USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 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: B 1 PHE N :NH3+ -128:sc= 0.194 (180deg=0.000694) USER MOD Set 1.2: B 3 ASN : amide:sc= -0.0754 K(o=0.12,f=-1.1) USER MOD Set 2.1: A 19 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: B 27 THR OG1 : rot 180:sc= 0.214 USER MOD Set 3.1: A 5 GLN : amide:sc= 0.75 K(o=0.93,f=0.13) USER MOD Set 3.2: A 9 SER OG : rot 180:sc= 0.184 USER MOD Single : A 1 GLY N :NH3+ -173:sc= 1.45 (180deg=1.27) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 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= 0.664 K(o=0.66,f=-5.3!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 GLN : amide:sc=-0.00717 K(o=-0.0072,f=-0.89) USER MOD Single : B 5 HIS : no HE2:sc= 0.503 K(o=0.5,f=-1.9!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0027 USER MOD Single : B 10 HIS : no HD1:sc= -0.0321 X(o=-0.032,f=-0.032) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 170:sc= 1.27 (180deg=1.09) USER MOD Single : B 30 THR OG1 : rot 42:sc= 0.117 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.191 10.510 -2.440 1.00 0.00 N ATOM 2 CA GLY A 1 -3.594 9.099 -2.627 1.00 0.00 C ATOM 3 C GLY A 1 -2.541 8.306 -3.380 1.00 0.00 C ATOM 4 O GLY A 1 -1.502 8.853 -3.756 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.877 10.988 -1.822 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.248 10.547 -2.004 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.164 10.989 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.769 8.639 -1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.537 9.060 -3.172 1.00 0.00 H new ATOM 10 N ILE A 2 -2.777 7.011 -3.617 1.00 0.00 N ATOM 11 CA ILE A 2 -1.804 6.094 -4.253 1.00 0.00 C ATOM 12 C ILE A 2 -1.394 6.535 -5.664 1.00 0.00 C ATOM 13 O ILE A 2 -0.216 6.411 -5.985 1.00 0.00 O ATOM 14 CB ILE A 2 -2.281 4.619 -4.193 1.00 0.00 C ATOM 15 CG1 ILE A 2 -1.239 3.642 -4.783 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.660 4.422 -4.851 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.546 2.163 -4.497 1.00 0.00 C ATOM 0 H ILE A 2 -3.657 6.558 -3.372 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.890 6.152 -3.661 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.389 4.381 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.185 3.791 -5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.257 3.885 -4.378 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.949 3.373 -4.783 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.399 5.036 -4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.609 4.717 -5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.772 1.538 -4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.571 1.998 -3.420 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.513 1.903 -4.926 1.00 0.00 H new ATOM 29 N VAL A 3 -2.288 7.111 -6.474 1.00 0.00 N ATOM 30 CA VAL A 3 -1.913 7.564 -7.832 1.00 0.00 C ATOM 31 C VAL A 3 -0.911 8.726 -7.760 1.00 0.00 C ATOM 32 O VAL A 3 0.093 8.697 -8.462 1.00 0.00 O ATOM 33 CB VAL A 3 -3.117 7.945 -8.718 1.00 0.00 C ATOM 34 CG1 VAL A 3 -2.677 8.258 -10.159 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.166 6.825 -8.771 1.00 0.00 C ATOM 0 H VAL A 3 -3.263 7.276 -6.225 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.443 6.706 -8.312 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.557 8.832 -8.263 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.549 8.523 -10.756 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.975 9.092 -10.152 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.194 7.381 -10.591 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.997 7.134 -9.405 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.714 5.922 -9.180 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.533 6.623 -7.765 1.00 0.00 H new ATOM 45 N GLU A 4 -1.130 9.709 -6.875 1.00 0.00 N ATOM 46 CA GLU A 4 -0.170 10.798 -6.638 1.00 0.00 C ATOM 47 C GLU A 4 1.161 10.253 -6.088 1.00 0.00 C ATOM 48 O GLU A 4 2.235 10.588 -6.597 1.00 0.00 O ATOM 49 CB GLU A 4 -0.801 11.827 -5.684 1.00 0.00 C ATOM 50 CG GLU A 4 0.143 12.992 -5.349 1.00 0.00 C ATOM 51 CD GLU A 4 -0.532 14.061 -4.479 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.214 13.718 -3.484 1.00 0.00 O ATOM 53 OE2 GLU A 4 -0.356 15.269 -4.764 1.00 0.00 O ATOM 0 H GLU A 4 -1.974 9.772 -6.305 1.00 0.00 H new ATOM 0 HA GLU A 4 0.060 11.291 -7.583 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.711 12.222 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.094 11.327 -4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.021 12.607 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.494 13.449 -6.274 1.00 0.00 H new ATOM 60 N GLN A 5 1.094 9.379 -5.077 1.00 0.00 N ATOM 61 CA GLN A 5 2.278 8.825 -4.424 1.00 0.00 C ATOM 62 C GLN A 5 3.129 7.986 -5.387 1.00 0.00 C ATOM 63 O GLN A 5 4.352 8.037 -5.309 1.00 0.00 O ATOM 64 CB GLN A 5 1.843 8.006 -3.196 1.00 0.00 C ATOM 65 CG GLN A 5 3.014 7.452 -2.362 1.00 0.00 C ATOM 66 CD GLN A 5 3.908 8.548 -1.776 1.00 0.00 C ATOM 67 OE1 GLN A 5 3.491 9.336 -0.934 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.153 8.664 -2.185 1.00 0.00 N ATOM 0 H GLN A 5 0.214 9.038 -4.691 1.00 0.00 H new ATOM 0 HA GLN A 5 2.912 9.649 -4.098 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.220 8.632 -2.557 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.223 7.174 -3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.617 6.843 -1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.618 6.795 -2.987 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.522 8.020 -2.885 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.749 9.398 -1.802 1.00 0.00 H new ATOM 77 N CYS A 6 2.513 7.232 -6.302 1.00 0.00 N ATOM 78 CA CYS A 6 3.235 6.398 -7.258 1.00 0.00 C ATOM 79 C CYS A 6 3.679 7.126 -8.533 1.00 0.00 C ATOM 80 O CYS A 6 4.671 6.718 -9.136 1.00 0.00 O ATOM 81 CB CYS A 6 2.348 5.204 -7.617 1.00 0.00 C ATOM 82 SG CYS A 6 2.133 3.975 -6.307 1.00 0.00 S ATOM 0 H CYS A 6 1.499 7.185 -6.398 1.00 0.00 H new ATOM 0 HA CYS A 6 4.160 6.085 -6.774 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.366 5.577 -7.907 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.771 4.708 -8.491 1.00 0.00 H new ATOM 87 N CYS A 7 2.952 8.155 -8.975 1.00 0.00 N ATOM 88 CA CYS A 7 3.118 8.724 -10.324 1.00 0.00 C ATOM 89 C CYS A 7 3.994 9.985 -10.347 1.00 0.00 C ATOM 90 O CYS A 7 4.998 10.010 -11.068 1.00 0.00 O ATOM 91 CB CYS A 7 1.745 8.986 -10.955 1.00 0.00 C ATOM 92 SG CYS A 7 1.789 9.494 -12.696 1.00 0.00 S ATOM 0 H CYS A 7 2.235 8.618 -8.416 1.00 0.00 H new ATOM 0 HA CYS A 7 3.652 7.985 -10.921 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.144 8.081 -10.871 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.238 9.760 -10.379 1.00 0.00 H new ATOM 97 N THR A 8 3.622 11.022 -9.581 1.00 0.00 N ATOM 98 CA THR A 8 4.368 12.291 -9.485 1.00 0.00 C ATOM 99 C THR A 8 5.430 12.245 -8.394 1.00 0.00 C ATOM 100 O THR A 8 6.508 12.809 -8.574 1.00 0.00 O ATOM 101 CB THR A 8 3.429 13.487 -9.291 1.00 0.00 C ATOM 102 OG1 THR A 8 2.566 13.254 -8.201 1.00 0.00 O ATOM 103 CG2 THR A 8 2.570 13.719 -10.537 1.00 0.00 C ATOM 0 H THR A 8 2.783 11.005 -9.002 1.00 0.00 H new ATOM 0 HA THR A 8 4.883 12.426 -10.436 1.00 0.00 H new ATOM 0 HB THR A 8 4.049 14.365 -9.106 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.971 14.024 -8.084 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.913 14.573 -10.372 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.216 13.918 -11.392 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.969 12.832 -10.735 1.00 0.00 H new ATOM 111 N SER A 9 5.178 11.519 -7.307 1.00 0.00 N ATOM 112 CA SER A 9 6.226 11.007 -6.411 1.00 0.00 C ATOM 113 C SER A 9 6.631 9.562 -6.801 1.00 0.00 C ATOM 114 O SER A 9 6.373 9.116 -7.925 1.00 0.00 O ATOM 115 CB SER A 9 5.766 11.158 -4.952 1.00 0.00 C ATOM 116 OG SER A 9 6.858 11.014 -4.053 1.00 0.00 O ATOM 0 H SER A 9 4.234 11.264 -7.016 1.00 0.00 H new ATOM 0 HA SER A 9 7.137 11.596 -6.518 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.303 12.135 -4.813 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.006 10.410 -4.728 1.00 0.00 H new ATOM 0 HG SER A 9 6.539 11.116 -3.132 1.00 0.00 H new ATOM 122 N ILE A 10 7.294 8.830 -5.901 1.00 0.00 N ATOM 123 CA ILE A 10 7.670 7.409 -6.047 1.00 0.00 C ATOM 124 C ILE A 10 7.003 6.545 -4.958 1.00 0.00 C ATOM 125 O ILE A 10 6.833 7.002 -3.822 1.00 0.00 O ATOM 126 CB ILE A 10 9.216 7.280 -6.053 1.00 0.00 C ATOM 127 CG1 ILE A 10 9.645 5.939 -6.684 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.842 7.492 -4.660 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.159 5.762 -6.848 1.00 0.00 C ATOM 0 H ILE A 10 7.599 9.223 -5.010 1.00 0.00 H new ATOM 0 HA ILE A 10 7.302 7.030 -7.000 1.00 0.00 H new ATOM 0 HB ILE A 10 9.605 8.087 -6.673 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.263 5.125 -6.068 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.174 5.847 -7.663 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.925 7.389 -4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.594 8.490 -4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.450 6.747 -3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.365 4.791 -7.299 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.550 6.551 -7.490 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.640 5.818 -5.871 1.00 0.00 H new ATOM 141 N CYS A 11 6.649 5.292 -5.271 1.00 0.00 N ATOM 142 CA CYS A 11 6.051 4.357 -4.303 1.00 0.00 C ATOM 143 C CYS A 11 6.709 2.970 -4.319 1.00 0.00 C ATOM 144 O CYS A 11 7.347 2.570 -5.294 1.00 0.00 O ATOM 145 CB CYS A 11 4.538 4.259 -4.530 1.00 0.00 C ATOM 146 SG CYS A 11 4.027 3.309 -5.982 1.00 0.00 S ATOM 0 H CYS A 11 6.768 4.895 -6.203 1.00 0.00 H new ATOM 0 HA CYS A 11 6.237 4.762 -3.308 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.084 3.811 -3.646 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.135 5.268 -4.618 1.00 0.00 H new ATOM 151 N SER A 12 6.541 2.227 -3.230 1.00 0.00 N ATOM 152 CA SER A 12 7.089 0.876 -3.029 1.00 0.00 C ATOM 153 C SER A 12 6.043 -0.219 -3.289 1.00 0.00 C ATOM 154 O SER A 12 4.850 -0.009 -3.065 1.00 0.00 O ATOM 155 CB SER A 12 7.630 0.726 -1.596 1.00 0.00 C ATOM 156 OG SER A 12 8.663 1.662 -1.327 1.00 0.00 O ATOM 0 H SER A 12 6.001 2.555 -2.429 1.00 0.00 H new ATOM 0 HA SER A 12 7.897 0.752 -3.749 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.817 0.865 -0.883 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.009 -0.286 -1.454 1.00 0.00 H new ATOM 0 HG SER A 12 8.983 1.541 -0.409 1.00 0.00 H new ATOM 162 N LEU A 13 6.469 -1.434 -3.664 1.00 0.00 N ATOM 163 CA LEU A 13 5.567 -2.589 -3.803 1.00 0.00 C ATOM 164 C LEU A 13 4.846 -2.921 -2.484 1.00 0.00 C ATOM 165 O LEU A 13 3.678 -3.298 -2.485 1.00 0.00 O ATOM 166 CB LEU A 13 6.363 -3.806 -4.301 1.00 0.00 C ATOM 167 CG LEU A 13 7.118 -3.634 -5.640 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.687 -4.992 -6.070 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.266 -3.049 -6.779 1.00 0.00 C ATOM 0 H LEU A 13 7.444 -1.644 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 13 4.798 -2.330 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.087 -4.078 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.675 -4.646 -4.402 1.00 0.00 H new ATOM 0 HG LEU A 13 7.910 -2.907 -5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.221 -4.880 -7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.373 -5.358 -5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.872 -5.704 -6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.873 -2.962 -7.680 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.419 -3.706 -6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.901 -2.063 -6.491 1.00 0.00 H new ATOM 181 N TYR A 14 5.512 -2.697 -1.352 1.00 0.00 N ATOM 182 CA TYR A 14 4.901 -2.795 -0.022 1.00 0.00 C ATOM 183 C TYR A 14 3.756 -1.781 0.203 1.00 0.00 C ATOM 184 O TYR A 14 2.799 -2.079 0.916 1.00 0.00 O ATOM 185 CB TYR A 14 6.002 -2.614 1.032 1.00 0.00 C ATOM 186 CG TYR A 14 5.515 -2.723 2.466 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.145 -3.980 2.985 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.404 -1.566 3.266 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.664 -4.087 4.302 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.927 -1.671 4.588 1.00 0.00 C ATOM 191 CZ TYR A 14 4.555 -2.931 5.110 1.00 0.00 C ATOM 192 OH TYR A 14 4.095 -3.026 6.393 1.00 0.00 O ATOM 0 H TYR A 14 6.499 -2.440 -1.329 1.00 0.00 H new ATOM 0 HA TYR A 14 4.441 -3.779 0.065 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.776 -3.363 0.865 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.467 -1.638 0.891 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.231 -4.863 2.370 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.684 -0.602 2.866 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.378 -5.051 4.696 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.846 -0.787 5.203 1.00 0.00 H new ATOM 0 HH TYR A 14 4.086 -2.136 6.804 1.00 0.00 H new ATOM 202 N GLN A 15 3.822 -0.606 -0.432 1.00 0.00 N ATOM 203 CA GLN A 15 2.755 0.405 -0.396 1.00 0.00 C ATOM 204 C GLN A 15 1.628 0.062 -1.375 1.00 0.00 C ATOM 205 O GLN A 15 0.464 0.291 -1.044 1.00 0.00 O ATOM 206 CB GLN A 15 3.311 1.805 -0.698 1.00 0.00 C ATOM 207 CG GLN A 15 4.290 2.312 0.375 1.00 0.00 C ATOM 208 CD GLN A 15 4.927 3.644 -0.025 1.00 0.00 C ATOM 209 OE1 GLN A 15 5.381 3.825 -1.147 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.982 4.626 0.854 1.00 0.00 N ATOM 0 H GLN A 15 4.627 -0.325 -0.993 1.00 0.00 H new ATOM 0 HA GLN A 15 2.342 0.405 0.613 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.817 1.788 -1.663 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.482 2.507 -0.785 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.763 2.430 1.322 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.071 1.569 0.536 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.608 4.491 1.793 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.398 5.520 0.594 1.00 0.00 H new ATOM 219 N LEU A 16 1.937 -0.549 -2.530 1.00 0.00 N ATOM 220 CA LEU A 16 0.912 -1.169 -3.380 1.00 0.00 C ATOM 221 C LEU A 16 0.124 -2.225 -2.586 1.00 0.00 C ATOM 222 O LEU A 16 -1.105 -2.193 -2.564 1.00 0.00 O ATOM 223 CB LEU A 16 1.535 -1.786 -4.654 1.00 0.00 C ATOM 224 CG LEU A 16 2.339 -0.842 -5.569 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.754 -1.591 -6.841 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.554 0.410 -5.972 1.00 0.00 C ATOM 0 H LEU A 16 2.886 -0.626 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 16 0.220 -0.389 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.191 -2.602 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.732 -2.227 -5.244 1.00 0.00 H new ATOM 0 HG LEU A 16 3.210 -0.518 -5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.323 -0.923 -7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.371 -2.449 -6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.864 -1.935 -7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.172 1.036 -6.616 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.652 0.117 -6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.278 0.970 -5.078 1.00 0.00 H new ATOM 238 N GLU A 17 0.823 -3.118 -1.880 1.00 0.00 N ATOM 239 CA GLU A 17 0.198 -4.168 -1.067 1.00 0.00 C ATOM 240 C GLU A 17 -0.589 -3.606 0.136 1.00 0.00 C ATOM 241 O GLU A 17 -1.620 -4.166 0.511 1.00 0.00 O ATOM 242 CB GLU A 17 1.268 -5.177 -0.619 1.00 0.00 C ATOM 243 CG GLU A 17 0.622 -6.454 -0.060 1.00 0.00 C ATOM 244 CD GLU A 17 1.634 -7.572 0.212 1.00 0.00 C ATOM 245 OE1 GLU A 17 2.735 -7.307 0.747 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.298 -8.744 -0.084 1.00 0.00 O ATOM 0 H GLU A 17 1.843 -3.134 -1.855 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.538 -4.677 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.910 -5.430 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.904 -4.724 0.142 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.098 -6.214 0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.127 -6.814 -0.766 1.00 0.00 H new ATOM 253 N ASN A 18 -0.168 -2.477 0.718 1.00 0.00 N ATOM 254 CA ASN A 18 -0.887 -1.811 1.812 1.00 0.00 C ATOM 255 C ASN A 18 -2.298 -1.315 1.404 1.00 0.00 C ATOM 256 O ASN A 18 -3.198 -1.245 2.244 1.00 0.00 O ATOM 257 CB ASN A 18 -0.023 -0.662 2.347 1.00 0.00 C ATOM 258 CG ASN A 18 -0.628 0.005 3.577 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.656 -0.561 4.665 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.136 1.219 3.442 1.00 0.00 N ATOM 0 H ASN A 18 0.688 -1.996 0.441 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.057 -2.546 2.599 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.968 -1.043 2.595 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.110 0.083 1.563 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.554 1.689 4.245 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.110 1.685 2.535 1.00 0.00 H new ATOM 267 N TYR A 19 -2.515 -1.012 0.120 1.00 0.00 N ATOM 268 CA TYR A 19 -3.831 -0.685 -0.453 1.00 0.00 C ATOM 269 C TYR A 19 -4.701 -1.924 -0.772 1.00 0.00 C ATOM 270 O TYR A 19 -5.856 -1.771 -1.169 1.00 0.00 O ATOM 271 CB TYR A 19 -3.629 0.218 -1.685 1.00 0.00 C ATOM 272 CG TYR A 19 -3.600 1.702 -1.353 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.490 2.273 -0.693 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.695 2.520 -1.702 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.478 3.648 -0.379 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.692 3.890 -1.391 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.586 4.460 -0.726 1.00 0.00 C ATOM 278 OH TYR A 19 -3.579 5.797 -0.450 1.00 0.00 O ATOM 0 H TYR A 19 -1.764 -0.986 -0.569 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.400 -0.148 0.305 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.695 -0.054 -2.176 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.431 0.029 -2.399 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.646 1.654 -0.427 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.543 2.089 -2.213 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.626 4.081 0.125 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.536 4.507 -1.661 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.658 6.131 -0.472 1.00 0.00 H new ATOM 288 N CYS A 20 -4.190 -3.146 -0.597 1.00 0.00 N ATOM 289 CA CYS A 20 -4.918 -4.404 -0.827 1.00 0.00 C ATOM 290 C CYS A 20 -5.397 -5.088 0.466 1.00 0.00 C ATOM 291 O CYS A 20 -5.063 -4.678 1.580 1.00 0.00 O ATOM 292 CB CYS A 20 -4.020 -5.348 -1.634 1.00 0.00 C ATOM 293 SG CYS A 20 -3.588 -4.708 -3.266 1.00 0.00 S ATOM 0 H CYS A 20 -3.231 -3.295 -0.282 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.825 -4.162 -1.381 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.105 -5.536 -1.072 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.525 -6.307 -1.750 1.00 0.00 H new ATOM 298 N ASN A 21 -6.191 -6.153 0.296 1.00 0.00 N ATOM 299 CA ASN A 21 -6.618 -7.071 1.364 1.00 0.00 C ATOM 300 C ASN A 21 -5.430 -7.705 2.126 1.00 0.00 C ATOM 301 O ASN A 21 -5.499 -7.769 3.374 1.00 0.00 O ATOM 302 CB ASN A 21 -7.538 -8.145 0.742 1.00 0.00 C ATOM 303 CG ASN A 21 -8.020 -9.187 1.743 1.00 0.00 C ATOM 304 OD1 ASN A 21 -7.613 -10.342 1.714 1.00 0.00 O ATOM 305 ND2 ASN A 21 -8.900 -8.818 2.647 1.00 0.00 N ATOM 306 OXT ASN A 21 -4.455 -8.153 1.478 1.00 0.00 O ATOM 0 H ASN A 21 -6.567 -6.409 -0.617 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.165 -6.502 2.116 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.403 -7.656 0.294 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.003 -8.647 -0.064 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.246 -9.494 3.328 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.237 -7.855 2.668 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.511 -0.424 -1.361 1.00 0.00 N ATOM 315 CA PHE B 1 13.372 -1.205 -2.616 1.00 0.00 C ATOM 316 C PHE B 1 12.481 -2.438 -2.415 1.00 0.00 C ATOM 317 O PHE B 1 12.452 -3.012 -1.330 1.00 0.00 O ATOM 318 CB PHE B 1 14.743 -1.583 -3.207 1.00 0.00 C ATOM 319 CG PHE B 1 15.517 -0.392 -3.739 1.00 0.00 C ATOM 320 CD1 PHE B 1 15.202 0.137 -5.009 1.00 0.00 C ATOM 321 CD2 PHE B 1 16.541 0.203 -2.972 1.00 0.00 C ATOM 322 CE1 PHE B 1 15.899 1.255 -5.504 1.00 0.00 C ATOM 323 CE2 PHE B 1 17.236 1.322 -3.469 1.00 0.00 C ATOM 324 CZ PHE B 1 16.915 1.849 -4.733 1.00 0.00 C ATOM 0 H1 PHE B 1 13.277 0.573 -1.544 1.00 0.00 H new ATOM 0 H2 PHE B 1 12.864 -0.805 -0.642 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.490 -0.492 -1.017 1.00 0.00 H new ATOM 0 HA PHE B 1 12.877 -0.563 -3.344 1.00 0.00 H new ATOM 0 HB2 PHE B 1 15.337 -2.080 -2.440 1.00 0.00 H new ATOM 0 HB3 PHE B 1 14.597 -2.302 -4.013 1.00 0.00 H new ATOM 0 HD1 PHE B 1 14.423 -0.318 -5.603 1.00 0.00 H new ATOM 0 HD2 PHE B 1 16.792 -0.201 -2.002 1.00 0.00 H new ATOM 0 HE1 PHE B 1 15.654 1.657 -6.476 1.00 0.00 H new ATOM 0 HE2 PHE B 1 18.017 1.777 -2.878 1.00 0.00 H new ATOM 0 HZ PHE B 1 17.448 2.709 -5.111 1.00 0.00 H new ATOM 336 N VAL B 2 11.723 -2.883 -3.419 1.00 0.00 N ATOM 337 CA VAL B 2 11.591 -2.308 -4.775 1.00 0.00 C ATOM 338 C VAL B 2 10.614 -1.125 -4.744 1.00 0.00 C ATOM 339 O VAL B 2 9.550 -1.198 -4.128 1.00 0.00 O ATOM 340 CB VAL B 2 11.142 -3.381 -5.797 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.837 -2.799 -7.191 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.230 -4.462 -5.945 1.00 0.00 C ATOM 0 H VAL B 2 11.141 -3.713 -3.306 1.00 0.00 H new ATOM 0 HA VAL B 2 12.567 -1.946 -5.098 1.00 0.00 H new ATOM 0 HB VAL B 2 10.219 -3.808 -5.403 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.528 -3.602 -7.861 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.036 -2.064 -7.111 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.731 -2.319 -7.589 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.903 -5.211 -6.666 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.155 -4.002 -6.293 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.403 -4.939 -4.980 1.00 0.00 H new ATOM 352 N ASN B 3 10.991 -0.046 -5.426 1.00 0.00 N ATOM 353 CA ASN B 3 10.223 1.198 -5.535 1.00 0.00 C ATOM 354 C ASN B 3 10.368 1.819 -6.930 1.00 0.00 C ATOM 355 O ASN B 3 11.441 1.781 -7.532 1.00 0.00 O ATOM 356 CB ASN B 3 10.619 2.180 -4.415 1.00 0.00 C ATOM 357 CG ASN B 3 12.125 2.309 -4.181 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.650 1.821 -3.188 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.872 2.927 -5.080 1.00 0.00 N ATOM 0 H ASN B 3 11.872 -0.010 -5.938 1.00 0.00 H new ATOM 0 HA ASN B 3 9.166 0.964 -5.404 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.217 3.164 -4.654 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.147 1.860 -3.486 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.881 2.996 -4.945 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.440 3.335 -5.909 1.00 0.00 H new ATOM 366 N GLN B 4 9.263 2.332 -7.466 1.00 0.00 N ATOM 367 CA GLN B 4 9.092 2.613 -8.892 1.00 0.00 C ATOM 368 C GLN B 4 8.156 3.809 -9.100 1.00 0.00 C ATOM 369 O GLN B 4 7.293 4.091 -8.267 1.00 0.00 O ATOM 370 CB GLN B 4 8.494 1.367 -9.591 1.00 0.00 C ATOM 371 CG GLN B 4 9.378 0.098 -9.581 1.00 0.00 C ATOM 372 CD GLN B 4 10.686 0.227 -10.370 1.00 0.00 C ATOM 373 OE1 GLN B 4 10.962 1.214 -11.042 1.00 0.00 O ATOM 374 NE2 GLN B 4 11.544 -0.774 -10.330 1.00 0.00 N ATOM 0 H GLN B 4 8.442 2.570 -6.909 1.00 0.00 H new ATOM 0 HA GLN B 4 10.065 2.852 -9.321 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.543 1.128 -9.114 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.275 1.626 -10.627 1.00 0.00 H new ATOM 0 HG2 GLN B 4 9.615 -0.156 -8.548 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.803 -0.733 -9.989 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.333 -1.605 -9.777 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.418 -0.718 -10.852 1.00 0.00 H new ATOM 383 N HIS B 5 8.293 4.496 -10.236 1.00 0.00 N ATOM 384 CA HIS B 5 7.277 5.434 -10.717 1.00 0.00 C ATOM 385 C HIS B 5 6.242 4.674 -11.566 1.00 0.00 C ATOM 386 O HIS B 5 6.594 4.010 -12.545 1.00 0.00 O ATOM 387 CB HIS B 5 7.922 6.576 -11.511 1.00 0.00 C ATOM 388 CG HIS B 5 8.814 7.466 -10.682 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.410 8.413 -9.766 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.181 7.512 -10.727 1.00 0.00 C ATOM 391 CE1 HIS B 5 9.505 9.021 -9.284 1.00 0.00 C ATOM 392 NE2 HIS B 5 10.619 8.504 -9.834 1.00 0.00 N ATOM 0 H HIS B 5 9.107 4.418 -10.846 1.00 0.00 H new ATOM 0 HA HIS B 5 6.768 5.882 -9.864 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.505 6.153 -12.329 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.136 7.183 -11.961 1.00 0.00 H new ATOM 0 HD1 HIS B 5 7.446 8.616 -9.501 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.815 6.892 -11.344 1.00 0.00 H new ATOM 0 HE1 HIS B 5 9.494 9.817 -8.554 1.00 0.00 H new ATOM 400 N LEU B 6 4.966 4.758 -11.178 1.00 0.00 N ATOM 401 CA LEU B 6 3.849 3.993 -11.733 1.00 0.00 C ATOM 402 C LEU B 6 2.618 4.902 -11.834 1.00 0.00 C ATOM 403 O LEU B 6 2.252 5.572 -10.868 1.00 0.00 O ATOM 404 CB LEU B 6 3.562 2.784 -10.817 1.00 0.00 C ATOM 405 CG LEU B 6 4.679 1.722 -10.684 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.335 0.768 -9.533 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.850 0.926 -11.989 1.00 0.00 C ATOM 0 H LEU B 6 4.672 5.391 -10.434 1.00 0.00 H new ATOM 0 HA LEU B 6 4.097 3.628 -12.730 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.333 3.161 -9.820 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.664 2.287 -11.184 1.00 0.00 H new ATOM 0 HG LEU B 6 5.620 2.232 -10.477 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.120 0.018 -9.436 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.255 1.333 -8.604 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.385 0.275 -9.741 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.642 0.188 -11.864 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.916 0.419 -12.231 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.113 1.607 -12.799 1.00 0.00 H new ATOM 419 N CYS B 7 1.960 4.920 -12.995 1.00 0.00 N ATOM 420 CA CYS B 7 0.824 5.796 -13.306 1.00 0.00 C ATOM 421 C CYS B 7 -0.311 5.011 -13.979 1.00 0.00 C ATOM 422 O CYS B 7 -0.054 4.119 -14.789 1.00 0.00 O ATOM 423 CB CYS B 7 1.299 6.901 -14.260 1.00 0.00 C ATOM 424 SG CYS B 7 2.674 7.946 -13.684 1.00 0.00 S ATOM 0 H CYS B 7 2.210 4.306 -13.771 1.00 0.00 H new ATOM 0 HA CYS B 7 0.447 6.222 -12.376 1.00 0.00 H new ATOM 0 HB2 CYS B 7 1.597 6.434 -15.199 1.00 0.00 H new ATOM 0 HB3 CYS B 7 0.450 7.548 -14.481 1.00 0.00 H new ATOM 429 N GLY B 8 -1.562 5.355 -13.663 1.00 0.00 N ATOM 430 CA GLY B 8 -2.762 4.930 -14.403 1.00 0.00 C ATOM 431 C GLY B 8 -2.911 3.414 -14.550 1.00 0.00 C ATOM 432 O GLY B 8 -2.882 2.666 -13.572 1.00 0.00 O ATOM 0 H GLY B 8 -1.778 5.952 -12.865 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.644 5.322 -13.896 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.739 5.378 -15.396 1.00 0.00 H new ATOM 436 N SER B 9 -3.060 2.947 -15.787 1.00 0.00 N ATOM 437 CA SER B 9 -3.203 1.525 -16.125 1.00 0.00 C ATOM 438 C SER B 9 -1.962 0.697 -15.740 1.00 0.00 C ATOM 439 O SER B 9 -2.095 -0.430 -15.271 1.00 0.00 O ATOM 440 CB SER B 9 -3.494 1.388 -17.627 1.00 0.00 C ATOM 441 OG SER B 9 -2.551 2.110 -18.414 1.00 0.00 O ATOM 0 H SER B 9 -3.086 3.557 -16.604 1.00 0.00 H new ATOM 0 HA SER B 9 -4.035 1.127 -15.544 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.472 0.335 -17.907 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.499 1.753 -17.838 1.00 0.00 H new ATOM 0 HG SER B 9 -2.765 2.000 -19.364 1.00 0.00 H new ATOM 447 N HIS B 10 -0.759 1.269 -15.840 1.00 0.00 N ATOM 448 CA HIS B 10 0.486 0.615 -15.425 1.00 0.00 C ATOM 449 C HIS B 10 0.547 0.440 -13.895 1.00 0.00 C ATOM 450 O HIS B 10 0.959 -0.617 -13.405 1.00 0.00 O ATOM 451 CB HIS B 10 1.682 1.432 -15.936 1.00 0.00 C ATOM 452 CG HIS B 10 1.630 1.757 -17.410 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.716 3.014 -17.966 1.00 0.00 N ATOM 454 CD2 HIS B 10 1.463 0.875 -18.444 1.00 0.00 C ATOM 455 CE1 HIS B 10 1.609 2.890 -19.300 1.00 0.00 C ATOM 456 NE2 HIS B 10 1.458 1.599 -19.644 1.00 0.00 N ATOM 0 H HIS B 10 -0.620 2.208 -16.215 1.00 0.00 H new ATOM 0 HA HIS B 10 0.522 -0.384 -15.861 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.738 2.363 -15.373 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.599 0.879 -15.730 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.354 -0.195 -18.351 1.00 0.00 H new ATOM 0 HE1 HIS B 10 1.640 3.713 -19.999 1.00 0.00 H new ATOM 0 HE2 HIS B 10 1.360 1.223 -20.587 1.00 0.00 H new ATOM 464 N LEU B 11 0.067 1.438 -13.139 1.00 0.00 N ATOM 465 CA LEU B 11 -0.119 1.336 -11.690 1.00 0.00 C ATOM 466 C LEU B 11 -1.163 0.272 -11.340 1.00 0.00 C ATOM 467 O LEU B 11 -0.873 -0.594 -10.521 1.00 0.00 O ATOM 468 CB LEU B 11 -0.481 2.719 -11.121 1.00 0.00 C ATOM 469 CG LEU B 11 -0.846 2.739 -9.624 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.284 2.210 -8.737 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.186 4.179 -9.230 1.00 0.00 C ATOM 0 H LEU B 11 -0.204 2.344 -13.522 1.00 0.00 H new ATOM 0 HA LEU B 11 0.814 1.013 -11.228 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.361 3.392 -11.282 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.321 3.119 -11.689 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.700 2.079 -9.471 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.026 2.246 -7.693 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.511 1.180 -9.013 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.173 2.826 -8.873 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.448 4.215 -8.172 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.323 4.819 -9.412 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.030 4.529 -9.824 1.00 0.00 H new ATOM 483 N VAL B 12 -2.337 0.301 -11.978 1.00 0.00 N ATOM 484 CA VAL B 12 -3.401 -0.699 -11.755 1.00 0.00 C ATOM 485 C VAL B 12 -2.916 -2.124 -12.052 1.00 0.00 C ATOM 486 O VAL B 12 -3.224 -3.040 -11.296 1.00 0.00 O ATOM 487 CB VAL B 12 -4.677 -0.357 -12.566 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.711 -1.499 -12.604 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.364 0.885 -11.977 1.00 0.00 C ATOM 0 H VAL B 12 -2.582 1.015 -12.664 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.661 -0.661 -10.697 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.336 -0.179 -13.586 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.576 -1.187 -13.189 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.263 -2.381 -13.062 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.027 -1.738 -11.588 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.259 1.115 -12.556 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.642 0.690 -10.941 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.679 1.732 -12.016 1.00 0.00 H new ATOM 499 N GLU B 13 -2.123 -2.311 -13.110 1.00 0.00 N ATOM 500 CA GLU B 13 -1.512 -3.594 -13.451 1.00 0.00 C ATOM 501 C GLU B 13 -0.510 -4.052 -12.380 1.00 0.00 C ATOM 502 O GLU B 13 -0.603 -5.179 -11.897 1.00 0.00 O ATOM 503 CB GLU B 13 -0.838 -3.485 -14.827 1.00 0.00 C ATOM 504 CG GLU B 13 -0.325 -4.838 -15.337 1.00 0.00 C ATOM 505 CD GLU B 13 0.191 -4.720 -16.780 1.00 0.00 C ATOM 506 OE1 GLU B 13 1.348 -4.286 -16.985 1.00 0.00 O ATOM 507 OE2 GLU B 13 -0.563 -5.067 -17.719 1.00 0.00 O ATOM 0 H GLU B 13 -1.885 -1.563 -13.762 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.295 -4.351 -13.491 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -1.548 -3.075 -15.545 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -0.006 -2.784 -14.766 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.475 -5.196 -14.689 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -1.126 -5.576 -15.292 1.00 0.00 H new ATOM 514 N ALA B 14 0.420 -3.186 -11.966 1.00 0.00 N ATOM 515 CA ALA B 14 1.419 -3.505 -10.941 1.00 0.00 C ATOM 516 C ALA B 14 0.766 -3.857 -9.591 1.00 0.00 C ATOM 517 O ALA B 14 1.089 -4.878 -8.983 1.00 0.00 O ATOM 518 CB ALA B 14 2.377 -2.315 -10.817 1.00 0.00 C ATOM 0 H ALA B 14 0.501 -2.238 -12.335 1.00 0.00 H new ATOM 0 HA ALA B 14 1.976 -4.393 -11.241 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.130 -2.531 -10.059 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.867 -2.141 -11.775 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.817 -1.425 -10.529 1.00 0.00 H new ATOM 524 N LEU B 15 -0.196 -3.040 -9.160 1.00 0.00 N ATOM 525 CA LEU B 15 -1.017 -3.222 -7.962 1.00 0.00 C ATOM 526 C LEU B 15 -1.743 -4.576 -7.980 1.00 0.00 C ATOM 527 O LEU B 15 -1.598 -5.365 -7.048 1.00 0.00 O ATOM 528 CB LEU B 15 -1.965 -2.005 -7.926 1.00 0.00 C ATOM 529 CG LEU B 15 -2.963 -1.912 -6.764 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.270 -1.923 -5.400 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.759 -0.604 -6.922 1.00 0.00 C ATOM 0 H LEU B 15 -0.436 -2.187 -9.665 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.422 -3.258 -7.049 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.353 -1.103 -7.915 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.532 -1.994 -8.857 1.00 0.00 H new ATOM 0 HG LEU B 15 -3.616 -2.784 -6.799 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.019 -1.855 -4.611 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.706 -2.848 -5.286 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.591 -1.073 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -4.477 -0.514 -6.107 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.074 0.244 -6.898 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -4.290 -0.614 -7.874 1.00 0.00 H new ATOM 543 N TYR B 16 -2.437 -4.903 -9.074 1.00 0.00 N ATOM 544 CA TYR B 16 -3.086 -6.203 -9.260 1.00 0.00 C ATOM 545 C TYR B 16 -2.092 -7.379 -9.247 1.00 0.00 C ATOM 546 O TYR B 16 -2.366 -8.404 -8.624 1.00 0.00 O ATOM 547 CB TYR B 16 -3.897 -6.185 -10.567 1.00 0.00 C ATOM 548 CG TYR B 16 -4.560 -7.509 -10.901 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.717 -7.915 -10.208 1.00 0.00 C ATOM 550 CD2 TYR B 16 -4.003 -8.343 -11.889 1.00 0.00 C ATOM 551 CE1 TYR B 16 -6.319 -9.156 -10.497 1.00 0.00 C ATOM 552 CE2 TYR B 16 -4.596 -9.586 -12.179 1.00 0.00 C ATOM 553 CZ TYR B 16 -5.759 -9.998 -11.486 1.00 0.00 C ATOM 554 OH TYR B 16 -6.339 -11.200 -11.763 1.00 0.00 O ATOM 0 H TYR B 16 -2.565 -4.267 -9.861 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.752 -6.364 -8.412 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.664 -5.414 -10.496 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.237 -5.903 -11.388 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.144 -7.273 -9.452 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -3.120 -8.029 -12.425 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -7.207 -9.464 -9.964 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -4.162 -10.227 -12.932 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.831 -11.654 -12.467 1.00 0.00 H new ATOM 564 N LEU B 17 -0.914 -7.227 -9.864 1.00 0.00 N ATOM 565 CA LEU B 17 0.118 -8.274 -9.926 1.00 0.00 C ATOM 566 C LEU B 17 0.835 -8.499 -8.588 1.00 0.00 C ATOM 567 O LEU B 17 1.130 -9.648 -8.250 1.00 0.00 O ATOM 568 CB LEU B 17 1.124 -7.961 -11.052 1.00 0.00 C ATOM 569 CG LEU B 17 0.579 -8.165 -12.486 1.00 0.00 C ATOM 570 CD1 LEU B 17 1.618 -7.648 -13.492 1.00 0.00 C ATOM 571 CD2 LEU B 17 0.267 -9.638 -12.796 1.00 0.00 C ATOM 0 H LEU B 17 -0.646 -6.366 -10.340 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.392 -9.211 -10.150 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.454 -6.927 -10.948 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.003 -8.591 -10.920 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.356 -7.610 -12.565 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.243 -7.787 -14.506 1.00 0.00 H new ATOM 0 HD12 LEU B 17 1.800 -6.588 -13.315 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.549 -8.201 -13.370 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -0.112 -9.723 -13.814 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.176 -10.231 -12.696 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.485 -10.006 -12.097 1.00 0.00 H new ATOM 583 N VAL B 18 1.068 -7.441 -7.809 1.00 0.00 N ATOM 584 CA VAL B 18 1.581 -7.545 -6.424 1.00 0.00 C ATOM 585 C VAL B 18 0.576 -8.285 -5.535 1.00 0.00 C ATOM 586 O VAL B 18 0.959 -9.175 -4.777 1.00 0.00 O ATOM 587 CB VAL B 18 1.920 -6.155 -5.826 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.094 -6.142 -4.294 1.00 0.00 C ATOM 589 CG2 VAL B 18 3.230 -5.638 -6.442 1.00 0.00 C ATOM 0 H VAL B 18 0.909 -6.481 -8.114 1.00 0.00 H new ATOM 0 HA VAL B 18 2.508 -8.117 -6.460 1.00 0.00 H new ATOM 0 HB VAL B 18 1.064 -5.523 -6.063 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.329 -5.130 -3.963 1.00 0.00 H new ATOM 0 HG12 VAL B 18 1.170 -6.473 -3.820 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.906 -6.813 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.469 -4.661 -6.022 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.037 -6.336 -6.219 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.114 -5.550 -7.522 1.00 0.00 H new ATOM 599 N CYS B 19 -0.709 -7.930 -5.629 1.00 0.00 N ATOM 600 CA CYS B 19 -1.743 -8.470 -4.734 1.00 0.00 C ATOM 601 C CYS B 19 -2.303 -9.837 -5.169 1.00 0.00 C ATOM 602 O CYS B 19 -2.838 -10.576 -4.337 1.00 0.00 O ATOM 603 CB CYS B 19 -2.815 -7.394 -4.521 1.00 0.00 C ATOM 604 SG CYS B 19 -2.055 -5.903 -3.818 1.00 0.00 S ATOM 0 H CYS B 19 -1.062 -7.267 -6.319 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.284 -8.701 -3.773 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.298 -7.155 -5.469 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -3.591 -7.768 -3.853 1.00 0.00 H new ATOM 609 N GLY B 20 -2.131 -10.217 -6.439 1.00 0.00 N ATOM 610 CA GLY B 20 -2.496 -11.536 -6.975 1.00 0.00 C ATOM 611 C GLY B 20 -4.006 -11.657 -7.192 1.00 0.00 C ATOM 612 O GLY B 20 -4.611 -10.822 -7.864 1.00 0.00 O ATOM 0 H GLY B 20 -1.724 -9.601 -7.143 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -1.978 -11.702 -7.919 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -2.163 -12.314 -6.288 1.00 0.00 H new ATOM 616 N GLU B 21 -4.618 -12.695 -6.618 1.00 0.00 N ATOM 617 CA GLU B 21 -6.074 -12.907 -6.651 1.00 0.00 C ATOM 618 C GLU B 21 -6.851 -11.925 -5.745 1.00 0.00 C ATOM 619 O GLU B 21 -8.078 -11.809 -5.863 1.00 0.00 O ATOM 620 CB GLU B 21 -6.398 -14.359 -6.260 1.00 0.00 C ATOM 621 CG GLU B 21 -5.851 -15.380 -7.265 1.00 0.00 C ATOM 622 CD GLU B 21 -6.273 -16.805 -6.885 1.00 0.00 C ATOM 623 OE1 GLU B 21 -5.554 -17.462 -6.094 1.00 0.00 O ATOM 624 OE2 GLU B 21 -7.323 -17.283 -7.374 1.00 0.00 O ATOM 0 H GLU B 21 -4.114 -13.422 -6.110 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.401 -12.712 -7.672 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -5.982 -14.567 -5.274 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -7.479 -14.477 -6.181 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -6.216 -15.143 -8.265 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.763 -15.316 -7.299 1.00 0.00 H new ATOM 631 N ARG B 22 -6.160 -11.207 -4.850 1.00 0.00 N ATOM 632 CA ARG B 22 -6.749 -10.213 -3.943 1.00 0.00 C ATOM 633 C ARG B 22 -7.203 -8.944 -4.677 1.00 0.00 C ATOM 634 O ARG B 22 -6.712 -8.602 -5.757 1.00 0.00 O ATOM 635 CB ARG B 22 -5.754 -9.844 -2.834 1.00 0.00 C ATOM 636 CG ARG B 22 -5.432 -11.025 -1.903 1.00 0.00 C ATOM 637 CD ARG B 22 -4.404 -10.617 -0.844 1.00 0.00 C ATOM 638 NE ARG B 22 -3.059 -10.462 -1.422 1.00 0.00 N ATOM 639 CZ ARG B 22 -2.023 -9.861 -0.854 1.00 0.00 C ATOM 640 NH1 ARG B 22 -2.127 -9.146 0.244 1.00 0.00 N ATOM 641 NH2 ARG B 22 -0.832 -9.973 -1.400 1.00 0.00 N ATOM 0 H ARG B 22 -5.151 -11.304 -4.734 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.635 -10.672 -3.504 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -4.831 -9.482 -3.287 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -6.163 -9.024 -2.244 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -6.344 -11.370 -1.417 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -5.047 -11.860 -2.488 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -4.711 -9.679 -0.381 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -4.377 -11.368 -0.055 1.00 0.00 H new ATOM 0 HE ARG B 22 -2.910 -10.856 -2.351 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -3.035 -9.035 0.696 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -1.300 -8.702 0.644 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.711 -10.519 -2.253 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -0.029 -9.514 -0.970 1.00 0.00 H new ATOM 655 N GLY B 23 -8.111 -8.210 -4.029 1.00 0.00 N ATOM 656 CA GLY B 23 -8.626 -6.907 -4.465 1.00 0.00 C ATOM 657 C GLY B 23 -7.821 -5.744 -3.887 1.00 0.00 C ATOM 658 O GLY B 23 -7.167 -5.880 -2.848 1.00 0.00 O ATOM 0 H GLY B 23 -8.525 -8.519 -3.150 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -8.604 -6.856 -5.554 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.669 -6.811 -4.162 1.00 0.00 H new ATOM 662 N PHE B 24 -7.900 -4.592 -4.559 1.00 0.00 N ATOM 663 CA PHE B 24 -7.194 -3.361 -4.209 1.00 0.00 C ATOM 664 C PHE B 24 -8.132 -2.148 -4.100 1.00 0.00 C ATOM 665 O PHE B 24 -9.160 -2.065 -4.781 1.00 0.00 O ATOM 666 CB PHE B 24 -6.093 -3.105 -5.251 1.00 0.00 C ATOM 667 CG PHE B 24 -6.571 -2.955 -6.685 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.995 -1.700 -7.169 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.581 -4.069 -7.544 1.00 0.00 C ATOM 670 CE1 PHE B 24 -7.448 -1.567 -8.493 1.00 0.00 C ATOM 671 CE2 PHE B 24 -7.040 -3.937 -8.867 1.00 0.00 C ATOM 672 CZ PHE B 24 -7.481 -2.689 -9.339 1.00 0.00 C ATOM 0 H PHE B 24 -8.479 -4.490 -5.392 1.00 0.00 H new ATOM 0 HA PHE B 24 -6.754 -3.493 -3.221 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.554 -2.200 -4.970 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.379 -3.927 -5.209 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.972 -0.837 -6.520 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.235 -5.028 -7.187 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.770 -0.604 -8.860 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -7.054 -4.796 -9.521 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.845 -2.592 -10.351 1.00 0.00 H new ATOM 682 N PHE B 25 -7.742 -1.182 -3.264 1.00 0.00 N ATOM 683 CA PHE B 25 -8.278 0.179 -3.199 1.00 0.00 C ATOM 684 C PHE B 25 -7.421 1.132 -4.056 1.00 0.00 C ATOM 685 O PHE B 25 -6.293 0.802 -4.428 1.00 0.00 O ATOM 686 CB PHE B 25 -8.321 0.591 -1.714 1.00 0.00 C ATOM 687 CG PHE B 25 -8.962 1.932 -1.396 1.00 0.00 C ATOM 688 CD1 PHE B 25 -10.265 2.222 -1.847 1.00 0.00 C ATOM 689 CD2 PHE B 25 -8.276 2.878 -0.612 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.864 3.456 -1.533 1.00 0.00 C ATOM 691 CE2 PHE B 25 -8.882 4.103 -0.283 1.00 0.00 C ATOM 692 CZ PHE B 25 -10.174 4.397 -0.752 1.00 0.00 C ATOM 0 H PHE B 25 -7.004 -1.338 -2.577 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.287 0.229 -3.609 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.856 -0.181 -1.162 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.299 0.604 -1.335 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.805 1.495 -2.435 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.278 2.662 -0.261 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.857 3.680 -1.894 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.355 4.819 0.330 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.635 5.344 -0.512 1.00 0.00 H new ATOM 702 N TYR B 26 -7.949 2.312 -4.394 1.00 0.00 N ATOM 703 CA TYR B 26 -7.359 3.215 -5.394 1.00 0.00 C ATOM 704 C TYR B 26 -7.827 4.673 -5.211 1.00 0.00 C ATOM 705 O TYR B 26 -9.035 4.936 -5.170 1.00 0.00 O ATOM 706 CB TYR B 26 -7.727 2.678 -6.790 1.00 0.00 C ATOM 707 CG TYR B 26 -6.943 3.262 -7.952 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.679 2.730 -8.272 1.00 0.00 C ATOM 709 CD2 TYR B 26 -7.505 4.268 -8.763 1.00 0.00 C ATOM 710 CE1 TYR B 26 -4.990 3.178 -9.416 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.821 4.720 -9.910 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.566 4.166 -10.248 1.00 0.00 C ATOM 713 OH TYR B 26 -4.919 4.582 -11.371 1.00 0.00 O ATOM 0 H TYR B 26 -8.807 2.674 -3.978 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.276 3.235 -5.270 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -7.589 1.597 -6.790 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.787 2.864 -6.962 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.236 1.976 -7.638 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -8.463 4.694 -8.505 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.021 2.767 -9.658 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.256 5.490 -10.530 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.457 5.264 -11.825 1.00 0.00 H new ATOM 723 N THR B 27 -6.881 5.623 -5.109 1.00 0.00 N ATOM 724 CA THR B 27 -7.122 7.044 -4.782 1.00 0.00 C ATOM 725 C THR B 27 -6.190 7.995 -5.553 1.00 0.00 C ATOM 726 O THR B 27 -4.976 7.755 -5.578 1.00 0.00 O ATOM 727 CB THR B 27 -6.955 7.307 -3.278 1.00 0.00 C ATOM 728 OG1 THR B 27 -5.702 6.832 -2.830 1.00 0.00 O ATOM 729 CG2 THR B 27 -8.040 6.625 -2.450 1.00 0.00 C ATOM 0 H THR B 27 -5.893 5.418 -5.257 1.00 0.00 H new ATOM 0 HA THR B 27 -8.150 7.246 -5.083 1.00 0.00 H new ATOM 0 HB THR B 27 -7.031 8.386 -3.143 1.00 0.00 H new ATOM 0 HG1 THR B 27 -5.610 7.008 -1.870 1.00 0.00 H new ATOM 0 HG21 THR B 27 -7.880 6.840 -1.393 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.018 7.000 -2.752 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.998 5.548 -2.612 1.00 0.00 H new ATOM 737 N PRO B 28 -6.717 9.087 -6.148 1.00 0.00 N ATOM 738 CA PRO B 28 -5.917 10.147 -6.750 1.00 0.00 C ATOM 739 C PRO B 28 -5.431 11.133 -5.675 1.00 0.00 C ATOM 740 O PRO B 28 -4.321 10.979 -5.166 1.00 0.00 O ATOM 741 CB PRO B 28 -6.812 10.761 -7.833 1.00 0.00 C ATOM 742 CG PRO B 28 -8.230 10.567 -7.295 1.00 0.00 C ATOM 743 CD PRO B 28 -8.132 9.302 -6.438 1.00 0.00 C ATOM 0 HA PRO B 28 -4.994 9.791 -7.209 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -6.585 11.816 -7.988 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.677 10.262 -8.792 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -8.554 11.425 -6.705 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -8.951 10.446 -8.104 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -8.701 9.417 -5.515 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -8.551 8.446 -6.966 1.00 0.00 H new ATOM 751 N LYS B 29 -6.250 12.131 -5.322 1.00 0.00 N ATOM 752 CA LYS B 29 -5.946 13.222 -4.386 1.00 0.00 C ATOM 753 C LYS B 29 -7.252 13.831 -3.818 1.00 0.00 C ATOM 754 O LYS B 29 -8.216 14.018 -4.563 1.00 0.00 O ATOM 755 CB LYS B 29 -5.106 14.278 -5.136 1.00 0.00 C ATOM 756 CG LYS B 29 -4.556 15.381 -4.223 1.00 0.00 C ATOM 757 CD LYS B 29 -3.756 16.413 -5.029 1.00 0.00 C ATOM 758 CE LYS B 29 -3.111 17.487 -4.142 1.00 0.00 C ATOM 759 NZ LYS B 29 -2.038 16.925 -3.282 1.00 0.00 N ATOM 0 H LYS B 29 -7.194 12.204 -5.702 1.00 0.00 H new ATOM 0 HA LYS B 29 -5.377 12.846 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -4.274 13.782 -5.635 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -5.719 14.733 -5.914 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -5.379 15.876 -3.707 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -3.919 14.940 -3.456 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -2.979 15.901 -5.596 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -4.415 16.893 -5.753 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -2.697 18.276 -4.770 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -3.875 17.947 -3.515 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -1.516 17.701 -2.826 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -2.461 16.317 -2.552 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -1.385 16.363 -3.865 1.00 0.00 H new ATOM 773 N THR B 30 -7.343 14.183 -2.530 1.00 0.00 N ATOM 774 CA THR B 30 -6.365 13.958 -1.441 1.00 0.00 C ATOM 775 C THR B 30 -6.337 12.502 -0.977 1.00 0.00 C ATOM 776 O THR B 30 -7.372 11.994 -0.491 1.00 0.00 O ATOM 777 CB THR B 30 -6.649 14.881 -0.247 1.00 0.00 C ATOM 778 OG1 THR B 30 -8.024 14.853 0.081 1.00 0.00 O ATOM 779 CG2 THR B 30 -6.272 16.329 -0.569 1.00 0.00 C ATOM 780 OXT THR B 30 -5.274 11.870 -1.145 1.00 0.00 O ATOM 0 H THR B 30 -8.169 14.674 -2.187 1.00 0.00 H new ATOM 0 HA THR B 30 -5.383 14.195 -1.851 1.00 0.00 H new ATOM 0 HB THR B 30 -6.050 14.521 0.590 1.00 0.00 H new ATOM 0 HG1 THR B 30 -8.355 13.932 0.026 1.00 0.00 H new ATOM 0 HG21 THR B 30 -6.484 16.961 0.294 1.00 0.00 H new ATOM 0 HG22 THR B 30 -5.210 16.384 -0.807 1.00 0.00 H new ATOM 0 HG23 THR B 30 -6.854 16.675 -1.423 1.00 0.00 H new TER 788 THR B 30