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 Set 1.1: B 4 GLN :FLIP amide:sc= 0.00974 F(o=-0.87,f=0.0097) USER MOD Set 1.2: B 10 HIS : no HD1:sc= 0 K(o=0.0097,f=-1.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0252 X(o=-0.025,f=-0.054) USER MOD Single : A 8 THR OG1 : rot -29:sc= 0.131 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0668 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 18 ASN : amide:sc= -0.0255 K(o=-0.026,f=-0.6) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -1.55 X(o=-1.6,f=-1.7!) USER MOD Single : B 5 HIS : no HE2:sc= 0.462 K(o=0.46,f=-1.8!) USER MOD Single : B 9 SER OG : rot -78:sc= 0.813 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -61:sc= 1.24 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.854 1.783 -1.185 1.00 25.00 N ATOM 2 CA GLY A 1 1.268 0.480 -1.630 1.00 25.00 C ATOM 3 C GLY A 1 0.566 0.560 -2.962 1.00 25.00 C ATOM 4 O GLY A 1 -0.657 0.581 -3.079 1.00 25.00 O ATOM 0 H1 GLY A 1 2.321 1.657 -0.264 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.551 2.107 -1.885 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.098 2.491 -1.096 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.062 -0.264 -1.691 1.00 25.00 H new ATOM 0 HA3 GLY A 1 0.562 0.132 -0.876 1.00 25.00 H new ATOM 9 N ILE A 2 1.378 0.662 -4.056 1.00 25.00 N ATOM 10 CA ILE A 2 0.903 0.796 -5.443 1.00 25.00 C ATOM 11 C ILE A 2 0.020 -0.406 -5.820 1.00 25.00 C ATOM 12 O ILE A 2 -0.931 -0.259 -6.601 1.00 25.00 O ATOM 13 CB ILE A 2 2.118 0.971 -6.454 1.00 25.00 C ATOM 14 CG1 ILE A 2 1.639 1.487 -7.818 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.908 -0.372 -6.715 1.00 25.00 C ATOM 16 CD1 ILE A 2 0.979 2.885 -7.785 1.00 25.00 C ATOM 0 H ILE A 2 2.395 0.652 -3.983 1.00 25.00 H new ATOM 0 HA ILE A 2 0.296 1.698 -5.516 1.00 25.00 H new ATOM 0 HB ILE A 2 2.781 1.690 -5.973 1.00 25.00 H new ATOM 0 HG12 ILE A 2 2.490 1.518 -8.499 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.926 0.773 -8.231 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.724 -0.184 -7.413 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.314 -0.744 -5.774 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.232 -1.115 -7.138 1.00 25.00 H new ATOM 0 HD11 ILE A 2 0.673 3.167 -8.792 1.00 25.00 H new ATOM 0 HD12 ILE A 2 0.105 2.860 -7.134 1.00 25.00 H new ATOM 0 HD13 ILE A 2 1.693 3.616 -7.405 1.00 25.00 H new ATOM 28 N VAL A 3 0.313 -1.568 -5.228 1.00 25.00 N ATOM 29 CA VAL A 3 -0.435 -2.796 -5.504 1.00 25.00 C ATOM 30 C VAL A 3 -1.905 -2.630 -5.175 1.00 25.00 C ATOM 31 O VAL A 3 -2.778 -2.811 -6.032 1.00 25.00 O ATOM 32 CB VAL A 3 0.136 -4.004 -4.683 1.00 25.00 C ATOM 33 CG1 VAL A 3 -0.691 -5.300 -4.931 1.00 25.00 C ATOM 34 CG2 VAL A 3 1.634 -4.240 -5.005 1.00 25.00 C ATOM 0 H VAL A 3 1.067 -1.683 -4.551 1.00 25.00 H new ATOM 0 HA VAL A 3 -0.326 -3.000 -6.569 1.00 25.00 H new ATOM 0 HB VAL A 3 0.052 -3.750 -3.626 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -0.269 -6.118 -4.347 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -1.725 -5.135 -4.629 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -0.658 -5.555 -5.990 1.00 25.00 H new ATOM 0 HG21 VAL A 3 2.003 -5.083 -4.421 1.00 25.00 H new ATOM 0 HG22 VAL A 3 1.748 -4.456 -6.067 1.00 25.00 H new ATOM 0 HG23 VAL A 3 2.205 -3.347 -4.753 1.00 25.00 H new ATOM 44 N GLU A 4 -2.192 -2.215 -3.941 1.00 25.00 N ATOM 45 CA GLU A 4 -3.555 -2.041 -3.556 1.00 25.00 C ATOM 46 C GLU A 4 -4.154 -0.867 -4.365 1.00 25.00 C ATOM 47 O GLU A 4 -5.352 -0.842 -4.592 1.00 25.00 O ATOM 48 CB GLU A 4 -3.699 -1.834 -2.048 1.00 25.00 C ATOM 49 CG GLU A 4 -2.868 -0.753 -1.454 1.00 25.00 C ATOM 50 CD GLU A 4 -2.974 -0.735 0.064 1.00 25.00 C ATOM 51 OE1 GLU A 4 -2.848 -1.742 0.733 1.00 25.00 O ATOM 52 OE2 GLU A 4 -3.158 0.431 0.565 1.00 25.00 O ATOM 0 H GLU A 4 -1.503 -2.002 -3.220 1.00 25.00 H new ATOM 0 HA GLU A 4 -4.112 -2.950 -3.783 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -4.746 -1.622 -1.829 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -3.452 -2.771 -1.548 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -1.827 -0.892 -1.745 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.184 0.211 -1.853 1.00 25.00 H new ATOM 60 N GLN A 5 -3.359 0.084 -4.820 1.00 25.00 N ATOM 61 CA GLN A 5 -3.943 1.131 -5.685 1.00 25.00 C ATOM 62 C GLN A 5 -4.430 0.633 -7.005 1.00 25.00 C ATOM 63 O GLN A 5 -5.550 0.865 -7.395 1.00 25.00 O ATOM 64 CB GLN A 5 -3.012 2.289 -5.929 1.00 25.00 C ATOM 65 CG GLN A 5 -2.984 3.205 -4.727 1.00 25.00 C ATOM 66 CD GLN A 5 -2.775 4.657 -5.074 1.00 25.00 C ATOM 67 OE1 GLN A 5 -3.518 5.251 -5.828 1.00 25.00 O ATOM 68 NE2 GLN A 5 -1.766 5.220 -4.547 1.00 25.00 N ATOM 0 H GLN A 5 -2.361 0.167 -4.628 1.00 25.00 H new ATOM 0 HA GLN A 5 -4.802 1.472 -5.108 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.008 1.919 -6.136 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -3.335 2.844 -6.810 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -3.922 3.103 -4.182 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.188 2.883 -4.055 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -1.160 4.694 -3.917 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -1.562 6.198 -4.754 1.00 25.00 H new ATOM 77 N CYS A 6 -3.611 -0.220 -7.649 1.00 25.00 N ATOM 78 CA CYS A 6 -4.023 -0.821 -8.894 1.00 25.00 C ATOM 79 C CYS A 6 -5.186 -1.821 -8.722 1.00 25.00 C ATOM 80 O CYS A 6 -5.959 -2.064 -9.641 1.00 25.00 O ATOM 81 CB CYS A 6 -2.865 -1.477 -9.634 1.00 25.00 C ATOM 82 SG CYS A 6 -2.566 -0.692 -11.255 1.00 25.00 S ATOM 0 H CYS A 6 -2.684 -0.493 -7.323 1.00 25.00 H new ATOM 0 HA CYS A 6 -4.388 0.005 -9.504 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.962 -1.413 -9.027 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -3.078 -2.536 -9.777 1.00 25.00 H new ATOM 87 N CYS A 7 -5.320 -2.367 -7.517 1.00 25.00 N ATOM 88 CA CYS A 7 -6.394 -3.285 -7.233 1.00 25.00 C ATOM 89 C CYS A 7 -7.676 -2.457 -7.040 1.00 25.00 C ATOM 90 O CYS A 7 -8.733 -2.770 -7.580 1.00 25.00 O ATOM 91 CB CYS A 7 -6.052 -4.090 -5.963 1.00 25.00 C ATOM 92 SG CYS A 7 -7.023 -5.595 -5.612 1.00 25.00 S ATOM 0 H CYS A 7 -4.696 -2.184 -6.731 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.539 -3.993 -8.049 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -5.002 -4.377 -6.023 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -6.152 -3.422 -5.108 1.00 25.00 H new ATOM 97 N THR A 8 -7.649 -1.431 -6.204 1.00 25.00 N ATOM 98 CA THR A 8 -8.882 -0.748 -5.836 1.00 25.00 C ATOM 99 C THR A 8 -9.406 0.220 -6.861 1.00 25.00 C ATOM 100 O THR A 8 -10.581 0.472 -6.917 1.00 25.00 O ATOM 101 CB THR A 8 -8.724 -0.049 -4.500 1.00 25.00 C ATOM 102 OG1 THR A 8 -10.043 0.350 -4.086 1.00 25.00 O ATOM 103 CG2 THR A 8 -7.847 1.223 -4.546 1.00 25.00 C ATOM 0 H THR A 8 -6.804 -1.057 -5.773 1.00 25.00 H new ATOM 0 HA THR A 8 -9.630 -1.538 -5.770 1.00 25.00 H new ATOM 0 HB THR A 8 -8.230 -0.745 -3.822 1.00 25.00 H new ATOM 0 HG1 THR A 8 -10.600 0.507 -4.877 1.00 25.00 H new ATOM 0 HG21 THR A 8 -7.787 1.660 -3.549 1.00 25.00 H new ATOM 0 HG22 THR A 8 -6.846 0.962 -4.889 1.00 25.00 H new ATOM 0 HG23 THR A 8 -8.289 1.945 -5.232 1.00 25.00 H new ATOM 111 N SER A 9 -8.516 0.716 -7.709 1.00 25.00 N ATOM 112 CA SER A 9 -8.881 1.636 -8.759 1.00 25.00 C ATOM 113 C SER A 9 -8.455 1.107 -10.141 1.00 25.00 C ATOM 114 O SER A 9 -8.002 -0.019 -10.279 1.00 25.00 O ATOM 115 CB SER A 9 -8.276 2.983 -8.465 1.00 25.00 C ATOM 116 OG SER A 9 -8.977 3.988 -9.169 1.00 25.00 O ATOM 0 H SER A 9 -7.522 0.487 -7.682 1.00 25.00 H new ATOM 0 HA SER A 9 -9.966 1.737 -8.789 1.00 25.00 H new ATOM 0 HB2 SER A 9 -8.314 3.183 -7.394 1.00 25.00 H new ATOM 0 HB3 SER A 9 -7.225 2.990 -8.753 1.00 25.00 H new ATOM 0 HG SER A 9 -8.580 4.862 -8.973 1.00 25.00 H new ATOM 122 N ILE A 10 -8.720 1.861 -11.169 1.00 25.00 N ATOM 123 CA ILE A 10 -8.485 1.439 -12.551 1.00 25.00 C ATOM 124 C ILE A 10 -7.055 1.815 -12.918 1.00 25.00 C ATOM 125 O ILE A 10 -6.651 2.943 -12.677 1.00 25.00 O ATOM 126 CB ILE A 10 -9.554 2.158 -13.494 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.973 1.611 -13.200 1.00 25.00 C ATOM 128 CG2 ILE A 10 -9.247 2.018 -14.966 1.00 25.00 C ATOM 129 CD1 ILE A 10 -11.217 0.145 -13.672 1.00 25.00 C ATOM 0 H ILE A 10 -9.110 2.800 -11.087 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.604 0.362 -12.674 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.503 3.222 -13.263 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -11.154 1.668 -12.127 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -11.705 2.260 -13.681 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -10.014 2.530 -15.548 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -8.274 2.461 -15.178 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.232 0.962 -15.236 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -12.236 -0.152 -13.424 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -11.072 0.081 -14.750 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.513 -0.520 -13.172 1.00 25.00 H new ATOM 141 N CYS A 11 -6.322 0.851 -13.486 1.00 25.00 N ATOM 142 CA CYS A 11 -4.940 1.038 -13.974 1.00 25.00 C ATOM 143 C CYS A 11 -4.933 1.524 -15.436 1.00 25.00 C ATOM 144 O CYS A 11 -5.909 1.317 -16.162 1.00 25.00 O ATOM 145 CB CYS A 11 -4.178 -0.281 -13.846 1.00 25.00 C ATOM 146 SG CYS A 11 -4.290 -1.108 -12.234 1.00 25.00 S ATOM 0 H CYS A 11 -6.672 -0.097 -13.624 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.451 1.801 -13.369 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.545 -0.966 -14.610 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.127 -0.094 -14.064 1.00 25.00 H new ATOM 151 N SER A 12 -3.842 2.167 -15.859 1.00 25.00 N ATOM 152 CA SER A 12 -3.738 2.717 -17.206 1.00 25.00 C ATOM 153 C SER A 12 -2.349 2.389 -17.774 1.00 25.00 C ATOM 154 O SER A 12 -1.441 2.055 -17.053 1.00 25.00 O ATOM 155 CB SER A 12 -3.928 4.225 -17.128 1.00 25.00 C ATOM 156 OG SER A 12 -4.378 4.699 -15.879 1.00 25.00 O ATOM 0 H SER A 12 -3.015 2.318 -15.281 1.00 25.00 H new ATOM 0 HA SER A 12 -4.499 2.287 -17.856 1.00 25.00 H new ATOM 0 HB2 SER A 12 -2.981 4.709 -17.365 1.00 25.00 H new ATOM 0 HB3 SER A 12 -4.641 4.528 -17.894 1.00 25.00 H new ATOM 0 HG SER A 12 -4.472 5.674 -15.914 1.00 25.00 H new ATOM 162 N LEU A 13 -2.214 2.438 -19.110 1.00 25.00 N ATOM 163 CA LEU A 13 -0.940 2.112 -19.797 1.00 25.00 C ATOM 164 C LEU A 13 0.164 2.943 -19.264 1.00 25.00 C ATOM 165 O LEU A 13 1.242 2.470 -19.010 1.00 25.00 O ATOM 166 CB LEU A 13 -1.049 2.352 -21.302 1.00 25.00 C ATOM 167 CG LEU A 13 -1.820 1.267 -22.035 1.00 25.00 C ATOM 168 CD1 LEU A 13 -2.358 1.730 -23.415 1.00 25.00 C ATOM 169 CD2 LEU A 13 -0.963 0.034 -22.175 1.00 25.00 C ATOM 0 H LEU A 13 -2.970 2.700 -19.742 1.00 25.00 H new ATOM 0 HA LEU A 13 -0.732 1.058 -19.615 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -1.536 3.312 -21.474 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -0.047 2.422 -21.724 1.00 25.00 H new ATOM 0 HG LEU A 13 -2.698 1.032 -21.433 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.899 0.911 -23.888 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -3.030 2.577 -23.278 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -1.523 2.028 -24.050 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.522 -0.740 -22.701 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -0.063 0.279 -22.739 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.684 -0.329 -21.186 1.00 25.00 H new ATOM 181 N TYR A 14 -0.095 4.221 -19.132 1.00 25.00 N ATOM 182 CA TYR A 14 0.907 5.170 -18.707 1.00 25.00 C ATOM 183 C TYR A 14 1.297 4.877 -17.251 1.00 25.00 C ATOM 184 O TYR A 14 2.449 4.908 -16.916 1.00 25.00 O ATOM 185 CB TYR A 14 0.421 6.607 -18.848 1.00 25.00 C ATOM 186 CG TYR A 14 -0.846 6.707 -19.653 1.00 25.00 C ATOM 187 CD1 TYR A 14 -0.822 6.547 -21.066 1.00 25.00 C ATOM 188 CD2 TYR A 14 -2.074 6.874 -19.008 1.00 25.00 C ATOM 189 CE1 TYR A 14 -2.018 6.570 -21.821 1.00 25.00 C ATOM 190 CE2 TYR A 14 -3.273 6.952 -19.765 1.00 25.00 C ATOM 191 CZ TYR A 14 -3.245 6.771 -21.157 1.00 25.00 C ATOM 192 OH TYR A 14 -4.441 6.808 -21.859 1.00 25.00 O ATOM 0 H TYR A 14 -1.009 4.634 -19.317 1.00 25.00 H new ATOM 0 HA TYR A 14 1.779 5.061 -19.352 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.253 7.030 -17.857 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.198 7.206 -19.323 1.00 25.00 H new ATOM 0 HD1 TYR A 14 0.123 6.406 -21.570 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -2.112 6.944 -17.931 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -1.991 6.435 -22.892 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -4.211 7.151 -19.268 1.00 25.00 H new ATOM 0 HH TYR A 14 -5.182 6.955 -21.235 1.00 25.00 H new ATOM 202 N GLN A 15 0.329 4.513 -16.427 1.00 25.00 N ATOM 203 CA GLN A 15 0.592 4.182 -15.040 1.00 25.00 C ATOM 204 C GLN A 15 1.509 2.967 -14.991 1.00 25.00 C ATOM 205 O GLN A 15 2.495 2.973 -14.272 1.00 25.00 O ATOM 206 CB GLN A 15 -0.725 3.896 -14.285 1.00 25.00 C ATOM 207 CG GLN A 15 -1.581 5.133 -13.993 1.00 25.00 C ATOM 208 CD GLN A 15 -1.113 5.853 -12.736 1.00 25.00 C ATOM 209 OE1 GLN A 15 -0.110 6.587 -12.763 1.00 25.00 O ATOM 210 NE2 GLN A 15 -1.846 5.691 -11.632 1.00 25.00 N ATOM 0 H GLN A 15 -0.651 4.439 -16.698 1.00 25.00 H new ATOM 0 HA GLN A 15 1.076 5.028 -14.552 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -1.317 3.192 -14.870 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -0.487 3.405 -13.341 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -1.537 5.815 -14.842 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -2.623 4.836 -13.876 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -2.663 5.080 -11.647 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -1.589 6.178 -10.773 1.00 25.00 H new ATOM 219 N LEU A 16 1.179 1.930 -15.778 1.00 25.00 N ATOM 220 CA LEU A 16 1.998 0.741 -15.783 1.00 25.00 C ATOM 221 C LEU A 16 3.395 0.966 -16.276 1.00 25.00 C ATOM 222 O LEU A 16 4.356 0.582 -15.602 1.00 25.00 O ATOM 223 CB LEU A 16 1.364 -0.323 -16.635 1.00 25.00 C ATOM 224 CG LEU A 16 -0.002 -0.824 -16.168 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.580 -1.581 -17.335 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.084 -1.737 -14.956 1.00 25.00 C ATOM 0 H LEU A 16 0.370 1.903 -16.398 1.00 25.00 H new ATOM 0 HA LEU A 16 2.064 0.430 -14.740 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.261 0.064 -17.649 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.044 -1.174 -16.686 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.619 0.020 -15.860 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.563 -1.968 -17.067 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.675 -0.913 -18.191 1.00 25.00 H new ATOM 0 HD13 LEU A 16 0.079 -2.410 -17.593 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.918 -2.060 -14.672 1.00 25.00 H new ATOM 0 HD22 LEU A 16 0.691 -2.609 -15.200 1.00 25.00 H new ATOM 0 HD23 LEU A 16 0.540 -1.198 -14.126 1.00 25.00 H new ATOM 238 N GLU A 17 3.524 1.665 -17.378 1.00 25.00 N ATOM 239 CA GLU A 17 4.856 2.010 -17.897 1.00 25.00 C ATOM 240 C GLU A 17 5.713 2.863 -17.015 1.00 25.00 C ATOM 241 O GLU A 17 6.948 2.739 -17.063 1.00 25.00 O ATOM 242 CB GLU A 17 4.760 2.672 -19.274 1.00 25.00 C ATOM 243 CG GLU A 17 4.581 1.728 -20.405 1.00 25.00 C ATOM 244 CD GLU A 17 5.102 2.336 -21.691 1.00 25.00 C ATOM 245 OE1 GLU A 17 5.005 3.494 -21.984 1.00 25.00 O ATOM 246 OE2 GLU A 17 5.590 1.482 -22.479 1.00 25.00 O ATOM 0 H GLU A 17 2.744 2.009 -17.937 1.00 25.00 H new ATOM 0 HA GLU A 17 5.355 1.042 -17.951 1.00 25.00 H new ATOM 0 HB2 GLU A 17 3.925 3.373 -19.268 1.00 25.00 H new ATOM 0 HB3 GLU A 17 5.665 3.256 -19.445 1.00 25.00 H new ATOM 0 HG2 GLU A 17 5.108 0.797 -20.196 1.00 25.00 H new ATOM 0 HG3 GLU A 17 3.526 1.479 -20.515 1.00 25.00 H new ATOM 254 N ASN A 18 5.090 3.699 -16.187 1.00 25.00 N ATOM 255 CA ASN A 18 5.872 4.519 -15.234 1.00 25.00 C ATOM 256 C ASN A 18 6.661 3.687 -14.214 1.00 25.00 C ATOM 257 O ASN A 18 7.573 4.189 -13.577 1.00 25.00 O ATOM 258 CB ASN A 18 4.941 5.419 -14.424 1.00 25.00 C ATOM 259 CG ASN A 18 4.671 6.759 -15.108 1.00 25.00 C ATOM 260 OD1 ASN A 18 5.586 7.353 -15.681 1.00 25.00 O ATOM 261 ND2 ASN A 18 3.453 7.255 -15.052 1.00 25.00 N ATOM 0 H ASN A 18 4.080 3.833 -16.147 1.00 25.00 H new ATOM 0 HA ASN A 18 6.570 5.086 -15.851 1.00 25.00 H new ATOM 0 HB2 ASN A 18 3.995 4.903 -14.260 1.00 25.00 H new ATOM 0 HB3 ASN A 18 5.380 5.599 -13.443 1.00 25.00 H new ATOM 0 HD21 ASN A 18 3.247 8.153 -15.490 1.00 25.00 H new ATOM 0 HD22 ASN A 18 2.715 6.741 -14.571 1.00 25.00 H new ATOM 268 N TYR A 19 6.279 2.391 -14.035 1.00 25.00 N ATOM 269 CA TYR A 19 6.966 1.543 -13.051 1.00 25.00 C ATOM 270 C TYR A 19 8.211 0.885 -13.611 1.00 25.00 C ATOM 271 O TYR A 19 8.942 0.192 -12.915 1.00 25.00 O ATOM 272 CB TYR A 19 6.015 0.393 -12.603 1.00 25.00 C ATOM 273 CG TYR A 19 4.634 0.852 -12.143 1.00 25.00 C ATOM 274 CD1 TYR A 19 4.410 2.099 -11.501 1.00 25.00 C ATOM 275 CD2 TYR A 19 3.520 0.000 -12.368 1.00 25.00 C ATOM 276 CE1 TYR A 19 3.090 2.450 -11.126 1.00 25.00 C ATOM 277 CE2 TYR A 19 2.263 0.358 -12.006 1.00 25.00 C ATOM 278 CZ TYR A 19 2.021 1.564 -11.403 1.00 25.00 C ATOM 279 OH TYR A 19 0.711 1.849 -11.107 1.00 25.00 O ATOM 0 H TYR A 19 5.524 1.934 -14.546 1.00 25.00 H new ATOM 0 HA TYR A 19 7.248 2.197 -12.225 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.894 -0.304 -13.432 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.490 -0.157 -11.791 1.00 25.00 H new ATOM 0 HD1 TYR A 19 5.233 2.769 -11.302 1.00 25.00 H new ATOM 0 HD2 TYR A 19 3.678 -0.958 -12.840 1.00 25.00 H new ATOM 0 HE1 TYR A 19 2.900 3.390 -10.630 1.00 25.00 H new ATOM 0 HE2 TYR A 19 1.442 -0.317 -12.196 1.00 25.00 H new ATOM 0 HH TYR A 19 0.143 1.100 -11.384 1.00 25.00 H new ATOM 289 N CYS A 20 8.330 0.979 -14.910 1.00 25.00 N ATOM 290 CA CYS A 20 9.414 0.349 -15.646 1.00 25.00 C ATOM 291 C CYS A 20 10.360 1.427 -16.151 1.00 25.00 C ATOM 292 O CYS A 20 10.202 2.640 -15.907 1.00 25.00 O ATOM 293 CB CYS A 20 8.826 -0.462 -16.813 1.00 25.00 C ATOM 294 SG CYS A 20 7.763 -1.860 -16.369 1.00 25.00 S ATOM 0 H CYS A 20 7.677 1.497 -15.498 1.00 25.00 H new ATOM 0 HA CYS A 20 9.972 -0.330 -15.001 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.252 0.216 -17.445 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.651 -0.839 -17.417 1.00 25.00 H new ATOM 299 N ASN A 21 11.361 1.003 -16.923 1.00 25.00 N ATOM 300 CA ASN A 21 12.351 1.925 -17.491 1.00 25.00 C ATOM 301 C ASN A 21 11.747 2.953 -18.347 1.00 25.00 C ATOM 302 O ASN A 21 10.883 2.759 -19.173 1.00 25.00 O ATOM 303 CB ASN A 21 13.482 1.163 -18.219 1.00 25.00 C ATOM 304 CG ASN A 21 14.498 2.152 -18.758 1.00 25.00 C ATOM 305 OD1 ASN A 21 14.509 2.479 -19.905 1.00 25.00 O ATOM 306 ND2 ASN A 21 15.423 2.632 -17.931 1.00 25.00 N ATOM 307 OXT ASN A 21 12.218 4.176 -18.172 1.00 25.00 O ATOM 0 H ASN A 21 11.510 0.025 -17.171 1.00 25.00 H new ATOM 0 HA ASN A 21 12.798 2.456 -16.650 1.00 25.00 H new ATOM 0 HB2 ASN A 21 13.965 0.467 -17.533 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.068 0.570 -19.035 1.00 25.00 H new ATOM 0 HD21 ASN A 21 16.134 3.275 -18.279 1.00 25.00 H new ATOM 0 HD22 ASN A 21 15.421 2.357 -16.949 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -5.360 -3.161 -25.994 1.00 25.00 N ATOM 317 CA PHE B 1 -5.380 -3.067 -24.508 1.00 25.00 C ATOM 318 C PHE B 1 -6.723 -2.609 -23.940 1.00 25.00 C ATOM 319 O PHE B 1 -7.534 -1.979 -24.578 1.00 25.00 O ATOM 320 CB PHE B 1 -4.355 -2.036 -24.098 1.00 25.00 C ATOM 321 CG PHE B 1 -3.948 -1.955 -22.636 1.00 25.00 C ATOM 322 CD1 PHE B 1 -3.008 -2.872 -22.111 1.00 25.00 C ATOM 323 CD2 PHE B 1 -4.559 -1.023 -21.728 1.00 25.00 C ATOM 324 CE1 PHE B 1 -2.612 -2.837 -20.793 1.00 25.00 C ATOM 325 CE2 PHE B 1 -4.201 -0.999 -20.399 1.00 25.00 C ATOM 326 CZ PHE B 1 -3.253 -1.916 -19.949 1.00 25.00 C ATOM 0 H1 PHE B 1 -4.421 -3.477 -26.309 1.00 25.00 H new ATOM 0 H2 PHE B 1 -6.078 -3.844 -26.308 1.00 25.00 H new ATOM 0 H3 PHE B 1 -5.567 -2.228 -26.404 1.00 25.00 H new ATOM 0 HA PHE B 1 -5.177 -4.066 -24.122 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -3.453 -2.215 -24.683 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.735 -1.057 -24.390 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -2.588 -3.623 -22.764 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -5.307 -0.334 -22.092 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -1.838 -3.493 -20.422 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.645 -0.286 -19.720 1.00 25.00 H new ATOM 0 HZ PHE B 1 -2.999 -1.918 -18.899 1.00 25.00 H new ATOM 337 N VAL B 2 -6.944 -2.966 -22.681 1.00 25.00 N ATOM 338 CA VAL B 2 -8.111 -2.527 -21.892 1.00 25.00 C ATOM 339 C VAL B 2 -7.679 -2.070 -20.498 1.00 25.00 C ATOM 340 O VAL B 2 -6.909 -2.720 -19.831 1.00 25.00 O ATOM 341 CB VAL B 2 -9.217 -3.655 -21.816 1.00 25.00 C ATOM 342 CG1 VAL B 2 -8.662 -5.013 -21.240 1.00 25.00 C ATOM 343 CG2 VAL B 2 -10.446 -3.186 -20.997 1.00 25.00 C ATOM 0 H VAL B 2 -6.314 -3.578 -22.162 1.00 25.00 H new ATOM 0 HA VAL B 2 -8.559 -1.674 -22.401 1.00 25.00 H new ATOM 0 HB VAL B 2 -9.531 -3.842 -22.843 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -9.464 -5.751 -21.211 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -7.857 -5.377 -21.879 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -8.280 -4.852 -20.232 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -11.187 -3.984 -20.964 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -10.134 -2.938 -19.982 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -10.882 -2.305 -21.468 1.00 25.00 H new ATOM 353 N ASN B 3 -8.148 -0.890 -20.106 1.00 25.00 N ATOM 354 CA ASN B 3 -7.889 -0.361 -18.763 1.00 25.00 C ATOM 355 C ASN B 3 -8.853 -1.098 -17.814 1.00 25.00 C ATOM 356 O ASN B 3 -10.046 -1.267 -18.097 1.00 25.00 O ATOM 357 CB ASN B 3 -8.106 1.149 -18.693 1.00 25.00 C ATOM 358 CG ASN B 3 -9.515 1.574 -19.122 1.00 25.00 C ATOM 359 OD1 ASN B 3 -9.848 1.514 -20.271 1.00 25.00 O ATOM 360 ND2 ASN B 3 -10.299 2.013 -18.200 1.00 25.00 N ATOM 0 H ASN B 3 -8.711 -0.278 -20.697 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.848 -0.526 -18.483 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -7.925 1.489 -17.673 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -7.374 1.645 -19.330 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -11.241 2.325 -18.437 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -9.979 2.049 -17.232 1.00 25.00 H new ATOM 367 N GLN B 4 -8.316 -1.582 -16.674 1.00 25.00 N ATOM 368 CA GLN B 4 -9.056 -2.434 -15.739 1.00 25.00 C ATOM 369 C GLN B 4 -8.413 -2.474 -14.347 1.00 25.00 C ATOM 370 O GLN B 4 -7.306 -1.946 -14.194 1.00 25.00 O ATOM 371 CB GLN B 4 -9.145 -3.855 -16.328 1.00 25.00 C ATOM 372 CG GLN B 4 -7.807 -4.573 -16.450 1.00 25.00 C ATOM 373 CD GLN B 4 -7.965 -6.103 -16.707 1.00 25.00 C ATOM 374 OE1 GLN B 4 -8.171 -6.466 -17.932 1.00 25.00 O flip ATOM 375 NE2 GLN B 4 -7.888 -6.922 -15.806 1.00 25.00 N flip ATOM 0 H GLN B 4 -7.358 -1.389 -16.383 1.00 25.00 H new ATOM 0 HA GLN B 4 -10.053 -2.012 -15.609 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -9.808 -4.453 -15.703 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.604 -3.797 -17.315 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -7.234 -4.129 -17.265 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -7.233 -4.420 -15.536 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -7.725 -6.612 -14.848 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -7.986 -7.916 -16.011 1.00 25.00 H new ATOM 384 N HIS B 5 -9.066 -3.045 -13.341 1.00 25.00 N ATOM 385 CA HIS B 5 -8.408 -3.215 -12.038 1.00 25.00 C ATOM 386 C HIS B 5 -7.383 -4.287 -12.181 1.00 25.00 C ATOM 387 O HIS B 5 -7.617 -5.245 -12.946 1.00 25.00 O ATOM 388 CB HIS B 5 -9.430 -3.664 -11.001 1.00 25.00 C ATOM 389 CG HIS B 5 -10.481 -2.628 -10.704 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.349 -1.684 -9.693 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.665 -2.330 -11.315 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.393 -0.845 -9.751 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.182 -1.205 -10.731 1.00 25.00 N ATOM 0 H HIS B 5 -10.024 -3.392 -13.392 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.957 -2.274 -11.722 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -9.917 -4.573 -11.353 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -8.910 -3.918 -10.077 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.585 -1.637 -9.019 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.117 -2.887 -12.122 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.557 -0.005 -9.093 1.00 25.00 H new ATOM 402 N LEU B 6 -6.277 -4.237 -11.452 1.00 25.00 N ATOM 403 CA LEU B 6 -5.279 -5.292 -11.519 1.00 25.00 C ATOM 404 C LEU B 6 -4.842 -5.645 -10.114 1.00 25.00 C ATOM 405 O LEU B 6 -4.533 -4.734 -9.335 1.00 25.00 O ATOM 406 CB LEU B 6 -4.040 -4.851 -12.348 1.00 25.00 C ATOM 407 CG LEU B 6 -4.320 -4.347 -13.761 1.00 25.00 C ATOM 408 CD1 LEU B 6 -3.093 -3.762 -14.279 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.797 -5.508 -14.715 1.00 25.00 C ATOM 0 H LEU B 6 -6.050 -3.478 -10.809 1.00 25.00 H new ATOM 0 HA LEU B 6 -5.724 -6.157 -12.011 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.523 -4.064 -11.799 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -3.354 -5.696 -12.415 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.123 -3.611 -13.722 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -3.265 -3.393 -15.290 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -2.785 -2.936 -13.638 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -2.309 -4.519 -14.297 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -4.985 -5.106 -15.711 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -4.023 -6.273 -14.773 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -5.713 -5.948 -14.322 1.00 25.00 H new ATOM 421 N CYS B 7 -4.806 -6.935 -9.780 1.00 25.00 N ATOM 422 CA CYS B 7 -4.468 -7.424 -8.420 1.00 25.00 C ATOM 423 C CYS B 7 -3.888 -8.827 -8.621 1.00 25.00 C ATOM 424 O CYS B 7 -4.317 -9.539 -9.553 1.00 25.00 O ATOM 425 CB CYS B 7 -5.769 -7.480 -7.585 1.00 25.00 C ATOM 426 SG CYS B 7 -5.655 -7.027 -5.823 1.00 25.00 S ATOM 0 H CYS B 7 -5.010 -7.684 -10.441 1.00 25.00 H new ATOM 0 HA CYS B 7 -3.758 -6.783 -7.897 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -6.500 -6.822 -8.055 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -6.166 -8.493 -7.647 1.00 25.00 H new ATOM 431 N GLY B 8 -2.920 -9.236 -7.822 1.00 25.00 N ATOM 432 CA GLY B 8 -2.342 -10.562 -7.997 1.00 25.00 C ATOM 433 C GLY B 8 -1.620 -10.793 -9.310 1.00 25.00 C ATOM 434 O GLY B 8 -0.822 -9.973 -9.793 1.00 25.00 O ATOM 0 H GLY B 8 -2.522 -8.686 -7.061 1.00 25.00 H new ATOM 0 HA2 GLY B 8 -1.643 -10.745 -7.181 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -3.138 -11.301 -7.906 1.00 25.00 H new ATOM 438 N SER B 9 -1.874 -11.946 -9.892 1.00 25.00 N ATOM 439 CA SER B 9 -1.209 -12.371 -11.158 1.00 25.00 C ATOM 440 C SER B 9 -1.521 -11.453 -12.344 1.00 25.00 C ATOM 441 O SER B 9 -0.749 -11.351 -13.290 1.00 25.00 O ATOM 442 CB SER B 9 -1.622 -13.819 -11.439 1.00 25.00 C ATOM 443 OG SER B 9 -1.009 -14.331 -12.606 1.00 25.00 O ATOM 0 H SER B 9 -2.538 -12.627 -9.524 1.00 25.00 H new ATOM 0 HA SER B 9 -0.129 -12.299 -11.030 1.00 25.00 H new ATOM 0 HB2 SER B 9 -1.355 -14.443 -10.586 1.00 25.00 H new ATOM 0 HB3 SER B 9 -2.705 -13.872 -11.546 1.00 25.00 H new ATOM 0 HG SER B 9 -1.476 -13.990 -13.397 1.00 25.00 H new ATOM 449 N HIS B 10 -2.648 -10.729 -12.275 1.00 25.00 N ATOM 450 CA HIS B 10 -3.002 -9.766 -13.324 1.00 25.00 C ATOM 451 C HIS B 10 -1.956 -8.676 -13.447 1.00 25.00 C ATOM 452 O HIS B 10 -1.755 -8.126 -14.493 1.00 25.00 O ATOM 453 CB HIS B 10 -4.369 -9.106 -13.011 1.00 25.00 C ATOM 454 CG HIS B 10 -5.509 -9.868 -13.585 1.00 25.00 C ATOM 455 ND1 HIS B 10 -6.582 -9.304 -14.273 1.00 25.00 N ATOM 456 CD2 HIS B 10 -5.740 -11.205 -13.635 1.00 25.00 C ATOM 457 CE1 HIS B 10 -7.370 -10.280 -14.719 1.00 25.00 C ATOM 458 NE2 HIS B 10 -6.911 -11.421 -14.293 1.00 25.00 N ATOM 0 H HIS B 10 -3.322 -10.792 -11.512 1.00 25.00 H new ATOM 0 HA HIS B 10 -3.058 -10.316 -14.264 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -4.494 -9.029 -11.931 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -4.378 -8.090 -13.406 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -5.100 -11.970 -13.221 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -8.248 -10.147 -15.334 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -7.356 -12.328 -14.430 1.00 25.00 H new ATOM 467 N LEU B 11 -1.363 -8.287 -12.343 1.00 25.00 N ATOM 468 CA LEU B 11 -0.457 -7.114 -12.372 1.00 25.00 C ATOM 469 C LEU B 11 0.843 -7.494 -13.028 1.00 25.00 C ATOM 470 O LEU B 11 1.320 -6.806 -13.920 1.00 25.00 O ATOM 471 CB LEU B 11 -0.201 -6.578 -10.955 1.00 25.00 C ATOM 472 CG LEU B 11 -0.568 -5.094 -10.726 1.00 25.00 C ATOM 473 CD1 LEU B 11 -0.401 -4.811 -9.235 1.00 25.00 C ATOM 474 CD2 LEU B 11 0.266 -4.062 -11.545 1.00 25.00 C ATOM 0 H LEU B 11 -1.471 -8.733 -11.432 1.00 25.00 H new ATOM 0 HA LEU B 11 -0.935 -6.322 -12.949 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -0.765 -7.186 -10.248 1.00 25.00 H new ATOM 0 HB3 LEU B 11 0.855 -6.713 -10.720 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.591 -4.963 -11.078 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -0.652 -3.770 -9.032 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -1.064 -5.462 -8.665 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.632 -4.999 -8.942 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -0.072 -3.053 -11.310 1.00 25.00 H new ATOM 0 HD22 LEU B 11 1.321 -4.161 -11.288 1.00 25.00 H new ATOM 0 HD23 LEU B 11 0.133 -4.250 -12.610 1.00 25.00 H new ATOM 486 N VAL B 12 1.420 -8.644 -12.633 1.00 25.00 N ATOM 487 CA VAL B 12 2.714 -9.050 -13.194 1.00 25.00 C ATOM 488 C VAL B 12 2.515 -9.346 -14.669 1.00 25.00 C ATOM 489 O VAL B 12 3.364 -9.022 -15.462 1.00 25.00 O ATOM 490 CB VAL B 12 3.320 -10.266 -12.422 1.00 25.00 C ATOM 491 CG1 VAL B 12 2.238 -11.272 -12.056 1.00 25.00 C ATOM 492 CG2 VAL B 12 4.457 -10.900 -13.186 1.00 25.00 C ATOM 0 H VAL B 12 1.023 -9.288 -11.949 1.00 25.00 H new ATOM 0 HA VAL B 12 3.438 -8.243 -13.083 1.00 25.00 H new ATOM 0 HB VAL B 12 3.744 -9.894 -11.489 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.686 -12.109 -11.520 1.00 25.00 H new ATOM 0 HG12 VAL B 12 1.493 -10.791 -11.422 1.00 25.00 H new ATOM 0 HG13 VAL B 12 1.759 -11.638 -12.964 1.00 25.00 H new ATOM 0 HG21 VAL B 12 4.853 -11.742 -12.618 1.00 25.00 H new ATOM 0 HG22 VAL B 12 4.095 -11.252 -14.152 1.00 25.00 H new ATOM 0 HG23 VAL B 12 5.246 -10.164 -13.341 1.00 25.00 H new ATOM 502 N GLU B 13 1.339 -9.897 -15.014 1.00 25.00 N ATOM 503 CA GLU B 13 1.008 -10.199 -16.420 1.00 25.00 C ATOM 504 C GLU B 13 0.889 -8.910 -17.294 1.00 25.00 C ATOM 505 O GLU B 13 1.295 -8.903 -18.476 1.00 25.00 O ATOM 506 CB GLU B 13 -0.311 -10.933 -16.527 1.00 25.00 C ATOM 507 CG GLU B 13 -0.195 -12.461 -16.206 1.00 25.00 C ATOM 508 CD GLU B 13 -1.545 -13.133 -16.186 1.00 25.00 C ATOM 509 OE1 GLU B 13 -2.024 -13.667 -15.188 1.00 25.00 O ATOM 510 OE2 GLU B 13 -2.171 -13.077 -17.293 1.00 25.00 O ATOM 0 H GLU B 13 0.607 -10.141 -14.347 1.00 25.00 H new ATOM 0 HA GLU B 13 1.828 -10.817 -16.786 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.029 -10.478 -15.844 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -0.707 -10.809 -17.535 1.00 25.00 H new ATOM 0 HG2 GLU B 13 0.439 -12.942 -16.951 1.00 25.00 H new ATOM 0 HG3 GLU B 13 0.291 -12.594 -15.240 1.00 25.00 H new ATOM 518 N ALA B 14 0.330 -7.860 -16.698 1.00 25.00 N ATOM 519 CA ALA B 14 0.169 -6.586 -17.402 1.00 25.00 C ATOM 520 C ALA B 14 1.536 -5.941 -17.686 1.00 25.00 C ATOM 521 O ALA B 14 1.817 -5.491 -18.778 1.00 25.00 O ATOM 522 CB ALA B 14 -0.690 -5.645 -16.617 1.00 25.00 C ATOM 0 H ALA B 14 -0.017 -7.863 -15.739 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.323 -6.792 -18.352 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.794 -4.707 -17.162 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -1.674 -6.089 -16.468 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -0.228 -5.453 -15.648 1.00 25.00 H new ATOM 528 N LEU B 15 2.381 -5.971 -16.668 1.00 25.00 N ATOM 529 CA LEU B 15 3.675 -5.414 -16.786 1.00 25.00 C ATOM 530 C LEU B 15 4.581 -6.179 -17.706 1.00 25.00 C ATOM 531 O LEU B 15 5.283 -5.568 -18.494 1.00 25.00 O ATOM 532 CB LEU B 15 4.300 -5.284 -15.408 1.00 25.00 C ATOM 533 CG LEU B 15 3.513 -4.394 -14.421 1.00 25.00 C ATOM 534 CD1 LEU B 15 4.077 -4.561 -13.062 1.00 25.00 C ATOM 535 CD2 LEU B 15 3.594 -2.928 -14.825 1.00 25.00 C ATOM 0 H LEU B 15 2.173 -6.381 -15.758 1.00 25.00 H new ATOM 0 HA LEU B 15 3.555 -4.430 -17.240 1.00 25.00 H new ATOM 0 HB2 LEU B 15 4.402 -6.279 -14.976 1.00 25.00 H new ATOM 0 HB3 LEU B 15 5.306 -4.879 -15.518 1.00 25.00 H new ATOM 0 HG LEU B 15 2.466 -4.698 -14.436 1.00 25.00 H new ATOM 0 HD11 LEU B 15 3.526 -3.935 -12.360 1.00 25.00 H new ATOM 0 HD12 LEU B 15 3.995 -5.605 -12.760 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.126 -4.266 -13.065 1.00 25.00 H new ATOM 0 HD21 LEU B 15 3.032 -2.323 -14.114 1.00 25.00 H new ATOM 0 HD22 LEU B 15 4.636 -2.609 -14.829 1.00 25.00 H new ATOM 0 HD23 LEU B 15 3.172 -2.802 -15.822 1.00 25.00 H new ATOM 547 N TYR B 16 4.448 -7.475 -17.736 1.00 25.00 N ATOM 548 CA TYR B 16 5.220 -8.330 -18.648 1.00 25.00 C ATOM 549 C TYR B 16 4.822 -8.023 -20.100 1.00 25.00 C ATOM 550 O TYR B 16 5.677 -7.996 -21.000 1.00 25.00 O ATOM 551 CB TYR B 16 4.941 -9.817 -18.338 1.00 25.00 C ATOM 552 CG TYR B 16 5.528 -10.787 -19.382 1.00 25.00 C ATOM 553 CD1 TYR B 16 6.930 -11.028 -19.445 1.00 25.00 C ATOM 554 CD2 TYR B 16 4.686 -11.407 -20.362 1.00 25.00 C ATOM 555 CE1 TYR B 16 7.454 -11.890 -20.453 1.00 25.00 C ATOM 556 CE2 TYR B 16 5.200 -12.264 -21.332 1.00 25.00 C ATOM 557 CZ TYR B 16 6.587 -12.501 -21.390 1.00 25.00 C ATOM 558 OH TYR B 16 7.066 -13.335 -22.378 1.00 25.00 O ATOM 0 H TYR B 16 3.804 -7.988 -17.134 1.00 25.00 H new ATOM 0 HA TYR B 16 6.283 -8.131 -18.512 1.00 25.00 H new ATOM 0 HB2 TYR B 16 5.353 -10.058 -17.358 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.864 -9.971 -18.277 1.00 25.00 H new ATOM 0 HD1 TYR B 16 7.593 -10.560 -18.733 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.625 -11.204 -20.348 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.517 -12.077 -20.502 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.538 -12.745 -22.037 1.00 25.00 H new ATOM 0 HH TYR B 16 6.319 -13.659 -22.923 1.00 25.00 H new ATOM 568 N LEU B 17 3.537 -7.791 -20.331 1.00 25.00 N ATOM 569 CA LEU B 17 3.079 -7.449 -21.667 1.00 25.00 C ATOM 570 C LEU B 17 3.471 -5.967 -22.056 1.00 25.00 C ATOM 571 O LEU B 17 3.807 -5.696 -23.190 1.00 25.00 O ATOM 572 CB LEU B 17 1.545 -7.586 -21.709 1.00 25.00 C ATOM 573 CG LEU B 17 0.971 -9.017 -21.726 1.00 25.00 C ATOM 574 CD1 LEU B 17 -0.543 -9.048 -21.518 1.00 25.00 C ATOM 575 CD2 LEU B 17 1.350 -9.720 -23.029 1.00 25.00 C ATOM 0 H LEU B 17 2.805 -7.833 -19.622 1.00 25.00 H new ATOM 0 HA LEU B 17 3.555 -8.124 -22.378 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.135 -7.066 -20.843 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.182 -7.065 -22.595 1.00 25.00 H new ATOM 0 HG LEU B 17 1.413 -9.551 -20.885 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -0.892 -10.080 -21.539 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.787 -8.602 -20.554 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.031 -8.484 -22.313 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.940 -10.730 -23.030 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.946 -9.163 -23.874 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.436 -9.770 -23.113 1.00 25.00 H new ATOM 587 N VAL B 18 3.377 -5.030 -21.107 1.00 25.00 N ATOM 588 CA VAL B 18 3.646 -3.643 -21.445 1.00 25.00 C ATOM 589 C VAL B 18 5.154 -3.299 -21.513 1.00 25.00 C ATOM 590 O VAL B 18 5.603 -2.580 -22.369 1.00 25.00 O ATOM 591 CB VAL B 18 2.841 -2.625 -20.586 1.00 25.00 C ATOM 592 CG1 VAL B 18 3.467 -2.336 -19.268 1.00 25.00 C ATOM 593 CG2 VAL B 18 2.540 -1.375 -21.349 1.00 25.00 C ATOM 0 H VAL B 18 3.125 -5.204 -20.134 1.00 25.00 H new ATOM 0 HA VAL B 18 3.273 -3.535 -22.463 1.00 25.00 H new ATOM 0 HB VAL B 18 1.892 -3.110 -20.359 1.00 25.00 H new ATOM 0 HG11 VAL B 18 2.853 -1.619 -18.723 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.546 -3.258 -18.692 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.462 -1.918 -19.422 1.00 25.00 H new ATOM 0 HG21 VAL B 18 1.977 -0.689 -20.716 1.00 25.00 H new ATOM 0 HG22 VAL B 18 3.473 -0.903 -21.656 1.00 25.00 H new ATOM 0 HG23 VAL B 18 1.950 -1.621 -22.232 1.00 25.00 H new ATOM 603 N CYS B 19 5.940 -3.854 -20.584 1.00 25.00 N ATOM 604 CA CYS B 19 7.398 -3.577 -20.476 1.00 25.00 C ATOM 605 C CYS B 19 8.227 -4.658 -21.171 1.00 25.00 C ATOM 606 O CYS B 19 9.419 -4.453 -21.403 1.00 25.00 O ATOM 607 CB CYS B 19 7.789 -3.474 -18.999 1.00 25.00 C ATOM 608 SG CYS B 19 6.759 -2.271 -18.081 1.00 25.00 S ATOM 0 H CYS B 19 5.595 -4.508 -19.882 1.00 25.00 H new ATOM 0 HA CYS B 19 7.607 -2.632 -20.977 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.697 -4.455 -18.533 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.836 -3.182 -18.924 1.00 25.00 H new ATOM 613 N GLY B 20 7.628 -5.751 -21.506 1.00 25.00 N ATOM 614 CA GLY B 20 8.310 -6.806 -22.229 1.00 25.00 C ATOM 615 C GLY B 20 9.463 -7.395 -21.443 1.00 25.00 C ATOM 616 O GLY B 20 9.309 -7.706 -20.265 1.00 25.00 O ATOM 0 H GLY B 20 6.651 -5.952 -21.293 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.598 -7.595 -22.471 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.683 -6.412 -23.175 1.00 25.00 H new ATOM 620 N GLU B 21 10.552 -7.685 -22.123 1.00 25.00 N ATOM 621 CA GLU B 21 11.706 -8.375 -21.523 1.00 25.00 C ATOM 622 C GLU B 21 12.350 -7.605 -20.405 1.00 25.00 C ATOM 623 O GLU B 21 13.177 -8.140 -19.706 1.00 25.00 O ATOM 624 CB GLU B 21 12.766 -8.613 -22.598 1.00 25.00 C ATOM 625 CG GLU B 21 13.466 -7.359 -23.116 1.00 25.00 C ATOM 626 CD GLU B 21 14.180 -7.611 -24.443 1.00 25.00 C ATOM 627 OE1 GLU B 21 15.103 -8.368 -24.605 1.00 25.00 O ATOM 628 OE2 GLU B 21 13.693 -6.959 -25.432 1.00 25.00 O ATOM 0 H GLU B 21 10.676 -7.455 -23.109 1.00 25.00 H new ATOM 0 HA GLU B 21 11.324 -9.308 -21.108 1.00 25.00 H new ATOM 0 HB2 GLU B 21 13.520 -9.290 -22.197 1.00 25.00 H new ATOM 0 HB3 GLU B 21 12.297 -9.121 -23.441 1.00 25.00 H new ATOM 0 HG2 GLU B 21 12.734 -6.561 -23.243 1.00 25.00 H new ATOM 0 HG3 GLU B 21 14.188 -7.014 -22.375 1.00 25.00 H new ATOM 636 N ARG B 22 11.999 -6.323 -20.269 1.00 25.00 N ATOM 637 CA ARG B 22 12.635 -5.497 -19.267 1.00 25.00 C ATOM 638 C ARG B 22 12.190 -5.923 -17.917 1.00 25.00 C ATOM 639 O ARG B 22 12.938 -5.738 -16.923 1.00 25.00 O ATOM 640 CB ARG B 22 12.221 -4.015 -19.432 1.00 25.00 C ATOM 641 CG ARG B 22 13.249 -3.080 -20.150 1.00 25.00 C ATOM 642 CD ARG B 22 14.654 -3.041 -19.441 1.00 25.00 C ATOM 643 NE ARG B 22 14.577 -2.619 -18.035 1.00 25.00 N ATOM 644 CZ ARG B 22 15.583 -2.658 -17.156 1.00 25.00 C ATOM 645 NH1 ARG B 22 16.832 -2.993 -17.503 1.00 25.00 N ATOM 646 NH2 ARG B 22 15.385 -2.296 -15.914 1.00 25.00 N ATOM 0 H ARG B 22 11.291 -5.852 -20.833 1.00 25.00 H new ATOM 0 HA ARG B 22 13.713 -5.603 -19.385 1.00 25.00 H new ATOM 0 HB2 ARG B 22 11.284 -3.982 -19.988 1.00 25.00 H new ATOM 0 HB3 ARG B 22 12.019 -3.605 -18.442 1.00 25.00 H new ATOM 0 HG2 ARG B 22 13.378 -3.415 -21.179 1.00 25.00 H new ATOM 0 HG3 ARG B 22 12.843 -2.069 -20.193 1.00 25.00 H new ATOM 0 HD2 ARG B 22 15.109 -4.030 -19.493 1.00 25.00 H new ATOM 0 HD3 ARG B 22 15.310 -2.360 -19.984 1.00 25.00 H new ATOM 0 HE ARG B 22 13.680 -2.267 -17.702 1.00 25.00 H new ATOM 0 HH11 ARG B 22 17.046 -3.231 -18.471 1.00 25.00 H new ATOM 0 HH12 ARG B 22 17.570 -3.010 -16.799 1.00 25.00 H new ATOM 0 HH21 ARG B 22 14.461 -1.983 -15.615 1.00 25.00 H new ATOM 0 HH22 ARG B 22 16.154 -2.327 -15.245 1.00 25.00 H new ATOM 660 N GLY B 23 10.963 -6.413 -17.818 1.00 25.00 N ATOM 661 CA GLY B 23 10.354 -6.680 -16.518 1.00 25.00 C ATOM 662 C GLY B 23 10.102 -5.426 -15.690 1.00 25.00 C ATOM 663 O GLY B 23 9.971 -4.315 -16.224 1.00 25.00 O ATOM 0 H GLY B 23 10.369 -6.634 -18.617 1.00 25.00 H new ATOM 0 HA2 GLY B 23 9.408 -7.200 -16.670 1.00 25.00 H new ATOM 0 HA3 GLY B 23 11.001 -7.352 -15.955 1.00 25.00 H new ATOM 667 N PHE B 24 10.029 -5.584 -14.392 1.00 25.00 N ATOM 668 CA PHE B 24 9.754 -4.470 -13.478 1.00 25.00 C ATOM 669 C PHE B 24 10.291 -4.889 -12.118 1.00 25.00 C ATOM 670 O PHE B 24 10.666 -6.029 -11.945 1.00 25.00 O ATOM 671 CB PHE B 24 8.236 -4.263 -13.343 1.00 25.00 C ATOM 672 CG PHE B 24 7.528 -5.519 -12.926 1.00 25.00 C ATOM 673 CD1 PHE B 24 7.441 -5.908 -11.560 1.00 25.00 C ATOM 674 CD2 PHE B 24 6.977 -6.381 -13.891 1.00 25.00 C ATOM 675 CE1 PHE B 24 6.853 -7.106 -11.208 1.00 25.00 C ATOM 676 CE2 PHE B 24 6.421 -7.609 -13.521 1.00 25.00 C ATOM 677 CZ PHE B 24 6.330 -7.959 -12.180 1.00 25.00 C ATOM 0 H PHE B 24 10.156 -6.482 -13.926 1.00 25.00 H new ATOM 0 HA PHE B 24 10.210 -3.550 -13.845 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.042 -3.478 -12.612 1.00 25.00 H new ATOM 0 HB3 PHE B 24 7.832 -3.919 -14.295 1.00 25.00 H new ATOM 0 HD1 PHE B 24 7.838 -5.260 -10.792 1.00 25.00 H new ATOM 0 HD2 PHE B 24 6.984 -6.090 -14.931 1.00 25.00 H new ATOM 0 HE1 PHE B 24 6.797 -7.387 -10.167 1.00 25.00 H new ATOM 0 HE2 PHE B 24 6.061 -8.288 -14.280 1.00 25.00 H new ATOM 0 HZ PHE B 24 5.857 -8.886 -11.891 1.00 25.00 H new ATOM 687 N PHE B 25 10.334 -3.979 -11.148 1.00 25.00 N ATOM 688 CA PHE B 25 10.883 -4.285 -9.803 1.00 25.00 C ATOM 689 C PHE B 25 9.733 -4.004 -8.759 1.00 25.00 C ATOM 690 O PHE B 25 9.318 -2.865 -8.497 1.00 25.00 O ATOM 691 CB PHE B 25 12.144 -3.435 -9.515 1.00 25.00 C ATOM 692 CG PHE B 25 12.829 -3.753 -8.206 1.00 25.00 C ATOM 693 CD1 PHE B 25 13.800 -4.746 -8.113 1.00 25.00 C ATOM 694 CD2 PHE B 25 12.530 -2.991 -7.036 1.00 25.00 C ATOM 695 CE1 PHE B 25 14.475 -5.007 -6.882 1.00 25.00 C ATOM 696 CE2 PHE B 25 13.200 -3.256 -5.806 1.00 25.00 C ATOM 697 CZ PHE B 25 14.163 -4.269 -5.729 1.00 25.00 C ATOM 0 H PHE B 25 9.999 -3.021 -11.255 1.00 25.00 H new ATOM 0 HA PHE B 25 11.199 -5.326 -9.738 1.00 25.00 H new ATOM 0 HB2 PHE B 25 12.856 -3.578 -10.327 1.00 25.00 H new ATOM 0 HB3 PHE B 25 11.865 -2.381 -9.518 1.00 25.00 H new ATOM 0 HD1 PHE B 25 14.047 -5.329 -8.988 1.00 25.00 H new ATOM 0 HD2 PHE B 25 11.789 -2.206 -7.083 1.00 25.00 H new ATOM 0 HE1 PHE B 25 15.231 -5.777 -6.838 1.00 25.00 H new ATOM 0 HE2 PHE B 25 12.963 -2.672 -4.929 1.00 25.00 H new ATOM 0 HZ PHE B 25 14.660 -4.480 -4.794 1.00 25.00 H new HETATM 707 N NVA B 26 9.243 -5.116 -8.198 1.00 25.00 N HETATM 708 CA NVA B 26 8.134 -5.186 -7.202 1.00 25.00 C HETATM 709 CB NVA B 26 7.079 -6.257 -7.597 1.00 25.00 C HETATM 710 CG NVA B 26 7.521 -7.712 -7.425 1.00 25.00 C HETATM 711 CD NVA B 26 6.351 -8.707 -7.102 1.00 25.00 C HETATM 712 C NVA B 26 8.643 -5.326 -5.755 1.00 25.00 C HETATM 713 O NVA B 26 7.856 -5.483 -4.832 1.00 25.00 O HETATM 0 HG3 NVA B 26 8.019 -8.039 -8.338 1.00 25.00 H new HETATM 0 HG2 NVA B 26 8.258 -7.764 -6.624 1.00 25.00 H new HETATM 0 HD3 NVA B 26 5.866 -8.409 -6.173 1.00 25.00 H new HETATM 0 HD2 NVA B 26 5.623 -8.688 -7.913 1.00 25.00 H new HETATM 0 HB3 NVA B 26 6.182 -6.095 -7.000 1.00 25.00 H new HETATM 0 HB2 NVA B 26 6.801 -6.101 -8.639 1.00 25.00 H new HETATM 0 HA NVA B 26 7.617 -4.227 -7.225 1.00 25.00 H new ATOM 722 N THR B 27 10.000 -5.256 -5.563 1.00 25.00 N ATOM 723 CA THR B 27 10.758 -5.526 -4.318 1.00 25.00 C ATOM 724 C THR B 27 10.672 -7.030 -4.031 1.00 25.00 C ATOM 725 O THR B 27 9.900 -7.725 -4.703 1.00 25.00 O ATOM 726 CB THR B 27 10.301 -4.618 -3.109 1.00 25.00 C ATOM 727 OG1 THR B 27 9.118 -5.133 -2.512 1.00 25.00 O ATOM 728 CG2 THR B 27 9.990 -3.149 -3.504 1.00 25.00 C ATOM 0 H THR B 27 10.621 -4.992 -6.328 1.00 25.00 H new ATOM 0 HA THR B 27 11.804 -5.253 -4.456 1.00 25.00 H new ATOM 0 HB THR B 27 11.149 -4.628 -2.424 1.00 25.00 H new ATOM 0 HG1 THR B 27 8.393 -5.137 -3.172 1.00 25.00 H new ATOM 0 HG21 THR B 27 9.683 -2.591 -2.619 1.00 25.00 H new ATOM 0 HG22 THR B 27 10.882 -2.690 -3.931 1.00 25.00 H new ATOM 0 HG23 THR B 27 9.186 -3.133 -4.240 1.00 25.00 H new ATOM 736 N PRO B 28 11.498 -7.567 -3.098 1.00 25.00 N ATOM 737 CA PRO B 28 11.376 -9.034 -2.982 1.00 25.00 C ATOM 738 C PRO B 28 10.048 -9.505 -2.405 1.00 25.00 C ATOM 739 O PRO B 28 9.441 -8.838 -1.596 1.00 25.00 O ATOM 740 CB PRO B 28 12.551 -9.418 -2.075 1.00 25.00 C ATOM 741 CG PRO B 28 12.834 -8.217 -1.280 1.00 25.00 C ATOM 742 CD PRO B 28 12.504 -7.016 -2.167 1.00 25.00 C ATOM 0 HA PRO B 28 11.401 -9.510 -3.962 1.00 25.00 H new ATOM 0 HB2 PRO B 28 12.294 -10.262 -1.435 1.00 25.00 H new ATOM 0 HB3 PRO B 28 13.420 -9.715 -2.662 1.00 25.00 H new ATOM 0 HG2 PRO B 28 12.233 -8.204 -0.371 1.00 25.00 H new ATOM 0 HG3 PRO B 28 13.879 -8.195 -0.971 1.00 25.00 H new ATOM 0 HD2 PRO B 28 12.106 -6.182 -1.588 1.00 25.00 H new ATOM 0 HD3 PRO B 28 13.384 -6.647 -2.694 1.00 25.00 H new HETATM 750 N HIX B 29 9.613 -10.644 -2.967 1.00 25.00 N HETATM 751 CA HIX B 29 8.367 -11.351 -2.670 1.00 25.00 C HETATM 752 C HIX B 29 8.557 -12.187 -1.364 1.00 25.00 C HETATM 753 O HIX B 29 8.827 -13.355 -1.354 1.00 25.00 O HETATM 754 CB HIX B 29 7.999 -12.287 -3.901 1.00 25.00 C HETATM 755 CG HIX B 29 7.502 -11.497 -5.142 1.00 25.00 C HETATM 756 CD2 HIX B 29 7.301 -10.152 -5.205 1.00 25.00 C HETATM 757 ND1 HIX B 29 7.099 -12.024 -6.381 1.00 25.00 N HETATM 758 NE1 HIX B 29 6.650 -11.081 -7.281 1.00 25.00 N HETATM 759 NE2 HIX B 29 6.788 -9.950 -6.451 1.00 25.00 N ATOM 766 N THR B 30 8.439 -11.503 -0.190 1.00 25.00 N ATOM 767 CA THR B 30 8.714 -12.155 1.178 1.00 25.00 C ATOM 768 C THR B 30 7.950 -11.546 2.318 1.00 25.00 C ATOM 769 O THR B 30 7.402 -12.134 3.185 1.00 25.00 O ATOM 770 CB THR B 30 10.245 -12.115 1.476 1.00 25.00 C ATOM 771 OG1 THR B 30 10.894 -11.414 0.452 1.00 25.00 O ATOM 772 CG2 THR B 30 10.841 -13.533 1.533 1.00 25.00 C ATOM 773 OXT THR B 30 8.030 -10.252 2.324 1.00 25.00 O ATOM 0 H THR B 30 8.163 -10.522 -0.135 1.00 25.00 H new ATOM 0 HA THR B 30 8.360 -13.183 1.103 1.00 25.00 H new ATOM 0 HB THR B 30 10.387 -11.628 2.441 1.00 25.00 H new ATOM 0 HG1 THR B 30 11.856 -11.384 0.635 1.00 25.00 H new ATOM 0 HG21 THR B 30 11.909 -13.471 1.742 1.00 25.00 H new ATOM 0 HG22 THR B 30 10.349 -14.103 2.321 1.00 25.00 H new ATOM 0 HG23 THR B 30 10.687 -14.031 0.576 1.00 25.00 H new TER 782 THR B 30