USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 382 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 Single : A 1 GLY N :NH3+ -165:sc= 0.00316 (180deg=0) USER MOD Single : A 5 GLN : amide:sc=-0.00555 K(o=-0.0056,f=-1.1) USER MOD Single : A 8 THR OG1 : rot -72:sc= 0.619 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 X(o=0,f=-0.32) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0454 K(o=-0.045,f=-1.7!) USER MOD Single : B 33 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.3) USER MOD Single : B 34 GLN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : B 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 160:sc= -0.063 (180deg=-0.425) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0.0619 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.472 1.312 -0.528 1.00 25.00 N ATOM 2 CA GLY A 1 3.538 0.702 0.295 1.00 25.00 C ATOM 3 C GLY A 1 4.208 -0.556 -0.255 1.00 25.00 C ATOM 4 O GLY A 1 3.595 -1.423 -0.849 1.00 25.00 O ATOM 0 H1 GLY A 1 2.278 2.275 -0.186 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.780 1.352 -1.521 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.607 0.738 -0.457 1.00 25.00 H new ATOM 0 HA2 GLY A 1 4.311 1.453 0.458 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.116 0.461 1.271 1.00 25.00 H new ATOM 9 N ILE A 2 5.486 -0.722 0.101 1.00 25.00 N ATOM 10 CA ILE A 2 6.328 -1.839 -0.346 1.00 25.00 C ATOM 11 C ILE A 2 5.775 -3.200 0.031 1.00 25.00 C ATOM 12 O ILE A 2 5.903 -4.133 -0.773 1.00 25.00 O ATOM 13 CB ILE A 2 7.786 -1.684 0.203 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.706 -2.767 -0.421 1.00 25.00 C ATOM 15 CG2 ILE A 2 7.788 -1.751 1.783 1.00 25.00 C ATOM 16 CD1 ILE A 2 10.174 -2.773 0.058 1.00 25.00 C ATOM 0 H ILE A 2 5.974 -0.073 0.719 1.00 25.00 H new ATOM 0 HA ILE A 2 6.336 -1.794 -1.435 1.00 25.00 H new ATOM 0 HB ILE A 2 8.178 -0.708 -0.083 1.00 25.00 H new ATOM 0 HG12 ILE A 2 8.274 -3.746 -0.212 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.699 -2.640 -1.504 1.00 25.00 H new ATOM 0 HG21 ILE A 2 8.808 -1.642 2.151 1.00 25.00 H new ATOM 0 HG22 ILE A 2 7.171 -0.946 2.182 1.00 25.00 H new ATOM 0 HG23 ILE A 2 7.386 -2.711 2.107 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.718 -3.572 -0.446 1.00 25.00 H new ATOM 0 HD12 ILE A 2 10.637 -1.814 -0.176 1.00 25.00 H new ATOM 0 HD13 ILE A 2 10.205 -2.937 1.135 1.00 25.00 H new ATOM 28 N VAL A 3 5.146 -3.339 1.190 1.00 25.00 N ATOM 29 CA VAL A 3 4.598 -4.637 1.558 1.00 25.00 C ATOM 30 C VAL A 3 3.408 -5.033 0.638 1.00 25.00 C ATOM 31 O VAL A 3 3.417 -6.124 0.042 1.00 25.00 O ATOM 32 CB VAL A 3 4.176 -4.638 3.026 1.00 25.00 C ATOM 33 CG1 VAL A 3 3.586 -5.999 3.373 1.00 25.00 C ATOM 34 CG2 VAL A 3 5.349 -4.323 3.938 1.00 25.00 C ATOM 0 H VAL A 3 5.005 -2.595 1.873 1.00 25.00 H new ATOM 0 HA VAL A 3 5.379 -5.384 1.421 1.00 25.00 H new ATOM 0 HB VAL A 3 3.426 -3.861 3.177 1.00 25.00 H new ATOM 0 HG11 VAL A 3 3.282 -6.008 4.420 1.00 25.00 H new ATOM 0 HG12 VAL A 3 2.718 -6.191 2.742 1.00 25.00 H new ATOM 0 HG13 VAL A 3 4.335 -6.773 3.206 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.016 -4.331 4.976 1.00 25.00 H new ATOM 0 HG22 VAL A 3 6.128 -5.073 3.801 1.00 25.00 H new ATOM 0 HG23 VAL A 3 5.746 -3.338 3.693 1.00 25.00 H new ATOM 44 N GLU A 4 2.416 -4.185 0.490 1.00 25.00 N ATOM 45 CA GLU A 4 1.215 -4.503 -0.362 1.00 25.00 C ATOM 46 C GLU A 4 1.599 -4.573 -1.833 1.00 25.00 C ATOM 47 O GLU A 4 0.967 -5.268 -2.573 1.00 25.00 O ATOM 48 CB GLU A 4 0.066 -3.487 -0.123 1.00 25.00 C ATOM 49 CG GLU A 4 0.304 -2.048 -0.672 1.00 25.00 C ATOM 50 CD GLU A 4 -0.864 -1.132 -0.488 1.00 25.00 C ATOM 51 OE1 GLU A 4 -1.871 -1.437 -0.012 1.00 25.00 O ATOM 52 OE2 GLU A 4 -0.629 0.079 -0.870 1.00 25.00 O ATOM 0 H GLU A 4 2.385 -3.266 0.932 1.00 25.00 H new ATOM 0 HA GLU A 4 0.845 -5.485 -0.066 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.843 -3.882 -0.577 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.116 -3.420 0.950 1.00 25.00 H new ATOM 0 HG2 GLU A 4 1.173 -1.618 -0.174 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.543 -2.109 -1.734 1.00 25.00 H new ATOM 60 N GLN A 5 2.659 -3.845 -2.220 1.00 25.00 N ATOM 61 CA GLN A 5 3.115 -3.846 -3.587 1.00 25.00 C ATOM 62 C GLN A 5 3.786 -5.174 -3.921 1.00 25.00 C ATOM 63 O GLN A 5 3.485 -5.758 -4.956 1.00 25.00 O ATOM 64 CB GLN A 5 4.044 -2.675 -3.846 1.00 25.00 C ATOM 65 CG GLN A 5 4.295 -2.429 -5.327 1.00 25.00 C ATOM 66 CD GLN A 5 4.923 -1.030 -5.574 1.00 25.00 C ATOM 67 OE1 GLN A 5 5.204 -0.290 -4.669 1.00 25.00 O ATOM 68 NE2 GLN A 5 5.112 -0.684 -6.796 1.00 25.00 N ATOM 0 H GLN A 5 3.205 -3.254 -1.593 1.00 25.00 H new ATOM 0 HA GLN A 5 2.252 -3.731 -4.242 1.00 25.00 H new ATOM 0 HB2 GLN A 5 3.618 -1.776 -3.401 1.00 25.00 H new ATOM 0 HB3 GLN A 5 4.996 -2.857 -3.347 1.00 25.00 H new ATOM 0 HG2 GLN A 5 4.958 -3.201 -5.718 1.00 25.00 H new ATOM 0 HG3 GLN A 5 3.356 -2.509 -5.874 1.00 25.00 H new ATOM 0 HE21 GLN A 5 4.868 -1.325 -7.551 1.00 25.00 H new ATOM 0 HE22 GLN A 5 5.506 0.232 -7.012 1.00 25.00 H new ATOM 77 N CYS A 6 4.680 -5.627 -3.062 1.00 25.00 N ATOM 78 CA CYS A 6 5.413 -6.849 -3.330 1.00 25.00 C ATOM 79 C CYS A 6 4.682 -8.126 -2.991 1.00 25.00 C ATOM 80 O CYS A 6 5.100 -9.219 -3.458 1.00 25.00 O ATOM 81 CB CYS A 6 6.725 -6.875 -2.534 1.00 25.00 C ATOM 82 SG CYS A 6 7.916 -5.615 -3.071 1.00 25.00 S ATOM 0 H CYS A 6 4.915 -5.171 -2.180 1.00 25.00 H new ATOM 0 HA CYS A 6 5.570 -6.826 -4.408 1.00 25.00 H new ATOM 0 HB2 CYS A 6 6.503 -6.728 -1.477 1.00 25.00 H new ATOM 0 HB3 CYS A 6 7.181 -7.860 -2.630 1.00 25.00 H new ATOM 87 N CYS A 7 3.645 -8.051 -2.160 1.00 25.00 N ATOM 88 CA CYS A 7 2.901 -9.232 -1.732 1.00 25.00 C ATOM 89 C CYS A 7 1.766 -9.561 -2.689 1.00 25.00 C ATOM 90 O CYS A 7 0.639 -9.865 -2.285 1.00 25.00 O ATOM 91 CB CYS A 7 2.360 -8.974 -0.302 1.00 25.00 C ATOM 92 SG CYS A 7 1.780 -10.477 0.587 1.00 25.00 S ATOM 0 H CYS A 7 3.299 -7.176 -1.767 1.00 25.00 H new ATOM 0 HA CYS A 7 3.567 -10.095 -1.732 1.00 25.00 H new ATOM 0 HB2 CYS A 7 3.145 -8.500 0.288 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.535 -8.264 -0.363 1.00 25.00 H new ATOM 97 N THR A 8 2.064 -9.412 -3.923 1.00 25.00 N ATOM 98 CA THR A 8 1.127 -9.713 -4.997 1.00 25.00 C ATOM 99 C THR A 8 1.877 -10.542 -6.055 1.00 25.00 C ATOM 100 O THR A 8 2.022 -11.778 -5.879 1.00 25.00 O ATOM 101 CB THR A 8 0.503 -8.445 -5.558 1.00 25.00 C ATOM 102 OG1 THR A 8 1.555 -7.501 -5.901 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.400 -7.823 -4.537 1.00 25.00 C ATOM 0 H THR A 8 2.971 -9.075 -4.246 1.00 25.00 H new ATOM 0 HA THR A 8 0.287 -10.299 -4.625 1.00 25.00 H new ATOM 0 HB THR A 8 -0.076 -8.696 -6.447 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.949 -7.138 -5.080 1.00 25.00 H new ATOM 0 HG21 THR A 8 -0.843 -6.915 -4.947 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.191 -8.526 -4.274 1.00 25.00 H new ATOM 0 HG23 THR A 8 0.176 -7.575 -3.645 1.00 25.00 H new ATOM 111 N SER A 9 2.462 -9.876 -7.028 1.00 25.00 N ATOM 112 CA SER A 9 3.448 -10.470 -7.922 1.00 25.00 C ATOM 113 C SER A 9 4.754 -10.447 -7.195 1.00 25.00 C ATOM 114 O SER A 9 4.974 -9.553 -6.416 1.00 25.00 O ATOM 115 CB SER A 9 3.521 -9.701 -9.221 1.00 25.00 C ATOM 116 OG SER A 9 4.383 -10.341 -10.138 1.00 25.00 O ATOM 0 H SER A 9 2.268 -8.895 -7.227 1.00 25.00 H new ATOM 0 HA SER A 9 3.179 -11.493 -8.186 1.00 25.00 H new ATOM 0 HB2 SER A 9 2.524 -9.614 -9.653 1.00 25.00 H new ATOM 0 HB3 SER A 9 3.875 -8.688 -9.029 1.00 25.00 H new ATOM 0 HG SER A 9 4.414 -9.827 -10.972 1.00 25.00 H new ATOM 122 N ILE A 10 5.642 -11.407 -7.430 1.00 25.00 N ATOM 123 CA ILE A 10 6.908 -11.421 -6.697 1.00 25.00 C ATOM 124 C ILE A 10 7.744 -10.218 -7.114 1.00 25.00 C ATOM 125 O ILE A 10 8.079 -10.060 -8.321 1.00 25.00 O ATOM 126 CB ILE A 10 7.735 -12.721 -6.979 1.00 25.00 C ATOM 127 CG1 ILE A 10 6.965 -13.987 -6.505 1.00 25.00 C ATOM 128 CG2 ILE A 10 9.120 -12.630 -6.186 1.00 25.00 C ATOM 129 CD1 ILE A 10 7.581 -15.399 -6.953 1.00 25.00 C ATOM 0 H ILE A 10 5.518 -12.165 -8.101 1.00 25.00 H new ATOM 0 HA ILE A 10 6.672 -11.387 -5.633 1.00 25.00 H new ATOM 0 HB ILE A 10 7.906 -12.801 -8.052 1.00 25.00 H new ATOM 0 HG12 ILE A 10 6.910 -13.967 -5.417 1.00 25.00 H new ATOM 0 HG13 ILE A 10 5.942 -13.926 -6.877 1.00 25.00 H new ATOM 0 HG21 ILE A 10 9.706 -13.529 -6.373 1.00 25.00 H new ATOM 0 HG22 ILE A 10 9.677 -11.757 -6.525 1.00 25.00 H new ATOM 0 HG23 ILE A 10 8.922 -12.542 -5.118 1.00 25.00 H new ATOM 0 HD11 ILE A 10 6.960 -16.206 -6.565 1.00 25.00 H new ATOM 0 HD12 ILE A 10 7.610 -15.455 -8.041 1.00 25.00 H new ATOM 0 HD13 ILE A 10 8.592 -15.497 -6.558 1.00 25.00 H new ATOM 141 N CYS A 11 8.104 -9.377 -6.150 1.00 25.00 N ATOM 142 CA CYS A 11 9.082 -8.306 -6.402 1.00 25.00 C ATOM 143 C CYS A 11 10.454 -8.977 -6.742 1.00 25.00 C ATOM 144 O CYS A 11 11.073 -9.656 -5.889 1.00 25.00 O ATOM 145 CB CYS A 11 9.261 -7.441 -5.170 1.00 25.00 C ATOM 146 SG CYS A 11 8.102 -6.036 -5.031 1.00 25.00 S ATOM 0 H CYS A 11 7.743 -9.408 -5.197 1.00 25.00 H new ATOM 0 HA CYS A 11 8.729 -7.680 -7.221 1.00 25.00 H new ATOM 0 HB2 CYS A 11 9.153 -8.069 -4.286 1.00 25.00 H new ATOM 0 HB3 CYS A 11 10.280 -7.053 -5.163 1.00 25.00 H new ATOM 151 N SER A 12 10.943 -8.761 -7.958 1.00 25.00 N ATOM 152 CA SER A 12 12.238 -9.276 -8.328 1.00 25.00 C ATOM 153 C SER A 12 13.284 -8.602 -7.459 1.00 25.00 C ATOM 154 O SER A 12 13.127 -7.452 -7.041 1.00 25.00 O ATOM 155 CB SER A 12 12.510 -9.013 -9.805 1.00 25.00 C ATOM 156 OG SER A 12 11.483 -9.626 -10.566 1.00 25.00 O ATOM 0 H SER A 12 10.462 -8.238 -8.690 1.00 25.00 H new ATOM 0 HA SER A 12 12.272 -10.354 -8.173 1.00 25.00 H new ATOM 0 HB2 SER A 12 12.538 -7.941 -10.000 1.00 25.00 H new ATOM 0 HB3 SER A 12 13.483 -9.414 -10.089 1.00 25.00 H new ATOM 0 HG SER A 12 11.642 -9.465 -11.520 1.00 25.00 H new ATOM 162 N LEU A 13 14.376 -9.270 -7.163 1.00 25.00 N ATOM 163 CA LEU A 13 15.358 -8.707 -6.251 1.00 25.00 C ATOM 164 C LEU A 13 16.032 -7.446 -6.836 1.00 25.00 C ATOM 165 O LEU A 13 16.445 -6.567 -6.092 1.00 25.00 O ATOM 166 CB LEU A 13 16.350 -9.769 -5.785 1.00 25.00 C ATOM 167 CG LEU A 13 17.333 -10.319 -6.787 1.00 25.00 C ATOM 168 CD1 LEU A 13 18.722 -10.290 -6.136 1.00 25.00 C ATOM 169 CD2 LEU A 13 16.942 -11.705 -7.214 1.00 25.00 C ATOM 0 H LEU A 13 14.609 -10.192 -7.532 1.00 25.00 H new ATOM 0 HA LEU A 13 14.834 -8.367 -5.358 1.00 25.00 H new ATOM 0 HB2 LEU A 13 16.920 -9.350 -4.956 1.00 25.00 H new ATOM 0 HB3 LEU A 13 15.777 -10.607 -5.387 1.00 25.00 H new ATOM 0 HG LEU A 13 17.341 -9.712 -7.693 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.460 -10.682 -6.836 1.00 25.00 H new ATOM 0 HD12 LEU A 13 18.980 -9.264 -5.874 1.00 25.00 H new ATOM 0 HD13 LEU A 13 18.714 -10.903 -5.235 1.00 25.00 H new ATOM 0 HD21 LEU A 13 17.666 -12.081 -7.937 1.00 25.00 H new ATOM 0 HD22 LEU A 13 16.923 -12.362 -6.344 1.00 25.00 H new ATOM 0 HD23 LEU A 13 15.953 -11.679 -7.671 1.00 25.00 H new ATOM 181 N TYR A 14 15.996 -7.341 -8.148 1.00 25.00 N ATOM 182 CA TYR A 14 16.502 -6.199 -8.871 1.00 25.00 C ATOM 183 C TYR A 14 15.644 -4.985 -8.584 1.00 25.00 C ATOM 184 O TYR A 14 16.150 -3.885 -8.466 1.00 25.00 O ATOM 185 CB TYR A 14 16.473 -6.481 -10.363 1.00 25.00 C ATOM 186 CG TYR A 14 16.883 -5.237 -11.219 1.00 25.00 C ATOM 187 CD1 TYR A 14 18.229 -4.784 -11.267 1.00 25.00 C ATOM 188 CD2 TYR A 14 15.906 -4.492 -11.950 1.00 25.00 C ATOM 189 CE1 TYR A 14 18.606 -3.650 -12.013 1.00 25.00 C ATOM 190 CE2 TYR A 14 16.298 -3.312 -12.699 1.00 25.00 C ATOM 191 CZ TYR A 14 17.663 -2.953 -12.729 1.00 25.00 C ATOM 192 OH TYR A 14 18.090 -1.882 -13.479 1.00 25.00 O ATOM 0 H TYR A 14 15.605 -8.064 -8.752 1.00 25.00 H new ATOM 0 HA TYR A 14 17.526 -6.007 -8.552 1.00 25.00 H new ATOM 0 HB2 TYR A 14 17.147 -7.308 -10.586 1.00 25.00 H new ATOM 0 HB3 TYR A 14 15.471 -6.800 -10.649 1.00 25.00 H new ATOM 0 HD1 TYR A 14 18.984 -5.324 -10.716 1.00 25.00 H new ATOM 0 HD2 TYR A 14 14.873 -4.808 -11.945 1.00 25.00 H new ATOM 0 HE1 TYR A 14 19.637 -3.328 -12.022 1.00 25.00 H new ATOM 0 HE2 TYR A 14 15.561 -2.721 -13.222 1.00 25.00 H new ATOM 0 HH TYR A 14 17.324 -1.477 -13.937 1.00 25.00 H new ATOM 202 N GLN A 15 14.354 -5.202 -8.425 1.00 25.00 N ATOM 203 CA GLN A 15 13.424 -4.097 -8.064 1.00 25.00 C ATOM 204 C GLN A 15 13.481 -3.770 -6.551 1.00 25.00 C ATOM 205 O GLN A 15 13.467 -2.610 -6.148 1.00 25.00 O ATOM 206 CB GLN A 15 12.016 -4.494 -8.447 1.00 25.00 C ATOM 207 CG GLN A 15 11.063 -3.354 -8.353 1.00 25.00 C ATOM 208 CD GLN A 15 9.724 -3.686 -8.951 1.00 25.00 C ATOM 209 OE1 GLN A 15 9.237 -4.806 -8.845 1.00 25.00 O ATOM 210 NE2 GLN A 15 9.074 -2.699 -9.520 1.00 25.00 N ATOM 0 H GLN A 15 13.909 -6.113 -8.534 1.00 25.00 H new ATOM 0 HA GLN A 15 13.728 -3.202 -8.607 1.00 25.00 H new ATOM 0 HB2 GLN A 15 12.015 -4.883 -9.465 1.00 25.00 H new ATOM 0 HB3 GLN A 15 11.679 -5.301 -7.797 1.00 25.00 H new ATOM 0 HG2 GLN A 15 10.934 -3.075 -7.307 1.00 25.00 H new ATOM 0 HG3 GLN A 15 11.483 -2.488 -8.864 1.00 25.00 H new ATOM 0 HE21 GLN A 15 9.507 -1.778 -9.593 1.00 25.00 H new ATOM 0 HE22 GLN A 15 8.136 -2.852 -9.890 1.00 25.00 H new ATOM 219 N LEU A 16 13.626 -4.814 -5.742 1.00 25.00 N ATOM 220 CA LEU A 16 13.846 -4.681 -4.311 1.00 25.00 C ATOM 221 C LEU A 16 15.141 -3.866 -3.982 1.00 25.00 C ATOM 222 O LEU A 16 15.138 -3.030 -3.072 1.00 25.00 O ATOM 223 CB LEU A 16 13.914 -6.072 -3.624 1.00 25.00 C ATOM 224 CG LEU A 16 13.850 -6.052 -2.083 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.368 -5.843 -1.596 1.00 25.00 C ATOM 226 CD2 LEU A 16 14.432 -7.260 -1.448 1.00 25.00 C ATOM 0 H LEU A 16 13.594 -5.781 -6.065 1.00 25.00 H new ATOM 0 HA LEU A 16 12.993 -4.128 -3.918 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.092 -6.683 -3.997 1.00 25.00 H new ATOM 0 HB3 LEU A 16 14.839 -6.563 -3.926 1.00 25.00 H new ATOM 0 HG LEU A 16 14.466 -5.210 -1.766 1.00 25.00 H new ATOM 0 HD11 LEU A 16 12.341 -5.831 -0.506 1.00 25.00 H new ATOM 0 HD12 LEU A 16 11.990 -4.895 -1.978 1.00 25.00 H new ATOM 0 HD13 LEU A 16 11.745 -6.658 -1.966 1.00 25.00 H new ATOM 0 HD21 LEU A 16 14.352 -7.176 -0.364 1.00 25.00 H new ATOM 0 HD22 LEU A 16 13.891 -8.144 -1.784 1.00 25.00 H new ATOM 0 HD23 LEU A 16 15.482 -7.349 -1.728 1.00 25.00 H new ATOM 238 N GLU A 17 16.155 -4.015 -4.801 1.00 25.00 N ATOM 239 CA GLU A 17 17.410 -3.253 -4.698 1.00 25.00 C ATOM 240 C GLU A 17 17.140 -1.741 -4.759 1.00 25.00 C ATOM 241 O GLU A 17 17.876 -0.967 -4.153 1.00 25.00 O ATOM 242 CB GLU A 17 18.344 -3.591 -5.848 1.00 25.00 C ATOM 243 CG GLU A 17 19.621 -4.273 -5.405 1.00 25.00 C ATOM 244 CD GLU A 17 20.583 -4.411 -6.523 1.00 25.00 C ATOM 245 OE1 GLU A 17 20.357 -5.045 -7.509 1.00 25.00 O ATOM 246 OE2 GLU A 17 21.660 -3.719 -6.365 1.00 25.00 O ATOM 0 H GLU A 17 16.146 -4.677 -5.577 1.00 25.00 H new ATOM 0 HA GLU A 17 17.865 -3.521 -3.745 1.00 25.00 H new ATOM 0 HB2 GLU A 17 17.821 -4.238 -6.553 1.00 25.00 H new ATOM 0 HB3 GLU A 17 18.597 -2.675 -6.382 1.00 25.00 H new ATOM 0 HG2 GLU A 17 20.079 -3.700 -4.599 1.00 25.00 H new ATOM 0 HG3 GLU A 17 19.387 -5.258 -5.002 1.00 25.00 H new ATOM 254 N ASN A 18 16.132 -1.327 -5.520 1.00 25.00 N ATOM 255 CA ASN A 18 15.855 0.119 -5.647 1.00 25.00 C ATOM 256 C ASN A 18 15.300 0.709 -4.325 1.00 25.00 C ATOM 257 O ASN A 18 15.451 1.889 -4.048 1.00 25.00 O ATOM 258 CB ASN A 18 14.814 0.395 -6.757 1.00 25.00 C ATOM 259 CG ASN A 18 14.758 1.880 -7.143 1.00 25.00 C ATOM 260 OD1 ASN A 18 15.740 2.574 -7.191 1.00 25.00 O ATOM 261 ND2 ASN A 18 13.561 2.362 -7.459 1.00 25.00 N ATOM 0 H ASN A 18 15.507 -1.939 -6.045 1.00 25.00 H new ATOM 0 HA ASN A 18 16.805 0.592 -5.896 1.00 25.00 H new ATOM 0 HB2 ASN A 18 15.059 -0.199 -7.638 1.00 25.00 H new ATOM 0 HB3 ASN A 18 13.830 0.072 -6.418 1.00 25.00 H new ATOM 0 HD21 ASN A 18 13.463 3.335 -7.748 1.00 25.00 H new ATOM 0 HD22 ASN A 18 12.740 1.759 -7.412 1.00 25.00 H new ATOM 268 N TYR A 19 14.720 -0.120 -3.468 1.00 25.00 N ATOM 269 CA TYR A 19 14.255 0.382 -2.153 1.00 25.00 C ATOM 270 C TYR A 19 15.431 0.637 -1.231 1.00 25.00 C ATOM 271 O TYR A 19 15.273 1.263 -0.201 1.00 25.00 O ATOM 272 CB TYR A 19 13.292 -0.571 -1.480 1.00 25.00 C ATOM 273 CG TYR A 19 11.949 -0.685 -2.194 1.00 25.00 C ATOM 274 CD1 TYR A 19 10.896 0.162 -1.905 1.00 25.00 C ATOM 275 CD2 TYR A 19 11.766 -1.675 -3.190 1.00 25.00 C ATOM 276 CE1 TYR A 19 9.679 0.050 -2.577 1.00 25.00 C ATOM 277 CE2 TYR A 19 10.562 -1.785 -3.871 1.00 25.00 C ATOM 278 CZ TYR A 19 9.515 -0.904 -3.562 1.00 25.00 C ATOM 279 OH TYR A 19 8.302 -0.994 -4.212 1.00 25.00 O ATOM 0 H TYR A 19 14.557 -1.113 -3.637 1.00 25.00 H new ATOM 0 HA TYR A 19 13.727 1.316 -2.347 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.750 -1.559 -1.425 1.00 25.00 H new ATOM 0 HB3 TYR A 19 13.123 -0.240 -0.455 1.00 25.00 H new ATOM 0 HD1 TYR A 19 11.017 0.922 -1.147 1.00 25.00 H new ATOM 0 HD2 TYR A 19 12.574 -2.353 -3.422 1.00 25.00 H new ATOM 0 HE1 TYR A 19 8.863 0.711 -2.326 1.00 25.00 H new ATOM 0 HE2 TYR A 19 10.432 -2.541 -4.631 1.00 25.00 H new ATOM 0 HH TYR A 19 8.341 -1.711 -4.879 1.00 25.00 H new ATOM 289 N CYS A 20 16.603 0.160 -1.604 1.00 25.00 N ATOM 290 CA CYS A 20 17.815 0.358 -0.802 1.00 25.00 C ATOM 291 C CYS A 20 18.981 0.704 -1.801 1.00 25.00 C ATOM 292 O CYS A 20 20.012 0.044 -1.864 1.00 25.00 O ATOM 293 CB CYS A 20 18.135 -0.899 0.017 1.00 25.00 C ATOM 294 SG CYS A 20 18.828 -0.568 1.683 1.00 25.00 S ATOM 0 H CYS A 20 16.751 -0.372 -2.462 1.00 25.00 H new ATOM 0 HA CYS A 20 17.679 1.169 -0.087 1.00 25.00 H new ATOM 0 HB2 CYS A 20 17.224 -1.487 0.127 1.00 25.00 H new ATOM 0 HB3 CYS A 20 18.843 -1.511 -0.542 1.00 25.00 H new ATOM 299 N ASN A 21 18.681 1.692 -2.615 1.00 25.00 N ATOM 300 CA ASN A 21 19.517 2.116 -3.765 1.00 25.00 C ATOM 301 C ASN A 21 20.916 2.622 -3.347 1.00 25.00 C ATOM 302 O ASN A 21 21.111 3.678 -2.759 1.00 25.00 O ATOM 303 CB ASN A 21 18.740 3.161 -4.643 1.00 25.00 C ATOM 304 CG ASN A 21 19.430 3.311 -5.973 1.00 25.00 C ATOM 305 OD1 ASN A 21 20.095 2.425 -6.446 1.00 25.00 O ATOM 306 ND2 ASN A 21 19.260 4.450 -6.628 1.00 25.00 N ATOM 307 OXT ASN A 21 21.877 1.809 -3.614 1.00 25.00 O ATOM 0 H ASN A 21 17.833 2.249 -2.511 1.00 25.00 H new ATOM 0 HA ASN A 21 19.708 1.232 -4.373 1.00 25.00 H new ATOM 0 HB2 ASN A 21 17.711 2.834 -4.790 1.00 25.00 H new ATOM 0 HB3 ASN A 21 18.699 4.123 -4.132 1.00 25.00 H new ATOM 0 HD21 ASN A 21 19.694 4.583 -7.541 1.00 25.00 H new ATOM 0 HD22 ASN A 21 18.695 5.194 -6.219 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 20.774 -15.988 -2.814 1.00 25.00 N ATOM 317 CA PHE B 31 19.403 -15.427 -2.667 1.00 25.00 C ATOM 318 C PHE B 31 18.355 -16.166 -3.496 1.00 25.00 C ATOM 319 O PHE B 31 18.610 -16.777 -4.513 1.00 25.00 O ATOM 320 CB PHE B 31 19.333 -13.889 -2.945 1.00 25.00 C ATOM 321 CG PHE B 31 18.040 -13.196 -2.425 1.00 25.00 C ATOM 322 CD1 PHE B 31 17.964 -12.772 -1.089 1.00 25.00 C ATOM 323 CD2 PHE B 31 16.900 -12.992 -3.267 1.00 25.00 C ATOM 324 CE1 PHE B 31 16.818 -12.157 -0.576 1.00 25.00 C ATOM 325 CE2 PHE B 31 15.727 -12.425 -2.715 1.00 25.00 C ATOM 326 CZ PHE B 31 15.711 -12.003 -1.403 1.00 25.00 C ATOM 0 HA PHE B 31 19.159 -15.584 -1.616 1.00 25.00 H new ATOM 0 HB2 PHE B 31 20.197 -13.410 -2.484 1.00 25.00 H new ATOM 0 HB3 PHE B 31 19.412 -13.723 -4.019 1.00 25.00 H new ATOM 0 HD1 PHE B 31 18.814 -12.925 -0.440 1.00 25.00 H new ATOM 0 HD2 PHE B 31 16.935 -13.268 -4.311 1.00 25.00 H new ATOM 0 HE1 PHE B 31 16.793 -11.807 0.446 1.00 25.00 H new ATOM 0 HE2 PHE B 31 14.841 -12.323 -3.324 1.00 25.00 H new ATOM 0 HZ PHE B 31 14.818 -11.542 -1.008 1.00 25.00 H new ATOM 337 N VAL B 32 17.145 -16.199 -2.972 1.00 25.00 N ATOM 338 CA VAL B 32 15.969 -16.882 -3.607 1.00 25.00 C ATOM 339 C VAL B 32 14.731 -15.978 -3.593 1.00 25.00 C ATOM 340 O VAL B 32 14.406 -15.340 -2.604 1.00 25.00 O ATOM 341 CB VAL B 32 15.706 -18.292 -2.961 1.00 25.00 C ATOM 342 CG1 VAL B 32 15.381 -18.239 -1.451 1.00 25.00 C ATOM 343 CG2 VAL B 32 14.611 -19.024 -3.735 1.00 25.00 C ATOM 0 H VAL B 32 16.919 -15.755 -2.082 1.00 25.00 H new ATOM 0 HA VAL B 32 16.207 -17.066 -4.655 1.00 25.00 H new ATOM 0 HB VAL B 32 16.641 -18.848 -3.035 1.00 25.00 H new ATOM 0 HG11 VAL B 32 15.212 -19.250 -1.079 1.00 25.00 H new ATOM 0 HG12 VAL B 32 16.217 -17.790 -0.914 1.00 25.00 H new ATOM 0 HG13 VAL B 32 14.484 -17.640 -1.293 1.00 25.00 H new ATOM 0 HG21 VAL B 32 14.435 -19.999 -3.281 1.00 25.00 H new ATOM 0 HG22 VAL B 32 13.692 -18.439 -3.706 1.00 25.00 H new ATOM 0 HG23 VAL B 32 14.924 -19.157 -4.771 1.00 25.00 H new ATOM 353 N ASN B 33 14.142 -15.826 -4.754 1.00 25.00 N ATOM 354 CA ASN B 33 12.952 -14.971 -4.903 1.00 25.00 C ATOM 355 C ASN B 33 11.721 -15.797 -4.525 1.00 25.00 C ATOM 356 O ASN B 33 11.496 -16.883 -5.054 1.00 25.00 O ATOM 357 CB ASN B 33 12.817 -14.401 -6.333 1.00 25.00 C ATOM 358 CG ASN B 33 12.402 -15.421 -7.343 1.00 25.00 C ATOM 359 OD1 ASN B 33 11.220 -15.612 -7.554 1.00 25.00 O ATOM 360 ND2 ASN B 33 13.336 -16.072 -7.981 1.00 25.00 N ATOM 0 H ASN B 33 14.453 -16.274 -5.616 1.00 25.00 H new ATOM 0 HA ASN B 33 13.048 -14.110 -4.242 1.00 25.00 H new ATOM 0 HB2 ASN B 33 12.088 -13.591 -6.326 1.00 25.00 H new ATOM 0 HB3 ASN B 33 13.771 -13.969 -6.635 1.00 25.00 H new ATOM 0 HD21 ASN B 33 13.084 -16.768 -8.683 1.00 25.00 H new ATOM 0 HD22 ASN B 33 14.318 -15.885 -7.777 1.00 25.00 H new ATOM 367 N GLN B 34 10.969 -15.324 -3.528 1.00 25.00 N ATOM 368 CA GLN B 34 9.780 -16.054 -2.980 1.00 25.00 C ATOM 369 C GLN B 34 8.685 -15.076 -2.606 1.00 25.00 C ATOM 370 O GLN B 34 8.892 -13.868 -2.607 1.00 25.00 O ATOM 371 CB GLN B 34 10.183 -16.888 -1.752 1.00 25.00 C ATOM 372 CG GLN B 34 11.366 -17.882 -1.936 1.00 25.00 C ATOM 373 CD GLN B 34 11.704 -18.660 -0.718 1.00 25.00 C ATOM 374 OE1 GLN B 34 11.671 -19.891 -0.768 1.00 25.00 O ATOM 375 NE2 GLN B 34 12.130 -18.006 0.343 1.00 25.00 N ATOM 0 H GLN B 34 11.150 -14.432 -3.068 1.00 25.00 H new ATOM 0 HA GLN B 34 9.402 -16.725 -3.752 1.00 25.00 H new ATOM 0 HB2 GLN B 34 10.438 -16.202 -0.944 1.00 25.00 H new ATOM 0 HB3 GLN B 34 9.311 -17.455 -1.425 1.00 25.00 H new ATOM 0 HG2 GLN B 34 11.121 -18.576 -2.740 1.00 25.00 H new ATOM 0 HG3 GLN B 34 12.247 -17.325 -2.254 1.00 25.00 H new ATOM 0 HE21 GLN B 34 12.141 -16.986 0.343 1.00 25.00 H new ATOM 0 HE22 GLN B 34 12.449 -18.519 1.165 1.00 25.00 H new ATOM 384 N HIS B 35 7.511 -15.600 -2.277 1.00 25.00 N ATOM 385 CA HIS B 35 6.363 -14.744 -1.907 1.00 25.00 C ATOM 386 C HIS B 35 6.546 -14.221 -0.466 1.00 25.00 C ATOM 387 O HIS B 35 6.150 -14.902 0.491 1.00 25.00 O ATOM 388 CB HIS B 35 5.013 -15.529 -2.014 1.00 25.00 C ATOM 389 CG HIS B 35 4.644 -15.921 -3.432 1.00 25.00 C ATOM 390 ND1 HIS B 35 4.207 -15.004 -4.404 1.00 25.00 N ATOM 391 CD2 HIS B 35 4.661 -17.119 -4.068 1.00 25.00 C ATOM 392 CE1 HIS B 35 4.027 -15.660 -5.542 1.00 25.00 C ATOM 393 NE2 HIS B 35 4.289 -16.920 -5.350 1.00 25.00 N ATOM 0 H HIS B 35 7.318 -16.601 -2.255 1.00 25.00 H new ATOM 0 HA HIS B 35 6.327 -13.905 -2.602 1.00 25.00 H new ATOM 0 HB2 HIS B 35 5.078 -16.429 -1.403 1.00 25.00 H new ATOM 0 HB3 HIS B 35 4.213 -14.917 -1.596 1.00 25.00 H new ATOM 0 HD2 HIS B 35 4.926 -18.068 -3.625 1.00 25.00 H new ATOM 0 HE1 HIS B 35 3.714 -15.220 -6.477 1.00 25.00 H new ATOM 0 HE2 HIS B 35 4.223 -17.648 -6.061 1.00 25.00 H new ATOM 402 N LEU B 36 7.110 -13.017 -0.295 1.00 25.00 N ATOM 403 CA LEU B 36 7.290 -12.506 1.052 1.00 25.00 C ATOM 404 C LEU B 36 6.315 -11.410 1.312 1.00 25.00 C ATOM 405 O LEU B 36 5.976 -10.635 0.419 1.00 25.00 O ATOM 406 CB LEU B 36 8.709 -11.959 1.294 1.00 25.00 C ATOM 407 CG LEU B 36 9.782 -12.932 1.834 1.00 25.00 C ATOM 408 CD1 LEU B 36 9.859 -14.222 1.007 1.00 25.00 C ATOM 409 CD2 LEU B 36 11.135 -12.281 1.842 1.00 25.00 C ATOM 0 H LEU B 36 7.435 -12.407 -1.045 1.00 25.00 H new ATOM 0 HA LEU B 36 7.128 -13.345 1.729 1.00 25.00 H new ATOM 0 HB2 LEU B 36 9.074 -11.550 0.352 1.00 25.00 H new ATOM 0 HB3 LEU B 36 8.631 -11.127 1.994 1.00 25.00 H new ATOM 0 HG LEU B 36 9.486 -13.188 2.851 1.00 25.00 H new ATOM 0 HD11 LEU B 36 10.626 -14.875 1.423 1.00 25.00 H new ATOM 0 HD12 LEU B 36 8.895 -14.730 1.035 1.00 25.00 H new ATOM 0 HD13 LEU B 36 10.111 -13.978 -0.025 1.00 25.00 H new ATOM 0 HD21 LEU B 36 11.875 -12.984 2.226 1.00 25.00 H new ATOM 0 HD22 LEU B 36 11.404 -11.989 0.827 1.00 25.00 H new ATOM 0 HD23 LEU B 36 11.110 -11.397 2.479 1.00 25.00 H new ATOM 421 N CYS B 37 5.783 -11.369 2.537 1.00 25.00 N ATOM 422 CA CYS B 37 4.780 -10.371 2.882 1.00 25.00 C ATOM 423 C CYS B 37 5.168 -9.660 4.162 1.00 25.00 C ATOM 424 O CYS B 37 6.362 -9.448 4.434 1.00 25.00 O ATOM 425 CB CYS B 37 3.433 -11.062 3.001 1.00 25.00 C ATOM 426 SG CYS B 37 1.980 -10.055 2.549 1.00 25.00 S ATOM 0 H CYS B 37 6.029 -12.008 3.293 1.00 25.00 H new ATOM 0 HA CYS B 37 4.714 -9.611 2.104 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.445 -11.951 2.371 1.00 25.00 H new ATOM 0 HB3 CYS B 37 3.310 -11.402 4.029 1.00 25.00 H new ATOM 431 N GLY B 38 4.156 -9.325 4.963 1.00 25.00 N ATOM 432 CA GLY B 38 4.373 -8.618 6.214 1.00 25.00 C ATOM 433 C GLY B 38 5.501 -9.183 7.047 1.00 25.00 C ATOM 434 O GLY B 38 5.677 -10.378 7.157 1.00 25.00 O ATOM 0 H GLY B 38 3.178 -9.535 4.762 1.00 25.00 H new ATOM 0 HA2 GLY B 38 4.584 -7.571 5.997 1.00 25.00 H new ATOM 0 HA3 GLY B 38 3.454 -8.644 6.799 1.00 25.00 H new ATOM 438 N SER B 39 6.253 -8.285 7.669 1.00 25.00 N ATOM 439 CA SER B 39 7.388 -8.617 8.532 1.00 25.00 C ATOM 440 C SER B 39 8.588 -9.322 7.853 1.00 25.00 C ATOM 441 O SER B 39 9.684 -8.794 7.802 1.00 25.00 O ATOM 442 CB SER B 39 6.903 -9.499 9.694 1.00 25.00 C ATOM 443 OG SER B 39 7.926 -9.596 10.661 1.00 25.00 O ATOM 0 H SER B 39 6.090 -7.281 7.588 1.00 25.00 H new ATOM 0 HA SER B 39 7.769 -7.650 8.860 1.00 25.00 H new ATOM 0 HB2 SER B 39 6.004 -9.073 10.140 1.00 25.00 H new ATOM 0 HB3 SER B 39 6.637 -10.491 9.327 1.00 25.00 H new ATOM 0 HG SER B 39 7.621 -10.156 11.405 1.00 25.00 H new ATOM 449 N HIS B 40 8.403 -10.491 7.292 1.00 25.00 N ATOM 450 CA HIS B 40 9.506 -11.189 6.628 1.00 25.00 C ATOM 451 C HIS B 40 10.047 -10.401 5.425 1.00 25.00 C ATOM 452 O HIS B 40 11.234 -10.547 5.140 1.00 25.00 O ATOM 453 CB HIS B 40 9.044 -12.589 6.210 1.00 25.00 C ATOM 454 CG HIS B 40 9.961 -13.681 6.692 1.00 25.00 C ATOM 455 ND1 HIS B 40 11.052 -14.151 5.958 1.00 25.00 N ATOM 456 CD2 HIS B 40 10.008 -14.361 7.870 1.00 25.00 C ATOM 457 CE1 HIS B 40 11.677 -15.094 6.681 1.00 25.00 C ATOM 458 NE2 HIS B 40 11.073 -15.213 7.834 1.00 25.00 N ATOM 0 H HIS B 40 7.512 -10.986 7.275 1.00 25.00 H new ATOM 0 HA HIS B 40 10.331 -11.278 7.335 1.00 25.00 H new ATOM 0 HB2 HIS B 40 8.042 -12.766 6.600 1.00 25.00 H new ATOM 0 HB3 HIS B 40 8.976 -12.633 5.123 1.00 25.00 H new ATOM 0 HD2 HIS B 40 9.319 -14.246 8.694 1.00 25.00 H new ATOM 0 HE1 HIS B 40 12.539 -15.662 6.362 1.00 25.00 H new ATOM 0 HE2 HIS B 40 11.353 -15.842 8.586 1.00 25.00 H new ATOM 467 N LEU B 41 9.249 -9.644 4.692 1.00 25.00 N ATOM 468 CA LEU B 41 9.775 -8.874 3.519 1.00 25.00 C ATOM 469 C LEU B 41 10.704 -7.800 4.035 1.00 25.00 C ATOM 470 O LEU B 41 11.743 -7.534 3.462 1.00 25.00 O ATOM 471 CB LEU B 41 8.621 -8.245 2.710 1.00 25.00 C ATOM 472 CG LEU B 41 9.008 -7.418 1.455 1.00 25.00 C ATOM 473 CD1 LEU B 41 9.518 -8.298 0.308 1.00 25.00 C ATOM 474 CD2 LEU B 41 7.795 -6.658 1.023 1.00 25.00 C ATOM 0 H LEU B 41 8.250 -9.530 4.863 1.00 25.00 H new ATOM 0 HA LEU B 41 10.313 -9.547 2.851 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.953 -9.046 2.395 1.00 25.00 H new ATOM 0 HB3 LEU B 41 8.051 -7.599 3.379 1.00 25.00 H new ATOM 0 HG LEU B 41 9.826 -6.745 1.712 1.00 25.00 H new ATOM 0 HD11 LEU B 41 9.775 -7.671 -0.545 1.00 25.00 H new ATOM 0 HD12 LEU B 41 10.402 -8.846 0.635 1.00 25.00 H new ATOM 0 HD13 LEU B 41 8.740 -9.004 0.018 1.00 25.00 H new ATOM 0 HD21 LEU B 41 8.033 -6.064 0.140 1.00 25.00 H new ATOM 0 HD22 LEU B 41 6.993 -7.357 0.785 1.00 25.00 H new ATOM 0 HD23 LEU B 41 7.473 -5.998 1.828 1.00 25.00 H new ATOM 486 N VAL B 42 10.340 -7.204 5.164 1.00 25.00 N ATOM 487 CA VAL B 42 11.139 -6.131 5.772 1.00 25.00 C ATOM 488 C VAL B 42 12.435 -6.747 6.338 1.00 25.00 C ATOM 489 O VAL B 42 13.496 -6.144 6.305 1.00 25.00 O ATOM 490 CB VAL B 42 10.329 -5.503 6.920 1.00 25.00 C ATOM 491 CG1 VAL B 42 11.146 -4.295 7.491 1.00 25.00 C ATOM 492 CG2 VAL B 42 8.986 -5.045 6.451 1.00 25.00 C ATOM 0 H VAL B 42 9.495 -7.442 5.683 1.00 25.00 H new ATOM 0 HA VAL B 42 11.382 -5.368 5.033 1.00 25.00 H new ATOM 0 HB VAL B 42 10.162 -6.250 7.696 1.00 25.00 H new ATOM 0 HG11 VAL B 42 10.590 -3.833 8.307 1.00 25.00 H new ATOM 0 HG12 VAL B 42 12.108 -4.649 7.861 1.00 25.00 H new ATOM 0 HG13 VAL B 42 11.309 -3.561 6.702 1.00 25.00 H new ATOM 0 HG21 VAL B 42 8.439 -4.606 7.286 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.110 -4.299 5.666 1.00 25.00 H new ATOM 0 HG23 VAL B 42 8.428 -5.895 6.059 1.00 25.00 H new ATOM 502 N GLU B 43 12.333 -7.963 6.850 1.00 25.00 N ATOM 503 CA GLU B 43 13.512 -8.644 7.420 1.00 25.00 C ATOM 504 C GLU B 43 14.496 -8.990 6.279 1.00 25.00 C ATOM 505 O GLU B 43 15.672 -8.736 6.414 1.00 25.00 O ATOM 506 CB GLU B 43 13.090 -9.907 8.196 1.00 25.00 C ATOM 507 CG GLU B 43 14.117 -10.531 9.077 1.00 25.00 C ATOM 508 CD GLU B 43 13.539 -11.674 9.867 1.00 25.00 C ATOM 509 OE1 GLU B 43 12.735 -11.563 10.719 1.00 25.00 O ATOM 510 OE2 GLU B 43 13.948 -12.819 9.471 1.00 25.00 O ATOM 0 H GLU B 43 11.467 -8.501 6.889 1.00 25.00 H new ATOM 0 HA GLU B 43 14.009 -7.981 8.128 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.225 -9.655 8.809 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.762 -10.655 7.474 1.00 25.00 H new ATOM 0 HG2 GLU B 43 14.949 -10.889 8.471 1.00 25.00 H new ATOM 0 HG3 GLU B 43 14.518 -9.781 9.759 1.00 25.00 H new ATOM 518 N ALA B 44 14.028 -9.479 5.154 1.00 25.00 N ATOM 519 CA ALA B 44 14.931 -9.730 4.007 1.00 25.00 C ATOM 520 C ALA B 44 15.593 -8.410 3.575 1.00 25.00 C ATOM 521 O ALA B 44 16.803 -8.343 3.373 1.00 25.00 O ATOM 522 CB ALA B 44 14.175 -10.364 2.867 1.00 25.00 C ATOM 0 H ALA B 44 13.049 -9.714 4.989 1.00 25.00 H new ATOM 0 HA ALA B 44 15.713 -10.427 4.309 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.855 -10.541 2.033 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.749 -11.312 3.195 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.374 -9.698 2.547 1.00 25.00 H new ATOM 528 N LEU B 45 14.806 -7.331 3.504 1.00 25.00 N ATOM 529 CA LEU B 45 15.353 -6.015 3.178 1.00 25.00 C ATOM 530 C LEU B 45 16.439 -5.609 4.184 1.00 25.00 C ATOM 531 O LEU B 45 17.461 -5.112 3.817 1.00 25.00 O ATOM 532 CB LEU B 45 14.204 -5.006 3.183 1.00 25.00 C ATOM 533 CG LEU B 45 14.497 -3.639 2.553 1.00 25.00 C ATOM 534 CD1 LEU B 45 14.643 -3.802 1.012 1.00 25.00 C ATOM 535 CD2 LEU B 45 13.377 -2.669 2.808 1.00 25.00 C ATOM 0 H LEU B 45 13.799 -7.344 3.666 1.00 25.00 H new ATOM 0 HA LEU B 45 15.820 -6.042 2.193 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.357 -5.449 2.659 1.00 25.00 H new ATOM 0 HB3 LEU B 45 13.893 -4.847 4.215 1.00 25.00 H new ATOM 0 HG LEU B 45 15.415 -3.256 2.999 1.00 25.00 H new ATOM 0 HD11 LEU B 45 14.851 -2.832 0.562 1.00 25.00 H new ATOM 0 HD12 LEU B 45 15.463 -4.486 0.795 1.00 25.00 H new ATOM 0 HD13 LEU B 45 13.717 -4.202 0.599 1.00 25.00 H new ATOM 0 HD21 LEU B 45 13.615 -1.710 2.349 1.00 25.00 H new ATOM 0 HD22 LEU B 45 12.454 -3.058 2.378 1.00 25.00 H new ATOM 0 HD23 LEU B 45 13.249 -2.535 3.882 1.00 25.00 H new ATOM 547 N TYR B 46 16.206 -5.823 5.492 1.00 25.00 N ATOM 548 CA TYR B 46 17.191 -5.444 6.509 1.00 25.00 C ATOM 549 C TYR B 46 18.460 -6.211 6.339 1.00 25.00 C ATOM 550 O TYR B 46 19.537 -5.655 6.441 1.00 25.00 O ATOM 551 CB TYR B 46 16.569 -5.724 7.877 1.00 25.00 C ATOM 552 CG TYR B 46 17.608 -5.984 8.924 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.317 -4.953 9.551 1.00 25.00 C ATOM 554 CD2 TYR B 46 17.876 -7.304 9.354 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.250 -5.205 10.628 1.00 25.00 C ATOM 556 CE2 TYR B 46 18.832 -7.553 10.433 1.00 25.00 C ATOM 557 CZ TYR B 46 19.456 -6.506 11.051 1.00 25.00 C ATOM 558 OH TYR B 46 20.309 -6.679 12.066 1.00 25.00 O ATOM 0 H TYR B 46 15.356 -6.250 5.861 1.00 25.00 H new ATOM 0 HA TYR B 46 17.444 -4.388 6.413 1.00 25.00 H new ATOM 0 HB2 TYR B 46 15.957 -4.874 8.177 1.00 25.00 H new ATOM 0 HB3 TYR B 46 15.905 -6.585 7.804 1.00 25.00 H new ATOM 0 HD1 TYR B 46 18.163 -3.936 9.220 1.00 25.00 H new ATOM 0 HD2 TYR B 46 17.371 -8.134 8.883 1.00 25.00 H new ATOM 0 HE1 TYR B 46 19.779 -4.388 11.096 1.00 25.00 H new ATOM 0 HE2 TYR B 46 19.045 -8.566 10.742 1.00 25.00 H new ATOM 0 HH TYR B 46 20.375 -7.633 12.279 1.00 25.00 H new ATOM 568 N LEU B 47 18.340 -7.502 6.024 1.00 25.00 N ATOM 569 CA LEU B 47 19.521 -8.318 5.818 1.00 25.00 C ATOM 570 C LEU B 47 20.282 -7.913 4.517 1.00 25.00 C ATOM 571 O LEU B 47 21.434 -8.095 4.424 1.00 25.00 O ATOM 572 CB LEU B 47 19.151 -9.810 5.745 1.00 25.00 C ATOM 573 CG LEU B 47 18.614 -10.509 7.015 1.00 25.00 C ATOM 574 CD1 LEU B 47 18.075 -11.861 6.653 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.648 -10.614 8.141 1.00 25.00 C ATOM 0 H LEU B 47 17.452 -7.991 5.909 1.00 25.00 H new ATOM 0 HA LEU B 47 20.177 -8.148 6.672 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.401 -9.926 4.963 1.00 25.00 H new ATOM 0 HB3 LEU B 47 20.038 -10.354 5.419 1.00 25.00 H new ATOM 0 HG LEU B 47 17.814 -9.884 7.411 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.696 -12.354 7.549 1.00 25.00 H new ATOM 0 HD12 LEU B 47 17.266 -11.749 5.931 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.870 -12.465 6.216 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.201 -11.115 9.000 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.508 -11.187 7.793 1.00 25.00 H new ATOM 0 HD23 LEU B 47 19.972 -9.615 8.432 1.00 25.00 H new ATOM 587 N VAL B 48 19.606 -7.442 3.474 1.00 25.00 N ATOM 588 CA VAL B 48 20.292 -7.069 2.253 1.00 25.00 C ATOM 589 C VAL B 48 20.828 -5.629 2.282 1.00 25.00 C ATOM 590 O VAL B 48 21.923 -5.361 1.772 1.00 25.00 O ATOM 591 CB VAL B 48 19.459 -7.365 0.965 1.00 25.00 C ATOM 592 CG1 VAL B 48 18.320 -6.363 0.706 1.00 25.00 C ATOM 593 CG2 VAL B 48 20.383 -7.369 -0.290 1.00 25.00 C ATOM 0 H VAL B 48 18.594 -7.312 3.454 1.00 25.00 H new ATOM 0 HA VAL B 48 21.165 -7.720 2.204 1.00 25.00 H new ATOM 0 HB VAL B 48 19.009 -8.342 1.139 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.792 -6.640 -0.206 1.00 25.00 H new ATOM 0 HG12 VAL B 48 17.625 -6.377 1.546 1.00 25.00 H new ATOM 0 HG13 VAL B 48 18.735 -5.361 0.595 1.00 25.00 H new ATOM 0 HG21 VAL B 48 19.788 -7.577 -1.179 1.00 25.00 H new ATOM 0 HG22 VAL B 48 20.861 -6.395 -0.393 1.00 25.00 H new ATOM 0 HG23 VAL B 48 21.147 -8.138 -0.177 1.00 25.00 H new ATOM 603 N CYS B 49 20.131 -4.749 2.992 1.00 25.00 N ATOM 604 CA CYS B 49 20.647 -3.405 3.211 1.00 25.00 C ATOM 605 C CYS B 49 21.853 -3.390 4.171 1.00 25.00 C ATOM 606 O CYS B 49 22.795 -2.662 3.981 1.00 25.00 O ATOM 607 CB CYS B 49 19.582 -2.548 3.833 1.00 25.00 C ATOM 608 SG CYS B 49 18.193 -2.206 2.738 1.00 25.00 S ATOM 0 H CYS B 49 19.224 -4.937 3.418 1.00 25.00 H new ATOM 0 HA CYS B 49 20.956 -3.028 2.236 1.00 25.00 H new ATOM 0 HB2 CYS B 49 19.211 -3.041 4.732 1.00 25.00 H new ATOM 0 HB3 CYS B 49 20.026 -1.603 4.147 1.00 25.00 H new ATOM 613 N GLY B 50 21.803 -4.212 5.187 1.00 25.00 N ATOM 614 CA GLY B 50 22.883 -4.276 6.175 1.00 25.00 C ATOM 615 C GLY B 50 22.875 -3.079 7.128 1.00 25.00 C ATOM 616 O GLY B 50 23.797 -2.836 7.882 1.00 25.00 O ATOM 0 H GLY B 50 21.030 -4.853 5.364 1.00 25.00 H new ATOM 0 HA2 GLY B 50 22.790 -5.196 6.752 1.00 25.00 H new ATOM 0 HA3 GLY B 50 23.842 -4.319 5.658 1.00 25.00 H new ATOM 620 N GLU B 51 21.792 -2.328 7.094 1.00 25.00 N ATOM 621 CA GLU B 51 21.557 -1.235 8.036 1.00 25.00 C ATOM 622 C GLU B 51 21.296 -1.815 9.429 1.00 25.00 C ATOM 623 O GLU B 51 20.927 -2.959 9.543 1.00 25.00 O ATOM 624 CB GLU B 51 20.358 -0.407 7.628 1.00 25.00 C ATOM 625 CG GLU B 51 20.527 0.380 6.365 1.00 25.00 C ATOM 626 CD GLU B 51 21.477 1.522 6.525 1.00 25.00 C ATOM 627 OE1 GLU B 51 21.227 2.511 7.154 1.00 25.00 O ATOM 628 OE2 GLU B 51 22.578 1.384 5.873 1.00 25.00 O ATOM 0 H GLU B 51 21.044 -2.454 6.413 1.00 25.00 H new ATOM 0 HA GLU B 51 22.441 -0.597 8.041 1.00 25.00 H new ATOM 0 HB2 GLU B 51 19.501 -1.070 7.512 1.00 25.00 H new ATOM 0 HB3 GLU B 51 20.120 0.283 8.438 1.00 25.00 H new ATOM 0 HG2 GLU B 51 20.887 -0.280 5.575 1.00 25.00 H new ATOM 0 HG3 GLU B 51 19.557 0.761 6.045 1.00 25.00 H new ATOM 636 N GLN B 52 21.399 -0.975 10.453 1.00 25.00 N ATOM 637 CA GLN B 52 21.093 -1.370 11.858 1.00 25.00 C ATOM 638 C GLN B 52 19.660 -1.804 12.104 1.00 25.00 C ATOM 639 O GLN B 52 19.364 -2.432 13.156 1.00 25.00 O ATOM 640 CB GLN B 52 21.404 -0.190 12.799 1.00 25.00 C ATOM 641 CG GLN B 52 20.430 0.976 12.670 1.00 25.00 C ATOM 642 CD GLN B 52 20.892 2.222 13.483 1.00 25.00 C ATOM 643 OE1 GLN B 52 21.587 2.097 14.468 1.00 25.00 O ATOM 644 NE2 GLN B 52 20.534 3.389 13.058 1.00 25.00 N ATOM 0 H GLN B 52 21.693 -0.004 10.353 1.00 25.00 H new ATOM 0 HA GLN B 52 21.720 -2.239 12.056 1.00 25.00 H new ATOM 0 HB2 GLN B 52 21.394 -0.547 13.829 1.00 25.00 H new ATOM 0 HB3 GLN B 52 22.413 0.168 12.596 1.00 25.00 H new ATOM 0 HG2 GLN B 52 20.328 1.247 11.619 1.00 25.00 H new ATOM 0 HG3 GLN B 52 19.445 0.664 13.016 1.00 25.00 H new ATOM 0 HE21 GLN B 52 19.949 3.472 12.227 1.00 25.00 H new ATOM 0 HE22 GLN B 52 20.837 4.227 13.554 1.00 25.00 H new ATOM 653 N GLY B 53 18.750 -1.506 11.187 1.00 25.00 N ATOM 654 CA GLY B 53 17.321 -1.832 11.376 1.00 25.00 C ATOM 655 C GLY B 53 16.508 -0.656 10.868 1.00 25.00 C ATOM 656 O GLY B 53 17.059 0.392 10.563 1.00 25.00 O ATOM 0 H GLY B 53 18.963 -1.041 10.304 1.00 25.00 H new ATOM 0 HA2 GLY B 53 17.061 -2.740 10.832 1.00 25.00 H new ATOM 0 HA3 GLY B 53 17.107 -2.018 12.428 1.00 25.00 H new ATOM 660 N PHE B 54 15.196 -0.776 10.810 1.00 25.00 N ATOM 661 CA PHE B 54 14.321 0.323 10.292 1.00 25.00 C ATOM 662 C PHE B 54 13.446 0.939 11.408 1.00 25.00 C ATOM 663 O PHE B 54 12.743 1.929 11.196 1.00 25.00 O ATOM 664 CB PHE B 54 13.401 -0.242 9.214 1.00 25.00 C ATOM 665 CG PHE B 54 14.141 -0.831 8.046 1.00 25.00 C ATOM 666 CD1 PHE B 54 14.977 -0.027 7.257 1.00 25.00 C ATOM 667 CD2 PHE B 54 14.003 -2.200 7.714 1.00 25.00 C ATOM 668 CE1 PHE B 54 15.674 -0.566 6.157 1.00 25.00 C ATOM 669 CE2 PHE B 54 14.700 -2.724 6.574 1.00 25.00 C ATOM 670 CZ PHE B 54 15.554 -1.898 5.809 1.00 25.00 C ATOM 0 H PHE B 54 14.689 -1.610 11.108 1.00 25.00 H new ATOM 0 HA PHE B 54 14.968 1.104 9.892 1.00 25.00 H new ATOM 0 HB2 PHE B 54 12.765 -1.009 9.655 1.00 25.00 H new ATOM 0 HB3 PHE B 54 12.744 0.550 8.856 1.00 25.00 H new ATOM 0 HD1 PHE B 54 15.088 1.020 7.496 1.00 25.00 H new ATOM 0 HD2 PHE B 54 13.378 -2.845 8.314 1.00 25.00 H new ATOM 0 HE1 PHE B 54 16.316 0.076 5.573 1.00 25.00 H new ATOM 0 HE2 PHE B 54 14.570 -3.760 6.298 1.00 25.00 H new ATOM 0 HZ PHE B 54 16.102 -2.300 4.969 1.00 25.00 H new ATOM 680 N PHE B 55 13.530 0.363 12.590 1.00 25.00 N ATOM 681 CA PHE B 55 12.807 0.876 13.752 1.00 25.00 C ATOM 682 C PHE B 55 13.838 1.456 14.645 1.00 25.00 C ATOM 683 O PHE B 55 14.664 0.701 15.159 1.00 25.00 O ATOM 684 CB PHE B 55 12.014 -0.265 14.492 1.00 25.00 C ATOM 685 CG PHE B 55 10.754 0.217 15.079 1.00 25.00 C ATOM 686 CD1 PHE B 55 10.767 1.035 16.221 1.00 25.00 C ATOM 687 CD2 PHE B 55 9.506 -0.044 14.436 1.00 25.00 C ATOM 688 CE1 PHE B 55 9.525 1.594 16.713 1.00 25.00 C ATOM 689 CE2 PHE B 55 8.310 0.490 14.882 1.00 25.00 C ATOM 690 CZ PHE B 55 8.289 1.314 16.033 1.00 25.00 C ATOM 0 H PHE B 55 14.094 -0.466 12.779 1.00 25.00 H new ATOM 0 HA PHE B 55 12.065 1.616 13.452 1.00 25.00 H new ATOM 0 HB2 PHE B 55 11.799 -1.070 13.789 1.00 25.00 H new ATOM 0 HB3 PHE B 55 12.640 -0.687 15.278 1.00 25.00 H new ATOM 0 HD1 PHE B 55 11.697 1.246 16.729 1.00 25.00 H new ATOM 0 HD2 PHE B 55 9.495 -0.684 13.566 1.00 25.00 H new ATOM 0 HE1 PHE B 55 9.527 2.222 17.592 1.00 25.00 H new ATOM 0 HE2 PHE B 55 7.393 0.278 14.352 1.00 25.00 H new ATOM 0 HZ PHE B 55 7.359 1.726 16.395 1.00 25.00 H new ATOM 700 N TYR B 56 13.825 2.794 14.766 1.00 25.00 N ATOM 701 CA TYR B 56 14.796 3.503 15.593 1.00 25.00 C ATOM 702 C TYR B 56 14.109 4.521 16.504 1.00 25.00 C ATOM 703 O TYR B 56 13.518 5.500 16.058 1.00 25.00 O ATOM 704 CB TYR B 56 15.886 4.127 14.719 1.00 25.00 C ATOM 705 CG TYR B 56 16.833 5.055 15.451 1.00 25.00 C ATOM 706 CD1 TYR B 56 17.736 4.577 16.430 1.00 25.00 C ATOM 707 CD2 TYR B 56 16.804 6.435 15.186 1.00 25.00 C ATOM 708 CE1 TYR B 56 18.627 5.478 17.090 1.00 25.00 C ATOM 709 CE2 TYR B 56 17.671 7.356 15.874 1.00 25.00 C ATOM 710 CZ TYR B 56 18.560 6.857 16.836 1.00 25.00 C ATOM 711 OH TYR B 56 19.419 7.697 17.537 1.00 25.00 O ATOM 0 H TYR B 56 13.150 3.400 14.299 1.00 25.00 H new ATOM 0 HA TYR B 56 15.286 2.787 16.253 1.00 25.00 H new ATOM 0 HB2 TYR B 56 16.466 3.327 14.260 1.00 25.00 H new ATOM 0 HB3 TYR B 56 15.410 4.681 13.909 1.00 25.00 H new ATOM 0 HD1 TYR B 56 17.752 3.526 16.679 1.00 25.00 H new ATOM 0 HD2 TYR B 56 16.114 6.814 14.447 1.00 25.00 H new ATOM 0 HE1 TYR B 56 19.357 5.096 17.789 1.00 25.00 H new ATOM 0 HE2 TYR B 56 17.637 8.413 15.653 1.00 25.00 H new ATOM 0 HH TYR B 56 19.266 8.625 17.262 1.00 25.00 H new ATOM 721 N THR B 57 14.169 4.228 17.813 1.00 25.00 N ATOM 722 CA THR B 57 13.591 5.100 18.833 1.00 25.00 C ATOM 723 C THR B 57 14.617 5.273 19.948 1.00 25.00 C ATOM 724 O THR B 57 14.742 4.440 20.844 1.00 25.00 O ATOM 725 CB THR B 57 12.324 4.527 19.460 1.00 25.00 C ATOM 726 OG1 THR B 57 11.500 4.026 18.409 1.00 25.00 O ATOM 727 CG2 THR B 57 11.527 5.591 20.244 1.00 25.00 C ATOM 0 H THR B 57 14.615 3.389 18.185 1.00 25.00 H new ATOM 0 HA THR B 57 13.331 6.040 18.347 1.00 25.00 H new ATOM 0 HB THR B 57 12.613 3.744 20.162 1.00 25.00 H new ATOM 0 HG1 THR B 57 10.678 3.650 18.788 1.00 25.00 H new ATOM 0 HG21 THR B 57 10.634 5.135 20.672 1.00 25.00 H new ATOM 0 HG22 THR B 57 12.148 5.994 21.045 1.00 25.00 H new ATOM 0 HG23 THR B 57 11.236 6.397 19.570 1.00 25.00 H new ATOM 735 N PRO B 58 15.391 6.351 19.891 1.00 25.00 N ATOM 736 CA PRO B 58 16.354 6.629 20.975 1.00 25.00 C ATOM 737 C PRO B 58 15.711 7.069 22.281 1.00 25.00 C ATOM 738 O PRO B 58 15.386 8.239 22.461 1.00 25.00 O ATOM 739 CB PRO B 58 17.195 7.773 20.395 1.00 25.00 C ATOM 740 CG PRO B 58 16.342 8.406 19.324 1.00 25.00 C ATOM 741 CD PRO B 58 15.446 7.372 18.817 1.00 25.00 C ATOM 0 HA PRO B 58 16.912 5.732 21.244 1.00 25.00 H new ATOM 0 HB2 PRO B 58 17.456 8.497 21.167 1.00 25.00 H new ATOM 0 HB3 PRO B 58 18.131 7.399 19.980 1.00 25.00 H new ATOM 0 HG2 PRO B 58 15.773 9.242 19.730 1.00 25.00 H new ATOM 0 HG3 PRO B 58 16.964 8.803 18.522 1.00 25.00 H new ATOM 0 HD2 PRO B 58 14.456 7.776 18.606 1.00 25.00 H new ATOM 0 HD3 PRO B 58 15.821 6.946 17.886 1.00 25.00 H new ATOM 749 N LYS B 59 15.646 6.145 23.233 1.00 25.00 N ATOM 750 CA LYS B 59 15.238 6.508 24.592 1.00 25.00 C ATOM 751 C LYS B 59 16.012 5.703 25.679 1.00 25.00 C ATOM 752 O LYS B 59 15.969 4.497 25.710 1.00 25.00 O ATOM 753 CB LYS B 59 13.728 6.255 24.727 1.00 25.00 C ATOM 754 CG LYS B 59 13.092 6.956 25.925 1.00 25.00 C ATOM 755 CD LYS B 59 11.651 6.603 26.034 1.00 25.00 C ATOM 756 CE LYS B 59 10.936 7.473 27.075 1.00 25.00 C ATOM 757 NZ LYS B 59 10.860 8.894 26.577 1.00 25.00 N ATOM 0 H LYS B 59 15.865 5.158 23.098 1.00 25.00 H new ATOM 0 HA LYS B 59 15.473 7.560 24.753 1.00 25.00 H new ATOM 0 HB2 LYS B 59 13.230 6.588 23.816 1.00 25.00 H new ATOM 0 HB3 LYS B 59 13.555 5.182 24.811 1.00 25.00 H new ATOM 0 HG2 LYS B 59 13.612 6.670 26.839 1.00 25.00 H new ATOM 0 HG3 LYS B 59 13.201 8.036 25.821 1.00 25.00 H new ATOM 0 HD2 LYS B 59 11.171 6.727 25.063 1.00 25.00 H new ATOM 0 HD3 LYS B 59 11.552 5.552 26.307 1.00 25.00 H new ATOM 0 HE2 LYS B 59 9.933 7.087 27.260 1.00 25.00 H new ATOM 0 HE3 LYS B 59 11.471 7.437 28.024 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 10.109 9.401 27.087 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 11.771 9.368 26.741 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 10.648 8.894 25.559 1.00 25.00 H new ATOM 771 N THR B 60 16.798 6.384 26.517 1.00 25.00 N ATOM 772 CA THR B 60 17.576 5.689 27.563 1.00 25.00 C ATOM 773 C THR B 60 16.768 5.515 28.879 1.00 25.00 C ATOM 774 O THR B 60 15.982 6.296 29.353 1.00 25.00 O ATOM 775 CB THR B 60 18.838 6.441 27.829 1.00 25.00 C ATOM 776 OG1 THR B 60 18.599 7.832 27.658 1.00 25.00 O ATOM 777 CG2 THR B 60 19.954 5.951 26.852 1.00 25.00 C ATOM 778 OXT THR B 60 17.110 4.449 29.533 1.00 25.00 O ATOM 0 H THR B 60 16.916 7.397 26.499 1.00 25.00 H new ATOM 0 HA THR B 60 17.809 4.690 27.196 1.00 25.00 H new ATOM 0 HB THR B 60 19.169 6.263 28.852 1.00 25.00 H new ATOM 0 HG1 THR B 60 19.425 8.330 27.833 1.00 25.00 H new ATOM 0 HG21 THR B 60 20.875 6.500 27.047 1.00 25.00 H new ATOM 0 HG22 THR B 60 20.128 4.886 27.003 1.00 25.00 H new ATOM 0 HG23 THR B 60 19.639 6.124 25.823 1.00 25.00 H new TER 787 THR B 60