USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 379 hydrogens (14 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 26 NVA HD1 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA H2 : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD NoAdj-H: B 26 NVA H : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 136:sc= 0.00657 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0197 X(o=-0.02,f=-0.0034) USER MOD Single : A 8 THR OG1 : rot -36:sc= 0.33 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0937 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.229 K(o=-0.23,f=-0.99) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 19 TYR OH : rot -179:sc= 0.22 USER MOD Single : A 21 ASN : amide:sc= 0.0664 K(o=0.066,f=-2!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0673 X(o=-0.067,f=-0.42) USER MOD Single : B 4 GLN : amide:sc= 0.239 X(o=0.24,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.431 K(o=0.43,f=-1.5) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0645 USER MOD Single : B 10 HIS : no HD1:sc= -0.0506 X(o=-0.051,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -49:sc= 1.04 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.237 0.290 -0.760 1.00 25.00 N ATOM 2 CA GLY A 1 0.558 -0.539 -1.739 1.00 25.00 C ATOM 3 C GLY A 1 0.097 -0.398 -3.158 1.00 25.00 C ATOM 4 O GLY A 1 -1.062 -0.174 -3.419 1.00 25.00 O ATOM 0 H1 GLY A 1 -0.453 -0.280 0.083 1.00 25.00 H new ATOM 0 H2 GLY A 1 0.318 1.124 -0.481 1.00 25.00 H new ATOM 0 H3 GLY A 1 -1.125 0.598 -1.206 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.608 -0.252 -1.677 1.00 25.00 H new ATOM 0 HA3 GLY A 1 0.496 -1.588 -1.448 1.00 25.00 H new ATOM 9 N ILE A 2 1.043 -0.484 -4.087 1.00 25.00 N ATOM 10 CA ILE A 2 0.672 -0.198 -5.490 1.00 25.00 C ATOM 11 C ILE A 2 -0.250 -1.276 -6.078 1.00 25.00 C ATOM 12 O ILE A 2 -1.148 -1.013 -6.830 1.00 25.00 O ATOM 13 CB ILE A 2 1.981 -0.040 -6.345 1.00 25.00 C ATOM 14 CG1 ILE A 2 1.718 0.681 -7.690 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.687 -1.389 -6.616 1.00 25.00 C ATOM 16 CD1 ILE A 2 1.260 2.155 -7.529 1.00 25.00 C ATOM 0 H ILE A 2 2.018 -0.733 -3.923 1.00 25.00 H new ATOM 0 HA ILE A 2 0.106 0.733 -5.515 1.00 25.00 H new ATOM 0 HB ILE A 2 2.645 0.576 -5.738 1.00 25.00 H new ATOM 0 HG12 ILE A 2 2.628 0.656 -8.289 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.957 0.132 -8.244 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.584 -1.217 -7.211 1.00 25.00 H new ATOM 0 HG22 ILE A 2 2.963 -1.852 -5.669 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.012 -2.050 -7.160 1.00 25.00 H new ATOM 0 HD11 ILE A 2 1.095 2.594 -8.513 1.00 25.00 H new ATOM 0 HD12 ILE A 2 0.333 2.187 -6.957 1.00 25.00 H new ATOM 0 HD13 ILE A 2 2.030 2.720 -7.004 1.00 25.00 H new ATOM 28 N VAL A 3 -0.090 -2.527 -5.605 1.00 25.00 N ATOM 29 CA VAL A 3 -1.014 -3.608 -5.985 1.00 25.00 C ATOM 30 C VAL A 3 -2.459 -3.273 -5.514 1.00 25.00 C ATOM 31 O VAL A 3 -3.425 -3.428 -6.285 1.00 25.00 O ATOM 32 CB VAL A 3 -0.627 -5.007 -5.296 1.00 25.00 C ATOM 33 CG1 VAL A 3 -1.544 -6.113 -5.827 1.00 25.00 C ATOM 34 CG2 VAL A 3 0.841 -5.359 -5.606 1.00 25.00 C ATOM 0 H VAL A 3 0.657 -2.809 -4.970 1.00 25.00 H new ATOM 0 HA VAL A 3 -0.948 -3.695 -7.070 1.00 25.00 H new ATOM 0 HB VAL A 3 -0.752 -4.919 -4.217 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -1.280 -7.061 -5.358 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -2.581 -5.869 -5.594 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -1.425 -6.197 -6.907 1.00 25.00 H new ATOM 0 HG21 VAL A 3 1.095 -6.309 -5.135 1.00 25.00 H new ATOM 0 HG22 VAL A 3 0.975 -5.441 -6.685 1.00 25.00 H new ATOM 0 HG23 VAL A 3 1.493 -4.576 -5.218 1.00 25.00 H new ATOM 44 N GLU A 4 -2.595 -2.766 -4.311 1.00 25.00 N ATOM 45 CA GLU A 4 -3.906 -2.414 -3.756 1.00 25.00 C ATOM 46 C GLU A 4 -4.527 -1.309 -4.571 1.00 25.00 C ATOM 47 O GLU A 4 -5.715 -1.356 -4.908 1.00 25.00 O ATOM 48 CB GLU A 4 -3.732 -1.886 -2.340 1.00 25.00 C ATOM 49 CG GLU A 4 -4.533 -2.616 -1.304 1.00 25.00 C ATOM 50 CD GLU A 4 -4.409 -1.967 0.064 1.00 25.00 C ATOM 51 OE1 GLU A 4 -3.544 -1.201 0.355 1.00 25.00 O ATOM 52 OE2 GLU A 4 -5.332 -2.263 0.874 1.00 25.00 O ATOM 0 H GLU A 4 -1.813 -2.582 -3.683 1.00 25.00 H new ATOM 0 HA GLU A 4 -4.537 -3.303 -3.768 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.677 -1.942 -2.072 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -4.011 -0.832 -2.321 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -5.581 -2.637 -1.603 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.197 -3.651 -1.247 1.00 25.00 H new ATOM 60 N GLN A 5 -3.702 -0.366 -4.960 1.00 25.00 N ATOM 61 CA GLN A 5 -4.159 0.747 -5.741 1.00 25.00 C ATOM 62 C GLN A 5 -4.665 0.301 -7.069 1.00 25.00 C ATOM 63 O GLN A 5 -5.715 0.701 -7.488 1.00 25.00 O ATOM 64 CB GLN A 5 -3.057 1.771 -5.930 1.00 25.00 C ATOM 65 CG GLN A 5 -2.695 2.534 -4.646 1.00 25.00 C ATOM 66 CD GLN A 5 -1.446 3.321 -4.837 1.00 25.00 C ATOM 67 OE1 GLN A 5 -1.292 4.068 -5.776 1.00 25.00 O ATOM 68 NE2 GLN A 5 -0.550 3.164 -3.914 1.00 25.00 N ATOM 0 H GLN A 5 -2.705 -0.352 -4.744 1.00 25.00 H new ATOM 0 HA GLN A 5 -4.979 1.212 -5.193 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.166 1.268 -6.306 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -3.365 2.486 -6.693 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -3.512 3.200 -4.370 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.566 1.831 -3.823 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -0.722 2.523 -3.140 1.00 25.00 H new ATOM 0 HE22 GLN A 5 0.328 3.682 -3.962 1.00 25.00 H new ATOM 77 N CYS A 6 -3.914 -0.610 -7.690 1.00 25.00 N ATOM 78 CA CYS A 6 -4.268 -1.127 -9.014 1.00 25.00 C ATOM 79 C CYS A 6 -5.453 -2.131 -8.957 1.00 25.00 C ATOM 80 O CYS A 6 -6.082 -2.457 -9.939 1.00 25.00 O ATOM 81 CB CYS A 6 -3.074 -1.831 -9.619 1.00 25.00 C ATOM 82 SG CYS A 6 -2.785 -1.514 -11.401 1.00 25.00 S ATOM 0 H CYS A 6 -3.059 -1.005 -7.299 1.00 25.00 H new ATOM 0 HA CYS A 6 -4.570 -0.274 -9.622 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -2.182 -1.535 -9.067 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -3.197 -2.904 -9.475 1.00 25.00 H new ATOM 87 N CYS A 7 -5.732 -2.616 -7.755 1.00 25.00 N ATOM 88 CA CYS A 7 -6.842 -3.529 -7.501 1.00 25.00 C ATOM 89 C CYS A 7 -8.138 -2.754 -7.266 1.00 25.00 C ATOM 90 O CYS A 7 -9.177 -3.102 -7.822 1.00 25.00 O ATOM 91 CB CYS A 7 -6.536 -4.487 -6.300 1.00 25.00 C ATOM 92 SG CYS A 7 -7.769 -5.847 -6.149 1.00 25.00 S ATOM 0 H CYS A 7 -5.191 -2.386 -6.921 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.970 -4.149 -8.389 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -5.541 -4.915 -6.425 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -6.521 -3.911 -5.375 1.00 25.00 H new ATOM 97 N THR A 8 -8.094 -1.669 -6.499 1.00 25.00 N ATOM 98 CA THR A 8 -9.279 -0.843 -6.272 1.00 25.00 C ATOM 99 C THR A 8 -9.546 0.238 -7.339 1.00 25.00 C ATOM 100 O THR A 8 -10.641 0.769 -7.416 1.00 25.00 O ATOM 101 CB THR A 8 -9.231 -0.179 -4.876 1.00 25.00 C ATOM 102 OG1 THR A 8 -10.544 0.411 -4.623 1.00 25.00 O ATOM 103 CG2 THR A 8 -8.193 0.884 -4.763 1.00 25.00 C ATOM 0 H THR A 8 -7.253 -1.340 -6.024 1.00 25.00 H new ATOM 0 HA THR A 8 -10.110 -1.546 -6.341 1.00 25.00 H new ATOM 0 HB THR A 8 -8.971 -0.946 -4.147 1.00 25.00 H new ATOM 0 HG1 THR A 8 -10.909 0.768 -5.460 1.00 25.00 H new ATOM 0 HG21 THR A 8 -8.214 1.308 -3.759 1.00 25.00 H new ATOM 0 HG22 THR A 8 -7.210 0.454 -4.955 1.00 25.00 H new ATOM 0 HG23 THR A 8 -8.395 1.669 -5.492 1.00 25.00 H new ATOM 111 N SER A 9 -8.511 0.634 -8.100 1.00 25.00 N ATOM 112 CA SER A 9 -8.581 1.687 -9.165 1.00 25.00 C ATOM 113 C SER A 9 -7.937 1.071 -10.385 1.00 25.00 C ATOM 114 O SER A 9 -7.594 -0.076 -10.329 1.00 25.00 O ATOM 115 CB SER A 9 -7.815 2.914 -8.761 1.00 25.00 C ATOM 116 OG SER A 9 -7.926 3.982 -9.695 1.00 25.00 O ATOM 0 H SER A 9 -7.579 0.232 -8.002 1.00 25.00 H new ATOM 0 HA SER A 9 -9.611 1.994 -9.345 1.00 25.00 H new ATOM 0 HB2 SER A 9 -8.172 3.253 -7.789 1.00 25.00 H new ATOM 0 HB3 SER A 9 -6.763 2.654 -8.641 1.00 25.00 H new ATOM 0 HG SER A 9 -7.408 4.751 -9.376 1.00 25.00 H new ATOM 122 N ILE A 10 -7.809 1.789 -11.481 1.00 25.00 N ATOM 123 CA ILE A 10 -7.212 1.209 -12.676 1.00 25.00 C ATOM 124 C ILE A 10 -5.937 1.963 -13.092 1.00 25.00 C ATOM 125 O ILE A 10 -5.911 3.197 -13.217 1.00 25.00 O ATOM 126 CB ILE A 10 -8.234 1.204 -13.868 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.455 0.327 -13.511 1.00 25.00 C ATOM 128 CG2 ILE A 10 -7.587 0.692 -15.147 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.651 0.434 -14.428 1.00 25.00 C ATOM 0 H ILE A 10 -8.104 2.761 -11.574 1.00 25.00 H new ATOM 0 HA ILE A 10 -6.942 0.181 -12.433 1.00 25.00 H new ATOM 0 HB ILE A 10 -8.560 2.230 -14.039 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -9.133 -0.714 -13.490 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -9.775 0.582 -12.501 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -8.320 0.700 -15.954 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -6.747 1.334 -15.412 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -7.230 -0.326 -14.992 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.441 -0.228 -14.074 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -11.014 1.462 -14.434 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.362 0.145 -15.438 1.00 25.00 H new ATOM 141 N CYS A 11 -4.898 1.193 -13.305 1.00 25.00 N ATOM 142 CA CYS A 11 -3.629 1.697 -13.778 1.00 25.00 C ATOM 143 C CYS A 11 -3.636 1.830 -15.289 1.00 25.00 C ATOM 144 O CYS A 11 -3.759 0.830 -15.953 1.00 25.00 O ATOM 145 CB CYS A 11 -2.487 0.738 -13.363 1.00 25.00 C ATOM 146 SG CYS A 11 -2.461 0.469 -11.570 1.00 25.00 S ATOM 0 H CYS A 11 -4.909 0.184 -13.153 1.00 25.00 H new ATOM 0 HA CYS A 11 -3.467 2.678 -13.332 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -2.610 -0.217 -13.873 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -1.530 1.150 -13.684 1.00 25.00 H new ATOM 151 N SER A 12 -3.505 3.021 -15.830 1.00 25.00 N ATOM 152 CA SER A 12 -3.495 3.241 -17.283 1.00 25.00 C ATOM 153 C SER A 12 -2.173 2.755 -17.855 1.00 25.00 C ATOM 154 O SER A 12 -1.231 2.402 -17.146 1.00 25.00 O ATOM 155 CB SER A 12 -3.596 4.749 -17.542 1.00 25.00 C ATOM 156 OG SER A 12 -4.165 5.426 -16.437 1.00 25.00 O ATOM 0 H SER A 12 -3.401 3.876 -15.283 1.00 25.00 H new ATOM 0 HA SER A 12 -4.325 2.706 -17.745 1.00 25.00 H new ATOM 0 HB2 SER A 12 -2.604 5.152 -17.746 1.00 25.00 H new ATOM 0 HB3 SER A 12 -4.201 4.927 -18.431 1.00 25.00 H new ATOM 0 HG SER A 12 -4.215 6.385 -16.631 1.00 25.00 H new ATOM 162 N LEU A 13 -2.093 2.820 -19.182 1.00 25.00 N ATOM 163 CA LEU A 13 -0.875 2.416 -19.883 1.00 25.00 C ATOM 164 C LEU A 13 0.375 3.155 -19.335 1.00 25.00 C ATOM 165 O LEU A 13 1.390 2.560 -19.092 1.00 25.00 O ATOM 166 CB LEU A 13 -0.954 2.744 -21.393 1.00 25.00 C ATOM 167 CG LEU A 13 -1.758 1.771 -22.226 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.995 2.410 -23.602 1.00 25.00 C ATOM 169 CD2 LEU A 13 -1.090 0.431 -22.395 1.00 25.00 C ATOM 0 H LEU A 13 -2.847 3.144 -19.788 1.00 25.00 H new ATOM 0 HA LEU A 13 -0.787 1.341 -19.723 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -1.385 3.738 -21.510 1.00 25.00 H new ATOM 0 HB3 LEU A 13 0.059 2.787 -21.792 1.00 25.00 H new ATOM 0 HG LEU A 13 -2.695 1.577 -21.704 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.574 1.728 -24.225 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -2.543 3.344 -23.480 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -1.036 2.612 -24.079 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.722 -0.217 -23.003 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -0.127 0.564 -22.888 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.937 -0.025 -21.417 1.00 25.00 H new ATOM 181 N TYR A 14 0.261 4.454 -19.112 1.00 25.00 N ATOM 182 CA TYR A 14 1.365 5.252 -18.635 1.00 25.00 C ATOM 183 C TYR A 14 1.765 4.903 -17.187 1.00 25.00 C ATOM 184 O TYR A 14 2.931 4.968 -16.811 1.00 25.00 O ATOM 185 CB TYR A 14 1.017 6.717 -18.703 1.00 25.00 C ATOM 186 CG TYR A 14 -0.131 7.002 -19.689 1.00 25.00 C ATOM 187 CD1 TYR A 14 0.111 7.037 -21.068 1.00 25.00 C ATOM 188 CD2 TYR A 14 -1.443 7.215 -19.218 1.00 25.00 C ATOM 189 CE1 TYR A 14 -0.955 7.258 -21.974 1.00 25.00 C ATOM 190 CE2 TYR A 14 -2.533 7.420 -20.135 1.00 25.00 C ATOM 191 CZ TYR A 14 -2.250 7.457 -21.498 1.00 25.00 C ATOM 192 OH TYR A 14 -3.248 7.679 -22.417 1.00 25.00 O ATOM 0 H TYR A 14 -0.601 4.979 -19.258 1.00 25.00 H new ATOM 0 HA TYR A 14 2.213 5.030 -19.283 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.735 7.067 -17.710 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.899 7.284 -19.002 1.00 25.00 H new ATOM 0 HD1 TYR A 14 1.114 6.895 -21.442 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -1.632 7.224 -18.155 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -0.764 7.272 -23.037 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -3.544 7.542 -19.775 1.00 25.00 H new ATOM 0 HH TYR A 14 -4.101 7.801 -21.950 1.00 25.00 H new ATOM 202 N GLN A 15 0.761 4.484 -16.403 1.00 25.00 N ATOM 203 CA GLN A 15 0.975 4.180 -15.012 1.00 25.00 C ATOM 204 C GLN A 15 1.745 2.892 -14.912 1.00 25.00 C ATOM 205 O GLN A 15 2.591 2.721 -14.076 1.00 25.00 O ATOM 206 CB GLN A 15 -0.332 4.079 -14.276 1.00 25.00 C ATOM 207 CG GLN A 15 -1.196 5.364 -14.270 1.00 25.00 C ATOM 208 CD GLN A 15 -0.521 6.498 -13.564 1.00 25.00 C ATOM 209 OE1 GLN A 15 0.400 7.063 -14.100 1.00 25.00 O ATOM 210 NE2 GLN A 15 -0.946 6.823 -12.372 1.00 25.00 N ATOM 0 H GLN A 15 -0.199 4.353 -16.723 1.00 25.00 H new ATOM 0 HA GLN A 15 1.546 4.985 -14.549 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -0.916 3.272 -14.718 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -0.127 3.796 -13.244 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -1.415 5.657 -15.297 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -2.151 5.155 -13.788 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -1.729 6.319 -11.955 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -0.495 7.580 -11.859 1.00 25.00 H new ATOM 219 N LEU A 16 1.472 1.984 -15.827 1.00 25.00 N ATOM 220 CA LEU A 16 2.164 0.695 -15.852 1.00 25.00 C ATOM 221 C LEU A 16 3.584 0.865 -16.391 1.00 25.00 C ATOM 222 O LEU A 16 4.536 0.228 -15.954 1.00 25.00 O ATOM 223 CB LEU A 16 1.362 -0.256 -16.755 1.00 25.00 C ATOM 224 CG LEU A 16 -0.038 -0.684 -16.248 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.704 -1.483 -17.353 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.035 -1.505 -14.965 1.00 25.00 C ATOM 0 H LEU A 16 0.779 2.107 -16.565 1.00 25.00 H new ATOM 0 HA LEU A 16 2.236 0.287 -14.844 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.240 0.221 -17.728 1.00 25.00 H new ATOM 0 HB3 LEU A 16 1.956 -1.156 -16.913 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.617 0.207 -16.006 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.694 -1.800 -17.026 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.797 -0.863 -18.245 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.100 -2.361 -17.583 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.972 -1.780 -14.651 1.00 25.00 H new ATOM 0 HD22 LEU A 16 0.619 -2.408 -15.144 1.00 25.00 H new ATOM 0 HD23 LEU A 16 0.510 -0.915 -14.182 1.00 25.00 H new ATOM 238 N GLU A 17 3.711 1.761 -17.353 1.00 25.00 N ATOM 239 CA GLU A 17 5.016 2.070 -17.937 1.00 25.00 C ATOM 240 C GLU A 17 5.933 2.749 -16.898 1.00 25.00 C ATOM 241 O GLU A 17 7.116 2.461 -16.920 1.00 25.00 O ATOM 242 CB GLU A 17 4.838 3.007 -19.162 1.00 25.00 C ATOM 243 CG GLU A 17 4.447 2.256 -20.438 1.00 25.00 C ATOM 244 CD GLU A 17 5.612 1.536 -21.057 1.00 25.00 C ATOM 245 OE1 GLU A 17 6.717 1.598 -20.681 1.00 25.00 O ATOM 246 OE2 GLU A 17 5.301 0.829 -22.083 1.00 25.00 O ATOM 0 H GLU A 17 2.933 2.289 -17.749 1.00 25.00 H new ATOM 0 HA GLU A 17 5.479 1.136 -18.255 1.00 25.00 H new ATOM 0 HB2 GLU A 17 4.074 3.750 -18.936 1.00 25.00 H new ATOM 0 HB3 GLU A 17 5.768 3.549 -19.336 1.00 25.00 H new ATOM 0 HG2 GLU A 17 3.660 1.538 -20.207 1.00 25.00 H new ATOM 0 HG3 GLU A 17 4.034 2.961 -21.159 1.00 25.00 H new ATOM 254 N ASN A 18 5.393 3.506 -15.956 1.00 25.00 N ATOM 255 CA ASN A 18 6.200 4.079 -14.867 1.00 25.00 C ATOM 256 C ASN A 18 6.684 3.027 -13.846 1.00 25.00 C ATOM 257 O ASN A 18 7.612 3.307 -13.098 1.00 25.00 O ATOM 258 CB ASN A 18 5.322 5.089 -14.081 1.00 25.00 C ATOM 259 CG ASN A 18 5.099 6.417 -14.829 1.00 25.00 C ATOM 260 OD1 ASN A 18 6.018 6.939 -15.448 1.00 25.00 O ATOM 261 ND2 ASN A 18 3.917 7.014 -14.752 1.00 25.00 N ATOM 0 H ASN A 18 4.402 3.743 -15.915 1.00 25.00 H new ATOM 0 HA ASN A 18 7.072 4.537 -15.333 1.00 25.00 H new ATOM 0 HB2 ASN A 18 4.355 4.632 -13.871 1.00 25.00 H new ATOM 0 HB3 ASN A 18 5.792 5.296 -13.120 1.00 25.00 H new ATOM 0 HD21 ASN A 18 3.769 7.913 -15.210 1.00 25.00 H new ATOM 0 HD22 ASN A 18 3.156 6.574 -14.235 1.00 25.00 H new ATOM 268 N TYR A 19 6.053 1.866 -13.831 1.00 25.00 N ATOM 269 CA TYR A 19 6.453 0.818 -12.907 1.00 25.00 C ATOM 270 C TYR A 19 7.532 -0.082 -13.484 1.00 25.00 C ATOM 271 O TYR A 19 8.340 -0.645 -12.711 1.00 25.00 O ATOM 272 CB TYR A 19 5.295 -0.088 -12.538 1.00 25.00 C ATOM 273 CG TYR A 19 4.008 0.589 -12.028 1.00 25.00 C ATOM 274 CD1 TYR A 19 4.021 1.824 -11.394 1.00 25.00 C ATOM 275 CD2 TYR A 19 2.776 -0.091 -12.211 1.00 25.00 C ATOM 276 CE1 TYR A 19 2.803 2.422 -10.998 1.00 25.00 C ATOM 277 CE2 TYR A 19 1.570 0.532 -11.834 1.00 25.00 C ATOM 278 CZ TYR A 19 1.586 1.774 -11.232 1.00 25.00 C ATOM 279 OH TYR A 19 0.395 2.327 -10.864 1.00 25.00 O ATOM 0 H TYR A 19 5.271 1.626 -14.440 1.00 25.00 H new ATOM 0 HA TYR A 19 6.826 1.350 -12.032 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.039 -0.684 -13.414 1.00 25.00 H new ATOM 0 HB3 TYR A 19 5.639 -0.781 -11.771 1.00 25.00 H new ATOM 0 HD1 TYR A 19 4.958 2.326 -11.204 1.00 25.00 H new ATOM 0 HD2 TYR A 19 2.763 -1.083 -12.638 1.00 25.00 H new ATOM 0 HE1 TYR A 19 2.812 3.386 -10.511 1.00 25.00 H new ATOM 0 HE2 TYR A 19 0.629 0.035 -12.017 1.00 25.00 H new ATOM 0 HH TYR A 19 -0.335 1.717 -11.099 1.00 25.00 H new ATOM 289 N CYS A 20 7.555 -0.201 -14.805 1.00 25.00 N ATOM 290 CA CYS A 20 8.612 -0.913 -15.509 1.00 25.00 C ATOM 291 C CYS A 20 9.760 0.010 -15.884 1.00 25.00 C ATOM 292 O CYS A 20 9.781 1.181 -15.588 1.00 25.00 O ATOM 293 CB CYS A 20 8.099 -1.628 -16.747 1.00 25.00 C ATOM 294 SG CYS A 20 7.998 -0.558 -18.257 1.00 25.00 S ATOM 0 H CYS A 20 6.841 0.193 -15.418 1.00 25.00 H new ATOM 0 HA CYS A 20 8.983 -1.666 -14.813 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.751 -2.476 -16.959 1.00 25.00 H new ATOM 0 HB3 CYS A 20 7.109 -2.032 -16.535 1.00 25.00 H new ATOM 299 N ASN A 21 10.811 -0.572 -16.494 1.00 25.00 N ATOM 300 CA ASN A 21 11.982 0.190 -16.911 1.00 25.00 C ATOM 301 C ASN A 21 11.607 1.134 -18.059 1.00 25.00 C ATOM 302 O ASN A 21 11.195 0.772 -19.168 1.00 25.00 O ATOM 303 CB ASN A 21 13.116 -0.741 -17.379 1.00 25.00 C ATOM 304 CG ASN A 21 14.437 -0.123 -17.137 1.00 25.00 C ATOM 305 OD1 ASN A 21 14.833 0.856 -17.711 1.00 25.00 O ATOM 306 ND2 ASN A 21 15.208 -0.715 -16.247 1.00 25.00 N ATOM 307 OXT ASN A 21 11.882 2.402 -17.834 1.00 25.00 O ATOM 0 H ASN A 21 10.863 -1.569 -16.705 1.00 25.00 H new ATOM 0 HA ASN A 21 12.331 0.763 -16.052 1.00 25.00 H new ATOM 0 HB2 ASN A 21 13.053 -1.692 -16.851 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.000 -0.957 -18.441 1.00 25.00 H new ATOM 0 HD21 ASN A 21 16.136 -0.342 -16.048 1.00 25.00 H new ATOM 0 HD22 ASN A 21 14.876 -1.546 -15.757 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -6.017 -0.671 -26.023 1.00 25.00 N ATOM 317 CA PHE B 1 -5.961 -1.126 -24.594 1.00 25.00 C ATOM 318 C PHE B 1 -7.250 -0.900 -23.836 1.00 25.00 C ATOM 319 O PHE B 1 -7.953 0.101 -24.005 1.00 25.00 O ATOM 320 CB PHE B 1 -4.822 -0.357 -23.879 1.00 25.00 C ATOM 321 CG PHE B 1 -4.562 -0.759 -22.410 1.00 25.00 C ATOM 322 CD1 PHE B 1 -5.272 -0.158 -21.329 1.00 25.00 C ATOM 323 CD2 PHE B 1 -3.545 -1.674 -22.105 1.00 25.00 C ATOM 324 CE1 PHE B 1 -4.983 -0.518 -20.015 1.00 25.00 C ATOM 325 CE2 PHE B 1 -3.259 -2.016 -20.780 1.00 25.00 C ATOM 326 CZ PHE B 1 -3.967 -1.425 -19.741 1.00 25.00 C ATOM 0 H1 PHE B 1 -5.102 -0.855 -26.482 1.00 25.00 H new ATOM 0 H2 PHE B 1 -6.766 -1.190 -26.523 1.00 25.00 H new ATOM 0 H3 PHE B 1 -6.221 0.348 -26.055 1.00 25.00 H new ATOM 0 HA PHE B 1 -5.786 -2.202 -24.606 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -3.901 -0.500 -24.444 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -5.052 0.708 -23.910 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -6.036 0.578 -21.530 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -2.974 -2.121 -22.905 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -5.553 -0.089 -19.204 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -2.487 -2.740 -20.564 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.727 -1.671 -18.717 1.00 25.00 H new ATOM 337 N VAL B 2 -7.561 -1.929 -23.030 1.00 25.00 N ATOM 338 CA VAL B 2 -8.807 -1.970 -22.231 1.00 25.00 C ATOM 339 C VAL B 2 -8.503 -1.778 -20.772 1.00 25.00 C ATOM 340 O VAL B 2 -7.689 -2.509 -20.181 1.00 25.00 O ATOM 341 CB VAL B 2 -9.604 -3.313 -22.453 1.00 25.00 C ATOM 342 CG1 VAL B 2 -10.899 -3.313 -21.640 1.00 25.00 C ATOM 343 CG2 VAL B 2 -9.906 -3.533 -23.978 1.00 25.00 C ATOM 0 H VAL B 2 -6.966 -2.749 -22.911 1.00 25.00 H new ATOM 0 HA VAL B 2 -9.440 -1.151 -22.573 1.00 25.00 H new ATOM 0 HB VAL B 2 -8.984 -4.139 -22.106 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -11.434 -4.248 -21.807 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -10.663 -3.214 -20.580 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -11.524 -2.477 -21.952 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -10.456 -4.465 -24.109 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -10.504 -2.703 -24.354 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -8.968 -3.585 -24.531 1.00 25.00 H new ATOM 353 N ASN B 3 -9.127 -0.768 -20.211 1.00 25.00 N ATOM 354 CA ASN B 3 -8.898 -0.381 -18.847 1.00 25.00 C ATOM 355 C ASN B 3 -9.665 -1.453 -18.056 1.00 25.00 C ATOM 356 O ASN B 3 -10.852 -1.689 -18.316 1.00 25.00 O ATOM 357 CB ASN B 3 -9.423 1.036 -18.617 1.00 25.00 C ATOM 358 CG ASN B 3 -8.382 2.119 -18.939 1.00 25.00 C ATOM 359 OD1 ASN B 3 -7.215 2.037 -18.537 1.00 25.00 O ATOM 360 ND2 ASN B 3 -8.790 3.093 -19.728 1.00 25.00 N ATOM 0 H ASN B 3 -9.813 -0.190 -20.697 1.00 25.00 H new ATOM 0 HA ASN B 3 -7.850 -0.339 -18.549 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -10.308 1.195 -19.234 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -9.736 1.138 -17.578 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -8.134 3.814 -20.029 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -9.761 3.125 -20.038 1.00 25.00 H new ATOM 367 N GLN B 4 -8.990 -2.037 -17.080 1.00 25.00 N ATOM 368 CA GLN B 4 -9.576 -3.059 -16.213 1.00 25.00 C ATOM 369 C GLN B 4 -8.725 -3.098 -14.931 1.00 25.00 C ATOM 370 O GLN B 4 -7.647 -2.607 -14.884 1.00 25.00 O ATOM 371 CB GLN B 4 -9.543 -4.419 -16.922 1.00 25.00 C ATOM 372 CG GLN B 4 -8.142 -4.846 -17.391 1.00 25.00 C ATOM 373 CD GLN B 4 -8.163 -5.938 -18.438 1.00 25.00 C ATOM 374 OE1 GLN B 4 -8.431 -7.087 -18.165 1.00 25.00 O ATOM 375 NE2 GLN B 4 -7.848 -5.591 -19.647 1.00 25.00 N ATOM 0 H GLN B 4 -8.018 -1.819 -16.862 1.00 25.00 H new ATOM 0 HA GLN B 4 -10.615 -2.832 -15.976 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -9.936 -5.179 -16.247 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -10.209 -4.384 -17.784 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -7.622 -3.977 -17.794 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -7.568 -5.190 -16.530 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -7.626 -4.618 -19.857 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -7.823 -6.291 -20.388 1.00 25.00 H new ATOM 384 N HIS B 5 -9.294 -3.635 -13.866 1.00 25.00 N ATOM 385 CA HIS B 5 -8.582 -3.704 -12.585 1.00 25.00 C ATOM 386 C HIS B 5 -7.587 -4.850 -12.585 1.00 25.00 C ATOM 387 O HIS B 5 -7.803 -5.885 -13.194 1.00 25.00 O ATOM 388 CB HIS B 5 -9.584 -3.909 -11.434 1.00 25.00 C ATOM 389 CG HIS B 5 -10.457 -2.731 -11.176 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.027 -1.596 -10.491 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.769 -2.480 -11.477 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.057 -0.738 -10.369 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.119 -1.256 -10.959 1.00 25.00 N ATOM 0 H HIS B 5 -10.235 -4.028 -13.853 1.00 25.00 H new ATOM 0 HA HIS B 5 -8.046 -2.765 -12.445 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.211 -4.771 -11.661 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -9.033 -4.147 -10.524 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.083 -1.440 -10.138 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.423 -3.137 -12.031 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.021 0.219 -9.870 1.00 25.00 H new ATOM 402 N LEU B 6 -6.488 -4.677 -11.890 1.00 25.00 N ATOM 403 CA LEU B 6 -5.450 -5.695 -11.820 1.00 25.00 C ATOM 404 C LEU B 6 -5.208 -6.011 -10.333 1.00 25.00 C ATOM 405 O LEU B 6 -4.952 -5.090 -9.572 1.00 25.00 O ATOM 406 CB LEU B 6 -4.143 -5.198 -12.469 1.00 25.00 C ATOM 407 CG LEU B 6 -3.976 -4.918 -14.000 1.00 25.00 C ATOM 408 CD1 LEU B 6 -4.814 -5.919 -14.900 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.336 -3.474 -14.369 1.00 25.00 C ATOM 0 H LEU B 6 -6.282 -3.832 -11.357 1.00 25.00 H new ATOM 0 HA LEU B 6 -5.768 -6.586 -12.362 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.885 -4.269 -11.960 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -3.377 -5.928 -12.208 1.00 25.00 H new ATOM 0 HG LEU B 6 -2.918 -5.078 -14.207 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -4.660 -5.678 -15.952 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -4.486 -6.941 -14.710 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -5.873 -5.827 -14.658 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -4.204 -3.329 -15.441 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -5.374 -3.278 -14.101 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -3.686 -2.787 -13.827 1.00 25.00 H new ATOM 421 N CYS B 7 -5.364 -7.260 -9.894 1.00 25.00 N ATOM 422 CA CYS B 7 -5.119 -7.627 -8.488 1.00 25.00 C ATOM 423 C CYS B 7 -4.169 -8.821 -8.435 1.00 25.00 C ATOM 424 O CYS B 7 -4.166 -9.636 -9.337 1.00 25.00 O ATOM 425 CB CYS B 7 -6.425 -8.036 -7.822 1.00 25.00 C ATOM 426 SG CYS B 7 -7.723 -6.790 -7.917 1.00 25.00 S ATOM 0 H CYS B 7 -5.658 -8.037 -10.486 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.689 -6.769 -7.972 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -6.784 -8.955 -8.285 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -6.230 -8.263 -6.774 1.00 25.00 H new ATOM 431 N GLY B 8 -3.422 -8.968 -7.371 1.00 25.00 N ATOM 432 CA GLY B 8 -2.532 -10.140 -7.242 1.00 25.00 C ATOM 433 C GLY B 8 -1.558 -10.193 -8.417 1.00 25.00 C ATOM 434 O GLY B 8 -1.151 -9.136 -8.907 1.00 25.00 O ATOM 0 H GLY B 8 -3.396 -8.317 -6.586 1.00 25.00 H new ATOM 0 HA2 GLY B 8 -1.979 -10.085 -6.304 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -3.125 -11.054 -7.210 1.00 25.00 H new ATOM 438 N SER B 9 -1.297 -11.386 -8.925 1.00 25.00 N ATOM 439 CA SER B 9 -0.414 -11.617 -10.069 1.00 25.00 C ATOM 440 C SER B 9 -0.818 -10.932 -11.380 1.00 25.00 C ATOM 441 O SER B 9 -0.086 -10.964 -12.344 1.00 25.00 O ATOM 442 CB SER B 9 -0.348 -13.102 -10.313 1.00 25.00 C ATOM 443 OG SER B 9 -0.345 -13.812 -9.067 1.00 25.00 O ATOM 0 H SER B 9 -1.700 -12.244 -8.549 1.00 25.00 H new ATOM 0 HA SER B 9 0.543 -11.174 -9.795 1.00 25.00 H new ATOM 0 HB2 SER B 9 -1.200 -13.416 -10.916 1.00 25.00 H new ATOM 0 HB3 SER B 9 0.551 -13.345 -10.880 1.00 25.00 H new ATOM 0 HG SER B 9 -0.304 -14.776 -9.240 1.00 25.00 H new ATOM 449 N HIS B 10 -1.989 -10.335 -11.459 1.00 25.00 N ATOM 450 CA HIS B 10 -2.331 -9.639 -12.686 1.00 25.00 C ATOM 451 C HIS B 10 -1.453 -8.441 -12.893 1.00 25.00 C ATOM 452 O HIS B 10 -1.361 -8.001 -14.067 1.00 25.00 O ATOM 453 CB HIS B 10 -3.787 -9.288 -12.755 1.00 25.00 C ATOM 454 CG HIS B 10 -4.628 -10.443 -13.202 1.00 25.00 C ATOM 455 ND1 HIS B 10 -5.867 -10.286 -13.834 1.00 25.00 N ATOM 456 CD2 HIS B 10 -4.415 -11.794 -13.193 1.00 25.00 C ATOM 457 CE1 HIS B 10 -6.344 -11.477 -14.153 1.00 25.00 C ATOM 458 NE2 HIS B 10 -5.467 -12.387 -13.794 1.00 25.00 N ATOM 0 H HIS B 10 -2.695 -10.314 -10.723 1.00 25.00 H new ATOM 0 HA HIS B 10 -2.144 -10.328 -13.509 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -4.125 -8.953 -11.774 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -3.925 -8.453 -13.442 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -3.555 -12.298 -12.777 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -7.294 -11.669 -14.629 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -5.567 -13.391 -13.947 1.00 25.00 H new ATOM 467 N LEU B 11 -0.822 -7.944 -11.837 1.00 25.00 N ATOM 468 CA LEU B 11 0.045 -6.806 -12.011 1.00 25.00 C ATOM 469 C LEU B 11 1.229 -7.228 -12.862 1.00 25.00 C ATOM 470 O LEU B 11 1.558 -6.589 -13.852 1.00 25.00 O ATOM 471 CB LEU B 11 0.601 -6.301 -10.642 1.00 25.00 C ATOM 472 CG LEU B 11 -0.040 -5.096 -9.918 1.00 25.00 C ATOM 473 CD1 LEU B 11 0.218 -3.744 -10.662 1.00 25.00 C ATOM 474 CD2 LEU B 11 -1.485 -5.262 -9.678 1.00 25.00 C ATOM 0 H LEU B 11 -0.895 -8.302 -10.885 1.00 25.00 H new ATOM 0 HA LEU B 11 -0.529 -6.007 -12.480 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.564 -7.144 -9.952 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.653 -6.059 -10.794 1.00 25.00 H new ATOM 0 HG LEU B 11 0.457 -5.061 -8.948 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -0.254 -2.930 -10.111 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.291 -3.564 -10.728 1.00 25.00 H new ATOM 0 HD13 LEU B 11 -0.203 -3.795 -11.666 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -1.872 -4.381 -9.167 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -2.000 -5.385 -10.631 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -1.652 -6.144 -9.059 1.00 25.00 H new ATOM 486 N VAL B 12 1.890 -8.290 -12.427 1.00 25.00 N ATOM 487 CA VAL B 12 3.129 -8.661 -13.077 1.00 25.00 C ATOM 488 C VAL B 12 2.849 -9.100 -14.486 1.00 25.00 C ATOM 489 O VAL B 12 3.687 -8.810 -15.403 1.00 25.00 O ATOM 490 CB VAL B 12 3.939 -9.763 -12.288 1.00 25.00 C ATOM 491 CG1 VAL B 12 4.382 -9.190 -10.893 1.00 25.00 C ATOM 492 CG2 VAL B 12 3.116 -11.029 -12.072 1.00 25.00 C ATOM 0 H VAL B 12 1.600 -8.889 -11.654 1.00 25.00 H new ATOM 0 HA VAL B 12 3.767 -7.777 -13.090 1.00 25.00 H new ATOM 0 HB VAL B 12 4.811 -10.026 -12.887 1.00 25.00 H new ATOM 0 HG11 VAL B 12 4.941 -9.951 -10.348 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.013 -8.314 -11.043 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.500 -8.908 -10.319 1.00 25.00 H new ATOM 0 HG21 VAL B 12 3.711 -11.761 -11.526 1.00 25.00 H new ATOM 0 HG22 VAL B 12 2.221 -10.788 -11.498 1.00 25.00 H new ATOM 0 HG23 VAL B 12 2.827 -11.444 -13.037 1.00 25.00 H new ATOM 502 N GLU B 13 1.678 -9.692 -14.682 1.00 25.00 N ATOM 503 CA GLU B 13 1.251 -10.064 -15.992 1.00 25.00 C ATOM 504 C GLU B 13 1.024 -8.847 -16.922 1.00 25.00 C ATOM 505 O GLU B 13 1.426 -8.863 -18.075 1.00 25.00 O ATOM 506 CB GLU B 13 -0.052 -10.820 -15.905 1.00 25.00 C ATOM 507 CG GLU B 13 0.114 -12.224 -15.399 1.00 25.00 C ATOM 508 CD GLU B 13 -1.197 -12.912 -15.204 1.00 25.00 C ATOM 509 OE1 GLU B 13 -2.241 -12.375 -15.287 1.00 25.00 O ATOM 510 OE2 GLU B 13 -1.064 -14.155 -14.945 1.00 25.00 O ATOM 0 H GLU B 13 1.018 -9.918 -13.938 1.00 25.00 H new ATOM 0 HA GLU B 13 2.049 -10.676 -16.413 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -0.734 -10.281 -15.247 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -0.515 -10.848 -16.891 1.00 25.00 H new ATOM 0 HG2 GLU B 13 0.720 -12.793 -16.104 1.00 25.00 H new ATOM 0 HG3 GLU B 13 0.657 -12.206 -14.454 1.00 25.00 H new ATOM 518 N ALA B 14 0.350 -7.818 -16.424 1.00 25.00 N ATOM 519 CA ALA B 14 0.115 -6.604 -17.201 1.00 25.00 C ATOM 520 C ALA B 14 1.430 -5.956 -17.616 1.00 25.00 C ATOM 521 O ALA B 14 1.591 -5.544 -18.737 1.00 25.00 O ATOM 522 CB ALA B 14 -0.703 -5.626 -16.361 1.00 25.00 C ATOM 0 H ALA B 14 -0.045 -7.798 -15.484 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.431 -6.866 -18.107 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.883 -4.716 -16.934 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -1.657 -6.083 -16.096 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -0.154 -5.380 -15.452 1.00 25.00 H new ATOM 528 N LEU B 15 2.356 -5.914 -16.685 1.00 25.00 N ATOM 529 CA LEU B 15 3.660 -5.306 -16.900 1.00 25.00 C ATOM 530 C LEU B 15 4.533 -6.073 -17.857 1.00 25.00 C ATOM 531 O LEU B 15 5.295 -5.518 -18.675 1.00 25.00 O ATOM 532 CB LEU B 15 4.387 -5.170 -15.569 1.00 25.00 C ATOM 533 CG LEU B 15 3.800 -4.187 -14.558 1.00 25.00 C ATOM 534 CD1 LEU B 15 4.649 -4.243 -13.277 1.00 25.00 C ATOM 535 CD2 LEU B 15 3.765 -2.813 -15.149 1.00 25.00 C ATOM 0 H LEU B 15 2.230 -6.302 -15.750 1.00 25.00 H new ATOM 0 HA LEU B 15 3.473 -4.331 -17.349 1.00 25.00 H new ATOM 0 HB2 LEU B 15 4.426 -6.154 -15.102 1.00 25.00 H new ATOM 0 HB3 LEU B 15 5.416 -4.873 -15.773 1.00 25.00 H new ATOM 0 HG LEU B 15 2.774 -4.455 -14.306 1.00 25.00 H new ATOM 0 HD11 LEU B 15 4.245 -3.547 -12.542 1.00 25.00 H new ATOM 0 HD12 LEU B 15 4.627 -5.254 -12.870 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.678 -3.968 -13.510 1.00 25.00 H new ATOM 0 HD21 LEU B 15 3.345 -2.116 -14.424 1.00 25.00 H new ATOM 0 HD22 LEU B 15 4.777 -2.502 -15.408 1.00 25.00 H new ATOM 0 HD23 LEU B 15 3.147 -2.819 -16.047 1.00 25.00 H new ATOM 547 N TYR B 16 4.400 -7.366 -17.762 1.00 25.00 N ATOM 548 CA TYR B 16 5.055 -8.247 -18.703 1.00 25.00 C ATOM 549 C TYR B 16 4.486 -7.957 -20.095 1.00 25.00 C ATOM 550 O TYR B 16 5.252 -7.823 -21.039 1.00 25.00 O ATOM 551 CB TYR B 16 4.948 -9.700 -18.308 1.00 25.00 C ATOM 552 CG TYR B 16 5.244 -10.662 -19.437 1.00 25.00 C ATOM 553 CD1 TYR B 16 6.578 -10.919 -19.845 1.00 25.00 C ATOM 554 CD2 TYR B 16 4.182 -11.270 -20.124 1.00 25.00 C ATOM 555 CE1 TYR B 16 6.836 -11.804 -20.924 1.00 25.00 C ATOM 556 CE2 TYR B 16 4.420 -12.117 -21.209 1.00 25.00 C ATOM 557 CZ TYR B 16 5.740 -12.402 -21.606 1.00 25.00 C ATOM 558 OH TYR B 16 5.941 -13.227 -22.691 1.00 25.00 O ATOM 0 H TYR B 16 3.847 -7.838 -17.047 1.00 25.00 H new ATOM 0 HA TYR B 16 6.127 -8.051 -18.707 1.00 25.00 H new ATOM 0 HB2 TYR B 16 5.637 -9.895 -17.486 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.943 -9.892 -17.933 1.00 25.00 H new ATOM 0 HD1 TYR B 16 7.400 -10.440 -19.333 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.166 -11.080 -19.809 1.00 25.00 H new ATOM 0 HE1 TYR B 16 7.851 -12.021 -21.223 1.00 25.00 H new ATOM 0 HE2 TYR B 16 3.590 -12.554 -21.744 1.00 25.00 H new ATOM 0 HH TYR B 16 5.076 -13.543 -23.026 1.00 25.00 H new ATOM 568 N LEU B 17 3.190 -7.807 -20.248 1.00 25.00 N ATOM 569 CA LEU B 17 2.673 -7.529 -21.571 1.00 25.00 C ATOM 570 C LEU B 17 2.904 -6.091 -22.095 1.00 25.00 C ATOM 571 O LEU B 17 3.032 -5.859 -23.280 1.00 25.00 O ATOM 572 CB LEU B 17 1.160 -7.806 -21.576 1.00 25.00 C ATOM 573 CG LEU B 17 0.768 -9.276 -21.352 1.00 25.00 C ATOM 574 CD1 LEU B 17 -0.763 -9.349 -20.966 1.00 25.00 C ATOM 575 CD2 LEU B 17 0.974 -10.052 -22.634 1.00 25.00 C ATOM 0 H LEU B 17 2.495 -7.869 -19.504 1.00 25.00 H new ATOM 0 HA LEU B 17 3.232 -8.182 -22.242 1.00 25.00 H new ATOM 0 HB2 LEU B 17 0.692 -7.199 -20.801 1.00 25.00 H new ATOM 0 HB3 LEU B 17 0.749 -7.477 -22.530 1.00 25.00 H new ATOM 0 HG LEU B 17 1.382 -9.698 -20.556 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.049 -10.389 -20.806 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.935 -8.780 -20.052 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.362 -8.929 -21.774 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.697 -11.094 -22.477 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.352 -9.626 -23.421 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.022 -9.996 -22.929 1.00 25.00 H new ATOM 587 N VAL B 18 2.918 -5.123 -21.195 1.00 25.00 N ATOM 588 CA VAL B 18 3.045 -3.763 -21.629 1.00 25.00 C ATOM 589 C VAL B 18 4.492 -3.390 -22.020 1.00 25.00 C ATOM 590 O VAL B 18 4.681 -2.647 -22.965 1.00 25.00 O ATOM 591 CB VAL B 18 2.431 -2.769 -20.579 1.00 25.00 C ATOM 592 CG1 VAL B 18 3.349 -2.580 -19.405 1.00 25.00 C ATOM 593 CG2 VAL B 18 2.145 -1.405 -21.234 1.00 25.00 C ATOM 0 H VAL B 18 2.844 -5.258 -20.187 1.00 25.00 H new ATOM 0 HA VAL B 18 2.462 -3.668 -22.545 1.00 25.00 H new ATOM 0 HB VAL B 18 1.497 -3.202 -20.222 1.00 25.00 H new ATOM 0 HG11 VAL B 18 2.896 -1.887 -18.696 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.517 -3.540 -18.917 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.301 -2.176 -19.749 1.00 25.00 H new ATOM 0 HG21 VAL B 18 1.720 -0.728 -20.493 1.00 25.00 H new ATOM 0 HG22 VAL B 18 3.074 -0.985 -21.619 1.00 25.00 H new ATOM 0 HG23 VAL B 18 1.438 -1.536 -22.054 1.00 25.00 H new ATOM 603 N CYS B 19 5.517 -3.845 -21.268 1.00 25.00 N ATOM 604 CA CYS B 19 6.927 -3.436 -21.499 1.00 25.00 C ATOM 605 C CYS B 19 7.853 -4.595 -21.918 1.00 25.00 C ATOM 606 O CYS B 19 8.904 -4.360 -22.511 1.00 25.00 O ATOM 607 CB CYS B 19 7.549 -2.833 -20.246 1.00 25.00 C ATOM 608 SG CYS B 19 6.679 -1.430 -19.512 1.00 25.00 S ATOM 0 H CYS B 19 5.398 -4.497 -20.493 1.00 25.00 H new ATOM 0 HA CYS B 19 6.858 -2.711 -22.310 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.629 -3.617 -19.493 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.564 -2.517 -20.487 1.00 25.00 H new ATOM 613 N GLY B 20 7.539 -5.841 -21.526 1.00 25.00 N ATOM 614 CA GLY B 20 8.267 -6.979 -22.051 1.00 25.00 C ATOM 615 C GLY B 20 9.756 -7.012 -21.748 1.00 25.00 C ATOM 616 O GLY B 20 10.147 -7.294 -20.600 1.00 25.00 O ATOM 0 H GLY B 20 6.800 -6.071 -20.861 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.815 -7.889 -21.655 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.135 -7.002 -23.133 1.00 25.00 H new ATOM 620 N GLU B 21 10.575 -6.747 -22.752 1.00 25.00 N ATOM 621 CA GLU B 21 12.020 -6.824 -22.606 1.00 25.00 C ATOM 622 C GLU B 21 12.508 -5.789 -21.583 1.00 25.00 C ATOM 623 O GLU B 21 13.446 -5.989 -20.847 1.00 25.00 O ATOM 624 CB GLU B 21 12.718 -6.572 -23.932 1.00 25.00 C ATOM 625 CG GLU B 21 12.328 -7.532 -25.042 1.00 25.00 C ATOM 626 CD GLU B 21 11.208 -7.009 -25.921 1.00 25.00 C ATOM 627 OE1 GLU B 21 10.177 -6.578 -25.468 1.00 25.00 O ATOM 628 OE2 GLU B 21 11.448 -7.051 -27.161 1.00 25.00 O ATOM 0 H GLU B 21 10.261 -6.475 -23.684 1.00 25.00 H new ATOM 0 HA GLU B 21 12.263 -7.829 -22.261 1.00 25.00 H new ATOM 0 HB2 GLU B 21 12.499 -5.554 -24.256 1.00 25.00 H new ATOM 0 HB3 GLU B 21 13.795 -6.633 -23.778 1.00 25.00 H new ATOM 0 HG2 GLU B 21 13.202 -7.735 -25.661 1.00 25.00 H new ATOM 0 HG3 GLU B 21 12.022 -8.481 -24.602 1.00 25.00 H new ATOM 636 N ARG B 22 11.809 -4.658 -21.544 1.00 25.00 N ATOM 637 CA ARG B 22 12.121 -3.566 -20.599 1.00 25.00 C ATOM 638 C ARG B 22 11.164 -3.628 -19.399 1.00 25.00 C ATOM 639 O ARG B 22 10.677 -2.580 -18.912 1.00 25.00 O ATOM 640 CB ARG B 22 12.018 -2.198 -21.306 1.00 25.00 C ATOM 641 CG ARG B 22 12.941 -2.073 -22.541 1.00 25.00 C ATOM 642 CD ARG B 22 14.386 -2.221 -22.170 1.00 25.00 C ATOM 643 NE ARG B 22 14.808 -1.140 -21.268 1.00 25.00 N ATOM 644 CZ ARG B 22 16.017 -1.011 -20.758 1.00 25.00 C ATOM 645 NH1 ARG B 22 16.964 -1.882 -21.035 1.00 25.00 N ATOM 646 NH2 ARG B 22 16.262 -0.013 -19.940 1.00 25.00 N ATOM 0 H ARG B 22 11.016 -4.464 -22.156 1.00 25.00 H new ATOM 0 HA ARG B 22 13.143 -3.687 -20.240 1.00 25.00 H new ATOM 0 HB2 ARG B 22 10.986 -2.034 -21.615 1.00 25.00 H new ATOM 0 HB3 ARG B 22 12.267 -1.410 -20.595 1.00 25.00 H new ATOM 0 HG2 ARG B 22 12.674 -2.834 -23.274 1.00 25.00 H new ATOM 0 HG3 ARG B 22 12.784 -1.104 -23.016 1.00 25.00 H new ATOM 0 HD2 ARG B 22 14.545 -3.186 -21.688 1.00 25.00 H new ATOM 0 HD3 ARG B 22 15.000 -2.210 -23.070 1.00 25.00 H new ATOM 0 HE ARG B 22 14.113 -0.437 -21.018 1.00 25.00 H new ATOM 0 HH11 ARG B 22 16.767 -2.670 -21.652 1.00 25.00 H new ATOM 0 HH12 ARG B 22 17.895 -1.769 -20.633 1.00 25.00 H new ATOM 0 HH21 ARG B 22 15.522 0.649 -19.707 1.00 25.00 H new ATOM 0 HH22 ARG B 22 17.192 0.100 -19.537 1.00 25.00 H new ATOM 660 N GLY B 23 10.847 -4.830 -18.976 1.00 25.00 N ATOM 661 CA GLY B 23 9.975 -5.044 -17.819 1.00 25.00 C ATOM 662 C GLY B 23 10.448 -4.482 -16.489 1.00 25.00 C ATOM 663 O GLY B 23 11.394 -3.741 -16.372 1.00 25.00 O ATOM 0 H GLY B 23 11.178 -5.690 -19.414 1.00 25.00 H new ATOM 0 HA2 GLY B 23 9.001 -4.610 -18.044 1.00 25.00 H new ATOM 0 HA3 GLY B 23 9.826 -6.117 -17.700 1.00 25.00 H new ATOM 667 N PHE B 24 9.710 -4.847 -15.470 1.00 25.00 N ATOM 668 CA PHE B 24 9.834 -4.320 -14.119 1.00 25.00 C ATOM 669 C PHE B 24 10.904 -5.137 -13.380 1.00 25.00 C ATOM 670 O PHE B 24 11.474 -6.115 -13.923 1.00 25.00 O ATOM 671 CB PHE B 24 8.474 -4.434 -13.418 1.00 25.00 C ATOM 672 CG PHE B 24 8.007 -5.873 -13.239 1.00 25.00 C ATOM 673 CD1 PHE B 24 7.316 -6.556 -14.280 1.00 25.00 C ATOM 674 CD2 PHE B 24 8.259 -6.548 -12.031 1.00 25.00 C ATOM 675 CE1 PHE B 24 6.915 -7.908 -14.117 1.00 25.00 C ATOM 676 CE2 PHE B 24 7.848 -7.867 -11.852 1.00 25.00 C ATOM 677 CZ PHE B 24 7.194 -8.557 -12.907 1.00 25.00 C ATOM 0 H PHE B 24 8.974 -5.548 -15.555 1.00 25.00 H new ATOM 0 HA PHE B 24 10.132 -3.271 -14.130 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.535 -3.955 -12.441 1.00 25.00 H new ATOM 0 HB3 PHE B 24 7.729 -3.887 -13.995 1.00 25.00 H new ATOM 0 HD1 PHE B 24 7.095 -6.040 -15.203 1.00 25.00 H new ATOM 0 HD2 PHE B 24 8.777 -6.038 -11.233 1.00 25.00 H new ATOM 0 HE1 PHE B 24 6.403 -8.428 -14.913 1.00 25.00 H new ATOM 0 HE2 PHE B 24 8.027 -8.365 -10.911 1.00 25.00 H new ATOM 0 HZ PHE B 24 6.909 -9.590 -12.776 1.00 25.00 H new ATOM 687 N PHE B 25 11.246 -4.727 -12.182 1.00 25.00 N ATOM 688 CA PHE B 25 12.329 -5.413 -11.430 1.00 25.00 C ATOM 689 C PHE B 25 11.817 -5.541 -10.016 1.00 25.00 C ATOM 690 O PHE B 25 11.708 -4.563 -9.306 1.00 25.00 O ATOM 691 CB PHE B 25 13.591 -4.595 -11.405 1.00 25.00 C ATOM 692 CG PHE B 25 14.682 -5.173 -10.545 1.00 25.00 C ATOM 693 CD1 PHE B 25 15.348 -6.334 -10.963 1.00 25.00 C ATOM 694 CD2 PHE B 25 15.054 -4.572 -9.297 1.00 25.00 C ATOM 695 CE1 PHE B 25 16.418 -6.862 -10.194 1.00 25.00 C ATOM 696 CE2 PHE B 25 16.095 -5.132 -8.528 1.00 25.00 C ATOM 697 CZ PHE B 25 16.758 -6.279 -8.968 1.00 25.00 C ATOM 0 H PHE B 25 10.815 -3.941 -11.695 1.00 25.00 H new ATOM 0 HA PHE B 25 12.567 -6.370 -11.895 1.00 25.00 H new ATOM 0 HB2 PHE B 25 13.964 -4.491 -12.424 1.00 25.00 H new ATOM 0 HB3 PHE B 25 13.354 -3.593 -11.048 1.00 25.00 H new ATOM 0 HD1 PHE B 25 15.046 -6.829 -11.874 1.00 25.00 H new ATOM 0 HD2 PHE B 25 14.537 -3.691 -8.946 1.00 25.00 H new ATOM 0 HE1 PHE B 25 16.971 -7.716 -10.556 1.00 25.00 H new ATOM 0 HE2 PHE B 25 16.381 -4.671 -7.594 1.00 25.00 H new ATOM 0 HZ PHE B 25 17.536 -6.718 -8.360 1.00 25.00 H new HETATM 707 N NVA B 26 11.459 -6.809 -9.664 1.00 25.00 N HETATM 708 CA NVA B 26 10.889 -7.181 -8.332 1.00 25.00 C HETATM 709 CB NVA B 26 9.516 -7.997 -8.526 1.00 25.00 C HETATM 710 CG NVA B 26 9.663 -9.549 -8.875 1.00 25.00 C HETATM 711 CD NVA B 26 10.306 -9.891 -10.254 1.00 25.00 C HETATM 712 C NVA B 26 11.919 -7.884 -7.391 1.00 25.00 C HETATM 713 O NVA B 26 11.626 -8.768 -6.639 1.00 25.00 O HETATM 0 HG3 NVA B 26 10.259 -10.020 -8.094 1.00 25.00 H new HETATM 0 HG2 NVA B 26 8.673 -10.003 -8.838 1.00 25.00 H new HETATM 0 HD3 NVA B 26 9.703 -9.461 -11.053 1.00 25.00 H new HETATM 0 HD2 NVA B 26 11.314 -9.478 -10.298 1.00 25.00 H new HETATM 0 HB3 NVA B 26 8.930 -7.905 -7.611 1.00 25.00 H new HETATM 0 HB2 NVA B 26 8.943 -7.520 -9.321 1.00 25.00 H new HETATM 0 HA NVA B 26 10.646 -6.261 -7.801 1.00 25.00 H new ATOM 722 N THR B 27 13.175 -7.398 -7.447 1.00 25.00 N ATOM 723 CA THR B 27 14.375 -7.933 -6.801 1.00 25.00 C ATOM 724 C THR B 27 14.714 -9.225 -7.555 1.00 25.00 C ATOM 725 O THR B 27 13.958 -9.633 -8.458 1.00 25.00 O ATOM 726 CB THR B 27 14.263 -8.108 -5.236 1.00 25.00 C ATOM 727 OG1 THR B 27 13.633 -9.304 -4.876 1.00 25.00 O ATOM 728 CG2 THR B 27 13.528 -6.942 -4.596 1.00 25.00 C ATOM 0 H THR B 27 13.385 -6.559 -7.987 1.00 25.00 H new ATOM 0 HA THR B 27 15.192 -7.215 -6.872 1.00 25.00 H new ATOM 0 HB THR B 27 15.287 -8.135 -4.865 1.00 25.00 H new ATOM 0 HG1 THR B 27 12.803 -9.404 -5.388 1.00 25.00 H new ATOM 0 HG21 THR B 27 13.470 -7.096 -3.519 1.00 25.00 H new ATOM 0 HG22 THR B 27 14.065 -6.016 -4.802 1.00 25.00 H new ATOM 0 HG23 THR B 27 12.521 -6.876 -5.008 1.00 25.00 H new ATOM 736 N PRO B 28 15.910 -9.801 -7.342 1.00 25.00 N ATOM 737 CA PRO B 28 16.184 -10.949 -8.199 1.00 25.00 C ATOM 738 C PRO B 28 15.276 -12.172 -7.914 1.00 25.00 C ATOM 739 O PRO B 28 14.988 -12.571 -6.763 1.00 25.00 O ATOM 740 CB PRO B 28 17.661 -11.261 -7.874 1.00 25.00 C ATOM 741 CG PRO B 28 17.836 -10.747 -6.496 1.00 25.00 C ATOM 742 CD PRO B 28 17.059 -9.458 -6.495 1.00 25.00 C ATOM 0 HA PRO B 28 15.989 -10.731 -9.249 1.00 25.00 H new ATOM 0 HB2 PRO B 28 17.866 -12.330 -7.931 1.00 25.00 H new ATOM 0 HB3 PRO B 28 18.337 -10.769 -8.573 1.00 25.00 H new ATOM 0 HG2 PRO B 28 17.450 -11.448 -5.755 1.00 25.00 H new ATOM 0 HG3 PRO B 28 18.887 -10.581 -6.261 1.00 25.00 H new ATOM 0 HD2 PRO B 28 16.754 -9.165 -5.490 1.00 25.00 H new ATOM 0 HD3 PRO B 28 17.638 -8.631 -6.906 1.00 25.00 H new HETATM 750 N HIX B 29 14.865 -12.752 -9.040 1.00 25.00 N HETATM 751 CA HIX B 29 13.995 -13.947 -9.090 1.00 25.00 C HETATM 752 C HIX B 29 14.793 -15.215 -8.856 1.00 25.00 C HETATM 753 O HIX B 29 15.709 -15.554 -9.585 1.00 25.00 O HETATM 754 CB HIX B 29 13.195 -13.985 -10.420 1.00 25.00 C HETATM 755 CG HIX B 29 12.041 -13.031 -10.410 1.00 25.00 C HETATM 756 CD2 HIX B 29 12.120 -11.671 -10.180 1.00 25.00 C HETATM 757 ND1 HIX B 29 10.724 -13.286 -10.635 1.00 25.00 N HETATM 758 NE1 HIX B 29 9.870 -12.202 -10.584 1.00 25.00 N HETATM 759 NE2 HIX B 29 10.852 -11.245 -10.309 1.00 25.00 N ATOM 766 N THR B 30 14.463 -15.894 -7.748 1.00 25.00 N ATOM 767 CA THR B 30 15.130 -17.081 -7.271 1.00 25.00 C ATOM 768 C THR B 30 14.204 -17.962 -6.457 1.00 25.00 C ATOM 769 O THR B 30 14.140 -19.161 -6.582 1.00 25.00 O ATOM 770 CB THR B 30 16.445 -16.784 -6.424 1.00 25.00 C ATOM 771 OG1 THR B 30 17.252 -15.752 -7.029 1.00 25.00 O ATOM 772 CG2 THR B 30 17.384 -18.020 -6.244 1.00 25.00 C ATOM 773 OXT THR B 30 13.527 -17.316 -5.529 1.00 25.00 O ATOM 0 H THR B 30 13.691 -15.607 -7.146 1.00 25.00 H new ATOM 0 HA THR B 30 15.434 -17.606 -8.177 1.00 25.00 H new ATOM 0 HB THR B 30 16.057 -16.479 -5.452 1.00 25.00 H new ATOM 0 HG1 THR B 30 18.049 -15.596 -6.480 1.00 25.00 H new ATOM 0 HG21 THR B 30 18.256 -17.732 -5.656 1.00 25.00 H new ATOM 0 HG22 THR B 30 16.845 -18.815 -5.728 1.00 25.00 H new ATOM 0 HG23 THR B 30 17.708 -18.376 -7.222 1.00 25.00 H new TER 782 THR B 30