USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 379 hydrogens (5 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 8 DSN H : B 8 DSN N : B 7 CYS C :(H bumps) USER MOD Set 1.1: B 8 DSN OG : rot -140:sc= 0.28 USER MOD Set 1.2: B 26 TYR OH : rot 163:sc= -21.8! USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0709 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.7!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 33:sc= 0.556 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.74) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot -120:sc= -2.53! USER MOD Single : A 21 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.0064) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : B 4 GLN : amide:sc= -0.0805 K(o=-0.081,f=-1.2!) USER MOD Single : B 5 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-0.45) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 35:sc= 0.721 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.074 4.502 4.207 1.00 0.00 N ATOM 2 CA GLY A 1 -7.009 3.498 3.931 1.00 0.00 C ATOM 3 C GLY A 1 -5.616 4.092 4.015 1.00 0.00 C ATOM 4 O GLY A 1 -5.452 5.311 4.000 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.566 4.252 5.088 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.646 5.445 4.305 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.755 4.511 3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.094 2.677 4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.161 3.075 2.938 1.00 0.00 H new ATOM 10 N ILE A 2 -4.612 3.226 4.103 1.00 0.00 N ATOM 11 CA ILE A 2 -3.223 3.669 4.189 1.00 0.00 C ATOM 12 C ILE A 2 -2.729 4.201 2.845 1.00 0.00 C ATOM 13 O ILE A 2 -1.756 4.954 2.786 1.00 0.00 O ATOM 14 CB ILE A 2 -2.291 2.532 4.655 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.950 1.721 5.776 1.00 0.00 C ATOM 16 CG2 ILE A 2 -0.959 3.101 5.120 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.528 0.403 5.310 1.00 0.00 C ATOM 0 H ILE A 2 -4.733 2.213 4.117 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.196 4.471 4.927 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.109 1.865 3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.213 1.530 6.556 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.744 2.317 6.226 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.310 2.288 5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.485 3.636 4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.126 3.787 5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.978 -0.117 6.156 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.289 0.587 4.551 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.735 -0.213 4.886 1.00 0.00 H new ATOM 29 N VAL A 3 -3.407 3.809 1.769 1.00 0.00 N ATOM 30 CA VAL A 3 -3.038 4.252 0.427 1.00 0.00 C ATOM 31 C VAL A 3 -3.241 5.756 0.259 1.00 0.00 C ATOM 32 O VAL A 3 -2.781 6.342 -0.721 1.00 0.00 O ATOM 33 CB VAL A 3 -3.856 3.519 -0.652 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.343 3.777 -0.465 1.00 0.00 C ATOM 35 CG2 VAL A 3 -3.405 3.946 -2.040 1.00 0.00 C ATOM 0 H VAL A 3 -4.214 3.186 1.800 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.981 4.015 0.303 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.683 2.448 -0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.904 3.250 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.654 3.419 0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.539 4.847 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.993 3.419 -2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.549 5.020 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.350 3.705 -2.170 1.00 0.00 H new ATOM 45 N GLU A 4 -3.940 6.376 1.211 1.00 0.00 N ATOM 46 CA GLU A 4 -4.214 7.811 1.159 1.00 0.00 C ATOM 47 C GLU A 4 -3.004 8.596 0.657 1.00 0.00 C ATOM 48 O GLU A 4 -3.096 9.312 -0.336 1.00 0.00 O ATOM 49 CB GLU A 4 -4.633 8.324 2.539 1.00 0.00 C ATOM 50 CG GLU A 4 -3.757 7.823 3.675 1.00 0.00 C ATOM 51 CD GLU A 4 -4.490 7.781 5.002 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.182 8.767 5.330 1.00 0.00 O ATOM 53 OE2 GLU A 4 -4.373 6.760 5.713 1.00 0.00 O ATOM 0 H GLU A 4 -4.327 5.905 2.029 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.031 7.964 0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.613 9.414 2.532 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.664 8.025 2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.392 6.825 3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.883 8.468 3.767 1.00 0.00 H new ATOM 60 N GLN A 5 -1.873 8.451 1.343 1.00 0.00 N ATOM 61 CA GLN A 5 -0.645 9.149 0.962 1.00 0.00 C ATOM 62 C GLN A 5 -0.298 8.901 -0.505 1.00 0.00 C ATOM 63 O GLN A 5 0.179 9.800 -1.199 1.00 0.00 O ATOM 64 CB GLN A 5 0.514 8.704 1.856 1.00 0.00 C ATOM 65 CG GLN A 5 0.704 9.579 3.085 1.00 0.00 C ATOM 66 CD GLN A 5 2.157 9.943 3.322 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.982 9.882 2.412 1.00 0.00 O ATOM 68 NE2 GLN A 5 2.476 10.325 4.554 1.00 0.00 N ATOM 0 H GLN A 5 -1.780 7.856 2.166 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.812 10.218 1.095 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.342 7.676 2.175 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.434 8.707 1.272 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.119 10.491 2.971 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.316 9.059 3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.759 10.361 5.279 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.438 10.582 4.775 1.00 0.00 H new ATOM 77 N CYS A 6 -0.539 7.682 -0.972 1.00 0.00 N ATOM 78 CA CYS A 6 -0.256 7.322 -2.358 1.00 0.00 C ATOM 79 C CYS A 6 -1.264 7.958 -3.296 1.00 0.00 C ATOM 80 O CYS A 6 -0.943 8.888 -4.036 1.00 0.00 O ATOM 81 CB CYS A 6 -0.274 5.801 -2.529 1.00 0.00 C ATOM 82 SG CYS A 6 0.523 4.877 -1.176 1.00 0.00 S ATOM 0 H CYS A 6 -0.930 6.925 -0.412 1.00 0.00 H new ATOM 0 HA CYS A 6 0.737 7.696 -2.608 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.309 5.471 -2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.222 5.548 -3.466 1.00 0.00 H new ATOM 87 N CYS A 7 -2.480 7.444 -3.266 1.00 0.00 N ATOM 88 CA CYS A 7 -3.546 7.942 -4.115 1.00 0.00 C ATOM 89 C CYS A 7 -3.704 9.467 -4.040 1.00 0.00 C ATOM 90 O CYS A 7 -4.317 10.067 -4.924 1.00 0.00 O ATOM 91 CB CYS A 7 -4.850 7.256 -3.728 1.00 0.00 C ATOM 92 SG CYS A 7 -5.583 6.195 -5.019 1.00 0.00 S ATOM 0 H CYS A 7 -2.755 6.674 -2.656 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.285 7.710 -5.148 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.673 6.650 -2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.576 8.021 -3.453 1.00 0.00 H new ATOM 97 N THR A 8 -3.172 10.098 -2.990 1.00 0.00 N ATOM 98 CA THR A 8 -3.295 11.547 -2.845 1.00 0.00 C ATOM 99 C THR A 8 -2.093 12.288 -3.435 1.00 0.00 C ATOM 100 O THR A 8 -2.262 13.240 -4.198 1.00 0.00 O ATOM 101 CB THR A 8 -3.471 11.922 -1.371 1.00 0.00 C ATOM 102 OG1 THR A 8 -3.917 13.261 -1.244 1.00 0.00 O ATOM 103 CG2 THR A 8 -2.204 11.782 -0.560 1.00 0.00 C ATOM 0 H THR A 8 -2.660 9.635 -2.239 1.00 0.00 H new ATOM 0 HA THR A 8 -4.179 11.854 -3.405 1.00 0.00 H new ATOM 0 HB THR A 8 -4.209 11.220 -0.982 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.025 13.481 -0.295 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.401 12.064 0.474 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.862 10.748 -0.595 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.434 12.433 -0.973 1.00 0.00 H new ATOM 111 N SER A 9 -0.883 11.862 -3.079 1.00 0.00 N ATOM 112 CA SER A 9 0.324 12.512 -3.581 1.00 0.00 C ATOM 113 C SER A 9 1.531 11.575 -3.535 1.00 0.00 C ATOM 114 O SER A 9 1.853 10.927 -4.526 1.00 0.00 O ATOM 115 CB SER A 9 0.613 13.784 -2.780 1.00 0.00 C ATOM 116 OG SER A 9 -0.049 14.904 -3.344 1.00 0.00 O ATOM 0 H SER A 9 -0.713 11.077 -2.451 1.00 0.00 H new ATOM 0 HA SER A 9 0.148 12.776 -4.624 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.290 13.649 -1.748 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.687 13.966 -2.757 1.00 0.00 H new ATOM 0 HG SER A 9 -0.898 14.617 -3.741 1.00 0.00 H new ATOM 122 N ILE A 10 2.201 11.514 -2.386 1.00 0.00 N ATOM 123 CA ILE A 10 3.376 10.659 -2.230 1.00 0.00 C ATOM 124 C ILE A 10 3.240 9.744 -1.016 1.00 0.00 C ATOM 125 O ILE A 10 2.575 10.090 -0.040 1.00 0.00 O ATOM 126 CB ILE A 10 4.664 11.496 -2.081 1.00 0.00 C ATOM 127 CG1 ILE A 10 4.757 12.535 -3.203 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.892 10.595 -2.074 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.101 11.943 -4.554 1.00 0.00 C ATOM 0 H ILE A 10 1.951 12.045 -1.552 1.00 0.00 H new ATOM 0 HA ILE A 10 3.443 10.052 -3.133 1.00 0.00 H new ATOM 0 HB ILE A 10 4.627 12.023 -1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.806 13.061 -3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.511 13.276 -2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.790 11.204 -1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.827 9.897 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.940 10.038 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.149 12.738 -5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.067 11.441 -4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.335 11.223 -4.842 1.00 0.00 H new ATOM 141 N CYS A 11 3.878 8.579 -1.082 1.00 0.00 N ATOM 142 CA CYS A 11 3.829 7.618 0.017 1.00 0.00 C ATOM 143 C CYS A 11 5.017 6.656 -0.037 1.00 0.00 C ATOM 144 O CYS A 11 6.040 6.954 -0.654 1.00 0.00 O ATOM 145 CB CYS A 11 2.508 6.842 -0.018 1.00 0.00 C ATOM 146 SG CYS A 11 2.451 5.498 -1.247 1.00 0.00 S ATOM 0 H CYS A 11 4.434 8.277 -1.882 1.00 0.00 H new ATOM 0 HA CYS A 11 3.889 8.170 0.955 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.323 6.421 0.970 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.697 7.540 -0.224 1.00 0.00 H new ATOM 151 N SER A 12 4.877 5.502 0.615 1.00 0.00 N ATOM 152 CA SER A 12 5.940 4.506 0.640 1.00 0.00 C ATOM 153 C SER A 12 5.412 3.121 0.269 1.00 0.00 C ATOM 154 O SER A 12 4.289 2.750 0.624 1.00 0.00 O ATOM 155 CB SER A 12 6.592 4.463 2.024 1.00 0.00 C ATOM 156 OG SER A 12 7.944 4.886 1.964 1.00 0.00 O ATOM 0 H SER A 12 4.038 5.237 1.131 1.00 0.00 H new ATOM 0 HA SER A 12 6.686 4.794 -0.100 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.038 5.103 2.711 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.542 3.449 2.422 1.00 0.00 H new ATOM 0 HG SER A 12 8.338 4.851 2.861 1.00 0.00 H new ATOM 162 N LEU A 13 6.234 2.356 -0.441 1.00 0.00 N ATOM 163 CA LEU A 13 5.860 1.011 -0.855 1.00 0.00 C ATOM 164 C LEU A 13 5.601 0.121 0.357 1.00 0.00 C ATOM 165 O LEU A 13 4.935 -0.908 0.249 1.00 0.00 O ATOM 166 CB LEU A 13 6.961 0.404 -1.730 1.00 0.00 C ATOM 167 CG LEU A 13 6.968 0.866 -3.192 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.064 -0.018 -4.035 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.540 2.325 -3.305 1.00 0.00 C ATOM 0 H LEU A 13 7.165 2.646 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 13 4.939 1.075 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.928 0.643 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.861 -0.681 -1.710 1.00 0.00 H new ATOM 0 HG LEU A 13 7.987 0.780 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.082 0.325 -5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.416 -1.048 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.045 0.034 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.553 2.628 -4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.532 2.440 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.228 2.951 -2.737 1.00 0.00 H new ATOM 181 N TYR A 14 6.115 0.532 1.516 1.00 0.00 N ATOM 182 CA TYR A 14 5.920 -0.224 2.746 1.00 0.00 C ATOM 183 C TYR A 14 4.431 -0.350 3.042 1.00 0.00 C ATOM 184 O TYR A 14 3.959 -1.390 3.503 1.00 0.00 O ATOM 185 CB TYR A 14 6.643 0.460 3.911 1.00 0.00 C ATOM 186 CG TYR A 14 6.294 -0.106 5.271 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.005 -1.173 5.805 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.254 0.430 6.019 1.00 0.00 C ATOM 189 CE1 TYR A 14 6.688 -1.690 7.047 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.931 -0.081 7.262 1.00 0.00 C ATOM 191 CZ TYR A 14 5.651 -1.141 7.770 1.00 0.00 C ATOM 192 OH TYR A 14 5.331 -1.653 9.008 1.00 0.00 O ATOM 0 H TYR A 14 6.668 1.382 1.626 1.00 0.00 H new ATOM 0 HA TYR A 14 6.340 -1.222 2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.719 0.374 3.758 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.404 1.523 3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.818 -1.605 5.241 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.688 1.260 5.623 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.250 -2.520 7.449 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.120 0.348 7.832 1.00 0.00 H new ATOM 0 HH TYR A 14 4.577 -1.152 9.384 1.00 0.00 H new ATOM 202 N GLN A 15 3.697 0.719 2.756 1.00 0.00 N ATOM 203 CA GLN A 15 2.258 0.740 2.971 1.00 0.00 C ATOM 204 C GLN A 15 1.569 -0.190 1.982 1.00 0.00 C ATOM 205 O GLN A 15 0.625 -0.898 2.331 1.00 0.00 O ATOM 206 CB GLN A 15 1.721 2.161 2.813 1.00 0.00 C ATOM 207 CG GLN A 15 2.421 3.179 3.700 1.00 0.00 C ATOM 208 CD GLN A 15 2.286 4.598 3.182 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.229 5.387 3.247 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.108 4.931 2.665 1.00 0.00 N ATOM 0 H GLN A 15 4.078 1.584 2.373 1.00 0.00 H new ATOM 0 HA GLN A 15 2.050 0.397 3.984 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.825 2.466 1.772 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.655 2.165 3.041 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.007 3.123 4.707 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.478 2.923 3.775 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.354 4.245 2.631 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.958 5.872 2.302 1.00 0.00 H new ATOM 219 N LEU A 16 2.058 -0.187 0.744 1.00 0.00 N ATOM 220 CA LEU A 16 1.499 -1.037 -0.303 1.00 0.00 C ATOM 221 C LEU A 16 1.497 -2.500 0.133 1.00 0.00 C ATOM 222 O LEU A 16 0.561 -3.244 -0.160 1.00 0.00 O ATOM 223 CB LEU A 16 2.303 -0.881 -1.600 1.00 0.00 C ATOM 224 CG LEU A 16 2.034 0.398 -2.403 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.860 0.202 -3.346 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.779 1.579 -1.480 1.00 0.00 C ATOM 0 H LEU A 16 2.840 0.394 0.442 1.00 0.00 H new ATOM 0 HA LEU A 16 0.470 -0.725 -0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.364 -0.916 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.095 -1.739 -2.239 1.00 0.00 H new ATOM 0 HG LEU A 16 2.923 0.614 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.686 1.121 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.082 -0.609 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.032 -0.046 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.591 2.472 -2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.911 1.371 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.652 1.741 -0.847 1.00 0.00 H new ATOM 238 N GLU A 17 2.550 -2.904 0.837 1.00 0.00 N ATOM 239 CA GLU A 17 2.670 -4.278 1.315 1.00 0.00 C ATOM 240 C GLU A 17 1.534 -4.619 2.274 1.00 0.00 C ATOM 241 O GLU A 17 1.044 -5.747 2.296 1.00 0.00 O ATOM 242 CB GLU A 17 4.019 -4.482 2.012 1.00 0.00 C ATOM 243 CG GLU A 17 5.101 -5.035 1.099 1.00 0.00 C ATOM 244 CD GLU A 17 6.345 -5.455 1.857 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.519 -5.004 3.009 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.144 -6.236 1.300 1.00 0.00 O ATOM 0 H GLU A 17 3.332 -2.300 1.089 1.00 0.00 H new ATOM 0 HA GLU A 17 2.609 -4.944 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.354 -3.529 2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.884 -5.161 2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.707 -5.891 0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.368 -4.280 0.360 1.00 0.00 H new ATOM 253 N ASN A 18 1.121 -3.636 3.067 1.00 0.00 N ATOM 254 CA ASN A 18 0.042 -3.831 4.029 1.00 0.00 C ATOM 255 C ASN A 18 -1.233 -4.299 3.332 1.00 0.00 C ATOM 256 O ASN A 18 -2.045 -5.017 3.916 1.00 0.00 O ATOM 257 CB ASN A 18 -0.228 -2.534 4.794 1.00 0.00 C ATOM 258 CG ASN A 18 -0.909 -2.778 6.126 1.00 0.00 C ATOM 259 OD1 ASN A 18 -2.119 -3.001 6.187 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.134 -2.736 7.204 1.00 0.00 N ATOM 0 H ASN A 18 1.517 -2.696 3.063 1.00 0.00 H new ATOM 0 HA ASN A 18 0.353 -4.603 4.733 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.714 -2.012 4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.852 -1.880 4.185 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.537 -2.892 8.128 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.864 -2.548 7.108 1.00 0.00 H new ATOM 267 N TYR A 19 -1.399 -3.887 2.080 1.00 0.00 N ATOM 268 CA TYR A 19 -2.573 -4.260 1.300 1.00 0.00 C ATOM 269 C TYR A 19 -2.478 -5.712 0.839 1.00 0.00 C ATOM 270 O TYR A 19 -3.486 -6.412 0.748 1.00 0.00 O ATOM 271 CB TYR A 19 -2.717 -3.335 0.091 1.00 0.00 C ATOM 272 CG TYR A 19 -3.295 -1.981 0.431 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.789 -1.236 1.488 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.347 -1.450 -0.302 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.317 0.001 1.805 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.881 -0.215 0.008 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.363 0.508 1.062 1.00 0.00 C ATOM 278 OH TYR A 19 -4.893 1.737 1.374 1.00 0.00 O ATOM 0 H TYR A 19 -0.734 -3.294 1.583 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.453 -4.157 1.935 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.739 -3.198 -0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.354 -3.817 -0.651 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.970 -1.630 2.072 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.755 -2.012 -1.129 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.913 0.568 2.630 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.700 0.183 -0.572 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.843 1.637 1.595 1.00 0.00 H new ATOM 288 N CYS A 20 -1.257 -6.154 0.553 1.00 0.00 N ATOM 289 CA CYS A 20 -1.014 -7.525 0.103 1.00 0.00 C ATOM 290 C CYS A 20 -1.784 -8.533 0.957 1.00 0.00 C ATOM 291 O CYS A 20 -2.168 -8.233 2.088 1.00 0.00 O ATOM 292 CB CYS A 20 0.487 -7.826 0.155 1.00 0.00 C ATOM 293 SG CYS A 20 0.932 -9.554 -0.221 1.00 0.00 S ATOM 0 H CYS A 20 -0.416 -5.582 0.625 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.368 -7.618 -0.924 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.999 -7.172 -0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.859 -7.577 1.149 1.00 0.00 H new ATOM 298 N ASN A 21 -2.006 -9.727 0.405 1.00 0.00 N ATOM 299 CA ASN A 21 -2.730 -10.785 1.109 1.00 0.00 C ATOM 300 C ASN A 21 -4.236 -10.554 1.034 1.00 0.00 C ATOM 301 O ASN A 21 -4.691 -9.502 0.584 1.00 0.00 O ATOM 302 CB ASN A 21 -2.287 -10.872 2.574 1.00 0.00 C ATOM 303 CG ASN A 21 -2.526 -12.245 3.173 1.00 0.00 C ATOM 304 OD1 ASN A 21 -3.212 -12.381 4.186 1.00 0.00 O ATOM 305 ND2 ASN A 21 -1.961 -13.271 2.548 1.00 0.00 N ATOM 0 H ASN A 21 -1.693 -9.985 -0.531 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.495 -11.730 0.618 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.227 -10.628 2.645 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.826 -10.126 3.158 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.088 -14.218 2.905 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.400 -13.112 1.711 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 11.575 1.162 -4.246 1.00 0.00 N ATOM 314 CA PHE B 1 11.336 2.482 -4.816 1.00 0.00 C ATOM 315 C PHE B 1 10.226 3.210 -4.057 1.00 0.00 C ATOM 316 O PHE B 1 9.340 2.579 -3.480 1.00 0.00 O ATOM 317 CB PHE B 1 10.955 2.356 -6.290 1.00 0.00 C ATOM 318 CG PHE B 1 9.555 2.801 -6.533 1.00 0.00 C ATOM 319 CD1 PHE B 1 9.273 4.138 -6.716 1.00 0.00 C ATOM 320 CD2 PHE B 1 8.521 1.890 -6.515 1.00 0.00 C ATOM 321 CE1 PHE B 1 7.980 4.564 -6.889 1.00 0.00 C ATOM 322 CE2 PHE B 1 7.224 2.303 -6.680 1.00 0.00 C ATOM 323 CZ PHE B 1 6.944 3.643 -6.870 1.00 0.00 C ATOM 0 H1 PHE B 1 12.332 0.686 -4.777 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.859 1.260 -3.250 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.704 0.596 -4.303 1.00 0.00 H new ATOM 0 HA PHE B 1 12.255 3.062 -4.728 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.637 2.953 -6.895 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.069 1.320 -6.609 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.078 4.858 -6.723 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.734 0.841 -6.370 1.00 0.00 H new ATOM 0 HE1 PHE B 1 7.770 5.613 -7.039 1.00 0.00 H new ATOM 0 HE2 PHE B 1 6.421 1.581 -6.661 1.00 0.00 H new ATOM 0 HZ PHE B 1 5.924 3.971 -7.003 1.00 0.00 H new ATOM 333 N VAL B 2 10.276 4.540 -4.082 1.00 0.00 N ATOM 334 CA VAL B 2 9.273 5.370 -3.414 1.00 0.00 C ATOM 335 C VAL B 2 9.282 6.794 -3.989 1.00 0.00 C ATOM 336 O VAL B 2 9.726 7.011 -5.116 1.00 0.00 O ATOM 337 CB VAL B 2 9.530 5.433 -1.896 1.00 0.00 C ATOM 338 CG1 VAL B 2 9.531 4.045 -1.280 1.00 0.00 C ATOM 339 CG2 VAL B 2 10.841 6.143 -1.627 1.00 0.00 C ATOM 0 H VAL B 2 11.005 5.070 -4.560 1.00 0.00 H new ATOM 0 HA VAL B 2 8.298 4.915 -3.589 1.00 0.00 H new ATOM 0 HB VAL B 2 8.721 5.996 -1.431 1.00 0.00 H new ATOM 0 HG11 VAL B 2 9.715 4.123 -0.208 1.00 0.00 H new ATOM 0 HG12 VAL B 2 8.564 3.571 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.315 3.443 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.018 6.185 -0.552 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.654 5.600 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.795 7.156 -2.027 1.00 0.00 H new ATOM 349 N ASN B 3 8.805 7.763 -3.202 1.00 0.00 N ATOM 350 CA ASN B 3 8.778 9.158 -3.628 1.00 0.00 C ATOM 351 C ASN B 3 7.911 9.343 -4.869 1.00 0.00 C ATOM 352 O ASN B 3 8.247 10.117 -5.764 1.00 0.00 O ATOM 353 CB ASN B 3 10.201 9.651 -3.900 1.00 0.00 C ATOM 354 CG ASN B 3 10.687 10.626 -2.844 1.00 0.00 C ATOM 355 OD1 ASN B 3 10.603 11.841 -3.018 1.00 0.00 O ATOM 356 ND2 ASN B 3 11.197 10.094 -1.739 1.00 0.00 N ATOM 0 H ASN B 3 8.433 7.603 -2.266 1.00 0.00 H new ATOM 0 HA ASN B 3 8.341 9.748 -2.823 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.877 8.797 -3.941 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.235 10.132 -4.878 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.538 10.699 -0.992 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.247 9.080 -1.637 1.00 0.00 H new ATOM 363 N GLN B 4 6.794 8.628 -4.916 1.00 0.00 N ATOM 364 CA GLN B 4 5.885 8.722 -6.054 1.00 0.00 C ATOM 365 C GLN B 4 4.436 8.510 -5.629 1.00 0.00 C ATOM 366 O GLN B 4 4.163 7.936 -4.573 1.00 0.00 O ATOM 367 CB GLN B 4 6.267 7.689 -7.116 1.00 0.00 C ATOM 368 CG GLN B 4 5.334 7.669 -8.317 1.00 0.00 C ATOM 369 CD GLN B 4 5.949 6.985 -9.522 1.00 0.00 C ATOM 370 OE1 GLN B 4 7.160 7.047 -9.735 1.00 0.00 O ATOM 371 NE2 GLN B 4 5.115 6.328 -10.319 1.00 0.00 N ATOM 0 H GLN B 4 6.496 7.981 -4.186 1.00 0.00 H new ATOM 0 HA GLN B 4 5.974 9.726 -6.470 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.281 7.893 -7.459 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.278 6.699 -6.659 1.00 0.00 H new ATOM 0 HG2 GLN B 4 4.410 7.158 -8.046 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.067 8.692 -8.582 1.00 0.00 H new ATOM 0 HE21 GLN B 4 4.118 6.303 -10.104 1.00 0.00 H new ATOM 0 HE22 GLN B 4 5.471 5.849 -11.146 1.00 0.00 H new ATOM 380 N HIS B 5 3.510 8.960 -6.473 1.00 0.00 N ATOM 381 CA HIS B 5 2.086 8.797 -6.200 1.00 0.00 C ATOM 382 C HIS B 5 1.667 7.384 -6.570 1.00 0.00 C ATOM 383 O HIS B 5 1.928 6.927 -7.683 1.00 0.00 O ATOM 384 CB HIS B 5 1.238 9.820 -6.978 1.00 0.00 C ATOM 385 CG HIS B 5 2.022 10.943 -7.590 1.00 0.00 C ATOM 386 ND1 HIS B 5 2.015 11.214 -8.943 1.00 0.00 N ATOM 387 CD2 HIS B 5 2.838 11.868 -7.029 1.00 0.00 C ATOM 388 CE1 HIS B 5 2.793 12.254 -9.187 1.00 0.00 C ATOM 389 NE2 HIS B 5 3.303 12.669 -8.043 1.00 0.00 N ATOM 0 H HIS B 5 3.720 9.439 -7.349 1.00 0.00 H new ATOM 0 HA HIS B 5 1.916 8.972 -5.138 1.00 0.00 H new ATOM 0 HB2 HIS B 5 0.698 9.299 -7.768 1.00 0.00 H new ATOM 0 HB3 HIS B 5 0.491 10.240 -6.305 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.078 11.958 -5.980 1.00 0.00 H new ATOM 0 HE1 HIS B 5 2.980 12.690 -10.157 1.00 0.00 H new ATOM 0 HE2 HIS B 5 3.940 13.458 -7.930 1.00 0.00 H new ATOM 398 N LEU B 6 1.035 6.684 -5.636 1.00 0.00 N ATOM 399 CA LEU B 6 0.615 5.317 -5.885 1.00 0.00 C ATOM 400 C LEU B 6 -0.892 5.184 -5.727 1.00 0.00 C ATOM 401 O LEU B 6 -1.402 4.785 -4.681 1.00 0.00 O ATOM 402 CB LEU B 6 1.370 4.359 -4.957 1.00 0.00 C ATOM 403 CG LEU B 6 2.758 3.945 -5.446 1.00 0.00 C ATOM 404 CD1 LEU B 6 2.638 2.868 -6.500 1.00 0.00 C ATOM 405 CD2 LEU B 6 3.513 5.141 -6.000 1.00 0.00 C ATOM 0 H LEU B 6 0.805 7.039 -4.708 1.00 0.00 H new ATOM 0 HA LEU B 6 0.859 5.049 -6.913 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.471 4.829 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.767 3.461 -4.818 1.00 0.00 H new ATOM 0 HG LEU B 6 3.318 3.550 -4.598 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.632 2.581 -6.841 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.134 1.999 -6.077 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.060 3.247 -7.343 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.498 4.823 -6.342 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.958 5.566 -6.836 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.626 5.894 -5.220 1.00 0.00 H new ATOM 417 N CYS B 7 -1.592 5.550 -6.786 1.00 0.00 N ATOM 418 CA CYS B 7 -3.041 5.518 -6.825 1.00 0.00 C ATOM 419 C CYS B 7 -3.544 4.514 -7.865 1.00 0.00 C ATOM 420 O CYS B 7 -2.931 4.339 -8.917 1.00 0.00 O ATOM 421 CB CYS B 7 -3.551 6.920 -7.162 1.00 0.00 C ATOM 422 SG CYS B 7 -5.301 7.220 -6.747 1.00 0.00 S ATOM 0 H CYS B 7 -1.165 5.881 -7.651 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.417 5.203 -5.852 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.937 7.651 -6.635 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.410 7.095 -8.229 1.00 0.00 H new HETATM 427 N DSN B 8 -4.673 3.873 -7.563 1.00 0.00 N HETATM 428 CA DSN B 8 -5.288 2.897 -8.462 1.00 0.00 C HETATM 429 C DSN B 8 -4.242 2.011 -9.164 1.00 0.00 C HETATM 430 O DSN B 8 -3.369 1.442 -8.508 1.00 0.00 O HETATM 431 CB DSN B 8 -6.150 1.919 -7.625 1.00 0.00 C HETATM 432 OG DSN B 8 -6.816 0.938 -8.428 1.00 0.00 O HETATM 0 HG DSN B 8 -7.723 0.795 -8.085 1.00 0.00 H new HETATM 0 HB3 DSN B 8 -5.515 1.415 -6.896 1.00 0.00 H new HETATM 0 HB2 DSN B 8 -6.892 2.486 -7.063 1.00 0.00 H new HETATM 0 HA DSN B 8 -5.859 3.464 -9.197 1.00 0.00 H new HETATM 0 H2 DSN B 8 -5.259 4.521 -7.037 1.00 0.00 H new ATOM 438 N SER B 9 -4.336 1.892 -10.495 1.00 0.00 N ATOM 439 CA SER B 9 -3.410 1.069 -11.280 1.00 0.00 C ATOM 440 C SER B 9 -1.938 1.434 -11.046 1.00 0.00 C ATOM 441 O SER B 9 -1.043 0.800 -11.605 1.00 0.00 O ATOM 442 CB SER B 9 -3.736 1.200 -12.768 1.00 0.00 C ATOM 443 OG SER B 9 -3.374 2.478 -13.260 1.00 0.00 O ATOM 0 H SER B 9 -5.050 2.360 -11.053 1.00 0.00 H new ATOM 0 HA SER B 9 -3.543 0.039 -10.948 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.208 0.429 -13.328 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.802 1.035 -12.926 1.00 0.00 H new ATOM 0 HG SER B 9 -3.591 2.535 -14.214 1.00 0.00 H new ATOM 449 N ASP B 10 -1.687 2.433 -10.208 1.00 0.00 N ATOM 450 CA ASP B 10 -0.321 2.847 -9.896 1.00 0.00 C ATOM 451 C ASP B 10 0.155 2.077 -8.685 1.00 0.00 C ATOM 452 O ASP B 10 1.144 1.347 -8.741 1.00 0.00 O ATOM 453 CB ASP B 10 -0.245 4.350 -9.623 1.00 0.00 C ATOM 454 CG ASP B 10 -0.999 5.166 -10.655 1.00 0.00 C ATOM 455 OD1 ASP B 10 -1.122 4.701 -11.807 1.00 0.00 O ATOM 456 OD2 ASP B 10 -1.466 6.272 -10.311 1.00 0.00 O ATOM 0 H ASP B 10 -2.410 2.972 -9.732 1.00 0.00 H new ATOM 0 HA ASP B 10 0.318 2.634 -10.753 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.651 4.557 -8.633 1.00 0.00 H new ATOM 0 HB3 ASP B 10 0.799 4.661 -9.611 1.00 0.00 H new ATOM 461 N LEU B 11 -0.601 2.204 -7.601 1.00 0.00 N ATOM 462 CA LEU B 11 -0.302 1.477 -6.391 1.00 0.00 C ATOM 463 C LEU B 11 -0.556 0.015 -6.670 1.00 0.00 C ATOM 464 O LEU B 11 0.073 -0.860 -6.093 1.00 0.00 O ATOM 465 CB LEU B 11 -1.144 1.997 -5.229 1.00 0.00 C ATOM 466 CG LEU B 11 -2.287 1.109 -4.771 1.00 0.00 C ATOM 467 CD1 LEU B 11 -2.527 1.297 -3.291 1.00 0.00 C ATOM 468 CD2 LEU B 11 -3.524 1.442 -5.566 1.00 0.00 C ATOM 0 H LEU B 11 -1.423 2.805 -7.543 1.00 0.00 H new ATOM 0 HA LEU B 11 0.738 1.616 -6.097 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.484 2.169 -4.379 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.557 2.965 -5.513 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.032 0.063 -4.940 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.349 0.656 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.625 1.032 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.781 2.338 -3.093 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.348 0.807 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.788 2.488 -5.408 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.332 1.273 -6.626 1.00 0.00 H new ATOM 480 N VAL B 12 -1.466 -0.228 -7.609 1.00 0.00 N ATOM 481 CA VAL B 12 -1.791 -1.572 -8.026 1.00 0.00 C ATOM 482 C VAL B 12 -0.521 -2.267 -8.483 1.00 0.00 C ATOM 483 O VAL B 12 -0.226 -3.388 -8.069 1.00 0.00 O ATOM 484 CB VAL B 12 -2.824 -1.552 -9.164 1.00 0.00 C ATOM 485 CG1 VAL B 12 -2.946 -2.905 -9.816 1.00 0.00 C ATOM 486 CG2 VAL B 12 -4.169 -1.100 -8.643 1.00 0.00 C ATOM 0 H VAL B 12 -1.990 0.500 -8.094 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.226 -2.114 -7.186 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.479 -0.845 -9.918 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.684 -2.858 -10.617 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.981 -3.198 -10.229 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.261 -3.639 -9.075 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.891 -1.090 -9.460 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.508 -1.786 -7.867 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.079 -0.097 -8.226 1.00 0.00 H new ATOM 496 N GLU B 13 0.255 -1.564 -9.307 1.00 0.00 N ATOM 497 CA GLU B 13 1.525 -2.091 -9.779 1.00 0.00 C ATOM 498 C GLU B 13 2.346 -2.491 -8.566 1.00 0.00 C ATOM 499 O GLU B 13 2.662 -3.664 -8.378 1.00 0.00 O ATOM 500 CB GLU B 13 2.272 -1.046 -10.612 1.00 0.00 C ATOM 501 CG GLU B 13 1.978 -1.132 -12.101 1.00 0.00 C ATOM 502 CD GLU B 13 3.091 -1.806 -12.879 1.00 0.00 C ATOM 503 OE1 GLU B 13 4.231 -1.298 -12.843 1.00 0.00 O ATOM 504 OE2 GLU B 13 2.822 -2.841 -13.524 1.00 0.00 O ATOM 0 H GLU B 13 0.024 -0.634 -9.657 1.00 0.00 H new ATOM 0 HA GLU B 13 1.353 -2.956 -10.420 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.007 -0.051 -10.255 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.344 -1.166 -10.454 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.049 -1.682 -12.253 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.821 -0.128 -12.495 1.00 0.00 H new ATOM 511 N ALA B 14 2.636 -1.508 -7.710 1.00 0.00 N ATOM 512 CA ALA B 14 3.361 -1.760 -6.481 1.00 0.00 C ATOM 513 C ALA B 14 2.675 -2.894 -5.733 1.00 0.00 C ATOM 514 O ALA B 14 3.221 -3.969 -5.614 1.00 0.00 O ATOM 515 CB ALA B 14 3.427 -0.495 -5.634 1.00 0.00 C ATOM 0 H ALA B 14 2.376 -0.532 -7.854 1.00 0.00 H new ATOM 0 HA ALA B 14 4.387 -2.053 -6.706 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.975 -0.701 -4.714 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.937 0.290 -6.192 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.416 -0.168 -5.389 1.00 0.00 H new ATOM 521 N LEU B 15 1.448 -2.658 -5.275 1.00 0.00 N ATOM 522 CA LEU B 15 0.664 -3.674 -4.567 1.00 0.00 C ATOM 523 C LEU B 15 0.900 -5.053 -5.171 1.00 0.00 C ATOM 524 O LEU B 15 0.947 -6.058 -4.465 1.00 0.00 O ATOM 525 CB LEU B 15 -0.824 -3.343 -4.693 1.00 0.00 C ATOM 526 CG LEU B 15 -1.581 -3.198 -3.385 1.00 0.00 C ATOM 527 CD1 LEU B 15 -1.434 -4.437 -2.526 1.00 0.00 C ATOM 528 CD2 LEU B 15 -1.102 -1.978 -2.646 1.00 0.00 C ATOM 0 H LEU B 15 0.969 -1.764 -5.382 1.00 0.00 H new ATOM 0 HA LEU B 15 0.972 -3.679 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.924 -2.414 -5.254 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.302 -4.125 -5.283 1.00 0.00 H new ATOM 0 HG LEU B 15 -2.640 -3.079 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.987 -4.303 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.829 -5.300 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.380 -4.601 -2.301 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.650 -1.882 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.037 -2.075 -2.435 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.271 -1.092 -3.258 1.00 0.00 H new ATOM 540 N TYR B 16 1.052 -5.081 -6.486 1.00 0.00 N ATOM 541 CA TYR B 16 1.289 -6.321 -7.208 1.00 0.00 C ATOM 542 C TYR B 16 2.742 -6.784 -7.046 1.00 0.00 C ATOM 543 O TYR B 16 3.004 -7.927 -6.665 1.00 0.00 O ATOM 544 CB TYR B 16 0.958 -6.116 -8.689 1.00 0.00 C ATOM 545 CG TYR B 16 -0.434 -6.544 -9.078 1.00 0.00 C ATOM 546 CD1 TYR B 16 -1.016 -7.679 -8.532 1.00 0.00 C ATOM 547 CD2 TYR B 16 -1.174 -5.797 -9.986 1.00 0.00 C ATOM 548 CE1 TYR B 16 -2.298 -8.059 -8.879 1.00 0.00 C ATOM 549 CE2 TYR B 16 -2.456 -6.170 -10.338 1.00 0.00 C ATOM 550 CZ TYR B 16 -3.015 -7.300 -9.782 1.00 0.00 C ATOM 551 OH TYR B 16 -4.292 -7.676 -10.129 1.00 0.00 O ATOM 0 H TYR B 16 1.015 -4.252 -7.079 1.00 0.00 H new ATOM 0 HA TYR B 16 0.645 -7.097 -6.794 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.083 -5.061 -8.935 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.678 -6.671 -9.290 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -0.458 -8.275 -7.825 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.740 -4.910 -10.424 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.737 -8.946 -8.446 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.018 -5.579 -11.046 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.658 -7.035 -10.774 1.00 0.00 H new ATOM 561 N LEU B 17 3.683 -5.886 -7.334 1.00 0.00 N ATOM 562 CA LEU B 17 5.111 -6.198 -7.227 1.00 0.00 C ATOM 563 C LEU B 17 5.617 -6.029 -5.796 1.00 0.00 C ATOM 564 O LEU B 17 6.720 -6.460 -5.460 1.00 0.00 O ATOM 565 CB LEU B 17 5.920 -5.318 -8.178 1.00 0.00 C ATOM 566 CG LEU B 17 5.602 -3.827 -8.106 1.00 0.00 C ATOM 567 CD1 LEU B 17 6.516 -3.131 -7.115 1.00 0.00 C ATOM 568 CD2 LEU B 17 5.713 -3.188 -9.482 1.00 0.00 C ATOM 0 H LEU B 17 3.484 -4.935 -7.644 1.00 0.00 H new ATOM 0 HA LEU B 17 5.243 -7.243 -7.507 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.980 -5.459 -7.966 1.00 0.00 H new ATOM 0 HB3 LEU B 17 5.751 -5.661 -9.199 1.00 0.00 H new ATOM 0 HG LEU B 17 4.575 -3.713 -7.759 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.272 -2.069 -7.079 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.380 -3.568 -6.126 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.553 -3.255 -7.427 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.483 -2.125 -9.409 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.727 -3.314 -9.861 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.009 -3.666 -10.163 1.00 0.00 H new ATOM 580 N VAL B 18 4.798 -5.410 -4.960 1.00 0.00 N ATOM 581 CA VAL B 18 5.125 -5.185 -3.568 1.00 0.00 C ATOM 582 C VAL B 18 4.636 -6.370 -2.754 1.00 0.00 C ATOM 583 O VAL B 18 5.382 -6.956 -1.969 1.00 0.00 O ATOM 584 CB VAL B 18 4.483 -3.866 -3.064 1.00 0.00 C ATOM 585 CG1 VAL B 18 3.566 -4.092 -1.874 1.00 0.00 C ATOM 586 CG2 VAL B 18 5.550 -2.837 -2.740 1.00 0.00 C ATOM 0 H VAL B 18 3.884 -5.049 -5.233 1.00 0.00 H new ATOM 0 HA VAL B 18 6.205 -5.089 -3.455 1.00 0.00 H new ATOM 0 HB VAL B 18 3.864 -3.479 -3.874 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.140 -3.140 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.763 -4.772 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.136 -4.526 -1.053 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.077 -1.920 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.207 -3.227 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.134 -2.624 -3.636 1.00 0.00 H new ATOM 596 N CYS B 19 3.372 -6.733 -2.973 1.00 0.00 N ATOM 597 CA CYS B 19 2.775 -7.870 -2.284 1.00 0.00 C ATOM 598 C CYS B 19 3.708 -9.077 -2.359 1.00 0.00 C ATOM 599 O CYS B 19 3.843 -9.833 -1.397 1.00 0.00 O ATOM 600 CB CYS B 19 1.412 -8.208 -2.898 1.00 0.00 C ATOM 601 SG CYS B 19 0.634 -9.713 -2.222 1.00 0.00 S ATOM 0 H CYS B 19 2.746 -6.256 -3.621 1.00 0.00 H new ATOM 0 HA CYS B 19 2.626 -7.608 -1.236 1.00 0.00 H new ATOM 0 HB2 CYS B 19 0.739 -7.365 -2.744 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.532 -8.328 -3.975 1.00 0.00 H new ATOM 606 N GLY B 20 4.363 -9.239 -3.507 1.00 0.00 N ATOM 607 CA GLY B 20 5.289 -10.344 -3.681 1.00 0.00 C ATOM 608 C GLY B 20 4.879 -11.286 -4.793 1.00 0.00 C ATOM 609 O GLY B 20 5.120 -12.490 -4.715 1.00 0.00 O ATOM 0 H GLY B 20 4.269 -8.626 -4.317 1.00 0.00 H new ATOM 0 HA2 GLY B 20 6.282 -9.949 -3.894 1.00 0.00 H new ATOM 0 HA3 GLY B 20 5.361 -10.902 -2.747 1.00 0.00 H new ATOM 613 N GLU B 21 4.252 -10.739 -5.831 1.00 0.00 N ATOM 614 CA GLU B 21 3.804 -11.544 -6.963 1.00 0.00 C ATOM 615 C GLU B 21 3.003 -12.754 -6.488 1.00 0.00 C ATOM 616 O GLU B 21 2.926 -13.771 -7.177 1.00 0.00 O ATOM 617 CB GLU B 21 5.002 -12.006 -7.794 1.00 0.00 C ATOM 618 CG GLU B 21 5.410 -11.020 -8.875 1.00 0.00 C ATOM 619 CD GLU B 21 6.798 -10.450 -8.655 1.00 0.00 C ATOM 620 OE1 GLU B 21 7.041 -9.884 -7.568 1.00 0.00 O ATOM 621 OE2 GLU B 21 7.641 -10.568 -9.568 1.00 0.00 O ATOM 0 H GLU B 21 4.043 -9.744 -5.911 1.00 0.00 H new ATOM 0 HA GLU B 21 3.158 -10.924 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU B 21 5.850 -12.176 -7.130 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.764 -12.963 -8.258 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.375 -11.516 -9.845 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.688 -10.204 -8.908 1.00 0.00 H new ATOM 628 N ARG B 22 2.404 -12.634 -5.306 1.00 0.00 N ATOM 629 CA ARG B 22 1.608 -13.713 -4.739 1.00 0.00 C ATOM 630 C ARG B 22 0.127 -13.467 -4.988 1.00 0.00 C ATOM 631 O ARG B 22 -0.618 -14.385 -5.333 1.00 0.00 O ATOM 632 CB ARG B 22 1.875 -13.841 -3.238 1.00 0.00 C ATOM 633 CG ARG B 22 3.011 -14.794 -2.902 1.00 0.00 C ATOM 634 CD ARG B 22 2.488 -16.158 -2.482 1.00 0.00 C ATOM 635 NE ARG B 22 3.329 -16.776 -1.461 1.00 0.00 N ATOM 636 CZ ARG B 22 3.147 -18.011 -0.998 1.00 0.00 C ATOM 637 NH1 ARG B 22 2.157 -18.762 -1.462 1.00 0.00 N ATOM 638 NH2 ARG B 22 3.960 -18.497 -0.070 1.00 0.00 N ATOM 0 H ARG B 22 2.456 -11.798 -4.724 1.00 0.00 H new ATOM 0 HA ARG B 22 1.895 -14.645 -5.226 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.106 -12.856 -2.833 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.966 -14.183 -2.743 1.00 0.00 H new ATOM 0 HG2 ARG B 22 3.663 -14.904 -3.768 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.616 -14.372 -2.099 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.472 -16.055 -2.101 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.437 -16.811 -3.353 1.00 0.00 H new ATOM 0 HE ARG B 22 4.101 -16.229 -1.080 1.00 0.00 H new ATOM 0 HH11 ARG B 22 1.530 -18.394 -2.178 1.00 0.00 H new ATOM 0 HH12 ARG B 22 2.023 -19.707 -1.103 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.724 -17.925 0.289 1.00 0.00 H new ATOM 0 HH22 ARG B 22 3.821 -19.443 0.285 1.00 0.00 H new ATOM 652 N GLY B 23 -0.292 -12.218 -4.818 1.00 0.00 N ATOM 653 CA GLY B 23 -1.681 -11.871 -5.038 1.00 0.00 C ATOM 654 C GLY B 23 -2.209 -10.857 -4.041 1.00 0.00 C ATOM 655 O GLY B 23 -2.354 -11.154 -2.854 1.00 0.00 O ATOM 0 H GLY B 23 0.305 -11.442 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.794 -11.472 -6.046 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.288 -12.775 -4.983 1.00 0.00 H new ATOM 659 N PHE B 24 -2.517 -9.662 -4.533 1.00 0.00 N ATOM 660 CA PHE B 24 -3.059 -8.603 -3.689 1.00 0.00 C ATOM 661 C PHE B 24 -4.420 -8.168 -4.209 1.00 0.00 C ATOM 662 O PHE B 24 -4.556 -7.798 -5.376 1.00 0.00 O ATOM 663 CB PHE B 24 -2.139 -7.364 -3.660 1.00 0.00 C ATOM 664 CG PHE B 24 -2.549 -6.309 -4.655 1.00 0.00 C ATOM 665 CD1 PHE B 24 -3.475 -5.327 -4.320 1.00 0.00 C ATOM 666 CD2 PHE B 24 -2.034 -6.321 -5.934 1.00 0.00 C ATOM 667 CE1 PHE B 24 -3.867 -4.382 -5.245 1.00 0.00 C ATOM 668 CE2 PHE B 24 -2.422 -5.379 -6.858 1.00 0.00 C ATOM 669 CZ PHE B 24 -3.334 -4.412 -6.521 1.00 0.00 C ATOM 0 H PHE B 24 -2.401 -9.402 -5.512 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.140 -9.009 -2.681 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.147 -6.935 -2.658 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.114 -7.673 -3.866 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -3.892 -5.304 -3.324 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -1.317 -7.079 -6.214 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.586 -3.623 -4.975 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -2.006 -5.401 -7.854 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.636 -3.675 -7.251 1.00 0.00 H new ATOM 679 N PHE B 25 -5.411 -8.148 -3.340 1.00 0.00 N ATOM 680 CA PHE B 25 -6.714 -7.671 -3.742 1.00 0.00 C ATOM 681 C PHE B 25 -6.642 -6.151 -3.706 1.00 0.00 C ATOM 682 O PHE B 25 -6.177 -5.521 -4.653 1.00 0.00 O ATOM 683 CB PHE B 25 -7.810 -8.208 -2.815 1.00 0.00 C ATOM 684 CG PHE B 25 -8.479 -9.449 -3.331 1.00 0.00 C ATOM 685 CD1 PHE B 25 -9.151 -9.437 -4.543 1.00 0.00 C ATOM 686 CD2 PHE B 25 -8.436 -10.629 -2.604 1.00 0.00 C ATOM 687 CE1 PHE B 25 -9.767 -10.579 -5.020 1.00 0.00 C ATOM 688 CE2 PHE B 25 -9.050 -11.772 -3.076 1.00 0.00 C ATOM 689 CZ PHE B 25 -9.717 -11.748 -4.286 1.00 0.00 C ATOM 0 H PHE B 25 -5.340 -8.451 -2.369 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.972 -8.021 -4.741 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.376 -8.419 -1.837 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.563 -7.433 -2.669 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.194 -8.526 -5.121 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.916 -10.654 -1.658 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.287 -10.557 -5.966 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.009 -12.685 -2.500 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.198 -12.641 -4.657 1.00 0.00 H new ATOM 699 N TYR B 26 -7.038 -5.575 -2.585 1.00 0.00 N ATOM 700 CA TYR B 26 -6.945 -4.144 -2.385 1.00 0.00 C ATOM 701 C TYR B 26 -7.093 -3.792 -0.908 1.00 0.00 C ATOM 702 O TYR B 26 -6.108 -3.542 -0.213 1.00 0.00 O ATOM 703 CB TYR B 26 -7.950 -3.389 -3.244 1.00 0.00 C ATOM 704 CG TYR B 26 -7.281 -2.405 -4.179 1.00 0.00 C ATOM 705 CD1 TYR B 26 -6.109 -1.748 -3.807 1.00 0.00 C ATOM 706 CD2 TYR B 26 -7.816 -2.129 -5.426 1.00 0.00 C ATOM 707 CE1 TYR B 26 -5.502 -0.842 -4.647 1.00 0.00 C ATOM 708 CE2 TYR B 26 -7.211 -1.228 -6.273 1.00 0.00 C ATOM 709 CZ TYR B 26 -6.062 -0.585 -5.884 1.00 0.00 C ATOM 710 OH TYR B 26 -5.484 0.326 -6.732 1.00 0.00 O ATOM 0 H TYR B 26 -7.431 -6.084 -1.793 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.953 -3.828 -2.706 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -8.534 -4.101 -3.827 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.649 -2.856 -2.599 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.669 -1.954 -2.842 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -8.721 -2.628 -5.739 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.597 -0.337 -4.342 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.640 -1.027 -7.243 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.825 0.189 -7.641 1.00 0.00 H new ATOM 720 N THR B 27 -8.338 -3.784 -0.440 1.00 0.00 N ATOM 721 CA THR B 27 -8.640 -3.474 0.953 1.00 0.00 C ATOM 722 C THR B 27 -9.952 -4.130 1.370 1.00 0.00 C ATOM 723 O THR B 27 -10.024 -4.809 2.395 1.00 0.00 O ATOM 724 CB THR B 27 -8.721 -1.960 1.158 1.00 0.00 C ATOM 725 OG1 THR B 27 -8.889 -1.293 -0.080 1.00 0.00 O ATOM 726 CG2 THR B 27 -7.493 -1.382 1.827 1.00 0.00 C ATOM 0 H THR B 27 -9.158 -3.990 -1.010 1.00 0.00 H new ATOM 0 HA THR B 27 -7.837 -3.868 1.576 1.00 0.00 H new ATOM 0 HB THR B 27 -9.580 -1.803 1.810 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.940 -0.326 0.073 1.00 0.00 H new ATOM 0 HG21 THR B 27 -7.615 -0.305 1.943 1.00 0.00 H new ATOM 0 HG22 THR B 27 -7.363 -1.840 2.808 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.615 -1.584 1.213 1.00 0.00 H new ATOM 734 N LYS B 28 -10.985 -3.924 0.562 1.00 0.00 N ATOM 735 CA LYS B 28 -12.301 -4.495 0.830 1.00 0.00 C ATOM 736 C LYS B 28 -12.824 -4.068 2.201 1.00 0.00 C ATOM 737 O LYS B 28 -12.468 -4.660 3.220 1.00 0.00 O ATOM 738 CB LYS B 28 -12.241 -6.023 0.744 1.00 0.00 C ATOM 739 CG LYS B 28 -13.033 -6.597 -0.420 1.00 0.00 C ATOM 740 CD LYS B 28 -12.118 -7.188 -1.484 1.00 0.00 C ATOM 741 CE LYS B 28 -12.552 -6.783 -2.885 1.00 0.00 C ATOM 742 NZ LYS B 28 -11.502 -5.989 -3.583 1.00 0.00 N ATOM 0 H LYS B 28 -10.937 -3.363 -0.289 1.00 0.00 H new ATOM 0 HA LYS B 28 -12.990 -4.119 0.074 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.200 -6.333 0.653 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.619 -6.446 1.674 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.712 -7.368 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.649 -5.814 -0.863 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.095 -6.856 -1.310 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.119 -8.275 -1.402 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.779 -7.676 -3.467 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.470 -6.199 -2.826 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.836 -5.732 -4.534 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.303 -5.124 -3.041 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -10.633 -6.556 -3.662 1.00 0.00 H new ATOM 756 N PRO B 29 -13.682 -3.032 2.246 1.00 0.00 N ATOM 757 CA PRO B 29 -14.253 -2.536 3.501 1.00 0.00 C ATOM 758 C PRO B 29 -15.370 -3.434 4.021 1.00 0.00 C ATOM 759 O PRO B 29 -16.513 -3.342 3.572 1.00 0.00 O ATOM 760 CB PRO B 29 -14.806 -1.168 3.110 1.00 0.00 C ATOM 761 CG PRO B 29 -15.165 -1.307 1.671 1.00 0.00 C ATOM 762 CD PRO B 29 -14.165 -2.266 1.080 1.00 0.00 C ATOM 0 HA PRO B 29 -13.518 -2.503 4.305 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -15.676 -0.905 3.712 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -14.065 -0.383 3.260 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -16.181 -1.685 1.558 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -15.126 -0.342 1.165 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -14.625 -2.917 0.337 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -13.351 -1.739 0.582 1.00 0.00 H new ATOM 770 N THR B 30 -15.032 -4.305 4.968 1.00 0.00 N ATOM 771 CA THR B 30 -16.006 -5.225 5.552 1.00 0.00 C ATOM 772 C THR B 30 -16.795 -5.955 4.468 1.00 0.00 C ATOM 773 O THR B 30 -16.335 -7.027 4.024 1.00 0.00 O ATOM 774 CB THR B 30 -16.964 -4.472 6.477 1.00 0.00 C ATOM 775 OG1 THR B 30 -17.473 -3.313 5.839 1.00 0.00 O ATOM 776 CG2 THR B 30 -16.321 -4.036 7.775 1.00 0.00 C ATOM 777 OXT THR B 30 -17.865 -5.448 4.074 1.00 0.00 O ATOM 0 H THR B 30 -14.090 -4.394 5.348 1.00 0.00 H new ATOM 0 HA THR B 30 -15.457 -5.966 6.133 1.00 0.00 H new ATOM 0 HB THR B 30 -17.762 -5.179 6.704 1.00 0.00 H new ATOM 0 HG1 THR B 30 -17.595 -3.493 4.883 1.00 0.00 H new ATOM 0 HG21 THR B 30 -17.054 -3.508 8.385 1.00 0.00 H new ATOM 0 HG22 THR B 30 -15.963 -4.912 8.316 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.482 -3.374 7.561 1.00 0.00 H new TER 785 THR B 30