523 CG LEU A 92 10.933 12.365 1.302 1.00 0.00 C ATOM 1524 CD1 LEU A 92 9.941 13.387 1.837 1.00 0.00 C ATOM 1525 CD2 LEU A 92 12.170 12.305 2.186 1.00 0.00 C ATOM 0 H LEU A 92 10.227 11.199 -1.601 1.00 0.00 H new ATOM 0 HA LEU A 92 11.732 9.620 0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.208 11.125 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.416 10.471 2.149 1.00 0.00 H new ATOM 0 HG LEU A 92 11.240 12.676 0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.423 14.362 1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.086 13.451 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 92 9.602 13.082 2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.622 13.295 2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.888 11.972 3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.888 11.605 1.760 1.00 0.00 H new ATOM 1537 N PRO A 93 10.289 7.748 -0.402 1.00 0.00 N ATOM 1538 CA PRO A 93 9.445 6.582 -0.683 1.00 0.00 C ATOM 1539 C PRO A 93 8.625 6.156 0.530 1.00 0.00 C ATOM 1540 O PRO A 93 7.770 5.274 0.435 1.00 0.00 O ATOM 1541 CB PRO A 93 10.456 5.494 -1.054 1.00 0.00 C ATOM 1542 CG PRO A 93 11.717 5.901 -0.372 1.00 0.00 C ATOM 1543 CD PRO A 93 11.720 7.404 -0.369 1.00 0.00 C ATOM 0 HA PRO A 93 8.713 6.787 -1.464 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.123 4.512 -0.717 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.592 5.431 -2.134 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.755 5.509 0.644 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.588 5.510 -0.897 1.00 0.00 H new ATOM 0 HD2 PRO A 93 12.209 7.803 0.520 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.250 7.807 -1.232 1.00 0.00 H new ATOM 1551 N THR A 94 8.889 6.787 1.669 1.00 0.00 N ATOM 1552 CA THR A 94 8.175 6.472 2.901 1.00 0.00 C ATOM 1553 C THR A 94 6.988 7.407 3.102 1.00 0.00 C ATOM 1554 O THR A 94 5.936 6.995 3.593 1.00 0.00 O ATOM 1555 CB THR A 94 9.103 6.566 4.127 1.00 0.00 C ATOM 1556 OG1 THR A 94 9.882 7.766 4.061 1.00 0.00 O ATOM 1557 CG2 THR A 94 10.025 5.359 4.202 1.00 0.00 C ATOM 0 H THR A 94 9.592 7.520 1.765 1.00 0.00 H new ATOM 0 HA THR A 94 7.815 5.448 2.806 1.00 0.00 H new ATOM 0 HB THR A 94 8.483 6.585 5.024 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.468 7.819 4.845 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.671 5.448 5.076 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.429 4.450 4.283 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.637 5.312 3.302 1.00 0.00 H new ATOM 1565 N LYS A 95 7.162 8.668 2.721 1.00 0.00 N ATOM 1566 CA LYS A 95 6.105 9.662 2.858 1.00 0.00 C ATOM 1567 C LYS A 95 4.918 9.320 1.963 1.00 0.00 C ATOM 1568 O LYS A 95 3.762 9.483 2.359 1.00 0.00 O ATOM 1569 CB LYS A 95 6.637 11.054 2.508 1.00 0.00 C ATOM 1570 CG LYS A 95 7.160 11.824 3.708 1.00 0.00 C ATOM 1571 CD LYS A 95 8.377 11.148 4.317 1.00 0.00 C ATOM 1572 CE LYS A 95 8.974 11.982 5.440 1.00 0.00 C ATOM 1573 NZ LYS A 95 8.139 11.930 6.673 1.00 0.00 N ATOM 0 H LYS A 95 8.026 9.026 2.314 1.00 0.00 H new ATOM 0 HA LYS A 95 5.769 9.658 3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.437 10.954 1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.841 11.630 2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.419 12.839 3.406 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.374 11.906 4.459 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.096 10.167 4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.128 10.985 3.545 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.978 11.622 5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.073 13.017 5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.579 12.511 7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.189 12.297 6.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.066 10.946 7.001 1.00 0.00 H new ATOM 1587 N LEU A 96 5.209 8.845 0.758 1.00 0.00 N ATOM 1588 CA LEU A 96 4.165 8.478 -0.193 1.00 0.00 C ATOM 1589 C LEU A 96 3.440 7.213 0.256 1.00 0.00 C ATOM 1590 O LEU A 96 2.213 7.128 0.183 1.00 0.00 O ATOM 1591 CB LEU A 96 4.765 8.270 -1.584 1.00 0.00 C ATOM 1592 CG LEU A 96 5.762 9.331 -2.051 1.00 0.00 C ATOM 1593 CD1 LEU A 96 6.712 8.751 -3.087 1.00 0.00 C ATOM 1594 CD2 LEU A 96 5.030 10.541 -2.613 1.00 0.00 C ATOM 0 H LEU A 96 6.159 8.705 0.415 1.00 0.00 H new ATOM 0 HA LEU A 96 3.442 9.293 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.262 7.300 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.950 8.224 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 96 6.349 9.654 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.414 9.520 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.262 7.917 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.142 8.399 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.756 11.286 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.417 10.234 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.392 10.971 -1.841 1.00 0.00 H new ATOM 1606 N LEU A 97 4.206 6.232 0.721 1.00 0.00 N ATOM 1607 CA LEU A 97 3.637 4.971 1.184 1.00 0.00 C ATOM 1608 C LEU A 97 2.792 5.182 2.436 1.00 0.00 C ATOM 1609 O LEU A 97 1.698 4.634 2.558 1.00 0.00 O ATOM 1610 CB LEU A 97 4.750 3.961 1.469 1.00 0.00 C ATOM 1611 CG LEU A 97 4.972 2.887 0.404 1.00 0.00 C ATOM 1612 CD1 LEU A 97 5.106 3.520 -0.973 1.00 0.00 C ATOM 1613 CD2 LEU A 97 6.203 2.056 0.732 1.00 0.00 C ATOM 0 H LEU A 97 5.222 6.286 0.787 1.00 0.00 H new ATOM 0 HA LEU A 97 2.993 4.580 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.683 4.508 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.530 3.466 2.415 1.00 0.00 H new ATOM 0 HG LEU A 97 4.105 2.227 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.263 2.740 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.196 4.070 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.955 4.204 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.345 1.297 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.079 2.703 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.068 1.572 1.699 1.00 0.00 H new