USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 374 hydrogens (15 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 Set 1.1: A 12 SER OG : rot 75:sc= 0.0155 USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 15 GLN : amide:sc= 0.524 K(o=0.54,f=-3.5!) USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.058 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 8 THR OG1 : rot -87:sc= 0.825 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 19 TYR OH : rot -130:sc= -0.289 USER MOD Single : A 21 ASN : amide:sc= -1.14 X(o=-1.1,f=-1) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0568 K(o=-0.057,f=-1.1) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.16 K(o=-0.16,f=-1.1) USER MOD Single : B 9 SER OG : rot -29:sc= 0.302 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.105 USER MOD Single : B 30 THR OG1 : rot -34:sc= 0.491 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.319 0.459 -0.509 1.00 25.00 N ATOM 2 CA GLY A 1 -0.068 0.090 -1.188 1.00 25.00 C ATOM 3 C GLY A 1 -0.346 -0.620 -2.488 1.00 25.00 C ATOM 4 O GLY A 1 -1.311 -1.341 -2.533 1.00 25.00 O ATOM 0 H1 GLY A 1 -1.202 0.348 0.518 1.00 25.00 H new ATOM 0 H2 GLY A 1 -1.553 1.449 -0.726 1.00 25.00 H new ATOM 0 H3 GLY A 1 -2.088 -0.158 -0.839 1.00 25.00 H new ATOM 0 HA2 GLY A 1 0.524 0.985 -1.378 1.00 25.00 H new ATOM 0 HA3 GLY A 1 0.526 -0.553 -0.539 1.00 25.00 H new ATOM 10 N ILE A 2 0.467 -0.393 -3.512 1.00 25.00 N ATOM 11 CA ILE A 2 0.184 -0.841 -4.897 1.00 25.00 C ATOM 12 C ILE A 2 0.062 -2.355 -5.069 1.00 25.00 C ATOM 13 O ILE A 2 -0.745 -2.793 -5.845 1.00 25.00 O ATOM 14 CB ILE A 2 1.258 -0.265 -5.911 1.00 25.00 C ATOM 15 CG1 ILE A 2 0.776 -0.518 -7.374 1.00 25.00 C ATOM 16 CG2 ILE A 2 2.692 -0.920 -5.688 1.00 25.00 C ATOM 17 CD1 ILE A 2 1.593 0.113 -8.493 1.00 25.00 C ATOM 0 H ILE A 2 1.350 0.109 -3.419 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.802 -0.435 -5.124 1.00 25.00 H new ATOM 0 HB ILE A 2 1.356 0.806 -5.731 1.00 25.00 H new ATOM 0 HG12 ILE A 2 0.750 -1.595 -7.540 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -0.249 -0.158 -7.459 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.399 -0.499 -6.402 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.033 -0.712 -4.674 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.626 -1.998 -5.835 1.00 25.00 H new ATOM 0 HD11 ILE A 2 1.149 -0.142 -9.456 1.00 25.00 H new ATOM 0 HD12 ILE A 2 1.600 1.196 -8.372 1.00 25.00 H new ATOM 0 HD13 ILE A 2 2.615 -0.263 -8.454 1.00 25.00 H new ATOM 29 N VAL A 3 0.790 -3.143 -4.300 1.00 25.00 N ATOM 30 CA VAL A 3 0.695 -4.587 -4.424 1.00 25.00 C ATOM 31 C VAL A 3 -0.632 -5.051 -3.881 1.00 25.00 C ATOM 32 O VAL A 3 -1.308 -5.861 -4.476 1.00 25.00 O ATOM 33 CB VAL A 3 1.867 -5.303 -3.674 1.00 25.00 C ATOM 34 CG1 VAL A 3 1.789 -6.833 -3.816 1.00 25.00 C ATOM 35 CG2 VAL A 3 3.197 -4.800 -4.198 1.00 25.00 C ATOM 0 H VAL A 3 1.446 -2.814 -3.591 1.00 25.00 H new ATOM 0 HA VAL A 3 0.771 -4.848 -5.480 1.00 25.00 H new ATOM 0 HB VAL A 3 1.777 -5.066 -2.614 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.621 -7.291 -3.281 1.00 25.00 H new ATOM 0 HG12 VAL A 3 0.848 -7.190 -3.398 1.00 25.00 H new ATOM 0 HG13 VAL A 3 1.843 -7.104 -4.870 1.00 25.00 H new ATOM 0 HG21 VAL A 3 4.009 -5.302 -3.672 1.00 25.00 H new ATOM 0 HG22 VAL A 3 3.271 -5.011 -5.265 1.00 25.00 H new ATOM 0 HG23 VAL A 3 3.269 -3.725 -4.035 1.00 25.00 H new ATOM 45 N GLU A 4 -1.041 -4.504 -2.753 1.00 25.00 N ATOM 46 CA GLU A 4 -2.255 -4.993 -2.132 1.00 25.00 C ATOM 47 C GLU A 4 -3.451 -4.603 -3.000 1.00 25.00 C ATOM 48 O GLU A 4 -4.409 -5.337 -3.121 1.00 25.00 O ATOM 49 CB GLU A 4 -2.339 -4.427 -0.730 1.00 25.00 C ATOM 50 CG GLU A 4 -3.238 -5.234 0.171 1.00 25.00 C ATOM 51 CD GLU A 4 -4.676 -4.788 0.160 1.00 25.00 C ATOM 52 OE1 GLU A 4 -4.998 -3.798 -0.511 1.00 25.00 O ATOM 53 OE2 GLU A 4 -5.465 -5.404 0.924 1.00 25.00 O ATOM 0 H GLU A 4 -0.569 -3.746 -2.261 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.255 -6.080 -2.052 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.339 -4.388 -0.298 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.706 -3.402 -0.778 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.191 -6.281 -0.129 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -2.858 -5.177 1.191 1.00 25.00 H new ATOM 60 N GLN A 5 -3.330 -3.470 -3.669 1.00 25.00 N ATOM 61 CA GLN A 5 -4.364 -2.978 -4.555 1.00 25.00 C ATOM 62 C GLN A 5 -4.497 -3.780 -5.801 1.00 25.00 C ATOM 63 O GLN A 5 -5.564 -4.146 -6.214 1.00 25.00 O ATOM 64 CB GLN A 5 -4.012 -1.534 -4.889 1.00 25.00 C ATOM 65 CG GLN A 5 -5.144 -0.756 -5.546 1.00 25.00 C ATOM 66 CD GLN A 5 -4.823 0.706 -5.672 1.00 25.00 C ATOM 67 OE1 GLN A 5 -3.680 1.124 -5.400 1.00 25.00 O ATOM 68 NE2 GLN A 5 -5.814 1.500 -6.104 1.00 25.00 N ATOM 0 H GLN A 5 -2.510 -2.866 -3.611 1.00 25.00 H new ATOM 0 HA GLN A 5 -5.329 -3.056 -4.054 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -3.717 -1.022 -3.973 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -3.147 -1.526 -5.552 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -5.342 -1.170 -6.535 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -6.055 -0.878 -4.961 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -6.731 1.104 -6.312 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -5.651 2.500 -6.225 1.00 25.00 H new ATOM 77 N CYS A 6 -3.334 -4.132 -6.358 1.00 25.00 N ATOM 78 CA CYS A 6 -3.254 -4.927 -7.547 1.00 25.00 C ATOM 79 C CYS A 6 -3.836 -6.346 -7.331 1.00 25.00 C ATOM 80 O CYS A 6 -4.373 -6.991 -8.235 1.00 25.00 O ATOM 81 CB CYS A 6 -1.819 -5.017 -7.992 1.00 25.00 C ATOM 82 SG CYS A 6 -1.512 -5.786 -9.625 1.00 25.00 S ATOM 0 H CYS A 6 -2.426 -3.862 -5.980 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.852 -4.444 -8.320 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.403 -4.009 -8.007 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -1.264 -5.580 -7.241 1.00 25.00 H new ATOM 87 N CYS A 7 -3.714 -6.809 -6.105 1.00 25.00 N ATOM 88 CA CYS A 7 -4.271 -8.092 -5.744 1.00 25.00 C ATOM 89 C CYS A 7 -5.792 -7.952 -5.610 1.00 25.00 C ATOM 90 O CYS A 7 -6.552 -8.691 -6.217 1.00 25.00 O ATOM 91 CB CYS A 7 -3.727 -8.569 -4.394 1.00 25.00 C ATOM 92 SG CYS A 7 -4.556 -10.038 -3.696 1.00 25.00 S ATOM 0 H CYS A 7 -3.238 -6.319 -5.348 1.00 25.00 H new ATOM 0 HA CYS A 7 -4.001 -8.811 -6.518 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -2.665 -8.790 -4.506 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -3.809 -7.751 -3.678 1.00 25.00 H new ATOM 97 N THR A 8 -6.257 -7.100 -4.701 1.00 25.00 N ATOM 98 CA THR A 8 -7.659 -7.097 -4.287 1.00 25.00 C ATOM 99 C THR A 8 -8.644 -6.493 -5.262 1.00 25.00 C ATOM 100 O THR A 8 -9.789 -6.263 -4.912 1.00 25.00 O ATOM 101 CB THR A 8 -7.762 -6.361 -2.962 1.00 25.00 C ATOM 102 OG1 THR A 8 -7.246 -5.037 -3.144 1.00 25.00 O ATOM 103 CG2 THR A 8 -6.949 -7.146 -1.869 1.00 25.00 C ATOM 0 H THR A 8 -5.681 -6.399 -4.234 1.00 25.00 H new ATOM 0 HA THR A 8 -7.944 -8.147 -4.220 1.00 25.00 H new ATOM 0 HB THR A 8 -8.798 -6.296 -2.629 1.00 25.00 H new ATOM 0 HG1 THR A 8 -6.276 -5.041 -3.002 1.00 25.00 H new ATOM 0 HG21 THR A 8 -7.020 -6.621 -0.916 1.00 25.00 H new ATOM 0 HG22 THR A 8 -7.359 -8.150 -1.762 1.00 25.00 H new ATOM 0 HG23 THR A 8 -5.903 -7.211 -2.170 1.00 25.00 H new ATOM 111 N SER A 9 -8.170 -6.265 -6.483 1.00 25.00 N ATOM 112 CA SER A 9 -8.981 -5.707 -7.556 1.00 25.00 C ATOM 113 C SER A 9 -8.492 -6.174 -8.927 1.00 25.00 C ATOM 114 O SER A 9 -7.433 -6.775 -9.060 1.00 25.00 O ATOM 115 CB SER A 9 -8.928 -4.190 -7.496 1.00 25.00 C ATOM 116 OG SER A 9 -9.472 -3.658 -6.265 1.00 25.00 O ATOM 0 H SER A 9 -7.207 -6.464 -6.756 1.00 25.00 H new ATOM 0 HA SER A 9 -10.005 -6.055 -7.421 1.00 25.00 H new ATOM 0 HB2 SER A 9 -7.894 -3.863 -7.602 1.00 25.00 H new ATOM 0 HB3 SER A 9 -9.481 -3.778 -8.340 1.00 25.00 H new ATOM 0 HG SER A 9 -9.413 -2.680 -6.277 1.00 25.00 H new ATOM 122 N ILE A 10 -9.229 -5.782 -9.957 1.00 25.00 N ATOM 123 CA ILE A 10 -8.735 -5.905 -11.322 1.00 25.00 C ATOM 124 C ILE A 10 -7.580 -4.932 -11.336 1.00 25.00 C ATOM 125 O ILE A 10 -7.764 -3.746 -11.044 1.00 25.00 O ATOM 126 CB ILE A 10 -9.841 -5.509 -12.405 1.00 25.00 C ATOM 127 CG1 ILE A 10 -11.018 -6.513 -12.374 1.00 25.00 C ATOM 128 CG2 ILE A 10 -9.241 -5.390 -13.824 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.647 -7.959 -12.862 1.00 25.00 C ATOM 0 H ILE A 10 -10.163 -5.380 -9.876 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.456 -6.926 -11.583 1.00 25.00 H new ATOM 0 HB ILE A 10 -10.225 -4.524 -12.140 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -11.402 -6.573 -11.356 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -11.825 -6.128 -12.997 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -10.026 -5.119 -14.530 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -8.468 -4.621 -13.829 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.805 -6.345 -14.116 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.528 -8.598 -12.808 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.292 -7.916 -13.892 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -9.863 -8.368 -12.225 1.00 25.00 H new ATOM 141 N CYS A 11 -6.389 -5.443 -11.638 1.00 25.00 N ATOM 142 CA CYS A 11 -5.184 -4.598 -11.666 1.00 25.00 C ATOM 143 C CYS A 11 -5.164 -3.815 -12.968 1.00 25.00 C ATOM 144 O CYS A 11 -5.263 -4.400 -14.065 1.00 25.00 O ATOM 145 CB CYS A 11 -3.897 -5.440 -11.506 1.00 25.00 C ATOM 146 SG CYS A 11 -2.411 -4.516 -10.942 1.00 25.00 S ATOM 0 H CYS A 11 -6.226 -6.424 -11.865 1.00 25.00 H new ATOM 0 HA CYS A 11 -5.215 -3.906 -10.824 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.095 -6.243 -10.796 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.670 -5.910 -12.463 1.00 25.00 H new ATOM 151 N SER A 12 -5.149 -2.476 -12.856 1.00 25.00 N ATOM 152 CA SER A 12 -5.263 -1.657 -14.038 1.00 25.00 C ATOM 153 C SER A 12 -3.942 -1.637 -14.781 1.00 25.00 C ATOM 154 O SER A 12 -2.896 -1.815 -14.234 1.00 25.00 O ATOM 155 CB SER A 12 -5.642 -0.216 -13.633 1.00 25.00 C ATOM 156 OG SER A 12 -6.662 -0.163 -12.634 1.00 25.00 O ATOM 0 H SER A 12 -5.061 -1.964 -11.978 1.00 25.00 H new ATOM 0 HA SER A 12 -6.035 -2.072 -14.686 1.00 25.00 H new ATOM 0 HB2 SER A 12 -4.754 0.297 -13.264 1.00 25.00 H new ATOM 0 HB3 SER A 12 -5.979 0.326 -14.516 1.00 25.00 H new ATOM 0 HG SER A 12 -6.283 -0.412 -11.766 1.00 25.00 H new ATOM 162 N LEU A 13 -4.043 -1.464 -16.096 1.00 25.00 N ATOM 163 CA LEU A 13 -2.870 -1.494 -16.974 1.00 25.00 C ATOM 164 C LEU A 13 -1.815 -0.469 -16.593 1.00 25.00 C ATOM 165 O LEU A 13 -0.667 -0.741 -16.590 1.00 25.00 O ATOM 166 CB LEU A 13 -3.303 -1.243 -18.402 1.00 25.00 C ATOM 167 CG LEU A 13 -2.261 -1.426 -19.509 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.694 -2.785 -19.491 1.00 25.00 C ATOM 169 CD2 LEU A 13 -2.844 -1.076 -20.825 1.00 25.00 C ATOM 0 H LEU A 13 -4.926 -1.301 -16.581 1.00 25.00 H new ATOM 0 HA LEU A 13 -2.420 -2.481 -16.866 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -4.141 -1.905 -18.619 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -3.680 -0.222 -18.463 1.00 25.00 H new ATOM 0 HG LEU A 13 -1.431 -0.743 -19.325 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -0.958 -2.883 -20.289 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -1.213 -2.966 -18.530 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -2.491 -3.514 -19.641 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -2.093 -1.210 -21.603 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -3.697 -1.723 -21.029 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -3.172 -0.037 -20.813 1.00 25.00 H new ATOM 181 N TYR A 14 -2.225 0.729 -16.228 1.00 25.00 N ATOM 182 CA TYR A 14 -1.258 1.741 -15.835 1.00 25.00 C ATOM 183 C TYR A 14 -0.605 1.380 -14.469 1.00 25.00 C ATOM 184 O TYR A 14 0.527 1.710 -14.218 1.00 25.00 O ATOM 185 CB TYR A 14 -1.901 3.137 -15.769 1.00 25.00 C ATOM 186 CG TYR A 14 -3.202 3.213 -15.010 1.00 25.00 C ATOM 187 CD1 TYR A 14 -4.430 3.008 -15.659 1.00 25.00 C ATOM 188 CD2 TYR A 14 -3.229 3.473 -13.633 1.00 25.00 C ATOM 189 CE1 TYR A 14 -5.681 3.132 -14.942 1.00 25.00 C ATOM 190 CE2 TYR A 14 -4.494 3.554 -12.908 1.00 25.00 C ATOM 191 CZ TYR A 14 -5.692 3.370 -13.557 1.00 25.00 C ATOM 192 OH TYR A 14 -6.890 3.431 -12.896 1.00 25.00 O ATOM 0 H TYR A 14 -3.201 1.025 -16.194 1.00 25.00 H new ATOM 0 HA TYR A 14 -0.480 1.765 -16.598 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -1.191 3.824 -15.310 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -2.072 3.488 -16.787 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -4.441 2.754 -16.709 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -2.300 3.616 -13.100 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -6.615 3.041 -15.476 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -4.488 3.761 -11.848 1.00 25.00 H new ATOM 0 HH TYR A 14 -6.730 3.601 -11.944 1.00 25.00 H new ATOM 202 N GLN A 15 -1.306 0.641 -13.628 1.00 25.00 N ATOM 203 CA GLN A 15 -0.758 0.184 -12.358 1.00 25.00 C ATOM 204 C GLN A 15 0.242 -0.902 -12.671 1.00 25.00 C ATOM 205 O GLN A 15 1.351 -0.913 -12.139 1.00 25.00 O ATOM 206 CB GLN A 15 -1.842 -0.398 -11.444 1.00 25.00 C ATOM 207 CG GLN A 15 -2.862 0.632 -10.985 1.00 25.00 C ATOM 208 CD GLN A 15 -3.951 0.073 -10.080 1.00 25.00 C ATOM 209 OE1 GLN A 15 -4.511 -0.963 -10.351 1.00 25.00 O ATOM 210 NE2 GLN A 15 -4.315 0.792 -9.072 1.00 25.00 N ATOM 0 H GLN A 15 -2.265 0.341 -13.802 1.00 25.00 H new ATOM 0 HA GLN A 15 -0.306 1.029 -11.839 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -2.359 -1.200 -11.971 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -1.368 -0.844 -10.569 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -2.342 1.431 -10.457 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -3.329 1.080 -11.862 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -3.826 1.663 -8.864 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -5.091 0.489 -8.484 1.00 25.00 H new ATOM 219 N LEU A 16 -0.120 -1.778 -13.612 1.00 25.00 N ATOM 220 CA LEU A 16 0.754 -2.848 -14.075 1.00 25.00 C ATOM 221 C LEU A 16 2.007 -2.270 -14.670 1.00 25.00 C ATOM 222 O LEU A 16 3.099 -2.589 -14.234 1.00 25.00 O ATOM 223 CB LEU A 16 -0.001 -3.671 -15.100 1.00 25.00 C ATOM 224 CG LEU A 16 0.543 -5.008 -15.565 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.546 -5.535 -16.510 1.00 25.00 C ATOM 226 CD2 LEU A 16 1.879 -5.046 -16.296 1.00 25.00 C ATOM 0 H LEU A 16 -1.030 -1.761 -14.072 1.00 25.00 H new ATOM 0 HA LEU A 16 1.046 -3.485 -13.240 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -0.997 -3.852 -14.697 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -0.124 -3.048 -15.986 1.00 25.00 H new ATOM 0 HG LEU A 16 0.760 -5.591 -14.670 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -0.247 -6.506 -16.904 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -1.483 -5.638 -15.963 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.682 -4.835 -17.335 1.00 25.00 H new ATOM 0 HD21 LEU A 16 2.121 -6.076 -16.558 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.814 -4.446 -17.204 1.00 25.00 H new ATOM 0 HD23 LEU A 16 2.659 -4.643 -15.650 1.00 25.00 H new ATOM 238 N GLU A 17 1.848 -1.307 -15.563 1.00 25.00 N ATOM 239 CA GLU A 17 2.978 -0.569 -16.128 1.00 25.00 C ATOM 240 C GLU A 17 3.837 0.179 -15.109 1.00 25.00 C ATOM 241 O GLU A 17 5.015 0.396 -15.357 1.00 25.00 O ATOM 242 CB GLU A 17 2.499 0.459 -17.161 1.00 25.00 C ATOM 243 CG GLU A 17 2.087 -0.114 -18.468 1.00 25.00 C ATOM 244 CD GLU A 17 1.759 0.965 -19.467 1.00 25.00 C ATOM 245 OE1 GLU A 17 0.781 1.734 -19.199 1.00 25.00 O ATOM 246 OE2 GLU A 17 2.368 1.007 -20.527 1.00 25.00 O ATOM 0 H GLU A 17 0.939 -1.012 -15.919 1.00 25.00 H new ATOM 0 HA GLU A 17 3.597 -1.345 -16.578 1.00 25.00 H new ATOM 0 HB2 GLU A 17 1.658 1.010 -16.741 1.00 25.00 H new ATOM 0 HB3 GLU A 17 3.298 1.180 -17.332 1.00 25.00 H new ATOM 0 HG2 GLU A 17 2.887 -0.742 -18.859 1.00 25.00 H new ATOM 0 HG3 GLU A 17 1.218 -0.756 -18.327 1.00 25.00 H new ATOM 253 N ASN A 18 3.270 0.566 -13.952 1.00 25.00 N ATOM 254 CA ASN A 18 4.083 1.270 -12.968 1.00 25.00 C ATOM 255 C ASN A 18 5.129 0.272 -12.335 1.00 25.00 C ATOM 256 O ASN A 18 6.159 0.735 -11.778 1.00 25.00 O ATOM 257 CB ASN A 18 3.162 1.840 -11.851 1.00 25.00 C ATOM 258 CG ASN A 18 3.658 3.191 -11.334 1.00 25.00 C ATOM 259 OD1 ASN A 18 4.795 3.501 -11.351 1.00 25.00 O ATOM 260 ND2 ASN A 18 2.751 4.005 -10.826 1.00 25.00 N ATOM 0 H ASN A 18 2.297 0.409 -13.690 1.00 25.00 H new ATOM 0 HA ASN A 18 4.615 2.088 -13.453 1.00 25.00 H new ATOM 0 HB2 ASN A 18 2.149 1.949 -12.237 1.00 25.00 H new ATOM 0 HB3 ASN A 18 3.113 1.131 -11.024 1.00 25.00 H new ATOM 0 HD21 ASN A 18 3.033 4.908 -10.445 1.00 25.00 H new ATOM 0 HD22 ASN A 18 1.769 3.730 -10.814 1.00 25.00 H new ATOM 267 N TYR A 19 4.923 -0.997 -12.450 1.00 25.00 N ATOM 268 CA TYR A 19 5.910 -1.981 -11.940 1.00 25.00 C ATOM 269 C TYR A 19 7.034 -2.069 -12.942 1.00 25.00 C ATOM 270 O TYR A 19 8.101 -2.551 -12.653 1.00 25.00 O ATOM 271 CB TYR A 19 5.298 -3.384 -11.812 1.00 25.00 C ATOM 272 CG TYR A 19 4.258 -3.544 -10.754 1.00 25.00 C ATOM 273 CD1 TYR A 19 4.535 -3.255 -9.395 1.00 25.00 C ATOM 274 CD2 TYR A 19 2.960 -3.980 -11.069 1.00 25.00 C ATOM 275 CE1 TYR A 19 3.568 -3.391 -8.390 1.00 25.00 C ATOM 276 CE2 TYR A 19 1.955 -4.081 -10.074 1.00 25.00 C ATOM 277 CZ TYR A 19 2.259 -3.794 -8.763 1.00 25.00 C ATOM 278 OH TYR A 19 1.329 -3.908 -7.759 1.00 25.00 O ATOM 0 H TYR A 19 4.097 -1.408 -12.884 1.00 25.00 H new ATOM 0 HA TYR A 19 6.248 -1.653 -10.957 1.00 25.00 H new ATOM 0 HB2 TYR A 19 4.859 -3.657 -12.771 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.101 -4.094 -11.616 1.00 25.00 H new ATOM 0 HD1 TYR A 19 5.525 -2.918 -9.124 1.00 25.00 H new ATOM 0 HD2 TYR A 19 2.723 -4.243 -12.089 1.00 25.00 H new ATOM 0 HE1 TYR A 19 3.813 -3.194 -7.357 1.00 25.00 H new ATOM 0 HE2 TYR A 19 0.954 -4.382 -10.344 1.00 25.00 H new ATOM 0 HH TYR A 19 0.880 -4.776 -7.826 1.00 25.00 H new ATOM 288 N CYS A 20 6.748 -1.568 -14.137 1.00 25.00 N ATOM 289 CA CYS A 20 7.647 -1.650 -15.262 1.00 25.00 C ATOM 290 C CYS A 20 8.468 -0.345 -15.355 1.00 25.00 C ATOM 291 O CYS A 20 9.250 -0.147 -16.289 1.00 25.00 O ATOM 292 CB CYS A 20 6.822 -1.896 -16.545 1.00 25.00 C ATOM 293 SG CYS A 20 7.782 -2.076 -18.077 1.00 25.00 S ATOM 0 H CYS A 20 5.872 -1.089 -14.346 1.00 25.00 H new ATOM 0 HA CYS A 20 8.345 -2.478 -15.139 1.00 25.00 H new ATOM 0 HB2 CYS A 20 6.225 -2.797 -16.404 1.00 25.00 H new ATOM 0 HB3 CYS A 20 6.124 -1.068 -16.670 1.00 25.00 H new ATOM 298 N ASN A 21 8.286 0.485 -14.296 1.00 25.00 N ATOM 299 CA ASN A 21 9.044 1.713 -14.021 1.00 25.00 C ATOM 300 C ASN A 21 9.162 2.668 -15.220 1.00 25.00 C ATOM 301 O ASN A 21 8.216 2.529 -16.046 1.00 25.00 O ATOM 302 CB ASN A 21 10.451 1.338 -13.479 1.00 25.00 C ATOM 303 CG ASN A 21 11.325 0.749 -14.520 1.00 25.00 C ATOM 304 OD1 ASN A 21 11.978 1.450 -15.291 1.00 25.00 O ATOM 305 ND2 ASN A 21 11.471 -0.542 -14.468 1.00 25.00 N ATOM 306 OXT ASN A 21 9.971 3.630 -15.192 1.00 25.00 O ATOM 0 H ASN A 21 7.576 0.301 -13.587 1.00 25.00 H new ATOM 0 HA ASN A 21 8.478 2.266 -13.271 1.00 25.00 H new ATOM 0 HB2 ASN A 21 10.928 2.229 -13.071 1.00 25.00 H new ATOM 0 HB3 ASN A 21 10.343 0.630 -12.658 1.00 25.00 H new ATOM 0 HD21 ASN A 21 12.144 -1.004 -15.079 1.00 25.00 H new ATOM 0 HD22 ASN A 21 10.912 -1.093 -13.816 1.00 25.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 -2.350 -8.853 -22.898 1.00 25.00 N ATOM 315 CA PHE B 1 -2.409 -8.890 -21.437 1.00 25.00 C ATOM 316 C PHE B 1 -3.620 -9.666 -20.960 1.00 25.00 C ATOM 317 O PHE B 1 -3.427 -10.674 -20.349 1.00 25.00 O ATOM 318 CB PHE B 1 -2.395 -7.468 -20.883 1.00 25.00 C ATOM 319 CG PHE B 1 -2.749 -7.386 -19.432 1.00 25.00 C ATOM 320 CD1 PHE B 1 -2.188 -8.279 -18.531 1.00 25.00 C ATOM 321 CD2 PHE B 1 -3.643 -6.380 -18.977 1.00 25.00 C ATOM 322 CE1 PHE B 1 -2.584 -8.262 -17.181 1.00 25.00 C ATOM 323 CE2 PHE B 1 -3.992 -6.300 -17.659 1.00 25.00 C ATOM 324 CZ PHE B 1 -3.494 -7.248 -16.724 1.00 25.00 C ATOM 0 H1 PHE B 1 -1.512 -8.316 -23.198 1.00 25.00 H new ATOM 0 H2 PHE B 1 -2.290 -9.823 -23.268 1.00 25.00 H new ATOM 0 H3 PHE B 1 -3.206 -8.394 -23.268 1.00 25.00 H new ATOM 0 HA PHE B 1 -1.529 -9.412 -21.060 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -1.404 -7.039 -21.031 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -3.095 -6.858 -21.454 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -1.446 -8.989 -18.866 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -4.051 -5.670 -19.681 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.207 -9.005 -16.494 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.650 -5.512 -17.325 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.795 -7.207 -15.687 1.00 25.00 H new ATOM 336 N VAL B 2 -4.829 -9.154 -21.222 1.00 25.00 N ATOM 337 CA VAL B 2 -6.126 -9.726 -20.736 1.00 25.00 C ATOM 338 C VAL B 2 -6.247 -9.306 -19.273 1.00 25.00 C ATOM 339 O VAL B 2 -5.357 -9.513 -18.477 1.00 25.00 O ATOM 340 CB VAL B 2 -6.308 -11.315 -20.901 1.00 25.00 C ATOM 341 CG1 VAL B 2 -7.685 -11.756 -20.397 1.00 25.00 C ATOM 342 CG2 VAL B 2 -6.117 -11.716 -22.370 1.00 25.00 C ATOM 0 H VAL B 2 -4.954 -8.314 -21.787 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.924 -9.333 -21.366 1.00 25.00 H new ATOM 0 HB VAL B 2 -5.551 -11.818 -20.299 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -7.788 -12.834 -20.517 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -7.787 -11.497 -19.343 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -8.462 -11.251 -20.971 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -6.242 -12.794 -22.472 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -6.857 -11.205 -22.986 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -5.116 -11.434 -22.697 1.00 25.00 H new ATOM 352 N ASN B 3 -7.332 -8.597 -18.970 1.00 25.00 N ATOM 353 CA ASN B 3 -7.513 -8.052 -17.633 1.00 25.00 C ATOM 354 C ASN B 3 -7.855 -9.136 -16.611 1.00 25.00 C ATOM 355 O ASN B 3 -8.617 -10.015 -16.921 1.00 25.00 O ATOM 356 CB ASN B 3 -8.605 -6.962 -17.671 1.00 25.00 C ATOM 357 CG ASN B 3 -10.015 -7.519 -17.579 1.00 25.00 C ATOM 358 OD1 ASN B 3 -10.547 -7.688 -16.503 1.00 25.00 O ATOM 359 ND2 ASN B 3 -10.624 -7.801 -18.704 1.00 25.00 N ATOM 0 H ASN B 3 -8.087 -8.390 -19.624 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.570 -7.611 -17.312 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -8.443 -6.266 -16.848 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -8.507 -6.392 -18.595 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -11.573 -8.174 -18.690 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -10.149 -7.647 -19.593 1.00 25.00 H new ATOM 366 N GLN B 4 -7.336 -9.028 -15.417 1.00 25.00 N ATOM 367 CA GLN B 4 -7.573 -9.997 -14.397 1.00 25.00 C ATOM 368 C GLN B 4 -7.203 -9.335 -13.024 1.00 25.00 C ATOM 369 O GLN B 4 -6.596 -8.248 -13.024 1.00 25.00 O ATOM 370 CB GLN B 4 -6.639 -11.204 -14.645 1.00 25.00 C ATOM 371 CG GLN B 4 -7.259 -12.622 -14.285 1.00 25.00 C ATOM 372 CD GLN B 4 -8.272 -13.133 -15.298 1.00 25.00 C ATOM 373 OE1 GLN B 4 -7.931 -13.612 -16.355 1.00 25.00 O ATOM 374 NE2 GLN B 4 -9.525 -13.060 -14.957 1.00 25.00 N ATOM 0 H GLN B 4 -6.733 -8.257 -15.129 1.00 25.00 H new ATOM 0 HA GLN B 4 -8.612 -10.328 -14.397 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -6.348 -11.208 -15.695 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -5.728 -11.065 -14.062 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -6.451 -13.348 -14.198 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -7.738 -12.559 -13.308 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -9.786 -12.651 -14.060 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -10.246 -13.411 -15.587 1.00 25.00 H new ATOM 383 N HIS B 5 -7.478 -10.016 -11.924 1.00 25.00 N ATOM 384 CA HIS B 5 -6.882 -9.661 -10.651 1.00 25.00 C ATOM 385 C HIS B 5 -5.481 -10.232 -10.771 1.00 25.00 C ATOM 386 O HIS B 5 -5.310 -11.322 -11.250 1.00 25.00 O ATOM 387 CB HIS B 5 -7.570 -10.334 -9.436 1.00 25.00 C ATOM 388 CG HIS B 5 -8.879 -9.699 -9.013 1.00 25.00 C ATOM 389 ND1 HIS B 5 -9.942 -9.432 -9.859 1.00 25.00 N ATOM 390 CD2 HIS B 5 -9.310 -9.272 -7.777 1.00 25.00 C ATOM 391 CE1 HIS B 5 -10.913 -8.835 -9.112 1.00 25.00 C ATOM 392 NE2 HIS B 5 -10.595 -8.757 -7.855 1.00 25.00 N ATOM 0 H HIS B 5 -8.109 -10.816 -11.889 1.00 25.00 H new ATOM 0 HA HIS B 5 -6.951 -8.588 -10.475 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -7.751 -11.382 -9.674 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -6.883 -10.314 -8.590 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -8.727 -9.330 -6.870 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.843 -8.468 -9.520 1.00 25.00 H new ATOM 0 HE2 HIS B 5 -11.166 -8.395 -7.091 1.00 25.00 H new ATOM 400 N LEU B 6 -4.496 -9.518 -10.231 1.00 25.00 N ATOM 401 CA LEU B 6 -3.139 -10.044 -10.249 1.00 25.00 C ATOM 402 C LEU B 6 -2.664 -10.254 -8.829 1.00 25.00 C ATOM 403 O LEU B 6 -1.996 -9.404 -8.236 1.00 25.00 O ATOM 404 CB LEU B 6 -2.201 -9.098 -11.018 1.00 25.00 C ATOM 405 CG LEU B 6 -2.637 -8.900 -12.467 1.00 25.00 C ATOM 406 CD1 LEU B 6 -1.654 -7.963 -13.156 1.00 25.00 C ATOM 407 CD2 LEU B 6 -2.733 -10.254 -13.241 1.00 25.00 C ATOM 0 H LEU B 6 -4.607 -8.605 -9.790 1.00 25.00 H new ATOM 0 HA LEU B 6 -3.129 -11.003 -10.766 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -2.171 -8.132 -10.515 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -1.188 -9.499 -10.998 1.00 25.00 H new ATOM 0 HG LEU B 6 -3.635 -8.463 -12.469 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -1.957 -7.815 -14.192 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -1.644 -7.003 -12.640 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -0.655 -8.399 -13.129 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -3.047 -10.065 -14.268 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -1.758 -10.742 -13.243 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -3.461 -10.901 -12.753 1.00 25.00 H new ATOM 419 N CYS B 7 -2.940 -11.459 -8.305 1.00 25.00 N ATOM 420 CA CYS B 7 -2.458 -11.820 -6.970 1.00 25.00 C ATOM 421 C CYS B 7 -1.766 -13.198 -6.968 1.00 25.00 C ATOM 422 O CYS B 7 -2.210 -14.097 -6.326 1.00 25.00 O ATOM 423 CB CYS B 7 -3.655 -11.791 -5.977 1.00 25.00 C ATOM 424 SG CYS B 7 -3.280 -11.482 -4.210 1.00 25.00 S ATOM 0 H CYS B 7 -3.483 -12.183 -8.776 1.00 25.00 H new ATOM 0 HA CYS B 7 -1.708 -11.094 -6.656 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -4.352 -11.023 -6.312 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -4.175 -12.746 -6.049 1.00 25.00 H new ATOM 429 N GLY B 8 -0.628 -13.333 -7.661 1.00 25.00 N ATOM 430 CA GLY B 8 0.100 -14.620 -7.651 1.00 25.00 C ATOM 431 C GLY B 8 1.069 -14.660 -8.841 1.00 25.00 C ATOM 432 O GLY B 8 1.440 -13.587 -9.302 1.00 25.00 O ATOM 0 H GLY B 8 -0.198 -12.597 -8.220 1.00 25.00 H new ATOM 0 HA2 GLY B 8 0.648 -14.734 -6.716 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -0.604 -15.450 -7.711 1.00 25.00 H new ATOM 436 N SER B 9 1.450 -15.842 -9.384 1.00 25.00 N ATOM 437 CA SER B 9 2.376 -15.927 -10.587 1.00 25.00 C ATOM 438 C SER B 9 1.815 -15.258 -11.832 1.00 25.00 C ATOM 439 O SER B 9 2.521 -15.040 -12.793 1.00 25.00 O ATOM 440 CB SER B 9 2.673 -17.395 -10.928 1.00 25.00 C ATOM 441 OG SER B 9 3.733 -17.478 -11.871 1.00 25.00 O ATOM 0 H SER B 9 1.147 -16.749 -9.029 1.00 25.00 H new ATOM 0 HA SER B 9 3.283 -15.396 -10.299 1.00 25.00 H new ATOM 0 HB2 SER B 9 2.940 -17.939 -10.022 1.00 25.00 H new ATOM 0 HB3 SER B 9 1.779 -17.869 -11.333 1.00 25.00 H new ATOM 0 HG SER B 9 3.736 -16.674 -12.432 1.00 25.00 H new ATOM 447 N HIS B 10 0.523 -14.901 -11.778 1.00 25.00 N ATOM 448 CA HIS B 10 -0.132 -14.230 -12.883 1.00 25.00 C ATOM 449 C HIS B 10 0.499 -12.858 -13.087 1.00 25.00 C ATOM 450 O HIS B 10 0.546 -12.356 -14.176 1.00 25.00 O ATOM 451 CB HIS B 10 -1.630 -14.078 -12.559 1.00 25.00 C ATOM 452 CG HIS B 10 -2.357 -15.374 -12.536 1.00 25.00 C ATOM 453 ND1 HIS B 10 -3.258 -15.740 -11.559 1.00 25.00 N ATOM 454 CD2 HIS B 10 -2.347 -16.399 -13.409 1.00 25.00 C ATOM 455 CE1 HIS B 10 -3.717 -16.963 -11.868 1.00 25.00 C ATOM 456 NE2 HIS B 10 -3.175 -17.411 -12.975 1.00 25.00 N ATOM 0 H HIS B 10 -0.080 -15.072 -10.973 1.00 25.00 H new ATOM 0 HA HIS B 10 -0.016 -14.814 -13.796 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -1.738 -13.591 -11.590 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -2.091 -13.423 -13.299 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -1.770 -16.424 -14.322 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -4.440 -17.508 -11.280 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -3.333 -18.315 -13.420 1.00 25.00 H new ATOM 464 N LEU B 11 1.020 -12.293 -12.039 1.00 25.00 N ATOM 465 CA LEU B 11 1.702 -11.008 -12.117 1.00 25.00 C ATOM 466 C LEU B 11 2.949 -11.099 -13.006 1.00 25.00 C ATOM 467 O LEU B 11 3.226 -10.170 -13.773 1.00 25.00 O ATOM 468 CB LEU B 11 2.113 -10.554 -10.738 1.00 25.00 C ATOM 469 CG LEU B 11 2.810 -9.187 -10.687 1.00 25.00 C ATOM 470 CD1 LEU B 11 2.000 -8.051 -11.291 1.00 25.00 C ATOM 471 CD2 LEU B 11 3.083 -8.939 -9.226 1.00 25.00 C ATOM 0 H LEU B 11 0.992 -12.697 -11.103 1.00 25.00 H new ATOM 0 HA LEU B 11 1.009 -10.289 -12.553 1.00 25.00 H new ATOM 0 HB2 LEU B 11 1.227 -10.517 -10.105 1.00 25.00 H new ATOM 0 HB3 LEU B 11 2.780 -11.302 -10.309 1.00 25.00 H new ATOM 0 HG LEU B 11 3.716 -9.211 -11.293 1.00 25.00 H new ATOM 0 HD11 LEU B 11 2.564 -7.121 -11.214 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.797 -8.267 -12.340 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.058 -7.949 -10.752 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.582 -7.977 -9.107 1.00 25.00 H new ATOM 0 HD22 LEU B 11 2.142 -8.930 -8.676 1.00 25.00 H new ATOM 0 HD23 LEU B 11 3.723 -9.730 -8.836 1.00 25.00 H new ATOM 483 N VAL B 12 3.693 -12.210 -12.883 1.00 25.00 N ATOM 484 CA VAL B 12 4.910 -12.360 -13.641 1.00 25.00 C ATOM 485 C VAL B 12 4.491 -12.458 -15.133 1.00 25.00 C ATOM 486 O VAL B 12 5.152 -11.835 -15.993 1.00 25.00 O ATOM 487 CB VAL B 12 5.700 -13.592 -13.180 1.00 25.00 C ATOM 488 CG1 VAL B 12 7.025 -13.703 -13.984 1.00 25.00 C ATOM 489 CG2 VAL B 12 5.993 -13.540 -11.667 1.00 25.00 C ATOM 0 H VAL B 12 3.465 -12.995 -12.273 1.00 25.00 H new ATOM 0 HA VAL B 12 5.577 -11.511 -13.491 1.00 25.00 H new ATOM 0 HB VAL B 12 5.090 -14.476 -13.369 1.00 25.00 H new ATOM 0 HG11 VAL B 12 7.580 -14.580 -13.651 1.00 25.00 H new ATOM 0 HG12 VAL B 12 6.799 -13.798 -15.046 1.00 25.00 H new ATOM 0 HG13 VAL B 12 7.626 -12.809 -13.820 1.00 25.00 H new ATOM 0 HG21 VAL B 12 6.554 -14.428 -11.374 1.00 25.00 H new ATOM 0 HG22 VAL B 12 6.579 -12.649 -11.440 1.00 25.00 H new ATOM 0 HG23 VAL B 12 5.053 -13.506 -11.115 1.00 25.00 H new ATOM 499 N GLU B 13 3.441 -13.218 -15.418 1.00 25.00 N ATOM 500 CA GLU B 13 2.951 -13.398 -16.772 1.00 25.00 C ATOM 501 C GLU B 13 2.411 -12.076 -17.335 1.00 25.00 C ATOM 502 O GLU B 13 2.625 -11.778 -18.516 1.00 25.00 O ATOM 503 CB GLU B 13 1.747 -14.398 -16.759 1.00 25.00 C ATOM 504 CG GLU B 13 2.230 -15.869 -16.553 1.00 25.00 C ATOM 505 CD GLU B 13 1.111 -16.891 -16.609 1.00 25.00 C ATOM 506 OE1 GLU B 13 0.230 -16.888 -15.729 1.00 25.00 O ATOM 507 OE2 GLU B 13 1.171 -17.783 -17.478 1.00 25.00 O ATOM 0 H GLU B 13 2.907 -13.726 -14.713 1.00 25.00 H new ATOM 0 HA GLU B 13 3.779 -13.764 -17.379 1.00 25.00 H new ATOM 0 HB2 GLU B 13 1.055 -14.126 -15.962 1.00 25.00 H new ATOM 0 HB3 GLU B 13 1.199 -14.322 -17.698 1.00 25.00 H new ATOM 0 HG2 GLU B 13 2.969 -16.110 -17.317 1.00 25.00 H new ATOM 0 HG3 GLU B 13 2.732 -15.946 -15.589 1.00 25.00 H new ATOM 514 N ALA B 14 1.753 -11.277 -16.514 1.00 25.00 N ATOM 515 CA ALA B 14 1.271 -9.985 -16.919 1.00 25.00 C ATOM 516 C ALA B 14 2.445 -9.114 -17.380 1.00 25.00 C ATOM 517 O ALA B 14 2.358 -8.502 -18.419 1.00 25.00 O ATOM 518 CB ALA B 14 0.544 -9.313 -15.785 1.00 25.00 C ATOM 0 H ALA B 14 1.541 -11.515 -15.545 1.00 25.00 H new ATOM 0 HA ALA B 14 0.574 -10.115 -17.747 1.00 25.00 H new ATOM 0 HB1 ALA B 14 0.186 -8.336 -16.110 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -0.304 -9.927 -15.482 1.00 25.00 H new ATOM 0 HB3 ALA B 14 1.222 -9.188 -14.941 1.00 25.00 H new ATOM 524 N LEU B 15 3.473 -9.043 -16.568 1.00 25.00 N ATOM 525 CA LEU B 15 4.594 -8.164 -16.856 1.00 25.00 C ATOM 526 C LEU B 15 5.379 -8.694 -18.063 1.00 25.00 C ATOM 527 O LEU B 15 5.933 -7.919 -18.872 1.00 25.00 O ATOM 528 CB LEU B 15 5.475 -8.031 -15.623 1.00 25.00 C ATOM 529 CG LEU B 15 4.989 -6.985 -14.611 1.00 25.00 C ATOM 530 CD1 LEU B 15 5.477 -7.257 -13.178 1.00 25.00 C ATOM 531 CD2 LEU B 15 5.452 -5.633 -15.096 1.00 25.00 C ATOM 0 H LEU B 15 3.562 -9.579 -15.705 1.00 25.00 H new ATOM 0 HA LEU B 15 4.226 -7.170 -17.112 1.00 25.00 H new ATOM 0 HB2 LEU B 15 5.534 -9.000 -15.127 1.00 25.00 H new ATOM 0 HB3 LEU B 15 6.486 -7.772 -15.939 1.00 25.00 H new ATOM 0 HG LEU B 15 3.901 -7.028 -14.554 1.00 25.00 H new ATOM 0 HD11 LEU B 15 5.099 -6.482 -12.512 1.00 25.00 H new ATOM 0 HD12 LEU B 15 5.112 -8.229 -12.848 1.00 25.00 H new ATOM 0 HD13 LEU B 15 6.567 -7.253 -13.158 1.00 25.00 H new ATOM 0 HD21 LEU B 15 5.123 -4.864 -14.398 1.00 25.00 H new ATOM 0 HD22 LEU B 15 6.540 -5.623 -15.161 1.00 25.00 H new ATOM 0 HD23 LEU B 15 5.028 -5.435 -16.081 1.00 25.00 H new ATOM 543 N TYR B 16 5.386 -10.025 -18.201 1.00 25.00 N ATOM 544 CA TYR B 16 5.987 -10.682 -19.354 1.00 25.00 C ATOM 545 C TYR B 16 5.242 -10.277 -20.614 1.00 25.00 C ATOM 546 O TYR B 16 5.882 -9.956 -21.601 1.00 25.00 O ATOM 547 CB TYR B 16 5.943 -12.205 -19.183 1.00 25.00 C ATOM 548 CG TYR B 16 6.655 -12.944 -20.279 1.00 25.00 C ATOM 549 CD1 TYR B 16 6.005 -13.281 -21.471 1.00 25.00 C ATOM 550 CD2 TYR B 16 8.007 -13.344 -20.125 1.00 25.00 C ATOM 551 CE1 TYR B 16 6.696 -14.028 -22.484 1.00 25.00 C ATOM 552 CE2 TYR B 16 8.694 -14.055 -21.143 1.00 25.00 C ATOM 553 CZ TYR B 16 8.030 -14.404 -22.294 1.00 25.00 C ATOM 554 OH TYR B 16 8.724 -15.107 -23.239 1.00 25.00 O ATOM 0 H TYR B 16 4.978 -10.666 -17.521 1.00 25.00 H new ATOM 0 HA TYR B 16 7.029 -10.374 -19.436 1.00 25.00 H new ATOM 0 HB2 TYR B 16 6.390 -12.470 -18.225 1.00 25.00 H new ATOM 0 HB3 TYR B 16 4.903 -12.531 -19.150 1.00 25.00 H new ATOM 0 HD1 TYR B 16 4.980 -12.978 -21.630 1.00 25.00 H new ATOM 0 HD2 TYR B 16 8.527 -13.101 -19.210 1.00 25.00 H new ATOM 0 HE1 TYR B 16 6.184 -14.300 -23.395 1.00 25.00 H new ATOM 0 HE2 TYR B 16 9.733 -14.320 -21.014 1.00 25.00 H new ATOM 0 HH TYR B 16 9.636 -15.271 -22.920 1.00 25.00 H new ATOM 564 N LEU B 17 3.930 -10.240 -20.600 1.00 25.00 N ATOM 565 CA LEU B 17 3.218 -9.871 -21.799 1.00 25.00 C ATOM 566 C LEU B 17 3.273 -8.384 -22.107 1.00 25.00 C ATOM 567 O LEU B 17 3.224 -8.002 -23.250 1.00 25.00 O ATOM 568 CB LEU B 17 1.764 -10.306 -21.711 1.00 25.00 C ATOM 569 CG LEU B 17 1.515 -11.837 -21.661 1.00 25.00 C ATOM 570 CD1 LEU B 17 0.060 -12.089 -21.370 1.00 25.00 C ATOM 571 CD2 LEU B 17 1.918 -12.542 -22.986 1.00 25.00 C ATOM 0 H LEU B 17 3.346 -10.455 -19.792 1.00 25.00 H new ATOM 0 HA LEU B 17 3.724 -10.389 -22.613 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.324 -9.857 -20.821 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.231 -9.899 -22.570 1.00 25.00 H new ATOM 0 HG LEU B 17 2.140 -12.254 -20.871 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -0.123 -13.163 -21.333 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.202 -11.643 -20.410 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.551 -11.644 -22.155 1.00 25.00 H new ATOM 0 HD21 LEU B 17 1.725 -13.612 -22.902 1.00 25.00 H new ATOM 0 HD22 LEU B 17 1.333 -12.131 -23.809 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.979 -12.378 -23.177 1.00 25.00 H new ATOM 583 N VAL B 18 3.192 -7.539 -21.085 1.00 25.00 N ATOM 584 CA VAL B 18 3.018 -6.104 -21.305 1.00 25.00 C ATOM 585 C VAL B 18 4.356 -5.440 -21.666 1.00 25.00 C ATOM 586 O VAL B 18 4.421 -4.629 -22.579 1.00 25.00 O ATOM 587 CB VAL B 18 2.358 -5.461 -20.050 1.00 25.00 C ATOM 588 CG1 VAL B 18 2.238 -3.895 -20.184 1.00 25.00 C ATOM 589 CG2 VAL B 18 0.973 -6.015 -19.924 1.00 25.00 C ATOM 0 H VAL B 18 3.243 -7.817 -20.105 1.00 25.00 H new ATOM 0 HA VAL B 18 2.353 -5.944 -22.153 1.00 25.00 H new ATOM 0 HB VAL B 18 2.979 -5.687 -19.183 1.00 25.00 H new ATOM 0 HG11 VAL B 18 1.772 -3.488 -19.287 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.231 -3.463 -20.305 1.00 25.00 H new ATOM 0 HG13 VAL B 18 1.627 -3.650 -21.053 1.00 25.00 H new ATOM 0 HG21 VAL B 18 0.486 -5.581 -19.051 1.00 25.00 H new ATOM 0 HG22 VAL B 18 0.400 -5.770 -20.819 1.00 25.00 H new ATOM 0 HG23 VAL B 18 1.023 -7.098 -19.811 1.00 25.00 H new ATOM 599 N CYS B 19 5.414 -5.829 -20.957 1.00 25.00 N ATOM 600 CA CYS B 19 6.719 -5.173 -21.072 1.00 25.00 C ATOM 601 C CYS B 19 7.844 -6.098 -21.694 1.00 25.00 C ATOM 602 O CYS B 19 9.022 -5.696 -21.708 1.00 25.00 O ATOM 603 CB CYS B 19 7.178 -4.625 -19.683 1.00 25.00 C ATOM 604 SG CYS B 19 6.458 -2.995 -19.302 1.00 25.00 S ATOM 0 H CYS B 19 5.394 -6.601 -20.291 1.00 25.00 H new ATOM 0 HA CYS B 19 6.581 -4.347 -21.769 1.00 25.00 H new ATOM 0 HB2 CYS B 19 6.895 -5.334 -18.905 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.265 -4.551 -19.667 1.00 25.00 H new ATOM 609 N GLY B 20 7.532 -7.345 -22.093 1.00 25.00 N ATOM 610 CA GLY B 20 8.527 -8.186 -22.794 1.00 25.00 C ATOM 611 C GLY B 20 9.813 -8.389 -22.033 1.00 25.00 C ATOM 612 O GLY B 20 10.884 -8.321 -22.630 1.00 25.00 O ATOM 0 H GLY B 20 6.624 -7.786 -21.948 1.00 25.00 H new ATOM 0 HA2 GLY B 20 8.082 -9.160 -23.000 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.756 -7.731 -23.757 1.00 25.00 H new ATOM 616 N GLU B 21 9.679 -8.585 -20.720 1.00 25.00 N ATOM 617 CA GLU B 21 10.775 -8.850 -19.762 1.00 25.00 C ATOM 618 C GLU B 21 11.590 -7.627 -19.368 1.00 25.00 C ATOM 619 O GLU B 21 12.512 -7.668 -18.581 1.00 25.00 O ATOM 620 CB GLU B 21 11.733 -9.991 -20.235 1.00 25.00 C ATOM 621 CG GLU B 21 11.003 -11.318 -20.508 1.00 25.00 C ATOM 622 CD GLU B 21 11.931 -12.330 -21.162 1.00 25.00 C ATOM 623 OE1 GLU B 21 12.971 -12.644 -20.558 1.00 25.00 O ATOM 624 OE2 GLU B 21 11.607 -12.780 -22.266 1.00 25.00 O ATOM 0 H GLU B 21 8.766 -8.564 -20.266 1.00 25.00 H new ATOM 0 HA GLU B 21 10.247 -9.178 -18.867 1.00 25.00 H new ATOM 0 HB2 GLU B 21 12.247 -9.673 -21.142 1.00 25.00 H new ATOM 0 HB3 GLU B 21 12.498 -10.153 -19.475 1.00 25.00 H new ATOM 0 HG2 GLU B 21 10.619 -11.724 -19.572 1.00 25.00 H new ATOM 0 HG3 GLU B 21 10.144 -11.138 -21.154 1.00 25.00 H new ATOM 631 N ARG B 22 11.223 -6.478 -19.899 1.00 25.00 N ATOM 632 CA ARG B 22 11.969 -5.250 -19.601 1.00 25.00 C ATOM 633 C ARG B 22 11.469 -4.639 -18.263 1.00 25.00 C ATOM 634 O ARG B 22 11.976 -3.651 -17.824 1.00 25.00 O ATOM 635 CB ARG B 22 11.796 -4.250 -20.731 1.00 25.00 C ATOM 636 CG ARG B 22 12.261 -4.811 -22.095 1.00 25.00 C ATOM 637 CD ARG B 22 12.019 -3.875 -23.244 1.00 25.00 C ATOM 638 NE ARG B 22 12.475 -4.436 -24.548 1.00 25.00 N ATOM 639 CZ ARG B 22 12.242 -3.871 -25.753 1.00 25.00 C ATOM 640 NH1 ARG B 22 11.558 -2.740 -25.841 1.00 25.00 N ATOM 641 NH2 ARG B 22 12.713 -4.439 -26.847 1.00 25.00 N ATOM 0 H ARG B 22 10.429 -6.358 -20.529 1.00 25.00 H new ATOM 0 HA ARG B 22 13.028 -5.491 -19.505 1.00 25.00 H new ATOM 0 HB2 ARG B 22 10.747 -3.962 -20.799 1.00 25.00 H new ATOM 0 HB3 ARG B 22 12.361 -3.346 -20.502 1.00 25.00 H new ATOM 0 HG2 ARG B 22 13.326 -5.039 -22.041 1.00 25.00 H new ATOM 0 HG3 ARG B 22 11.743 -5.751 -22.287 1.00 25.00 H new ATOM 0 HD2 ARG B 22 10.955 -3.647 -23.303 1.00 25.00 H new ATOM 0 HD3 ARG B 22 12.537 -2.934 -23.057 1.00 25.00 H new ATOM 0 HE ARG B 22 13.001 -5.310 -24.529 1.00 25.00 H new ATOM 0 HH11 ARG B 22 11.204 -2.291 -24.996 1.00 25.00 H new ATOM 0 HH12 ARG B 22 11.385 -2.318 -26.753 1.00 25.00 H new ATOM 0 HH21 ARG B 22 13.252 -5.303 -26.782 1.00 25.00 H new ATOM 0 HH22 ARG B 22 12.538 -4.014 -27.758 1.00 25.00 H new ATOM 655 N GLY B 23 10.405 -5.256 -17.688 1.00 25.00 N ATOM 656 CA GLY B 23 9.739 -4.680 -16.539 1.00 25.00 C ATOM 657 C GLY B 23 9.872 -5.454 -15.242 1.00 25.00 C ATOM 658 O GLY B 23 9.284 -5.091 -14.208 1.00 25.00 O ATOM 0 H GLY B 23 10.010 -6.139 -18.011 1.00 25.00 H new ATOM 0 HA2 GLY B 23 10.130 -3.675 -16.382 1.00 25.00 H new ATOM 0 HA3 GLY B 23 8.679 -4.577 -16.771 1.00 25.00 H new ATOM 662 N PHE B 24 10.602 -6.554 -15.264 1.00 25.00 N ATOM 663 CA PHE B 24 10.793 -7.332 -14.043 1.00 25.00 C ATOM 664 C PHE B 24 12.100 -8.036 -14.211 1.00 25.00 C ATOM 665 O PHE B 24 12.678 -8.070 -15.291 1.00 25.00 O ATOM 666 CB PHE B 24 9.583 -8.274 -13.833 1.00 25.00 C ATOM 667 CG PHE B 24 9.505 -9.410 -14.864 1.00 25.00 C ATOM 668 CD1 PHE B 24 8.890 -9.210 -16.115 1.00 25.00 C ATOM 669 CD2 PHE B 24 10.064 -10.641 -14.556 1.00 25.00 C ATOM 670 CE1 PHE B 24 8.769 -10.260 -17.064 1.00 25.00 C ATOM 671 CE2 PHE B 24 9.992 -11.718 -15.459 1.00 25.00 C ATOM 672 CZ PHE B 24 9.363 -11.508 -16.712 1.00 25.00 C ATOM 0 H PHE B 24 11.066 -6.927 -16.092 1.00 25.00 H new ATOM 0 HA PHE B 24 10.835 -6.724 -13.139 1.00 25.00 H new ATOM 0 HB2 PHE B 24 9.637 -8.705 -12.833 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.665 -7.689 -13.879 1.00 25.00 H new ATOM 0 HD1 PHE B 24 8.500 -8.233 -16.359 1.00 25.00 H new ATOM 0 HD2 PHE B 24 10.563 -10.775 -13.608 1.00 25.00 H new ATOM 0 HE1 PHE B 24 8.254 -10.121 -18.003 1.00 25.00 H new ATOM 0 HE2 PHE B 24 10.406 -12.682 -15.203 1.00 25.00 H new ATOM 0 HZ PHE B 24 9.333 -12.320 -17.424 1.00 25.00 H new ATOM 682 N PHE B 25 12.573 -8.549 -13.056 1.00 25.00 N ATOM 683 CA PHE B 25 13.767 -9.330 -13.056 1.00 25.00 C ATOM 684 C PHE B 25 13.367 -10.827 -12.999 1.00 25.00 C ATOM 685 O PHE B 25 13.656 -11.620 -13.874 1.00 25.00 O ATOM 686 CB PHE B 25 14.644 -9.009 -11.869 1.00 25.00 C ATOM 687 CG PHE B 25 15.851 -9.884 -11.738 1.00 25.00 C ATOM 688 CD1 PHE B 25 16.973 -9.637 -12.544 1.00 25.00 C ATOM 689 CD2 PHE B 25 15.889 -10.943 -10.808 1.00 25.00 C ATOM 690 CE1 PHE B 25 18.122 -10.497 -12.517 1.00 25.00 C ATOM 691 CE2 PHE B 25 17.007 -11.813 -10.765 1.00 25.00 C ATOM 692 CZ PHE B 25 18.127 -11.584 -11.637 1.00 25.00 C ATOM 0 H PHE B 25 12.136 -8.424 -12.143 1.00 25.00 H new ATOM 0 HA PHE B 25 14.332 -9.104 -13.960 1.00 25.00 H new ATOM 0 HB2 PHE B 25 14.969 -7.971 -11.943 1.00 25.00 H new ATOM 0 HB3 PHE B 25 14.049 -9.093 -10.960 1.00 25.00 H new ATOM 0 HD1 PHE B 25 16.972 -8.779 -13.200 1.00 25.00 H new ATOM 0 HD2 PHE B 25 15.064 -11.092 -10.127 1.00 25.00 H new ATOM 0 HE1 PHE B 25 18.966 -10.308 -13.164 1.00 25.00 H new ATOM 0 HE2 PHE B 25 17.018 -12.647 -10.078 1.00 25.00 H new ATOM 0 HZ PHE B 25 18.974 -12.253 -11.612 1.00 25.00 H new HETATM 702 N NVA B 26 12.689 -11.187 -11.844 1.00 25.00 N HETATM 703 CA NVA B 26 12.271 -12.588 -11.411 1.00 25.00 C HETATM 704 CB NVA B 26 11.073 -13.177 -12.279 1.00 25.00 C HETATM 705 CG NVA B 26 10.631 -14.588 -11.814 1.00 25.00 C HETATM 706 CD NVA B 26 9.940 -14.601 -10.393 1.00 25.00 C HETATM 707 C NVA B 26 13.463 -13.584 -11.224 1.00 25.00 C HETATM 708 O NVA B 26 14.202 -13.936 -12.138 1.00 25.00 O HETATM 0 HG3 NVA B 26 9.940 -15.003 -12.548 1.00 25.00 H new HETATM 0 HG2 NVA B 26 11.502 -15.243 -11.791 1.00 25.00 H new HETATM 0 HD3 NVA B 26 10.635 -14.217 -9.647 1.00 25.00 H new HETATM 0 HD2 NVA B 26 9.049 -13.973 -10.416 1.00 25.00 H new HETATM 0 HB3 NVA B 26 10.222 -12.498 -12.223 1.00 25.00 H new HETATM 0 HB2 NVA B 26 11.376 -13.223 -13.325 1.00 25.00 H new HETATM 0 HA NVA B 26 11.869 -12.464 -10.405 1.00 25.00 H new ATOM 717 N THR B 27 13.568 -14.073 -9.965 1.00 25.00 N ATOM 718 CA THR B 27 14.551 -15.068 -9.537 1.00 25.00 C ATOM 719 C THR B 27 14.229 -16.408 -10.169 1.00 25.00 C ATOM 720 O THR B 27 13.086 -16.629 -10.553 1.00 25.00 O ATOM 721 CB THR B 27 14.448 -15.216 -8.040 1.00 25.00 C ATOM 722 OG1 THR B 27 13.078 -15.162 -7.642 1.00 25.00 O ATOM 723 CG2 THR B 27 15.182 -14.138 -7.313 1.00 25.00 C ATOM 0 H THR B 27 12.952 -13.772 -9.210 1.00 25.00 H new ATOM 0 HA THR B 27 15.551 -14.751 -9.834 1.00 25.00 H new ATOM 0 HB THR B 27 14.896 -16.177 -7.786 1.00 25.00 H new ATOM 0 HG1 THR B 27 13.016 -15.260 -6.669 1.00 25.00 H new ATOM 0 HG21 THR B 27 15.078 -14.288 -6.238 1.00 25.00 H new ATOM 0 HG22 THR B 27 16.237 -14.170 -7.584 1.00 25.00 H new ATOM 0 HG23 THR B 27 14.767 -13.168 -7.586 1.00 25.00 H new ATOM 731 N PRO B 28 15.189 -17.345 -10.246 1.00 25.00 N ATOM 732 CA PRO B 28 14.730 -18.633 -10.798 1.00 25.00 C ATOM 733 C PRO B 28 13.807 -19.367 -9.830 1.00 25.00 C ATOM 734 O PRO B 28 14.189 -19.770 -8.766 1.00 25.00 O ATOM 735 CB PRO B 28 16.032 -19.425 -10.990 1.00 25.00 C ATOM 736 CG PRO B 28 16.938 -18.866 -9.958 1.00 25.00 C ATOM 737 CD PRO B 28 16.617 -17.398 -9.843 1.00 25.00 C ATOM 0 HA PRO B 28 14.155 -18.505 -11.715 1.00 25.00 H new ATOM 0 HB2 PRO B 28 15.875 -20.494 -10.848 1.00 25.00 H new ATOM 0 HB3 PRO B 28 16.437 -19.292 -11.993 1.00 25.00 H new ATOM 0 HG2 PRO B 28 16.792 -19.369 -9.002 1.00 25.00 H new ATOM 0 HG3 PRO B 28 17.981 -19.012 -10.239 1.00 25.00 H new ATOM 0 HD2 PRO B 28 16.766 -17.029 -8.828 1.00 25.00 H new ATOM 0 HD3 PRO B 28 17.245 -16.793 -10.497 1.00 25.00 H new HETATM 745 N HIX B 29 12.574 -19.521 -10.293 1.00 25.00 N HETATM 746 CA HIX B 29 11.545 -20.199 -9.510 1.00 25.00 C HETATM 747 C HIX B 29 11.609 -21.762 -9.631 1.00 25.00 C HETATM 748 O HIX B 29 10.895 -22.445 -10.364 1.00 25.00 O HETATM 749 CB HIX B 29 10.134 -19.641 -9.802 1.00 25.00 C HETATM 750 CG HIX B 29 10.063 -18.109 -9.571 1.00 25.00 C HETATM 751 CD2 HIX B 29 9.932 -17.158 -10.472 1.00 25.00 C HETATM 752 ND1 HIX B 29 10.175 -17.499 -8.373 1.00 25.00 N HETATM 753 NE1 HIX B 29 9.903 -16.088 -8.457 1.00 25.00 N HETATM 754 NE2 HIX B 29 9.946 -15.973 -9.888 1.00 25.00 N ATOM 762 N THR B 30 12.492 -22.342 -8.750 1.00 25.00 N ATOM 763 CA THR B 30 12.739 -23.780 -8.622 1.00 25.00 C ATOM 764 C THR B 30 12.996 -24.097 -7.138 1.00 25.00 C ATOM 765 O THR B 30 13.220 -23.123 -6.387 1.00 25.00 O ATOM 766 CB THR B 30 13.946 -24.190 -9.466 1.00 25.00 C ATOM 767 OG1 THR B 30 14.070 -25.611 -9.362 1.00 25.00 O ATOM 768 CG2 THR B 30 15.238 -23.492 -8.989 1.00 25.00 C ATOM 769 OXT THR B 30 13.014 -25.312 -6.776 1.00 25.00 O ATOM 0 H THR B 30 13.054 -21.788 -8.104 1.00 25.00 H new ATOM 0 HA THR B 30 11.873 -24.338 -8.979 1.00 25.00 H new ATOM 0 HB THR B 30 13.797 -23.887 -10.502 1.00 25.00 H new ATOM 0 HG1 THR B 30 13.787 -25.900 -8.469 1.00 25.00 H new ATOM 0 HG21 THR B 30 16.074 -23.808 -9.613 1.00 25.00 H new ATOM 0 HG22 THR B 30 15.117 -22.411 -9.065 1.00 25.00 H new ATOM 0 HG23 THR B 30 15.436 -23.763 -7.952 1.00 25.00 H new TER 777 THR B 30