USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 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 Set 1.1: A 12 SER OG : rot 180:sc= 0.039 USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: B 3 ASN : amide:sc= 0.0678 X(o=0.11,f=-0.026) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.784 (180deg=-0.486!) USER MOD Single : A 5 GLN : amide:sc= 0.536 K(o=0.54,f=-0.013) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0629 USER MOD Single : A 15 GLN : amide:sc= 0.351 K(o=0.35,f=-3.6!) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.697 K(o=0.7,f=-0.0034) USER MOD Single : B 1 PHE N :NH3+ -107:sc= 0.0551 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= 0.0599 X(o=0.06,f=-0.048) USER MOD Single : B 5 HIS :FLIP no HE2:sc= -1.14 F(o=-2,f=-1.1) USER MOD Single : B 9 SER OG : rot 180:sc= 0 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 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 35:sc= 0.157 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0229 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.047 -4.593 2.461 1.00 0.00 N ATOM 2 CA GLY A 1 5.215 -3.795 1.227 1.00 0.00 C ATOM 3 C GLY A 1 4.443 -4.368 0.045 1.00 0.00 C ATOM 4 O GLY A 1 3.360 -3.885 -0.279 1.00 0.00 O ATOM 0 H1 GLY A 1 4.888 -3.956 3.267 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.230 -5.228 2.355 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.905 -5.157 2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.882 -2.774 1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.274 -3.744 0.974 1.00 0.00 H new ATOM 10 N ILE A 2 5.006 -5.368 -0.650 1.00 0.00 N ATOM 11 CA ILE A 2 4.492 -5.861 -1.951 1.00 0.00 C ATOM 12 C ILE A 2 3.120 -6.544 -1.875 1.00 0.00 C ATOM 13 O ILE A 2 2.316 -6.382 -2.790 1.00 0.00 O ATOM 14 CB ILE A 2 5.553 -6.760 -2.643 1.00 0.00 C ATOM 15 CG1 ILE A 2 5.159 -7.215 -4.065 1.00 0.00 C ATOM 16 CG2 ILE A 2 5.926 -8.003 -1.810 1.00 0.00 C ATOM 17 CD1 ILE A 2 4.897 -6.080 -5.060 1.00 0.00 C ATOM 0 H ILE A 2 5.837 -5.865 -0.329 1.00 0.00 H new ATOM 0 HA ILE A 2 4.319 -4.978 -2.566 1.00 0.00 H new ATOM 0 HB ILE A 2 6.423 -6.108 -2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.953 -7.848 -4.460 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.263 -7.832 -3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 2 6.671 -8.590 -2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.335 -7.688 -0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.036 -8.610 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.628 -6.500 -6.029 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.080 -5.457 -4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.797 -5.474 -5.165 1.00 0.00 H new ATOM 29 N VAL A 3 2.807 -7.256 -0.791 1.00 0.00 N ATOM 30 CA VAL A 3 1.512 -7.952 -0.629 1.00 0.00 C ATOM 31 C VAL A 3 0.369 -6.929 -0.605 1.00 0.00 C ATOM 32 O VAL A 3 -0.643 -7.102 -1.280 1.00 0.00 O ATOM 33 CB VAL A 3 1.502 -8.860 0.627 1.00 0.00 C ATOM 34 CG1 VAL A 3 0.150 -9.558 0.853 1.00 0.00 C ATOM 35 CG2 VAL A 3 2.580 -9.954 0.519 1.00 0.00 C ATOM 0 H VAL A 3 3.437 -7.371 0.003 1.00 0.00 H new ATOM 0 HA VAL A 3 1.364 -8.611 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 3 1.700 -8.196 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 3 0.206 -10.179 1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.630 -8.807 0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.086 -10.183 -0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.555 -10.579 1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.388 -10.569 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.562 -9.490 0.429 1.00 0.00 H new ATOM 45 N GLU A 4 0.581 -5.805 0.078 1.00 0.00 N ATOM 46 CA GLU A 4 -0.339 -4.672 0.148 1.00 0.00 C ATOM 47 C GLU A 4 -0.427 -3.861 -1.166 1.00 0.00 C ATOM 48 O GLU A 4 -1.149 -2.863 -1.220 1.00 0.00 O ATOM 49 CB GLU A 4 0.051 -3.752 1.315 1.00 0.00 C ATOM 50 CG GLU A 4 0.326 -4.459 2.654 1.00 0.00 C ATOM 51 CD GLU A 4 1.821 -4.737 2.858 1.00 0.00 C ATOM 52 OE1 GLU A 4 2.393 -5.618 2.174 1.00 0.00 O1- ATOM 53 OE2 GLU A 4 2.471 -4.045 3.676 1.00 0.00 O ATOM 0 H GLU A 4 1.432 -5.653 0.619 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.332 -5.090 0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.942 -3.191 1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.748 -3.026 1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.043 -3.842 3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.226 -5.398 2.689 1.00 0.00 H new ATOM 60 N GLN A 5 0.285 -4.267 -2.227 1.00 0.00 N ATOM 61 CA GLN A 5 0.135 -3.736 -3.583 1.00 0.00 C ATOM 62 C GLN A 5 -0.430 -4.796 -4.544 1.00 0.00 C ATOM 63 O GLN A 5 -1.405 -4.515 -5.241 1.00 0.00 O ATOM 64 CB GLN A 5 1.490 -3.189 -4.063 1.00 0.00 C ATOM 65 CG GLN A 5 1.480 -2.642 -5.502 1.00 0.00 C ATOM 66 CD GLN A 5 0.488 -1.497 -5.732 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.821 -0.322 -5.639 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.764 -1.783 -6.029 1.00 0.00 N ATOM 0 H GLN A 5 0.999 -4.993 -2.161 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.587 -2.920 -3.571 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.808 -2.395 -3.387 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.234 -3.983 -3.994 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.482 -2.295 -5.754 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.243 -3.456 -6.187 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.059 -2.756 -6.111 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.437 -1.031 -6.177 1.00 0.00 H new ATOM 77 N CYS A 6 0.164 -5.995 -4.608 1.00 0.00 N ATOM 78 CA CYS A 6 -0.135 -6.978 -5.662 1.00 0.00 C ATOM 79 C CYS A 6 -1.098 -8.107 -5.252 1.00 0.00 C ATOM 80 O CYS A 6 -1.756 -8.699 -6.107 1.00 0.00 O ATOM 81 CB CYS A 6 1.178 -7.534 -6.212 1.00 0.00 C ATOM 82 SG CYS A 6 1.054 -7.975 -7.966 1.00 0.00 S ATOM 0 H CYS A 6 0.862 -6.311 -3.935 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.680 -6.442 -6.439 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.967 -6.794 -6.080 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.467 -8.414 -5.637 1.00 0.00 H new ATOM 87 N CYS A 7 -1.240 -8.398 -3.953 1.00 0.00 N ATOM 88 CA CYS A 7 -2.300 -9.300 -3.460 1.00 0.00 C ATOM 89 C CYS A 7 -3.675 -8.614 -3.384 1.00 0.00 C ATOM 90 O CYS A 7 -4.706 -9.269 -3.565 1.00 0.00 O ATOM 91 CB CYS A 7 -1.884 -9.905 -2.112 1.00 0.00 C ATOM 92 SG CYS A 7 -2.910 -11.274 -1.506 1.00 0.00 S ATOM 0 H CYS A 7 -0.636 -8.024 -3.221 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.416 -10.107 -4.183 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.856 -10.257 -2.196 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.890 -9.113 -1.363 1.00 0.00 H new ATOM 97 N THR A 8 -3.690 -7.292 -3.154 1.00 0.00 N ATOM 98 CA THR A 8 -4.906 -6.458 -3.098 1.00 0.00 C ATOM 99 C THR A 8 -5.360 -5.966 -4.478 1.00 0.00 C ATOM 100 O THR A 8 -6.560 -5.822 -4.709 1.00 0.00 O ATOM 101 CB THR A 8 -4.684 -5.297 -2.117 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.930 -4.716 -1.806 1.00 0.00 O ATOM 103 CG2 THR A 8 -3.758 -4.223 -2.681 1.00 0.00 C ATOM 0 H THR A 8 -2.836 -6.757 -2.997 1.00 0.00 H new ATOM 0 HA THR A 8 -5.724 -7.080 -2.734 1.00 0.00 H new ATOM 0 HB THR A 8 -4.207 -5.705 -1.226 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.798 -3.975 -1.179 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.635 -3.426 -1.947 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.786 -4.662 -2.906 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.190 -3.812 -3.593 1.00 0.00 H new ATOM 111 N SER A 9 -4.430 -5.726 -5.407 1.00 0.00 N ATOM 112 CA SER A 9 -4.717 -5.171 -6.739 1.00 0.00 C ATOM 113 C SER A 9 -3.710 -5.641 -7.810 1.00 0.00 C ATOM 114 O SER A 9 -2.828 -6.455 -7.545 1.00 0.00 O ATOM 115 CB SER A 9 -4.786 -3.640 -6.677 1.00 0.00 C ATOM 116 OG SER A 9 -5.470 -3.113 -7.809 1.00 0.00 O ATOM 0 H SER A 9 -3.439 -5.914 -5.255 1.00 0.00 H new ATOM 0 HA SER A 9 -5.690 -5.555 -7.044 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.296 -3.332 -5.764 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.778 -3.229 -6.633 1.00 0.00 H new ATOM 0 HG SER A 9 -5.503 -2.136 -7.746 1.00 0.00 H new ATOM 122 N ILE A 10 -3.814 -5.120 -9.035 1.00 0.00 N ATOM 123 CA ILE A 10 -2.837 -5.355 -10.109 1.00 0.00 C ATOM 124 C ILE A 10 -1.487 -4.713 -9.744 1.00 0.00 C ATOM 125 O ILE A 10 -1.453 -3.554 -9.318 1.00 0.00 O ATOM 126 CB ILE A 10 -3.364 -4.780 -11.448 1.00 0.00 C ATOM 127 CG1 ILE A 10 -4.766 -5.290 -11.854 1.00 0.00 C ATOM 128 CG2 ILE A 10 -2.358 -5.049 -12.589 1.00 0.00 C ATOM 129 CD1 ILE A 10 -4.823 -6.777 -12.197 1.00 0.00 C ATOM 0 H ILE A 10 -4.587 -4.516 -9.315 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.693 -6.429 -10.226 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.468 -3.708 -11.280 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.461 -5.091 -11.039 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.112 -4.718 -12.715 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.746 -4.638 -13.521 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.405 -4.576 -12.353 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.212 -6.124 -12.700 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.843 -7.049 -12.470 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.156 -6.983 -13.034 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.511 -7.362 -11.332 1.00 0.00 H new ATOM 141 N CYS A 11 -0.372 -5.413 -9.983 1.00 0.00 N ATOM 142 CA CYS A 11 0.959 -4.792 -10.057 1.00 0.00 C ATOM 143 C CYS A 11 1.667 -5.057 -11.394 1.00 0.00 C ATOM 144 O CYS A 11 1.398 -6.039 -12.090 1.00 0.00 O ATOM 145 CB CYS A 11 1.842 -5.186 -8.863 1.00 0.00 C ATOM 146 SG CYS A 11 2.520 -6.871 -8.835 1.00 0.00 S ATOM 0 H CYS A 11 -0.365 -6.422 -10.130 1.00 0.00 H new ATOM 0 HA CYS A 11 0.794 -3.716 -10.003 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.678 -4.487 -8.819 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.259 -5.044 -7.953 1.00 0.00 H new ATOM 151 N SER A 12 2.580 -4.158 -11.751 1.00 0.00 N ATOM 152 CA SER A 12 3.388 -4.217 -12.976 1.00 0.00 C ATOM 153 C SER A 12 4.848 -4.583 -12.674 1.00 0.00 C ATOM 154 O SER A 12 5.381 -4.262 -11.609 1.00 0.00 O ATOM 155 CB SER A 12 3.304 -2.873 -13.713 1.00 0.00 C ATOM 156 OG SER A 12 1.951 -2.495 -13.938 1.00 0.00 O ATOM 0 H SER A 12 2.788 -3.339 -11.180 1.00 0.00 H new ATOM 0 HA SER A 12 2.986 -5.003 -13.615 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.808 -2.103 -13.129 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.828 -2.944 -14.666 1.00 0.00 H new ATOM 0 HG SER A 12 1.925 -1.635 -14.407 1.00 0.00 H new ATOM 162 N LEU A 13 5.530 -5.230 -13.624 1.00 0.00 N ATOM 163 CA LEU A 13 6.885 -5.750 -13.423 1.00 0.00 C ATOM 164 C LEU A 13 7.877 -4.646 -13.051 1.00 0.00 C ATOM 165 O LEU A 13 8.694 -4.804 -12.148 1.00 0.00 O ATOM 166 CB LEU A 13 7.331 -6.560 -14.656 1.00 0.00 C ATOM 167 CG LEU A 13 7.473 -5.827 -16.013 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.412 -6.637 -16.920 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.149 -5.604 -16.760 1.00 0.00 C ATOM 0 H LEU A 13 5.157 -5.408 -14.556 1.00 0.00 H new ATOM 0 HA LEU A 13 6.869 -6.428 -12.569 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.294 -7.014 -14.423 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.619 -7.374 -14.792 1.00 0.00 H new ATOM 0 HG LEU A 13 7.869 -4.838 -15.781 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.519 -6.130 -17.879 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.389 -6.726 -16.445 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.995 -7.631 -17.080 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.344 -5.085 -17.698 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.682 -6.567 -16.968 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.481 -5.002 -16.144 1.00 0.00 H new ATOM 181 N TYR A 14 7.724 -3.484 -13.684 1.00 0.00 N ATOM 182 CA TYR A 14 8.626 -2.339 -13.568 1.00 0.00 C ATOM 183 C TYR A 14 8.586 -1.646 -12.199 1.00 0.00 C ATOM 184 O TYR A 14 9.449 -0.820 -11.892 1.00 0.00 O ATOM 185 CB TYR A 14 8.296 -1.352 -14.694 1.00 0.00 C ATOM 186 CG TYR A 14 6.895 -0.756 -14.691 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.542 0.244 -13.761 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.954 -1.169 -15.656 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.252 0.808 -13.776 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.671 -0.589 -15.695 1.00 0.00 C ATOM 191 CZ TYR A 14 4.313 0.396 -14.747 1.00 0.00 C ATOM 192 OH TYR A 14 3.071 0.957 -14.770 1.00 0.00 O ATOM 0 H TYR A 14 6.941 -3.308 -14.314 1.00 0.00 H new ATOM 0 HA TYR A 14 9.647 -2.710 -13.661 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.014 -0.533 -14.650 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.448 -1.859 -15.647 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.266 0.579 -13.033 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.219 -1.935 -16.370 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.981 1.555 -13.045 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.961 -0.897 -16.449 1.00 0.00 H new ATOM 0 HH TYR A 14 2.548 0.564 -15.500 1.00 0.00 H new ATOM 202 N GLN A 15 7.576 -1.968 -11.386 1.00 0.00 N ATOM 203 CA GLN A 15 7.420 -1.452 -10.027 1.00 0.00 C ATOM 204 C GLN A 15 7.586 -2.576 -9.005 1.00 0.00 C ATOM 205 O GLN A 15 8.093 -2.316 -7.924 1.00 0.00 O ATOM 206 CB GLN A 15 6.069 -0.721 -9.864 1.00 0.00 C ATOM 207 CG GLN A 15 4.857 -1.579 -10.266 1.00 0.00 C ATOM 208 CD GLN A 15 3.472 -0.992 -9.997 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.490 -1.725 -9.991 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.309 0.299 -9.785 1.00 0.00 N ATOM 0 H GLN A 15 6.830 -2.607 -11.661 1.00 0.00 H new ATOM 0 HA GLN A 15 8.205 -0.719 -9.842 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.956 -0.410 -8.826 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.080 0.186 -10.469 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.933 -1.794 -11.332 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.928 -2.532 -9.743 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.117 0.922 -9.787 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.375 0.675 -9.619 1.00 0.00 H new ATOM 219 N LEU A 16 7.230 -3.828 -9.319 1.00 0.00 N ATOM 220 CA LEU A 16 7.359 -4.939 -8.376 1.00 0.00 C ATOM 221 C LEU A 16 8.835 -5.335 -8.139 1.00 0.00 C ATOM 222 O LEU A 16 9.163 -5.795 -7.046 1.00 0.00 O ATOM 223 CB LEU A 16 6.412 -6.075 -8.814 1.00 0.00 C ATOM 224 CG LEU A 16 7.078 -7.209 -9.603 1.00 0.00 C ATOM 225 CD1 LEU A 16 7.802 -8.203 -8.681 1.00 0.00 C ATOM 226 CD2 LEU A 16 6.028 -7.980 -10.418 1.00 0.00 C ATOM 0 H LEU A 16 6.848 -4.095 -10.226 1.00 0.00 H new ATOM 0 HA LEU A 16 7.035 -4.639 -7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.942 -6.498 -7.926 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.615 -5.648 -9.423 1.00 0.00 H new ATOM 0 HG LEU A 16 7.810 -6.746 -10.264 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.259 -8.989 -9.281 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.575 -7.680 -8.118 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.086 -8.645 -7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.515 -8.782 -10.973 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.284 -8.405 -9.744 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.539 -7.301 -11.116 1.00 0.00 H new ATOM 238 N GLU A 17 9.735 -5.094 -9.110 1.00 0.00 N ATOM 239 CA GLU A 17 11.199 -5.214 -8.934 1.00 0.00 C ATOM 240 C GLU A 17 11.692 -4.459 -7.693 1.00 0.00 C ATOM 241 O GLU A 17 12.612 -4.899 -6.999 1.00 0.00 O ATOM 242 CB GLU A 17 11.963 -4.591 -10.119 1.00 0.00 C ATOM 243 CG GLU A 17 12.041 -5.469 -11.362 1.00 0.00 C ATOM 244 CD GLU A 17 12.986 -4.852 -12.400 1.00 0.00 C ATOM 245 OE1 GLU A 17 14.204 -5.139 -12.347 1.00 0.00 O1- ATOM 246 OE2 GLU A 17 12.529 -4.066 -13.264 1.00 0.00 O ATOM 0 H GLU A 17 9.466 -4.807 -10.051 1.00 0.00 H new ATOM 0 HA GLU A 17 11.388 -6.284 -8.848 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.485 -3.649 -10.386 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.976 -4.353 -9.795 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.392 -6.464 -11.089 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.047 -5.588 -11.793 1.00 0.00 H new ATOM 253 N ASN A 18 11.067 -3.313 -7.422 1.00 0.00 N ATOM 254 CA ASN A 18 11.483 -2.359 -6.390 1.00 0.00 C ATOM 255 C ASN A 18 11.456 -2.960 -4.972 1.00 0.00 C ATOM 256 O ASN A 18 12.173 -2.510 -4.075 1.00 0.00 O ATOM 257 CB ASN A 18 10.557 -1.142 -6.458 1.00 0.00 C ATOM 258 CG ASN A 18 10.671 -0.341 -7.754 1.00 0.00 C ATOM 259 OD1 ASN A 18 11.481 -0.603 -8.636 1.00 0.00 O ATOM 260 ND2 ASN A 18 9.876 0.700 -7.898 1.00 0.00 N ATOM 0 H ASN A 18 10.234 -3.013 -7.928 1.00 0.00 H new ATOM 0 HA ASN A 18 12.518 -2.078 -6.586 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.526 -1.477 -6.340 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.777 -0.484 -5.617 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.939 1.278 -8.736 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.198 0.928 -7.171 1.00 0.00 H new ATOM 267 N TYR A 19 10.633 -3.992 -4.775 1.00 0.00 N ATOM 268 CA TYR A 19 10.391 -4.676 -3.506 1.00 0.00 C ATOM 269 C TYR A 19 11.370 -5.836 -3.237 1.00 0.00 C ATOM 270 O TYR A 19 11.375 -6.397 -2.140 1.00 0.00 O ATOM 271 CB TYR A 19 8.939 -5.164 -3.526 1.00 0.00 C ATOM 272 CG TYR A 19 7.916 -4.044 -3.624 1.00 0.00 C ATOM 273 CD1 TYR A 19 7.588 -3.473 -4.871 1.00 0.00 C ATOM 274 CD2 TYR A 19 7.289 -3.571 -2.454 1.00 0.00 C ATOM 275 CE1 TYR A 19 6.639 -2.438 -4.947 1.00 0.00 C ATOM 276 CE2 TYR A 19 6.309 -2.564 -2.528 1.00 0.00 C ATOM 277 CZ TYR A 19 5.982 -1.990 -3.779 1.00 0.00 C ATOM 278 OH TYR A 19 5.043 -1.007 -3.861 1.00 0.00 O ATOM 0 H TYR A 19 10.089 -4.393 -5.539 1.00 0.00 H new ATOM 0 HA TYR A 19 10.562 -3.977 -2.687 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.805 -5.841 -4.370 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.747 -5.741 -2.621 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.067 -3.832 -5.770 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.562 -3.984 -1.494 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.412 -1.984 -5.900 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.808 -2.230 -1.632 1.00 0.00 H new ATOM 0 HH TYR A 19 4.688 -0.818 -2.967 1.00 0.00 H new ATOM 288 N CYS A 20 12.219 -6.191 -4.211 1.00 0.00 N ATOM 289 CA CYS A 20 13.250 -7.227 -4.057 1.00 0.00 C ATOM 290 C CYS A 20 14.378 -6.816 -3.086 1.00 0.00 C ATOM 291 O CYS A 20 14.959 -7.676 -2.419 1.00 0.00 O ATOM 292 CB CYS A 20 13.812 -7.553 -5.445 1.00 0.00 C ATOM 293 SG CYS A 20 14.846 -9.039 -5.496 1.00 0.00 S ATOM 0 H CYS A 20 12.209 -5.763 -5.137 1.00 0.00 H new ATOM 0 HA CYS A 20 12.789 -8.110 -3.613 1.00 0.00 H new ATOM 0 HB2 CYS A 20 12.982 -7.677 -6.141 1.00 0.00 H new ATOM 0 HB3 CYS A 20 14.398 -6.704 -5.796 1.00 0.00 H new ATOM 298 N ASN A 21 14.649 -5.503 -2.983 1.00 0.00 N ATOM 299 CA ASN A 21 15.631 -4.860 -2.089 1.00 0.00 C ATOM 300 C ASN A 21 17.077 -5.363 -2.339 1.00 0.00 C ATOM 301 O ASN A 21 17.685 -6.012 -1.454 1.00 0.00 O ATOM 302 CB ASN A 21 15.120 -4.959 -0.625 1.00 0.00 C ATOM 303 CG ASN A 21 15.823 -4.026 0.355 1.00 0.00 C ATOM 304 OD1 ASN A 21 15.235 -3.108 0.913 1.00 0.00 O ATOM 305 ND2 ASN A 21 17.097 -4.226 0.593 1.00 0.00 N ATOM 306 OXT ASN A 21 17.611 -5.067 -3.432 1.00 0.00 O1- ATOM 0 H ASN A 21 14.158 -4.818 -3.558 1.00 0.00 H new ATOM 0 HA ASN A 21 15.711 -3.797 -2.315 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.052 -4.742 -0.611 1.00 0.00 H new ATOM 0 HB3 ASN A 21 15.241 -5.986 -0.280 1.00 0.00 H new ATOM 0 HD21 ASN A 21 17.596 -3.618 1.242 1.00 0.00 H new ATOM 0 HD22 ASN A 21 17.589 -4.990 0.129 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 5.819 -11.687 -18.801 1.00 0.00 N ATOM 315 CA PHE B 1 5.023 -11.242 -17.627 1.00 0.00 C ATOM 316 C PHE B 1 3.577 -10.926 -18.039 1.00 0.00 C ATOM 317 O PHE B 1 3.328 -10.593 -19.198 1.00 0.00 O ATOM 318 CB PHE B 1 5.684 -10.031 -16.932 1.00 0.00 C ATOM 319 CG PHE B 1 5.025 -9.592 -15.634 1.00 0.00 C ATOM 320 CD1 PHE B 1 5.321 -10.262 -14.429 1.00 0.00 C ATOM 321 CD2 PHE B 1 4.116 -8.514 -15.621 1.00 0.00 C ATOM 322 CE1 PHE B 1 4.716 -9.855 -13.226 1.00 0.00 C ATOM 323 CE2 PHE B 1 3.525 -8.099 -14.415 1.00 0.00 C ATOM 324 CZ PHE B 1 3.821 -8.772 -13.218 1.00 0.00 C ATOM 0 H1 PHE B 1 5.992 -12.710 -18.735 1.00 0.00 H new ATOM 0 H2 PHE B 1 5.294 -11.480 -19.675 1.00 0.00 H new ATOM 0 H3 PHE B 1 6.728 -11.183 -18.815 1.00 0.00 H new ATOM 0 HA PHE B 1 4.997 -12.060 -16.907 1.00 0.00 H new ATOM 0 HB2 PHE B 1 6.727 -10.274 -16.728 1.00 0.00 H new ATOM 0 HB3 PHE B 1 5.683 -9.189 -17.625 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.014 -11.090 -14.430 1.00 0.00 H new ATOM 0 HD2 PHE B 1 3.873 -8.005 -16.542 1.00 0.00 H new ATOM 0 HE1 PHE B 1 4.940 -10.376 -12.307 1.00 0.00 H new ATOM 0 HE2 PHE B 1 2.843 -7.262 -14.409 1.00 0.00 H new ATOM 0 HZ PHE B 1 3.361 -8.457 -12.293 1.00 0.00 H new ATOM 336 N VAL B 2 2.623 -11.002 -17.101 1.00 0.00 N ATOM 337 CA VAL B 2 1.228 -10.541 -17.267 1.00 0.00 C ATOM 338 C VAL B 2 0.842 -9.715 -16.041 1.00 0.00 C ATOM 339 O VAL B 2 0.933 -10.204 -14.915 1.00 0.00 O ATOM 340 CB VAL B 2 0.229 -11.716 -17.435 1.00 0.00 C ATOM 341 CG1 VAL B 2 -1.229 -11.232 -17.546 1.00 0.00 C ATOM 342 CG2 VAL B 2 0.553 -12.554 -18.686 1.00 0.00 C ATOM 0 H VAL B 2 2.801 -11.397 -16.177 1.00 0.00 H new ATOM 0 HA VAL B 2 1.175 -9.944 -18.178 1.00 0.00 H new ATOM 0 HB VAL B 2 0.336 -12.326 -16.538 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -1.890 -12.091 -17.662 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -1.500 -10.685 -16.643 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -1.330 -10.577 -18.411 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -0.166 -13.369 -18.774 1.00 0.00 H new ATOM 0 HG22 VAL B 2 0.496 -11.922 -19.572 1.00 0.00 H new ATOM 0 HG23 VAL B 2 1.559 -12.965 -18.598 1.00 0.00 H new ATOM 352 N ASN B 3 0.394 -8.477 -16.267 1.00 0.00 N ATOM 353 CA ASN B 3 -0.139 -7.593 -15.231 1.00 0.00 C ATOM 354 C ASN B 3 -1.398 -8.215 -14.607 1.00 0.00 C ATOM 355 O ASN B 3 -2.431 -8.347 -15.271 1.00 0.00 O ATOM 356 CB ASN B 3 -0.452 -6.214 -15.832 1.00 0.00 C ATOM 357 CG ASN B 3 0.731 -5.577 -16.529 1.00 0.00 C ATOM 358 OD1 ASN B 3 1.104 -5.930 -17.642 1.00 0.00 O ATOM 359 ND2 ASN B 3 1.341 -4.603 -15.895 1.00 0.00 N ATOM 0 H ASN B 3 0.392 -8.054 -17.195 1.00 0.00 H new ATOM 0 HA ASN B 3 0.607 -7.467 -14.446 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -1.272 -6.314 -16.543 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -0.797 -5.551 -15.039 1.00 0.00 H new ATOM 0 HD21 ASN B 3 2.135 -4.131 -16.328 1.00 0.00 H new ATOM 0 HD22 ASN B 3 1.021 -4.318 -14.969 1.00 0.00 H new ATOM 366 N GLN B 4 -1.314 -8.620 -13.340 1.00 0.00 N ATOM 367 CA GLN B 4 -2.353 -9.400 -12.670 1.00 0.00 C ATOM 368 C GLN B 4 -2.275 -9.238 -11.146 1.00 0.00 C ATOM 369 O GLN B 4 -1.362 -8.609 -10.611 1.00 0.00 O ATOM 370 CB GLN B 4 -2.258 -10.877 -13.109 1.00 0.00 C ATOM 371 CG GLN B 4 -1.057 -11.616 -12.497 1.00 0.00 C ATOM 372 CD GLN B 4 -0.777 -12.951 -13.183 1.00 0.00 C ATOM 373 OE1 GLN B 4 -1.515 -13.922 -13.060 1.00 0.00 O ATOM 374 NE2 GLN B 4 0.299 -13.049 -13.936 1.00 0.00 N ATOM 0 H GLN B 4 -0.513 -8.413 -12.743 1.00 0.00 H new ATOM 0 HA GLN B 4 -3.331 -9.023 -12.968 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -3.176 -11.393 -12.826 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -2.189 -10.922 -14.196 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -0.172 -10.983 -12.567 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -1.243 -11.788 -11.437 1.00 0.00 H new ATOM 0 HE21 GLN B 4 0.920 -12.247 -14.045 1.00 0.00 H new ATOM 0 HE22 GLN B 4 0.511 -13.927 -14.410 1.00 0.00 H new ATOM 383 N HIS B 5 -3.236 -9.846 -10.455 1.00 0.00 N ATOM 384 CA HIS B 5 -3.228 -10.019 -8.999 1.00 0.00 C ATOM 385 C HIS B 5 -2.352 -11.234 -8.618 1.00 0.00 C ATOM 386 O HIS B 5 -2.546 -12.331 -9.152 1.00 0.00 O ATOM 387 CB HIS B 5 -4.673 -10.202 -8.502 1.00 0.00 C ATOM 388 CG HIS B 5 -5.599 -9.047 -8.800 1.00 0.00 C ATOM 389 ND1 HIS B 5 -6.221 -8.806 -9.991 1.00 0.00 N flip ATOM 390 CD2 HIS B 5 -5.964 -8.048 -7.896 1.00 0.00 C flip ATOM 391 CE1 HIS B 5 -6.963 -7.659 -9.829 1.00 0.00 C flip ATOM 392 NE2 HIS B 5 -6.779 -7.222 -8.574 1.00 0.00 N flip ATOM 0 H HIS B 5 -4.064 -10.243 -10.900 1.00 0.00 H new ATOM 0 HA HIS B 5 -2.804 -9.135 -8.523 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -5.085 -11.105 -8.953 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -4.653 -10.364 -7.424 1.00 0.00 H new ATOM 0 HD1 HIS B 5 -6.149 -9.369 -10.839 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -5.655 -7.958 -6.865 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -7.584 -7.193 -10.580 1.00 0.00 H new ATOM 400 N LEU B 6 -1.393 -11.058 -7.703 1.00 0.00 N ATOM 401 CA LEU B 6 -0.415 -12.076 -7.293 1.00 0.00 C ATOM 402 C LEU B 6 -0.328 -12.157 -5.766 1.00 0.00 C ATOM 403 O LEU B 6 -0.250 -11.135 -5.088 1.00 0.00 O ATOM 404 CB LEU B 6 0.969 -11.725 -7.870 1.00 0.00 C ATOM 405 CG LEU B 6 1.095 -11.730 -9.404 1.00 0.00 C ATOM 406 CD1 LEU B 6 2.468 -11.172 -9.794 1.00 0.00 C ATOM 407 CD2 LEU B 6 0.947 -13.147 -9.975 1.00 0.00 C ATOM 0 H LEU B 6 -1.271 -10.174 -7.210 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.739 -13.044 -7.676 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.249 -10.736 -7.508 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.696 -12.430 -7.466 1.00 0.00 H new ATOM 0 HG LEU B 6 0.297 -11.112 -9.816 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.566 -11.172 -10.880 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.566 -10.153 -9.421 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.250 -11.794 -9.359 1.00 0.00 H new ATOM 0 HD21 LEU B 6 1.041 -13.114 -11.060 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.726 -13.789 -9.563 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -0.031 -13.547 -9.708 1.00 0.00 H new ATOM 419 N CYS B 7 -0.293 -13.369 -5.210 1.00 0.00 N ATOM 420 CA CYS B 7 -0.217 -13.585 -3.759 1.00 0.00 C ATOM 421 C CYS B 7 0.415 -14.942 -3.417 1.00 0.00 C ATOM 422 O CYS B 7 0.271 -15.902 -4.178 1.00 0.00 O ATOM 423 CB CYS B 7 -1.621 -13.434 -3.158 1.00 0.00 C ATOM 424 SG CYS B 7 -1.637 -12.865 -1.441 1.00 0.00 S ATOM 0 H CYS B 7 -0.316 -14.233 -5.752 1.00 0.00 H new ATOM 0 HA CYS B 7 0.437 -12.833 -3.319 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.191 -12.732 -3.767 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.133 -14.394 -3.215 1.00 0.00 H new ATOM 429 N GLY B 8 1.140 -15.018 -2.294 1.00 0.00 N ATOM 430 CA GLY B 8 1.814 -16.239 -1.835 1.00 0.00 C ATOM 431 C GLY B 8 2.830 -16.758 -2.854 1.00 0.00 C ATOM 432 O GLY B 8 3.678 -16.007 -3.343 1.00 0.00 O ATOM 0 H GLY B 8 1.277 -14.223 -1.670 1.00 0.00 H new ATOM 0 HA2 GLY B 8 2.320 -16.039 -0.890 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.070 -17.011 -1.641 1.00 0.00 H new ATOM 436 N SER B 9 2.727 -18.038 -3.199 1.00 0.00 N ATOM 437 CA SER B 9 3.590 -18.709 -4.182 1.00 0.00 C ATOM 438 C SER B 9 3.630 -17.977 -5.533 1.00 0.00 C ATOM 439 O SER B 9 4.705 -17.818 -6.106 1.00 0.00 O ATOM 440 CB SER B 9 3.108 -20.152 -4.398 1.00 0.00 C ATOM 441 OG SER B 9 3.024 -20.858 -3.164 1.00 0.00 O ATOM 0 H SER B 9 2.025 -18.658 -2.796 1.00 0.00 H new ATOM 0 HA SER B 9 4.602 -18.702 -3.776 1.00 0.00 H new ATOM 0 HB2 SER B 9 2.131 -20.143 -4.882 1.00 0.00 H new ATOM 0 HB3 SER B 9 3.792 -20.670 -5.070 1.00 0.00 H new ATOM 0 HG SER B 9 2.713 -21.772 -3.331 1.00 0.00 H new ATOM 447 N HIS B 10 2.500 -17.441 -6.014 1.00 0.00 N ATOM 448 CA HIS B 10 2.438 -16.683 -7.272 1.00 0.00 C ATOM 449 C HIS B 10 3.290 -15.397 -7.231 1.00 0.00 C ATOM 450 O HIS B 10 3.945 -15.031 -8.209 1.00 0.00 O ATOM 451 CB HIS B 10 0.966 -16.354 -7.595 1.00 0.00 C ATOM 452 CG HIS B 10 0.519 -16.877 -8.934 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.132 -16.600 -10.157 1.00 0.00 N ATOM 454 CD2 HIS B 10 -0.558 -17.686 -9.150 1.00 0.00 C ATOM 455 CE1 HIS B 10 0.404 -17.249 -11.082 1.00 0.00 C ATOM 456 NE2 HIS B 10 -0.616 -17.910 -10.508 1.00 0.00 N ATOM 0 H HIS B 10 1.600 -17.521 -5.540 1.00 0.00 H new ATOM 0 HA HIS B 10 2.860 -17.306 -8.061 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.328 -16.774 -6.817 1.00 0.00 H new ATOM 0 HB3 HIS B 10 0.829 -15.273 -7.571 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -1.233 -18.075 -8.402 1.00 0.00 H new ATOM 0 HE1 HIS B 10 0.610 -17.241 -12.142 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -1.311 -18.478 -10.993 1.00 0.00 H new ATOM 464 N LEU B 11 3.309 -14.729 -6.071 1.00 0.00 N ATOM 465 CA LEU B 11 4.093 -13.517 -5.827 1.00 0.00 C ATOM 466 C LEU B 11 5.586 -13.847 -5.689 1.00 0.00 C ATOM 467 O LEU B 11 6.411 -13.187 -6.314 1.00 0.00 O ATOM 468 CB LEU B 11 3.506 -12.813 -4.586 1.00 0.00 C ATOM 469 CG LEU B 11 3.884 -11.329 -4.420 1.00 0.00 C ATOM 470 CD1 LEU B 11 3.299 -10.457 -5.538 1.00 0.00 C ATOM 471 CD2 LEU B 11 3.320 -10.825 -3.085 1.00 0.00 C ATOM 0 H LEU B 11 2.767 -15.025 -5.259 1.00 0.00 H new ATOM 0 HA LEU B 11 4.027 -12.834 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU B 11 2.419 -12.890 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.830 -13.353 -3.697 1.00 0.00 H new ATOM 0 HG LEU B 11 4.971 -11.256 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.591 -9.419 -5.380 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.678 -10.798 -6.501 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.212 -10.534 -5.528 1.00 0.00 H new ATOM 0 HD21 LEU B 11 3.580 -9.775 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU B 11 2.235 -10.933 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU B 11 3.743 -11.409 -2.268 1.00 0.00 H new ATOM 483 N VAL B 12 5.930 -14.915 -4.961 1.00 0.00 N ATOM 484 CA VAL B 12 7.310 -15.436 -4.857 1.00 0.00 C ATOM 485 C VAL B 12 7.858 -15.841 -6.234 1.00 0.00 C ATOM 486 O VAL B 12 8.991 -15.497 -6.572 1.00 0.00 O ATOM 487 CB VAL B 12 7.385 -16.629 -3.873 1.00 0.00 C ATOM 488 CG1 VAL B 12 8.770 -17.297 -3.841 1.00 0.00 C ATOM 489 CG2 VAL B 12 7.042 -16.169 -2.448 1.00 0.00 C ATOM 0 H VAL B 12 5.254 -15.453 -4.418 1.00 0.00 H new ATOM 0 HA VAL B 12 7.933 -14.631 -4.466 1.00 0.00 H new ATOM 0 HB VAL B 12 6.661 -17.360 -4.233 1.00 0.00 H new ATOM 0 HG11 VAL B 12 8.758 -18.126 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL B 12 9.016 -17.672 -4.834 1.00 0.00 H new ATOM 0 HG13 VAL B 12 9.519 -16.567 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL B 12 7.099 -17.019 -1.768 1.00 0.00 H new ATOM 0 HG22 VAL B 12 7.751 -15.403 -2.132 1.00 0.00 H new ATOM 0 HG23 VAL B 12 6.033 -15.758 -2.431 1.00 0.00 H new ATOM 499 N GLU B 13 7.042 -16.523 -7.044 1.00 0.00 N ATOM 500 CA GLU B 13 7.359 -16.867 -8.433 1.00 0.00 C ATOM 501 C GLU B 13 7.628 -15.625 -9.290 1.00 0.00 C ATOM 502 O GLU B 13 8.620 -15.596 -10.017 1.00 0.00 O ATOM 503 CB GLU B 13 6.219 -17.684 -9.062 1.00 0.00 C ATOM 504 CG GLU B 13 6.373 -19.179 -8.764 1.00 0.00 C ATOM 505 CD GLU B 13 5.240 -20.003 -9.395 1.00 0.00 C ATOM 506 OE1 GLU B 13 5.236 -20.176 -10.638 1.00 0.00 O1- ATOM 507 OE2 GLU B 13 4.362 -20.509 -8.656 1.00 0.00 O ATOM 0 H GLU B 13 6.125 -16.858 -6.747 1.00 0.00 H new ATOM 0 HA GLU B 13 8.270 -17.465 -8.409 1.00 0.00 H new ATOM 0 HB2 GLU B 13 5.262 -17.332 -8.678 1.00 0.00 H new ATOM 0 HB3 GLU B 13 6.208 -17.526 -10.140 1.00 0.00 H new ATOM 0 HG2 GLU B 13 7.333 -19.529 -9.144 1.00 0.00 H new ATOM 0 HG3 GLU B 13 6.381 -19.336 -7.685 1.00 0.00 H new ATOM 514 N ALA B 14 6.799 -14.581 -9.196 1.00 0.00 N ATOM 515 CA ALA B 14 7.029 -13.344 -9.931 1.00 0.00 C ATOM 516 C ALA B 14 8.358 -12.691 -9.532 1.00 0.00 C ATOM 517 O ALA B 14 9.166 -12.402 -10.415 1.00 0.00 O ATOM 518 CB ALA B 14 5.827 -12.431 -9.717 1.00 0.00 C ATOM 0 H ALA B 14 5.961 -14.573 -8.615 1.00 0.00 H new ATOM 0 HA ALA B 14 7.123 -13.551 -10.997 1.00 0.00 H new ATOM 0 HB1 ALA B 14 5.978 -11.498 -10.259 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.927 -12.923 -10.085 1.00 0.00 H new ATOM 0 HB3 ALA B 14 5.716 -12.219 -8.654 1.00 0.00 H new ATOM 524 N LEU B 15 8.632 -12.532 -8.228 1.00 0.00 N ATOM 525 CA LEU B 15 9.905 -11.984 -7.737 1.00 0.00 C ATOM 526 C LEU B 15 11.112 -12.769 -8.267 1.00 0.00 C ATOM 527 O LEU B 15 12.091 -12.153 -8.682 1.00 0.00 O ATOM 528 CB LEU B 15 9.917 -11.917 -6.191 1.00 0.00 C ATOM 529 CG LEU B 15 9.448 -10.590 -5.553 1.00 0.00 C ATOM 530 CD1 LEU B 15 10.296 -9.390 -6.011 1.00 0.00 C ATOM 531 CD2 LEU B 15 7.956 -10.322 -5.782 1.00 0.00 C ATOM 0 H LEU B 15 7.978 -12.779 -7.485 1.00 0.00 H new ATOM 0 HA LEU B 15 9.991 -10.968 -8.123 1.00 0.00 H new ATOM 0 HB2 LEU B 15 9.286 -12.720 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU B 15 10.932 -12.120 -5.849 1.00 0.00 H new ATOM 0 HG LEU B 15 9.596 -10.710 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU B 15 9.927 -8.481 -5.535 1.00 0.00 H new ATOM 0 HD12 LEU B 15 11.336 -9.551 -5.729 1.00 0.00 H new ATOM 0 HD13 LEU B 15 10.226 -9.287 -7.094 1.00 0.00 H new ATOM 0 HD21 LEU B 15 7.680 -9.378 -5.313 1.00 0.00 H new ATOM 0 HD22 LEU B 15 7.756 -10.268 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU B 15 7.370 -11.130 -5.344 1.00 0.00 H new ATOM 543 N TYR B 16 11.035 -14.100 -8.350 1.00 0.00 N ATOM 544 CA TYR B 16 12.079 -14.902 -8.996 1.00 0.00 C ATOM 545 C TYR B 16 12.265 -14.531 -10.472 1.00 0.00 C ATOM 546 O TYR B 16 13.397 -14.359 -10.915 1.00 0.00 O ATOM 547 CB TYR B 16 11.772 -16.398 -8.874 1.00 0.00 C ATOM 548 CG TYR B 16 12.851 -17.260 -9.508 1.00 0.00 C ATOM 549 CD1 TYR B 16 14.027 -17.558 -8.795 1.00 0.00 C ATOM 550 CD2 TYR B 16 12.715 -17.690 -10.845 1.00 0.00 C ATOM 551 CE1 TYR B 16 15.064 -18.286 -9.409 1.00 0.00 C ATOM 552 CE2 TYR B 16 13.748 -18.415 -11.467 1.00 0.00 C ATOM 553 CZ TYR B 16 14.929 -18.717 -10.749 1.00 0.00 C ATOM 554 OH TYR B 16 15.938 -19.412 -11.343 1.00 0.00 O ATOM 0 H TYR B 16 10.259 -14.647 -7.977 1.00 0.00 H new ATOM 0 HA TYR B 16 13.011 -14.681 -8.475 1.00 0.00 H new ATOM 0 HB2 TYR B 16 11.671 -16.662 -7.821 1.00 0.00 H new ATOM 0 HB3 TYR B 16 10.814 -16.610 -9.349 1.00 0.00 H new ATOM 0 HD1 TYR B 16 14.135 -17.227 -7.773 1.00 0.00 H new ATOM 0 HD2 TYR B 16 11.813 -17.461 -11.394 1.00 0.00 H new ATOM 0 HE1 TYR B 16 15.963 -18.515 -8.856 1.00 0.00 H new ATOM 0 HE2 TYR B 16 13.640 -18.740 -12.491 1.00 0.00 H new ATOM 0 HH TYR B 16 15.685 -19.634 -12.263 1.00 0.00 H new ATOM 564 N LEU B 17 11.180 -14.372 -11.236 1.00 0.00 N ATOM 565 CA LEU B 17 11.253 -14.004 -12.652 1.00 0.00 C ATOM 566 C LEU B 17 11.838 -12.594 -12.850 1.00 0.00 C ATOM 567 O LEU B 17 12.784 -12.442 -13.626 1.00 0.00 O ATOM 568 CB LEU B 17 9.860 -14.135 -13.297 1.00 0.00 C ATOM 569 CG LEU B 17 9.294 -15.569 -13.351 1.00 0.00 C ATOM 570 CD1 LEU B 17 7.846 -15.528 -13.859 1.00 0.00 C ATOM 571 CD2 LEU B 17 10.129 -16.497 -14.246 1.00 0.00 C ATOM 0 H LEU B 17 10.228 -14.495 -10.890 1.00 0.00 H new ATOM 0 HA LEU B 17 11.935 -14.693 -13.150 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.161 -13.506 -12.745 1.00 0.00 H new ATOM 0 HB3 LEU B 17 9.909 -13.742 -14.313 1.00 0.00 H new ATOM 0 HG LEU B 17 9.332 -15.974 -12.340 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.445 -16.541 -13.898 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.240 -14.924 -13.184 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.823 -15.090 -14.857 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.688 -17.494 -14.249 1.00 0.00 H new ATOM 0 HD22 LEU B 17 10.145 -16.104 -15.263 1.00 0.00 H new ATOM 0 HD23 LEU B 17 11.148 -16.553 -13.862 1.00 0.00 H new ATOM 583 N VAL B 18 11.324 -11.580 -12.144 1.00 0.00 N ATOM 584 CA VAL B 18 11.744 -10.173 -12.364 1.00 0.00 C ATOM 585 C VAL B 18 13.106 -9.868 -11.747 1.00 0.00 C ATOM 586 O VAL B 18 13.872 -9.105 -12.334 1.00 0.00 O ATOM 587 CB VAL B 18 10.759 -9.083 -11.859 1.00 0.00 C ATOM 588 CG1 VAL B 18 10.489 -8.032 -12.940 1.00 0.00 C ATOM 589 CG2 VAL B 18 9.437 -9.606 -11.327 1.00 0.00 C ATOM 0 H VAL B 18 10.619 -11.697 -11.416 1.00 0.00 H new ATOM 0 HA VAL B 18 11.774 -10.116 -13.452 1.00 0.00 H new ATOM 0 HB VAL B 18 11.274 -8.634 -11.010 1.00 0.00 H new ATOM 0 HG11 VAL B 18 9.796 -7.284 -12.555 1.00 0.00 H new ATOM 0 HG12 VAL B 18 11.425 -7.549 -13.220 1.00 0.00 H new ATOM 0 HG13 VAL B 18 10.053 -8.514 -13.815 1.00 0.00 H new ATOM 0 HG21 VAL B 18 8.820 -8.769 -10.999 1.00 0.00 H new ATOM 0 HG22 VAL B 18 8.918 -10.153 -12.115 1.00 0.00 H new ATOM 0 HG23 VAL B 18 9.622 -10.272 -10.484 1.00 0.00 H new ATOM 599 N CYS B 19 13.411 -10.423 -10.566 1.00 0.00 N ATOM 600 CA CYS B 19 14.621 -10.061 -9.821 1.00 0.00 C ATOM 601 C CYS B 19 15.733 -11.121 -9.898 1.00 0.00 C ATOM 602 O CYS B 19 16.911 -10.771 -10.017 1.00 0.00 O ATOM 603 CB CYS B 19 14.240 -9.780 -8.363 1.00 0.00 C ATOM 604 SG CYS B 19 15.577 -9.043 -7.390 1.00 0.00 S ATOM 0 H CYS B 19 12.833 -11.127 -10.106 1.00 0.00 H new ATOM 0 HA CYS B 19 15.037 -9.168 -10.287 1.00 0.00 H new ATOM 0 HB2 CYS B 19 13.378 -9.113 -8.344 1.00 0.00 H new ATOM 0 HB3 CYS B 19 13.931 -10.713 -7.891 1.00 0.00 H new ATOM 609 N GLY B 20 15.372 -12.410 -9.848 1.00 0.00 N ATOM 610 CA GLY B 20 16.319 -13.535 -9.777 1.00 0.00 C ATOM 611 C GLY B 20 16.845 -13.965 -11.147 1.00 0.00 C ATOM 612 O GLY B 20 18.057 -14.015 -11.356 1.00 0.00 O ATOM 0 H GLY B 20 14.396 -12.707 -9.856 1.00 0.00 H new ATOM 0 HA2 GLY B 20 17.160 -13.254 -9.143 1.00 0.00 H new ATOM 0 HA3 GLY B 20 15.830 -14.384 -9.300 1.00 0.00 H new ATOM 616 N GLU B 21 15.937 -14.266 -12.078 1.00 0.00 N ATOM 617 CA GLU B 21 16.251 -14.714 -13.435 1.00 0.00 C ATOM 618 C GLU B 21 16.722 -13.543 -14.315 1.00 0.00 C ATOM 619 O GLU B 21 17.769 -13.650 -14.958 1.00 0.00 O ATOM 620 CB GLU B 21 15.023 -15.425 -14.030 1.00 0.00 C ATOM 621 CG GLU B 21 15.354 -16.106 -15.363 1.00 0.00 C ATOM 622 CD GLU B 21 14.150 -16.889 -15.907 1.00 0.00 C ATOM 623 OE1 GLU B 21 14.001 -18.088 -15.569 1.00 0.00 O1- ATOM 624 OE2 GLU B 21 13.360 -16.317 -16.694 1.00 0.00 O ATOM 0 H GLU B 21 14.934 -14.203 -11.903 1.00 0.00 H new ATOM 0 HA GLU B 21 17.078 -15.423 -13.399 1.00 0.00 H new ATOM 0 HB2 GLU B 21 14.655 -16.168 -13.323 1.00 0.00 H new ATOM 0 HB3 GLU B 21 14.221 -14.702 -14.180 1.00 0.00 H new ATOM 0 HG2 GLU B 21 15.660 -15.355 -16.091 1.00 0.00 H new ATOM 0 HG3 GLU B 21 16.198 -16.782 -15.228 1.00 0.00 H new ATOM 631 N ARG B 22 15.982 -12.420 -14.308 1.00 0.00 N ATOM 632 CA ARG B 22 16.323 -11.128 -14.901 1.00 0.00 C ATOM 633 C ARG B 22 17.057 -11.194 -16.254 1.00 0.00 C ATOM 634 O ARG B 22 18.178 -10.697 -16.411 1.00 0.00 O ATOM 635 CB ARG B 22 17.000 -10.261 -13.825 1.00 0.00 C ATOM 636 CG ARG B 22 16.661 -8.793 -14.077 1.00 0.00 C ATOM 637 CD ARG B 22 17.078 -7.913 -12.895 1.00 0.00 C ATOM 638 NE ARG B 22 16.584 -6.538 -13.061 1.00 0.00 N ATOM 639 CZ ARG B 22 17.161 -5.533 -13.702 1.00 0.00 C ATOM 640 NH1 ARG B 22 18.338 -5.632 -14.285 1.00 0.00 N1+ ATOM 641 NH2 ARG B 22 16.512 -4.394 -13.753 1.00 0.00 N ATOM 0 H ARG B 22 15.068 -12.397 -13.855 1.00 0.00 H new ATOM 0 HA ARG B 22 15.399 -10.637 -15.208 1.00 0.00 H new ATOM 0 HB2 ARG B 22 16.661 -10.560 -12.833 1.00 0.00 H new ATOM 0 HB3 ARG B 22 18.080 -10.407 -13.850 1.00 0.00 H new ATOM 0 HG2 ARG B 22 17.164 -8.452 -14.982 1.00 0.00 H new ATOM 0 HG3 ARG B 22 15.590 -8.690 -14.250 1.00 0.00 H new ATOM 0 HD2 ARG B 22 16.688 -8.334 -11.968 1.00 0.00 H new ATOM 0 HD3 ARG B 22 18.165 -7.905 -12.809 1.00 0.00 H new ATOM 0 HE ARG B 22 15.684 -6.332 -12.628 1.00 0.00 H new ATOM 0 HH11 ARG B 22 18.849 -6.514 -14.255 1.00 0.00 H new ATOM 0 HH12 ARG B 22 18.738 -4.827 -14.766 1.00 0.00 H new ATOM 0 HH21 ARG B 22 15.598 -4.307 -13.309 1.00 0.00 H new ATOM 0 HH22 ARG B 22 16.921 -3.595 -14.237 1.00 0.00 H new ATOM 655 N GLY B 23 16.399 -11.822 -17.234 1.00 0.00 N ATOM 656 CA GLY B 23 16.908 -12.016 -18.601 1.00 0.00 C ATOM 657 C GLY B 23 17.144 -10.702 -19.358 1.00 0.00 C ATOM 658 O GLY B 23 16.538 -9.673 -19.057 1.00 0.00 O ATOM 0 H GLY B 23 15.471 -12.222 -17.097 1.00 0.00 H new ATOM 0 HA2 GLY B 23 17.844 -12.573 -18.556 1.00 0.00 H new ATOM 0 HA3 GLY B 23 16.200 -12.627 -19.161 1.00 0.00 H new ATOM 662 N HIS B 24 18.039 -10.743 -20.346 1.00 0.00 N ATOM 663 CA HIS B 24 18.511 -9.562 -21.083 1.00 0.00 C ATOM 664 C HIS B 24 17.413 -8.841 -21.899 1.00 0.00 C ATOM 665 O HIS B 24 16.523 -9.476 -22.479 1.00 0.00 O ATOM 666 CB HIS B 24 19.692 -9.967 -21.980 1.00 0.00 C ATOM 667 CG HIS B 24 20.881 -10.480 -21.211 1.00 0.00 C ATOM 668 ND1 HIS B 24 21.770 -9.689 -20.477 1.00 0.00 N ATOM 669 CD2 HIS B 24 21.257 -11.786 -21.104 1.00 0.00 C ATOM 670 CE1 HIS B 24 22.660 -10.545 -19.947 1.00 0.00 C ATOM 671 NE2 HIS B 24 22.379 -11.811 -20.306 1.00 0.00 N ATOM 0 H HIS B 24 18.466 -11.613 -20.665 1.00 0.00 H new ATOM 0 HA HIS B 24 18.831 -8.831 -20.341 1.00 0.00 H new ATOM 0 HB2 HIS B 24 19.361 -10.736 -22.678 1.00 0.00 H new ATOM 0 HB3 HIS B 24 19.998 -9.107 -22.575 1.00 0.00 H new ATOM 0 HD2 HIS B 24 20.769 -12.636 -21.557 1.00 0.00 H new ATOM 0 HE1 HIS B 24 23.489 -10.256 -19.318 1.00 0.00 H new ATOM 0 HE2 HIS B 24 22.904 -12.642 -20.035 1.00 0.00 H new ATOM 679 N PHE B 25 17.515 -7.509 -21.972 1.00 0.00 N ATOM 680 CA PHE B 25 16.598 -6.599 -22.670 1.00 0.00 C ATOM 681 C PHE B 25 17.258 -5.222 -22.885 1.00 0.00 C ATOM 682 O PHE B 25 18.173 -4.840 -22.150 1.00 0.00 O ATOM 683 CB PHE B 25 15.282 -6.486 -21.874 1.00 0.00 C ATOM 684 CG PHE B 25 14.220 -5.627 -22.535 1.00 0.00 C ATOM 685 CD1 PHE B 25 13.586 -6.071 -23.711 1.00 0.00 C ATOM 686 CD2 PHE B 25 13.884 -4.371 -21.994 1.00 0.00 C ATOM 687 CE1 PHE B 25 12.630 -5.259 -24.347 1.00 0.00 C ATOM 688 CE2 PHE B 25 12.931 -3.559 -22.632 1.00 0.00 C ATOM 689 CZ PHE B 25 12.303 -4.002 -23.809 1.00 0.00 C ATOM 0 H PHE B 25 18.281 -7.009 -21.521 1.00 0.00 H new ATOM 0 HA PHE B 25 16.367 -7.000 -23.657 1.00 0.00 H new ATOM 0 HB2 PHE B 25 14.878 -7.487 -21.720 1.00 0.00 H new ATOM 0 HB3 PHE B 25 15.502 -6.076 -20.888 1.00 0.00 H new ATOM 0 HD1 PHE B 25 13.834 -7.037 -24.125 1.00 0.00 H new ATOM 0 HD2 PHE B 25 14.360 -4.031 -21.086 1.00 0.00 H new ATOM 0 HE1 PHE B 25 12.146 -5.602 -25.250 1.00 0.00 H new ATOM 0 HE2 PHE B 25 12.681 -2.594 -22.218 1.00 0.00 H new ATOM 0 HZ PHE B 25 11.571 -3.378 -24.299 1.00 0.00 H new ATOM 699 N TYR B 26 16.806 -4.471 -23.895 1.00 0.00 N ATOM 700 CA TYR B 26 17.344 -3.147 -24.238 1.00 0.00 C ATOM 701 C TYR B 26 17.064 -2.068 -23.170 1.00 0.00 C ATOM 702 O TYR B 26 16.033 -2.093 -22.489 1.00 0.00 O ATOM 703 CB TYR B 26 16.791 -2.713 -25.603 1.00 0.00 C ATOM 704 CG TYR B 26 17.409 -1.429 -26.128 1.00 0.00 C ATOM 705 CD1 TYR B 26 18.769 -1.417 -26.494 1.00 0.00 C ATOM 706 CD2 TYR B 26 16.655 -0.240 -26.199 1.00 0.00 C ATOM 707 CE1 TYR B 26 19.376 -0.225 -26.928 1.00 0.00 C ATOM 708 CE2 TYR B 26 17.252 0.951 -26.652 1.00 0.00 C ATOM 709 CZ TYR B 26 18.619 0.965 -27.013 1.00 0.00 C ATOM 710 OH TYR B 26 19.207 2.115 -27.446 1.00 0.00 O ATOM 0 H TYR B 26 16.046 -4.768 -24.507 1.00 0.00 H new ATOM 0 HA TYR B 26 18.429 -3.244 -24.281 1.00 0.00 H new ATOM 0 HB2 TYR B 26 16.962 -3.511 -26.326 1.00 0.00 H new ATOM 0 HB3 TYR B 26 15.712 -2.581 -25.523 1.00 0.00 H new ATOM 0 HD1 TYR B 26 19.348 -2.327 -26.441 1.00 0.00 H new ATOM 0 HD2 TYR B 26 15.616 -0.243 -25.905 1.00 0.00 H new ATOM 0 HE1 TYR B 26 20.422 -0.219 -27.197 1.00 0.00 H new ATOM 0 HE2 TYR B 26 16.666 1.855 -26.724 1.00 0.00 H new ATOM 0 HH TYR B 26 18.547 2.840 -27.446 1.00 0.00 H new ATOM 720 N THR B 27 17.966 -1.083 -23.071 1.00 0.00 N ATOM 721 CA THR B 27 17.846 0.107 -22.212 1.00 0.00 C ATOM 722 C THR B 27 18.113 1.371 -23.044 1.00 0.00 C ATOM 723 O THR B 27 19.233 1.513 -23.541 1.00 0.00 O ATOM 724 CB THR B 27 18.805 0.032 -21.012 1.00 0.00 C ATOM 725 OG1 THR B 27 20.105 -0.337 -21.428 1.00 0.00 O ATOM 726 CG2 THR B 27 18.327 -0.995 -19.984 1.00 0.00 C ATOM 0 H THR B 27 18.834 -1.091 -23.607 1.00 0.00 H new ATOM 0 HA THR B 27 16.832 0.147 -21.814 1.00 0.00 H new ATOM 0 HB THR B 27 18.824 1.024 -20.560 1.00 0.00 H new ATOM 0 HG1 THR B 27 20.290 0.053 -22.308 1.00 0.00 H new ATOM 0 HG21 THR B 27 19.025 -1.025 -19.148 1.00 0.00 H new ATOM 0 HG22 THR B 27 17.338 -0.714 -19.621 1.00 0.00 H new ATOM 0 HG23 THR B 27 18.276 -1.979 -20.450 1.00 0.00 H new ATOM 734 N PRO B 28 17.136 2.291 -23.204 1.00 0.00 N ATOM 735 CA PRO B 28 17.280 3.525 -23.980 1.00 0.00 C ATOM 736 C PRO B 28 17.999 4.618 -23.167 1.00 0.00 C ATOM 737 O PRO B 28 17.444 5.662 -22.825 1.00 0.00 O ATOM 738 CB PRO B 28 15.851 3.900 -24.379 1.00 0.00 C ATOM 739 CG PRO B 28 15.063 3.464 -23.149 1.00 0.00 C ATOM 740 CD PRO B 28 15.747 2.151 -22.780 1.00 0.00 C ATOM 0 HA PRO B 28 17.907 3.401 -24.863 1.00 0.00 H new ATOM 0 HB2 PRO B 28 15.747 4.967 -24.575 1.00 0.00 H new ATOM 0 HB3 PRO B 28 15.527 3.378 -25.279 1.00 0.00 H new ATOM 0 HG2 PRO B 28 15.126 4.196 -22.344 1.00 0.00 H new ATOM 0 HG3 PRO B 28 14.005 3.324 -23.371 1.00 0.00 H new ATOM 0 HD2 PRO B 28 15.683 1.965 -21.708 1.00 0.00 H new ATOM 0 HD3 PRO B 28 15.269 1.308 -23.279 1.00 0.00 H new ATOM 748 N LYS B 29 19.257 4.328 -22.828 1.00 0.00 N ATOM 749 CA LYS B 29 20.196 5.182 -22.071 1.00 0.00 C ATOM 750 C LYS B 29 19.808 5.338 -20.576 1.00 0.00 C ATOM 751 O LYS B 29 20.174 6.318 -19.917 1.00 0.00 O ATOM 752 CB LYS B 29 20.412 6.518 -22.824 1.00 0.00 C ATOM 753 CG LYS B 29 21.791 7.145 -22.555 1.00 0.00 C ATOM 754 CD LYS B 29 21.963 8.449 -23.343 1.00 0.00 C ATOM 755 CE LYS B 29 23.344 9.056 -23.062 1.00 0.00 C ATOM 756 NZ LYS B 29 23.550 10.326 -23.806 1.00 0.00 N1+ ATOM 0 H LYS B 29 19.681 3.437 -23.087 1.00 0.00 H new ATOM 0 HA LYS B 29 21.164 4.682 -22.025 1.00 0.00 H new ATOM 0 HB2 LYS B 29 20.300 6.347 -23.895 1.00 0.00 H new ATOM 0 HB3 LYS B 29 19.635 7.224 -22.530 1.00 0.00 H new ATOM 0 HG2 LYS B 29 21.903 7.342 -21.489 1.00 0.00 H new ATOM 0 HG3 LYS B 29 22.575 6.441 -22.833 1.00 0.00 H new ATOM 0 HD2 LYS B 29 21.852 8.256 -24.410 1.00 0.00 H new ATOM 0 HD3 LYS B 29 21.182 9.157 -23.065 1.00 0.00 H new ATOM 0 HE2 LYS B 29 23.450 9.240 -21.993 1.00 0.00 H new ATOM 0 HE3 LYS B 29 24.119 8.342 -23.341 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 24.494 10.705 -23.590 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 23.474 10.146 -24.828 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 22.826 11.016 -23.521 1.00 0.00 H new ATOM 770 N THR B 30 19.048 4.370 -20.046 1.00 0.00 N ATOM 771 CA THR B 30 18.555 4.278 -18.653 1.00 0.00 C ATOM 772 C THR B 30 19.674 4.404 -17.611 1.00 0.00 C ATOM 773 O THR B 30 20.690 3.679 -17.719 1.00 0.00 O ATOM 774 CB THR B 30 17.804 2.957 -18.435 1.00 0.00 C ATOM 775 OG1 THR B 30 16.921 2.730 -19.516 1.00 0.00 O ATOM 776 CG2 THR B 30 16.971 2.966 -17.153 1.00 0.00 C ATOM 777 OXT THR B 30 19.532 5.231 -16.681 1.00 0.00 O1- ATOM 0 H THR B 30 18.738 3.578 -20.609 1.00 0.00 H new ATOM 0 HA THR B 30 17.880 5.122 -18.512 1.00 0.00 H new ATOM 0 HB THR B 30 18.558 2.174 -18.360 1.00 0.00 H new ATOM 0 HG1 THR B 30 16.443 1.886 -19.377 1.00 0.00 H new ATOM 0 HG21 THR B 30 16.460 2.010 -17.045 1.00 0.00 H new ATOM 0 HG22 THR B 30 17.624 3.127 -16.296 1.00 0.00 H new ATOM 0 HG23 THR B 30 16.234 3.768 -17.203 1.00 0.00 H new TER 785 THR B 30