USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 MET CE :methyl -116:sc=-0.000338 (180deg=-0.0117) USER MOD Set 1.2: A 59 GLN : amide:sc= -1.69 K(o=-1.7,f=-3.5) USER MOD Set 2.1: A 24 ASN : amide:sc= 0.263 K(o=0.37,f=-0.15) USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= 0.108 USER MOD Set 3.1: A 9 ASN :FLIP amide:sc= -0.172 F(o=-3.2!,f=1.2) USER MOD Set 3.2: A 10 SER OG : rot 80:sc= 0.87 USER MOD Set 3.3: A 43 THR OG1 : rot -144:sc= 0.498 USER MOD Single : A 1 SER N :NH3+ 150:sc= 0.062 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0386 USER MOD Single : A 3 MET CE :methyl -140:sc= -0.333 (180deg=-1.09) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 75:sc= 0.668 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= -0.0293 (180deg=-0.308) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 171:sc= 0.42! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 12:sc= 0.95 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 115:sc= 0.0291 USER MOD Single : A 46 ASN : amide:sc= -0.773 K(o=-0.77,f=-8.8!) USER MOD Single : A 47 TYR OH : rot 170:sc= 0.899 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.412 3.030 11.014 1.00 0.00 N ATOM 2 CA SER A 1 11.882 2.010 10.083 1.00 0.00 C ATOM 3 C SER A 1 10.828 2.593 9.140 1.00 0.00 C ATOM 4 O SER A 1 9.629 2.550 9.427 1.00 0.00 O ATOM 5 CB SER A 1 11.280 0.884 10.919 1.00 0.00 C ATOM 6 OG SER A 1 12.220 0.382 11.861 1.00 0.00 O ATOM 0 H1 SER A 1 12.694 2.574 11.905 1.00 0.00 H new ATOM 0 H2 SER A 1 13.239 3.494 10.586 1.00 0.00 H new ATOM 0 H3 SER A 1 11.677 3.740 11.206 1.00 0.00 H new ATOM 0 HA SER A 1 12.693 1.638 9.456 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.396 1.249 11.443 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.952 0.077 10.264 1.00 0.00 H new ATOM 0 HG SER A 1 11.807 -0.337 12.384 1.00 0.00 H new ATOM 12 N TRP A 2 11.274 3.124 8.006 1.00 0.00 N ATOM 13 CA TRP A 2 10.366 3.692 7.017 1.00 0.00 C ATOM 14 C TRP A 2 10.262 2.751 5.825 1.00 0.00 C ATOM 15 O TRP A 2 11.247 2.481 5.139 1.00 0.00 O ATOM 16 CB TRP A 2 10.829 5.085 6.576 1.00 0.00 C ATOM 17 CG TRP A 2 10.713 6.117 7.659 1.00 0.00 C ATOM 18 CD1 TRP A 2 11.510 6.248 8.760 1.00 0.00 C ATOM 19 CD2 TRP A 2 9.731 7.154 7.750 1.00 0.00 C ATOM 20 NE1 TRP A 2 11.082 7.302 9.529 1.00 0.00 N ATOM 21 CE2 TRP A 2 9.993 7.875 8.930 1.00 0.00 C ATOM 22 CE3 TRP A 2 8.658 7.543 6.947 1.00 0.00 C ATOM 23 CZ2 TRP A 2 9.220 8.962 9.325 1.00 0.00 C ATOM 24 CZ3 TRP A 2 7.890 8.621 7.340 1.00 0.00 C ATOM 25 CH2 TRP A 2 8.174 9.319 8.520 1.00 0.00 C ATOM 0 H TRP A 2 12.260 3.173 7.749 1.00 0.00 H new ATOM 0 HA TRP A 2 9.380 3.806 7.468 1.00 0.00 H new ATOM 0 HB2 TRP A 2 11.866 5.029 6.247 1.00 0.00 H new ATOM 0 HB3 TRP A 2 10.238 5.402 5.716 1.00 0.00 H new ATOM 0 HD1 TRP A 2 12.354 5.615 8.992 1.00 0.00 H new ATOM 0 HE1 TRP A 2 11.507 7.608 10.404 1.00 0.00 H new ATOM 0 HE3 TRP A 2 8.432 7.011 6.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 9.438 9.504 10.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 7.056 8.931 6.727 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.554 10.157 8.800 1.00 0.00 H new ATOM 36 N MET A 3 9.069 2.218 5.623 1.00 0.00 N ATOM 37 CA MET A 3 8.811 1.257 4.564 1.00 0.00 C ATOM 38 C MET A 3 8.881 1.848 3.157 1.00 0.00 C ATOM 39 O MET A 3 8.320 2.910 2.870 1.00 0.00 O ATOM 40 CB MET A 3 7.444 0.596 4.781 1.00 0.00 C ATOM 41 CG MET A 3 6.276 1.571 4.883 1.00 0.00 C ATOM 42 SD MET A 3 6.222 2.457 6.456 1.00 0.00 S ATOM 43 CE MET A 3 6.089 1.098 7.621 1.00 0.00 C ATOM 0 H MET A 3 8.250 2.440 6.190 1.00 0.00 H new ATOM 0 HA MET A 3 9.610 0.518 4.625 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.254 -0.093 3.958 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.484 0.001 5.693 1.00 0.00 H new ATOM 0 HG2 MET A 3 6.342 2.293 4.069 1.00 0.00 H new ATOM 0 HG3 MET A 3 5.342 1.024 4.749 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.391 1.366 8.414 1.00 0.00 H new ATOM 0 HE2 MET A 3 5.727 0.209 7.104 1.00 0.00 H new ATOM 0 HE3 MET A 3 7.068 0.892 8.053 1.00 0.00 H new ATOM 53 N SER A 4 9.532 1.098 2.277 1.00 0.00 N ATOM 54 CA SER A 4 9.654 1.461 0.872 1.00 0.00 C ATOM 55 C SER A 4 8.749 0.533 0.067 1.00 0.00 C ATOM 56 O SER A 4 7.985 -0.235 0.654 1.00 0.00 O ATOM 57 CB SER A 4 11.106 1.344 0.398 1.00 0.00 C ATOM 58 OG SER A 4 11.951 2.243 1.101 1.00 0.00 O ATOM 0 H SER A 4 9.991 0.220 2.518 1.00 0.00 H new ATOM 0 HA SER A 4 9.353 2.499 0.730 1.00 0.00 H new ATOM 0 HB2 SER A 4 11.457 0.322 0.543 1.00 0.00 H new ATOM 0 HB3 SER A 4 11.160 1.551 -0.671 1.00 0.00 H new ATOM 0 HG SER A 4 12.872 2.146 0.780 1.00 0.00 H new ATOM 64 N THR A 5 8.803 0.602 -1.253 1.00 0.00 N ATOM 65 CA THR A 5 7.944 -0.237 -2.058 1.00 0.00 C ATOM 66 C THR A 5 8.685 -1.127 -3.041 1.00 0.00 C ATOM 67 O THR A 5 9.742 -0.779 -3.567 1.00 0.00 O ATOM 68 CB THR A 5 6.967 0.628 -2.836 1.00 0.00 C ATOM 69 OG1 THR A 5 7.641 1.667 -3.510 1.00 0.00 O ATOM 70 CG2 THR A 5 5.902 1.245 -1.980 1.00 0.00 C ATOM 0 H THR A 5 9.422 1.220 -1.778 1.00 0.00 H new ATOM 0 HA THR A 5 7.432 -0.895 -1.355 1.00 0.00 H new ATOM 0 HB THR A 5 6.487 -0.049 -3.543 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.106 1.302 -4.292 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.240 1.849 -2.601 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.325 0.458 -1.493 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.365 1.877 -1.222 1.00 0.00 H new ATOM 78 N VAL A 6 8.038 -2.242 -3.327 1.00 0.00 N ATOM 79 CA VAL A 6 8.478 -3.221 -4.304 1.00 0.00 C ATOM 80 C VAL A 6 7.342 -3.312 -5.289 1.00 0.00 C ATOM 81 O VAL A 6 6.467 -2.450 -5.259 1.00 0.00 O ATOM 82 CB VAL A 6 8.724 -4.624 -3.698 1.00 0.00 C ATOM 83 CG1 VAL A 6 9.956 -5.264 -4.320 1.00 0.00 C ATOM 84 CG2 VAL A 6 8.845 -4.565 -2.182 1.00 0.00 C ATOM 0 H VAL A 6 7.163 -2.499 -2.870 1.00 0.00 H new ATOM 0 HA VAL A 6 9.429 -2.912 -4.739 1.00 0.00 H new ATOM 0 HB VAL A 6 7.859 -5.245 -3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.114 -6.250 -3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.810 -5.364 -5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.827 -4.638 -4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.017 -5.568 -1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.681 -3.921 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.924 -4.164 -1.759 1.00 0.00 H new ATOM 94 N GLY A 7 7.329 -4.347 -6.110 1.00 0.00 N ATOM 95 CA GLY A 7 6.239 -4.549 -7.068 1.00 0.00 C ATOM 96 C GLY A 7 5.664 -3.256 -7.612 1.00 0.00 C ATOM 97 O GLY A 7 6.402 -2.402 -8.119 1.00 0.00 O ATOM 0 H GLY A 7 8.055 -5.063 -6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.604 -5.153 -7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.443 -5.117 -6.586 1.00 0.00 H new ATOM 101 N GLY A 8 4.350 -3.107 -7.427 1.00 0.00 N ATOM 102 CA GLY A 8 3.616 -1.907 -7.818 1.00 0.00 C ATOM 103 C GLY A 8 4.077 -1.241 -9.103 1.00 0.00 C ATOM 104 O GLY A 8 4.495 -1.903 -10.056 1.00 0.00 O ATOM 0 H GLY A 8 3.764 -3.823 -6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.562 -2.166 -7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.687 -1.180 -7.009 1.00 0.00 H new ATOM 108 N ASN A 9 3.990 0.090 -9.117 1.00 0.00 N ATOM 109 CA ASN A 9 4.394 0.884 -10.278 1.00 0.00 C ATOM 110 C ASN A 9 5.041 2.203 -9.858 1.00 0.00 C ATOM 111 O ASN A 9 5.622 2.905 -10.685 1.00 0.00 O ATOM 112 CB ASN A 9 3.212 1.142 -11.241 1.00 0.00 C ATOM 113 CG ASN A 9 2.029 1.894 -10.644 1.00 0.00 C ATOM 114 OD1 ASN A 9 2.094 2.200 -9.370 1.00 0.00 O flip ATOM 115 ND2 ASN A 9 1.056 2.194 -11.337 1.00 0.00 N flip ATOM 0 H ASN A 9 3.642 0.643 -8.334 1.00 0.00 H new ATOM 0 HA ASN A 9 5.138 0.296 -10.815 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.581 1.704 -12.099 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.857 0.183 -11.617 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.036 1.941 -12.325 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.270 2.695 -10.923 1.00 0.00 H new ATOM 122 N SER A 10 4.936 2.540 -8.569 1.00 0.00 N ATOM 123 CA SER A 10 5.505 3.775 -8.048 1.00 0.00 C ATOM 124 C SER A 10 7.025 3.680 -7.953 1.00 0.00 C ATOM 125 O SER A 10 7.721 4.695 -7.910 1.00 0.00 O ATOM 126 CB SER A 10 4.919 4.071 -6.669 1.00 0.00 C ATOM 127 OG SER A 10 3.511 3.905 -6.671 1.00 0.00 O ATOM 0 H SER A 10 4.460 1.970 -7.870 1.00 0.00 H new ATOM 0 HA SER A 10 5.255 4.584 -8.734 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.366 3.407 -5.929 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.169 5.090 -6.375 1.00 0.00 H new ATOM 0 HG SER A 10 3.294 2.952 -6.596 1.00 0.00 H new ATOM 133 N GLY A 11 7.534 2.455 -7.915 1.00 0.00 N ATOM 134 CA GLY A 11 8.965 2.252 -7.823 1.00 0.00 C ATOM 135 C GLY A 11 9.416 2.020 -6.400 1.00 0.00 C ATOM 136 O GLY A 11 9.206 0.940 -5.844 1.00 0.00 O ATOM 0 H GLY A 11 6.980 1.599 -7.946 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.250 1.397 -8.437 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.481 3.122 -8.229 1.00 0.00 H new ATOM 140 N GLY A 12 10.030 3.030 -5.807 1.00 0.00 N ATOM 141 CA GLY A 12 10.499 2.910 -4.442 1.00 0.00 C ATOM 142 C GLY A 12 10.041 4.057 -3.571 1.00 0.00 C ATOM 143 O GLY A 12 10.799 4.551 -2.733 1.00 0.00 O ATOM 0 H GLY A 12 10.213 3.932 -6.246 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.141 1.971 -4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.588 2.867 -4.438 1.00 0.00 H new ATOM 147 N ALA A 13 8.798 4.484 -3.760 1.00 0.00 N ATOM 148 CA ALA A 13 8.241 5.579 -2.975 1.00 0.00 C ATOM 149 C ALA A 13 7.680 5.065 -1.658 1.00 0.00 C ATOM 150 O ALA A 13 7.069 4.004 -1.608 1.00 0.00 O ATOM 151 CB ALA A 13 7.158 6.304 -3.760 1.00 0.00 C ATOM 0 H ALA A 13 8.158 4.089 -4.449 1.00 0.00 H new ATOM 0 HA ALA A 13 9.044 6.283 -2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.755 7.118 -3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.583 6.709 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.359 5.605 -4.008 1.00 0.00 H new ATOM 157 N PRO A 14 7.875 5.823 -0.575 1.00 0.00 N ATOM 158 CA PRO A 14 7.383 5.447 0.754 1.00 0.00 C ATOM 159 C PRO A 14 5.863 5.333 0.793 1.00 0.00 C ATOM 160 O PRO A 14 5.152 6.231 0.332 1.00 0.00 O ATOM 161 CB PRO A 14 7.847 6.594 1.660 1.00 0.00 C ATOM 162 CG PRO A 14 8.900 7.318 0.890 1.00 0.00 C ATOM 163 CD PRO A 14 8.582 7.110 -0.563 1.00 0.00 C ATOM 0 HA PRO A 14 7.760 4.471 1.059 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.018 7.257 1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.243 6.213 2.602 1.00 0.00 H new ATOM 0 HG2 PRO A 14 8.902 8.379 1.139 1.00 0.00 H new ATOM 0 HG3 PRO A 14 9.891 6.932 1.130 1.00 0.00 H new ATOM 0 HD2 PRO A 14 7.960 7.914 -0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.486 7.078 -1.172 1.00 0.00 H new ATOM 171 N CYS A 15 5.366 4.234 1.346 1.00 0.00 N ATOM 172 CA CYS A 15 3.929 4.024 1.448 1.00 0.00 C ATOM 173 C CYS A 15 3.334 4.957 2.499 1.00 0.00 C ATOM 174 O CYS A 15 3.726 4.917 3.668 1.00 0.00 O ATOM 175 CB CYS A 15 3.613 2.573 1.805 1.00 0.00 C ATOM 176 SG CYS A 15 3.800 1.407 0.417 1.00 0.00 S ATOM 0 H CYS A 15 5.934 3.478 1.729 1.00 0.00 H new ATOM 0 HA CYS A 15 3.485 4.245 0.478 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.267 2.260 2.619 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.590 2.516 2.178 1.00 0.00 H new ATOM 181 N VAL A 16 2.396 5.799 2.077 1.00 0.00 N ATOM 182 CA VAL A 16 1.752 6.757 2.970 1.00 0.00 C ATOM 183 C VAL A 16 0.711 6.089 3.867 1.00 0.00 C ATOM 184 O VAL A 16 -0.295 5.562 3.390 1.00 0.00 O ATOM 185 CB VAL A 16 1.082 7.887 2.161 1.00 0.00 C ATOM 186 CG1 VAL A 16 0.410 8.889 3.080 1.00 0.00 C ATOM 187 CG2 VAL A 16 2.099 8.585 1.274 1.00 0.00 C ATOM 0 H VAL A 16 2.063 5.837 1.114 1.00 0.00 H new ATOM 0 HA VAL A 16 2.533 7.175 3.606 1.00 0.00 H new ATOM 0 HB VAL A 16 0.317 7.438 1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.054 9.675 2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.353 8.384 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.154 9.329 3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.607 9.379 0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.888 9.014 1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.533 7.864 0.581 1.00 0.00 H new ATOM 197 N PHE A 17 0.962 6.119 5.169 1.00 0.00 N ATOM 198 CA PHE A 17 0.059 5.527 6.131 1.00 0.00 C ATOM 199 C PHE A 17 -0.481 6.575 7.089 1.00 0.00 C ATOM 200 O PHE A 17 0.252 7.460 7.533 1.00 0.00 O ATOM 201 CB PHE A 17 0.780 4.451 6.932 1.00 0.00 C ATOM 202 CG PHE A 17 1.134 3.226 6.144 1.00 0.00 C ATOM 203 CD1 PHE A 17 0.164 2.489 5.485 1.00 0.00 C ATOM 204 CD2 PHE A 17 2.444 2.802 6.083 1.00 0.00 C ATOM 205 CE1 PHE A 17 0.505 1.350 4.780 1.00 0.00 C ATOM 206 CE2 PHE A 17 2.794 1.667 5.379 1.00 0.00 C ATOM 207 CZ PHE A 17 1.826 0.934 4.722 1.00 0.00 C ATOM 0 H PHE A 17 1.790 6.551 5.579 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.773 5.087 5.581 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.693 4.876 7.349 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.151 4.158 7.773 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.867 2.807 5.522 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.209 3.367 6.594 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.261 0.782 4.272 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.826 1.352 5.342 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.095 0.046 4.169 1.00 0.00 H new ATOM 217 N PRO A 18 -1.772 6.485 7.429 1.00 0.00 N ATOM 218 CA PRO A 18 -2.666 5.447 6.919 1.00 0.00 C ATOM 219 C PRO A 18 -3.236 5.806 5.550 1.00 0.00 C ATOM 220 O PRO A 18 -3.649 6.946 5.324 1.00 0.00 O ATOM 221 CB PRO A 18 -3.797 5.401 7.962 1.00 0.00 C ATOM 222 CG PRO A 18 -3.476 6.458 8.978 1.00 0.00 C ATOM 223 CD PRO A 18 -2.480 7.384 8.340 1.00 0.00 C ATOM 0 HA PRO A 18 -2.150 4.496 6.785 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.764 5.591 7.496 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.856 4.418 8.429 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.376 7.000 9.270 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.065 6.012 9.883 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.966 8.203 7.810 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.810 7.832 9.074 1.00 0.00 H new ATOM 231 N PHE A 19 -3.299 4.835 4.645 1.00 0.00 N ATOM 232 CA PHE A 19 -3.867 5.098 3.335 1.00 0.00 C ATOM 233 C PHE A 19 -5.268 4.523 3.275 1.00 0.00 C ATOM 234 O PHE A 19 -5.796 4.063 4.284 1.00 0.00 O ATOM 235 CB PHE A 19 -2.996 4.566 2.179 1.00 0.00 C ATOM 236 CG PHE A 19 -2.903 3.069 2.041 1.00 0.00 C ATOM 237 CD1 PHE A 19 -2.005 2.340 2.799 1.00 0.00 C ATOM 238 CD2 PHE A 19 -3.694 2.395 1.121 1.00 0.00 C ATOM 239 CE1 PHE A 19 -1.895 0.969 2.639 1.00 0.00 C ATOM 240 CE2 PHE A 19 -3.594 1.028 0.962 1.00 0.00 C ATOM 241 CZ PHE A 19 -2.690 0.313 1.721 1.00 0.00 C ATOM 0 H PHE A 19 -2.971 3.880 4.792 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.905 6.179 3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.385 4.971 1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.987 4.960 2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.383 2.845 3.523 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.399 2.950 0.520 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.186 0.412 3.234 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.222 0.519 0.245 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.605 -0.756 1.597 1.00 0.00 H new ATOM 251 N THR A 20 -5.877 4.560 2.111 1.00 0.00 N ATOM 252 CA THR A 20 -7.220 4.044 1.961 1.00 0.00 C ATOM 253 C THR A 20 -7.355 3.311 0.639 1.00 0.00 C ATOM 254 O THR A 20 -7.104 3.881 -0.423 1.00 0.00 O ATOM 255 CB THR A 20 -8.234 5.196 2.039 1.00 0.00 C ATOM 256 OG1 THR A 20 -8.129 5.888 3.275 1.00 0.00 O ATOM 257 CG2 THR A 20 -9.670 4.750 1.893 1.00 0.00 C ATOM 0 H THR A 20 -5.467 4.940 1.258 1.00 0.00 H new ATOM 0 HA THR A 20 -7.423 3.341 2.769 1.00 0.00 H new ATOM 0 HB THR A 20 -7.982 5.844 1.199 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.784 6.617 3.298 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.328 5.616 1.958 1.00 0.00 H new ATOM 0 HG22 THR A 20 -9.804 4.265 0.926 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.915 4.047 2.689 1.00 0.00 H new ATOM 265 N PHE A 21 -7.761 2.056 0.708 1.00 0.00 N ATOM 266 CA PHE A 21 -7.947 1.265 -0.487 1.00 0.00 C ATOM 267 C PHE A 21 -9.358 0.761 -0.544 1.00 0.00 C ATOM 268 O PHE A 21 -9.843 0.173 0.419 1.00 0.00 O ATOM 269 CB PHE A 21 -7.029 0.051 -0.521 1.00 0.00 C ATOM 270 CG PHE A 21 -7.022 -0.667 -1.847 1.00 0.00 C ATOM 271 CD1 PHE A 21 -6.371 -0.124 -2.936 1.00 0.00 C ATOM 272 CD2 PHE A 21 -7.640 -1.900 -1.995 1.00 0.00 C ATOM 273 CE1 PHE A 21 -6.320 -0.794 -4.140 1.00 0.00 C ATOM 274 CE2 PHE A 21 -7.602 -2.569 -3.202 1.00 0.00 C ATOM 275 CZ PHE A 21 -6.932 -2.020 -4.276 1.00 0.00 C ATOM 0 H PHE A 21 -7.967 1.567 1.579 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.716 1.912 -1.333 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.013 0.368 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.335 -0.647 0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.894 0.841 -2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.157 -2.342 -1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.799 -0.356 -4.978 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.097 -3.523 -3.306 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.888 -2.548 -5.217 1.00 0.00 H new ATOM 285 N LEU A 22 -9.949 0.912 -1.710 1.00 0.00 N ATOM 286 CA LEU A 22 -11.258 0.434 -2.039 1.00 0.00 C ATOM 287 C LEU A 22 -12.235 0.433 -0.871 1.00 0.00 C ATOM 288 O LEU A 22 -12.970 -0.531 -0.637 1.00 0.00 O ATOM 289 CB LEU A 22 -11.024 -0.926 -2.635 1.00 0.00 C ATOM 290 CG LEU A 22 -10.585 -0.900 -4.095 1.00 0.00 C ATOM 291 CD1 LEU A 22 -11.723 -0.473 -4.942 1.00 0.00 C ATOM 292 CD2 LEU A 22 -9.432 0.045 -4.332 1.00 0.00 C ATOM 0 H LEU A 22 -9.500 1.397 -2.487 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.758 1.102 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.265 -1.442 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -11.941 -1.509 -2.553 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.257 -1.907 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.412 -0.453 -5.986 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.549 -1.174 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.047 0.523 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.157 0.027 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.727 1.056 -4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.578 -0.265 -3.729 1.00 0.00 H new ATOM 304 N GLY A 23 -12.261 1.557 -0.175 1.00 0.00 N ATOM 305 CA GLY A 23 -13.182 1.732 0.941 1.00 0.00 C ATOM 306 C GLY A 23 -12.618 1.448 2.332 1.00 0.00 C ATOM 307 O GLY A 23 -13.277 1.761 3.323 1.00 0.00 O ATOM 0 H GLY A 23 -11.659 2.360 -0.360 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.550 2.758 0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.042 1.082 0.781 1.00 0.00 H new ATOM 311 N ASN A 24 -11.439 0.842 2.448 1.00 0.00 N ATOM 312 CA ASN A 24 -10.897 0.534 3.767 1.00 0.00 C ATOM 313 C ASN A 24 -9.694 1.409 4.114 1.00 0.00 C ATOM 314 O ASN A 24 -8.994 1.901 3.232 1.00 0.00 O ATOM 315 CB ASN A 24 -10.487 -0.932 3.824 1.00 0.00 C ATOM 316 CG ASN A 24 -11.602 -1.866 3.410 1.00 0.00 C ATOM 317 OD1 ASN A 24 -12.658 -1.908 4.036 1.00 0.00 O ATOM 318 ND2 ASN A 24 -11.373 -2.608 2.339 1.00 0.00 N ATOM 0 H ASN A 24 -10.852 0.560 1.663 1.00 0.00 H new ATOM 0 HA ASN A 24 -11.680 0.738 4.498 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.626 -1.090 3.174 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.170 -1.177 4.838 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -12.090 -3.250 2.000 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.480 -2.538 1.852 1.00 0.00 H new ATOM 325 N LYS A 25 -9.454 1.589 5.410 1.00 0.00 N ATOM 326 CA LYS A 25 -8.345 2.373 5.897 1.00 0.00 C ATOM 327 C LYS A 25 -7.174 1.441 6.210 1.00 0.00 C ATOM 328 O LYS A 25 -7.352 0.452 6.925 1.00 0.00 O ATOM 329 CB LYS A 25 -8.785 3.093 7.167 1.00 0.00 C ATOM 330 CG LYS A 25 -10.133 3.807 7.059 1.00 0.00 C ATOM 331 CD LYS A 25 -10.115 4.892 5.998 1.00 0.00 C ATOM 332 CE LYS A 25 -11.460 5.584 5.893 1.00 0.00 C ATOM 333 NZ LYS A 25 -12.549 4.631 5.547 1.00 0.00 N ATOM 0 H LYS A 25 -10.032 1.189 6.149 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.033 3.101 5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.836 2.369 7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.022 3.823 7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.911 3.081 6.822 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.390 4.246 8.023 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.345 5.625 6.238 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.852 4.456 5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.692 6.072 6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.408 6.366 5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.383 5.160 5.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.226 3.994 4.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.800 4.071 6.387 1.00 0.00 H new ATOM 347 N TYR A 26 -5.990 1.717 5.660 1.00 0.00 N ATOM 348 CA TYR A 26 -4.848 0.855 5.884 1.00 0.00 C ATOM 349 C TYR A 26 -3.711 1.584 6.569 1.00 0.00 C ATOM 350 O TYR A 26 -3.187 2.572 6.066 1.00 0.00 O ATOM 351 CB TYR A 26 -4.368 0.277 4.561 1.00 0.00 C ATOM 352 CG TYR A 26 -5.428 -0.490 3.816 1.00 0.00 C ATOM 353 CD1 TYR A 26 -6.443 0.158 3.129 1.00 0.00 C ATOM 354 CD2 TYR A 26 -5.424 -1.868 3.818 1.00 0.00 C ATOM 355 CE1 TYR A 26 -7.416 -0.552 2.471 1.00 0.00 C ATOM 356 CE2 TYR A 26 -6.391 -2.584 3.154 1.00 0.00 C ATOM 357 CZ TYR A 26 -7.386 -1.924 2.482 1.00 0.00 C ATOM 358 OH TYR A 26 -8.363 -2.639 1.835 1.00 0.00 O ATOM 0 H TYR A 26 -5.806 2.524 5.064 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.169 0.050 6.545 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.008 1.089 3.929 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.520 -0.381 4.749 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.468 1.238 3.111 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.647 -2.395 4.351 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -8.204 -0.032 1.946 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.367 -3.664 3.162 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.191 -3.598 1.941 1.00 0.00 H new ATOM 368 N GLU A 27 -3.321 1.054 7.704 1.00 0.00 N ATOM 369 CA GLU A 27 -2.232 1.605 8.486 1.00 0.00 C ATOM 370 C GLU A 27 -0.967 0.809 8.241 1.00 0.00 C ATOM 371 O GLU A 27 0.141 1.266 8.521 1.00 0.00 O ATOM 372 CB GLU A 27 -2.583 1.567 9.962 1.00 0.00 C ATOM 373 CG GLU A 27 -3.574 2.630 10.396 1.00 0.00 C ATOM 374 CD GLU A 27 -3.704 2.702 11.897 1.00 0.00 C ATOM 375 OE1 GLU A 27 -3.031 1.917 12.591 1.00 0.00 O ATOM 376 OE2 GLU A 27 -4.474 3.543 12.387 1.00 0.00 O ATOM 0 H GLU A 27 -3.750 0.225 8.116 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.068 2.640 8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.993 0.586 10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.668 1.680 10.544 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.257 3.600 10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.549 2.417 9.957 1.00 0.00 H new ATOM 383 N SER A 28 -1.147 -0.384 7.714 1.00 0.00 N ATOM 384 CA SER A 28 -0.052 -1.265 7.406 1.00 0.00 C ATOM 385 C SER A 28 -0.198 -1.742 5.971 1.00 0.00 C ATOM 386 O SER A 28 -1.089 -1.281 5.251 1.00 0.00 O ATOM 387 CB SER A 28 -0.066 -2.450 8.363 1.00 0.00 C ATOM 388 OG SER A 28 -1.380 -2.963 8.524 1.00 0.00 O ATOM 0 H SER A 28 -2.065 -0.767 7.488 1.00 0.00 H new ATOM 0 HA SER A 28 0.897 -0.740 7.518 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.590 -3.234 7.985 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.329 -2.144 9.332 1.00 0.00 H new ATOM 0 HG SER A 28 -1.361 -3.724 9.142 1.00 0.00 H new ATOM 394 N CYS A 29 0.646 -2.671 5.547 1.00 0.00 N ATOM 395 CA CYS A 29 0.545 -3.189 4.199 1.00 0.00 C ATOM 396 C CYS A 29 -0.738 -3.995 4.057 1.00 0.00 C ATOM 397 O CYS A 29 -1.402 -4.311 5.044 1.00 0.00 O ATOM 398 CB CYS A 29 1.759 -4.044 3.843 1.00 0.00 C ATOM 399 SG CYS A 29 3.337 -3.125 3.864 1.00 0.00 S ATOM 0 H CYS A 29 1.396 -3.074 6.109 1.00 0.00 H new ATOM 0 HA CYS A 29 0.520 -2.349 3.505 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.824 -4.876 4.544 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.612 -4.473 2.852 1.00 0.00 H new ATOM 404 N THR A 30 -1.089 -4.306 2.833 1.00 0.00 N ATOM 405 CA THR A 30 -2.300 -5.050 2.552 1.00 0.00 C ATOM 406 C THR A 30 -2.097 -5.961 1.358 1.00 0.00 C ATOM 407 O THR A 30 -1.126 -5.837 0.624 1.00 0.00 O ATOM 408 CB THR A 30 -3.450 -4.083 2.233 1.00 0.00 C ATOM 409 OG1 THR A 30 -4.666 -4.790 2.105 1.00 0.00 O ATOM 410 CG2 THR A 30 -3.228 -3.312 0.946 1.00 0.00 C ATOM 0 H THR A 30 -0.549 -4.054 2.005 1.00 0.00 H new ATOM 0 HA THR A 30 -2.543 -5.645 3.432 1.00 0.00 H new ATOM 0 HB THR A 30 -3.489 -3.378 3.063 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.410 -4.154 2.049 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.072 -2.645 0.771 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.312 -2.726 1.026 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.140 -4.011 0.114 1.00 0.00 H new ATOM 418 N SER A 31 -3.053 -6.829 1.133 1.00 0.00 N ATOM 419 CA SER A 31 -3.022 -7.709 -0.008 1.00 0.00 C ATOM 420 C SER A 31 -4.289 -7.459 -0.808 1.00 0.00 C ATOM 421 O SER A 31 -4.709 -8.270 -1.629 1.00 0.00 O ATOM 422 CB SER A 31 -2.889 -9.162 0.439 1.00 0.00 C ATOM 423 OG SER A 31 -3.921 -9.522 1.346 1.00 0.00 O ATOM 0 H SER A 31 -3.870 -6.945 1.732 1.00 0.00 H new ATOM 0 HA SER A 31 -2.155 -7.509 -0.638 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.923 -9.817 -0.432 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.918 -9.311 0.912 1.00 0.00 H new ATOM 0 HG SER A 31 -3.810 -10.458 1.613 1.00 0.00 H new ATOM 429 N ALA A 32 -4.884 -6.296 -0.532 1.00 0.00 N ATOM 430 CA ALA A 32 -6.112 -5.845 -1.175 1.00 0.00 C ATOM 431 C ALA A 32 -5.954 -5.745 -2.683 1.00 0.00 C ATOM 432 O ALA A 32 -4.966 -5.211 -3.175 1.00 0.00 O ATOM 433 CB ALA A 32 -6.524 -4.491 -0.599 1.00 0.00 C ATOM 0 H ALA A 32 -4.518 -5.635 0.154 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.889 -6.583 -0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.442 -4.155 -1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.691 -4.588 0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.733 -3.763 -0.779 1.00 0.00 H new ATOM 439 N GLY A 33 -6.928 -6.270 -3.411 1.00 0.00 N ATOM 440 CA GLY A 33 -6.876 -6.234 -4.860 1.00 0.00 C ATOM 441 C GLY A 33 -5.938 -7.279 -5.428 1.00 0.00 C ATOM 442 O GLY A 33 -5.837 -7.436 -6.647 1.00 0.00 O ATOM 0 H GLY A 33 -7.756 -6.722 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.877 -6.391 -5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.554 -5.245 -5.185 1.00 0.00 H new ATOM 446 N ARG A 34 -5.241 -7.983 -4.546 1.00 0.00 N ATOM 447 CA ARG A 34 -4.299 -9.006 -4.958 1.00 0.00 C ATOM 448 C ARG A 34 -4.778 -10.380 -4.510 1.00 0.00 C ATOM 449 O ARG A 34 -4.964 -11.285 -5.324 1.00 0.00 O ATOM 450 CB ARG A 34 -2.921 -8.721 -4.357 1.00 0.00 C ATOM 451 CG ARG A 34 -2.336 -7.364 -4.726 1.00 0.00 C ATOM 452 CD ARG A 34 -0.817 -7.414 -4.754 1.00 0.00 C ATOM 453 NE ARG A 34 -0.318 -8.485 -5.616 1.00 0.00 N ATOM 454 CZ ARG A 34 -0.367 -8.455 -6.944 1.00 0.00 C ATOM 455 NH1 ARG A 34 -0.835 -7.384 -7.568 1.00 0.00 N ATOM 456 NH2 ARG A 34 0.048 -9.492 -7.649 1.00 0.00 N ATOM 0 H ARG A 34 -5.314 -7.861 -3.536 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.228 -8.994 -6.046 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.992 -8.788 -3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.230 -9.500 -4.680 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.711 -7.056 -5.702 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.665 -6.614 -4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.430 -6.457 -5.104 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.441 -7.559 -3.741 1.00 0.00 H new ATOM 0 HE ARG A 34 0.093 -9.306 -5.171 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.158 -6.581 -7.029 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.872 -7.363 -8.587 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.408 -10.320 -7.175 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.009 -9.465 -8.668 1.00 0.00 H new ATOM 470 N SER A 35 -4.962 -10.507 -3.195 1.00 0.00 N ATOM 471 CA SER A 35 -5.410 -11.742 -2.542 1.00 0.00 C ATOM 472 C SER A 35 -4.523 -12.942 -2.894 1.00 0.00 C ATOM 473 O SER A 35 -4.984 -14.085 -2.884 1.00 0.00 O ATOM 474 CB SER A 35 -6.888 -12.045 -2.850 1.00 0.00 C ATOM 475 OG SER A 35 -7.130 -12.167 -4.242 1.00 0.00 O ATOM 0 H SER A 35 -4.801 -9.741 -2.540 1.00 0.00 H new ATOM 0 HA SER A 35 -5.317 -11.573 -1.469 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.180 -12.968 -2.350 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.513 -11.250 -2.442 1.00 0.00 H new ATOM 0 HG SER A 35 -6.276 -12.225 -4.719 1.00 0.00 H new ATOM 481 N ASP A 36 -3.250 -12.675 -3.191 1.00 0.00 N ATOM 482 CA ASP A 36 -2.297 -13.724 -3.530 1.00 0.00 C ATOM 483 C ASP A 36 -1.295 -13.931 -2.401 1.00 0.00 C ATOM 484 O ASP A 36 -1.513 -14.742 -1.499 1.00 0.00 O ATOM 485 CB ASP A 36 -1.573 -13.400 -4.851 1.00 0.00 C ATOM 486 CG ASP A 36 -1.317 -11.919 -5.069 1.00 0.00 C ATOM 487 OD1 ASP A 36 -0.618 -11.296 -4.245 1.00 0.00 O ATOM 488 OD2 ASP A 36 -1.811 -11.380 -6.075 1.00 0.00 O ATOM 0 H ASP A 36 -2.857 -11.734 -3.202 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.851 -14.653 -3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.620 -13.929 -4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.167 -13.782 -5.682 1.00 0.00 H new ATOM 493 N GLY A 37 -0.216 -13.185 -2.452 1.00 0.00 N ATOM 494 CA GLY A 37 0.807 -13.269 -1.444 1.00 0.00 C ATOM 495 C GLY A 37 1.694 -12.042 -1.440 1.00 0.00 C ATOM 496 O GLY A 37 2.351 -11.742 -0.445 1.00 0.00 O ATOM 0 H GLY A 37 -0.026 -12.507 -3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.343 -13.386 -0.464 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.415 -14.157 -1.617 1.00 0.00 H new ATOM 500 N LYS A 38 1.709 -11.326 -2.561 1.00 0.00 N ATOM 501 CA LYS A 38 2.510 -10.119 -2.703 1.00 0.00 C ATOM 502 C LYS A 38 1.829 -8.934 -2.028 1.00 0.00 C ATOM 503 O LYS A 38 1.255 -8.078 -2.699 1.00 0.00 O ATOM 504 CB LYS A 38 2.714 -9.809 -4.187 1.00 0.00 C ATOM 505 CG LYS A 38 3.295 -10.968 -4.958 1.00 0.00 C ATOM 506 CD LYS A 38 3.323 -10.710 -6.455 1.00 0.00 C ATOM 507 CE LYS A 38 3.990 -11.857 -7.196 1.00 0.00 C ATOM 508 NZ LYS A 38 4.120 -11.591 -8.656 1.00 0.00 N ATOM 0 H LYS A 38 1.168 -11.567 -3.392 1.00 0.00 H new ATOM 0 HA LYS A 38 3.474 -10.287 -2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.758 -9.529 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.374 -8.947 -4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.308 -11.164 -4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.709 -11.865 -4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.306 -10.578 -6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.858 -9.782 -6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.979 -12.034 -6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.411 -12.768 -7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.580 -12.402 -9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.176 -11.449 -9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.695 -10.737 -8.803 1.00 0.00 H new ATOM 522 N MET A 39 1.889 -8.878 -0.703 1.00 0.00 N ATOM 523 CA MET A 39 1.275 -7.783 0.025 1.00 0.00 C ATOM 524 C MET A 39 1.965 -6.469 -0.332 1.00 0.00 C ATOM 525 O MET A 39 3.192 -6.400 -0.415 1.00 0.00 O ATOM 526 CB MET A 39 1.297 -8.053 1.531 1.00 0.00 C ATOM 527 CG MET A 39 0.471 -9.268 1.930 1.00 0.00 C ATOM 528 SD MET A 39 0.435 -9.546 3.712 1.00 0.00 S ATOM 529 CE MET A 39 2.061 -10.238 3.988 1.00 0.00 C ATOM 0 H MET A 39 2.353 -9.573 -0.118 1.00 0.00 H new ATOM 0 HA MET A 39 0.228 -7.700 -0.268 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.328 -8.200 1.853 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.920 -7.176 2.057 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.549 -9.141 1.568 1.00 0.00 H new ATOM 0 HG3 MET A 39 0.876 -10.153 1.439 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.964 -11.263 4.345 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.623 -10.230 3.054 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.588 -9.643 4.734 1.00 0.00 H new ATOM 539 N TRP A 40 1.159 -5.452 -0.587 1.00 0.00 N ATOM 540 CA TRP A 40 1.642 -4.143 -0.994 1.00 0.00 C ATOM 541 C TRP A 40 1.112 -3.039 -0.070 1.00 0.00 C ATOM 542 O TRP A 40 0.642 -3.314 1.030 1.00 0.00 O ATOM 543 CB TRP A 40 1.168 -3.869 -2.433 1.00 0.00 C ATOM 544 CG TRP A 40 -0.331 -3.892 -2.557 1.00 0.00 C ATOM 545 CD1 TRP A 40 -1.165 -4.974 -2.483 1.00 0.00 C ATOM 546 CD2 TRP A 40 -1.179 -2.755 -2.727 1.00 0.00 C ATOM 547 NE1 TRP A 40 -2.467 -4.570 -2.600 1.00 0.00 N ATOM 548 CE2 TRP A 40 -2.501 -3.219 -2.752 1.00 0.00 C ATOM 549 CE3 TRP A 40 -0.946 -1.393 -2.867 1.00 0.00 C ATOM 550 CZ2 TRP A 40 -3.582 -2.364 -2.898 1.00 0.00 C ATOM 551 CZ3 TRP A 40 -2.019 -0.545 -3.014 1.00 0.00 C ATOM 552 CH2 TRP A 40 -3.322 -1.034 -3.027 1.00 0.00 C ATOM 0 H TRP A 40 0.143 -5.512 -0.517 1.00 0.00 H new ATOM 0 HA TRP A 40 2.730 -4.140 -0.936 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.542 -2.898 -2.757 1.00 0.00 H new ATOM 0 HB3 TRP A 40 1.597 -4.615 -3.102 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.843 -5.996 -2.352 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.281 -5.184 -2.577 1.00 0.00 H new ATOM 0 HE3 TRP A 40 0.062 -1.006 -2.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -4.595 -2.740 -2.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.848 0.516 -3.121 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.144 -0.343 -3.142 1.00 0.00 H new ATOM 563 N CYS A 41 1.163 -1.801 -0.557 1.00 0.00 N ATOM 564 CA CYS A 41 0.666 -0.632 0.170 1.00 0.00 C ATOM 565 C CYS A 41 0.636 0.578 -0.764 1.00 0.00 C ATOM 566 O CYS A 41 1.378 0.620 -1.745 1.00 0.00 O ATOM 567 CB CYS A 41 1.502 -0.330 1.420 1.00 0.00 C ATOM 568 SG CYS A 41 3.309 -0.408 1.188 1.00 0.00 S ATOM 0 H CYS A 41 1.553 -1.578 -1.473 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.345 -0.854 0.512 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.241 0.665 1.779 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.222 -1.035 2.203 1.00 0.00 H new ATOM 573 N ALA A 42 -0.229 1.550 -0.480 1.00 0.00 N ATOM 574 CA ALA A 42 -0.337 2.735 -1.327 1.00 0.00 C ATOM 575 C ALA A 42 0.781 3.708 -1.041 1.00 0.00 C ATOM 576 O ALA A 42 1.246 3.818 0.091 1.00 0.00 O ATOM 577 CB ALA A 42 -1.670 3.425 -1.127 1.00 0.00 C ATOM 0 H ALA A 42 -0.859 1.541 0.322 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.262 2.403 -2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.725 4.304 -1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.477 2.738 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.769 3.730 -0.085 1.00 0.00 H new ATOM 583 N THR A 43 1.198 4.420 -2.066 1.00 0.00 N ATOM 584 CA THR A 43 2.254 5.393 -1.926 1.00 0.00 C ATOM 585 C THR A 43 1.659 6.793 -1.838 1.00 0.00 C ATOM 586 O THR A 43 2.372 7.798 -1.812 1.00 0.00 O ATOM 587 CB THR A 43 3.231 5.239 -3.088 1.00 0.00 C ATOM 588 OG1 THR A 43 2.608 5.509 -4.333 1.00 0.00 O ATOM 589 CG2 THR A 43 3.787 3.837 -3.164 1.00 0.00 C ATOM 0 H THR A 43 0.818 4.341 -3.009 1.00 0.00 H new ATOM 0 HA THR A 43 2.810 5.228 -1.003 1.00 0.00 H new ATOM 0 HB THR A 43 4.031 5.955 -2.901 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.975 4.913 -5.019 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.479 3.765 -4.003 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.314 3.604 -2.239 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.970 3.129 -3.305 1.00 0.00 H new ATOM 597 N THR A 44 0.335 6.830 -1.757 1.00 0.00 N ATOM 598 CA THR A 44 -0.408 8.069 -1.632 1.00 0.00 C ATOM 599 C THR A 44 -1.364 7.958 -0.447 1.00 0.00 C ATOM 600 O THR A 44 -1.709 6.850 -0.030 1.00 0.00 O ATOM 601 CB THR A 44 -1.181 8.366 -2.924 1.00 0.00 C ATOM 602 OG1 THR A 44 -2.055 7.295 -3.252 1.00 0.00 O ATOM 603 CG2 THR A 44 -0.285 8.601 -4.121 1.00 0.00 C ATOM 0 H THR A 44 -0.252 5.996 -1.777 1.00 0.00 H new ATOM 0 HA THR A 44 0.285 8.893 -1.461 1.00 0.00 H new ATOM 0 HB THR A 44 -1.736 9.281 -2.716 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.984 7.603 -3.200 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.897 8.805 -4.999 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.366 9.453 -3.926 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.323 7.714 -4.300 1.00 0.00 H new ATOM 611 N ALA A 45 -1.783 9.095 0.097 1.00 0.00 N ATOM 612 CA ALA A 45 -2.699 9.104 1.237 1.00 0.00 C ATOM 613 C ALA A 45 -4.023 8.451 0.870 1.00 0.00 C ATOM 614 O ALA A 45 -4.568 7.649 1.628 1.00 0.00 O ATOM 615 CB ALA A 45 -2.923 10.524 1.724 1.00 0.00 C ATOM 0 H ALA A 45 -1.506 10.021 -0.230 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.247 8.527 2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.607 10.514 2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.971 10.958 2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.352 11.121 0.919 1.00 0.00 H new ATOM 621 N ASN A 46 -4.523 8.768 -0.310 1.00 0.00 N ATOM 622 CA ASN A 46 -5.760 8.182 -0.785 1.00 0.00 C ATOM 623 C ASN A 46 -5.480 7.423 -2.070 1.00 0.00 C ATOM 624 O ASN A 46 -5.251 8.023 -3.119 1.00 0.00 O ATOM 625 CB ASN A 46 -6.828 9.251 -1.012 1.00 0.00 C ATOM 626 CG ASN A 46 -8.160 8.662 -1.429 1.00 0.00 C ATOM 627 OD1 ASN A 46 -8.296 8.106 -2.512 1.00 0.00 O ATOM 628 ND2 ASN A 46 -9.144 8.762 -0.554 1.00 0.00 N ATOM 0 H ASN A 46 -4.091 9.428 -0.956 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.144 7.497 -0.029 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.960 9.828 -0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.485 9.945 -1.779 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.060 8.368 -0.769 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.988 9.233 0.337 1.00 0.00 H new ATOM 635 N TYR A 47 -5.474 6.103 -1.981 1.00 0.00 N ATOM 636 CA TYR A 47 -5.198 5.267 -3.141 1.00 0.00 C ATOM 637 C TYR A 47 -6.360 5.297 -4.120 1.00 0.00 C ATOM 638 O TYR A 47 -6.148 5.294 -5.318 1.00 0.00 O ATOM 639 CB TYR A 47 -4.904 3.823 -2.727 1.00 0.00 C ATOM 640 CG TYR A 47 -4.477 2.928 -3.875 1.00 0.00 C ATOM 641 CD1 TYR A 47 -5.405 2.369 -4.750 1.00 0.00 C ATOM 642 CD2 TYR A 47 -3.139 2.650 -4.092 1.00 0.00 C ATOM 643 CE1 TYR A 47 -5.000 1.565 -5.801 1.00 0.00 C ATOM 644 CE2 TYR A 47 -2.735 1.847 -5.137 1.00 0.00 C ATOM 645 CZ TYR A 47 -3.669 1.307 -5.987 1.00 0.00 C ATOM 646 OH TYR A 47 -3.269 0.512 -7.033 1.00 0.00 O ATOM 0 H TYR A 47 -5.656 5.587 -1.120 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.313 5.673 -3.632 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -4.120 3.825 -1.970 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.795 3.400 -2.262 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.457 2.566 -4.606 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.397 3.070 -3.430 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.732 1.142 -6.473 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.685 1.643 -5.287 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.294 0.557 -7.124 1.00 0.00 H new ATOM 656 N ASP A 48 -7.581 5.312 -3.603 1.00 0.00 N ATOM 657 CA ASP A 48 -8.785 5.329 -4.439 1.00 0.00 C ATOM 658 C ASP A 48 -8.691 6.341 -5.587 1.00 0.00 C ATOM 659 O ASP A 48 -9.193 6.091 -6.685 1.00 0.00 O ATOM 660 CB ASP A 48 -10.013 5.641 -3.586 1.00 0.00 C ATOM 661 CG ASP A 48 -10.422 4.484 -2.706 1.00 0.00 C ATOM 662 OD1 ASP A 48 -9.768 3.426 -2.770 1.00 0.00 O ATOM 663 OD2 ASP A 48 -11.406 4.632 -1.950 1.00 0.00 O ATOM 0 H ASP A 48 -7.770 5.313 -2.601 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.877 4.337 -4.881 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.805 6.511 -2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.845 5.908 -4.238 1.00 0.00 H new ATOM 668 N ASP A 49 -8.069 7.481 -5.326 1.00 0.00 N ATOM 669 CA ASP A 49 -7.931 8.526 -6.334 1.00 0.00 C ATOM 670 C ASP A 49 -6.647 8.404 -7.162 1.00 0.00 C ATOM 671 O ASP A 49 -6.704 8.248 -8.382 1.00 0.00 O ATOM 672 CB ASP A 49 -7.960 9.908 -5.678 1.00 0.00 C ATOM 673 CG ASP A 49 -9.360 10.381 -5.365 1.00 0.00 C ATOM 674 OD1 ASP A 49 -9.999 9.808 -4.468 1.00 0.00 O ATOM 675 OD2 ASP A 49 -9.825 11.330 -6.031 1.00 0.00 O ATOM 0 H ASP A 49 -7.651 7.708 -4.424 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.776 8.401 -7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.377 9.880 -4.757 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.478 10.628 -6.339 1.00 0.00 H new ATOM 680 N ASP A 50 -5.495 8.541 -6.505 1.00 0.00 N ATOM 681 CA ASP A 50 -4.190 8.515 -7.189 1.00 0.00 C ATOM 682 C ASP A 50 -3.729 7.119 -7.622 1.00 0.00 C ATOM 683 O ASP A 50 -2.863 7.010 -8.490 1.00 0.00 O ATOM 684 CB ASP A 50 -3.110 9.138 -6.300 1.00 0.00 C ATOM 685 CG ASP A 50 -3.273 10.630 -6.130 1.00 0.00 C ATOM 686 OD1 ASP A 50 -4.250 11.058 -5.484 1.00 0.00 O ATOM 687 OD2 ASP A 50 -2.425 11.380 -6.654 1.00 0.00 O ATOM 0 H ASP A 50 -5.433 8.672 -5.495 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.334 9.096 -8.100 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.135 8.662 -5.320 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.130 8.932 -6.730 1.00 0.00 H new ATOM 692 N ARG A 51 -4.310 6.078 -7.033 1.00 0.00 N ATOM 693 CA ARG A 51 -3.985 4.684 -7.328 1.00 0.00 C ATOM 694 C ARG A 51 -2.526 4.405 -7.660 1.00 0.00 C ATOM 695 O ARG A 51 -2.210 3.803 -8.690 1.00 0.00 O ATOM 696 CB ARG A 51 -4.892 4.186 -8.417 1.00 0.00 C ATOM 697 CG ARG A 51 -6.316 4.166 -7.950 1.00 0.00 C ATOM 698 CD ARG A 51 -7.218 3.638 -9.005 1.00 0.00 C ATOM 699 NE ARG A 51 -7.278 4.530 -10.162 1.00 0.00 N ATOM 700 CZ ARG A 51 -8.037 4.315 -11.228 1.00 0.00 C ATOM 701 NH1 ARG A 51 -8.825 3.249 -11.285 1.00 0.00 N ATOM 702 NH2 ARG A 51 -8.008 5.172 -12.239 1.00 0.00 N ATOM 0 H ARG A 51 -5.035 6.181 -6.323 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.151 4.135 -6.401 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.801 4.826 -9.295 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.589 3.184 -8.720 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.399 3.550 -7.054 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.625 5.174 -7.674 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.871 2.654 -9.322 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.219 3.506 -8.595 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.700 5.370 -10.148 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.849 2.590 -10.507 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.407 3.088 -12.107 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.404 5.993 -12.195 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.590 5.011 -13.061 1.00 0.00 H new ATOM 716 N LYS A 52 -1.643 4.778 -6.753 1.00 0.00 N ATOM 717 CA LYS A 52 -0.231 4.501 -6.916 1.00 0.00 C ATOM 718 C LYS A 52 0.171 3.531 -5.825 1.00 0.00 C ATOM 719 O LYS A 52 0.015 3.810 -4.636 1.00 0.00 O ATOM 720 CB LYS A 52 0.597 5.785 -6.904 1.00 0.00 C ATOM 721 CG LYS A 52 0.497 6.544 -8.219 1.00 0.00 C ATOM 722 CD LYS A 52 1.079 7.946 -8.128 1.00 0.00 C ATOM 723 CE LYS A 52 0.965 8.659 -9.467 1.00 0.00 C ATOM 724 NZ LYS A 52 1.492 10.046 -9.420 1.00 0.00 N ATOM 0 H LYS A 52 -1.881 5.275 -5.894 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.037 4.049 -7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.259 6.426 -6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.641 5.541 -6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.019 5.987 -8.997 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.549 6.607 -8.520 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.554 8.515 -7.361 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.125 7.893 -7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.508 8.093 -10.224 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.080 8.681 -9.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.391 10.488 -10.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.958 10.597 -8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.497 10.027 -9.153 1.00 0.00 H new ATOM 738 N TRP A 53 0.581 2.348 -6.239 1.00 0.00 N ATOM 739 CA TRP A 53 0.888 1.295 -5.297 1.00 0.00 C ATOM 740 C TRP A 53 2.282 0.711 -5.452 1.00 0.00 C ATOM 741 O TRP A 53 2.993 0.958 -6.431 1.00 0.00 O ATOM 742 CB TRP A 53 -0.146 0.194 -5.463 1.00 0.00 C ATOM 743 CG TRP A 53 -0.071 -0.523 -6.766 1.00 0.00 C ATOM 744 CD1 TRP A 53 -0.298 -0.048 -8.027 1.00 0.00 C ATOM 745 CD2 TRP A 53 0.270 -1.874 -6.896 1.00 0.00 C ATOM 746 NE1 TRP A 53 -0.097 -1.057 -8.941 1.00 0.00 N ATOM 747 CE2 TRP A 53 0.247 -2.200 -8.260 1.00 0.00 C ATOM 748 CE3 TRP A 53 0.592 -2.830 -5.965 1.00 0.00 C ATOM 749 CZ2 TRP A 53 0.552 -3.482 -8.713 1.00 0.00 C ATOM 750 CZ3 TRP A 53 0.890 -4.103 -6.399 1.00 0.00 C ATOM 751 CH2 TRP A 53 0.870 -4.424 -7.766 1.00 0.00 C ATOM 0 H TRP A 53 0.708 2.094 -7.219 1.00 0.00 H new ATOM 0 HA TRP A 53 0.859 1.735 -4.300 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -0.024 -0.528 -4.656 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -1.141 0.626 -5.356 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.590 0.963 -8.269 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.188 -0.971 -9.953 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.611 -2.589 -4.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.539 -3.725 -9.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.143 -4.866 -5.677 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.109 -5.430 -8.078 1.00 0.00 H new ATOM 762 N GLY A 54 2.629 -0.088 -4.456 1.00 0.00 N ATOM 763 CA GLY A 54 3.906 -0.766 -4.400 1.00 0.00 C ATOM 764 C GLY A 54 3.891 -1.829 -3.321 1.00 0.00 C ATOM 765 O GLY A 54 3.223 -1.665 -2.308 1.00 0.00 O ATOM 0 H GLY A 54 2.024 -0.283 -3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.126 -1.222 -5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.699 -0.046 -4.199 1.00 0.00 H new ATOM 769 N PHE A 55 4.605 -2.925 -3.541 1.00 0.00 N ATOM 770 CA PHE A 55 4.662 -4.030 -2.591 1.00 0.00 C ATOM 771 C PHE A 55 5.262 -3.612 -1.250 1.00 0.00 C ATOM 772 O PHE A 55 5.926 -2.584 -1.139 1.00 0.00 O ATOM 773 CB PHE A 55 5.491 -5.171 -3.173 1.00 0.00 C ATOM 774 CG PHE A 55 4.830 -5.934 -4.282 1.00 0.00 C ATOM 775 CD1 PHE A 55 3.527 -5.662 -4.662 1.00 0.00 C ATOM 776 CD2 PHE A 55 5.514 -6.947 -4.928 1.00 0.00 C ATOM 777 CE1 PHE A 55 2.923 -6.384 -5.672 1.00 0.00 C ATOM 778 CE2 PHE A 55 4.914 -7.674 -5.937 1.00 0.00 C ATOM 779 CZ PHE A 55 3.613 -7.390 -6.308 1.00 0.00 C ATOM 0 H PHE A 55 5.161 -3.074 -4.383 1.00 0.00 H new ATOM 0 HA PHE A 55 3.636 -4.354 -2.414 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.432 -4.764 -3.543 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.738 -5.866 -2.371 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.977 -4.877 -4.163 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.530 -7.172 -4.640 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.908 -6.159 -5.963 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.459 -8.462 -6.435 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.139 -7.957 -7.096 1.00 0.00 H new ATOM 789 N CYS A 56 5.027 -4.449 -0.251 1.00 0.00 N ATOM 790 CA CYS A 56 5.527 -4.234 1.095 1.00 0.00 C ATOM 791 C CYS A 56 7.011 -4.580 1.148 1.00 0.00 C ATOM 792 O CYS A 56 7.442 -5.560 0.540 1.00 0.00 O ATOM 793 CB CYS A 56 4.736 -5.117 2.067 1.00 0.00 C ATOM 794 SG CYS A 56 4.770 -4.562 3.799 1.00 0.00 S ATOM 0 H CYS A 56 4.479 -5.303 -0.354 1.00 0.00 H new ATOM 0 HA CYS A 56 5.403 -3.189 1.379 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.699 -5.161 1.734 1.00 0.00 H new ATOM 0 HB3 CYS A 56 5.130 -6.132 2.017 1.00 0.00 H new ATOM 799 N PRO A 57 7.820 -3.778 1.862 1.00 0.00 N ATOM 800 CA PRO A 57 9.272 -3.994 1.985 1.00 0.00 C ATOM 801 C PRO A 57 9.621 -5.198 2.843 1.00 0.00 C ATOM 802 O PRO A 57 8.902 -6.194 2.853 1.00 0.00 O ATOM 803 CB PRO A 57 9.747 -2.705 2.642 1.00 0.00 C ATOM 804 CG PRO A 57 8.594 -2.330 3.476 1.00 0.00 C ATOM 805 CD PRO A 57 7.396 -2.583 2.610 1.00 0.00 C ATOM 0 HA PRO A 57 9.740 -4.205 1.023 1.00 0.00 H new ATOM 0 HB2 PRO A 57 10.646 -2.861 3.238 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.982 -1.937 1.905 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.555 -2.925 4.388 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.649 -1.285 3.780 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.496 -2.765 3.198 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.181 -1.742 1.951 1.00 0.00 H new ATOM 813 N ASP A 58 10.731 -5.096 3.557 1.00 0.00 N ATOM 814 CA ASP A 58 11.188 -6.174 4.432 1.00 0.00 C ATOM 815 C ASP A 58 10.098 -6.507 5.447 1.00 0.00 C ATOM 816 O ASP A 58 9.763 -5.685 6.302 1.00 0.00 O ATOM 817 CB ASP A 58 12.477 -5.769 5.154 1.00 0.00 C ATOM 818 CG ASP A 58 13.198 -6.948 5.773 1.00 0.00 C ATOM 819 OD1 ASP A 58 12.657 -7.555 6.716 1.00 0.00 O ATOM 820 OD2 ASP A 58 14.306 -7.275 5.306 1.00 0.00 O ATOM 0 H ASP A 58 11.337 -4.276 3.550 1.00 0.00 H new ATOM 0 HA ASP A 58 11.397 -7.056 3.827 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.142 -5.272 4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.239 -5.044 5.933 1.00 0.00 H new ATOM 825 N GLN A 59 9.521 -7.695 5.316 1.00 0.00 N ATOM 826 CA GLN A 59 8.435 -8.126 6.189 1.00 0.00 C ATOM 827 C GLN A 59 8.885 -9.207 7.168 1.00 0.00 C ATOM 828 O GLN A 59 10.061 -9.303 7.521 1.00 0.00 O ATOM 829 CB GLN A 59 7.281 -8.654 5.333 1.00 0.00 C ATOM 830 CG GLN A 59 6.766 -7.648 4.326 1.00 0.00 C ATOM 831 CD GLN A 59 5.823 -8.259 3.315 1.00 0.00 C ATOM 832 OE1 GLN A 59 4.769 -8.779 3.668 1.00 0.00 O ATOM 833 NE2 GLN A 59 6.204 -8.205 2.047 1.00 0.00 N ATOM 0 H GLN A 59 9.788 -8.381 4.610 1.00 0.00 H new ATOM 0 HA GLN A 59 8.111 -7.266 6.775 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.611 -9.549 4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.462 -8.954 5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.254 -6.843 4.853 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.611 -7.200 3.803 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.089 -7.763 1.799 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.612 -8.606 1.319 1.00 0.00 H new ATOM 842 N GLY A 60 7.927 -10.017 7.606 1.00 0.00 N ATOM 843 CA GLY A 60 8.212 -11.085 8.538 1.00 0.00 C ATOM 844 C GLY A 60 7.304 -12.274 8.323 1.00 0.00 C ATOM 845 O GLY A 60 7.222 -13.133 9.218 1.00 0.00 O ATOM 0 H GLY A 60 6.948 -9.949 7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.251 -11.396 8.428 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.096 -10.718 9.558 1.00 0.00 H new TER 849 GLY A 60