USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 391 hydrogens (7 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 Single : A 1 GLY N :NH3+ -171:sc= -0.128 (180deg=-0.275) USER MOD Single : A 5 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 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= 0.863 K(o=0.86,f=-4.9!) USER MOD Single : A 18 ASN : amide:sc= -0.0653 X(o=-0.065,f=-0.38) USER MOD Single : A 19 TYR OH : rot 180:sc=-0.00859 USER MOD Single : A 21 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.2) USER MOD Single : B 1 PHE N :NH3+ 154:sc= 0.128 (180deg=0.0106) USER MOD Single : B 3 ASN : amide:sc= 0.556 K(o=0.56,f=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.938 K(o=0.94,f=-2.9!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.27) USER MOD Single : B 16 TYR OH : rot 180:sc= -0.856 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ -171:sc=-0.00559 (180deg=-0.0795) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.132 -2.337 -1.294 1.00 25.00 N ATOM 2 CA GLY A 1 2.766 -0.847 -1.390 1.00 25.00 C ATOM 3 C GLY A 1 2.209 -0.466 -2.748 1.00 25.00 C ATOM 4 O GLY A 1 1.475 0.465 -2.929 1.00 25.00 O ATOM 0 H1 GLY A 1 3.362 -2.575 -0.308 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.326 -2.913 -1.611 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.956 -2.532 -1.898 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.032 -0.607 -0.621 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.652 -0.246 -1.184 1.00 25.00 H new ATOM 9 N ILE A 2 2.555 -1.306 -3.733 1.00 25.00 N ATOM 10 CA ILE A 2 2.045 -1.078 -5.084 1.00 25.00 C ATOM 11 C ILE A 2 0.506 -1.206 -5.136 1.00 25.00 C ATOM 12 O ILE A 2 -0.152 -0.382 -5.735 1.00 25.00 O ATOM 13 CB ILE A 2 2.700 -2.045 -6.123 1.00 25.00 C ATOM 14 CG1 ILE A 2 4.239 -2.043 -5.930 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.329 -1.606 -7.551 1.00 25.00 C ATOM 16 CD1 ILE A 2 4.994 -2.961 -6.916 1.00 25.00 C ATOM 0 H ILE A 2 3.162 -2.118 -3.625 1.00 25.00 H new ATOM 0 HA ILE A 2 2.317 -0.057 -5.353 1.00 25.00 H new ATOM 0 HB ILE A 2 2.328 -3.058 -5.968 1.00 25.00 H new ATOM 0 HG12 ILE A 2 4.608 -1.024 -6.042 1.00 25.00 H new ATOM 0 HG13 ILE A 2 4.468 -2.354 -4.911 1.00 25.00 H new ATOM 0 HG21 ILE A 2 2.788 -2.284 -8.271 1.00 25.00 H new ATOM 0 HG22 ILE A 2 1.246 -1.631 -7.669 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.690 -0.592 -7.725 1.00 25.00 H new ATOM 0 HD11 ILE A 2 6.064 -2.905 -6.718 1.00 25.00 H new ATOM 0 HD12 ILE A 2 4.654 -3.989 -6.789 1.00 25.00 H new ATOM 0 HD13 ILE A 2 4.797 -2.638 -7.938 1.00 25.00 H new ATOM 28 N VAL A 3 -0.012 -2.180 -4.439 1.00 25.00 N ATOM 29 CA VAL A 3 -1.456 -2.355 -4.314 1.00 25.00 C ATOM 30 C VAL A 3 -2.123 -1.250 -3.518 1.00 25.00 C ATOM 31 O VAL A 3 -3.203 -0.796 -3.821 1.00 25.00 O ATOM 32 CB VAL A 3 -1.809 -3.713 -3.657 1.00 25.00 C ATOM 33 CG1 VAL A 3 -1.338 -4.844 -4.538 1.00 25.00 C ATOM 34 CG2 VAL A 3 -1.160 -3.900 -2.237 1.00 25.00 C ATOM 0 H VAL A 3 0.540 -2.877 -3.940 1.00 25.00 H new ATOM 0 HA VAL A 3 -1.836 -2.322 -5.335 1.00 25.00 H new ATOM 0 HB VAL A 3 -2.892 -3.722 -3.538 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -1.588 -5.797 -4.072 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -1.827 -4.776 -5.510 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -0.258 -4.777 -4.670 1.00 25.00 H new ATOM 0 HG21 VAL A 3 -1.446 -4.870 -1.831 1.00 25.00 H new ATOM 0 HG22 VAL A 3 -0.075 -3.848 -2.323 1.00 25.00 H new ATOM 0 HG23 VAL A 3 -1.509 -3.111 -1.571 1.00 25.00 H new ATOM 44 N GLU A 4 -1.402 -0.741 -2.532 1.00 25.00 N ATOM 45 CA GLU A 4 -1.922 0.320 -1.677 1.00 25.00 C ATOM 46 C GLU A 4 -2.159 1.577 -2.481 1.00 25.00 C ATOM 47 O GLU A 4 -3.126 2.291 -2.276 1.00 25.00 O ATOM 48 CB GLU A 4 -0.927 0.619 -0.570 1.00 25.00 C ATOM 49 CG GLU A 4 -0.978 -0.356 0.558 1.00 25.00 C ATOM 50 CD GLU A 4 -2.032 -0.012 1.561 1.00 25.00 C ATOM 51 OE1 GLU A 4 -3.202 -0.100 1.340 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.562 0.391 2.671 1.00 25.00 O ATOM 0 H GLU A 4 -0.455 -1.043 -2.302 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.867 -0.013 -1.247 1.00 25.00 H new ATOM 0 HB2 GLU A 4 0.079 0.625 -0.989 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.117 1.620 -0.183 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -1.168 -1.354 0.164 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -0.007 -0.387 1.052 1.00 25.00 H new ATOM 60 N GLN A 5 -1.259 1.850 -3.405 1.00 25.00 N ATOM 61 CA GLN A 5 -1.389 3.036 -4.247 1.00 25.00 C ATOM 62 C GLN A 5 -2.305 2.830 -5.470 1.00 25.00 C ATOM 63 O GLN A 5 -2.948 3.769 -5.923 1.00 25.00 O ATOM 64 CB GLN A 5 0.032 3.477 -4.724 1.00 25.00 C ATOM 65 CG GLN A 5 0.020 4.865 -5.381 1.00 25.00 C ATOM 66 CD GLN A 5 -0.428 5.960 -4.445 1.00 25.00 C ATOM 67 OE1 GLN A 5 0.316 6.402 -3.597 1.00 25.00 O ATOM 68 NE2 GLN A 5 -1.618 6.417 -4.598 1.00 25.00 N ATOM 0 H GLN A 5 -0.436 1.278 -3.595 1.00 25.00 H new ATOM 0 HA GLN A 5 -1.860 3.809 -3.639 1.00 25.00 H new ATOM 0 HB2 GLN A 5 0.712 3.486 -3.872 1.00 25.00 H new ATOM 0 HB3 GLN A 5 0.419 2.745 -5.433 1.00 25.00 H new ATOM 0 HG2 GLN A 5 1.020 5.095 -5.747 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -0.640 4.844 -6.248 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -2.225 6.028 -5.319 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -1.956 7.169 -3.998 1.00 25.00 H new ATOM 77 N CYS A 6 -2.287 1.625 -6.059 1.00 25.00 N ATOM 78 CA CYS A 6 -3.043 1.345 -7.294 1.00 25.00 C ATOM 79 C CYS A 6 -4.396 0.622 -7.128 1.00 25.00 C ATOM 80 O CYS A 6 -5.215 0.609 -8.020 1.00 25.00 O ATOM 81 CB CYS A 6 -2.150 0.591 -8.294 1.00 25.00 C ATOM 82 SG CYS A 6 -1.444 1.627 -9.640 1.00 25.00 S ATOM 0 H CYS A 6 -1.759 0.828 -5.703 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.320 2.329 -7.671 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.331 0.125 -7.747 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.732 -0.214 -8.743 1.00 25.00 H new ATOM 87 N CYS A 7 -4.646 0.017 -5.980 1.00 25.00 N ATOM 88 CA CYS A 7 -5.954 -0.565 -5.702 1.00 25.00 C ATOM 89 C CYS A 7 -6.851 0.524 -5.120 1.00 25.00 C ATOM 90 O CYS A 7 -8.030 0.299 -4.881 1.00 25.00 O ATOM 91 CB CYS A 7 -5.815 -1.793 -4.835 1.00 25.00 C ATOM 92 SG CYS A 7 -7.177 -3.010 -5.005 1.00 25.00 S ATOM 0 H CYS A 7 -3.966 -0.086 -5.226 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.432 -0.922 -6.614 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -4.873 -2.286 -5.076 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -5.754 -1.480 -3.793 1.00 25.00 H new ATOM 97 N THR A 8 -6.319 1.731 -4.957 1.00 25.00 N ATOM 98 CA THR A 8 -7.134 2.882 -4.624 1.00 25.00 C ATOM 99 C THR A 8 -6.963 3.823 -5.780 1.00 25.00 C ATOM 100 O THR A 8 -6.059 3.625 -6.577 1.00 25.00 O ATOM 101 CB THR A 8 -6.755 3.563 -3.292 1.00 25.00 C ATOM 102 OG1 THR A 8 -7.731 4.532 -2.909 1.00 25.00 O ATOM 103 CG2 THR A 8 -5.397 4.273 -3.386 1.00 25.00 C ATOM 0 H THR A 8 -5.324 1.932 -5.052 1.00 25.00 H new ATOM 0 HA THR A 8 -8.168 2.574 -4.470 1.00 25.00 H new ATOM 0 HB THR A 8 -6.704 2.769 -2.547 1.00 25.00 H new ATOM 0 HG1 THR A 8 -7.466 4.946 -2.061 1.00 25.00 H new ATOM 0 HG21 THR A 8 -5.164 4.741 -2.429 1.00 25.00 H new ATOM 0 HG22 THR A 8 -4.623 3.546 -3.633 1.00 25.00 H new ATOM 0 HG23 THR A 8 -5.439 5.037 -4.163 1.00 25.00 H new ATOM 111 N SER A 9 -7.870 4.754 -5.925 1.00 25.00 N ATOM 112 CA SER A 9 -7.961 5.631 -7.093 1.00 25.00 C ATOM 113 C SER A 9 -7.960 4.847 -8.397 1.00 25.00 C ATOM 114 O SER A 9 -8.391 3.690 -8.384 1.00 25.00 O ATOM 115 CB SER A 9 -6.802 6.657 -7.040 1.00 25.00 C ATOM 116 OG SER A 9 -6.514 7.135 -5.721 1.00 25.00 O ATOM 0 H SER A 9 -8.589 4.938 -5.225 1.00 25.00 H new ATOM 0 HA SER A 9 -8.913 6.161 -7.064 1.00 25.00 H new ATOM 0 HB2 SER A 9 -5.904 6.199 -7.455 1.00 25.00 H new ATOM 0 HB3 SER A 9 -7.050 7.505 -7.678 1.00 25.00 H new ATOM 0 HG SER A 9 -5.774 7.776 -5.760 1.00 25.00 H new ATOM 122 N ILE A 10 -7.514 5.428 -9.520 1.00 25.00 N ATOM 123 CA ILE A 10 -7.465 4.659 -10.787 1.00 25.00 C ATOM 124 C ILE A 10 -5.973 4.415 -11.134 1.00 25.00 C ATOM 125 O ILE A 10 -5.200 5.369 -11.374 1.00 25.00 O ATOM 126 CB ILE A 10 -8.151 5.430 -11.943 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.638 5.750 -11.645 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.054 4.602 -13.284 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.572 4.546 -11.226 1.00 25.00 C ATOM 0 H ILE A 10 -7.191 6.393 -9.586 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.998 3.717 -10.661 1.00 25.00 H new ATOM 0 HB ILE A 10 -7.622 6.377 -12.046 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -9.669 6.493 -10.848 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.067 6.216 -12.533 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -8.540 5.154 -14.089 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.006 4.440 -13.536 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.549 3.640 -13.154 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.582 4.914 -11.048 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.591 3.805 -12.025 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.188 4.087 -10.315 1.00 25.00 H new ATOM 141 N CYS A 11 -5.575 3.156 -11.169 1.00 25.00 N ATOM 142 CA CYS A 11 -4.191 2.780 -11.483 1.00 25.00 C ATOM 143 C CYS A 11 -3.917 3.180 -12.930 1.00 25.00 C ATOM 144 O CYS A 11 -4.496 2.647 -13.875 1.00 25.00 O ATOM 145 CB CYS A 11 -3.956 1.291 -11.320 1.00 25.00 C ATOM 146 SG CYS A 11 -2.208 0.801 -11.318 1.00 25.00 S ATOM 0 H CYS A 11 -6.190 2.364 -10.983 1.00 25.00 H new ATOM 0 HA CYS A 11 -3.521 3.291 -10.792 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.413 0.964 -10.386 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -4.467 0.765 -12.126 1.00 25.00 H new ATOM 151 N SER A 12 -3.030 4.156 -13.112 1.00 25.00 N ATOM 152 CA SER A 12 -2.759 4.738 -14.424 1.00 25.00 C ATOM 153 C SER A 12 -1.448 4.259 -15.004 1.00 25.00 C ATOM 154 O SER A 12 -0.532 3.925 -14.307 1.00 25.00 O ATOM 155 CB SER A 12 -2.658 6.245 -14.292 1.00 25.00 C ATOM 156 OG SER A 12 -3.828 6.726 -13.659 1.00 25.00 O ATOM 0 H SER A 12 -2.480 4.565 -12.356 1.00 25.00 H new ATOM 0 HA SER A 12 -3.575 4.434 -15.080 1.00 25.00 H new ATOM 0 HB2 SER A 12 -1.776 6.515 -13.711 1.00 25.00 H new ATOM 0 HB3 SER A 12 -2.545 6.703 -15.274 1.00 25.00 H new ATOM 0 HG SER A 12 -3.773 7.700 -13.567 1.00 25.00 H new ATOM 162 N LEU A 13 -1.289 4.267 -16.373 1.00 25.00 N ATOM 163 CA LEU A 13 -0.092 3.727 -17.071 1.00 25.00 C ATOM 164 C LEU A 13 1.198 4.418 -16.612 1.00 25.00 C ATOM 165 O LEU A 13 2.331 3.787 -16.445 1.00 25.00 O ATOM 166 CB LEU A 13 -0.230 3.843 -18.641 1.00 25.00 C ATOM 167 CG LEU A 13 -1.450 3.008 -19.182 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.604 3.140 -20.712 1.00 25.00 C ATOM 169 CD2 LEU A 13 -1.294 1.559 -18.860 1.00 25.00 C ATOM 0 H LEU A 13 -1.990 4.648 -17.008 1.00 25.00 H new ATOM 0 HA LEU A 13 -0.031 2.672 -16.804 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -0.354 4.890 -18.919 1.00 25.00 H new ATOM 0 HB3 LEU A 13 0.688 3.494 -19.114 1.00 25.00 H new ATOM 0 HG LEU A 13 -2.336 3.411 -18.691 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.457 2.549 -21.044 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -1.764 4.186 -20.973 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -0.699 2.779 -21.201 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -2.151 1.006 -19.245 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -0.381 1.180 -19.320 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -1.236 1.431 -17.779 1.00 25.00 H new ATOM 181 N TYR A 14 1.118 5.720 -16.381 1.00 25.00 N ATOM 182 CA TYR A 14 2.235 6.558 -16.012 1.00 25.00 C ATOM 183 C TYR A 14 2.774 6.105 -14.642 1.00 25.00 C ATOM 184 O TYR A 14 3.950 6.054 -14.375 1.00 25.00 O ATOM 185 CB TYR A 14 1.743 8.054 -15.956 1.00 25.00 C ATOM 186 CG TYR A 14 2.919 8.961 -15.638 1.00 25.00 C ATOM 187 CD1 TYR A 14 3.209 9.215 -14.360 1.00 25.00 C ATOM 188 CD2 TYR A 14 3.672 9.440 -16.660 1.00 25.00 C ATOM 189 CE1 TYR A 14 4.294 9.970 -14.009 1.00 25.00 C ATOM 190 CE2 TYR A 14 4.908 10.320 -16.362 1.00 25.00 C ATOM 191 CZ TYR A 14 5.173 10.505 -14.870 1.00 25.00 C ATOM 192 OH TYR A 14 6.229 11.206 -14.476 1.00 25.00 O ATOM 0 H TYR A 14 0.240 6.234 -16.449 1.00 25.00 H new ATOM 0 HA TYR A 14 3.039 6.476 -16.744 1.00 25.00 H new ATOM 0 HB2 TYR A 14 1.298 8.338 -16.910 1.00 25.00 H new ATOM 0 HB3 TYR A 14 0.968 8.165 -15.197 1.00 25.00 H new ATOM 0 HD1 TYR A 14 2.572 8.815 -13.585 1.00 25.00 H new ATOM 0 HD2 TYR A 14 3.408 9.207 -17.681 1.00 25.00 H new ATOM 0 HE1 TYR A 14 4.456 10.150 -12.956 1.00 25.00 H new ATOM 0 HE2 TYR A 14 5.523 10.760 -17.133 1.00 25.00 H new ATOM 0 HH TYR A 14 6.736 11.502 -15.260 1.00 25.00 H new ATOM 202 N GLN A 15 1.797 5.819 -13.749 1.00 25.00 N ATOM 203 CA GLN A 15 2.102 5.347 -12.422 1.00 25.00 C ATOM 204 C GLN A 15 2.763 3.986 -12.532 1.00 25.00 C ATOM 205 O GLN A 15 3.799 3.772 -11.895 1.00 25.00 O ATOM 206 CB GLN A 15 0.798 5.206 -11.580 1.00 25.00 C ATOM 207 CG GLN A 15 0.189 6.571 -11.216 1.00 25.00 C ATOM 208 CD GLN A 15 -1.161 6.409 -10.488 1.00 25.00 C ATOM 209 OE1 GLN A 15 -2.014 5.677 -10.962 1.00 25.00 O ATOM 210 NE2 GLN A 15 -1.286 6.963 -9.319 1.00 25.00 N ATOM 0 H GLN A 15 0.800 5.914 -13.944 1.00 25.00 H new ATOM 0 HA GLN A 15 2.764 6.061 -11.932 1.00 25.00 H new ATOM 0 HB2 GLN A 15 0.068 4.622 -12.140 1.00 25.00 H new ATOM 0 HB3 GLN A 15 1.016 4.652 -10.667 1.00 25.00 H new ATOM 0 HG2 GLN A 15 0.882 7.123 -10.581 1.00 25.00 H new ATOM 0 HG3 GLN A 15 0.047 7.161 -12.122 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -0.548 7.569 -8.960 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -2.122 6.792 -8.760 1.00 25.00 H new ATOM 219 N LEU A 16 2.186 3.095 -13.330 1.00 25.00 N ATOM 220 CA LEU A 16 2.677 1.711 -13.500 1.00 25.00 C ATOM 221 C LEU A 16 4.125 1.648 -13.924 1.00 25.00 C ATOM 222 O LEU A 16 4.887 0.866 -13.381 1.00 25.00 O ATOM 223 CB LEU A 16 1.803 0.964 -14.541 1.00 25.00 C ATOM 224 CG LEU A 16 0.515 0.319 -13.979 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.533 0.152 -15.088 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.759 -1.030 -13.265 1.00 25.00 C ATOM 0 H LEU A 16 1.357 3.303 -13.887 1.00 25.00 H new ATOM 0 HA LEU A 16 2.603 1.230 -12.525 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.525 1.665 -15.328 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.407 0.185 -15.006 1.00 25.00 H new ATOM 0 HG LEU A 16 0.140 1.006 -13.220 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.432 -0.303 -14.673 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.780 1.128 -15.505 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.132 -0.488 -15.874 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.189 -1.423 -12.897 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.198 -1.739 -13.967 1.00 25.00 H new ATOM 0 HD23 LEU A 16 1.440 -0.880 -12.427 1.00 25.00 H new ATOM 238 N GLU A 17 4.527 2.531 -14.810 1.00 25.00 N ATOM 239 CA GLU A 17 5.912 2.578 -15.225 1.00 25.00 C ATOM 240 C GLU A 17 6.856 2.937 -14.085 1.00 25.00 C ATOM 241 O GLU A 17 7.995 2.535 -14.151 1.00 25.00 O ATOM 242 CB GLU A 17 6.104 3.594 -16.352 1.00 25.00 C ATOM 243 CG GLU A 17 5.650 3.063 -17.685 1.00 25.00 C ATOM 244 CD GLU A 17 6.028 3.964 -18.796 1.00 25.00 C ATOM 245 OE1 GLU A 17 6.567 5.030 -18.635 1.00 25.00 O ATOM 246 OE2 GLU A 17 5.644 3.535 -19.953 1.00 25.00 O ATOM 0 H GLU A 17 3.921 3.221 -15.254 1.00 25.00 H new ATOM 0 HA GLU A 17 6.157 1.574 -15.571 1.00 25.00 H new ATOM 0 HB2 GLU A 17 5.549 4.502 -16.117 1.00 25.00 H new ATOM 0 HB3 GLU A 17 7.157 3.870 -16.413 1.00 25.00 H new ATOM 0 HG2 GLU A 17 6.087 2.078 -17.851 1.00 25.00 H new ATOM 0 HG3 GLU A 17 4.568 2.934 -17.675 1.00 25.00 H new ATOM 254 N ASN A 18 6.409 3.629 -13.053 1.00 25.00 N ATOM 255 CA ASN A 18 7.336 3.991 -11.986 1.00 25.00 C ATOM 256 C ASN A 18 7.694 2.733 -11.227 1.00 25.00 C ATOM 257 O ASN A 18 8.795 2.630 -10.726 1.00 25.00 O ATOM 258 CB ASN A 18 6.812 5.019 -11.018 1.00 25.00 C ATOM 259 CG ASN A 18 6.859 6.406 -11.575 1.00 25.00 C ATOM 260 OD1 ASN A 18 7.839 6.855 -12.115 1.00 25.00 O ATOM 261 ND2 ASN A 18 5.770 7.097 -11.441 1.00 25.00 N ATOM 0 H ASN A 18 5.447 3.944 -12.927 1.00 25.00 H new ATOM 0 HA ASN A 18 8.200 4.451 -12.465 1.00 25.00 H new ATOM 0 HB2 ASN A 18 5.784 4.772 -10.752 1.00 25.00 H new ATOM 0 HB3 ASN A 18 7.397 4.980 -10.099 1.00 25.00 H new ATOM 0 HD21 ASN A 18 5.724 8.051 -11.798 1.00 25.00 H new ATOM 0 HD22 ASN A 18 4.959 6.686 -10.979 1.00 25.00 H new ATOM 268 N TYR A 19 6.784 1.767 -11.128 1.00 25.00 N ATOM 269 CA TYR A 19 7.072 0.510 -10.434 1.00 25.00 C ATOM 270 C TYR A 19 7.888 -0.457 -11.255 1.00 25.00 C ATOM 271 O TYR A 19 8.317 -1.480 -10.764 1.00 25.00 O ATOM 272 CB TYR A 19 5.783 -0.175 -10.004 1.00 25.00 C ATOM 273 CG TYR A 19 4.952 0.688 -9.092 1.00 25.00 C ATOM 274 CD1 TYR A 19 5.331 0.874 -7.740 1.00 25.00 C ATOM 275 CD2 TYR A 19 3.795 1.317 -9.551 1.00 25.00 C ATOM 276 CE1 TYR A 19 4.568 1.661 -6.884 1.00 25.00 C ATOM 277 CE2 TYR A 19 3.026 2.097 -8.683 1.00 25.00 C ATOM 278 CZ TYR A 19 3.456 2.287 -7.316 1.00 25.00 C ATOM 279 OH TYR A 19 2.705 3.060 -6.497 1.00 25.00 O ATOM 0 H TYR A 19 5.843 1.828 -11.517 1.00 25.00 H new ATOM 0 HA TYR A 19 7.667 0.786 -9.563 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.199 -0.433 -10.888 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.023 -1.110 -9.497 1.00 25.00 H new ATOM 0 HD1 TYR A 19 6.226 0.397 -7.368 1.00 25.00 H new ATOM 0 HD2 TYR A 19 3.492 1.201 -10.581 1.00 25.00 H new ATOM 0 HE1 TYR A 19 4.873 1.772 -5.854 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.113 2.556 -9.032 1.00 25.00 H new ATOM 0 HH TYR A 19 1.945 3.424 -6.997 1.00 25.00 H new ATOM 289 N CYS A 20 8.104 -0.127 -12.525 1.00 25.00 N ATOM 290 CA CYS A 20 8.884 -0.990 -13.426 1.00 25.00 C ATOM 291 C CYS A 20 10.354 -0.785 -13.110 1.00 25.00 C ATOM 292 O CYS A 20 11.223 -1.549 -13.512 1.00 25.00 O ATOM 293 CB CYS A 20 8.614 -0.591 -14.890 1.00 25.00 C ATOM 294 SG CYS A 20 9.215 -1.779 -16.124 1.00 25.00 S ATOM 0 H CYS A 20 7.754 0.727 -12.959 1.00 25.00 H new ATOM 0 HA CYS A 20 8.603 -2.034 -13.288 1.00 25.00 H new ATOM 0 HB2 CYS A 20 7.540 -0.460 -15.024 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.079 0.376 -15.080 1.00 25.00 H new ATOM 299 N ASN A 21 10.660 0.344 -12.443 1.00 25.00 N ATOM 300 CA ASN A 21 12.030 0.740 -12.141 1.00 25.00 C ATOM 301 C ASN A 21 12.628 -0.126 -11.024 1.00 25.00 C ATOM 302 O ASN A 21 12.943 0.268 -9.927 1.00 25.00 O ATOM 303 CB ASN A 21 12.018 2.235 -11.721 1.00 25.00 C ATOM 304 CG ASN A 21 13.413 2.749 -11.408 1.00 25.00 C ATOM 305 OD1 ASN A 21 14.430 2.432 -11.973 1.00 25.00 O ATOM 306 ND2 ASN A 21 13.431 3.705 -10.489 1.00 25.00 N ATOM 307 OXT ASN A 21 12.741 -1.384 -11.332 1.00 25.00 O ATOM 0 H ASN A 21 9.958 1.001 -12.103 1.00 25.00 H new ATOM 0 HA ASN A 21 12.653 0.598 -13.024 1.00 25.00 H new ATOM 0 HB2 ASN A 21 11.582 2.833 -12.521 1.00 25.00 H new ATOM 0 HB3 ASN A 21 11.380 2.361 -10.846 1.00 25.00 H new ATOM 0 HD21 ASN A 21 14.307 4.174 -10.258 1.00 25.00 H new ATOM 0 HD22 ASN A 21 12.569 3.971 -10.013 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -6.287 -1.979 -23.501 1.00 25.00 N ATOM 317 CA PHE B 1 -6.016 -1.615 -22.094 1.00 25.00 C ATOM 318 C PHE B 1 -7.170 -0.847 -21.384 1.00 25.00 C ATOM 319 O PHE B 1 -7.688 0.181 -21.781 1.00 25.00 O ATOM 320 CB PHE B 1 -4.735 -0.755 -22.079 1.00 25.00 C ATOM 321 CG PHE B 1 -3.436 -1.599 -22.258 1.00 25.00 C ATOM 322 CD1 PHE B 1 -2.820 -2.169 -21.130 1.00 25.00 C ATOM 323 CD2 PHE B 1 -2.887 -1.835 -23.475 1.00 25.00 C ATOM 324 CE1 PHE B 1 -1.679 -2.978 -21.258 1.00 25.00 C ATOM 325 CE2 PHE B 1 -1.745 -2.644 -23.597 1.00 25.00 C ATOM 326 CZ PHE B 1 -1.149 -3.203 -22.494 1.00 25.00 C ATOM 0 H1 PHE B 1 -5.388 -2.069 -24.016 1.00 25.00 H new ATOM 0 H2 PHE B 1 -6.797 -2.885 -23.533 1.00 25.00 H new ATOM 0 H3 PHE B 1 -6.867 -1.239 -23.945 1.00 25.00 H new ATOM 0 HA PHE B 1 -5.907 -2.543 -21.533 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -4.792 -0.012 -22.875 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.681 -0.209 -21.137 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -3.231 -1.982 -20.149 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -3.331 -1.398 -24.357 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -1.224 -3.419 -20.383 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -1.329 -2.829 -24.576 1.00 25.00 H new ATOM 0 HZ PHE B 1 -0.267 -3.816 -22.604 1.00 25.00 H new ATOM 337 N VAL B 2 -7.530 -1.389 -20.199 1.00 25.00 N ATOM 338 CA VAL B 2 -8.530 -0.918 -19.262 1.00 25.00 C ATOM 339 C VAL B 2 -7.805 -0.492 -17.942 1.00 25.00 C ATOM 340 O VAL B 2 -7.024 -1.261 -17.331 1.00 25.00 O ATOM 341 CB VAL B 2 -9.675 -2.008 -18.989 1.00 25.00 C ATOM 342 CG1 VAL B 2 -10.722 -1.423 -18.026 1.00 25.00 C ATOM 343 CG2 VAL B 2 -10.311 -2.425 -20.311 1.00 25.00 C ATOM 0 H VAL B 2 -7.079 -2.239 -19.861 1.00 25.00 H new ATOM 0 HA VAL B 2 -9.045 -0.059 -19.692 1.00 25.00 H new ATOM 0 HB VAL B 2 -9.242 -2.895 -18.526 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -11.500 -2.164 -17.841 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -10.242 -1.158 -17.084 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -11.167 -0.533 -18.470 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -11.088 -3.165 -20.123 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -10.750 -1.552 -20.795 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -9.550 -2.855 -20.961 1.00 25.00 H new ATOM 353 N ASN B 3 -8.048 0.732 -17.508 1.00 25.00 N ATOM 354 CA ASN B 3 -7.456 1.243 -16.304 1.00 25.00 C ATOM 355 C ASN B 3 -8.582 1.409 -15.301 1.00 25.00 C ATOM 356 O ASN B 3 -9.642 1.913 -15.603 1.00 25.00 O ATOM 357 CB ASN B 3 -6.725 2.558 -16.588 1.00 25.00 C ATOM 358 CG ASN B 3 -5.490 2.337 -17.442 1.00 25.00 C ATOM 359 OD1 ASN B 3 -5.567 2.365 -18.649 1.00 25.00 O ATOM 360 ND2 ASN B 3 -4.359 2.120 -16.803 1.00 25.00 N ATOM 0 H ASN B 3 -8.662 1.392 -17.986 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.705 0.564 -15.901 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -7.400 3.248 -17.095 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -6.438 3.026 -15.646 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -3.498 1.966 -17.328 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -4.344 2.106 -15.783 1.00 25.00 H new ATOM 367 N GLN B 4 -8.344 0.892 -14.104 1.00 25.00 N ATOM 368 CA GLN B 4 -9.346 0.922 -13.045 1.00 25.00 C ATOM 369 C GLN B 4 -8.561 0.789 -11.751 1.00 25.00 C ATOM 370 O GLN B 4 -7.332 0.891 -11.753 1.00 25.00 O ATOM 371 CB GLN B 4 -10.346 -0.224 -13.240 1.00 25.00 C ATOM 372 CG GLN B 4 -11.818 0.169 -13.015 1.00 25.00 C ATOM 373 CD GLN B 4 -12.650 0.136 -14.299 1.00 25.00 C ATOM 374 OE1 GLN B 4 -12.869 -0.920 -14.866 1.00 25.00 O ATOM 375 NE2 GLN B 4 -13.177 1.280 -14.705 1.00 25.00 N ATOM 0 H GLN B 4 -7.465 0.446 -13.841 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.937 1.838 -13.043 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -10.238 -0.616 -14.251 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -10.090 -1.033 -12.556 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -12.261 -0.508 -12.284 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -11.859 1.171 -12.588 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -12.970 2.144 -14.203 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -13.791 1.298 -15.520 1.00 25.00 H new ATOM 384 N HIS B 5 -9.238 0.494 -10.640 1.00 25.00 N ATOM 385 CA HIS B 5 -8.535 0.048 -9.448 1.00 25.00 C ATOM 386 C HIS B 5 -7.915 -1.284 -9.835 1.00 25.00 C ATOM 387 O HIS B 5 -8.632 -2.102 -10.437 1.00 25.00 O ATOM 388 CB HIS B 5 -9.478 -0.187 -8.288 1.00 25.00 C ATOM 389 CG HIS B 5 -10.190 1.035 -7.790 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.029 1.543 -6.491 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.085 1.872 -8.379 1.00 25.00 C ATOM 392 CE1 HIS B 5 -10.827 2.615 -6.356 1.00 25.00 C ATOM 393 NE2 HIS B 5 -11.479 2.813 -7.474 1.00 25.00 N ATOM 0 H HIS B 5 -10.252 0.556 -10.546 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.812 0.799 -9.129 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.222 -0.925 -8.588 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -8.913 -0.621 -7.463 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.412 1.163 -5.773 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -11.429 1.803 -9.400 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -10.917 3.219 -5.465 1.00 25.00 H new ATOM 402 N LEU B 6 -6.672 -1.530 -9.454 1.00 25.00 N ATOM 403 CA LEU B 6 -6.014 -2.812 -9.748 1.00 25.00 C ATOM 404 C LEU B 6 -5.388 -3.434 -8.507 1.00 25.00 C ATOM 405 O LEU B 6 -4.627 -2.746 -7.808 1.00 25.00 O ATOM 406 CB LEU B 6 -4.898 -2.675 -10.793 1.00 25.00 C ATOM 407 CG LEU B 6 -5.283 -2.236 -12.213 1.00 25.00 C ATOM 408 CD1 LEU B 6 -3.978 -2.113 -13.077 1.00 25.00 C ATOM 409 CD2 LEU B 6 -6.183 -3.233 -12.866 1.00 25.00 C ATOM 0 H LEU B 6 -6.092 -0.866 -8.941 1.00 25.00 H new ATOM 0 HA LEU B 6 -6.810 -3.449 -10.133 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -4.169 -1.961 -10.410 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -4.392 -3.638 -10.868 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.806 -1.282 -12.145 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -4.239 -1.802 -14.088 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -3.314 -1.373 -12.630 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -3.474 -3.079 -13.114 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -6.437 -2.892 -13.870 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -5.676 -4.196 -12.927 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -7.095 -3.340 -12.278 1.00 25.00 H new ATOM 421 N CYS B 7 -5.704 -4.692 -8.251 1.00 25.00 N ATOM 422 CA CYS B 7 -5.208 -5.424 -7.106 1.00 25.00 C ATOM 423 C CYS B 7 -4.630 -6.776 -7.573 1.00 25.00 C ATOM 424 O CYS B 7 -4.970 -7.301 -8.657 1.00 25.00 O ATOM 425 CB CYS B 7 -6.394 -5.669 -6.115 1.00 25.00 C ATOM 426 SG CYS B 7 -6.256 -4.763 -4.520 1.00 25.00 S ATOM 0 H CYS B 7 -6.324 -5.240 -8.847 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.423 -4.855 -6.608 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -7.324 -5.379 -6.603 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -6.462 -6.737 -5.907 1.00 25.00 H new HETATM 431 N AIB B 8 -3.839 -7.372 -6.665 1.00 25.00 N HETATM 432 CA AIB B 8 -3.281 -8.752 -6.754 1.00 25.00 C HETATM 433 C AIB B 8 -2.714 -9.100 -8.206 1.00 25.00 C HETATM 434 O AIB B 8 -2.062 -8.295 -8.865 1.00 25.00 O HETATM 435 CB1 AIB B 8 -4.466 -9.683 -6.287 1.00 25.00 C HETATM 436 CB2 AIB B 8 -2.127 -8.932 -5.708 1.00 25.00 C HETATM 0 H AIB B 8 -3.553 -6.895 -5.810 1.00 25.00 H new HETATM 0 HB11 AIB B 8 -4.145 -10.724 -6.320 1.00 25.00 H new HETATM 0 HB12 AIB B 8 -4.752 -9.424 -5.268 1.00 25.00 H new HETATM 0 HB13 AIB B 8 -5.320 -9.545 -6.950 1.00 25.00 H new HETATM 0 HB21 AIB B 8 -1.725 -9.943 -5.780 1.00 25.00 H new HETATM 0 HB22 AIB B 8 -1.335 -8.211 -5.912 1.00 25.00 H new HETATM 0 HB23 AIB B 8 -2.517 -8.767 -4.704 1.00 25.00 H new ATOM 444 N SER B 9 -2.920 -10.367 -8.660 1.00 25.00 N ATOM 445 CA SER B 9 -2.422 -10.901 -9.941 1.00 25.00 C ATOM 446 C SER B 9 -2.685 -9.960 -11.134 1.00 25.00 C ATOM 447 O SER B 9 -1.910 -9.906 -12.073 1.00 25.00 O ATOM 448 CB SER B 9 -3.027 -12.326 -10.225 1.00 25.00 C ATOM 449 OG SER B 9 -2.385 -12.898 -11.351 1.00 25.00 O ATOM 0 H SER B 9 -3.451 -11.055 -8.126 1.00 25.00 H new ATOM 0 HA SER B 9 -1.340 -10.982 -9.838 1.00 25.00 H new ATOM 0 HB2 SER B 9 -2.896 -12.968 -9.354 1.00 25.00 H new ATOM 0 HB3 SER B 9 -4.099 -12.248 -10.405 1.00 25.00 H new ATOM 0 HG SER B 9 -2.761 -13.786 -11.526 1.00 25.00 H new ATOM 455 N HIS B 10 -3.818 -9.260 -11.142 1.00 25.00 N ATOM 456 CA HIS B 10 -4.152 -8.344 -12.228 1.00 25.00 C ATOM 457 C HIS B 10 -3.166 -7.194 -12.362 1.00 25.00 C ATOM 458 O HIS B 10 -2.741 -6.828 -13.469 1.00 25.00 O ATOM 459 CB HIS B 10 -5.549 -7.780 -11.987 1.00 25.00 C ATOM 460 CG HIS B 10 -6.529 -8.810 -11.504 1.00 25.00 C ATOM 461 ND1 HIS B 10 -6.871 -9.941 -12.238 1.00 25.00 N ATOM 462 CD2 HIS B 10 -7.269 -8.917 -10.367 1.00 25.00 C ATOM 463 CE1 HIS B 10 -7.725 -10.681 -11.526 1.00 25.00 C ATOM 464 NE2 HIS B 10 -8.008 -10.054 -10.419 1.00 25.00 N ATOM 0 H HIS B 10 -4.522 -9.311 -10.405 1.00 25.00 H new ATOM 0 HA HIS B 10 -4.108 -8.913 -13.157 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -5.487 -6.975 -11.254 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -5.921 -7.340 -12.913 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -7.268 -8.209 -9.552 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -8.118 -11.643 -11.820 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -8.673 -10.365 -9.711 1.00 25.00 H new ATOM 473 N LEU B 11 -2.767 -6.651 -11.214 1.00 25.00 N ATOM 474 CA LEU B 11 -1.793 -5.572 -11.190 1.00 25.00 C ATOM 475 C LEU B 11 -0.458 -6.110 -11.604 1.00 25.00 C ATOM 476 O LEU B 11 0.273 -5.497 -12.352 1.00 25.00 O ATOM 477 CB LEU B 11 -1.727 -5.042 -9.779 1.00 25.00 C ATOM 478 CG LEU B 11 -1.276 -3.584 -9.533 1.00 25.00 C ATOM 479 CD1 LEU B 11 -1.228 -3.411 -8.049 1.00 25.00 C ATOM 480 CD2 LEU B 11 0.103 -3.184 -10.124 1.00 25.00 C ATOM 0 H LEU B 11 -3.103 -6.941 -10.296 1.00 25.00 H new ATOM 0 HA LEU B 11 -2.076 -4.772 -11.875 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -2.719 -5.155 -9.341 1.00 25.00 H new ATOM 0 HB3 LEU B 11 -1.055 -5.691 -9.218 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.988 -2.938 -10.046 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -0.914 -2.395 -7.811 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -2.217 -3.593 -7.629 1.00 25.00 H new ATOM 0 HD13 LEU B 11 -0.518 -4.119 -7.623 1.00 25.00 H new ATOM 0 HD21 LEU B 11 0.311 -2.140 -9.888 1.00 25.00 H new ATOM 0 HD22 LEU B 11 0.880 -3.815 -9.694 1.00 25.00 H new ATOM 0 HD23 LEU B 11 0.087 -3.315 -11.206 1.00 25.00 H new ATOM 492 N VAL B 12 -0.138 -7.338 -11.158 1.00 25.00 N ATOM 493 CA VAL B 12 1.121 -7.956 -11.571 1.00 25.00 C ATOM 494 C VAL B 12 1.151 -8.149 -13.100 1.00 25.00 C ATOM 495 O VAL B 12 2.176 -7.894 -13.729 1.00 25.00 O ATOM 496 CB VAL B 12 1.340 -9.295 -10.858 1.00 25.00 C ATOM 497 CG1 VAL B 12 2.597 -9.995 -11.349 1.00 25.00 C ATOM 498 CG2 VAL B 12 1.437 -9.049 -9.329 1.00 25.00 C ATOM 0 H VAL B 12 -0.715 -7.901 -10.533 1.00 25.00 H new ATOM 0 HA VAL B 12 1.933 -7.287 -11.287 1.00 25.00 H new ATOM 0 HB VAL B 12 0.493 -9.944 -11.082 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.717 -10.940 -10.820 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.513 -10.186 -12.419 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.464 -9.361 -11.161 1.00 25.00 H new ATOM 0 HG21 VAL B 12 1.593 -9.999 -8.817 1.00 25.00 H new ATOM 0 HG22 VAL B 12 2.274 -8.382 -9.120 1.00 25.00 H new ATOM 0 HG23 VAL B 12 0.513 -8.593 -8.974 1.00 25.00 H new ATOM 508 N GLU B 13 0.074 -8.617 -13.692 1.00 25.00 N ATOM 509 CA GLU B 13 0.065 -8.827 -15.138 1.00 25.00 C ATOM 510 C GLU B 13 0.199 -7.516 -15.904 1.00 25.00 C ATOM 511 O GLU B 13 0.950 -7.427 -16.869 1.00 25.00 O ATOM 512 CB GLU B 13 -1.219 -9.580 -15.537 1.00 25.00 C ATOM 513 CG GLU B 13 -1.251 -10.079 -16.987 1.00 25.00 C ATOM 514 CD GLU B 13 -1.639 -11.523 -17.081 1.00 25.00 C ATOM 515 OE1 GLU B 13 -2.685 -11.887 -17.542 1.00 25.00 O ATOM 516 OE2 GLU B 13 -0.773 -12.326 -16.544 1.00 25.00 O ATOM 0 H GLU B 13 -0.794 -8.858 -13.214 1.00 25.00 H new ATOM 0 HA GLU B 13 0.932 -9.431 -15.406 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.344 -10.434 -14.871 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.073 -8.923 -15.375 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.956 -9.477 -17.561 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.269 -9.938 -17.439 1.00 25.00 H new ATOM 524 N ALA B 14 -0.486 -6.472 -15.422 1.00 25.00 N ATOM 525 CA ALA B 14 -0.394 -5.162 -16.058 1.00 25.00 C ATOM 526 C ALA B 14 1.062 -4.651 -15.954 1.00 25.00 C ATOM 527 O ALA B 14 1.561 -4.079 -16.922 1.00 25.00 O ATOM 528 CB ALA B 14 -1.350 -4.176 -15.385 1.00 25.00 C ATOM 0 H ALA B 14 -1.099 -6.511 -14.608 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.676 -5.248 -17.107 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.270 -3.203 -15.870 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -2.373 -4.543 -15.473 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -1.089 -4.078 -14.331 1.00 25.00 H new ATOM 534 N LEU B 15 1.714 -4.865 -14.831 1.00 25.00 N ATOM 535 CA LEU B 15 3.110 -4.430 -14.663 1.00 25.00 C ATOM 536 C LEU B 15 4.037 -5.205 -15.650 1.00 25.00 C ATOM 537 O LEU B 15 4.865 -4.581 -16.317 1.00 25.00 O ATOM 538 CB LEU B 15 3.556 -4.663 -13.193 1.00 25.00 C ATOM 539 CG LEU B 15 4.159 -3.467 -12.423 1.00 25.00 C ATOM 540 CD1 LEU B 15 4.633 -3.965 -11.074 1.00 25.00 C ATOM 541 CD2 LEU B 15 5.323 -2.816 -13.216 1.00 25.00 C ATOM 0 H LEU B 15 1.315 -5.333 -14.018 1.00 25.00 H new ATOM 0 HA LEU B 15 3.186 -3.366 -14.888 1.00 25.00 H new ATOM 0 HB2 LEU B 15 2.691 -5.019 -12.633 1.00 25.00 H new ATOM 0 HB3 LEU B 15 4.291 -5.468 -13.190 1.00 25.00 H new ATOM 0 HG LEU B 15 3.400 -2.696 -12.289 1.00 25.00 H new ATOM 0 HD11 LEU B 15 5.063 -3.137 -10.511 1.00 25.00 H new ATOM 0 HD12 LEU B 15 3.789 -4.379 -10.522 1.00 25.00 H new ATOM 0 HD13 LEU B 15 5.388 -4.738 -11.216 1.00 25.00 H new ATOM 0 HD21 LEU B 15 5.726 -1.978 -12.648 1.00 25.00 H new ATOM 0 HD22 LEU B 15 6.108 -3.554 -13.381 1.00 25.00 H new ATOM 0 HD23 LEU B 15 4.953 -2.459 -14.177 1.00 25.00 H new ATOM 553 N TYR B 16 3.836 -6.493 -15.810 1.00 25.00 N ATOM 554 CA TYR B 16 4.574 -7.257 -16.840 1.00 25.00 C ATOM 555 C TYR B 16 4.324 -6.754 -18.268 1.00 25.00 C ATOM 556 O TYR B 16 5.228 -6.578 -19.045 1.00 25.00 O ATOM 557 CB TYR B 16 4.143 -8.730 -16.750 1.00 25.00 C ATOM 558 CG TYR B 16 4.971 -9.618 -17.623 1.00 25.00 C ATOM 559 CD1 TYR B 16 6.344 -9.782 -17.393 1.00 25.00 C ATOM 560 CD2 TYR B 16 4.371 -10.318 -18.709 1.00 25.00 C ATOM 561 CE1 TYR B 16 7.129 -10.603 -18.206 1.00 25.00 C ATOM 562 CE2 TYR B 16 5.161 -11.150 -19.548 1.00 25.00 C ATOM 563 CZ TYR B 16 6.543 -11.305 -19.259 1.00 25.00 C ATOM 564 OH TYR B 16 7.319 -12.124 -20.030 1.00 25.00 O ATOM 0 H TYR B 16 3.180 -7.045 -15.257 1.00 25.00 H new ATOM 0 HA TYR B 16 5.638 -7.128 -16.641 1.00 25.00 H new ATOM 0 HB2 TYR B 16 4.220 -9.066 -15.716 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.095 -8.818 -17.036 1.00 25.00 H new ATOM 0 HD1 TYR B 16 6.806 -9.261 -16.567 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.312 -10.216 -18.895 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.189 -10.694 -18.019 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.717 -11.657 -20.392 1.00 25.00 H new ATOM 0 HH TYR B 16 6.765 -12.543 -20.721 1.00 25.00 H new ATOM 574 N LEU B 17 3.078 -6.443 -18.589 1.00 25.00 N ATOM 575 CA LEU B 17 2.735 -5.901 -19.926 1.00 25.00 C ATOM 576 C LEU B 17 3.388 -4.570 -20.191 1.00 25.00 C ATOM 577 O LEU B 17 3.913 -4.324 -21.282 1.00 25.00 O ATOM 578 CB LEU B 17 1.208 -5.709 -20.031 1.00 25.00 C ATOM 579 CG LEU B 17 0.407 -6.987 -20.243 1.00 25.00 C ATOM 580 CD1 LEU B 17 -1.086 -6.708 -19.942 1.00 25.00 C ATOM 581 CD2 LEU B 17 0.603 -7.484 -21.674 1.00 25.00 C ATOM 0 H LEU B 17 2.283 -6.550 -17.959 1.00 25.00 H new ATOM 0 HA LEU B 17 3.098 -6.619 -20.661 1.00 25.00 H new ATOM 0 HB2 LEU B 17 0.855 -5.225 -19.120 1.00 25.00 H new ATOM 0 HB3 LEU B 17 0.999 -5.027 -20.856 1.00 25.00 H new ATOM 0 HG LEU B 17 0.755 -7.766 -19.565 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.664 -7.620 -20.092 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.193 -6.376 -18.909 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.453 -5.931 -20.612 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.029 -8.398 -21.823 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.260 -6.722 -22.374 1.00 25.00 H new ATOM 0 HD23 LEU B 17 1.660 -7.687 -21.847 1.00 25.00 H new ATOM 593 N VAL B 18 3.409 -3.732 -19.185 1.00 25.00 N ATOM 594 CA VAL B 18 4.065 -2.416 -19.258 1.00 25.00 C ATOM 595 C VAL B 18 5.601 -2.545 -19.465 1.00 25.00 C ATOM 596 O VAL B 18 6.198 -1.797 -20.238 1.00 25.00 O ATOM 597 CB VAL B 18 3.706 -1.625 -17.917 1.00 25.00 C ATOM 598 CG1 VAL B 18 4.588 -0.421 -17.679 1.00 25.00 C ATOM 599 CG2 VAL B 18 2.199 -1.145 -17.912 1.00 25.00 C ATOM 0 H VAL B 18 2.975 -3.928 -18.283 1.00 25.00 H new ATOM 0 HA VAL B 18 3.701 -1.864 -20.124 1.00 25.00 H new ATOM 0 HB VAL B 18 3.877 -2.341 -17.113 1.00 25.00 H new ATOM 0 HG11 VAL B 18 4.291 0.070 -16.752 1.00 25.00 H new ATOM 0 HG12 VAL B 18 5.627 -0.741 -17.603 1.00 25.00 H new ATOM 0 HG13 VAL B 18 4.483 0.277 -18.510 1.00 25.00 H new ATOM 0 HG21 VAL B 18 1.990 -0.611 -16.985 1.00 25.00 H new ATOM 0 HG22 VAL B 18 2.025 -0.482 -18.760 1.00 25.00 H new ATOM 0 HG23 VAL B 18 1.541 -2.011 -17.988 1.00 25.00 H new ATOM 609 N CYS B 19 6.235 -3.463 -18.730 1.00 25.00 N ATOM 610 CA CYS B 19 7.688 -3.645 -18.750 1.00 25.00 C ATOM 611 C CYS B 19 8.177 -4.544 -19.838 1.00 25.00 C ATOM 612 O CYS B 19 9.419 -4.705 -20.047 1.00 25.00 O ATOM 613 CB CYS B 19 8.112 -4.269 -17.433 1.00 25.00 C ATOM 614 SG CYS B 19 7.767 -3.202 -16.013 1.00 25.00 S ATOM 0 H CYS B 19 5.751 -4.104 -18.101 1.00 25.00 H new ATOM 0 HA CYS B 19 8.116 -2.657 -18.920 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.595 -5.219 -17.303 1.00 25.00 H new ATOM 0 HB3 CYS B 19 9.179 -4.489 -17.466 1.00 25.00 H new ATOM 619 N GLY B 20 7.222 -5.215 -20.519 1.00 25.00 N ATOM 620 CA GLY B 20 7.576 -6.187 -21.505 1.00 25.00 C ATOM 621 C GLY B 20 8.160 -7.401 -20.822 1.00 25.00 C ATOM 622 O GLY B 20 7.945 -7.649 -19.654 1.00 25.00 O ATOM 0 H GLY B 20 6.219 -5.084 -20.386 1.00 25.00 H new ATOM 0 HA2 GLY B 20 6.698 -6.469 -22.086 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.299 -5.766 -22.204 1.00 25.00 H new ATOM 626 N GLU B 21 8.923 -8.176 -21.551 1.00 25.00 N ATOM 627 CA GLU B 21 9.545 -9.390 -20.957 1.00 25.00 C ATOM 628 C GLU B 21 10.797 -9.066 -20.118 1.00 25.00 C ATOM 629 O GLU B 21 11.440 -9.985 -19.641 1.00 25.00 O ATOM 630 CB GLU B 21 9.866 -10.422 -22.041 1.00 25.00 C ATOM 631 CG GLU B 21 8.658 -10.949 -22.757 1.00 25.00 C ATOM 632 CD GLU B 21 8.986 -12.125 -23.661 1.00 25.00 C ATOM 633 OE1 GLU B 21 9.458 -12.014 -24.746 1.00 25.00 O ATOM 634 OE2 GLU B 21 8.642 -13.263 -23.198 1.00 25.00 O ATOM 0 H GLU B 21 9.140 -8.016 -22.535 1.00 25.00 H new ATOM 0 HA GLU B 21 8.812 -9.817 -20.273 1.00 25.00 H new ATOM 0 HB2 GLU B 21 10.540 -9.971 -22.770 1.00 25.00 H new ATOM 0 HB3 GLU B 21 10.400 -11.257 -21.587 1.00 25.00 H new ATOM 0 HG2 GLU B 21 7.910 -11.255 -22.025 1.00 25.00 H new ATOM 0 HG3 GLU B 21 8.214 -10.150 -23.351 1.00 25.00 H new ATOM 642 N ARG B 22 11.102 -7.788 -19.903 1.00 25.00 N ATOM 643 CA ARG B 22 12.302 -7.401 -19.127 1.00 25.00 C ATOM 644 C ARG B 22 12.050 -7.540 -17.631 1.00 25.00 C ATOM 645 O ARG B 22 12.965 -7.781 -16.857 1.00 25.00 O ATOM 646 CB ARG B 22 12.671 -5.921 -19.422 1.00 25.00 C ATOM 647 CG ARG B 22 13.308 -5.665 -20.820 1.00 25.00 C ATOM 648 CD ARG B 22 12.310 -5.013 -21.848 1.00 25.00 C ATOM 649 NE ARG B 22 11.995 -3.630 -21.464 1.00 25.00 N ATOM 650 CZ ARG B 22 11.056 -2.854 -21.989 1.00 25.00 C ATOM 651 NH1 ARG B 22 10.302 -3.222 -23.005 1.00 25.00 N ATOM 652 NH2 ARG B 22 10.900 -1.659 -21.500 1.00 25.00 N ATOM 0 H ARG B 22 10.549 -7.003 -20.246 1.00 25.00 H new ATOM 0 HA ARG B 22 13.116 -8.063 -19.422 1.00 25.00 H new ATOM 0 HB2 ARG B 22 11.770 -5.314 -19.334 1.00 25.00 H new ATOM 0 HB3 ARG B 22 13.365 -5.576 -18.655 1.00 25.00 H new ATOM 0 HG2 ARG B 22 14.175 -5.015 -20.703 1.00 25.00 H new ATOM 0 HG3 ARG B 22 13.671 -6.610 -21.225 1.00 25.00 H new ATOM 0 HD2 ARG B 22 12.748 -5.027 -22.846 1.00 25.00 H new ATOM 0 HD3 ARG B 22 11.393 -5.600 -21.894 1.00 25.00 H new ATOM 0 HE ARG B 22 12.557 -3.224 -20.716 1.00 25.00 H new ATOM 0 HH11 ARG B 22 10.427 -4.143 -23.426 1.00 25.00 H new ATOM 0 HH12 ARG B 22 9.593 -2.586 -23.371 1.00 25.00 H new ATOM 0 HH21 ARG B 22 11.492 -1.341 -20.733 1.00 25.00 H new ATOM 0 HH22 ARG B 22 10.186 -1.040 -21.884 1.00 25.00 H new ATOM 666 N GLY B 23 10.804 -7.420 -17.225 1.00 25.00 N ATOM 667 CA GLY B 23 10.484 -7.490 -15.777 1.00 25.00 C ATOM 668 C GLY B 23 10.646 -6.180 -15.030 1.00 25.00 C ATOM 669 O GLY B 23 10.801 -5.121 -15.618 1.00 25.00 O ATOM 0 H GLY B 23 10.003 -7.277 -17.840 1.00 25.00 H new ATOM 0 HA2 GLY B 23 9.456 -7.834 -15.662 1.00 25.00 H new ATOM 0 HA3 GLY B 23 11.125 -8.239 -15.313 1.00 25.00 H new ATOM 673 N PHE B 24 10.435 -6.275 -13.706 1.00 25.00 N ATOM 674 CA PHE B 24 10.396 -5.123 -12.782 1.00 25.00 C ATOM 675 C PHE B 24 11.049 -5.404 -11.418 1.00 25.00 C ATOM 676 O PHE B 24 10.864 -4.663 -10.432 1.00 25.00 O ATOM 677 CB PHE B 24 8.947 -4.714 -12.631 1.00 25.00 C ATOM 678 CG PHE B 24 8.012 -5.852 -12.314 1.00 25.00 C ATOM 679 CD1 PHE B 24 7.897 -6.311 -10.982 1.00 25.00 C ATOM 680 CD2 PHE B 24 7.228 -6.467 -13.324 1.00 25.00 C ATOM 681 CE1 PHE B 24 7.047 -7.391 -10.655 1.00 25.00 C ATOM 682 CE2 PHE B 24 6.368 -7.551 -13.023 1.00 25.00 C ATOM 683 CZ PHE B 24 6.287 -8.033 -11.680 1.00 25.00 C ATOM 0 H PHE B 24 10.284 -7.168 -13.238 1.00 25.00 H new ATOM 0 HA PHE B 24 10.989 -4.312 -13.205 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.873 -3.967 -11.841 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.619 -4.235 -13.554 1.00 25.00 H new ATOM 0 HD1 PHE B 24 8.468 -5.829 -10.202 1.00 25.00 H new ATOM 0 HD2 PHE B 24 7.288 -6.102 -14.339 1.00 25.00 H new ATOM 0 HE1 PHE B 24 6.972 -7.730 -9.632 1.00 25.00 H new ATOM 0 HE2 PHE B 24 5.778 -8.010 -13.802 1.00 25.00 H new ATOM 0 HZ PHE B 24 5.656 -8.876 -11.442 1.00 25.00 H new ATOM 693 N PHE B 25 11.847 -6.463 -11.348 1.00 25.00 N ATOM 694 CA PHE B 25 12.425 -6.878 -10.064 1.00 25.00 C ATOM 695 C PHE B 25 13.775 -6.242 -9.774 1.00 25.00 C ATOM 696 O PHE B 25 14.648 -6.221 -10.622 1.00 25.00 O ATOM 697 CB PHE B 25 12.542 -8.410 -10.049 1.00 25.00 C ATOM 698 CG PHE B 25 11.194 -9.127 -10.323 1.00 25.00 C ATOM 699 CD1 PHE B 25 10.279 -9.383 -9.236 1.00 25.00 C ATOM 700 CD2 PHE B 25 10.779 -9.488 -11.649 1.00 25.00 C ATOM 701 CE1 PHE B 25 9.050 -10.000 -9.492 1.00 25.00 C ATOM 702 CE2 PHE B 25 9.532 -10.086 -11.866 1.00 25.00 C ATOM 703 CZ PHE B 25 8.692 -10.358 -10.790 1.00 25.00 C ATOM 0 H PHE B 25 12.108 -7.044 -12.145 1.00 25.00 H new ATOM 0 HA PHE B 25 11.757 -6.532 -9.275 1.00 25.00 H new ATOM 0 HB2 PHE B 25 13.270 -8.720 -10.798 1.00 25.00 H new ATOM 0 HB3 PHE B 25 12.926 -8.729 -9.080 1.00 25.00 H new ATOM 0 HD1 PHE B 25 10.543 -9.099 -8.228 1.00 25.00 H new ATOM 0 HD2 PHE B 25 11.434 -9.297 -12.486 1.00 25.00 H new ATOM 0 HE1 PHE B 25 8.372 -10.201 -8.676 1.00 25.00 H new ATOM 0 HE2 PHE B 25 9.221 -10.337 -12.870 1.00 25.00 H new ATOM 0 HZ PHE B 25 7.749 -10.854 -10.964 1.00 25.00 H new ATOM 713 N TYR B 26 13.953 -5.825 -8.523 1.00 25.00 N ATOM 714 CA TYR B 26 15.262 -5.446 -8.047 1.00 25.00 C ATOM 715 C TYR B 26 15.988 -6.758 -7.780 1.00 25.00 C ATOM 716 O TYR B 26 17.053 -7.005 -8.304 1.00 25.00 O ATOM 717 CB TYR B 26 15.093 -4.669 -6.740 1.00 25.00 C ATOM 718 CG TYR B 26 16.387 -4.480 -5.963 1.00 25.00 C ATOM 719 CD1 TYR B 26 17.470 -3.762 -6.555 1.00 25.00 C ATOM 720 CD2 TYR B 26 16.558 -5.037 -4.680 1.00 25.00 C ATOM 721 CE1 TYR B 26 18.695 -3.615 -5.864 1.00 25.00 C ATOM 722 CE2 TYR B 26 17.800 -4.911 -3.984 1.00 25.00 C ATOM 723 CZ TYR B 26 18.841 -4.189 -4.607 1.00 25.00 C ATOM 724 OH TYR B 26 20.037 -4.040 -3.936 1.00 25.00 O ATOM 0 H TYR B 26 13.207 -5.744 -7.832 1.00 25.00 H new ATOM 0 HA TYR B 26 15.809 -4.823 -8.755 1.00 25.00 H new ATOM 0 HB2 TYR B 26 14.668 -3.690 -6.963 1.00 25.00 H new ATOM 0 HB3 TYR B 26 14.375 -5.192 -6.108 1.00 25.00 H new ATOM 0 HD1 TYR B 26 17.353 -3.328 -7.537 1.00 25.00 H new ATOM 0 HD2 TYR B 26 15.739 -5.567 -4.216 1.00 25.00 H new ATOM 0 HE1 TYR B 26 19.509 -3.062 -6.309 1.00 25.00 H new ATOM 0 HE2 TYR B 26 17.938 -5.355 -3.009 1.00 25.00 H new ATOM 0 HH TYR B 26 19.985 -4.496 -3.070 1.00 25.00 H new ATOM 734 N THR B 27 15.304 -7.646 -7.074 1.00 25.00 N ATOM 735 CA THR B 27 15.766 -9.003 -6.891 1.00 25.00 C ATOM 736 C THR B 27 14.563 -9.919 -6.859 1.00 25.00 C ATOM 737 O THR B 27 13.561 -9.596 -6.266 1.00 25.00 O ATOM 738 CB THR B 27 16.558 -9.173 -5.553 1.00 25.00 C ATOM 739 OG1 THR B 27 15.751 -8.708 -4.446 1.00 25.00 O ATOM 740 CG2 THR B 27 17.844 -8.344 -5.556 1.00 25.00 C ATOM 0 H THR B 27 14.416 -7.442 -6.615 1.00 25.00 H new ATOM 0 HA THR B 27 16.435 -9.250 -7.715 1.00 25.00 H new ATOM 0 HB THR B 27 16.801 -10.231 -5.453 1.00 25.00 H new ATOM 0 HG1 THR B 27 16.249 -8.817 -3.609 1.00 25.00 H new ATOM 0 HG21 THR B 27 18.370 -8.485 -4.612 1.00 25.00 H new ATOM 0 HG22 THR B 27 18.482 -8.666 -6.379 1.00 25.00 H new ATOM 0 HG23 THR B 27 17.597 -7.290 -5.680 1.00 25.00 H new ATOM 748 N LYS B 28 14.690 -11.106 -7.437 1.00 25.00 N ATOM 749 CA LYS B 28 13.630 -12.099 -7.330 1.00 25.00 C ATOM 750 C LYS B 28 13.933 -12.791 -6.000 1.00 25.00 C ATOM 751 O LYS B 28 15.003 -13.382 -5.883 1.00 25.00 O ATOM 752 CB LYS B 28 13.736 -13.084 -8.491 1.00 25.00 C ATOM 753 CG LYS B 28 12.408 -13.572 -9.075 1.00 25.00 C ATOM 754 CD LYS B 28 11.673 -14.595 -8.112 1.00 25.00 C ATOM 755 CE LYS B 28 10.495 -15.216 -8.812 1.00 25.00 C ATOM 756 NZ LYS B 28 9.535 -14.215 -9.415 1.00 25.00 N ATOM 0 H LYS B 28 15.503 -11.402 -7.977 1.00 25.00 H new ATOM 0 HA LYS B 28 12.625 -11.679 -7.366 1.00 25.00 H new ATOM 0 HB2 LYS B 28 14.311 -12.615 -9.289 1.00 25.00 H new ATOM 0 HB3 LYS B 28 14.304 -13.952 -8.156 1.00 25.00 H new ATOM 0 HG2 LYS B 28 11.758 -12.717 -9.259 1.00 25.00 H new ATOM 0 HG3 LYS B 28 12.589 -14.048 -10.039 1.00 25.00 H new ATOM 0 HD2 LYS B 28 12.369 -15.373 -7.797 1.00 25.00 H new ATOM 0 HD3 LYS B 28 11.340 -14.081 -7.210 1.00 25.00 H new ATOM 0 HE2 LYS B 28 10.860 -15.873 -9.601 1.00 25.00 H new ATOM 0 HE3 LYS B 28 9.953 -15.841 -8.102 1.00 25.00 H new ATOM 0 HZ1 LYS B 28 8.680 -14.708 -9.743 1.00 25.00 H new ATOM 0 HZ2 LYS B 28 9.274 -13.509 -8.698 1.00 25.00 H new ATOM 0 HZ3 LYS B 28 9.990 -13.739 -10.220 1.00 25.00 H new ATOM 770 N PRO B 29 13.052 -12.681 -4.996 1.00 25.00 N ATOM 771 CA PRO B 29 13.409 -13.279 -3.701 1.00 25.00 C ATOM 772 C PRO B 29 13.690 -14.804 -3.767 1.00 25.00 C ATOM 773 O PRO B 29 12.857 -15.569 -4.148 1.00 25.00 O ATOM 774 CB PRO B 29 12.180 -12.979 -2.812 1.00 25.00 C ATOM 775 CG PRO B 29 11.425 -11.836 -3.506 1.00 25.00 C ATOM 776 CD PRO B 29 11.705 -12.067 -4.978 1.00 25.00 C ATOM 0 HA PRO B 29 14.342 -12.863 -3.322 1.00 25.00 H new ATOM 0 HB2 PRO B 29 11.547 -13.860 -2.711 1.00 25.00 H new ATOM 0 HB3 PRO B 29 12.487 -12.690 -1.807 1.00 25.00 H new ATOM 0 HG2 PRO B 29 10.357 -11.872 -3.290 1.00 25.00 H new ATOM 0 HG3 PRO B 29 11.784 -10.861 -3.178 1.00 25.00 H new ATOM 0 HD2 PRO B 29 10.961 -12.725 -5.427 1.00 25.00 H new ATOM 0 HD3 PRO B 29 11.685 -11.133 -5.539 1.00 25.00 H new ATOM 784 N THR B 30 14.915 -15.175 -3.482 1.00 25.00 N ATOM 785 CA THR B 30 15.371 -16.559 -3.550 1.00 25.00 C ATOM 786 C THR B 30 16.556 -16.766 -2.631 1.00 25.00 C ATOM 787 O THR B 30 17.310 -15.867 -2.313 1.00 25.00 O ATOM 788 CB THR B 30 15.734 -16.991 -4.960 1.00 25.00 C ATOM 789 OG1 THR B 30 15.982 -18.378 -4.969 1.00 25.00 O ATOM 790 CG2 THR B 30 16.987 -16.298 -5.505 1.00 25.00 C ATOM 791 OXT THR B 30 16.685 -17.973 -2.154 1.00 25.00 O ATOM 0 H THR B 30 15.641 -14.520 -3.191 1.00 25.00 H new ATOM 0 HA THR B 30 14.536 -17.180 -3.226 1.00 25.00 H new ATOM 0 HB THR B 30 14.891 -16.714 -5.593 1.00 25.00 H new ATOM 0 HG1 THR B 30 16.215 -18.663 -5.877 1.00 25.00 H new ATOM 0 HG21 THR B 30 17.189 -16.653 -6.516 1.00 25.00 H new ATOM 0 HG22 THR B 30 16.827 -15.220 -5.524 1.00 25.00 H new ATOM 0 HG23 THR B 30 17.838 -16.527 -4.863 1.00 25.00 H new TER 800 THR B 30