USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 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 HD2 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) 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 Set 1.1: B 4 GLN : amide:sc= -0.0725 X(o=-0.073,f=0) USER MOD Set 1.2: B 10 HIS : no HD1:sc= 0 X(o=-0.073,f=-0.13) USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0.0244 USER MOD Set 2.2: A 15 GLN : amide:sc= 0.317 K(o=0.34,f=-5.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc=-0.00345 K(o=-0.0034,f=-0.89) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.133 K(o=-0.13,f=-1) USER MOD Single : A 19 TYR OH : rot 180:sc=-0.00244 USER MOD Single : A 21 ASN : amide:sc= -0.0835 K(o=-0.083,f=-1.1!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -0.0591 K(o=-0.059,f=-1) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.068 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.238 0.792 -0.791 1.00 25.00 N ATOM 2 CA GLY A 1 0.531 -0.391 -1.458 1.00 25.00 C ATOM 3 C GLY A 1 0.042 -0.183 -2.896 1.00 25.00 C ATOM 4 O GLY A 1 -1.114 0.067 -3.159 1.00 25.00 O ATOM 0 H1 GLY A 1 1.520 0.528 0.175 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.083 1.046 -1.341 1.00 25.00 H new ATOM 0 H3 GLY A 1 0.592 1.606 -0.753 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.212 -1.242 -1.451 1.00 25.00 H new ATOM 0 HA3 GLY A 1 -0.327 -0.664 -0.844 1.00 25.00 H new ATOM 9 N ILE A 2 0.898 -0.479 -3.929 1.00 25.00 N ATOM 10 CA ILE A 2 0.462 -0.315 -5.317 1.00 25.00 C ATOM 11 C ILE A 2 -0.500 -1.411 -5.876 1.00 25.00 C ATOM 12 O ILE A 2 -1.371 -1.157 -6.735 1.00 25.00 O ATOM 13 CB ILE A 2 1.664 -0.044 -6.311 1.00 25.00 C ATOM 14 CG1 ILE A 2 1.190 0.633 -7.600 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.466 -1.360 -6.678 1.00 25.00 C ATOM 16 CD1 ILE A 2 0.634 2.048 -7.430 1.00 25.00 C ATOM 0 H ILE A 2 1.853 -0.818 -3.813 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.154 0.583 -5.264 1.00 25.00 H new ATOM 0 HB ILE A 2 2.338 0.626 -5.777 1.00 25.00 H new ATOM 0 HG12 ILE A 2 2.025 0.670 -8.299 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.420 0.010 -8.056 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.278 -1.113 -7.362 1.00 25.00 H new ATOM 0 HG22 ILE A 2 2.878 -1.800 -5.770 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.795 -2.074 -7.155 1.00 25.00 H new ATOM 0 HD11 ILE A 2 0.327 2.437 -8.401 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -0.226 2.023 -6.760 1.00 25.00 H new ATOM 0 HD13 ILE A 2 1.404 2.693 -7.008 1.00 25.00 H new ATOM 28 N VAL A 3 -0.446 -2.598 -5.292 1.00 25.00 N ATOM 29 CA VAL A 3 -1.327 -3.670 -5.719 1.00 25.00 C ATOM 30 C VAL A 3 -2.735 -3.328 -5.296 1.00 25.00 C ATOM 31 O VAL A 3 -3.629 -3.282 -6.153 1.00 25.00 O ATOM 32 CB VAL A 3 -0.967 -5.064 -5.097 1.00 25.00 C ATOM 33 CG1 VAL A 3 -2.068 -6.139 -5.420 1.00 25.00 C ATOM 34 CG2 VAL A 3 0.391 -5.575 -5.604 1.00 25.00 C ATOM 0 H VAL A 3 0.189 -2.840 -4.532 1.00 25.00 H new ATOM 0 HA VAL A 3 -1.220 -3.755 -6.800 1.00 25.00 H new ATOM 0 HB VAL A 3 -0.913 -4.917 -4.018 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -1.787 -7.093 -4.974 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -3.025 -5.815 -5.010 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -2.157 -6.256 -6.500 1.00 25.00 H new ATOM 0 HG21 VAL A 3 0.607 -6.543 -5.152 1.00 25.00 H new ATOM 0 HG22 VAL A 3 0.358 -5.680 -6.688 1.00 25.00 H new ATOM 0 HG23 VAL A 3 1.172 -4.865 -5.332 1.00 25.00 H new ATOM 44 N GLU A 4 -2.969 -3.068 -4.018 1.00 25.00 N ATOM 45 CA GLU A 4 -4.324 -2.810 -3.558 1.00 25.00 C ATOM 46 C GLU A 4 -4.844 -1.564 -4.263 1.00 25.00 C ATOM 47 O GLU A 4 -6.060 -1.451 -4.461 1.00 25.00 O ATOM 48 CB GLU A 4 -4.397 -2.609 -1.990 1.00 25.00 C ATOM 49 CG GLU A 4 -3.555 -1.491 -1.449 1.00 25.00 C ATOM 50 CD GLU A 4 -3.753 -1.299 0.034 1.00 25.00 C ATOM 51 OE1 GLU A 4 -4.792 -1.043 0.545 1.00 25.00 O ATOM 52 OE2 GLU A 4 -2.671 -1.365 0.749 1.00 25.00 O ATOM 0 H GLU A 4 -2.252 -3.030 -3.293 1.00 25.00 H new ATOM 0 HA GLU A 4 -4.939 -3.677 -3.797 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -5.435 -2.428 -1.711 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -4.094 -3.538 -1.506 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -2.504 -1.699 -1.650 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.802 -0.566 -1.970 1.00 25.00 H new ATOM 60 N GLN A 5 -3.951 -0.678 -4.701 1.00 25.00 N ATOM 61 CA GLN A 5 -4.332 0.524 -5.473 1.00 25.00 C ATOM 62 C GLN A 5 -4.806 0.227 -6.864 1.00 25.00 C ATOM 63 O GLN A 5 -5.796 0.780 -7.292 1.00 25.00 O ATOM 64 CB GLN A 5 -3.141 1.485 -5.574 1.00 25.00 C ATOM 65 CG GLN A 5 -3.589 3.005 -5.820 1.00 25.00 C ATOM 66 CD GLN A 5 -4.250 3.640 -4.606 1.00 25.00 C ATOM 67 OE1 GLN A 5 -4.281 3.083 -3.545 1.00 25.00 O ATOM 68 NE2 GLN A 5 -4.743 4.840 -4.768 1.00 25.00 N ATOM 0 H GLN A 5 -2.948 -0.763 -4.537 1.00 25.00 H new ATOM 0 HA GLN A 5 -5.164 0.969 -4.927 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.555 1.428 -4.657 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -2.491 1.166 -6.389 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -2.715 3.594 -6.099 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -4.280 3.041 -6.662 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -4.702 5.289 -5.683 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -5.168 5.327 -3.979 1.00 25.00 H new ATOM 77 N CYS A 6 -4.177 -0.697 -7.528 1.00 25.00 N ATOM 78 CA CYS A 6 -4.638 -1.073 -8.901 1.00 25.00 C ATOM 79 C CYS A 6 -5.803 -2.021 -8.805 1.00 25.00 C ATOM 80 O CYS A 6 -6.415 -2.391 -9.834 1.00 25.00 O ATOM 81 CB CYS A 6 -3.528 -1.703 -9.741 1.00 25.00 C ATOM 82 SG CYS A 6 -2.209 -0.535 -10.099 1.00 25.00 S ATOM 0 H CYS A 6 -3.365 -1.211 -7.186 1.00 25.00 H new ATOM 0 HA CYS A 6 -4.941 -0.154 -9.403 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -3.117 -2.563 -9.212 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -3.947 -2.074 -10.676 1.00 25.00 H new ATOM 87 N CYS A 7 -6.103 -2.444 -7.568 1.00 25.00 N ATOM 88 CA CYS A 7 -7.280 -3.280 -7.272 1.00 25.00 C ATOM 89 C CYS A 7 -8.556 -2.451 -7.081 1.00 25.00 C ATOM 90 O CYS A 7 -9.616 -2.795 -7.635 1.00 25.00 O ATOM 91 CB CYS A 7 -7.045 -4.119 -6.012 1.00 25.00 C ATOM 92 SG CYS A 7 -8.174 -5.514 -5.778 1.00 25.00 S ATOM 0 H CYS A 7 -5.541 -2.219 -6.747 1.00 25.00 H new ATOM 0 HA CYS A 7 -7.419 -3.929 -8.137 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -6.025 -4.501 -6.037 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -7.119 -3.465 -5.143 1.00 25.00 H new ATOM 97 N THR A 8 -8.492 -1.391 -6.269 1.00 25.00 N ATOM 98 CA THR A 8 -9.653 -0.488 -5.965 1.00 25.00 C ATOM 99 C THR A 8 -9.848 0.529 -7.063 1.00 25.00 C ATOM 100 O THR A 8 -10.949 1.035 -7.220 1.00 25.00 O ATOM 101 CB THR A 8 -9.367 0.227 -4.612 1.00 25.00 C ATOM 102 OG1 THR A 8 -10.533 0.896 -4.136 1.00 25.00 O ATOM 103 CG2 THR A 8 -8.239 1.223 -4.701 1.00 25.00 C ATOM 0 H THR A 8 -7.634 -1.116 -5.790 1.00 25.00 H new ATOM 0 HA THR A 8 -10.568 -1.076 -5.898 1.00 25.00 H new ATOM 0 HB THR A 8 -9.071 -0.558 -3.916 1.00 25.00 H new ATOM 0 HG1 THR A 8 -10.332 1.337 -3.284 1.00 25.00 H new ATOM 0 HG21 THR A 8 -8.087 1.689 -3.727 1.00 25.00 H new ATOM 0 HG22 THR A 8 -7.326 0.712 -5.005 1.00 25.00 H new ATOM 0 HG23 THR A 8 -8.488 1.990 -5.435 1.00 25.00 H new ATOM 111 N SER A 9 -8.822 0.828 -7.837 1.00 25.00 N ATOM 112 CA SER A 9 -8.950 1.771 -8.963 1.00 25.00 C ATOM 113 C SER A 9 -8.349 1.089 -10.181 1.00 25.00 C ATOM 114 O SER A 9 -7.897 -0.041 -10.082 1.00 25.00 O ATOM 115 CB SER A 9 -8.180 3.061 -8.688 1.00 25.00 C ATOM 116 OG SER A 9 -8.704 3.673 -7.552 1.00 25.00 O ATOM 0 H SER A 9 -7.887 0.439 -7.718 1.00 25.00 H new ATOM 0 HA SER A 9 -9.998 2.030 -9.114 1.00 25.00 H new ATOM 0 HB2 SER A 9 -7.122 2.843 -8.543 1.00 25.00 H new ATOM 0 HB3 SER A 9 -8.253 3.732 -9.544 1.00 25.00 H new ATOM 0 HG SER A 9 -8.212 4.501 -7.370 1.00 25.00 H new ATOM 122 N ILE A 10 -8.344 1.713 -11.331 1.00 25.00 N ATOM 123 CA ILE A 10 -7.764 1.100 -12.540 1.00 25.00 C ATOM 124 C ILE A 10 -6.485 1.857 -12.931 1.00 25.00 C ATOM 125 O ILE A 10 -6.529 3.091 -13.039 1.00 25.00 O ATOM 126 CB ILE A 10 -8.838 1.129 -13.763 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.113 0.293 -13.364 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.234 0.610 -15.070 1.00 25.00 C ATOM 129 CD1 ILE A 10 -11.281 0.345 -14.352 1.00 25.00 C ATOM 0 H ILE A 10 -8.731 2.646 -11.475 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.516 0.059 -12.331 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.125 2.166 -13.939 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -9.816 -0.748 -13.236 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.466 0.645 -12.395 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -8.986 0.647 -15.858 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.384 1.232 -15.350 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -7.902 -0.419 -14.934 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -12.103 -0.265 -13.977 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -11.617 1.376 -14.465 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.957 -0.039 -15.319 1.00 25.00 H new ATOM 141 N CYS A 11 -5.335 1.163 -13.016 1.00 25.00 N ATOM 142 CA CYS A 11 -4.093 1.828 -13.336 1.00 25.00 C ATOM 143 C CYS A 11 -4.031 1.897 -14.861 1.00 25.00 C ATOM 144 O CYS A 11 -4.428 0.965 -15.546 1.00 25.00 O ATOM 145 CB CYS A 11 -2.906 1.051 -12.724 1.00 25.00 C ATOM 146 SG CYS A 11 -3.052 1.130 -10.892 1.00 25.00 S ATOM 0 H CYS A 11 -5.256 0.157 -12.867 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.037 2.834 -12.919 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -2.915 0.015 -13.062 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -1.960 1.484 -13.049 1.00 25.00 H new ATOM 151 N SER A 12 -3.544 2.996 -15.373 1.00 25.00 N ATOM 152 CA SER A 12 -3.483 3.234 -16.813 1.00 25.00 C ATOM 153 C SER A 12 -2.202 2.716 -17.479 1.00 25.00 C ATOM 154 O SER A 12 -1.202 2.450 -16.788 1.00 25.00 O ATOM 155 CB SER A 12 -3.580 4.738 -17.020 1.00 25.00 C ATOM 156 OG SER A 12 -4.312 5.298 -15.934 1.00 25.00 O ATOM 0 H SER A 12 -3.174 3.762 -14.811 1.00 25.00 H new ATOM 0 HA SER A 12 -4.302 2.686 -17.279 1.00 25.00 H new ATOM 0 HB2 SER A 12 -2.584 5.178 -17.072 1.00 25.00 H new ATOM 0 HB3 SER A 12 -4.076 4.959 -17.965 1.00 25.00 H new ATOM 0 HG SER A 12 -4.382 6.268 -16.052 1.00 25.00 H new ATOM 162 N LEU A 13 -2.168 2.627 -18.798 1.00 25.00 N ATOM 163 CA LEU A 13 -1.013 2.063 -19.518 1.00 25.00 C ATOM 164 C LEU A 13 0.305 2.795 -19.190 1.00 25.00 C ATOM 165 O LEU A 13 1.309 2.186 -19.033 1.00 25.00 O ATOM 166 CB LEU A 13 -1.204 2.172 -21.044 1.00 25.00 C ATOM 167 CG LEU A 13 -2.156 1.146 -21.674 1.00 25.00 C ATOM 168 CD1 LEU A 13 -2.358 1.499 -23.155 1.00 25.00 C ATOM 169 CD2 LEU A 13 -1.483 -0.252 -21.531 1.00 25.00 C ATOM 0 H LEU A 13 -2.927 2.937 -19.405 1.00 25.00 H new ATOM 0 HA LEU A 13 -0.953 1.024 -19.195 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -1.573 3.171 -21.274 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -0.229 2.075 -21.521 1.00 25.00 H new ATOM 0 HG LEU A 13 -3.130 1.145 -21.185 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -3.033 0.776 -23.613 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -2.787 2.498 -23.236 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -1.397 1.474 -23.669 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -2.129 -1.013 -21.968 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -0.524 -0.249 -22.049 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -1.324 -0.473 -20.476 1.00 25.00 H new ATOM 181 N TYR A 14 0.230 4.123 -19.115 1.00 25.00 N ATOM 182 CA TYR A 14 1.397 4.959 -18.884 1.00 25.00 C ATOM 183 C TYR A 14 1.971 4.665 -17.508 1.00 25.00 C ATOM 184 O TYR A 14 3.123 4.588 -17.318 1.00 25.00 O ATOM 185 CB TYR A 14 1.045 6.458 -19.025 1.00 25.00 C ATOM 186 CG TYR A 14 -0.233 6.656 -19.841 1.00 25.00 C ATOM 187 CD1 TYR A 14 -0.216 6.692 -21.238 1.00 25.00 C ATOM 188 CD2 TYR A 14 -1.479 6.734 -19.192 1.00 25.00 C ATOM 189 CE1 TYR A 14 -1.407 6.863 -21.964 1.00 25.00 C ATOM 190 CE2 TYR A 14 -2.666 6.845 -19.911 1.00 25.00 C ATOM 191 CZ TYR A 14 -2.626 6.945 -21.315 1.00 25.00 C ATOM 192 OH TYR A 14 -3.711 7.156 -22.082 1.00 25.00 O ATOM 0 H TYR A 14 -0.641 4.644 -19.213 1.00 25.00 H new ATOM 0 HA TYR A 14 2.148 4.727 -19.639 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.919 6.898 -18.036 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.870 6.984 -19.505 1.00 25.00 H new ATOM 0 HD1 TYR A 14 0.721 6.587 -21.764 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -1.515 6.707 -18.113 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -1.370 6.931 -23.041 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -3.614 6.854 -19.394 1.00 25.00 H new ATOM 0 HH TYR A 14 -4.510 7.194 -21.515 1.00 25.00 H new ATOM 202 N GLN A 15 1.077 4.546 -16.514 1.00 25.00 N ATOM 203 CA GLN A 15 1.477 4.281 -15.163 1.00 25.00 C ATOM 204 C GLN A 15 2.147 2.955 -15.063 1.00 25.00 C ATOM 205 O GLN A 15 3.164 2.770 -14.414 1.00 25.00 O ATOM 206 CB GLN A 15 0.246 4.252 -14.246 1.00 25.00 C ATOM 207 CG GLN A 15 -0.564 5.538 -14.165 1.00 25.00 C ATOM 208 CD GLN A 15 -1.624 5.514 -13.061 1.00 25.00 C ATOM 209 OE1 GLN A 15 -2.626 4.833 -13.183 1.00 25.00 O ATOM 210 NE2 GLN A 15 -1.430 6.316 -12.025 1.00 25.00 N ATOM 0 H GLN A 15 0.069 4.633 -16.644 1.00 25.00 H new ATOM 0 HA GLN A 15 2.165 5.071 -14.860 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -0.414 3.453 -14.584 1.00 25.00 H new ATOM 0 HB3 GLN A 15 0.575 3.990 -13.240 1.00 25.00 H new ATOM 0 HG2 GLN A 15 0.112 6.375 -13.993 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -1.051 5.714 -15.124 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -0.576 6.870 -11.962 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -2.135 6.380 -11.291 1.00 25.00 H new ATOM 219 N LEU A 16 1.517 2.003 -15.730 1.00 25.00 N ATOM 220 CA LEU A 16 1.994 0.642 -15.705 1.00 25.00 C ATOM 221 C LEU A 16 3.384 0.568 -16.356 1.00 25.00 C ATOM 222 O LEU A 16 4.302 0.108 -15.700 1.00 25.00 O ATOM 223 CB LEU A 16 1.004 -0.291 -16.384 1.00 25.00 C ATOM 224 CG LEU A 16 -0.352 -0.460 -15.735 1.00 25.00 C ATOM 225 CD1 LEU A 16 -1.243 -1.099 -16.776 1.00 25.00 C ATOM 226 CD2 LEU A 16 -0.225 -1.363 -14.515 1.00 25.00 C ATOM 0 H LEU A 16 0.678 2.152 -16.291 1.00 25.00 H new ATOM 0 HA LEU A 16 2.084 0.313 -14.670 1.00 25.00 H new ATOM 0 HB2 LEU A 16 0.848 0.067 -17.402 1.00 25.00 H new ATOM 0 HB3 LEU A 16 1.466 -1.275 -16.459 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.764 0.493 -15.401 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.240 -1.246 -16.361 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -1.305 -0.450 -17.649 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.827 -2.063 -17.069 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.203 -1.484 -14.048 1.00 25.00 H new ATOM 0 HD22 LEU A 16 0.154 -2.338 -14.822 1.00 25.00 H new ATOM 0 HD23 LEU A 16 0.465 -0.914 -13.800 1.00 25.00 H new ATOM 238 N GLU A 17 3.598 1.120 -17.513 1.00 25.00 N ATOM 239 CA GLU A 17 4.930 1.072 -18.077 1.00 25.00 C ATOM 240 C GLU A 17 5.963 1.954 -17.365 1.00 25.00 C ATOM 241 O GLU A 17 7.154 1.702 -17.463 1.00 25.00 O ATOM 242 CB GLU A 17 4.907 1.378 -19.556 1.00 25.00 C ATOM 243 CG GLU A 17 4.456 2.777 -19.970 1.00 25.00 C ATOM 244 CD GLU A 17 5.572 3.792 -19.942 1.00 25.00 C ATOM 245 OE1 GLU A 17 6.696 3.531 -20.144 1.00 25.00 O ATOM 246 OE2 GLU A 17 5.188 4.987 -19.776 1.00 25.00 O ATOM 0 H GLU A 17 2.896 1.598 -18.078 1.00 25.00 H new ATOM 0 HA GLU A 17 5.262 0.046 -17.919 1.00 25.00 H new ATOM 0 HB2 GLU A 17 5.910 1.215 -19.951 1.00 25.00 H new ATOM 0 HB3 GLU A 17 4.252 0.654 -20.041 1.00 25.00 H new ATOM 0 HG2 GLU A 17 4.037 2.734 -20.975 1.00 25.00 H new ATOM 0 HG3 GLU A 17 3.657 3.106 -19.305 1.00 25.00 H new ATOM 254 N ASN A 18 5.484 2.924 -16.621 1.00 25.00 N ATOM 255 CA ASN A 18 6.354 3.776 -15.786 1.00 25.00 C ATOM 256 C ASN A 18 7.005 2.966 -14.609 1.00 25.00 C ATOM 257 O ASN A 18 7.844 3.512 -13.888 1.00 25.00 O ATOM 258 CB ASN A 18 5.588 4.972 -15.216 1.00 25.00 C ATOM 259 CG ASN A 18 5.713 6.210 -16.086 1.00 25.00 C ATOM 260 OD1 ASN A 18 6.723 6.468 -16.737 1.00 25.00 O ATOM 261 ND2 ASN A 18 4.651 7.003 -16.122 1.00 25.00 N ATOM 0 H ASN A 18 4.493 3.158 -16.565 1.00 25.00 H new ATOM 0 HA ASN A 18 7.146 4.142 -16.439 1.00 25.00 H new ATOM 0 HB2 ASN A 18 4.535 4.709 -15.112 1.00 25.00 H new ATOM 0 HB3 ASN A 18 5.961 5.195 -14.216 1.00 25.00 H new ATOM 0 HD21 ASN A 18 4.663 7.845 -16.698 1.00 25.00 H new ATOM 0 HD22 ASN A 18 3.822 6.771 -15.574 1.00 25.00 H new ATOM 268 N TYR A 19 6.528 1.719 -14.368 1.00 25.00 N ATOM 269 CA TYR A 19 7.124 0.905 -13.311 1.00 25.00 C ATOM 270 C TYR A 19 8.257 0.065 -13.828 1.00 25.00 C ATOM 271 O TYR A 19 9.028 -0.471 -13.054 1.00 25.00 O ATOM 272 CB TYR A 19 6.081 -0.046 -12.707 1.00 25.00 C ATOM 273 CG TYR A 19 4.798 0.675 -12.184 1.00 25.00 C ATOM 274 CD1 TYR A 19 4.808 1.955 -11.514 1.00 25.00 C ATOM 275 CD2 TYR A 19 3.535 0.047 -12.312 1.00 25.00 C ATOM 276 CE1 TYR A 19 3.670 2.532 -11.054 1.00 25.00 C ATOM 277 CE2 TYR A 19 2.373 0.637 -11.858 1.00 25.00 C ATOM 278 CZ TYR A 19 2.421 1.907 -11.209 1.00 25.00 C ATOM 279 OH TYR A 19 1.220 2.434 -10.798 1.00 25.00 O ATOM 0 H TYR A 19 5.761 1.279 -14.877 1.00 25.00 H new ATOM 0 HA TYR A 19 7.496 1.599 -12.558 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.793 -0.779 -13.460 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.538 -0.596 -11.885 1.00 25.00 H new ATOM 0 HD1 TYR A 19 5.749 2.467 -11.375 1.00 25.00 H new ATOM 0 HD2 TYR A 19 3.480 -0.925 -12.780 1.00 25.00 H new ATOM 0 HE1 TYR A 19 3.725 3.490 -10.559 1.00 25.00 H new ATOM 0 HE2 TYR A 19 1.426 0.137 -11.994 1.00 25.00 H new ATOM 0 HH TYR A 19 0.497 1.811 -11.019 1.00 25.00 H new ATOM 289 N CYS A 20 8.338 -0.025 -15.160 1.00 25.00 N ATOM 290 CA CYS A 20 9.365 -0.714 -15.890 1.00 25.00 C ATOM 291 C CYS A 20 10.605 0.141 -15.930 1.00 25.00 C ATOM 292 O CYS A 20 10.597 1.359 -15.759 1.00 25.00 O ATOM 293 CB CYS A 20 8.908 -0.970 -17.337 1.00 25.00 C ATOM 294 SG CYS A 20 7.408 -1.964 -17.392 1.00 25.00 S ATOM 0 H CYS A 20 7.647 0.408 -15.773 1.00 25.00 H new ATOM 0 HA CYS A 20 9.569 -1.664 -15.396 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.733 -0.018 -17.838 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.702 -1.477 -17.886 1.00 25.00 H new ATOM 299 N ASN A 21 11.709 -0.478 -16.370 1.00 25.00 N ATOM 300 CA ASN A 21 12.906 0.249 -16.704 1.00 25.00 C ATOM 301 C ASN A 21 12.648 1.064 -17.974 1.00 25.00 C ATOM 302 O ASN A 21 12.192 0.601 -19.004 1.00 25.00 O ATOM 303 CB ASN A 21 14.077 -0.753 -16.939 1.00 25.00 C ATOM 304 CG ASN A 21 15.383 -0.048 -16.930 1.00 25.00 C ATOM 305 OD1 ASN A 21 15.550 1.108 -17.229 1.00 25.00 O ATOM 306 ND2 ASN A 21 16.392 -0.780 -16.527 1.00 25.00 N ATOM 307 OXT ASN A 21 12.938 2.314 -17.849 1.00 25.00 O ATOM 0 H ASN A 21 11.781 -1.487 -16.498 1.00 25.00 H new ATOM 0 HA ASN A 21 13.177 0.920 -15.889 1.00 25.00 H new ATOM 0 HB2 ASN A 21 14.067 -1.519 -16.164 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.940 -1.262 -17.893 1.00 25.00 H new ATOM 0 HD21 ASN A 21 17.325 -0.372 -16.465 1.00 25.00 H new ATOM 0 HD22 ASN A 21 16.245 -1.757 -16.275 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -4.738 -3.295 -25.966 1.00 25.00 N ATOM 317 CA PHE B 1 -4.975 -3.344 -24.432 1.00 25.00 C ATOM 318 C PHE B 1 -6.347 -2.789 -23.958 1.00 25.00 C ATOM 319 O PHE B 1 -6.962 -1.912 -24.542 1.00 25.00 O ATOM 320 CB PHE B 1 -3.867 -2.491 -23.859 1.00 25.00 C ATOM 321 CG PHE B 1 -3.770 -2.514 -22.332 1.00 25.00 C ATOM 322 CD1 PHE B 1 -3.069 -3.530 -21.687 1.00 25.00 C ATOM 323 CD2 PHE B 1 -4.394 -1.490 -21.597 1.00 25.00 C ATOM 324 CE1 PHE B 1 -2.975 -3.536 -20.275 1.00 25.00 C ATOM 325 CE2 PHE B 1 -4.252 -1.459 -20.171 1.00 25.00 C ATOM 326 CZ PHE B 1 -3.564 -2.460 -19.529 1.00 25.00 C ATOM 0 H1 PHE B 1 -3.799 -3.685 -26.185 1.00 25.00 H new ATOM 0 H2 PHE B 1 -5.468 -3.858 -26.448 1.00 25.00 H new ATOM 0 H3 PHE B 1 -4.788 -2.309 -26.294 1.00 25.00 H new ATOM 0 HA PHE B 1 -4.978 -4.383 -24.101 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -2.917 -2.825 -24.275 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.013 -1.461 -24.185 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -2.598 -4.312 -22.264 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -4.975 -0.733 -22.103 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.466 -4.340 -19.765 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.685 -0.650 -19.602 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.465 -2.437 -18.454 1.00 25.00 H new ATOM 337 N VAL B 2 -6.785 -3.364 -22.836 1.00 25.00 N ATOM 338 CA VAL B 2 -8.041 -2.959 -22.185 1.00 25.00 C ATOM 339 C VAL B 2 -7.784 -2.655 -20.706 1.00 25.00 C ATOM 340 O VAL B 2 -7.132 -3.405 -19.984 1.00 25.00 O ATOM 341 CB VAL B 2 -9.183 -4.042 -22.318 1.00 25.00 C ATOM 342 CG1 VAL B 2 -8.694 -5.399 -21.845 1.00 25.00 C ATOM 343 CG2 VAL B 2 -10.494 -3.591 -21.635 1.00 25.00 C ATOM 0 H VAL B 2 -6.289 -4.114 -22.355 1.00 25.00 H new ATOM 0 HA VAL B 2 -8.391 -2.064 -22.700 1.00 25.00 H new ATOM 0 HB VAL B 2 -9.431 -4.147 -23.374 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -9.496 -6.130 -21.945 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -7.842 -5.710 -22.450 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -8.392 -5.333 -20.800 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -11.251 -4.367 -21.752 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -10.311 -3.419 -20.574 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -10.846 -2.668 -22.097 1.00 25.00 H new ATOM 353 N ASN B 3 -8.243 -1.474 -20.286 1.00 25.00 N ATOM 354 CA ASN B 3 -8.051 -1.010 -18.909 1.00 25.00 C ATOM 355 C ASN B 3 -8.942 -1.902 -18.019 1.00 25.00 C ATOM 356 O ASN B 3 -10.154 -2.029 -18.273 1.00 25.00 O ATOM 357 CB ASN B 3 -8.437 0.483 -18.854 1.00 25.00 C ATOM 358 CG ASN B 3 -7.378 1.373 -19.487 1.00 25.00 C ATOM 359 OD1 ASN B 3 -7.629 2.022 -20.503 1.00 25.00 O ATOM 360 ND2 ASN B 3 -6.196 1.427 -18.909 1.00 25.00 N ATOM 0 H ASN B 3 -8.751 -0.820 -20.881 1.00 25.00 H new ATOM 0 HA ASN B 3 -7.022 -1.088 -18.558 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -9.387 0.630 -19.367 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -8.586 0.780 -17.816 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -5.462 2.017 -19.302 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -6.014 0.879 -18.068 1.00 25.00 H new ATOM 367 N GLN B 4 -8.368 -2.510 -16.992 1.00 25.00 N ATOM 368 CA GLN B 4 -9.083 -3.396 -16.094 1.00 25.00 C ATOM 369 C GLN B 4 -8.467 -3.334 -14.684 1.00 25.00 C ATOM 370 O GLN B 4 -7.294 -2.968 -14.572 1.00 25.00 O ATOM 371 CB GLN B 4 -8.949 -4.847 -16.603 1.00 25.00 C ATOM 372 CG GLN B 4 -7.507 -5.372 -16.764 1.00 25.00 C ATOM 373 CD GLN B 4 -7.468 -6.874 -17.126 1.00 25.00 C ATOM 374 OE1 GLN B 4 -6.785 -7.669 -16.499 1.00 25.00 O ATOM 375 NE2 GLN B 4 -8.245 -7.264 -18.117 1.00 25.00 N ATOM 0 H GLN B 4 -7.381 -2.399 -16.758 1.00 25.00 H new ATOM 0 HA GLN B 4 -10.128 -3.088 -16.058 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -9.480 -5.504 -15.914 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.452 -4.922 -17.567 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -6.999 -4.800 -17.540 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -6.958 -5.209 -15.837 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -8.806 -6.580 -18.625 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -8.285 -8.250 -18.376 1.00 25.00 H new ATOM 384 N HIS B 5 -9.195 -3.747 -13.656 1.00 25.00 N ATOM 385 CA HIS B 5 -8.605 -3.762 -12.291 1.00 25.00 C ATOM 386 C HIS B 5 -7.540 -4.892 -12.185 1.00 25.00 C ATOM 387 O HIS B 5 -7.691 -5.959 -12.815 1.00 25.00 O ATOM 388 CB HIS B 5 -9.715 -4.029 -11.246 1.00 25.00 C ATOM 389 CG HIS B 5 -10.656 -2.866 -11.023 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.329 -1.760 -10.198 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.889 -2.596 -11.495 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.335 -0.923 -10.224 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.300 -1.406 -10.967 1.00 25.00 N ATOM 0 H HIS B 5 -10.161 -4.068 -13.717 1.00 25.00 H new ATOM 0 HA HIS B 5 -8.138 -2.796 -12.101 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.296 -4.895 -11.564 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -9.248 -4.290 -10.296 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.461 -1.638 -9.676 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.455 -3.215 -12.175 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.365 0.026 -9.709 1.00 25.00 H new ATOM 402 N LEU B 6 -6.493 -4.699 -11.393 1.00 25.00 N ATOM 403 CA LEU B 6 -5.452 -5.651 -11.223 1.00 25.00 C ATOM 404 C LEU B 6 -5.258 -5.854 -9.735 1.00 25.00 C ATOM 405 O LEU B 6 -4.975 -4.878 -9.037 1.00 25.00 O ATOM 406 CB LEU B 6 -4.154 -5.076 -11.844 1.00 25.00 C ATOM 407 CG LEU B 6 -4.194 -4.503 -13.283 1.00 25.00 C ATOM 408 CD1 LEU B 6 -2.961 -3.715 -13.592 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.274 -5.668 -14.310 1.00 25.00 C ATOM 0 H LEU B 6 -6.360 -3.848 -10.846 1.00 25.00 H new ATOM 0 HA LEU B 6 -5.695 -6.598 -11.705 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.798 -4.284 -11.185 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -3.404 -5.866 -11.826 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.068 -3.855 -13.351 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -3.022 -3.328 -14.609 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -2.875 -2.884 -12.892 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -2.086 -4.358 -13.501 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -4.302 -5.261 -15.321 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -3.400 -6.310 -14.201 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -5.177 -6.251 -14.129 1.00 25.00 H new ATOM 421 N CYS B 7 -5.411 -7.069 -9.242 1.00 25.00 N ATOM 422 CA CYS B 7 -5.344 -7.315 -7.767 1.00 25.00 C ATOM 423 C CYS B 7 -4.345 -8.451 -7.363 1.00 25.00 C ATOM 424 O CYS B 7 -4.592 -9.208 -6.442 1.00 25.00 O ATOM 425 CB CYS B 7 -6.713 -7.726 -7.239 1.00 25.00 C ATOM 426 SG CYS B 7 -8.017 -6.504 -7.557 1.00 25.00 S ATOM 0 H CYS B 7 -5.580 -7.902 -9.807 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.999 -6.375 -7.336 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -6.998 -8.675 -7.694 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -6.642 -7.897 -6.165 1.00 25.00 H new ATOM 431 N GLY B 8 -3.207 -8.552 -8.029 1.00 25.00 N ATOM 432 CA GLY B 8 -2.281 -9.587 -7.649 1.00 25.00 C ATOM 433 C GLY B 8 -1.421 -9.986 -8.841 1.00 25.00 C ATOM 434 O GLY B 8 -0.842 -9.135 -9.478 1.00 25.00 O ATOM 0 H GLY B 8 -2.916 -7.954 -8.803 1.00 25.00 H new ATOM 0 HA2 GLY B 8 -1.647 -9.237 -6.835 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -2.826 -10.455 -7.278 1.00 25.00 H new ATOM 438 N SER B 9 -1.384 -11.254 -9.214 1.00 25.00 N ATOM 439 CA SER B 9 -0.571 -11.651 -10.381 1.00 25.00 C ATOM 440 C SER B 9 -1.033 -11.001 -11.712 1.00 25.00 C ATOM 441 O SER B 9 -0.255 -10.918 -12.670 1.00 25.00 O ATOM 442 CB SER B 9 -0.587 -13.135 -10.552 1.00 25.00 C ATOM 443 OG SER B 9 -0.008 -13.771 -9.433 1.00 25.00 O ATOM 0 H SER B 9 -1.885 -12.013 -8.752 1.00 25.00 H new ATOM 0 HA SER B 9 0.436 -11.293 -10.168 1.00 25.00 H new ATOM 0 HB2 SER B 9 -1.613 -13.480 -10.683 1.00 25.00 H new ATOM 0 HB3 SER B 9 -0.041 -13.408 -11.455 1.00 25.00 H new ATOM 0 HG SER B 9 -0.029 -14.742 -9.562 1.00 25.00 H new ATOM 449 N HIS B 10 -2.240 -10.431 -11.769 1.00 25.00 N ATOM 450 CA HIS B 10 -2.645 -9.688 -12.956 1.00 25.00 C ATOM 451 C HIS B 10 -1.670 -8.500 -13.178 1.00 25.00 C ATOM 452 O HIS B 10 -1.372 -8.164 -14.311 1.00 25.00 O ATOM 453 CB HIS B 10 -4.124 -9.184 -12.868 1.00 25.00 C ATOM 454 CG HIS B 10 -5.133 -10.156 -13.387 1.00 25.00 C ATOM 455 ND1 HIS B 10 -6.250 -9.749 -14.139 1.00 25.00 N ATOM 456 CD2 HIS B 10 -5.221 -11.513 -13.336 1.00 25.00 C ATOM 457 CE1 HIS B 10 -6.982 -10.827 -14.438 1.00 25.00 C ATOM 458 NE2 HIS B 10 -6.359 -11.894 -13.991 1.00 25.00 N ATOM 0 H HIS B 10 -2.936 -10.470 -11.024 1.00 25.00 H new ATOM 0 HA HIS B 10 -2.599 -10.365 -13.809 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -4.357 -8.956 -11.828 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -4.213 -8.252 -13.427 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -4.513 -12.175 -12.860 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -7.928 -10.822 -14.960 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -6.675 -12.856 -14.113 1.00 25.00 H new ATOM 467 N LEU B 11 -1.144 -7.944 -12.097 1.00 25.00 N ATOM 468 CA LEU B 11 -0.263 -6.766 -12.206 1.00 25.00 C ATOM 469 C LEU B 11 1.033 -7.080 -12.960 1.00 25.00 C ATOM 470 O LEU B 11 1.347 -6.414 -13.923 1.00 25.00 O ATOM 471 CB LEU B 11 0.193 -6.202 -10.860 1.00 25.00 C ATOM 472 CG LEU B 11 -0.620 -5.094 -10.201 1.00 25.00 C ATOM 473 CD1 LEU B 11 -1.597 -5.587 -9.209 1.00 25.00 C ATOM 474 CD2 LEU B 11 0.338 -4.134 -9.541 1.00 25.00 C ATOM 0 H LEU B 11 -1.301 -8.274 -11.145 1.00 25.00 H new ATOM 0 HA LEU B 11 -0.886 -6.043 -12.732 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.244 -7.033 -10.157 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.210 -5.830 -10.988 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.204 -4.605 -10.981 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -2.139 -4.743 -8.781 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -2.301 -6.261 -9.696 1.00 25.00 H new ATOM 0 HD13 LEU B 11 -1.073 -6.121 -8.416 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -0.223 -3.332 -9.062 1.00 25.00 H new ATOM 0 HD22 LEU B 11 0.925 -4.664 -8.791 1.00 25.00 H new ATOM 0 HD23 LEU B 11 1.005 -3.712 -10.292 1.00 25.00 H new ATOM 486 N VAL B 12 1.740 -8.100 -12.536 1.00 25.00 N ATOM 487 CA VAL B 12 2.974 -8.439 -13.186 1.00 25.00 C ATOM 488 C VAL B 12 2.721 -8.910 -14.629 1.00 25.00 C ATOM 489 O VAL B 12 3.534 -8.642 -15.519 1.00 25.00 O ATOM 490 CB VAL B 12 3.687 -9.502 -12.330 1.00 25.00 C ATOM 491 CG1 VAL B 12 4.101 -8.883 -10.938 1.00 25.00 C ATOM 492 CG2 VAL B 12 2.817 -10.770 -12.064 1.00 25.00 C ATOM 0 H VAL B 12 1.483 -8.701 -11.753 1.00 25.00 H new ATOM 0 HA VAL B 12 3.619 -7.564 -13.268 1.00 25.00 H new ATOM 0 HB VAL B 12 4.561 -9.813 -12.902 1.00 25.00 H new ATOM 0 HG11 VAL B 12 4.605 -9.641 -10.338 1.00 25.00 H new ATOM 0 HG12 VAL B 12 4.775 -8.042 -11.100 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.210 -8.539 -10.413 1.00 25.00 H new ATOM 0 HG21 VAL B 12 3.381 -11.477 -11.455 1.00 25.00 H new ATOM 0 HG22 VAL B 12 1.907 -10.483 -11.537 1.00 25.00 H new ATOM 0 HG23 VAL B 12 2.555 -11.237 -13.013 1.00 25.00 H new ATOM 502 N GLU B 13 1.542 -9.485 -14.893 1.00 25.00 N ATOM 503 CA GLU B 13 1.235 -9.904 -16.252 1.00 25.00 C ATOM 504 C GLU B 13 0.960 -8.725 -17.160 1.00 25.00 C ATOM 505 O GLU B 13 1.316 -8.683 -18.350 1.00 25.00 O ATOM 506 CB GLU B 13 0.046 -10.848 -16.270 1.00 25.00 C ATOM 507 CG GLU B 13 0.427 -12.336 -16.186 1.00 25.00 C ATOM 508 CD GLU B 13 1.291 -12.811 -17.335 1.00 25.00 C ATOM 509 OE1 GLU B 13 0.919 -12.818 -18.440 1.00 25.00 O ATOM 510 OE2 GLU B 13 2.444 -13.308 -16.992 1.00 25.00 O ATOM 0 H GLU B 13 0.811 -9.664 -14.205 1.00 25.00 H new ATOM 0 HA GLU B 13 2.116 -10.424 -16.628 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -0.611 -10.604 -15.435 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -0.524 -10.681 -17.184 1.00 25.00 H new ATOM 0 HG2 GLU B 13 0.955 -12.514 -15.249 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.484 -12.934 -16.157 1.00 25.00 H new ATOM 518 N ALA B 14 0.377 -7.707 -16.581 1.00 25.00 N ATOM 519 CA ALA B 14 0.191 -6.462 -17.318 1.00 25.00 C ATOM 520 C ALA B 14 1.565 -5.829 -17.593 1.00 25.00 C ATOM 521 O ALA B 14 1.797 -5.376 -18.696 1.00 25.00 O ATOM 522 CB ALA B 14 -0.663 -5.517 -16.521 1.00 25.00 C ATOM 0 H ALA B 14 0.026 -7.703 -15.623 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.309 -6.669 -18.264 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.797 -4.590 -17.078 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -1.636 -5.973 -16.336 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -0.177 -5.301 -15.570 1.00 25.00 H new ATOM 528 N LEU B 15 2.439 -5.802 -16.626 1.00 25.00 N ATOM 529 CA LEU B 15 3.757 -5.223 -16.834 1.00 25.00 C ATOM 530 C LEU B 15 4.589 -6.012 -17.837 1.00 25.00 C ATOM 531 O LEU B 15 5.350 -5.446 -18.618 1.00 25.00 O ATOM 532 CB LEU B 15 4.504 -5.187 -15.519 1.00 25.00 C ATOM 533 CG LEU B 15 3.846 -4.382 -14.351 1.00 25.00 C ATOM 534 CD1 LEU B 15 4.818 -4.355 -13.160 1.00 25.00 C ATOM 535 CD2 LEU B 15 3.515 -2.913 -14.771 1.00 25.00 C ATOM 0 H LEU B 15 2.274 -6.169 -15.689 1.00 25.00 H new ATOM 0 HA LEU B 15 3.607 -4.219 -17.232 1.00 25.00 H new ATOM 0 HB2 LEU B 15 4.649 -6.214 -15.183 1.00 25.00 H new ATOM 0 HB3 LEU B 15 5.494 -4.769 -15.703 1.00 25.00 H new ATOM 0 HG LEU B 15 2.911 -4.874 -14.083 1.00 25.00 H new ATOM 0 HD11 LEU B 15 4.371 -3.796 -12.338 1.00 25.00 H new ATOM 0 HD12 LEU B 15 5.024 -5.375 -12.835 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.749 -3.875 -13.461 1.00 25.00 H new ATOM 0 HD21 LEU B 15 3.059 -2.388 -13.931 1.00 25.00 H new ATOM 0 HD22 LEU B 15 4.433 -2.402 -15.063 1.00 25.00 H new ATOM 0 HD23 LEU B 15 2.822 -2.922 -15.612 1.00 25.00 H new ATOM 547 N TYR B 16 4.406 -7.327 -17.811 1.00 25.00 N ATOM 548 CA TYR B 16 5.082 -8.207 -18.751 1.00 25.00 C ATOM 549 C TYR B 16 4.584 -7.969 -20.207 1.00 25.00 C ATOM 550 O TYR B 16 5.353 -7.985 -21.149 1.00 25.00 O ATOM 551 CB TYR B 16 4.891 -9.710 -18.398 1.00 25.00 C ATOM 552 CG TYR B 16 5.412 -10.685 -19.443 1.00 25.00 C ATOM 553 CD1 TYR B 16 6.767 -11.008 -19.508 1.00 25.00 C ATOM 554 CD2 TYR B 16 4.565 -11.256 -20.423 1.00 25.00 C ATOM 555 CE1 TYR B 16 7.271 -11.878 -20.510 1.00 25.00 C ATOM 556 CE2 TYR B 16 5.049 -12.103 -21.403 1.00 25.00 C ATOM 557 CZ TYR B 16 6.375 -12.414 -21.452 1.00 25.00 C ATOM 558 OH TYR B 16 6.870 -13.260 -22.461 1.00 25.00 O ATOM 0 H TYR B 16 3.795 -7.805 -17.149 1.00 25.00 H new ATOM 0 HA TYR B 16 6.142 -7.964 -18.679 1.00 25.00 H new ATOM 0 HB2 TYR B 16 5.392 -9.912 -17.452 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.829 -9.900 -18.243 1.00 25.00 H new ATOM 0 HD1 TYR B 16 7.447 -10.588 -18.781 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.510 -11.023 -20.405 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.322 -12.123 -20.548 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.372 -12.521 -22.134 1.00 25.00 H new ATOM 0 HH TYR B 16 6.131 -13.552 -23.035 1.00 25.00 H new ATOM 568 N LEU B 17 3.286 -7.751 -20.373 1.00 25.00 N ATOM 569 CA LEU B 17 2.728 -7.445 -21.685 1.00 25.00 C ATOM 570 C LEU B 17 2.977 -6.006 -22.114 1.00 25.00 C ATOM 571 O LEU B 17 3.086 -5.768 -23.289 1.00 25.00 O ATOM 572 CB LEU B 17 1.199 -7.688 -21.692 1.00 25.00 C ATOM 573 CG LEU B 17 0.761 -9.152 -21.543 1.00 25.00 C ATOM 574 CD1 LEU B 17 -0.765 -9.174 -21.349 1.00 25.00 C ATOM 575 CD2 LEU B 17 1.179 -9.948 -22.750 1.00 25.00 C ATOM 0 H LEU B 17 2.601 -7.780 -19.618 1.00 25.00 H new ATOM 0 HA LEU B 17 3.233 -8.108 -22.387 1.00 25.00 H new ATOM 0 HB2 LEU B 17 0.753 -7.110 -20.883 1.00 25.00 H new ATOM 0 HB3 LEU B 17 0.791 -7.298 -22.625 1.00 25.00 H new ATOM 0 HG LEU B 17 1.241 -9.611 -20.679 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.103 -10.205 -21.240 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.026 -8.610 -20.453 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.248 -8.723 -22.216 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.862 -10.984 -22.630 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.715 -9.527 -23.642 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.263 -9.910 -22.853 1.00 25.00 H new ATOM 587 N VAL B 18 2.982 -5.065 -21.180 1.00 25.00 N ATOM 588 CA VAL B 18 3.079 -3.639 -21.561 1.00 25.00 C ATOM 589 C VAL B 18 4.538 -3.267 -21.890 1.00 25.00 C ATOM 590 O VAL B 18 4.774 -2.409 -22.719 1.00 25.00 O ATOM 591 CB VAL B 18 2.442 -2.664 -20.474 1.00 25.00 C ATOM 592 CG1 VAL B 18 3.353 -2.420 -19.277 1.00 25.00 C ATOM 593 CG2 VAL B 18 1.951 -1.363 -21.107 1.00 25.00 C ATOM 0 H VAL B 18 2.922 -5.242 -20.177 1.00 25.00 H new ATOM 0 HA VAL B 18 2.482 -3.502 -22.462 1.00 25.00 H new ATOM 0 HB VAL B 18 1.570 -3.180 -20.073 1.00 25.00 H new ATOM 0 HG11 VAL B 18 2.859 -1.748 -18.575 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.566 -3.368 -18.783 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.286 -1.969 -19.616 1.00 25.00 H new ATOM 0 HG21 VAL B 18 1.523 -0.722 -20.336 1.00 25.00 H new ATOM 0 HG22 VAL B 18 2.788 -0.850 -21.581 1.00 25.00 H new ATOM 0 HG23 VAL B 18 1.191 -1.587 -21.856 1.00 25.00 H new ATOM 603 N CYS B 19 5.510 -3.905 -21.244 1.00 25.00 N ATOM 604 CA CYS B 19 6.954 -3.591 -21.491 1.00 25.00 C ATOM 605 C CYS B 19 7.708 -4.710 -22.175 1.00 25.00 C ATOM 606 O CYS B 19 8.345 -4.481 -23.236 1.00 25.00 O ATOM 607 CB CYS B 19 7.612 -3.285 -20.157 1.00 25.00 C ATOM 608 SG CYS B 19 6.831 -1.880 -19.331 1.00 25.00 S ATOM 0 H CYS B 19 5.350 -4.636 -20.551 1.00 25.00 H new ATOM 0 HA CYS B 19 6.991 -2.736 -22.167 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.555 -4.163 -19.513 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.670 -3.073 -20.313 1.00 25.00 H new ATOM 613 N GLY B 20 7.616 -5.922 -21.662 1.00 25.00 N ATOM 614 CA GLY B 20 8.310 -7.054 -22.267 1.00 25.00 C ATOM 615 C GLY B 20 9.690 -7.288 -21.648 1.00 25.00 C ATOM 616 O GLY B 20 9.845 -7.341 -20.441 1.00 25.00 O ATOM 0 H GLY B 20 7.071 -6.153 -20.831 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.705 -7.953 -22.150 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.419 -6.880 -23.338 1.00 25.00 H new ATOM 620 N GLU B 21 10.709 -7.447 -22.489 1.00 25.00 N ATOM 621 CA GLU B 21 12.059 -7.719 -22.006 1.00 25.00 C ATOM 622 C GLU B 21 12.663 -6.592 -21.152 1.00 25.00 C ATOM 623 O GLU B 21 13.447 -6.845 -20.257 1.00 25.00 O ATOM 624 CB GLU B 21 12.990 -7.996 -23.169 1.00 25.00 C ATOM 625 CG GLU B 21 12.513 -9.153 -24.156 1.00 25.00 C ATOM 626 CD GLU B 21 13.280 -9.178 -25.436 1.00 25.00 C ATOM 627 OE1 GLU B 21 13.142 -8.353 -26.281 1.00 25.00 O ATOM 628 OE2 GLU B 21 14.078 -10.162 -25.578 1.00 25.00 O ATOM 0 H GLU B 21 10.626 -7.392 -23.504 1.00 25.00 H new ATOM 0 HA GLU B 21 11.962 -8.593 -21.362 1.00 25.00 H new ATOM 0 HB2 GLU B 21 13.112 -7.078 -23.743 1.00 25.00 H new ATOM 0 HB3 GLU B 21 13.972 -8.258 -22.774 1.00 25.00 H new ATOM 0 HG2 GLU B 21 12.618 -10.116 -23.656 1.00 25.00 H new ATOM 0 HG3 GLU B 21 11.453 -9.022 -24.376 1.00 25.00 H new ATOM 636 N ARG B 22 12.266 -5.350 -21.384 1.00 25.00 N ATOM 637 CA ARG B 22 12.824 -4.229 -20.612 1.00 25.00 C ATOM 638 C ARG B 22 11.874 -3.881 -19.468 1.00 25.00 C ATOM 639 O ARG B 22 11.612 -2.750 -19.222 1.00 25.00 O ATOM 640 CB ARG B 22 13.008 -3.011 -21.519 1.00 25.00 C ATOM 641 CG ARG B 22 14.089 -3.213 -22.635 1.00 25.00 C ATOM 642 CD ARG B 22 14.258 -1.962 -23.522 1.00 25.00 C ATOM 643 NE ARG B 22 13.062 -1.860 -24.313 1.00 25.00 N ATOM 644 CZ ARG B 22 12.809 -1.004 -25.288 1.00 25.00 C ATOM 645 NH1 ARG B 22 13.628 -0.063 -25.670 1.00 25.00 N ATOM 646 NH2 ARG B 22 11.639 -1.099 -25.867 1.00 25.00 N ATOM 0 H ARG B 22 11.573 -5.086 -22.085 1.00 25.00 H new ATOM 0 HA ARG B 22 13.794 -4.517 -20.206 1.00 25.00 H new ATOM 0 HB2 ARG B 22 12.054 -2.772 -21.989 1.00 25.00 H new ATOM 0 HB3 ARG B 22 13.286 -2.153 -20.907 1.00 25.00 H new ATOM 0 HG2 ARG B 22 15.045 -3.458 -22.172 1.00 25.00 H new ATOM 0 HG3 ARG B 22 13.810 -4.062 -23.258 1.00 25.00 H new ATOM 0 HD2 ARG B 22 14.397 -1.069 -22.912 1.00 25.00 H new ATOM 0 HD3 ARG B 22 15.138 -2.053 -24.159 1.00 25.00 H new ATOM 0 HE ARG B 22 12.321 -2.527 -24.096 1.00 25.00 H new ATOM 0 HH11 ARG B 22 14.530 0.047 -25.207 1.00 25.00 H new ATOM 0 HH12 ARG B 22 13.366 0.563 -26.431 1.00 25.00 H new ATOM 0 HH21 ARG B 22 10.974 -1.809 -25.560 1.00 25.00 H new ATOM 0 HH22 ARG B 22 11.392 -0.463 -26.625 1.00 25.00 H new ATOM 660 N GLY B 23 11.303 -4.887 -18.889 1.00 25.00 N ATOM 661 CA GLY B 23 10.215 -4.714 -17.922 1.00 25.00 C ATOM 662 C GLY B 23 10.611 -4.314 -16.510 1.00 25.00 C ATOM 663 O GLY B 23 11.591 -3.616 -16.224 1.00 25.00 O ATOM 0 H GLY B 23 11.561 -5.859 -19.058 1.00 25.00 H new ATOM 0 HA2 GLY B 23 9.532 -3.958 -18.310 1.00 25.00 H new ATOM 0 HA3 GLY B 23 9.658 -5.649 -17.867 1.00 25.00 H new ATOM 667 N PHE B 24 9.770 -4.698 -15.606 1.00 25.00 N ATOM 668 CA PHE B 24 9.859 -4.353 -14.183 1.00 25.00 C ATOM 669 C PHE B 24 10.903 -5.189 -13.529 1.00 25.00 C ATOM 670 O PHE B 24 11.311 -6.230 -14.090 1.00 25.00 O ATOM 671 CB PHE B 24 8.513 -4.588 -13.555 1.00 25.00 C ATOM 672 CG PHE B 24 8.089 -6.031 -13.509 1.00 25.00 C ATOM 673 CD1 PHE B 24 7.462 -6.637 -14.620 1.00 25.00 C ATOM 674 CD2 PHE B 24 8.256 -6.777 -12.334 1.00 25.00 C ATOM 675 CE1 PHE B 24 6.995 -8.027 -14.561 1.00 25.00 C ATOM 676 CE2 PHE B 24 7.762 -8.119 -12.272 1.00 25.00 C ATOM 677 CZ PHE B 24 7.170 -8.737 -13.368 1.00 25.00 C ATOM 0 H PHE B 24 8.964 -5.284 -15.824 1.00 25.00 H new ATOM 0 HA PHE B 24 10.138 -3.307 -14.059 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.527 -4.194 -12.539 1.00 25.00 H new ATOM 0 HB3 PHE B 24 7.764 -4.020 -14.107 1.00 25.00 H new ATOM 0 HD1 PHE B 24 7.324 -6.068 -15.528 1.00 25.00 H new ATOM 0 HD2 PHE B 24 8.754 -6.342 -11.481 1.00 25.00 H new ATOM 0 HE1 PHE B 24 6.528 -8.491 -15.417 1.00 25.00 H new ATOM 0 HE2 PHE B 24 7.852 -8.668 -11.346 1.00 25.00 H new ATOM 0 HZ PHE B 24 6.845 -9.765 -13.298 1.00 25.00 H new ATOM 687 N PHE B 25 11.234 -4.861 -12.293 1.00 25.00 N ATOM 688 CA PHE B 25 12.100 -5.678 -11.440 1.00 25.00 C ATOM 689 C PHE B 25 11.377 -5.958 -10.100 1.00 25.00 C ATOM 690 O PHE B 25 10.953 -5.023 -9.421 1.00 25.00 O ATOM 691 CB PHE B 25 13.430 -4.994 -11.186 1.00 25.00 C ATOM 692 CG PHE B 25 14.312 -5.782 -10.250 1.00 25.00 C ATOM 693 CD1 PHE B 25 14.237 -5.566 -8.840 1.00 25.00 C ATOM 694 CD2 PHE B 25 15.236 -6.735 -10.740 1.00 25.00 C ATOM 695 CE1 PHE B 25 15.084 -6.324 -7.942 1.00 25.00 C ATOM 696 CE2 PHE B 25 16.066 -7.445 -9.849 1.00 25.00 C ATOM 697 CZ PHE B 25 16.005 -7.253 -8.453 1.00 25.00 C ATOM 0 H PHE B 25 10.907 -4.007 -11.840 1.00 25.00 H new ATOM 0 HA PHE B 25 12.306 -6.618 -11.952 1.00 25.00 H new ATOM 0 HB2 PHE B 25 13.948 -4.850 -12.134 1.00 25.00 H new ATOM 0 HB3 PHE B 25 13.252 -4.004 -10.766 1.00 25.00 H new ATOM 0 HD1 PHE B 25 13.547 -4.836 -8.443 1.00 25.00 H new ATOM 0 HD2 PHE B 25 15.306 -6.919 -11.802 1.00 25.00 H new ATOM 0 HE1 PHE B 25 15.007 -6.174 -6.875 1.00 25.00 H new ATOM 0 HE2 PHE B 25 16.771 -8.159 -10.248 1.00 25.00 H new ATOM 0 HZ PHE B 25 16.653 -7.809 -7.791 1.00 25.00 H new HETATM 707 N NVA B 26 11.333 -7.287 -9.777 1.00 25.00 N HETATM 708 CA NVA B 26 10.774 -7.832 -8.538 1.00 25.00 C HETATM 709 CB NVA B 26 9.600 -8.847 -8.827 1.00 25.00 C HETATM 710 CG NVA B 26 8.699 -9.091 -7.554 1.00 25.00 C HETATM 711 CD NVA B 26 7.705 -10.244 -7.820 1.00 25.00 C HETATM 712 C NVA B 26 11.889 -8.514 -7.769 1.00 25.00 C HETATM 713 O NVA B 26 12.750 -9.227 -8.325 1.00 25.00 O HETATM 0 HG3 NVA B 26 9.326 -9.332 -6.696 1.00 25.00 H new HETATM 0 HG2 NVA B 26 8.154 -8.181 -7.305 1.00 25.00 H new HETATM 0 HD3 NVA B 26 7.067 -9.987 -8.665 1.00 25.00 H new HETATM 0 HB3 NVA B 26 8.983 -8.464 -9.640 1.00 25.00 H new HETATM 0 HB2 NVA B 26 10.017 -9.796 -9.163 1.00 25.00 H new HETATM 0 HA NVA B 26 10.352 -7.018 -7.948 1.00 25.00 H new ATOM 722 N THR B 27 11.894 -8.330 -6.429 1.00 25.00 N ATOM 723 CA THR B 27 12.852 -8.964 -5.555 1.00 25.00 C ATOM 724 C THR B 27 12.484 -10.475 -5.526 1.00 25.00 C ATOM 725 O THR B 27 11.350 -10.868 -5.832 1.00 25.00 O ATOM 726 CB THR B 27 12.732 -8.314 -4.179 1.00 25.00 C ATOM 727 OG1 THR B 27 11.367 -8.047 -3.844 1.00 25.00 O ATOM 728 CG2 THR B 27 13.457 -6.966 -4.146 1.00 25.00 C ATOM 0 H THR B 27 11.225 -7.733 -5.943 1.00 25.00 H new ATOM 0 HA THR B 27 13.884 -8.852 -5.887 1.00 25.00 H new ATOM 0 HB THR B 27 13.172 -9.017 -3.472 1.00 25.00 H new ATOM 0 HG1 THR B 27 11.323 -7.633 -2.957 1.00 25.00 H new ATOM 0 HG21 THR B 27 13.357 -6.523 -3.155 1.00 25.00 H new ATOM 0 HG22 THR B 27 14.513 -7.115 -4.372 1.00 25.00 H new ATOM 0 HG23 THR B 27 13.018 -6.299 -4.888 1.00 25.00 H new ATOM 736 N PRO B 28 13.461 -11.356 -5.200 1.00 25.00 N ATOM 737 CA PRO B 28 13.072 -12.765 -5.269 1.00 25.00 C ATOM 738 C PRO B 28 12.020 -13.196 -4.235 1.00 25.00 C ATOM 739 O PRO B 28 12.223 -13.053 -3.040 1.00 25.00 O ATOM 740 CB PRO B 28 14.409 -13.470 -5.042 1.00 25.00 C ATOM 741 CG PRO B 28 15.225 -12.537 -4.181 1.00 25.00 C ATOM 742 CD PRO B 28 14.862 -11.179 -4.772 1.00 25.00 C ATOM 0 HA PRO B 28 12.578 -13.005 -6.210 1.00 25.00 H new ATOM 0 HB2 PRO B 28 14.265 -14.432 -4.549 1.00 25.00 H new ATOM 0 HB3 PRO B 28 14.912 -13.669 -5.988 1.00 25.00 H new ATOM 0 HG2 PRO B 28 14.956 -12.611 -3.127 1.00 25.00 H new ATOM 0 HG3 PRO B 28 16.293 -12.743 -4.252 1.00 25.00 H new ATOM 0 HD2 PRO B 28 14.959 -10.381 -4.036 1.00 25.00 H new ATOM 0 HD3 PRO B 28 15.509 -10.920 -5.610 1.00 25.00 H new HETATM 750 N HIX B 29 10.877 -13.653 -4.767 1.00 25.00 N HETATM 751 CA HIX B 29 9.711 -14.174 -3.986 1.00 25.00 C HETATM 752 C HIX B 29 10.086 -15.514 -3.395 1.00 25.00 C HETATM 753 O HIX B 29 10.524 -16.480 -4.035 1.00 25.00 O HETATM 754 CB HIX B 29 8.436 -14.316 -4.884 1.00 25.00 C HETATM 755 CG HIX B 29 7.983 -12.943 -5.441 1.00 25.00 C HETATM 756 CD2 HIX B 29 8.332 -12.452 -6.702 1.00 25.00 C HETATM 757 ND1 HIX B 29 7.158 -11.984 -4.892 1.00 25.00 N HETATM 758 NE1 HIX B 29 6.942 -10.865 -5.677 1.00 25.00 N HETATM 759 NE2 HIX B 29 7.695 -11.255 -6.789 1.00 25.00 N ATOM 766 N THR B 30 9.934 -15.598 -2.033 1.00 25.00 N ATOM 767 CA THR B 30 10.232 -16.793 -1.228 1.00 25.00 C ATOM 768 C THR B 30 9.166 -17.059 -0.195 1.00 25.00 C ATOM 769 O THR B 30 8.624 -16.262 0.494 1.00 25.00 O ATOM 770 CB THR B 30 11.618 -16.695 -0.568 1.00 25.00 C ATOM 771 OG1 THR B 30 11.758 -15.545 0.274 1.00 25.00 O ATOM 772 CG2 THR B 30 12.732 -16.617 -1.605 1.00 25.00 C ATOM 773 OXT THR B 30 8.857 -18.297 -0.123 1.00 25.00 O ATOM 0 H THR B 30 9.595 -14.816 -1.473 1.00 25.00 H new ATOM 0 HA THR B 30 10.242 -17.640 -1.914 1.00 25.00 H new ATOM 0 HB THR B 30 11.701 -17.602 0.031 1.00 25.00 H new ATOM 0 HG1 THR B 30 12.656 -15.535 0.667 1.00 25.00 H new ATOM 0 HG21 THR B 30 13.695 -16.549 -1.100 1.00 25.00 H new ATOM 0 HG22 THR B 30 12.712 -17.511 -2.229 1.00 25.00 H new ATOM 0 HG23 THR B 30 12.587 -15.736 -2.229 1.00 25.00 H new TER 782 THR B 30