USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=14 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: A 12 SER OG : rot 48:sc= 0.757 USER MOD Set 1.2: A 15 GLN : amide:sc= -0.0692 X(o=0.69,f=0.2!) USER MOD Single : A 1 GLY N :NH3+ 170:sc= -0.0441 (180deg=-0.135) USER MOD Single : A 5 GLN : amide:sc= -2.3 X(o=-2.3,f=-2.5!) USER MOD Single : A 8 THR OG1 : rot 102:sc= 1.08 USER MOD Single : A 9 SER OG : rot 180:sc= -1 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.14) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.073 K(o=-0.073,f=-1.8) USER MOD Single : B 1 PHE N :NH3+ -143:sc= 0.701 (180deg=-0.278) USER MOD Single : B 3 ASN : amide:sc=-0.00167 X(o=-0.0017,f=0) USER MOD Single : B 4 GLN : amide:sc= -0.0378 X(o=-0.038,f=0) USER MOD Single : B 5 HIS :FLIP no HE2:sc= -31.3! C(o=-32!,f=-31!) USER MOD Single : B 8 DSN OG : rot 180:sc= 0 USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= -0.0745 USER MOD Single : B 26 TYR OH : rot 165:sc= -6.66! USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.521! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -50:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.433 6.110 1.720 1.00 0.00 N ATOM 2 CA GLY A 1 -9.210 6.033 2.566 1.00 0.00 C ATOM 3 C GLY A 1 -8.365 4.814 2.254 1.00 0.00 C ATOM 4 O GLY A 1 -7.646 4.312 3.118 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.059 6.858 2.081 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.164 6.328 0.739 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.932 5.198 1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.613 6.933 2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.499 6.011 3.617 1.00 0.00 H new ATOM 10 N ILE A 2 -8.450 4.338 1.016 1.00 0.00 N ATOM 11 CA ILE A 2 -7.683 3.169 0.591 1.00 0.00 C ATOM 12 C ILE A 2 -6.326 3.586 0.034 1.00 0.00 C ATOM 13 O ILE A 2 -5.296 3.412 0.686 1.00 0.00 O ATOM 14 CB ILE A 2 -8.434 2.330 -0.474 1.00 0.00 C ATOM 15 CG1 ILE A 2 -9.940 2.615 -0.444 1.00 0.00 C ATOM 16 CG2 ILE A 2 -8.175 0.848 -0.255 1.00 0.00 C ATOM 17 CD1 ILE A 2 -10.563 2.456 0.925 1.00 0.00 C ATOM 0 H ILE A 2 -9.041 4.742 0.289 1.00 0.00 H new ATOM 0 HA ILE A 2 -7.544 2.550 1.477 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.056 2.616 -1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -10.115 3.631 -0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -10.441 1.944 -1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -8.708 0.270 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.106 0.650 -0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -8.525 0.560 0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -11.629 2.674 0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -10.420 1.433 1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -10.089 3.146 1.623 1.00 0.00 H new ATOM 29 N VAL A 3 -6.335 4.143 -1.173 1.00 0.00 N ATOM 30 CA VAL A 3 -5.109 4.595 -1.820 1.00 0.00 C ATOM 31 C VAL A 3 -4.810 6.056 -1.481 1.00 0.00 C ATOM 32 O VAL A 3 -4.176 6.766 -2.260 1.00 0.00 O ATOM 33 CB VAL A 3 -5.194 4.438 -3.351 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.293 5.320 -3.925 1.00 0.00 C ATOM 35 CG2 VAL A 3 -3.855 4.758 -3.992 1.00 0.00 C ATOM 0 H VAL A 3 -7.180 4.292 -1.724 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.301 3.968 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.443 3.401 -3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.334 5.192 -5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.251 5.037 -3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.082 6.363 -3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.932 4.642 -5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.575 5.785 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.096 4.077 -3.608 1.00 0.00 H new ATOM 45 N GLU A 4 -5.269 6.502 -0.315 1.00 0.00 N ATOM 46 CA GLU A 4 -5.046 7.878 0.116 1.00 0.00 C ATOM 47 C GLU A 4 -3.627 8.070 0.654 1.00 0.00 C ATOM 48 O GLU A 4 -3.278 9.149 1.128 1.00 0.00 O ATOM 49 CB GLU A 4 -6.066 8.269 1.186 1.00 0.00 C ATOM 50 CG GLU A 4 -5.955 7.452 2.463 1.00 0.00 C ATOM 51 CD GLU A 4 -6.297 8.258 3.700 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.335 8.953 3.687 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.529 8.192 4.683 1.00 0.00 O ATOM 0 H GLU A 4 -5.796 5.932 0.347 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.170 8.524 -0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.939 9.324 1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.070 8.154 0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.621 6.591 2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.941 7.064 2.555 1.00 0.00 H new ATOM 60 N GLN A 5 -2.814 7.019 0.579 1.00 0.00 N ATOM 61 CA GLN A 5 -1.441 7.079 1.056 1.00 0.00 C ATOM 62 C GLN A 5 -0.496 7.520 -0.057 1.00 0.00 C ATOM 63 O GLN A 5 0.267 8.469 0.111 1.00 0.00 O ATOM 64 CB GLN A 5 -1.011 5.715 1.600 1.00 0.00 C ATOM 65 CG GLN A 5 -1.409 5.482 3.049 1.00 0.00 C ATOM 66 CD GLN A 5 -2.871 5.785 3.312 1.00 0.00 C ATOM 67 OE1 GLN A 5 -3.205 6.788 3.942 1.00 0.00 O ATOM 68 NE2 GLN A 5 -3.751 4.915 2.831 1.00 0.00 N ATOM 0 H GLN A 5 -3.086 6.116 0.191 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.392 7.815 1.859 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.450 4.932 0.981 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.071 5.623 1.510 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.204 4.445 3.315 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.791 6.105 3.696 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.429 4.097 2.314 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.749 5.065 2.978 1.00 0.00 H new ATOM 77 N CYS A 6 -0.548 6.821 -1.191 1.00 0.00 N ATOM 78 CA CYS A 6 0.312 7.139 -2.331 1.00 0.00 C ATOM 79 C CYS A 6 -0.345 8.142 -3.274 1.00 0.00 C ATOM 80 O CYS A 6 0.333 8.784 -4.072 1.00 0.00 O ATOM 81 CB CYS A 6 0.689 5.864 -3.089 1.00 0.00 C ATOM 82 SG CYS A 6 1.867 4.798 -2.188 1.00 0.00 S ATOM 0 H CYS A 6 -1.176 6.032 -1.345 1.00 0.00 H new ATOM 0 HA CYS A 6 1.218 7.600 -1.939 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.217 5.295 -3.298 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.122 6.138 -4.051 1.00 0.00 H new ATOM 87 N CYS A 7 -1.663 8.275 -3.187 1.00 0.00 N ATOM 88 CA CYS A 7 -2.393 9.207 -4.045 1.00 0.00 C ATOM 89 C CYS A 7 -2.408 10.621 -3.465 1.00 0.00 C ATOM 90 O CYS A 7 -3.076 11.508 -3.997 1.00 0.00 O ATOM 91 CB CYS A 7 -3.828 8.726 -4.228 1.00 0.00 C ATOM 92 SG CYS A 7 -4.635 9.324 -5.751 1.00 0.00 S ATOM 0 H CYS A 7 -2.248 7.753 -2.535 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.880 9.239 -5.006 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.835 7.636 -4.231 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.418 9.046 -3.369 1.00 0.00 H new ATOM 97 N THR A 8 -1.693 10.825 -2.365 1.00 0.00 N ATOM 98 CA THR A 8 -1.658 12.131 -1.716 1.00 0.00 C ATOM 99 C THR A 8 -0.298 12.836 -1.891 1.00 0.00 C ATOM 100 O THR A 8 -0.006 13.352 -2.971 1.00 0.00 O ATOM 101 CB THR A 8 -2.024 11.967 -0.240 1.00 0.00 C ATOM 102 OG1 THR A 8 -3.243 11.257 -0.109 1.00 0.00 O ATOM 103 CG2 THR A 8 -2.187 13.279 0.483 1.00 0.00 C ATOM 0 H THR A 8 -1.132 10.107 -1.905 1.00 0.00 H new ATOM 0 HA THR A 8 -2.392 12.777 -2.198 1.00 0.00 H new ATOM 0 HB THR A 8 -1.192 11.423 0.208 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.055 10.329 0.143 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.446 13.091 1.525 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.253 13.838 0.437 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.980 13.859 0.011 1.00 0.00 H new ATOM 111 N SER A 9 0.530 12.868 -0.838 1.00 0.00 N ATOM 112 CA SER A 9 1.840 13.523 -0.909 1.00 0.00 C ATOM 113 C SER A 9 2.971 12.512 -1.127 1.00 0.00 C ATOM 114 O SER A 9 3.406 12.292 -2.258 1.00 0.00 O ATOM 115 CB SER A 9 2.096 14.331 0.365 1.00 0.00 C ATOM 116 OG SER A 9 3.439 14.780 0.424 1.00 0.00 O ATOM 0 H SER A 9 0.316 12.450 0.068 1.00 0.00 H new ATOM 0 HA SER A 9 1.826 14.195 -1.767 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.422 15.187 0.398 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.876 13.718 1.239 1.00 0.00 H new ATOM 0 HG SER A 9 3.576 15.295 1.246 1.00 0.00 H new ATOM 122 N ILE A 10 3.444 11.901 -0.042 1.00 0.00 N ATOM 123 CA ILE A 10 4.524 10.912 -0.117 1.00 0.00 C ATOM 124 C ILE A 10 4.152 9.646 0.653 1.00 0.00 C ATOM 125 O ILE A 10 3.536 9.719 1.716 1.00 0.00 O ATOM 126 CB ILE A 10 5.848 11.472 0.440 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.107 12.877 -0.106 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.005 10.544 0.091 1.00 0.00 C ATOM 129 CD1 ILE A 10 6.333 12.913 -1.602 1.00 0.00 C ATOM 0 H ILE A 10 3.097 12.072 0.902 1.00 0.00 H new ATOM 0 HA ILE A 10 4.663 10.672 -1.171 1.00 0.00 H new ATOM 0 HB ILE A 10 5.768 11.533 1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.259 13.516 0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.979 13.298 0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.933 10.953 0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.826 9.560 0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.085 10.454 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.510 13.941 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.199 12.301 -1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.453 12.523 -2.112 1.00 0.00 H new ATOM 141 N CYS A 11 4.517 8.484 0.110 1.00 0.00 N ATOM 142 CA CYS A 11 4.200 7.213 0.761 1.00 0.00 C ATOM 143 C CYS A 11 5.416 6.296 0.812 1.00 0.00 C ATOM 144 O CYS A 11 6.458 6.593 0.227 1.00 0.00 O ATOM 145 CB CYS A 11 3.043 6.506 0.041 1.00 0.00 C ATOM 146 SG CYS A 11 3.392 6.048 -1.691 1.00 0.00 S ATOM 0 H CYS A 11 5.027 8.397 -0.769 1.00 0.00 H new ATOM 0 HA CYS A 11 3.897 7.438 1.784 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.784 5.605 0.596 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.168 7.156 0.062 1.00 0.00 H new ATOM 151 N SER A 12 5.274 5.181 1.523 1.00 0.00 N ATOM 152 CA SER A 12 6.360 4.218 1.662 1.00 0.00 C ATOM 153 C SER A 12 5.977 2.867 1.063 1.00 0.00 C ATOM 154 O SER A 12 4.925 2.311 1.365 1.00 0.00 O ATOM 155 CB SER A 12 6.733 4.052 3.137 1.00 0.00 C ATOM 156 OG SER A 12 5.795 4.696 3.981 1.00 0.00 O ATOM 0 H SER A 12 4.417 4.923 2.012 1.00 0.00 H new ATOM 0 HA SER A 12 7.223 4.600 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.781 2.992 3.385 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.726 4.465 3.312 1.00 0.00 H new ATOM 0 HG SER A 12 4.886 4.451 3.707 1.00 0.00 H new ATOM 162 N LEU A 13 6.840 2.342 0.210 1.00 0.00 N ATOM 163 CA LEU A 13 6.586 1.060 -0.428 1.00 0.00 C ATOM 164 C LEU A 13 6.512 -0.074 0.597 1.00 0.00 C ATOM 165 O LEU A 13 6.047 -1.169 0.282 1.00 0.00 O ATOM 166 CB LEU A 13 7.680 0.761 -1.457 1.00 0.00 C ATOM 167 CG LEU A 13 7.587 1.563 -2.757 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.427 1.070 -3.607 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.442 3.049 -2.464 1.00 0.00 C ATOM 0 H LEU A 13 7.721 2.782 -0.057 1.00 0.00 H new ATOM 0 HA LEU A 13 5.620 1.123 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.650 0.953 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.647 -0.301 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 13 8.511 1.414 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.377 1.652 -4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.576 0.018 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.495 1.186 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.378 3.600 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.537 3.218 -1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.308 3.395 -1.899 1.00 0.00 H new ATOM 181 N TYR A 14 6.958 0.188 1.826 1.00 0.00 N ATOM 182 CA TYR A 14 6.925 -0.837 2.870 1.00 0.00 C ATOM 183 C TYR A 14 5.501 -1.081 3.322 1.00 0.00 C ATOM 184 O TYR A 14 5.045 -2.223 3.394 1.00 0.00 O ATOM 185 CB TYR A 14 7.790 -0.465 4.088 1.00 0.00 C ATOM 186 CG TYR A 14 8.592 0.808 3.943 1.00 0.00 C ATOM 187 CD1 TYR A 14 9.551 0.938 2.948 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.396 1.874 4.812 1.00 0.00 C ATOM 189 CE1 TYR A 14 10.292 2.098 2.819 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.131 3.037 4.689 1.00 0.00 C ATOM 191 CZ TYR A 14 10.079 3.144 3.692 1.00 0.00 C ATOM 192 OH TYR A 14 10.814 4.300 3.567 1.00 0.00 O ATOM 0 H TYR A 14 7.341 1.086 2.120 1.00 0.00 H new ATOM 0 HA TYR A 14 7.339 -1.745 2.432 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.141 -0.370 4.959 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.477 -1.287 4.291 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.721 0.120 2.264 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.658 1.792 5.596 1.00 0.00 H new ATOM 0 HE1 TYR A 14 11.034 2.185 2.039 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.965 3.859 5.370 1.00 0.00 H new ATOM 0 HH TYR A 14 10.540 4.938 4.259 1.00 0.00 H new ATOM 202 N GLN A 15 4.802 -0.001 3.631 1.00 0.00 N ATOM 203 CA GLN A 15 3.428 -0.102 4.081 1.00 0.00 C ATOM 204 C GLN A 15 2.580 -0.841 3.052 1.00 0.00 C ATOM 205 O GLN A 15 1.615 -1.518 3.403 1.00 0.00 O ATOM 206 CB GLN A 15 2.841 1.280 4.370 1.00 0.00 C ATOM 207 CG GLN A 15 3.213 2.330 3.345 1.00 0.00 C ATOM 208 CD GLN A 15 2.489 3.644 3.561 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.109 4.707 3.605 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.170 3.580 3.694 1.00 0.00 N ATOM 0 H GLN A 15 5.164 0.951 3.578 1.00 0.00 H new ATOM 0 HA GLN A 15 3.419 -0.672 5.010 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.755 1.200 4.417 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.179 1.609 5.353 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.289 2.503 3.382 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.985 1.954 2.348 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.696 2.678 3.651 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.630 4.433 3.839 1.00 0.00 H new ATOM 219 N LEU A 16 2.955 -0.727 1.778 1.00 0.00 N ATOM 220 CA LEU A 16 2.220 -1.408 0.721 1.00 0.00 C ATOM 221 C LEU A 16 2.469 -2.909 0.785 1.00 0.00 C ATOM 222 O LEU A 16 1.531 -3.700 0.796 1.00 0.00 O ATOM 223 CB LEU A 16 2.612 -0.862 -0.661 1.00 0.00 C ATOM 224 CG LEU A 16 1.860 0.395 -1.141 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.596 0.319 -2.635 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.544 0.582 -0.401 1.00 0.00 C ATOM 0 H LEU A 16 3.752 -0.177 1.459 1.00 0.00 H new ATOM 0 HA LEU A 16 1.157 -1.221 0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.679 -0.638 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.460 -1.652 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 16 2.497 1.253 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.064 1.215 -2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.544 0.248 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.990 -0.561 -2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.044 1.479 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.095 -0.285 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.738 0.686 0.666 1.00 0.00 H new ATOM 238 N GLU A 17 3.737 -3.301 0.839 1.00 0.00 N ATOM 239 CA GLU A 17 4.090 -4.715 0.912 1.00 0.00 C ATOM 240 C GLU A 17 3.315 -5.418 2.024 1.00 0.00 C ATOM 241 O GLU A 17 3.015 -6.608 1.927 1.00 0.00 O ATOM 242 CB GLU A 17 5.594 -4.876 1.145 1.00 0.00 C ATOM 243 CG GLU A 17 6.138 -6.224 0.700 1.00 0.00 C ATOM 244 CD GLU A 17 5.633 -7.368 1.557 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.334 -7.132 2.746 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.536 -8.500 1.039 1.00 0.00 O ATOM 0 H GLU A 17 4.534 -2.664 0.834 1.00 0.00 H new ATOM 0 HA GLU A 17 3.823 -5.177 -0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.122 -4.086 0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.805 -4.740 2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.856 -6.401 -0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.227 -6.202 0.735 1.00 0.00 H new ATOM 253 N ASN A 18 2.987 -4.672 3.076 1.00 0.00 N ATOM 254 CA ASN A 18 2.244 -5.227 4.203 1.00 0.00 C ATOM 255 C ASN A 18 0.805 -5.559 3.814 1.00 0.00 C ATOM 256 O ASN A 18 0.087 -6.217 4.569 1.00 0.00 O ATOM 257 CB ASN A 18 2.251 -4.245 5.376 1.00 0.00 C ATOM 258 CG ASN A 18 1.666 -4.846 6.638 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.320 -5.626 7.330 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.425 -4.485 6.946 1.00 0.00 N ATOM 0 H ASN A 18 3.223 -3.684 3.171 1.00 0.00 H new ATOM 0 HA ASN A 18 2.737 -6.152 4.502 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.274 -3.924 5.571 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.684 -3.355 5.104 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.021 -4.857 7.784 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.081 -3.835 6.344 1.00 0.00 H new ATOM 267 N TYR A 19 0.385 -5.102 2.638 1.00 0.00 N ATOM 268 CA TYR A 19 -0.969 -5.352 2.162 1.00 0.00 C ATOM 269 C TYR A 19 -1.141 -6.794 1.703 1.00 0.00 C ATOM 270 O TYR A 19 -2.128 -7.447 2.042 1.00 0.00 O ATOM 271 CB TYR A 19 -1.310 -4.409 1.011 1.00 0.00 C ATOM 272 CG TYR A 19 -1.930 -3.106 1.447 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.897 -3.073 2.441 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.552 -1.908 0.858 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.470 -1.883 2.839 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.120 -0.713 1.247 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.079 -0.702 2.239 1.00 0.00 C ATOM 278 OH TYR A 19 -3.648 0.487 2.632 1.00 0.00 O ATOM 0 H TYR A 19 0.963 -4.557 1.998 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.648 -5.172 2.996 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.401 -4.196 0.448 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.995 -4.916 0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.207 -3.995 2.911 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.801 -1.911 0.082 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.220 -1.875 3.616 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.815 0.210 0.777 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.262 1.222 2.112 1.00 0.00 H new ATOM 288 N CYS A 20 -0.186 -7.287 0.922 1.00 0.00 N ATOM 289 CA CYS A 20 -0.263 -8.654 0.417 1.00 0.00 C ATOM 290 C CYS A 20 0.649 -9.594 1.184 1.00 0.00 C ATOM 291 O CYS A 20 1.627 -9.174 1.804 1.00 0.00 O ATOM 292 CB CYS A 20 0.071 -8.736 -1.078 1.00 0.00 C ATOM 293 SG CYS A 20 0.111 -7.142 -1.949 1.00 0.00 S ATOM 0 H CYS A 20 0.641 -6.768 0.627 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.297 -8.967 0.563 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.042 -9.218 -1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.663 -9.379 -1.563 1.00 0.00 H new ATOM 298 N ASN A 21 0.314 -10.873 1.120 1.00 0.00 N ATOM 299 CA ASN A 21 1.092 -11.907 1.791 1.00 0.00 C ATOM 300 C ASN A 21 1.585 -12.948 0.790 1.00 0.00 C ATOM 301 O ASN A 21 2.496 -12.687 0.005 1.00 0.00 O ATOM 302 CB ASN A 21 0.259 -12.585 2.879 1.00 0.00 C ATOM 303 CG ASN A 21 1.082 -13.536 3.724 1.00 0.00 C ATOM 304 OD1 ASN A 21 2.304 -13.606 3.587 1.00 0.00 O ATOM 305 ND2 ASN A 21 0.417 -14.277 4.602 1.00 0.00 N ATOM 0 H ASN A 21 -0.496 -11.223 0.608 1.00 0.00 H new ATOM 0 HA ASN A 21 1.956 -11.431 2.254 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.185 -11.824 3.521 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.563 -13.132 2.417 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.919 -14.937 5.196 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.596 -14.187 4.682 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 12.043 1.684 -2.501 1.00 0.00 N ATOM 314 CA PHE B 1 13.084 1.731 -3.524 1.00 0.00 C ATOM 315 C PHE B 1 13.258 3.158 -4.040 1.00 0.00 C ATOM 316 O PHE B 1 14.323 3.525 -4.537 1.00 0.00 O ATOM 317 CB PHE B 1 12.767 0.786 -4.691 1.00 0.00 C ATOM 318 CG PHE B 1 11.324 0.374 -4.784 1.00 0.00 C ATOM 319 CD1 PHE B 1 10.870 -0.754 -4.122 1.00 0.00 C ATOM 320 CD2 PHE B 1 10.427 1.112 -5.539 1.00 0.00 C ATOM 321 CE1 PHE B 1 9.547 -1.141 -4.211 1.00 0.00 C ATOM 322 CE2 PHE B 1 9.100 0.731 -5.631 1.00 0.00 C ATOM 323 CZ PHE B 1 8.660 -0.397 -4.967 1.00 0.00 C ATOM 0 H1 PHE B 1 12.313 1.003 -1.762 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.929 2.627 -2.078 1.00 0.00 H new ATOM 0 H3 PHE B 1 11.145 1.388 -2.933 1.00 0.00 H new ATOM 0 HA PHE B 1 14.015 1.400 -3.064 1.00 0.00 H new ATOM 0 HB2 PHE B 1 13.054 1.272 -5.624 1.00 0.00 H new ATOM 0 HB3 PHE B 1 13.382 -0.109 -4.595 1.00 0.00 H new ATOM 0 HD1 PHE B 1 11.558 -1.338 -3.529 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.767 1.994 -6.061 1.00 0.00 H new ATOM 0 HE1 PHE B 1 9.206 -2.024 -3.691 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.409 1.315 -6.221 1.00 0.00 H new ATOM 0 HZ PHE B 1 7.625 -0.697 -5.038 1.00 0.00 H new ATOM 333 N VAL B 2 12.204 3.960 -3.911 1.00 0.00 N ATOM 334 CA VAL B 2 12.233 5.347 -4.354 1.00 0.00 C ATOM 335 C VAL B 2 11.477 6.242 -3.376 1.00 0.00 C ATOM 336 O VAL B 2 10.855 5.756 -2.431 1.00 0.00 O ATOM 337 CB VAL B 2 11.620 5.503 -5.760 1.00 0.00 C ATOM 338 CG1 VAL B 2 12.413 4.704 -6.782 1.00 0.00 C ATOM 339 CG2 VAL B 2 10.160 5.074 -5.759 1.00 0.00 C ATOM 0 H VAL B 2 11.316 3.669 -3.501 1.00 0.00 H new ATOM 0 HA VAL B 2 13.279 5.650 -4.392 1.00 0.00 H new ATOM 0 HB VAL B 2 11.667 6.556 -6.039 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.964 4.827 -7.768 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.442 5.062 -6.804 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.402 3.649 -6.507 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.746 5.192 -6.760 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.088 4.029 -5.457 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.599 5.694 -5.059 1.00 0.00 H new ATOM 349 N ASN B 3 11.531 7.550 -3.607 1.00 0.00 N ATOM 350 CA ASN B 3 10.846 8.507 -2.743 1.00 0.00 C ATOM 351 C ASN B 3 9.869 9.357 -3.546 1.00 0.00 C ATOM 352 O ASN B 3 10.052 10.566 -3.694 1.00 0.00 O ATOM 353 CB ASN B 3 11.857 9.404 -2.027 1.00 0.00 C ATOM 354 CG ASN B 3 12.884 8.609 -1.246 1.00 0.00 C ATOM 355 OD1 ASN B 3 14.087 8.737 -1.470 1.00 0.00 O ATOM 356 ND2 ASN B 3 12.412 7.780 -0.321 1.00 0.00 N ATOM 0 H ASN B 3 12.041 7.972 -4.383 1.00 0.00 H new ATOM 0 HA ASN B 3 10.285 7.946 -1.996 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.367 10.029 -2.760 1.00 0.00 H new ATOM 0 HB3 ASN B 3 11.328 10.074 -1.349 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.055 7.218 0.237 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.406 7.705 -0.168 1.00 0.00 H new ATOM 363 N GLN B 4 8.829 8.714 -4.062 1.00 0.00 N ATOM 364 CA GLN B 4 7.815 9.402 -4.850 1.00 0.00 C ATOM 365 C GLN B 4 6.415 9.001 -4.383 1.00 0.00 C ATOM 366 O GLN B 4 6.219 8.668 -3.210 1.00 0.00 O ATOM 367 CB GLN B 4 8.007 9.087 -6.339 1.00 0.00 C ATOM 368 CG GLN B 4 7.686 7.647 -6.708 1.00 0.00 C ATOM 369 CD GLN B 4 7.443 7.468 -8.193 1.00 0.00 C ATOM 370 OE1 GLN B 4 8.213 6.801 -8.884 1.00 0.00 O ATOM 371 NE2 GLN B 4 6.368 8.067 -8.693 1.00 0.00 N ATOM 0 H GLN B 4 8.666 7.714 -3.948 1.00 0.00 H new ATOM 0 HA GLN B 4 7.923 10.477 -4.708 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.374 9.752 -6.926 1.00 0.00 H new ATOM 0 HB3 GLN B 4 9.039 9.302 -6.616 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.510 7.004 -6.398 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.803 7.322 -6.157 1.00 0.00 H new ATOM 0 HE21 GLN B 4 5.757 8.610 -8.083 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.154 7.984 -9.687 1.00 0.00 H new ATOM 380 N HIS B 5 5.440 9.031 -5.290 1.00 0.00 N ATOM 381 CA HIS B 5 4.080 8.664 -4.931 1.00 0.00 C ATOM 382 C HIS B 5 3.423 7.801 -6.001 1.00 0.00 C ATOM 383 O HIS B 5 4.019 7.501 -7.034 1.00 0.00 O ATOM 384 CB HIS B 5 3.239 9.911 -4.654 1.00 0.00 C ATOM 385 CG HIS B 5 2.638 9.889 -3.288 1.00 0.00 C ATOM 386 ND1 HIS B 5 3.023 9.218 -2.184 1.00 0.00 N flip ATOM 387 CD2 HIS B 5 1.492 10.567 -2.941 1.00 0.00 C flip ATOM 388 CE1 HIS B 5 2.113 9.492 -1.198 1.00 0.00 C flip ATOM 389 NE2 HIS B 5 1.199 10.305 -1.678 1.00 0.00 N flip ATOM 0 H HIS B 5 5.568 9.302 -6.265 1.00 0.00 H new ATOM 0 HA HIS B 5 4.134 8.069 -4.019 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.862 10.799 -4.762 1.00 0.00 H new ATOM 0 HB3 HIS B 5 2.446 9.986 -5.398 1.00 0.00 H new ATOM 0 HD1 HIS B 5 3.842 8.616 -2.099 1.00 0.00 H new ATOM 0 HD2 HIS B 5 0.923 11.210 -3.595 1.00 0.00 H new ATOM 0 HE1 HIS B 5 2.142 9.103 -0.191 1.00 0.00 H new ATOM 398 N LEU B 6 2.188 7.393 -5.727 1.00 0.00 N ATOM 399 CA LEU B 6 1.434 6.547 -6.638 1.00 0.00 C ATOM 400 C LEU B 6 -0.065 6.805 -6.486 1.00 0.00 C ATOM 401 O LEU B 6 -0.460 7.846 -5.973 1.00 0.00 O ATOM 402 CB LEU B 6 1.766 5.079 -6.356 1.00 0.00 C ATOM 403 CG LEU B 6 2.456 4.345 -7.501 1.00 0.00 C ATOM 404 CD1 LEU B 6 1.663 4.512 -8.779 1.00 0.00 C ATOM 405 CD2 LEU B 6 3.873 4.856 -7.691 1.00 0.00 C ATOM 0 H LEU B 6 1.687 7.639 -4.873 1.00 0.00 H new ATOM 0 HA LEU B 6 1.711 6.782 -7.666 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.405 5.029 -5.474 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.843 4.554 -6.111 1.00 0.00 H new ATOM 0 HG LEU B 6 2.505 3.285 -7.251 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.165 3.984 -9.590 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.663 4.101 -8.643 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.590 5.571 -9.026 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.346 4.319 -8.513 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.848 5.921 -7.921 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.443 4.695 -6.776 1.00 0.00 H new ATOM 417 N CYS B 7 -0.898 5.857 -6.927 1.00 0.00 N ATOM 418 CA CYS B 7 -2.353 5.997 -6.825 1.00 0.00 C ATOM 419 C CYS B 7 -3.074 4.973 -7.702 1.00 0.00 C ATOM 420 O CYS B 7 -2.572 4.576 -8.753 1.00 0.00 O ATOM 421 CB CYS B 7 -2.798 7.411 -7.214 1.00 0.00 C ATOM 422 SG CYS B 7 -4.579 7.720 -6.996 1.00 0.00 S ATOM 0 H CYS B 7 -0.589 4.985 -7.358 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.621 5.814 -5.784 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.240 8.132 -6.617 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.535 7.589 -8.257 1.00 0.00 H new HETATM 427 N DSN B 8 -4.266 4.565 -7.264 1.00 0.00 N HETATM 428 CA DSN B 8 -5.088 3.601 -7.997 1.00 0.00 C HETATM 429 C DSN B 8 -4.250 2.467 -8.605 1.00 0.00 C HETATM 430 O DSN B 8 -3.193 2.124 -8.081 1.00 0.00 O HETATM 431 CB DSN B 8 -6.052 2.910 -7.000 1.00 0.00 C HETATM 432 OG DSN B 8 -6.875 1.916 -7.621 1.00 0.00 O HETATM 0 HG DSN B 8 -7.462 1.511 -6.949 1.00 0.00 H new HETATM 0 HB3 DSN B 8 -5.471 2.447 -6.202 1.00 0.00 H new HETATM 0 HB2 DSN B 8 -6.688 3.663 -6.536 1.00 0.00 H new HETATM 0 HA DSN B 8 -5.599 4.155 -8.785 1.00 0.00 H new HETATM 0 H2 DSN B 8 -4.703 5.368 -6.812 1.00 0.00 H new ATOM 438 N SER B 9 -4.741 1.884 -9.706 1.00 0.00 N ATOM 439 CA SER B 9 -4.053 0.780 -10.387 1.00 0.00 C ATOM 440 C SER B 9 -2.537 0.968 -10.383 1.00 0.00 C ATOM 441 O SER B 9 -1.784 0.004 -10.245 1.00 0.00 O ATOM 442 CB SER B 9 -4.552 0.656 -11.826 1.00 0.00 C ATOM 443 OG SER B 9 -5.625 -0.264 -11.917 1.00 0.00 O ATOM 0 H SER B 9 -5.618 2.161 -10.147 1.00 0.00 H new ATOM 0 HA SER B 9 -4.280 -0.135 -9.839 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.875 1.632 -12.188 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.735 0.331 -12.471 1.00 0.00 H new ATOM 0 HG SER B 9 -5.927 -0.324 -12.847 1.00 0.00 H new ATOM 449 N ASP B 10 -2.100 2.212 -10.520 1.00 0.00 N ATOM 450 CA ASP B 10 -0.675 2.523 -10.515 1.00 0.00 C ATOM 451 C ASP B 10 -0.079 2.128 -9.174 1.00 0.00 C ATOM 452 O ASP B 10 0.885 1.366 -9.109 1.00 0.00 O ATOM 453 CB ASP B 10 -0.438 4.011 -10.785 1.00 0.00 C ATOM 454 CG ASP B 10 -1.256 4.524 -11.953 1.00 0.00 C ATOM 455 OD1 ASP B 10 -1.551 3.727 -12.867 1.00 0.00 O ATOM 456 OD2 ASP B 10 -1.603 5.724 -11.953 1.00 0.00 O ATOM 0 H ASP B 10 -2.709 3.022 -10.636 1.00 0.00 H new ATOM 0 HA ASP B 10 -0.188 1.958 -11.310 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.687 4.584 -9.892 1.00 0.00 H new ATOM 0 HB3 ASP B 10 0.620 4.177 -10.986 1.00 0.00 H new ATOM 461 N LEU B 11 -0.690 2.623 -8.101 1.00 0.00 N ATOM 462 CA LEU B 11 -0.250 2.289 -6.755 1.00 0.00 C ATOM 463 C LEU B 11 -0.274 0.782 -6.600 1.00 0.00 C ATOM 464 O LEU B 11 0.657 0.172 -6.075 1.00 0.00 O ATOM 465 CB LEU B 11 -1.169 2.940 -5.710 1.00 0.00 C ATOM 466 CG LEU B 11 -1.315 2.168 -4.389 1.00 0.00 C ATOM 467 CD1 LEU B 11 -0.585 2.878 -3.270 1.00 0.00 C ATOM 468 CD2 LEU B 11 -2.779 1.977 -4.034 1.00 0.00 C ATOM 0 H LEU B 11 -1.489 3.255 -8.140 1.00 0.00 H new ATOM 0 HA LEU B 11 0.761 2.665 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.790 3.938 -5.488 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.159 3.066 -6.149 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.865 1.184 -4.522 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.702 2.314 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.474 2.955 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.001 3.877 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.857 1.428 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.257 2.951 -3.926 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.275 1.415 -4.825 1.00 0.00 H new ATOM 480 N VAL B 12 -1.361 0.196 -7.079 1.00 0.00 N ATOM 481 CA VAL B 12 -1.551 -1.236 -7.026 1.00 0.00 C ATOM 482 C VAL B 12 -0.350 -1.947 -7.632 1.00 0.00 C ATOM 483 O VAL B 12 0.207 -2.865 -7.036 1.00 0.00 O ATOM 484 CB VAL B 12 -2.846 -1.634 -7.767 1.00 0.00 C ATOM 485 CG1 VAL B 12 -2.763 -3.037 -8.335 1.00 0.00 C ATOM 486 CG2 VAL B 12 -4.036 -1.507 -6.838 1.00 0.00 C ATOM 0 H VAL B 12 -2.132 0.703 -7.514 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.645 -1.539 -5.983 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.972 -0.951 -8.607 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.694 -3.277 -8.848 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.934 -3.095 -9.041 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.601 -3.748 -7.525 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.945 -1.790 -7.370 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.899 -2.164 -5.979 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.122 -0.476 -6.496 1.00 0.00 H new ATOM 496 N GLU B 13 0.057 -1.501 -8.814 1.00 0.00 N ATOM 497 CA GLU B 13 1.211 -2.084 -9.486 1.00 0.00 C ATOM 498 C GLU B 13 2.402 -2.106 -8.536 1.00 0.00 C ATOM 499 O GLU B 13 3.075 -3.125 -8.391 1.00 0.00 O ATOM 500 CB GLU B 13 1.551 -1.297 -10.751 1.00 0.00 C ATOM 501 CG GLU B 13 2.739 -1.856 -11.518 1.00 0.00 C ATOM 502 CD GLU B 13 2.389 -3.103 -12.306 1.00 0.00 C ATOM 503 OE1 GLU B 13 1.997 -4.111 -11.680 1.00 0.00 O ATOM 504 OE2 GLU B 13 2.506 -3.073 -13.549 1.00 0.00 O ATOM 0 H GLU B 13 -0.392 -0.741 -9.325 1.00 0.00 H new ATOM 0 HA GLU B 13 0.970 -3.106 -9.778 1.00 0.00 H new ATOM 0 HB2 GLU B 13 0.680 -1.285 -11.406 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.760 -0.262 -10.479 1.00 0.00 H new ATOM 0 HG2 GLU B 13 3.118 -1.094 -12.199 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.543 -2.086 -10.819 1.00 0.00 H new ATOM 511 N ALA B 14 2.630 -0.981 -7.858 1.00 0.00 N ATOM 512 CA ALA B 14 3.710 -0.887 -6.885 1.00 0.00 C ATOM 513 C ALA B 14 3.461 -1.896 -5.775 1.00 0.00 C ATOM 514 O ALA B 14 4.268 -2.791 -5.532 1.00 0.00 O ATOM 515 CB ALA B 14 3.800 0.522 -6.322 1.00 0.00 C ATOM 0 H ALA B 14 2.082 -0.127 -7.966 1.00 0.00 H new ATOM 0 HA ALA B 14 4.660 -1.110 -7.371 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.612 0.573 -5.597 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.992 1.226 -7.132 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.860 0.779 -5.833 1.00 0.00 H new ATOM 521 N LEU B 15 2.305 -1.758 -5.130 1.00 0.00 N ATOM 522 CA LEU B 15 1.891 -2.663 -4.074 1.00 0.00 C ATOM 523 C LEU B 15 2.090 -4.109 -4.518 1.00 0.00 C ATOM 524 O LEU B 15 2.927 -4.828 -3.977 1.00 0.00 O ATOM 525 CB LEU B 15 0.412 -2.407 -3.759 1.00 0.00 C ATOM 526 CG LEU B 15 -0.010 -2.646 -2.313 1.00 0.00 C ATOM 527 CD1 LEU B 15 -1.517 -2.458 -2.157 1.00 0.00 C ATOM 528 CD2 LEU B 15 0.408 -4.037 -1.878 1.00 0.00 C ATOM 0 H LEU B 15 1.634 -1.016 -5.328 1.00 0.00 H new ATOM 0 HA LEU B 15 2.493 -2.491 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.178 -1.375 -4.020 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.193 -3.044 -4.404 1.00 0.00 H new ATOM 0 HG LEU B 15 0.487 -1.917 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.800 -2.633 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.788 -1.441 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.040 -3.166 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.104 -4.202 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.070 -4.778 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.491 -4.133 -1.957 1.00 0.00 H new ATOM 540 N TYR B 16 1.313 -4.515 -5.515 1.00 0.00 N ATOM 541 CA TYR B 16 1.382 -5.866 -6.055 1.00 0.00 C ATOM 542 C TYR B 16 2.818 -6.271 -6.387 1.00 0.00 C ATOM 543 O TYR B 16 3.159 -7.454 -6.359 1.00 0.00 O ATOM 544 CB TYR B 16 0.506 -5.975 -7.306 1.00 0.00 C ATOM 545 CG TYR B 16 -0.688 -6.877 -7.119 1.00 0.00 C ATOM 546 CD1 TYR B 16 -0.570 -8.056 -6.400 1.00 0.00 C ATOM 547 CD2 TYR B 16 -1.927 -6.553 -7.654 1.00 0.00 C ATOM 548 CE1 TYR B 16 -1.651 -8.892 -6.215 1.00 0.00 C ATOM 549 CE2 TYR B 16 -3.016 -7.384 -7.473 1.00 0.00 C ATOM 550 CZ TYR B 16 -2.874 -8.553 -6.754 1.00 0.00 C ATOM 551 OH TYR B 16 -3.956 -9.382 -6.573 1.00 0.00 O ATOM 0 H TYR B 16 0.621 -3.920 -5.970 1.00 0.00 H new ATOM 0 HA TYR B 16 1.013 -6.548 -5.289 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.161 -4.980 -7.588 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.110 -6.349 -8.133 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.386 -8.325 -5.977 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.041 -5.640 -8.219 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -1.540 -9.807 -5.651 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.975 -7.119 -7.893 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.741 -8.997 -7.015 1.00 0.00 H new ATOM 561 N LEU B 17 3.651 -5.287 -6.707 1.00 0.00 N ATOM 562 CA LEU B 17 5.044 -5.548 -7.054 1.00 0.00 C ATOM 563 C LEU B 17 5.880 -5.861 -5.816 1.00 0.00 C ATOM 564 O LEU B 17 6.515 -6.912 -5.737 1.00 0.00 O ATOM 565 CB LEU B 17 5.643 -4.349 -7.791 1.00 0.00 C ATOM 566 CG LEU B 17 7.084 -4.537 -8.269 1.00 0.00 C ATOM 567 CD1 LEU B 17 7.109 -5.014 -9.714 1.00 0.00 C ATOM 568 CD2 LEU B 17 7.868 -3.243 -8.120 1.00 0.00 C ATOM 0 H LEU B 17 3.387 -4.302 -6.733 1.00 0.00 H new ATOM 0 HA LEU B 17 5.062 -6.421 -7.707 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.017 -4.122 -8.654 1.00 0.00 H new ATOM 0 HB3 LEU B 17 5.605 -3.481 -7.133 1.00 0.00 H new ATOM 0 HG LEU B 17 7.556 -5.298 -7.648 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.142 -5.142 -10.037 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.584 -5.966 -9.792 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.619 -4.276 -10.349 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.891 -3.395 -8.465 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.397 -2.461 -8.716 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.879 -2.943 -7.072 1.00 0.00 H new ATOM 580 N VAL B 18 5.891 -4.939 -4.859 1.00 0.00 N ATOM 581 CA VAL B 18 6.667 -5.119 -3.637 1.00 0.00 C ATOM 582 C VAL B 18 6.269 -6.396 -2.899 1.00 0.00 C ATOM 583 O VAL B 18 7.128 -7.139 -2.424 1.00 0.00 O ATOM 584 CB VAL B 18 6.526 -3.906 -2.691 1.00 0.00 C ATOM 585 CG1 VAL B 18 6.812 -2.615 -3.440 1.00 0.00 C ATOM 586 CG2 VAL B 18 5.146 -3.854 -2.052 1.00 0.00 C ATOM 0 H VAL B 18 5.373 -4.062 -4.905 1.00 0.00 H new ATOM 0 HA VAL B 18 7.710 -5.205 -3.941 1.00 0.00 H new ATOM 0 HB VAL B 18 7.258 -4.021 -1.892 1.00 0.00 H new ATOM 0 HG11 VAL B 18 6.709 -1.769 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.828 -2.641 -3.835 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.105 -2.507 -4.263 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.083 -2.988 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.387 -3.774 -2.831 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.978 -4.763 -1.474 1.00 0.00 H new ATOM 596 N CYS B 19 4.968 -6.642 -2.793 1.00 0.00 N ATOM 597 CA CYS B 19 4.474 -7.830 -2.097 1.00 0.00 C ATOM 598 C CYS B 19 4.487 -9.065 -2.994 1.00 0.00 C ATOM 599 O CYS B 19 4.911 -10.142 -2.576 1.00 0.00 O ATOM 600 CB CYS B 19 3.051 -7.596 -1.598 1.00 0.00 C ATOM 601 SG CYS B 19 1.878 -7.178 -2.917 1.00 0.00 S ATOM 0 H CYS B 19 4.239 -6.041 -3.176 1.00 0.00 H new ATOM 0 HA CYS B 19 5.144 -8.009 -1.256 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.703 -8.492 -1.085 1.00 0.00 H new ATOM 0 HB3 CYS B 19 3.060 -6.791 -0.863 1.00 0.00 H new ATOM 606 N GLY B 20 4.001 -8.908 -4.221 1.00 0.00 N ATOM 607 CA GLY B 20 3.945 -10.024 -5.147 1.00 0.00 C ATOM 608 C GLY B 20 2.528 -10.287 -5.627 1.00 0.00 C ATOM 609 O GLY B 20 1.565 -9.813 -5.025 1.00 0.00 O ATOM 0 H GLY B 20 3.645 -8.027 -4.591 1.00 0.00 H new ATOM 0 HA2 GLY B 20 4.587 -9.818 -6.004 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.337 -10.918 -4.663 1.00 0.00 H new ATOM 613 N GLU B 21 2.399 -11.038 -6.717 1.00 0.00 N ATOM 614 CA GLU B 21 1.088 -11.353 -7.286 1.00 0.00 C ATOM 615 C GLU B 21 0.243 -12.233 -6.359 1.00 0.00 C ATOM 616 O GLU B 21 -0.904 -12.546 -6.677 1.00 0.00 O ATOM 617 CB GLU B 21 1.260 -12.044 -8.640 1.00 0.00 C ATOM 618 CG GLU B 21 2.022 -11.206 -9.655 1.00 0.00 C ATOM 619 CD GLU B 21 3.444 -11.690 -9.861 1.00 0.00 C ATOM 620 OE1 GLU B 21 3.939 -12.461 -9.011 1.00 0.00 O ATOM 621 OE2 GLU B 21 4.065 -11.299 -10.872 1.00 0.00 O ATOM 0 H GLU B 21 3.186 -11.441 -7.226 1.00 0.00 H new ATOM 0 HA GLU B 21 0.557 -10.410 -7.413 1.00 0.00 H new ATOM 0 HB2 GLU B 21 1.784 -12.988 -8.493 1.00 0.00 H new ATOM 0 HB3 GLU B 21 0.277 -12.285 -9.044 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.493 -11.227 -10.608 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.040 -10.168 -9.323 1.00 0.00 H new ATOM 628 N ARG B 22 0.804 -12.638 -5.221 1.00 0.00 N ATOM 629 CA ARG B 22 0.082 -13.485 -4.272 1.00 0.00 C ATOM 630 C ARG B 22 -1.324 -12.952 -3.995 1.00 0.00 C ATOM 631 O ARG B 22 -2.269 -13.728 -3.840 1.00 0.00 O ATOM 632 CB ARG B 22 0.863 -13.600 -2.961 1.00 0.00 C ATOM 633 CG ARG B 22 2.261 -14.174 -3.134 1.00 0.00 C ATOM 634 CD ARG B 22 2.241 -15.692 -3.206 1.00 0.00 C ATOM 635 NE ARG B 22 1.636 -16.293 -2.017 1.00 0.00 N ATOM 636 CZ ARG B 22 0.383 -16.743 -1.961 1.00 0.00 C ATOM 637 NH1 ARG B 22 -0.417 -16.654 -3.018 1.00 0.00 N ATOM 638 NH2 ARG B 22 -0.074 -17.282 -0.839 1.00 0.00 N ATOM 0 H ARG B 22 1.752 -12.395 -4.934 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.016 -14.473 -4.723 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.938 -12.613 -2.505 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.304 -14.229 -2.269 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.709 -13.773 -4.043 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.890 -13.857 -2.302 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.687 -16.005 -4.091 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.260 -16.062 -3.320 1.00 0.00 H new ATOM 0 HE ARG B 22 2.210 -16.373 -1.178 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -0.074 -16.238 -3.884 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -1.374 -17.002 -2.964 1.00 0.00 H new ATOM 0 HH21 ARG B 22 0.533 -17.351 -0.022 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -1.033 -17.627 -0.793 1.00 0.00 H new ATOM 652 N GLY B 23 -1.460 -11.631 -3.934 1.00 0.00 N ATOM 653 CA GLY B 23 -2.761 -11.030 -3.678 1.00 0.00 C ATOM 654 C GLY B 23 -2.809 -10.268 -2.365 1.00 0.00 C ATOM 655 O GLY B 23 -2.305 -10.742 -1.347 1.00 0.00 O ATOM 0 H GLY B 23 -0.696 -10.966 -4.057 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.011 -10.353 -4.495 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.521 -11.811 -3.668 1.00 0.00 H new ATOM 659 N PHE B 24 -3.418 -9.082 -2.389 1.00 0.00 N ATOM 660 CA PHE B 24 -3.525 -8.251 -1.188 1.00 0.00 C ATOM 661 C PHE B 24 -4.960 -8.162 -0.680 1.00 0.00 C ATOM 662 O PHE B 24 -5.854 -8.849 -1.175 1.00 0.00 O ATOM 663 CB PHE B 24 -2.998 -6.833 -1.446 1.00 0.00 C ATOM 664 CG PHE B 24 -3.226 -6.315 -2.844 1.00 0.00 C ATOM 665 CD1 PHE B 24 -4.405 -6.586 -3.520 1.00 0.00 C ATOM 666 CD2 PHE B 24 -2.259 -5.550 -3.479 1.00 0.00 C ATOM 667 CE1 PHE B 24 -4.613 -6.106 -4.800 1.00 0.00 C ATOM 668 CE2 PHE B 24 -2.461 -5.068 -4.757 1.00 0.00 C ATOM 669 CZ PHE B 24 -3.640 -5.346 -5.418 1.00 0.00 C ATOM 0 H PHE B 24 -3.843 -8.676 -3.223 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.914 -8.734 -0.425 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -3.472 -6.151 -0.740 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.928 -6.815 -1.238 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -5.170 -7.179 -3.041 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -1.335 -5.328 -2.966 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -5.536 -6.325 -5.316 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.698 -4.475 -5.238 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.801 -4.970 -6.417 1.00 0.00 H new ATOM 679 N PHE B 25 -5.164 -7.301 0.316 1.00 0.00 N ATOM 680 CA PHE B 25 -6.480 -7.102 0.908 1.00 0.00 C ATOM 681 C PHE B 25 -6.794 -5.616 1.069 1.00 0.00 C ATOM 682 O PHE B 25 -7.774 -5.244 1.715 1.00 0.00 O ATOM 683 CB PHE B 25 -6.555 -7.826 2.249 1.00 0.00 C ATOM 684 CG PHE B 25 -6.015 -9.221 2.160 1.00 0.00 C ATOM 685 CD1 PHE B 25 -6.799 -10.247 1.662 1.00 0.00 C ATOM 686 CD2 PHE B 25 -4.715 -9.498 2.543 1.00 0.00 C ATOM 687 CE1 PHE B 25 -6.296 -11.527 1.550 1.00 0.00 C ATOM 688 CE2 PHE B 25 -4.206 -10.776 2.437 1.00 0.00 C ATOM 689 CZ PHE B 25 -4.998 -11.794 1.939 1.00 0.00 C ATOM 0 H PHE B 25 -4.428 -6.729 0.730 1.00 0.00 H new ATOM 0 HA PHE B 25 -7.231 -7.521 0.239 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -5.993 -7.266 2.996 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.591 -7.858 2.587 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.815 -10.044 1.358 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -4.092 -8.705 2.929 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -6.917 -12.319 1.159 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -3.191 -10.981 2.743 1.00 0.00 H new ATOM 0 HZ PHE B 25 -4.603 -12.795 1.854 1.00 0.00 H new ATOM 699 N TYR B 26 -5.976 -4.770 0.438 1.00 0.00 N ATOM 700 CA TYR B 26 -6.187 -3.325 0.470 1.00 0.00 C ATOM 701 C TYR B 26 -7.243 -2.940 -0.563 1.00 0.00 C ATOM 702 O TYR B 26 -7.515 -1.761 -0.793 1.00 0.00 O ATOM 703 CB TYR B 26 -4.868 -2.590 0.170 1.00 0.00 C ATOM 704 CG TYR B 26 -4.831 -1.887 -1.174 1.00 0.00 C ATOM 705 CD1 TYR B 26 -4.771 -2.604 -2.367 1.00 0.00 C ATOM 706 CD2 TYR B 26 -4.881 -0.501 -1.247 1.00 0.00 C ATOM 707 CE1 TYR B 26 -4.764 -1.954 -3.588 1.00 0.00 C ATOM 708 CE2 TYR B 26 -4.870 0.153 -2.462 1.00 0.00 C ATOM 709 CZ TYR B 26 -4.814 -0.575 -3.628 1.00 0.00 C ATOM 710 OH TYR B 26 -4.811 0.079 -4.838 1.00 0.00 O ATOM 0 H TYR B 26 -5.161 -5.063 -0.101 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.531 -3.036 1.463 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.690 -1.855 0.955 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.049 -3.308 0.213 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.729 -3.683 -2.338 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.929 0.076 -0.335 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.720 -2.522 -4.505 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -4.905 1.232 -2.497 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.089 1.010 -4.707 1.00 0.00 H new ATOM 720 N THR B 27 -7.800 -3.956 -1.204 1.00 0.00 N ATOM 721 CA THR B 27 -8.789 -3.780 -2.248 1.00 0.00 C ATOM 722 C THR B 27 -10.206 -3.677 -1.667 1.00 0.00 C ATOM 723 O THR B 27 -10.613 -2.606 -1.215 1.00 0.00 O ATOM 724 CB THR B 27 -8.635 -4.943 -3.243 1.00 0.00 C ATOM 725 OG1 THR B 27 -9.507 -6.020 -2.935 1.00 0.00 O ATOM 726 CG2 THR B 27 -7.216 -5.499 -3.268 1.00 0.00 C ATOM 0 H THR B 27 -7.575 -4.932 -1.010 1.00 0.00 H new ATOM 0 HA THR B 27 -8.626 -2.839 -2.773 1.00 0.00 H new ATOM 0 HB THR B 27 -8.884 -4.521 -4.217 1.00 0.00 H new ATOM 0 HG1 THR B 27 -9.382 -6.739 -3.589 1.00 0.00 H new ATOM 0 HG21 THR B 27 -7.159 -6.318 -3.985 1.00 0.00 H new ATOM 0 HG22 THR B 27 -6.522 -4.711 -3.560 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.952 -5.866 -2.276 1.00 0.00 H new ATOM 734 N LYS B 28 -10.953 -4.778 -1.673 1.00 0.00 N ATOM 735 CA LYS B 28 -12.313 -4.792 -1.141 1.00 0.00 C ATOM 736 C LYS B 28 -13.119 -3.587 -1.632 1.00 0.00 C ATOM 737 O LYS B 28 -13.721 -2.866 -0.836 1.00 0.00 O ATOM 738 CB LYS B 28 -12.271 -4.806 0.388 1.00 0.00 C ATOM 739 CG LYS B 28 -11.906 -6.159 0.976 1.00 0.00 C ATOM 740 CD LYS B 28 -11.761 -6.088 2.489 1.00 0.00 C ATOM 741 CE LYS B 28 -10.433 -6.671 2.955 1.00 0.00 C ATOM 742 NZ LYS B 28 -10.604 -7.567 4.131 1.00 0.00 N ATOM 0 H LYS B 28 -10.638 -5.675 -2.042 1.00 0.00 H new ATOM 0 HA LYS B 28 -12.808 -5.694 -1.501 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.549 -4.064 0.730 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -13.245 -4.503 0.772 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.673 -6.889 0.717 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.972 -6.508 0.536 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.837 -5.050 2.814 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.582 -6.630 2.959 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.974 -7.228 2.138 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.751 -5.861 3.212 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.678 -7.944 4.418 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.019 -7.030 4.919 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.235 -8.354 3.879 1.00 0.00 H new ATOM 756 N PRO B 29 -13.143 -3.355 -2.956 1.00 0.00 N ATOM 757 CA PRO B 29 -13.879 -2.234 -3.545 1.00 0.00 C ATOM 758 C PRO B 29 -15.381 -2.493 -3.602 1.00 0.00 C ATOM 759 O PRO B 29 -15.917 -2.875 -4.642 1.00 0.00 O ATOM 760 CB PRO B 29 -13.297 -2.143 -4.955 1.00 0.00 C ATOM 761 CG PRO B 29 -12.890 -3.537 -5.282 1.00 0.00 C ATOM 762 CD PRO B 29 -12.454 -4.162 -3.982 1.00 0.00 C ATOM 0 HA PRO B 29 -13.773 -1.319 -2.962 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -14.034 -1.768 -5.665 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.446 -1.463 -4.990 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -13.719 -4.092 -5.722 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -12.079 -3.545 -6.010 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.743 -5.212 -3.926 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -11.371 -4.122 -3.862 1.00 0.00 H new ATOM 770 N THR B 30 -16.055 -2.281 -2.475 1.00 0.00 N ATOM 771 CA THR B 30 -17.497 -2.492 -2.396 1.00 0.00 C ATOM 772 C THR B 30 -18.022 -2.140 -1.009 1.00 0.00 C ATOM 773 O THR B 30 -17.373 -1.325 -0.321 1.00 0.00 O ATOM 774 CB THR B 30 -17.844 -3.945 -2.730 1.00 0.00 C ATOM 775 OG1 THR B 30 -19.242 -4.156 -2.655 1.00 0.00 O ATOM 776 CG2 THR B 30 -17.177 -4.947 -1.812 1.00 0.00 C ATOM 777 OXT THR B 30 -19.079 -2.681 -0.624 1.00 0.00 O ATOM 0 H THR B 30 -15.627 -1.964 -1.605 1.00 0.00 H new ATOM 0 HA THR B 30 -17.973 -1.836 -3.125 1.00 0.00 H new ATOM 0 HB THR B 30 -17.475 -4.105 -3.743 1.00 0.00 H new ATOM 0 HG1 THR B 30 -19.579 -3.813 -1.801 1.00 0.00 H new ATOM 0 HG21 THR B 30 -17.466 -5.957 -2.104 1.00 0.00 H new ATOM 0 HG22 THR B 30 -16.094 -4.843 -1.886 1.00 0.00 H new ATOM 0 HG23 THR B 30 -17.490 -4.763 -0.784 1.00 0.00 H new TER 785 THR B 30