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 Set 1.1: A 8 THR OG1 : rot -80:sc= 1.13 USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 174:sc= -0.146 (180deg=-0.168) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.89) 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= -0.06 X(o=-0.06,f=-0.06) USER MOD Single : A 18 ASN : amide:sc= -0.0887 K(o=-0.089,f=-2.1!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0764 K(o=-0.076,f=-1.4!) USER MOD Single : B 33 ASN : amide:sc= -0.064 K(o=-0.064,f=-3.3!) USER MOD Single : B 34 GLN : amide:sc= 0.239 K(o=0.24,f=-5.5!) USER MOD Single : B 35 HIS : no HE2:sc= 0.514 K(o=0.51,f=-1.8!) 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) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 143:sc= 0.338 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.026 1.711 0.010 1.00 25.00 N ATOM 2 CA GLY A 1 3.178 0.671 -0.587 1.00 25.00 C ATOM 3 C GLY A 1 3.923 -0.615 -0.904 1.00 25.00 C ATOM 4 O GLY A 1 3.484 -1.573 -1.479 1.00 25.00 O ATOM 0 H1 GLY A 1 3.480 2.591 0.106 1.00 25.00 H new ATOM 0 H2 GLY A 1 4.349 1.399 0.948 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.850 1.880 -0.601 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.358 0.447 0.095 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.733 1.059 -1.504 1.00 25.00 H new ATOM 9 N ILE A 2 5.173 -0.663 -0.433 1.00 25.00 N ATOM 10 CA ILE A 2 6.125 -1.740 -0.756 1.00 25.00 C ATOM 11 C ILE A 2 5.644 -3.087 -0.255 1.00 25.00 C ATOM 12 O ILE A 2 5.835 -4.136 -0.918 1.00 25.00 O ATOM 13 CB ILE A 2 7.565 -1.393 -0.204 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.564 -2.469 -0.683 1.00 25.00 C ATOM 15 CG2 ILE A 2 7.554 -1.308 1.392 1.00 25.00 C ATOM 16 CD1 ILE A 2 10.055 -2.168 -0.334 1.00 25.00 C ATOM 0 H ILE A 2 5.559 0.048 0.188 1.00 25.00 H new ATOM 0 HA ILE A 2 6.189 -1.815 -1.842 1.00 25.00 H new ATOM 0 HB ILE A 2 7.871 -0.419 -0.587 1.00 25.00 H new ATOM 0 HG12 ILE A 2 8.287 -3.426 -0.242 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.472 -2.577 -1.764 1.00 25.00 H new ATOM 0 HG21 ILE A 2 8.555 -1.068 1.750 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.859 -0.531 1.710 1.00 25.00 H new ATOM 0 HG23 ILE A 2 7.241 -2.267 1.805 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.686 -2.975 -0.707 1.00 25.00 H new ATOM 0 HD12 ILE A 2 10.355 -1.228 -0.798 1.00 25.00 H new ATOM 0 HD13 ILE A 2 10.167 -2.091 0.747 1.00 25.00 H new ATOM 28 N VAL A 3 4.911 -3.099 0.852 1.00 25.00 N ATOM 29 CA VAL A 3 4.401 -4.381 1.424 1.00 25.00 C ATOM 30 C VAL A 3 3.281 -4.931 0.550 1.00 25.00 C ATOM 31 O VAL A 3 3.356 -6.094 0.171 1.00 25.00 O ATOM 32 CB VAL A 3 3.828 -4.212 2.906 1.00 25.00 C ATOM 33 CG1 VAL A 3 3.405 -5.578 3.448 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.851 -3.569 3.826 1.00 25.00 C ATOM 0 H VAL A 3 4.650 -2.264 1.377 1.00 25.00 H new ATOM 0 HA VAL A 3 5.251 -5.062 1.457 1.00 25.00 H new ATOM 0 HB VAL A 3 2.961 -3.552 2.868 1.00 25.00 H new ATOM 0 HG11 VAL A 3 3.014 -5.463 4.459 1.00 25.00 H new ATOM 0 HG12 VAL A 3 2.632 -6.001 2.806 1.00 25.00 H new ATOM 0 HG13 VAL A 3 4.267 -6.245 3.466 1.00 25.00 H new ATOM 0 HG21 VAL A 3 4.429 -3.469 4.826 1.00 25.00 H new ATOM 0 HG22 VAL A 3 5.744 -4.193 3.870 1.00 25.00 H new ATOM 0 HG23 VAL A 3 5.116 -2.583 3.443 1.00 25.00 H new ATOM 44 N GLU A 4 2.271 -4.134 0.247 1.00 25.00 N ATOM 45 CA GLU A 4 1.176 -4.642 -0.593 1.00 25.00 C ATOM 46 C GLU A 4 1.723 -4.951 -1.983 1.00 25.00 C ATOM 47 O GLU A 4 1.197 -5.822 -2.650 1.00 25.00 O ATOM 48 CB GLU A 4 -0.037 -3.652 -0.664 1.00 25.00 C ATOM 49 CG GLU A 4 0.249 -2.285 -1.381 1.00 25.00 C ATOM 50 CD GLU A 4 -0.889 -1.334 -1.282 1.00 25.00 C ATOM 51 OE1 GLU A 4 -0.885 -0.403 -0.511 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.871 -1.590 -2.138 1.00 25.00 O ATOM 0 H GLU A 4 2.177 -3.165 0.552 1.00 25.00 H new ATOM 0 HA GLU A 4 0.788 -5.554 -0.139 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.859 -4.148 -1.180 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.376 -3.446 0.351 1.00 25.00 H new ATOM 0 HG2 GLU A 4 1.137 -1.829 -0.943 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.471 -2.471 -2.432 1.00 25.00 H new ATOM 60 N GLN A 5 2.788 -4.278 -2.363 1.00 25.00 N ATOM 61 CA GLN A 5 3.411 -4.482 -3.683 1.00 25.00 C ATOM 62 C GLN A 5 3.963 -5.873 -3.777 1.00 25.00 C ATOM 63 O GLN A 5 3.475 -6.663 -4.544 1.00 25.00 O ATOM 64 CB GLN A 5 4.500 -3.440 -3.954 1.00 25.00 C ATOM 65 CG GLN A 5 5.130 -3.519 -5.312 1.00 25.00 C ATOM 66 CD GLN A 5 4.412 -2.701 -6.361 1.00 25.00 C ATOM 67 OE1 GLN A 5 3.256 -2.935 -6.648 1.00 25.00 O ATOM 68 NE2 GLN A 5 5.103 -1.816 -6.998 1.00 25.00 N ATOM 0 H GLN A 5 3.253 -3.579 -1.784 1.00 25.00 H new ATOM 0 HA GLN A 5 2.645 -4.355 -4.448 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.070 -2.446 -3.827 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.281 -3.549 -3.201 1.00 25.00 H new ATOM 0 HG2 GLN A 5 6.164 -3.180 -5.244 1.00 25.00 H new ATOM 0 HG3 GLN A 5 5.156 -4.561 -5.631 1.00 25.00 H new ATOM 0 HE21 GLN A 5 6.073 -1.640 -6.735 1.00 25.00 H new ATOM 0 HE22 GLN A 5 4.679 -1.293 -7.764 1.00 25.00 H new ATOM 77 N CYS A 6 4.996 -6.174 -2.964 1.00 25.00 N ATOM 78 CA CYS A 6 5.650 -7.487 -3.014 1.00 25.00 C ATOM 79 C CYS A 6 4.762 -8.641 -2.545 1.00 25.00 C ATOM 80 O CYS A 6 5.122 -9.799 -2.806 1.00 25.00 O ATOM 81 CB CYS A 6 6.906 -7.469 -2.160 1.00 25.00 C ATOM 82 SG CYS A 6 8.310 -6.514 -2.908 1.00 25.00 S ATOM 0 H CYS A 6 5.388 -5.532 -2.275 1.00 25.00 H new ATOM 0 HA CYS A 6 5.882 -7.664 -4.064 1.00 25.00 H new ATOM 0 HB2 CYS A 6 6.666 -7.041 -1.187 1.00 25.00 H new ATOM 0 HB3 CYS A 6 7.230 -8.495 -1.985 1.00 25.00 H new ATOM 87 N CYS A 7 3.747 -8.387 -1.752 1.00 25.00 N ATOM 88 CA CYS A 7 2.887 -9.439 -1.296 1.00 25.00 C ATOM 89 C CYS A 7 2.026 -9.962 -2.481 1.00 25.00 C ATOM 90 O CYS A 7 1.783 -11.196 -2.556 1.00 25.00 O ATOM 91 CB CYS A 7 2.028 -8.907 -0.154 1.00 25.00 C ATOM 92 SG CYS A 7 1.191 -10.152 0.867 1.00 25.00 S ATOM 0 H CYS A 7 3.501 -7.457 -1.412 1.00 25.00 H new ATOM 0 HA CYS A 7 3.470 -10.281 -0.923 1.00 25.00 H new ATOM 0 HB2 CYS A 7 2.659 -8.300 0.495 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.272 -8.244 -0.574 1.00 25.00 H new ATOM 97 N THR A 8 1.584 -9.065 -3.352 1.00 25.00 N ATOM 98 CA THR A 8 0.719 -9.454 -4.457 1.00 25.00 C ATOM 99 C THR A 8 1.508 -9.665 -5.759 1.00 25.00 C ATOM 100 O THR A 8 1.368 -10.709 -6.424 1.00 25.00 O ATOM 101 CB THR A 8 -0.367 -8.414 -4.679 1.00 25.00 C ATOM 102 OG1 THR A 8 0.251 -7.129 -4.876 1.00 25.00 O ATOM 103 CG2 THR A 8 -1.281 -8.315 -3.424 1.00 25.00 C ATOM 0 H THR A 8 1.808 -8.071 -3.316 1.00 25.00 H new ATOM 0 HA THR A 8 0.260 -10.404 -4.183 1.00 25.00 H new ATOM 0 HB THR A 8 -0.959 -8.704 -5.547 1.00 25.00 H new ATOM 0 HG1 THR A 8 0.499 -6.749 -4.008 1.00 25.00 H new ATOM 0 HG21 THR A 8 -2.055 -7.567 -3.596 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.747 -9.282 -3.236 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.683 -8.026 -2.560 1.00 25.00 H new ATOM 111 N SER A 9 2.304 -8.674 -6.128 1.00 25.00 N ATOM 112 CA SER A 9 3.169 -8.722 -7.291 1.00 25.00 C ATOM 113 C SER A 9 4.552 -9.166 -6.839 1.00 25.00 C ATOM 114 O SER A 9 5.230 -8.431 -6.133 1.00 25.00 O ATOM 115 CB SER A 9 3.162 -7.346 -7.976 1.00 25.00 C ATOM 116 OG SER A 9 1.820 -7.011 -8.381 1.00 25.00 O ATOM 0 H SER A 9 2.366 -7.795 -5.614 1.00 25.00 H new ATOM 0 HA SER A 9 2.820 -9.443 -8.031 1.00 25.00 H new ATOM 0 HB2 SER A 9 3.546 -6.588 -7.294 1.00 25.00 H new ATOM 0 HB3 SER A 9 3.822 -7.358 -8.844 1.00 25.00 H new ATOM 0 HG SER A 9 1.819 -6.133 -8.816 1.00 25.00 H new ATOM 122 N ILE A 10 4.976 -10.324 -7.253 1.00 25.00 N ATOM 123 CA ILE A 10 6.248 -10.844 -6.869 1.00 25.00 C ATOM 124 C ILE A 10 7.355 -9.885 -7.290 1.00 25.00 C ATOM 125 O ILE A 10 7.594 -9.647 -8.505 1.00 25.00 O ATOM 126 CB ILE A 10 6.503 -12.245 -7.464 1.00 25.00 C ATOM 127 CG1 ILE A 10 5.341 -13.197 -7.141 1.00 25.00 C ATOM 128 CG2 ILE A 10 7.829 -12.865 -6.915 1.00 25.00 C ATOM 129 CD1 ILE A 10 5.416 -14.544 -7.916 1.00 25.00 C ATOM 0 H ILE A 10 4.442 -10.936 -7.871 1.00 25.00 H new ATOM 0 HA ILE A 10 6.248 -10.944 -5.784 1.00 25.00 H new ATOM 0 HB ILE A 10 6.587 -12.121 -8.544 1.00 25.00 H new ATOM 0 HG12 ILE A 10 5.335 -13.402 -6.070 1.00 25.00 H new ATOM 0 HG13 ILE A 10 4.399 -12.702 -7.376 1.00 25.00 H new ATOM 0 HG21 ILE A 10 7.979 -13.851 -7.354 1.00 25.00 H new ATOM 0 HG22 ILE A 10 8.668 -12.220 -7.177 1.00 25.00 H new ATOM 0 HG23 ILE A 10 7.766 -12.956 -5.831 1.00 25.00 H new ATOM 0 HD11 ILE A 10 4.566 -15.169 -7.642 1.00 25.00 H new ATOM 0 HD12 ILE A 10 5.392 -14.349 -8.988 1.00 25.00 H new ATOM 0 HD13 ILE A 10 6.342 -15.059 -7.662 1.00 25.00 H new ATOM 141 N CYS A 11 8.132 -9.445 -6.319 1.00 25.00 N ATOM 142 CA CYS A 11 9.278 -8.625 -6.599 1.00 25.00 C ATOM 143 C CYS A 11 10.547 -9.506 -6.535 1.00 25.00 C ATOM 144 O CYS A 11 10.528 -10.640 -6.016 1.00 25.00 O ATOM 145 CB CYS A 11 9.301 -7.428 -5.611 1.00 25.00 C ATOM 146 SG CYS A 11 9.473 -7.904 -3.880 1.00 25.00 S ATOM 0 H CYS A 11 7.984 -9.646 -5.330 1.00 25.00 H new ATOM 0 HA CYS A 11 9.234 -8.200 -7.602 1.00 25.00 H new ATOM 0 HB2 CYS A 11 10.125 -6.766 -5.878 1.00 25.00 H new ATOM 0 HB3 CYS A 11 8.381 -6.855 -5.729 1.00 25.00 H new ATOM 151 N SER A 12 11.597 -9.025 -7.157 1.00 25.00 N ATOM 152 CA SER A 12 12.855 -9.796 -7.354 1.00 25.00 C ATOM 153 C SER A 12 13.990 -8.878 -6.942 1.00 25.00 C ATOM 154 O SER A 12 13.777 -7.679 -6.801 1.00 25.00 O ATOM 155 CB SER A 12 12.985 -10.217 -8.807 1.00 25.00 C ATOM 156 OG SER A 12 11.894 -11.043 -9.206 1.00 25.00 O ATOM 0 H SER A 12 11.628 -8.085 -7.552 1.00 25.00 H new ATOM 0 HA SER A 12 12.867 -10.708 -6.758 1.00 25.00 H new ATOM 0 HB2 SER A 12 13.025 -9.332 -9.442 1.00 25.00 H new ATOM 0 HB3 SER A 12 13.922 -10.755 -8.950 1.00 25.00 H new ATOM 0 HG SER A 12 12.003 -11.297 -10.146 1.00 25.00 H new ATOM 162 N LEU A 13 15.181 -9.443 -6.722 1.00 25.00 N ATOM 163 CA LEU A 13 16.318 -8.707 -6.182 1.00 25.00 C ATOM 164 C LEU A 13 16.600 -7.420 -6.998 1.00 25.00 C ATOM 165 O LEU A 13 16.786 -6.384 -6.375 1.00 25.00 O ATOM 166 CB LEU A 13 17.581 -9.573 -6.159 1.00 25.00 C ATOM 167 CG LEU A 13 18.860 -8.984 -5.514 1.00 25.00 C ATOM 168 CD1 LEU A 13 18.636 -8.738 -4.022 1.00 25.00 C ATOM 169 CD2 LEU A 13 20.042 -9.943 -5.750 1.00 25.00 C ATOM 0 H LEU A 13 15.380 -10.425 -6.915 1.00 25.00 H new ATOM 0 HA LEU A 13 16.055 -8.429 -5.161 1.00 25.00 H new ATOM 0 HB2 LEU A 13 17.341 -10.499 -5.636 1.00 25.00 H new ATOM 0 HB3 LEU A 13 17.820 -9.841 -7.188 1.00 25.00 H new ATOM 0 HG LEU A 13 19.093 -8.025 -5.977 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.543 -8.324 -3.581 1.00 25.00 H new ATOM 0 HD12 LEU A 13 17.814 -8.035 -3.889 1.00 25.00 H new ATOM 0 HD13 LEU A 13 18.391 -9.680 -3.531 1.00 25.00 H new ATOM 0 HD21 LEU A 13 20.943 -9.529 -5.296 1.00 25.00 H new ATOM 0 HD22 LEU A 13 19.821 -10.911 -5.300 1.00 25.00 H new ATOM 0 HD23 LEU A 13 20.200 -10.069 -6.821 1.00 25.00 H new ATOM 181 N TYR A 14 16.543 -7.483 -8.339 1.00 25.00 N ATOM 182 CA TYR A 14 16.824 -6.298 -9.167 1.00 25.00 C ATOM 183 C TYR A 14 15.922 -5.110 -8.750 1.00 25.00 C ATOM 184 O TYR A 14 16.403 -4.034 -8.540 1.00 25.00 O ATOM 185 CB TYR A 14 16.666 -6.611 -10.675 1.00 25.00 C ATOM 186 CG TYR A 14 16.774 -5.384 -11.574 1.00 25.00 C ATOM 187 CD1 TYR A 14 18.034 -4.873 -11.935 1.00 25.00 C ATOM 188 CD2 TYR A 14 15.631 -4.758 -12.098 1.00 25.00 C ATOM 189 CE1 TYR A 14 18.143 -3.695 -12.750 1.00 25.00 C ATOM 190 CE2 TYR A 14 15.731 -3.604 -12.935 1.00 25.00 C ATOM 191 CZ TYR A 14 17.008 -3.081 -13.244 1.00 25.00 C ATOM 192 OH TYR A 14 17.154 -1.945 -14.028 1.00 25.00 O ATOM 0 H TYR A 14 16.309 -8.325 -8.865 1.00 25.00 H new ATOM 0 HA TYR A 14 17.863 -6.013 -8.998 1.00 25.00 H new ATOM 0 HB2 TYR A 14 17.428 -7.333 -10.968 1.00 25.00 H new ATOM 0 HB3 TYR A 14 15.698 -7.085 -10.838 1.00 25.00 H new ATOM 0 HD1 TYR A 14 18.930 -5.372 -11.596 1.00 25.00 H new ATOM 0 HD2 TYR A 14 14.655 -5.157 -11.863 1.00 25.00 H new ATOM 0 HE1 TYR A 14 19.117 -3.287 -12.978 1.00 25.00 H new ATOM 0 HE2 TYR A 14 14.840 -3.136 -13.328 1.00 25.00 H new ATOM 0 HH TYR A 14 16.271 -1.623 -14.305 1.00 25.00 H new ATOM 202 N GLN A 15 14.612 -5.330 -8.569 1.00 25.00 N ATOM 203 CA GLN A 15 13.706 -4.275 -8.140 1.00 25.00 C ATOM 204 C GLN A 15 13.874 -3.960 -6.665 1.00 25.00 C ATOM 205 O GLN A 15 13.813 -2.825 -6.270 1.00 25.00 O ATOM 206 CB GLN A 15 12.210 -4.613 -8.425 1.00 25.00 C ATOM 207 CG GLN A 15 11.230 -3.465 -8.303 1.00 25.00 C ATOM 208 CD GLN A 15 11.493 -2.312 -9.309 1.00 25.00 C ATOM 209 OE1 GLN A 15 11.598 -2.513 -10.506 1.00 25.00 O ATOM 210 NE2 GLN A 15 11.443 -1.100 -8.805 1.00 25.00 N ATOM 0 H GLN A 15 14.163 -6.234 -8.716 1.00 25.00 H new ATOM 0 HA GLN A 15 13.975 -3.399 -8.730 1.00 25.00 H new ATOM 0 HB2 GLN A 15 12.137 -5.020 -9.433 1.00 25.00 H new ATOM 0 HB3 GLN A 15 11.900 -5.402 -7.740 1.00 25.00 H new ATOM 0 HG2 GLN A 15 10.219 -3.844 -8.454 1.00 25.00 H new ATOM 0 HG3 GLN A 15 11.273 -3.068 -7.289 1.00 25.00 H new ATOM 0 HE21 GLN A 15 11.355 -0.970 -7.797 1.00 25.00 H new ATOM 0 HE22 GLN A 15 11.492 -0.289 -9.421 1.00 25.00 H new ATOM 219 N LEU A 16 14.058 -4.986 -5.831 1.00 25.00 N ATOM 220 CA LEU A 16 14.144 -4.822 -4.377 1.00 25.00 C ATOM 221 C LEU A 16 15.292 -3.905 -4.055 1.00 25.00 C ATOM 222 O LEU A 16 15.151 -2.995 -3.243 1.00 25.00 O ATOM 223 CB LEU A 16 14.278 -6.189 -3.694 1.00 25.00 C ATOM 224 CG LEU A 16 14.174 -6.292 -2.161 1.00 25.00 C ATOM 225 CD1 LEU A 16 13.256 -7.422 -1.672 1.00 25.00 C ATOM 226 CD2 LEU A 16 15.564 -6.451 -1.561 1.00 25.00 C ATOM 0 H LEU A 16 14.152 -5.953 -6.143 1.00 25.00 H new ATOM 0 HA LEU A 16 13.230 -4.368 -3.993 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.512 -6.840 -4.116 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.244 -6.604 -3.983 1.00 25.00 H new ATOM 0 HG LEU A 16 13.714 -5.364 -1.821 1.00 25.00 H new ATOM 0 HD11 LEU A 16 13.236 -7.429 -0.582 1.00 25.00 H new ATOM 0 HD12 LEU A 16 12.247 -7.262 -2.053 1.00 25.00 H new ATOM 0 HD13 LEU A 16 13.632 -8.379 -2.034 1.00 25.00 H new ATOM 0 HD21 LEU A 16 15.486 -6.523 -0.476 1.00 25.00 H new ATOM 0 HD22 LEU A 16 16.028 -7.356 -1.953 1.00 25.00 H new ATOM 0 HD23 LEU A 16 16.175 -5.587 -1.824 1.00 25.00 H new ATOM 238 N GLU A 17 16.405 -4.100 -4.754 1.00 25.00 N ATOM 239 CA GLU A 17 17.597 -3.272 -4.550 1.00 25.00 C ATOM 240 C GLU A 17 17.339 -1.807 -4.812 1.00 25.00 C ATOM 241 O GLU A 17 17.939 -0.968 -4.185 1.00 25.00 O ATOM 242 CB GLU A 17 18.733 -3.696 -5.501 1.00 25.00 C ATOM 243 CG GLU A 17 19.667 -4.609 -4.809 1.00 25.00 C ATOM 244 CD GLU A 17 20.872 -4.921 -5.635 1.00 25.00 C ATOM 245 OE1 GLU A 17 21.151 -6.035 -6.004 1.00 25.00 O ATOM 246 OE2 GLU A 17 21.630 -3.891 -5.841 1.00 25.00 O ATOM 0 H GLU A 17 16.511 -4.822 -5.467 1.00 25.00 H new ATOM 0 HA GLU A 17 17.874 -3.418 -3.506 1.00 25.00 H new ATOM 0 HB2 GLU A 17 18.316 -4.188 -6.380 1.00 25.00 H new ATOM 0 HB3 GLU A 17 19.269 -2.815 -5.854 1.00 25.00 H new ATOM 0 HG2 GLU A 17 19.981 -4.158 -3.868 1.00 25.00 H new ATOM 0 HG3 GLU A 17 19.149 -5.536 -4.561 1.00 25.00 H new ATOM 254 N ASN A 18 16.461 -1.469 -5.731 1.00 25.00 N ATOM 255 CA ASN A 18 16.235 -0.073 -6.066 1.00 25.00 C ATOM 256 C ASN A 18 15.665 0.704 -4.929 1.00 25.00 C ATOM 257 O ASN A 18 15.717 1.907 -4.951 1.00 25.00 O ATOM 258 CB ASN A 18 15.278 0.028 -7.286 1.00 25.00 C ATOM 259 CG ASN A 18 15.510 1.284 -8.089 1.00 25.00 C ATOM 260 OD1 ASN A 18 16.398 2.069 -7.777 1.00 25.00 O ATOM 261 ND2 ASN A 18 14.717 1.509 -9.119 1.00 25.00 N ATOM 0 H ASN A 18 15.894 -2.133 -6.258 1.00 25.00 H new ATOM 0 HA ASN A 18 17.207 0.358 -6.306 1.00 25.00 H new ATOM 0 HB2 ASN A 18 15.417 -0.842 -7.928 1.00 25.00 H new ATOM 0 HB3 ASN A 18 14.245 0.006 -6.938 1.00 25.00 H new ATOM 0 HD21 ASN A 18 14.835 2.354 -9.678 1.00 25.00 H new ATOM 0 HD22 ASN A 18 13.986 0.838 -9.356 1.00 25.00 H new ATOM 268 N TYR A 19 15.138 0.005 -3.915 1.00 25.00 N ATOM 269 CA TYR A 19 14.598 0.683 -2.710 1.00 25.00 C ATOM 270 C TYR A 19 15.710 1.118 -1.744 1.00 25.00 C ATOM 271 O TYR A 19 15.536 2.001 -0.923 1.00 25.00 O ATOM 272 CB TYR A 19 13.650 -0.256 -1.951 1.00 25.00 C ATOM 273 CG TYR A 19 12.267 -0.474 -2.628 1.00 25.00 C ATOM 274 CD1 TYR A 19 11.203 0.426 -2.396 1.00 25.00 C ATOM 275 CD2 TYR A 19 12.045 -1.577 -3.515 1.00 25.00 C ATOM 276 CE1 TYR A 19 9.946 0.240 -3.010 1.00 25.00 C ATOM 277 CE2 TYR A 19 10.781 -1.791 -4.109 1.00 25.00 C ATOM 278 CZ TYR A 19 9.754 -0.874 -3.846 1.00 25.00 C ATOM 279 OH TYR A 19 8.520 -1.068 -4.386 1.00 25.00 O ATOM 0 H TYR A 19 15.070 -1.013 -3.895 1.00 25.00 H new ATOM 0 HA TYR A 19 14.068 1.568 -3.061 1.00 25.00 H new ATOM 0 HB2 TYR A 19 14.138 -1.224 -1.833 1.00 25.00 H new ATOM 0 HB3 TYR A 19 13.490 0.144 -0.950 1.00 25.00 H new ATOM 0 HD1 TYR A 19 11.354 1.269 -1.739 1.00 25.00 H new ATOM 0 HD2 TYR A 19 12.857 -2.255 -3.733 1.00 25.00 H new ATOM 0 HE1 TYR A 19 9.144 0.943 -2.840 1.00 25.00 H new ATOM 0 HE2 TYR A 19 10.610 -2.642 -4.751 1.00 25.00 H new ATOM 0 HH TYR A 19 8.530 -1.874 -4.943 1.00 25.00 H new ATOM 289 N CYS A 20 16.870 0.481 -1.917 1.00 25.00 N ATOM 290 CA CYS A 20 18.072 0.731 -1.113 1.00 25.00 C ATOM 291 C CYS A 20 19.326 0.987 -1.988 1.00 25.00 C ATOM 292 O CYS A 20 20.478 0.749 -1.581 1.00 25.00 O ATOM 293 CB CYS A 20 18.331 -0.455 -0.192 1.00 25.00 C ATOM 294 SG CYS A 20 18.582 -1.993 -1.098 1.00 25.00 S ATOM 0 H CYS A 20 17.005 -0.235 -2.631 1.00 25.00 H new ATOM 0 HA CYS A 20 17.888 1.633 -0.529 1.00 25.00 H new ATOM 0 HB2 CYS A 20 19.210 -0.250 0.420 1.00 25.00 H new ATOM 0 HB3 CYS A 20 17.488 -0.572 0.489 1.00 25.00 H new ATOM 299 N ASN A 21 19.135 1.544 -3.251 1.00 25.00 N ATOM 300 CA ASN A 21 20.292 1.937 -4.102 1.00 25.00 C ATOM 301 C ASN A 21 20.676 3.442 -3.947 1.00 25.00 C ATOM 302 O ASN A 21 21.755 3.928 -4.097 1.00 25.00 O ATOM 303 CB ASN A 21 19.981 1.557 -5.595 1.00 25.00 C ATOM 304 CG ASN A 21 20.286 0.081 -5.887 1.00 25.00 C ATOM 305 OD1 ASN A 21 21.014 -0.595 -5.224 1.00 25.00 O ATOM 306 ND2 ASN A 21 19.777 -0.461 -7.009 1.00 25.00 N ATOM 307 OXT ASN A 21 19.649 4.229 -3.780 1.00 25.00 O ATOM 0 H ASN A 21 18.221 1.717 -3.669 1.00 25.00 H new ATOM 0 HA ASN A 21 21.170 1.385 -3.766 1.00 25.00 H new ATOM 0 HB2 ASN A 21 18.932 1.760 -5.810 1.00 25.00 H new ATOM 0 HB3 ASN A 21 20.571 2.188 -6.260 1.00 25.00 H new ATOM 0 HD21 ASN A 21 20.017 -1.418 -7.267 1.00 25.00 H new ATOM 0 HD22 ASN A 21 19.151 0.085 -7.601 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 19.054 -15.352 -5.090 1.00 25.00 N ATOM 317 CA PHE B 31 17.731 -14.796 -4.732 1.00 25.00 C ATOM 318 C PHE B 31 16.568 -15.705 -5.177 1.00 25.00 C ATOM 319 O PHE B 31 16.646 -16.411 -6.186 1.00 25.00 O ATOM 320 CB PHE B 31 17.541 -13.413 -5.387 1.00 25.00 C ATOM 321 CG PHE B 31 16.401 -12.654 -4.766 1.00 25.00 C ATOM 322 CD1 PHE B 31 16.623 -11.875 -3.637 1.00 25.00 C ATOM 323 CD2 PHE B 31 15.108 -12.749 -5.296 1.00 25.00 C ATOM 324 CE1 PHE B 31 15.576 -11.179 -3.039 1.00 25.00 C ATOM 325 CE2 PHE B 31 14.062 -12.064 -4.664 1.00 25.00 C ATOM 326 CZ PHE B 31 14.303 -11.271 -3.552 1.00 25.00 C ATOM 0 HA PHE B 31 17.712 -14.718 -3.645 1.00 25.00 H new ATOM 0 HB2 PHE B 31 18.460 -12.835 -5.288 1.00 25.00 H new ATOM 0 HB3 PHE B 31 17.356 -13.538 -6.454 1.00 25.00 H new ATOM 0 HD1 PHE B 31 17.617 -11.809 -3.220 1.00 25.00 H new ATOM 0 HD2 PHE B 31 14.920 -13.342 -6.179 1.00 25.00 H new ATOM 0 HE1 PHE B 31 15.764 -10.565 -2.170 1.00 25.00 H new ATOM 0 HE2 PHE B 31 13.056 -12.155 -5.047 1.00 25.00 H new ATOM 0 HZ PHE B 31 13.493 -10.727 -3.090 1.00 25.00 H new ATOM 337 N VAL B 32 15.510 -15.708 -4.332 1.00 25.00 N ATOM 338 CA VAL B 32 14.267 -16.487 -4.561 1.00 25.00 C ATOM 339 C VAL B 32 13.096 -15.535 -4.740 1.00 25.00 C ATOM 340 O VAL B 32 12.824 -14.717 -3.870 1.00 25.00 O ATOM 341 CB VAL B 32 14.000 -17.518 -3.389 1.00 25.00 C ATOM 342 CG1 VAL B 32 14.154 -16.850 -1.962 1.00 25.00 C ATOM 343 CG2 VAL B 32 12.657 -18.202 -3.562 1.00 25.00 C ATOM 0 H VAL B 32 15.493 -15.167 -3.467 1.00 25.00 H new ATOM 0 HA VAL B 32 14.387 -17.074 -5.472 1.00 25.00 H new ATOM 0 HB VAL B 32 14.768 -18.289 -3.448 1.00 25.00 H new ATOM 0 HG11 VAL B 32 13.962 -17.594 -1.189 1.00 25.00 H new ATOM 0 HG12 VAL B 32 15.167 -16.463 -1.849 1.00 25.00 H new ATOM 0 HG13 VAL B 32 13.440 -16.032 -1.864 1.00 25.00 H new ATOM 0 HG21 VAL B 32 12.499 -18.905 -2.744 1.00 25.00 H new ATOM 0 HG22 VAL B 32 11.864 -17.454 -3.556 1.00 25.00 H new ATOM 0 HG23 VAL B 32 12.642 -18.740 -4.510 1.00 25.00 H new ATOM 353 N ASN B 33 12.478 -15.552 -5.924 1.00 25.00 N ATOM 354 CA ASN B 33 11.342 -14.656 -6.222 1.00 25.00 C ATOM 355 C ASN B 33 10.074 -15.296 -5.604 1.00 25.00 C ATOM 356 O ASN B 33 9.522 -16.259 -6.096 1.00 25.00 O ATOM 357 CB ASN B 33 11.236 -14.398 -7.761 1.00 25.00 C ATOM 358 CG ASN B 33 10.914 -15.660 -8.581 1.00 25.00 C ATOM 359 OD1 ASN B 33 11.484 -16.708 -8.407 1.00 25.00 O ATOM 360 ND2 ASN B 33 10.008 -15.510 -9.513 1.00 25.00 N ATOM 0 H ASN B 33 12.738 -16.170 -6.692 1.00 25.00 H new ATOM 0 HA ASN B 33 11.477 -13.669 -5.779 1.00 25.00 H new ATOM 0 HB2 ASN B 33 10.463 -13.651 -7.942 1.00 25.00 H new ATOM 0 HB3 ASN B 33 12.177 -13.976 -8.115 1.00 25.00 H new ATOM 0 HD21 ASN B 33 9.765 -16.294 -10.119 1.00 25.00 H new ATOM 0 HD22 ASN B 33 9.545 -14.609 -9.633 1.00 25.00 H new ATOM 367 N GLN B 34 9.646 -14.799 -4.433 1.00 25.00 N ATOM 368 CA GLN B 34 8.465 -15.344 -3.718 1.00 25.00 C ATOM 369 C GLN B 34 7.608 -14.190 -3.199 1.00 25.00 C ATOM 370 O GLN B 34 8.079 -13.073 -3.103 1.00 25.00 O ATOM 371 CB GLN B 34 8.944 -16.187 -2.558 1.00 25.00 C ATOM 372 CG GLN B 34 8.825 -17.705 -2.802 1.00 25.00 C ATOM 373 CD GLN B 34 7.393 -18.232 -2.710 1.00 25.00 C ATOM 374 OE1 GLN B 34 6.456 -17.503 -2.741 1.00 25.00 O ATOM 375 NE2 GLN B 34 7.235 -19.508 -2.605 1.00 25.00 N ATOM 0 H GLN B 34 10.097 -14.019 -3.955 1.00 25.00 H new ATOM 0 HA GLN B 34 7.868 -15.955 -4.395 1.00 25.00 H new ATOM 0 HB2 GLN B 34 9.985 -15.942 -2.349 1.00 25.00 H new ATOM 0 HB3 GLN B 34 8.370 -15.925 -1.669 1.00 25.00 H new ATOM 0 HG2 GLN B 34 9.226 -17.938 -3.789 1.00 25.00 H new ATOM 0 HG3 GLN B 34 9.444 -18.231 -2.074 1.00 25.00 H new ATOM 0 HE21 GLN B 34 8.049 -20.122 -2.580 1.00 25.00 H new ATOM 0 HE22 GLN B 34 6.296 -19.903 -2.547 1.00 25.00 H new ATOM 384 N HIS B 35 6.388 -14.508 -2.817 1.00 25.00 N ATOM 385 CA HIS B 35 5.465 -13.539 -2.164 1.00 25.00 C ATOM 386 C HIS B 35 5.806 -13.223 -0.693 1.00 25.00 C ATOM 387 O HIS B 35 5.112 -13.609 0.239 1.00 25.00 O ATOM 388 CB HIS B 35 4.037 -14.055 -2.147 1.00 25.00 C ATOM 389 CG HIS B 35 3.451 -14.232 -3.503 1.00 25.00 C ATOM 390 ND1 HIS B 35 2.899 -13.189 -4.235 1.00 25.00 N ATOM 391 CD2 HIS B 35 3.359 -15.330 -4.327 1.00 25.00 C ATOM 392 CE1 HIS B 35 2.496 -13.650 -5.433 1.00 25.00 C ATOM 393 NE2 HIS B 35 2.741 -14.939 -5.485 1.00 25.00 N ATOM 0 H HIS B 35 5.988 -15.438 -2.940 1.00 25.00 H new ATOM 0 HA HIS B 35 5.579 -12.638 -2.767 1.00 25.00 H new ATOM 0 HB2 HIS B 35 4.011 -15.010 -1.622 1.00 25.00 H new ATOM 0 HB3 HIS B 35 3.416 -13.362 -1.580 1.00 25.00 H new ATOM 0 HD1 HIS B 35 2.813 -12.224 -3.915 1.00 25.00 H new ATOM 0 HD2 HIS B 35 3.712 -16.325 -4.100 1.00 25.00 H new ATOM 0 HE1 HIS B 35 2.047 -13.060 -6.218 1.00 25.00 H new ATOM 402 N LEU B 36 6.935 -12.547 -0.503 1.00 25.00 N ATOM 403 CA LEU B 36 7.384 -12.110 0.816 1.00 25.00 C ATOM 404 C LEU B 36 6.432 -11.005 1.293 1.00 25.00 C ATOM 405 O LEU B 36 6.128 -10.088 0.563 1.00 25.00 O ATOM 406 CB LEU B 36 8.793 -11.572 0.751 1.00 25.00 C ATOM 407 CG LEU B 36 9.901 -12.601 1.030 1.00 25.00 C ATOM 408 CD1 LEU B 36 9.915 -13.704 0.014 1.00 25.00 C ATOM 409 CD2 LEU B 36 11.263 -11.870 1.110 1.00 25.00 C ATOM 0 H LEU B 36 7.566 -12.286 -1.261 1.00 25.00 H new ATOM 0 HA LEU B 36 7.378 -12.954 1.506 1.00 25.00 H new ATOM 0 HB2 LEU B 36 8.956 -11.145 -0.239 1.00 25.00 H new ATOM 0 HB3 LEU B 36 8.887 -10.757 1.469 1.00 25.00 H new ATOM 0 HG LEU B 36 9.701 -13.082 1.987 1.00 25.00 H new ATOM 0 HD11 LEU B 36 10.714 -14.407 0.251 1.00 25.00 H new ATOM 0 HD12 LEU B 36 8.957 -14.224 0.029 1.00 25.00 H new ATOM 0 HD13 LEU B 36 10.084 -13.283 -0.977 1.00 25.00 H new ATOM 0 HD21 LEU B 36 12.053 -12.594 1.308 1.00 25.00 H new ATOM 0 HD22 LEU B 36 11.461 -11.365 0.164 1.00 25.00 H new ATOM 0 HD23 LEU B 36 11.235 -11.135 1.914 1.00 25.00 H new ATOM 421 N CYS B 37 5.846 -11.170 2.495 1.00 25.00 N ATOM 422 CA CYS B 37 4.787 -10.300 2.976 1.00 25.00 C ATOM 423 C CYS B 37 5.012 -10.250 4.473 1.00 25.00 C ATOM 424 O CYS B 37 5.725 -11.061 5.044 1.00 25.00 O ATOM 425 CB CYS B 37 3.470 -10.976 2.619 1.00 25.00 C ATOM 426 SG CYS B 37 1.997 -9.937 2.704 1.00 25.00 S ATOM 0 H CYS B 37 6.101 -11.911 3.148 1.00 25.00 H new ATOM 0 HA CYS B 37 4.774 -9.295 2.555 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.552 -11.374 1.607 1.00 25.00 H new ATOM 0 HB3 CYS B 37 3.329 -11.827 3.286 1.00 25.00 H new ATOM 431 N GLY B 38 4.441 -9.247 5.154 1.00 25.00 N ATOM 432 CA GLY B 38 4.641 -9.119 6.591 1.00 25.00 C ATOM 433 C GLY B 38 6.055 -8.732 7.039 1.00 25.00 C ATOM 434 O GLY B 38 6.819 -8.111 6.260 1.00 25.00 O ATOM 0 H GLY B 38 3.849 -8.529 4.737 1.00 25.00 H new ATOM 0 HA2 GLY B 38 3.944 -8.372 6.970 1.00 25.00 H new ATOM 0 HA3 GLY B 38 4.379 -10.067 7.061 1.00 25.00 H new ATOM 438 N SER B 39 6.432 -9.175 8.245 1.00 25.00 N ATOM 439 CA SER B 39 7.789 -9.013 8.811 1.00 25.00 C ATOM 440 C SER B 39 8.846 -9.661 7.971 1.00 25.00 C ATOM 441 O SER B 39 9.936 -9.149 7.875 1.00 25.00 O ATOM 442 CB SER B 39 7.790 -9.593 10.240 1.00 25.00 C ATOM 443 OG SER B 39 7.385 -10.982 10.273 1.00 25.00 O ATOM 0 H SER B 39 5.794 -9.666 8.871 1.00 25.00 H new ATOM 0 HA SER B 39 8.033 -7.951 8.831 1.00 25.00 H new ATOM 0 HB2 SER B 39 8.789 -9.499 10.667 1.00 25.00 H new ATOM 0 HB3 SER B 39 7.119 -9.007 10.867 1.00 25.00 H new ATOM 0 HG SER B 39 7.403 -11.306 11.198 1.00 25.00 H new ATOM 449 N HIS B 40 8.555 -10.783 7.320 1.00 25.00 N ATOM 450 CA HIS B 40 9.592 -11.467 6.501 1.00 25.00 C ATOM 451 C HIS B 40 10.126 -10.522 5.420 1.00 25.00 C ATOM 452 O HIS B 40 11.316 -10.459 5.231 1.00 25.00 O ATOM 453 CB HIS B 40 9.061 -12.727 5.832 1.00 25.00 C ATOM 454 CG HIS B 40 9.148 -13.935 6.713 1.00 25.00 C ATOM 455 ND1 HIS B 40 9.364 -15.226 6.210 1.00 25.00 N ATOM 456 CD2 HIS B 40 9.055 -14.091 8.062 1.00 25.00 C ATOM 457 CE1 HIS B 40 9.398 -16.072 7.216 1.00 25.00 C ATOM 458 NE2 HIS B 40 9.196 -15.409 8.332 1.00 25.00 N ATOM 0 H HIS B 40 7.643 -11.240 7.331 1.00 25.00 H new ATOM 0 HA HIS B 40 10.392 -11.753 7.184 1.00 25.00 H new ATOM 0 HB2 HIS B 40 8.022 -12.569 5.543 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.623 -12.910 4.916 1.00 25.00 H new ATOM 0 HD2 HIS B 40 8.897 -13.305 8.786 1.00 25.00 H new ATOM 0 HE1 HIS B 40 9.564 -17.136 7.138 1.00 25.00 H new ATOM 0 HE2 HIS B 40 9.152 -15.825 9.262 1.00 25.00 H new ATOM 467 N LEU B 41 9.249 -9.799 4.731 1.00 25.00 N ATOM 468 CA LEU B 41 9.672 -8.903 3.689 1.00 25.00 C ATOM 469 C LEU B 41 10.664 -7.826 4.185 1.00 25.00 C ATOM 470 O LEU B 41 11.701 -7.596 3.575 1.00 25.00 O ATOM 471 CB LEU B 41 8.468 -8.195 3.080 1.00 25.00 C ATOM 472 CG LEU B 41 8.816 -7.168 1.986 1.00 25.00 C ATOM 473 CD1 LEU B 41 9.280 -7.783 0.695 1.00 25.00 C ATOM 474 CD2 LEU B 41 7.540 -6.356 1.738 1.00 25.00 C ATOM 0 H LEU B 41 8.241 -9.824 4.885 1.00 25.00 H new ATOM 0 HA LEU B 41 10.180 -9.520 2.948 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.798 -8.944 2.658 1.00 25.00 H new ATOM 0 HB3 LEU B 41 7.920 -7.689 3.875 1.00 25.00 H new ATOM 0 HG LEU B 41 9.652 -6.560 2.332 1.00 25.00 H new ATOM 0 HD11 LEU B 41 9.505 -6.995 -0.023 1.00 25.00 H new ATOM 0 HD12 LEU B 41 10.177 -8.376 0.876 1.00 25.00 H new ATOM 0 HD13 LEU B 41 8.495 -8.425 0.295 1.00 25.00 H new ATOM 0 HD21 LEU B 41 7.728 -5.608 0.967 1.00 25.00 H new ATOM 0 HD22 LEU B 41 6.743 -7.023 1.410 1.00 25.00 H new ATOM 0 HD23 LEU B 41 7.240 -5.859 2.660 1.00 25.00 H new ATOM 486 N VAL B 42 10.322 -7.144 5.258 1.00 25.00 N ATOM 487 CA VAL B 42 11.190 -6.048 5.726 1.00 25.00 C ATOM 488 C VAL B 42 12.438 -6.598 6.398 1.00 25.00 C ATOM 489 O VAL B 42 13.438 -5.956 6.480 1.00 25.00 O ATOM 490 CB VAL B 42 10.486 -5.064 6.683 1.00 25.00 C ATOM 491 CG1 VAL B 42 9.280 -4.463 6.023 1.00 25.00 C ATOM 492 CG2 VAL B 42 10.100 -5.736 7.981 1.00 25.00 C ATOM 0 H VAL B 42 9.484 -7.308 5.815 1.00 25.00 H new ATOM 0 HA VAL B 42 11.459 -5.487 4.831 1.00 25.00 H new ATOM 0 HB VAL B 42 11.191 -4.267 6.919 1.00 25.00 H new ATOM 0 HG11 VAL B 42 8.795 -3.771 6.712 1.00 25.00 H new ATOM 0 HG12 VAL B 42 9.586 -3.926 5.125 1.00 25.00 H new ATOM 0 HG13 VAL B 42 8.581 -5.254 5.752 1.00 25.00 H new ATOM 0 HG21 VAL B 42 9.606 -5.014 8.632 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.420 -6.563 7.775 1.00 25.00 H new ATOM 0 HG23 VAL B 42 10.995 -6.116 8.474 1.00 25.00 H new ATOM 502 N GLU B 43 12.363 -7.817 6.877 1.00 25.00 N ATOM 503 CA GLU B 43 13.533 -8.480 7.514 1.00 25.00 C ATOM 504 C GLU B 43 14.517 -8.911 6.408 1.00 25.00 C ATOM 505 O GLU B 43 15.709 -8.808 6.626 1.00 25.00 O ATOM 506 CB GLU B 43 13.123 -9.665 8.405 1.00 25.00 C ATOM 507 CG GLU B 43 14.281 -10.220 9.259 1.00 25.00 C ATOM 508 CD GLU B 43 13.914 -11.456 10.073 1.00 25.00 C ATOM 509 OE1 GLU B 43 12.963 -12.134 9.871 1.00 25.00 O ATOM 510 OE2 GLU B 43 14.763 -11.737 11.053 1.00 25.00 O ATOM 0 H GLU B 43 11.518 -8.388 6.850 1.00 25.00 H new ATOM 0 HA GLU B 43 14.021 -7.769 8.180 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.314 -9.351 9.064 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.730 -10.464 7.776 1.00 25.00 H new ATOM 0 HG2 GLU B 43 15.117 -10.464 8.604 1.00 25.00 H new ATOM 0 HG3 GLU B 43 14.625 -9.439 9.938 1.00 25.00 H new ATOM 518 N ALA B 44 14.018 -9.357 5.258 1.00 25.00 N ATOM 519 CA ALA B 44 14.895 -9.719 4.161 1.00 25.00 C ATOM 520 C ALA B 44 15.616 -8.479 3.648 1.00 25.00 C ATOM 521 O ALA B 44 16.815 -8.480 3.371 1.00 25.00 O ATOM 522 CB ALA B 44 14.100 -10.363 2.991 1.00 25.00 C ATOM 0 H ALA B 44 13.023 -9.474 5.068 1.00 25.00 H new ATOM 0 HA ALA B 44 15.616 -10.447 4.534 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.786 -10.623 2.185 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.598 -11.263 3.345 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.358 -9.655 2.622 1.00 25.00 H new ATOM 528 N LEU B 45 14.813 -7.393 3.513 1.00 25.00 N ATOM 529 CA LEU B 45 15.350 -6.139 3.062 1.00 25.00 C ATOM 530 C LEU B 45 16.358 -5.591 4.073 1.00 25.00 C ATOM 531 O LEU B 45 17.436 -5.139 3.686 1.00 25.00 O ATOM 532 CB LEU B 45 14.255 -5.121 2.782 1.00 25.00 C ATOM 533 CG LEU B 45 14.550 -4.028 1.734 1.00 25.00 C ATOM 534 CD1 LEU B 45 13.280 -3.591 1.023 1.00 25.00 C ATOM 535 CD2 LEU B 45 15.234 -2.868 2.311 1.00 25.00 C ATOM 0 H LEU B 45 13.813 -7.385 3.713 1.00 25.00 H new ATOM 0 HA LEU B 45 15.867 -6.323 2.120 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.366 -5.663 2.461 1.00 25.00 H new ATOM 0 HB3 LEU B 45 14.006 -4.628 3.722 1.00 25.00 H new ATOM 0 HG LEU B 45 15.225 -4.475 1.004 1.00 25.00 H new ATOM 0 HD11 LEU B 45 13.520 -2.820 0.291 1.00 25.00 H new ATOM 0 HD12 LEU B 45 12.834 -4.447 0.516 1.00 25.00 H new ATOM 0 HD13 LEU B 45 12.574 -3.192 1.751 1.00 25.00 H new ATOM 0 HD21 LEU B 45 15.418 -2.129 1.531 1.00 25.00 H new ATOM 0 HD22 LEU B 45 14.610 -2.427 3.089 1.00 25.00 H new ATOM 0 HD23 LEU B 45 16.184 -3.183 2.743 1.00 25.00 H new ATOM 547 N TYR B 46 16.125 -5.759 5.366 1.00 25.00 N ATOM 548 CA TYR B 46 17.131 -5.369 6.366 1.00 25.00 C ATOM 549 C TYR B 46 18.463 -6.126 6.249 1.00 25.00 C ATOM 550 O TYR B 46 19.529 -5.515 6.347 1.00 25.00 O ATOM 551 CB TYR B 46 16.529 -5.563 7.775 1.00 25.00 C ATOM 552 CG TYR B 46 17.572 -5.609 8.848 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.215 -4.433 9.264 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.005 -6.828 9.414 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.272 -4.425 10.257 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.073 -6.885 10.360 1.00 25.00 C ATOM 557 CZ TYR B 46 19.709 -5.674 10.769 1.00 25.00 C ATOM 558 OH TYR B 46 20.771 -5.716 11.661 1.00 25.00 O ATOM 0 H TYR B 46 15.267 -6.155 5.751 1.00 25.00 H new ATOM 0 HA TYR B 46 17.376 -4.323 6.181 1.00 25.00 H new ATOM 0 HB2 TYR B 46 15.834 -4.749 7.984 1.00 25.00 H new ATOM 0 HB3 TYR B 46 15.952 -6.488 7.795 1.00 25.00 H new ATOM 0 HD1 TYR B 46 17.910 -3.494 8.826 1.00 25.00 H new ATOM 0 HD2 TYR B 46 17.514 -7.745 9.123 1.00 25.00 H new ATOM 0 HE1 TYR B 46 19.712 -3.499 10.596 1.00 25.00 H new ATOM 0 HE2 TYR B 46 19.396 -7.834 10.762 1.00 25.00 H new ATOM 0 HH TYR B 46 20.946 -6.645 11.918 1.00 25.00 H new ATOM 568 N LEU B 47 18.362 -7.446 6.098 1.00 25.00 N ATOM 569 CA LEU B 47 19.544 -8.280 5.989 1.00 25.00 C ATOM 570 C LEU B 47 20.374 -7.946 4.736 1.00 25.00 C ATOM 571 O LEU B 47 21.598 -7.928 4.810 1.00 25.00 O ATOM 572 CB LEU B 47 19.144 -9.735 5.972 1.00 25.00 C ATOM 573 CG LEU B 47 18.613 -10.344 7.280 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.851 -11.572 6.922 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.702 -10.643 8.354 1.00 25.00 C ATOM 0 H LEU B 47 17.478 -7.952 6.049 1.00 25.00 H new ATOM 0 HA LEU B 47 20.171 -8.080 6.858 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.379 -9.864 5.207 1.00 25.00 H new ATOM 0 HB3 LEU B 47 20.010 -10.318 5.658 1.00 25.00 H new ATOM 0 HG LEU B 47 17.976 -9.602 7.761 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.458 -12.033 7.828 1.00 25.00 H new ATOM 0 HD12 LEU B 47 17.025 -11.308 6.261 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.511 -12.275 6.414 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.232 -11.070 9.240 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.426 -11.351 7.951 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.211 -9.718 8.624 1.00 25.00 H new ATOM 587 N VAL B 48 19.719 -7.657 3.614 1.00 25.00 N ATOM 588 CA VAL B 48 20.433 -7.334 2.381 1.00 25.00 C ATOM 589 C VAL B 48 20.864 -5.850 2.243 1.00 25.00 C ATOM 590 O VAL B 48 21.963 -5.554 1.781 1.00 25.00 O ATOM 591 CB VAL B 48 19.635 -7.843 1.120 1.00 25.00 C ATOM 592 CG1 VAL B 48 18.360 -7.055 0.860 1.00 25.00 C ATOM 593 CG2 VAL B 48 20.515 -7.821 -0.118 1.00 25.00 C ATOM 0 H VAL B 48 18.702 -7.640 3.533 1.00 25.00 H new ATOM 0 HA VAL B 48 21.376 -7.877 2.440 1.00 25.00 H new ATOM 0 HB VAL B 48 19.339 -8.868 1.343 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.858 -7.455 -0.021 1.00 25.00 H new ATOM 0 HG12 VAL B 48 17.699 -7.137 1.723 1.00 25.00 H new ATOM 0 HG13 VAL B 48 18.608 -6.007 0.691 1.00 25.00 H new ATOM 0 HG21 VAL B 48 19.945 -8.176 -0.976 1.00 25.00 H new ATOM 0 HG22 VAL B 48 20.855 -6.802 -0.305 1.00 25.00 H new ATOM 0 HG23 VAL B 48 21.378 -8.469 0.037 1.00 25.00 H new ATOM 603 N CYS B 49 20.038 -4.919 2.692 1.00 25.00 N ATOM 604 CA CYS B 49 20.414 -3.487 2.684 1.00 25.00 C ATOM 605 C CYS B 49 19.458 -2.695 3.567 1.00 25.00 C ATOM 606 O CYS B 49 18.678 -1.913 3.103 1.00 25.00 O ATOM 607 CB CYS B 49 20.336 -2.920 1.228 1.00 25.00 C ATOM 608 SG CYS B 49 18.774 -3.401 0.394 1.00 25.00 S ATOM 0 H CYS B 49 19.109 -5.111 3.066 1.00 25.00 H new ATOM 0 HA CYS B 49 21.432 -3.394 3.062 1.00 25.00 H new ATOM 0 HB2 CYS B 49 20.413 -1.833 1.256 1.00 25.00 H new ATOM 0 HB3 CYS B 49 21.185 -3.285 0.650 1.00 25.00 H new ATOM 613 N GLY B 50 19.555 -2.857 4.904 1.00 25.00 N ATOM 614 CA GLY B 50 18.649 -2.099 5.788 1.00 25.00 C ATOM 615 C GLY B 50 18.803 -0.553 5.829 1.00 25.00 C ATOM 616 O GLY B 50 18.111 0.158 5.153 1.00 25.00 O ATOM 0 H GLY B 50 20.217 -3.474 5.376 1.00 25.00 H new ATOM 0 HA2 GLY B 50 17.625 -2.326 5.492 1.00 25.00 H new ATOM 0 HA3 GLY B 50 18.778 -2.476 6.803 1.00 25.00 H new ATOM 620 N GLU B 51 19.664 -0.051 6.713 1.00 25.00 N ATOM 621 CA GLU B 51 19.980 1.378 6.801 1.00 25.00 C ATOM 622 C GLU B 51 18.805 2.392 6.906 1.00 25.00 C ATOM 623 O GLU B 51 19.012 3.592 6.663 1.00 25.00 O ATOM 624 CB GLU B 51 20.842 1.730 5.616 1.00 25.00 C ATOM 625 CG GLU B 51 22.063 0.835 5.330 1.00 25.00 C ATOM 626 CD GLU B 51 23.217 1.126 6.284 1.00 25.00 C ATOM 627 OE1 GLU B 51 23.123 1.319 7.470 1.00 25.00 O ATOM 628 OE2 GLU B 51 24.355 1.119 5.724 1.00 25.00 O ATOM 0 H GLU B 51 20.165 -0.624 7.392 1.00 25.00 H new ATOM 0 HA GLU B 51 20.474 1.489 7.766 1.00 25.00 H new ATOM 0 HB2 GLU B 51 20.209 1.729 4.728 1.00 25.00 H new ATOM 0 HB3 GLU B 51 21.199 2.751 5.752 1.00 25.00 H new ATOM 0 HG2 GLU B 51 21.774 -0.212 5.418 1.00 25.00 H new ATOM 0 HG3 GLU B 51 22.393 0.989 4.303 1.00 25.00 H new ATOM 636 N GLN B 52 17.610 1.932 7.260 1.00 25.00 N ATOM 637 CA GLN B 52 16.431 2.802 7.328 1.00 25.00 C ATOM 638 C GLN B 52 15.651 2.810 8.658 1.00 25.00 C ATOM 639 O GLN B 52 14.759 3.591 8.857 1.00 25.00 O ATOM 640 CB GLN B 52 15.475 2.439 6.204 1.00 25.00 C ATOM 641 CG GLN B 52 15.985 2.772 4.832 1.00 25.00 C ATOM 642 CD GLN B 52 15.056 2.285 3.762 1.00 25.00 C ATOM 643 OE1 GLN B 52 15.125 1.150 3.337 1.00 25.00 O ATOM 644 NE2 GLN B 52 14.161 3.137 3.327 1.00 25.00 N ATOM 0 H GLN B 52 17.427 0.959 7.506 1.00 25.00 H new ATOM 0 HA GLN B 52 16.835 3.810 7.235 1.00 25.00 H new ATOM 0 HB2 GLN B 52 15.264 1.371 6.252 1.00 25.00 H new ATOM 0 HB3 GLN B 52 14.530 2.958 6.364 1.00 25.00 H new ATOM 0 HG2 GLN B 52 16.110 3.851 4.742 1.00 25.00 H new ATOM 0 HG3 GLN B 52 16.969 2.325 4.691 1.00 25.00 H new ATOM 0 HE21 GLN B 52 14.131 4.083 3.706 1.00 25.00 H new ATOM 0 HE22 GLN B 52 13.494 2.854 2.609 1.00 25.00 H new ATOM 653 N GLY B 53 16.013 1.923 9.564 1.00 25.00 N ATOM 654 CA GLY B 53 15.376 1.902 10.864 1.00 25.00 C ATOM 655 C GLY B 53 14.231 0.921 10.908 1.00 25.00 C ATOM 656 O GLY B 53 13.210 1.217 11.501 1.00 25.00 O ATOM 0 H GLY B 53 16.735 1.216 9.426 1.00 25.00 H new ATOM 0 HA2 GLY B 53 16.111 1.638 11.625 1.00 25.00 H new ATOM 0 HA3 GLY B 53 15.010 2.900 11.106 1.00 25.00 H new ATOM 660 N PHE B 54 14.378 -0.232 10.281 1.00 25.00 N ATOM 661 CA PHE B 54 13.320 -1.279 10.298 1.00 25.00 C ATOM 662 C PHE B 54 13.193 -1.957 11.652 1.00 25.00 C ATOM 663 O PHE B 54 12.141 -2.474 11.971 1.00 25.00 O ATOM 664 CB PHE B 54 13.601 -2.410 9.288 1.00 25.00 C ATOM 665 CG PHE B 54 13.551 -1.975 7.829 1.00 25.00 C ATOM 666 CD1 PHE B 54 12.328 -1.572 7.238 1.00 25.00 C ATOM 667 CD2 PHE B 54 14.738 -1.975 7.030 1.00 25.00 C ATOM 668 CE1 PHE B 54 12.297 -1.134 5.893 1.00 25.00 C ATOM 669 CE2 PHE B 54 14.722 -1.541 5.701 1.00 25.00 C ATOM 670 CZ PHE B 54 13.466 -1.095 5.136 1.00 25.00 C ATOM 0 H PHE B 54 15.210 -0.486 9.749 1.00 25.00 H new ATOM 0 HA PHE B 54 12.406 -0.741 10.044 1.00 25.00 H new ATOM 0 HB2 PHE B 54 14.585 -2.831 9.496 1.00 25.00 H new ATOM 0 HB3 PHE B 54 12.874 -3.208 9.442 1.00 25.00 H new ATOM 0 HD1 PHE B 54 11.416 -1.599 7.816 1.00 25.00 H new ATOM 0 HD2 PHE B 54 15.666 -2.318 7.463 1.00 25.00 H new ATOM 0 HE1 PHE B 54 11.361 -0.828 5.450 1.00 25.00 H new ATOM 0 HE2 PHE B 54 15.626 -1.539 5.110 1.00 25.00 H new ATOM 0 HZ PHE B 54 13.435 -0.729 4.120 1.00 25.00 H new ATOM 680 N PHE B 55 14.272 -1.867 12.425 1.00 25.00 N ATOM 681 CA PHE B 55 14.317 -2.275 13.843 1.00 25.00 C ATOM 682 C PHE B 55 13.523 -3.514 14.322 1.00 25.00 C ATOM 683 O PHE B 55 12.393 -3.415 14.789 1.00 25.00 O ATOM 684 CB PHE B 55 13.987 -1.054 14.671 1.00 25.00 C ATOM 685 CG PHE B 55 14.152 -1.228 16.123 1.00 25.00 C ATOM 686 CD1 PHE B 55 15.408 -1.043 16.739 1.00 25.00 C ATOM 687 CD2 PHE B 55 13.008 -1.411 16.929 1.00 25.00 C ATOM 688 CE1 PHE B 55 15.538 -1.040 18.149 1.00 25.00 C ATOM 689 CE2 PHE B 55 13.132 -1.405 18.337 1.00 25.00 C ATOM 690 CZ PHE B 55 14.384 -1.226 18.954 1.00 25.00 C ATOM 0 H PHE B 55 15.162 -1.502 12.085 1.00 25.00 H new ATOM 0 HA PHE B 55 15.330 -2.652 13.980 1.00 25.00 H new ATOM 0 HB2 PHE B 55 14.620 -0.229 14.344 1.00 25.00 H new ATOM 0 HB3 PHE B 55 12.956 -0.764 14.469 1.00 25.00 H new ATOM 0 HD1 PHE B 55 16.285 -0.901 16.125 1.00 25.00 H new ATOM 0 HD2 PHE B 55 12.041 -1.555 16.471 1.00 25.00 H new ATOM 0 HE1 PHE B 55 16.506 -0.898 18.607 1.00 25.00 H new ATOM 0 HE2 PHE B 55 12.252 -1.540 18.949 1.00 25.00 H new ATOM 0 HZ PHE B 55 14.466 -1.230 20.031 1.00 25.00 H new ATOM 700 N TYR B 56 14.165 -4.683 14.254 1.00 25.00 N ATOM 701 CA TYR B 56 13.520 -5.913 14.726 1.00 25.00 C ATOM 702 C TYR B 56 14.206 -6.388 16.013 1.00 25.00 C ATOM 703 O TYR B 56 15.386 -6.742 16.040 1.00 25.00 O ATOM 704 CB TYR B 56 13.622 -6.991 13.648 1.00 25.00 C ATOM 705 CG TYR B 56 13.111 -8.375 14.021 1.00 25.00 C ATOM 706 CD1 TYR B 56 11.771 -8.585 14.317 1.00 25.00 C ATOM 707 CD2 TYR B 56 13.983 -9.503 14.064 1.00 25.00 C ATOM 708 CE1 TYR B 56 11.315 -9.841 14.711 1.00 25.00 C ATOM 709 CE2 TYR B 56 13.508 -10.758 14.426 1.00 25.00 C ATOM 710 CZ TYR B 56 12.176 -10.939 14.775 1.00 25.00 C ATOM 711 OH TYR B 56 11.636 -12.144 15.133 1.00 25.00 O ATOM 0 H TYR B 56 15.109 -4.805 13.886 1.00 25.00 H new ATOM 0 HA TYR B 56 12.468 -5.718 14.934 1.00 25.00 H new ATOM 0 HB2 TYR B 56 13.072 -6.649 12.771 1.00 25.00 H new ATOM 0 HB3 TYR B 56 14.668 -7.081 13.354 1.00 25.00 H new ATOM 0 HD1 TYR B 56 11.073 -7.764 14.241 1.00 25.00 H new ATOM 0 HD2 TYR B 56 15.026 -9.380 13.812 1.00 25.00 H new ATOM 0 HE1 TYR B 56 10.275 -9.968 14.972 1.00 25.00 H new ATOM 0 HE2 TYR B 56 14.182 -11.602 14.436 1.00 25.00 H new ATOM 0 HH TYR B 56 12.338 -12.828 15.140 1.00 25.00 H new ATOM 721 N THR B 57 13.460 -6.321 17.105 1.00 25.00 N ATOM 722 CA THR B 57 13.918 -6.747 18.426 1.00 25.00 C ATOM 723 C THR B 57 12.814 -7.653 19.074 1.00 25.00 C ATOM 724 O THR B 57 11.844 -7.171 19.678 1.00 25.00 O ATOM 725 CB THR B 57 14.130 -5.484 19.322 1.00 25.00 C ATOM 726 OG1 THR B 57 14.994 -4.571 18.672 1.00 25.00 O ATOM 727 CG2 THR B 57 14.757 -5.833 20.657 1.00 25.00 C ATOM 0 H THR B 57 12.504 -5.964 17.102 1.00 25.00 H new ATOM 0 HA THR B 57 14.853 -7.300 18.338 1.00 25.00 H new ATOM 0 HB THR B 57 13.145 -5.048 19.490 1.00 25.00 H new ATOM 0 HG1 THR B 57 14.694 -3.655 18.848 1.00 25.00 H new ATOM 0 HG21 THR B 57 14.886 -4.925 21.247 1.00 25.00 H new ATOM 0 HG22 THR B 57 14.108 -6.525 21.194 1.00 25.00 H new ATOM 0 HG23 THR B 57 15.728 -6.299 20.492 1.00 25.00 H new ATOM 735 N PRO B 58 12.897 -9.002 18.891 1.00 25.00 N ATOM 736 CA PRO B 58 11.836 -9.909 19.389 1.00 25.00 C ATOM 737 C PRO B 58 11.889 -10.116 20.892 1.00 25.00 C ATOM 738 O PRO B 58 12.883 -9.842 21.539 1.00 25.00 O ATOM 739 CB PRO B 58 12.139 -11.227 18.659 1.00 25.00 C ATOM 740 CG PRO B 58 13.585 -11.229 18.475 1.00 25.00 C ATOM 741 CD PRO B 58 13.928 -9.772 18.153 1.00 25.00 C ATOM 0 HA PRO B 58 10.840 -9.508 19.201 1.00 25.00 H new ATOM 0 HB2 PRO B 58 11.814 -12.087 19.245 1.00 25.00 H new ATOM 0 HB3 PRO B 58 11.619 -11.278 17.702 1.00 25.00 H new ATOM 0 HG2 PRO B 58 14.100 -11.570 19.373 1.00 25.00 H new ATOM 0 HG3 PRO B 58 13.882 -11.896 17.665 1.00 25.00 H new ATOM 0 HD2 PRO B 58 14.934 -9.514 18.483 1.00 25.00 H new ATOM 0 HD3 PRO B 58 13.884 -9.577 17.082 1.00 25.00 H new ATOM 749 N LYS B 59 10.847 -10.758 21.419 1.00 25.00 N ATOM 750 CA LYS B 59 10.794 -11.204 22.846 1.00 25.00 C ATOM 751 C LYS B 59 10.539 -12.720 22.793 1.00 25.00 C ATOM 752 O LYS B 59 9.517 -13.123 22.320 1.00 25.00 O ATOM 753 CB LYS B 59 9.549 -10.539 23.528 1.00 25.00 C ATOM 754 CG LYS B 59 9.398 -10.867 25.014 1.00 25.00 C ATOM 755 CD LYS B 59 7.993 -10.673 25.465 1.00 25.00 C ATOM 756 CE LYS B 59 7.574 -9.214 25.348 1.00 25.00 C ATOM 757 NZ LYS B 59 6.194 -8.975 25.851 1.00 25.00 N ATOM 0 H LYS B 59 10.009 -10.992 20.886 1.00 25.00 H new ATOM 0 HA LYS B 59 11.703 -10.945 23.390 1.00 25.00 H new ATOM 0 HB2 LYS B 59 9.620 -9.458 23.412 1.00 25.00 H new ATOM 0 HB3 LYS B 59 8.648 -10.858 23.004 1.00 25.00 H new ATOM 0 HG2 LYS B 59 9.702 -11.898 25.195 1.00 25.00 H new ATOM 0 HG3 LYS B 59 10.062 -10.231 25.599 1.00 25.00 H new ATOM 0 HD2 LYS B 59 7.327 -11.295 24.866 1.00 25.00 H new ATOM 0 HD3 LYS B 59 7.892 -11.001 26.499 1.00 25.00 H new ATOM 0 HE2 LYS B 59 8.274 -8.593 25.907 1.00 25.00 H new ATOM 0 HE3 LYS B 59 7.636 -8.904 24.305 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 5.957 -7.967 25.749 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 5.521 -9.546 25.302 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 6.139 -9.244 26.854 1.00 25.00 H new ATOM 771 N THR B 60 11.445 -13.465 23.409 1.00 25.00 N ATOM 772 CA THR B 60 11.363 -14.987 23.485 1.00 25.00 C ATOM 773 C THR B 60 10.916 -15.453 24.857 1.00 25.00 C ATOM 774 O THR B 60 11.141 -14.868 25.897 1.00 25.00 O ATOM 775 CB THR B 60 12.698 -15.714 23.059 1.00 25.00 C ATOM 776 OG1 THR B 60 12.521 -17.122 22.975 1.00 25.00 O ATOM 777 CG2 THR B 60 13.825 -15.370 23.976 1.00 25.00 C ATOM 778 OXT THR B 60 10.155 -16.514 24.804 1.00 25.00 O ATOM 0 H THR B 60 12.263 -13.075 23.877 1.00 25.00 H new ATOM 0 HA THR B 60 10.607 -15.274 22.754 1.00 25.00 H new ATOM 0 HB THR B 60 12.958 -15.353 22.064 1.00 25.00 H new ATOM 0 HG1 THR B 60 13.365 -17.542 22.708 1.00 25.00 H new ATOM 0 HG21 THR B 60 14.728 -15.888 23.653 1.00 25.00 H new ATOM 0 HG22 THR B 60 13.996 -14.294 23.954 1.00 25.00 H new ATOM 0 HG23 THR B 60 13.574 -15.677 24.991 1.00 25.00 H new TER 787 THR B 60