USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 922 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.444 (180deg=-0.148) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 11 THR OG1 : rot -87:sc= -0.635 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 29 GLN : amide:sc= -0.0466 K(o=-0.047,f=-2.8!) USER MOD Single : A 35 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.31) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.00899 USER MOD Single : A 43 HIS : no HD1:sc= -0.205 K(o=-0.2,f=-3.7!) USER MOD Single : A 48 TYR OH : rot 122:sc= 1.09 USER MOD Single : A 49 GLN : amide:sc= -0.071 K(o=-0.071,f=-1.3!) USER MOD Single : A 52 GLN : amide:sc= -1.44 K(o=-1.4,f=-5.8!) USER MOD Single : A 55 LYS NZ :NH3+ -115:sc= -0.0115 (180deg=-0.0887) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -115:sc= 0.381 (180deg=-0.151) USER MOD Single : B 5 THR OG1 : rot 84:sc= 0.129 USER MOD Single : B 11 THR OG1 : rot 180:sc= -1.14 USER MOD Single : B 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : B 29 GLN : amide:sc= -0.023 K(o=-0.023,f=-2.7!) USER MOD Single : B 35 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.3) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 SER OG : rot 180:sc= 0.00487 USER MOD Single : B 43 HIS : no HD1:sc= -0.199 K(o=-0.2,f=-3.8!) USER MOD Single : B 48 TYR OH : rot 124:sc= 1.12 USER MOD Single : B 49 GLN : amide:sc= -0.0348 K(o=-0.035,f=-1.3!) USER MOD Single : B 52 GLN : amide:sc= -1.46 K(o=-1.5,f=-5.8!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.583 -10.138 -6.912 1.00 0.00 N ATOM 2 CA MET A 1 -1.465 -9.827 -5.463 1.00 0.00 C ATOM 3 C MET A 1 -0.027 -9.987 -4.981 1.00 0.00 C ATOM 4 O MET A 1 0.611 -11.011 -5.225 1.00 0.00 O ATOM 5 CB MET A 1 -2.389 -10.767 -4.687 1.00 0.00 C ATOM 6 CG MET A 1 -2.161 -12.238 -4.996 1.00 0.00 C ATOM 7 SD MET A 1 -3.347 -12.890 -6.188 1.00 0.00 S ATOM 8 CE MET A 1 -2.502 -14.373 -6.729 1.00 0.00 C ATOM 0 H1 MET A 1 -2.017 -9.332 -7.406 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.638 -10.318 -7.307 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.177 -10.982 -7.039 1.00 0.00 H new ATOM 0 HA MET A 1 -1.755 -8.790 -5.294 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.247 -10.603 -3.619 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.425 -10.513 -4.913 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.151 -12.371 -5.384 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.226 -12.813 -4.073 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.112 -14.889 -7.471 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.543 -14.104 -7.171 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.337 -15.030 -5.875 1.00 0.00 H new ATOM 20 N LEU A 2 0.479 -8.967 -4.294 1.00 0.00 N ATOM 21 CA LEU A 2 1.843 -8.996 -3.777 1.00 0.00 C ATOM 22 C LEU A 2 1.853 -8.831 -2.260 1.00 0.00 C ATOM 23 O LEU A 2 1.521 -7.766 -1.741 1.00 0.00 O ATOM 24 CB LEU A 2 2.678 -7.890 -4.425 1.00 0.00 C ATOM 25 CG LEU A 2 4.144 -8.249 -4.677 1.00 0.00 C ATOM 26 CD1 LEU A 2 4.247 -9.465 -5.584 1.00 0.00 C ATOM 27 CD2 LEU A 2 4.884 -7.066 -5.284 1.00 0.00 C ATOM 0 H LEU A 2 -0.034 -8.111 -4.083 1.00 0.00 H new ATOM 0 HA LEU A 2 2.278 -9.965 -4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.218 -7.618 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.640 -7.007 -3.788 1.00 0.00 H new ATOM 0 HG LEU A 2 4.609 -8.493 -3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 2 5.297 -9.706 -5.752 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.751 -10.314 -5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.767 -9.249 -6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.925 -7.338 -5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.418 -6.792 -6.231 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.839 -6.219 -4.600 1.00 0.00 H new ATOM 39 N ILE A 3 2.241 -9.889 -1.553 1.00 0.00 N ATOM 40 CA ILE A 3 2.297 -9.848 -0.097 1.00 0.00 C ATOM 41 C ILE A 3 3.727 -9.617 0.384 1.00 0.00 C ATOM 42 O ILE A 3 4.568 -10.515 0.340 1.00 0.00 O ATOM 43 CB ILE A 3 1.728 -11.141 0.529 1.00 0.00 C ATOM 44 CG1 ILE A 3 1.581 -10.984 2.044 1.00 0.00 C ATOM 45 CG2 ILE A 3 2.604 -12.340 0.196 1.00 0.00 C ATOM 46 CD1 ILE A 3 0.393 -11.733 2.616 1.00 0.00 C ATOM 0 H ILE A 3 2.520 -10.780 -1.963 1.00 0.00 H new ATOM 0 HA ILE A 3 1.677 -9.013 0.229 1.00 0.00 H new ATOM 0 HB ILE A 3 0.741 -11.317 0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.491 -11.338 2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.483 -9.925 2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.181 -13.237 0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.651 -12.467 -0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.609 -12.176 0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.350 -11.578 3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.525 -11.363 2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.499 -12.797 2.407 1.00 0.00 H new ATOM 58 N LEU A 4 3.990 -8.399 0.849 1.00 0.00 N ATOM 59 CA LEU A 4 5.309 -8.032 1.349 1.00 0.00 C ATOM 60 C LEU A 4 5.217 -7.497 2.775 1.00 0.00 C ATOM 61 O LEU A 4 4.530 -6.509 3.027 1.00 0.00 O ATOM 62 CB LEU A 4 5.950 -6.977 0.439 1.00 0.00 C ATOM 63 CG LEU A 4 6.894 -7.522 -0.636 1.00 0.00 C ATOM 64 CD1 LEU A 4 7.906 -8.482 -0.030 1.00 0.00 C ATOM 65 CD2 LEU A 4 6.104 -8.203 -1.743 1.00 0.00 C ATOM 0 H LEU A 4 3.302 -7.647 0.889 1.00 0.00 H new ATOM 0 HA LEU A 4 5.931 -8.927 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.156 -6.414 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.503 -6.273 1.061 1.00 0.00 H new ATOM 0 HG LEU A 4 7.440 -6.683 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.566 -8.857 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.496 -7.961 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.382 -9.318 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.791 -8.584 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.530 -9.029 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.425 -7.484 -2.200 1.00 0.00 H new ATOM 77 N THR A 5 5.906 -8.148 3.707 1.00 0.00 N ATOM 78 CA THR A 5 5.886 -7.714 5.101 1.00 0.00 C ATOM 79 C THR A 5 6.310 -6.252 5.220 1.00 0.00 C ATOM 80 O THR A 5 7.212 -5.799 4.515 1.00 0.00 O ATOM 81 CB THR A 5 6.803 -8.597 5.951 1.00 0.00 C ATOM 82 OG1 THR A 5 7.171 -9.769 5.244 1.00 0.00 O ATOM 83 CG2 THR A 5 6.170 -9.029 7.256 1.00 0.00 C ATOM 0 H THR A 5 6.481 -8.971 3.526 1.00 0.00 H new ATOM 0 HA THR A 5 4.865 -7.810 5.470 1.00 0.00 H new ATOM 0 HB THR A 5 7.675 -7.981 6.172 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.758 -10.318 5.804 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.871 -9.652 7.812 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.919 -8.149 7.848 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.263 -9.598 7.050 1.00 0.00 H new ATOM 91 N ARG A 6 5.656 -5.520 6.117 1.00 0.00 N ATOM 92 CA ARG A 6 5.967 -4.110 6.325 1.00 0.00 C ATOM 93 C ARG A 6 5.668 -3.689 7.759 1.00 0.00 C ATOM 94 O ARG A 6 4.699 -4.151 8.362 1.00 0.00 O ATOM 95 CB ARG A 6 5.170 -3.232 5.356 1.00 0.00 C ATOM 96 CG ARG A 6 4.967 -3.855 3.985 1.00 0.00 C ATOM 97 CD ARG A 6 4.459 -2.836 2.977 1.00 0.00 C ATOM 98 NE ARG A 6 4.875 -3.163 1.615 1.00 0.00 N ATOM 99 CZ ARG A 6 4.247 -2.734 0.522 1.00 0.00 C ATOM 100 NH1 ARG A 6 3.175 -1.957 0.624 1.00 0.00 N ATOM 101 NH2 ARG A 6 4.693 -3.082 -0.677 1.00 0.00 N ATOM 0 H ARG A 6 4.908 -5.879 6.711 1.00 0.00 H new ATOM 0 HA ARG A 6 7.032 -3.976 6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.195 -3.016 5.794 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.685 -2.278 5.238 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.908 -4.277 3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.257 -4.678 4.060 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.371 -2.791 3.023 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.831 -1.846 3.242 1.00 0.00 H new ATOM 0 HE ARG A 6 5.696 -3.756 1.494 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.828 -1.685 1.544 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.699 -1.632 -0.217 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.517 -3.678 -0.762 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.213 -2.754 -1.515 1.00 0.00 H new ATOM 115 N ARG A 7 6.507 -2.800 8.291 1.00 0.00 N ATOM 116 CA ARG A 7 6.347 -2.293 9.657 1.00 0.00 C ATOM 117 C ARG A 7 7.570 -1.487 10.111 1.00 0.00 C ATOM 118 O ARG A 7 7.573 -0.921 11.204 1.00 0.00 O ATOM 119 CB ARG A 7 6.103 -3.444 10.639 1.00 0.00 C ATOM 120 CG ARG A 7 5.773 -2.982 12.050 1.00 0.00 C ATOM 121 CD ARG A 7 6.646 -3.680 13.081 1.00 0.00 C ATOM 122 NE ARG A 7 8.002 -3.135 13.112 1.00 0.00 N ATOM 123 CZ ARG A 7 9.048 -3.778 13.627 1.00 0.00 C ATOM 124 NH1 ARG A 7 8.899 -4.985 14.158 1.00 0.00 N ATOM 125 NH2 ARG A 7 10.246 -3.211 13.612 1.00 0.00 N ATOM 0 H ARG A 7 7.310 -2.413 7.794 1.00 0.00 H new ATOM 0 HA ARG A 7 5.481 -1.631 9.651 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.285 -4.060 10.267 1.00 0.00 H new ATOM 0 HB3 ARG A 7 6.990 -4.077 10.671 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.913 -1.903 12.123 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.723 -3.183 12.264 1.00 0.00 H new ATOM 0 HD2 ARG A 7 6.193 -3.579 14.067 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.689 -4.746 12.857 1.00 0.00 H new ATOM 0 HE ARG A 7 8.156 -2.208 12.716 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.979 -5.425 14.173 1.00 0.00 H new ATOM 0 HH12 ARG A 7 9.704 -5.472 14.551 1.00 0.00 H new ATOM 0 HH21 ARG A 7 10.366 -2.283 13.206 1.00 0.00 H new ATOM 0 HH22 ARG A 7 11.048 -3.703 14.006 1.00 0.00 H new ATOM 139 N VAL A 8 8.608 -1.430 9.277 1.00 0.00 N ATOM 140 CA VAL A 8 9.815 -0.689 9.619 1.00 0.00 C ATOM 141 C VAL A 8 10.001 0.516 8.702 1.00 0.00 C ATOM 142 O VAL A 8 9.842 1.660 9.128 1.00 0.00 O ATOM 143 CB VAL A 8 11.066 -1.586 9.542 1.00 0.00 C ATOM 144 CG1 VAL A 8 12.299 -0.834 10.020 1.00 0.00 C ATOM 145 CG2 VAL A 8 10.859 -2.855 10.355 1.00 0.00 C ATOM 0 H VAL A 8 8.635 -1.886 8.365 1.00 0.00 H new ATOM 0 HA VAL A 8 9.693 -0.341 10.645 1.00 0.00 H new ATOM 0 HB VAL A 8 11.225 -1.867 8.501 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.170 -1.486 9.957 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.456 0.043 9.392 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.155 -0.519 11.054 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.751 -3.478 10.291 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.673 -2.593 11.397 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.004 -3.404 9.961 1.00 0.00 H new ATOM 155 N GLY A 9 10.340 0.256 7.443 1.00 0.00 N ATOM 156 CA GLY A 9 10.541 1.336 6.495 1.00 0.00 C ATOM 157 C GLY A 9 10.249 0.922 5.066 1.00 0.00 C ATOM 158 O GLY A 9 11.138 0.453 4.355 1.00 0.00 O ATOM 0 H GLY A 9 10.479 -0.681 7.063 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.899 2.175 6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.570 1.688 6.564 1.00 0.00 H new ATOM 162 N GLU A 10 9.002 1.101 4.643 1.00 0.00 N ATOM 163 CA GLU A 10 8.594 0.748 3.288 1.00 0.00 C ATOM 164 C GLU A 10 8.305 2.004 2.471 1.00 0.00 C ATOM 165 O GLU A 10 8.522 3.121 2.940 1.00 0.00 O ATOM 166 CB GLU A 10 7.360 -0.156 3.322 1.00 0.00 C ATOM 167 CG GLU A 10 7.646 -1.565 3.819 1.00 0.00 C ATOM 168 CD GLU A 10 8.857 -2.190 3.153 1.00 0.00 C ATOM 169 OE1 GLU A 10 9.012 -2.022 1.925 1.00 0.00 O ATOM 170 OE2 GLU A 10 9.650 -2.848 3.859 1.00 0.00 O ATOM 0 H GLU A 10 8.256 1.489 5.220 1.00 0.00 H new ATOM 0 HA GLU A 10 9.412 0.206 2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.605 0.299 3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.935 -0.213 2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.803 -1.540 4.897 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.774 -2.193 3.638 1.00 0.00 H new ATOM 177 N THR A 11 7.811 1.818 1.248 1.00 0.00 N ATOM 178 CA THR A 11 7.488 2.942 0.370 1.00 0.00 C ATOM 179 C THR A 11 7.157 2.459 -1.039 1.00 0.00 C ATOM 180 O THR A 11 8.053 2.160 -1.828 1.00 0.00 O ATOM 181 CB THR A 11 8.650 3.942 0.307 1.00 0.00 C ATOM 182 OG1 THR A 11 9.867 3.339 0.725 1.00 0.00 O ATOM 183 CG2 THR A 11 8.421 5.180 1.152 1.00 0.00 C ATOM 0 H THR A 11 7.626 0.901 0.843 1.00 0.00 H new ATOM 0 HA THR A 11 6.613 3.440 0.788 1.00 0.00 H new ATOM 0 HB THR A 11 8.711 4.246 -0.738 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.949 3.408 1.699 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.280 5.845 1.063 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.525 5.696 0.807 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.293 4.890 2.195 1.00 0.00 H new ATOM 191 N LEU A 12 5.867 2.399 -1.358 1.00 0.00 N ATOM 192 CA LEU A 12 5.432 1.967 -2.684 1.00 0.00 C ATOM 193 C LEU A 12 4.736 3.111 -3.414 1.00 0.00 C ATOM 194 O LEU A 12 4.188 4.015 -2.784 1.00 0.00 O ATOM 195 CB LEU A 12 4.508 0.745 -2.586 1.00 0.00 C ATOM 196 CG LEU A 12 3.042 1.042 -2.249 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.130 -0.026 -2.835 1.00 0.00 C ATOM 198 CD2 LEU A 12 2.855 1.140 -0.744 1.00 0.00 C ATOM 0 H LEU A 12 5.108 2.642 -0.721 1.00 0.00 H new ATOM 0 HA LEU A 12 6.314 1.677 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.542 0.211 -3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.906 0.072 -1.827 1.00 0.00 H new ATOM 0 HG LEU A 12 2.772 2.000 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.094 0.203 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.245 -0.048 -3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.397 -0.999 -2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.809 1.351 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.142 0.197 -0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.479 1.943 -0.351 1.00 0.00 H new ATOM 210 N MET A 13 4.762 3.072 -4.742 1.00 0.00 N ATOM 211 CA MET A 13 4.132 4.115 -5.539 1.00 0.00 C ATOM 212 C MET A 13 3.216 3.518 -6.596 1.00 0.00 C ATOM 213 O MET A 13 3.669 3.060 -7.644 1.00 0.00 O ATOM 214 CB MET A 13 5.198 4.994 -6.200 1.00 0.00 C ATOM 215 CG MET A 13 4.625 6.080 -7.099 1.00 0.00 C ATOM 216 SD MET A 13 5.195 5.947 -8.805 1.00 0.00 S ATOM 217 CE MET A 13 6.623 7.028 -8.771 1.00 0.00 C ATOM 0 H MET A 13 5.210 2.334 -5.285 1.00 0.00 H new ATOM 0 HA MET A 13 3.527 4.730 -4.873 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.804 5.460 -5.423 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.864 4.362 -6.788 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.537 6.025 -7.079 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.902 7.057 -6.703 1.00 0.00 H new ATOM 0 HE1 MET A 13 7.086 7.051 -9.758 1.00 0.00 H new ATOM 0 HE2 MET A 13 6.311 8.035 -8.493 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.343 6.657 -8.041 1.00 0.00 H new ATOM 227 N ILE A 14 1.922 3.533 -6.309 1.00 0.00 N ATOM 228 CA ILE A 14 0.928 3.004 -7.222 1.00 0.00 C ATOM 229 C ILE A 14 0.018 4.121 -7.729 1.00 0.00 C ATOM 230 O ILE A 14 -0.607 4.831 -6.941 1.00 0.00 O ATOM 231 CB ILE A 14 0.085 1.908 -6.538 1.00 0.00 C ATOM 232 CG1 ILE A 14 -1.080 1.468 -7.431 1.00 0.00 C ATOM 233 CG2 ILE A 14 -0.429 2.400 -5.193 1.00 0.00 C ATOM 234 CD1 ILE A 14 -0.663 1.102 -8.838 1.00 0.00 C ATOM 0 H ILE A 14 1.537 3.910 -5.443 1.00 0.00 H new ATOM 0 HA ILE A 14 1.451 2.562 -8.071 1.00 0.00 H new ATOM 0 HB ILE A 14 0.725 1.041 -6.373 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.573 0.611 -6.973 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.815 2.272 -7.477 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.022 1.617 -4.721 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.415 2.652 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.049 3.284 -5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.540 0.801 -9.411 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.196 1.964 -9.315 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.049 0.277 -8.804 1.00 0.00 H new ATOM 246 N GLY A 15 -0.049 4.277 -9.048 1.00 0.00 N ATOM 247 CA GLY A 15 -0.880 5.315 -9.632 1.00 0.00 C ATOM 248 C GLY A 15 -0.147 6.097 -10.705 1.00 0.00 C ATOM 249 O GLY A 15 0.086 5.588 -11.802 1.00 0.00 O ATOM 0 H GLY A 15 0.457 3.703 -9.723 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.775 4.864 -10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.211 5.997 -8.849 1.00 0.00 H new ATOM 253 N ASP A 16 0.219 7.335 -10.389 1.00 0.00 N ATOM 254 CA ASP A 16 0.932 8.184 -11.340 1.00 0.00 C ATOM 255 C ASP A 16 1.890 9.152 -10.636 1.00 0.00 C ATOM 256 O ASP A 16 2.501 9.997 -11.288 1.00 0.00 O ATOM 257 CB ASP A 16 -0.065 8.970 -12.195 1.00 0.00 C ATOM 258 CG ASP A 16 -0.059 8.525 -13.645 1.00 0.00 C ATOM 259 OD1 ASP A 16 -0.629 7.453 -13.939 1.00 0.00 O ATOM 260 OD2 ASP A 16 0.515 9.248 -14.486 1.00 0.00 O ATOM 0 H ASP A 16 0.035 7.772 -9.486 1.00 0.00 H new ATOM 0 HA ASP A 16 1.528 7.532 -11.979 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.067 8.848 -11.784 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.174 10.032 -12.143 1.00 0.00 H new ATOM 265 N GLU A 17 2.018 9.018 -9.309 1.00 0.00 N ATOM 266 CA GLU A 17 2.901 9.872 -8.502 1.00 0.00 C ATOM 267 C GLU A 17 2.396 9.931 -7.062 1.00 0.00 C ATOM 268 O GLU A 17 1.861 10.949 -6.623 1.00 0.00 O ATOM 269 CB GLU A 17 2.993 11.295 -9.079 1.00 0.00 C ATOM 270 CG GLU A 17 3.674 12.293 -8.153 1.00 0.00 C ATOM 271 CD GLU A 17 4.790 13.058 -8.838 1.00 0.00 C ATOM 272 OE1 GLU A 17 4.677 13.308 -10.057 1.00 0.00 O ATOM 273 OE2 GLU A 17 5.777 13.406 -8.157 1.00 0.00 O ATOM 0 H GLU A 17 1.514 8.317 -8.766 1.00 0.00 H new ATOM 0 HA GLU A 17 3.899 9.434 -8.524 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.538 11.259 -10.022 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.988 11.651 -9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.933 12.998 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.078 11.765 -7.289 1.00 0.00 H new ATOM 280 N VAL A 18 2.556 8.831 -6.334 1.00 0.00 N ATOM 281 CA VAL A 18 2.108 8.755 -4.959 1.00 0.00 C ATOM 282 C VAL A 18 3.265 8.410 -4.013 1.00 0.00 C ATOM 283 O VAL A 18 4.424 8.711 -4.301 1.00 0.00 O ATOM 284 CB VAL A 18 0.987 7.709 -4.826 1.00 0.00 C ATOM 285 CG1 VAL A 18 -0.106 7.957 -5.856 1.00 0.00 C ATOM 286 CG2 VAL A 18 1.543 6.296 -4.953 1.00 0.00 C ATOM 0 H VAL A 18 2.996 7.978 -6.681 1.00 0.00 H new ATOM 0 HA VAL A 18 1.723 9.734 -4.676 1.00 0.00 H new ATOM 0 HB VAL A 18 0.547 7.808 -3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.888 7.206 -5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.531 8.949 -5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.317 7.893 -6.858 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.731 5.575 -4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.018 6.178 -5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.278 6.122 -4.167 1.00 0.00 H new ATOM 296 N THR A 19 2.941 7.774 -2.887 1.00 0.00 N ATOM 297 CA THR A 19 3.937 7.379 -1.895 1.00 0.00 C ATOM 298 C THR A 19 3.233 6.918 -0.624 1.00 0.00 C ATOM 299 O THR A 19 2.731 7.733 0.146 1.00 0.00 O ATOM 300 CB THR A 19 4.892 8.537 -1.582 1.00 0.00 C ATOM 301 OG1 THR A 19 5.532 8.338 -0.334 1.00 0.00 O ATOM 302 CG2 THR A 19 4.211 9.889 -1.538 1.00 0.00 C ATOM 0 H THR A 19 1.985 7.520 -2.639 1.00 0.00 H new ATOM 0 HA THR A 19 4.528 6.558 -2.302 1.00 0.00 H new ATOM 0 HB THR A 19 5.612 8.540 -2.401 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.138 9.087 -0.154 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.947 10.660 -1.312 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.753 10.097 -2.505 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.442 9.884 -0.766 1.00 0.00 H new ATOM 310 N VAL A 20 3.183 5.608 -0.414 1.00 0.00 N ATOM 311 CA VAL A 20 2.518 5.056 0.760 1.00 0.00 C ATOM 312 C VAL A 20 3.495 4.320 1.673 1.00 0.00 C ATOM 313 O VAL A 20 4.049 3.283 1.304 1.00 0.00 O ATOM 314 CB VAL A 20 1.385 4.091 0.357 1.00 0.00 C ATOM 315 CG1 VAL A 20 0.601 3.636 1.578 1.00 0.00 C ATOM 316 CG2 VAL A 20 0.463 4.741 -0.663 1.00 0.00 C ATOM 0 H VAL A 20 3.592 4.912 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 20 2.099 5.902 1.304 1.00 0.00 H new ATOM 0 HB VAL A 20 1.836 3.211 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.193 2.956 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.269 3.122 2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.163 4.503 2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.329 4.043 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.023 5.641 -0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.034 5.005 -1.553 1.00 0.00 H new ATOM 326 N THR A 21 3.695 4.868 2.868 1.00 0.00 N ATOM 327 CA THR A 21 4.593 4.272 3.851 1.00 0.00 C ATOM 328 C THR A 21 3.797 3.721 5.031 1.00 0.00 C ATOM 329 O THR A 21 3.184 4.477 5.784 1.00 0.00 O ATOM 330 CB THR A 21 5.609 5.305 4.340 1.00 0.00 C ATOM 331 OG1 THR A 21 6.334 4.808 5.451 1.00 0.00 O ATOM 332 CG2 THR A 21 4.977 6.616 4.754 1.00 0.00 C ATOM 0 H THR A 21 3.244 5.728 3.180 1.00 0.00 H new ATOM 0 HA THR A 21 5.130 3.451 3.375 1.00 0.00 H new ATOM 0 HB THR A 21 6.266 5.489 3.490 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.980 5.482 5.748 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.753 7.304 5.090 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.450 7.050 3.904 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.272 6.439 5.566 1.00 0.00 H new ATOM 340 N VAL A 22 3.799 2.400 5.177 1.00 0.00 N ATOM 341 CA VAL A 22 3.064 1.749 6.258 1.00 0.00 C ATOM 342 C VAL A 22 3.836 1.791 7.574 1.00 0.00 C ATOM 343 O VAL A 22 4.401 0.787 8.009 1.00 0.00 O ATOM 344 CB VAL A 22 2.739 0.284 5.909 1.00 0.00 C ATOM 345 CG1 VAL A 22 1.817 0.215 4.701 1.00 0.00 C ATOM 346 CG2 VAL A 22 4.016 -0.504 5.659 1.00 0.00 C ATOM 0 H VAL A 22 4.300 1.759 4.562 1.00 0.00 H new ATOM 0 HA VAL A 22 2.135 2.305 6.380 1.00 0.00 H new ATOM 0 HB VAL A 22 2.224 -0.165 6.758 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.598 -0.827 4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.888 0.740 4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.303 0.683 3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.765 -1.536 5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.563 -0.057 4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.637 -0.485 6.555 1.00 0.00 H new ATOM 356 N LEU A 23 3.851 2.959 8.209 1.00 0.00 N ATOM 357 CA LEU A 23 4.549 3.128 9.478 1.00 0.00 C ATOM 358 C LEU A 23 3.628 2.764 10.652 1.00 0.00 C ATOM 359 O LEU A 23 2.902 1.773 10.583 1.00 0.00 O ATOM 360 CB LEU A 23 5.069 4.568 9.603 1.00 0.00 C ATOM 361 CG LEU A 23 6.225 4.789 10.597 1.00 0.00 C ATOM 362 CD1 LEU A 23 6.725 3.472 11.185 1.00 0.00 C ATOM 363 CD2 LEU A 23 7.368 5.535 9.923 1.00 0.00 C ATOM 0 H LEU A 23 3.388 3.801 7.866 1.00 0.00 H new ATOM 0 HA LEU A 23 5.404 2.452 9.506 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.396 4.901 8.618 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.237 5.208 9.897 1.00 0.00 H new ATOM 0 HG LEU A 23 5.841 5.393 11.419 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.540 3.670 11.881 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.910 2.976 11.712 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.083 2.827 10.382 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.177 5.684 10.638 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.734 4.953 9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.013 6.503 9.571 1.00 0.00 H new ATOM 375 N GLY A 24 3.656 3.556 11.728 1.00 0.00 N ATOM 376 CA GLY A 24 2.816 3.274 12.877 1.00 0.00 C ATOM 377 C GLY A 24 2.985 1.855 13.384 1.00 0.00 C ATOM 378 O GLY A 24 2.147 0.993 13.120 1.00 0.00 O ATOM 0 H GLY A 24 4.245 4.384 11.820 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.054 3.974 13.678 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.772 3.439 12.610 1.00 0.00 H new ATOM 382 N VAL A 25 4.075 1.608 14.102 1.00 0.00 N ATOM 383 CA VAL A 25 4.350 0.283 14.629 1.00 0.00 C ATOM 384 C VAL A 25 3.665 0.057 15.973 1.00 0.00 C ATOM 385 O VAL A 25 4.069 0.617 16.993 1.00 0.00 O ATOM 386 CB VAL A 25 5.865 0.056 14.794 1.00 0.00 C ATOM 387 CG1 VAL A 25 6.152 -1.378 15.213 1.00 0.00 C ATOM 388 CG2 VAL A 25 6.599 0.402 13.506 1.00 0.00 C ATOM 0 H VAL A 25 4.780 2.309 14.330 1.00 0.00 H new ATOM 0 HA VAL A 25 3.952 -0.430 13.907 1.00 0.00 H new ATOM 0 HB VAL A 25 6.228 0.716 15.582 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.227 -1.516 15.324 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.660 -1.585 16.163 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.775 -2.062 14.453 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.668 0.236 13.640 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.232 -0.230 12.697 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.423 1.448 13.257 1.00 0.00 H new ATOM 398 N LYS A 26 2.627 -0.772 15.962 1.00 0.00 N ATOM 399 CA LYS A 26 1.878 -1.084 17.174 1.00 0.00 C ATOM 400 C LYS A 26 1.704 -2.592 17.327 1.00 0.00 C ATOM 401 O LYS A 26 1.492 -3.303 16.345 1.00 0.00 O ATOM 402 CB LYS A 26 0.510 -0.395 17.145 1.00 0.00 C ATOM 403 CG LYS A 26 0.349 0.683 18.204 1.00 0.00 C ATOM 404 CD LYS A 26 0.593 0.133 19.600 1.00 0.00 C ATOM 405 CE LYS A 26 -0.015 1.031 20.666 1.00 0.00 C ATOM 406 NZ LYS A 26 -0.563 0.247 21.807 1.00 0.00 N ATOM 0 H LYS A 26 2.284 -1.242 15.124 1.00 0.00 H new ATOM 0 HA LYS A 26 2.442 -0.713 18.030 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.357 0.048 16.161 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.268 -1.146 17.281 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.046 1.497 18.005 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.655 1.103 18.148 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.166 -0.867 19.678 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.665 0.036 19.772 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.743 1.724 21.032 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.809 1.632 20.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.968 0.896 22.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.304 -0.396 21.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.200 -0.307 22.245 1.00 0.00 H new ATOM 420 N GLY A 27 1.808 -3.073 18.564 1.00 0.00 N ATOM 421 CA GLY A 27 1.673 -4.496 18.834 1.00 0.00 C ATOM 422 C GLY A 27 0.541 -5.155 18.066 1.00 0.00 C ATOM 423 O GLY A 27 0.740 -6.189 17.428 1.00 0.00 O ATOM 0 H GLY A 27 1.984 -2.499 19.389 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.609 -4.995 18.584 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.509 -4.641 19.902 1.00 0.00 H new ATOM 427 N ASN A 28 -0.650 -4.567 18.129 1.00 0.00 N ATOM 428 CA ASN A 28 -1.807 -5.122 17.435 1.00 0.00 C ATOM 429 C ASN A 28 -2.094 -4.362 16.141 1.00 0.00 C ATOM 430 O ASN A 28 -1.678 -4.781 15.061 1.00 0.00 O ATOM 431 CB ASN A 28 -3.036 -5.097 18.347 1.00 0.00 C ATOM 432 CG ASN A 28 -3.312 -6.445 18.982 1.00 0.00 C ATOM 433 OD1 ASN A 28 -3.449 -7.454 18.290 1.00 0.00 O ATOM 434 ND2 ASN A 28 -3.396 -6.469 20.307 1.00 0.00 N ATOM 0 H ASN A 28 -0.839 -3.711 18.651 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.578 -6.156 17.175 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.889 -4.353 19.130 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.907 -4.785 17.770 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.581 -7.348 20.790 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.276 -5.608 20.841 1.00 0.00 H new ATOM 441 N GLN A 29 -2.812 -3.247 16.253 1.00 0.00 N ATOM 442 CA GLN A 29 -3.157 -2.440 15.088 1.00 0.00 C ATOM 443 C GLN A 29 -2.059 -1.429 14.775 1.00 0.00 C ATOM 444 O GLN A 29 -1.740 -0.569 15.595 1.00 0.00 O ATOM 445 CB GLN A 29 -4.483 -1.715 15.320 1.00 0.00 C ATOM 446 CG GLN A 29 -5.676 -2.651 15.437 1.00 0.00 C ATOM 447 CD GLN A 29 -6.195 -2.760 16.857 1.00 0.00 C ATOM 448 OE1 GLN A 29 -5.431 -2.673 17.818 1.00 0.00 O ATOM 449 NE2 GLN A 29 -7.502 -2.951 16.996 1.00 0.00 N ATOM 0 H GLN A 29 -3.165 -2.883 17.138 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.259 -3.109 14.234 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.408 -1.120 16.230 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.656 -1.020 14.498 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.476 -2.296 14.788 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.392 -3.641 15.081 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.098 -3.017 16.171 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.909 -3.032 17.928 1.00 0.00 H new ATOM 458 N VAL A 30 -1.481 -1.545 13.585 1.00 0.00 N ATOM 459 CA VAL A 30 -0.412 -0.649 13.162 1.00 0.00 C ATOM 460 C VAL A 30 -0.964 0.535 12.377 1.00 0.00 C ATOM 461 O VAL A 30 -1.827 0.371 11.513 1.00 0.00 O ATOM 462 CB VAL A 30 0.623 -1.386 12.290 1.00 0.00 C ATOM 463 CG1 VAL A 30 1.433 -2.365 13.128 1.00 0.00 C ATOM 464 CG2 VAL A 30 -0.066 -2.102 11.138 1.00 0.00 C ATOM 0 H VAL A 30 -1.735 -2.252 12.895 1.00 0.00 H new ATOM 0 HA VAL A 30 0.074 -0.287 14.068 1.00 0.00 H new ATOM 0 HB VAL A 30 1.310 -0.649 11.874 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.158 -2.875 12.493 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.958 -1.823 13.915 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.764 -3.099 13.577 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.679 -2.617 10.532 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.777 -2.827 11.534 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.595 -1.375 10.522 1.00 0.00 H new ATOM 474 N ARG A 31 -0.458 1.728 12.677 1.00 0.00 N ATOM 475 CA ARG A 31 -0.892 2.933 12.000 1.00 0.00 C ATOM 476 C ARG A 31 -0.240 3.037 10.625 1.00 0.00 C ATOM 477 O ARG A 31 0.954 3.314 10.514 1.00 0.00 O ATOM 478 CB ARG A 31 -0.561 4.168 12.841 1.00 0.00 C ATOM 479 CG ARG A 31 -1.771 4.772 13.536 1.00 0.00 C ATOM 480 CD ARG A 31 -1.362 5.627 14.724 1.00 0.00 C ATOM 481 NE ARG A 31 -1.333 4.859 15.967 1.00 0.00 N ATOM 482 CZ ARG A 31 -1.356 5.409 17.179 1.00 0.00 C ATOM 483 NH1 ARG A 31 -1.407 6.729 17.316 1.00 0.00 N ATOM 484 NH2 ARG A 31 -1.327 4.638 18.257 1.00 0.00 N ATOM 0 H ARG A 31 0.256 1.880 13.389 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.973 2.883 11.868 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.182 3.898 13.592 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.106 4.923 12.200 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.334 5.378 12.827 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.435 3.975 13.871 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.377 6.056 14.540 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.058 6.459 14.828 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.293 3.842 15.902 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.429 7.327 16.490 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.424 7.145 18.247 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.287 3.624 18.158 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.345 5.059 19.186 1.00 0.00 H new ATOM 498 N ILE A 32 -1.025 2.795 9.582 1.00 0.00 N ATOM 499 CA ILE A 32 -0.514 2.842 8.218 1.00 0.00 C ATOM 500 C ILE A 32 -0.583 4.252 7.641 1.00 0.00 C ATOM 501 O ILE A 32 -1.589 4.946 7.786 1.00 0.00 O ATOM 502 CB ILE A 32 -1.298 1.880 7.304 1.00 0.00 C ATOM 503 CG1 ILE A 32 -1.371 0.491 7.943 1.00 0.00 C ATOM 504 CG2 ILE A 32 -0.657 1.807 5.924 1.00 0.00 C ATOM 505 CD1 ILE A 32 -0.017 -0.159 8.132 1.00 0.00 C ATOM 0 H ILE A 32 -2.016 2.565 9.655 1.00 0.00 H new ATOM 0 HA ILE A 32 0.530 2.532 8.259 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.312 2.261 7.184 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.865 0.571 8.911 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.991 -0.154 7.321 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.226 1.123 5.294 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.654 2.799 5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.368 1.447 6.017 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.145 -1.140 8.589 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.471 -0.271 7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.599 0.465 8.779 1.00 0.00 H new ATOM 517 N GLY A 33 0.497 4.666 6.984 1.00 0.00 N ATOM 518 CA GLY A 33 0.549 5.989 6.391 1.00 0.00 C ATOM 519 C GLY A 33 0.428 5.949 4.882 1.00 0.00 C ATOM 520 O GLY A 33 1.243 5.323 4.205 1.00 0.00 O ATOM 0 H GLY A 33 1.339 4.106 6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.255 6.600 6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.488 6.471 6.665 1.00 0.00 H new ATOM 524 N VAL A 34 -0.593 6.615 4.353 1.00 0.00 N ATOM 525 CA VAL A 34 -0.814 6.645 2.913 1.00 0.00 C ATOM 526 C VAL A 34 -0.675 8.058 2.358 1.00 0.00 C ATOM 527 O VAL A 34 -1.572 8.889 2.510 1.00 0.00 O ATOM 528 CB VAL A 34 -2.207 6.100 2.547 1.00 0.00 C ATOM 529 CG1 VAL A 34 -2.330 5.918 1.042 1.00 0.00 C ATOM 530 CG2 VAL A 34 -2.479 4.791 3.274 1.00 0.00 C ATOM 0 H VAL A 34 -1.278 7.139 4.898 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.050 6.008 2.467 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.955 6.826 2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.321 5.532 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.184 6.878 0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.573 5.213 0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.468 4.422 3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.727 4.055 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.437 4.957 4.350 1.00 0.00 H new ATOM 540 N ASN A 35 0.455 8.321 1.710 1.00 0.00 N ATOM 541 CA ASN A 35 0.711 9.630 1.124 1.00 0.00 C ATOM 542 C ASN A 35 0.389 9.622 -0.367 1.00 0.00 C ATOM 543 O ASN A 35 1.110 9.028 -1.170 1.00 0.00 O ATOM 544 CB ASN A 35 2.165 10.048 1.352 1.00 0.00 C ATOM 545 CG ASN A 35 2.286 11.480 1.836 1.00 0.00 C ATOM 546 OD1 ASN A 35 1.817 12.410 1.181 1.00 0.00 O ATOM 547 ND2 ASN A 35 2.918 11.664 2.989 1.00 0.00 N ATOM 0 H ASN A 35 1.207 7.645 1.578 1.00 0.00 H new ATOM 0 HA ASN A 35 0.062 10.356 1.615 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.622 9.381 2.083 1.00 0.00 H new ATOM 0 HB3 ASN A 35 2.723 9.933 0.423 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.030 12.606 3.365 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.291 10.864 3.499 1.00 0.00 H new ATOM 554 N ALA A 36 -0.707 10.280 -0.726 1.00 0.00 N ATOM 555 CA ALA A 36 -1.137 10.347 -2.117 1.00 0.00 C ATOM 556 C ALA A 36 -1.696 11.724 -2.464 1.00 0.00 C ATOM 557 O ALA A 36 -2.376 12.351 -1.652 1.00 0.00 O ATOM 558 CB ALA A 36 -2.175 9.271 -2.398 1.00 0.00 C ATOM 0 H ALA A 36 -1.314 10.775 -0.073 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.263 10.174 -2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.488 9.331 -3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.743 8.289 -2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.039 9.421 -1.750 1.00 0.00 H new ATOM 564 N PRO A 37 -1.418 12.213 -3.687 1.00 0.00 N ATOM 565 CA PRO A 37 -1.897 13.518 -4.145 1.00 0.00 C ATOM 566 C PRO A 37 -3.353 13.471 -4.594 1.00 0.00 C ATOM 567 O PRO A 37 -3.865 12.415 -4.963 1.00 0.00 O ATOM 568 CB PRO A 37 -0.983 13.821 -5.328 1.00 0.00 C ATOM 569 CG PRO A 37 -0.651 12.482 -5.891 1.00 0.00 C ATOM 570 CD PRO A 37 -0.615 11.530 -4.722 1.00 0.00 C ATOM 0 HA PRO A 37 -1.867 14.271 -3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.482 14.450 -6.065 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.086 14.353 -5.011 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.397 12.172 -6.623 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.310 12.503 -6.405 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.039 10.560 -4.982 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.405 11.351 -4.383 1.00 0.00 H new ATOM 578 N LYS A 38 -4.015 14.622 -4.560 1.00 0.00 N ATOM 579 CA LYS A 38 -5.414 14.711 -4.965 1.00 0.00 C ATOM 580 C LYS A 38 -5.555 14.784 -6.487 1.00 0.00 C ATOM 581 O LYS A 38 -6.662 14.928 -7.006 1.00 0.00 O ATOM 582 CB LYS A 38 -6.072 15.934 -4.321 1.00 0.00 C ATOM 583 CG LYS A 38 -7.432 15.641 -3.708 1.00 0.00 C ATOM 584 CD LYS A 38 -7.553 16.224 -2.308 1.00 0.00 C ATOM 585 CE LYS A 38 -7.364 15.156 -1.242 1.00 0.00 C ATOM 586 NZ LYS A 38 -5.925 14.925 -0.936 1.00 0.00 N ATOM 0 H LYS A 38 -3.606 15.506 -4.257 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.917 13.806 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.411 16.327 -3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.182 16.715 -5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.215 16.054 -4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.589 14.563 -3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.809 17.009 -2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.532 16.689 -2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.885 15.455 -0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.818 14.224 -1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.839 14.190 -0.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.432 14.615 -1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.497 15.808 -0.591 1.00 0.00 H new ATOM 600 N GLU A 39 -4.434 14.687 -7.200 1.00 0.00 N ATOM 601 CA GLU A 39 -4.449 14.746 -8.658 1.00 0.00 C ATOM 602 C GLU A 39 -4.889 13.414 -9.259 1.00 0.00 C ATOM 603 O GLU A 39 -5.664 13.381 -10.215 1.00 0.00 O ATOM 604 CB GLU A 39 -3.064 15.124 -9.187 1.00 0.00 C ATOM 605 CG GLU A 39 -3.080 15.650 -10.613 1.00 0.00 C ATOM 606 CD GLU A 39 -3.287 17.150 -10.678 1.00 0.00 C ATOM 607 OE1 GLU A 39 -4.428 17.603 -10.447 1.00 0.00 O ATOM 608 OE2 GLU A 39 -2.308 17.873 -10.960 1.00 0.00 O ATOM 0 H GLU A 39 -3.507 14.568 -6.792 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.168 15.509 -8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.629 15.881 -8.534 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.415 14.250 -9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.139 15.395 -11.101 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.873 15.153 -11.171 1.00 0.00 H new ATOM 615 N VAL A 40 -4.391 12.317 -8.695 1.00 0.00 N ATOM 616 CA VAL A 40 -4.738 10.986 -9.183 1.00 0.00 C ATOM 617 C VAL A 40 -6.011 10.476 -8.516 1.00 0.00 C ATOM 618 O VAL A 40 -6.328 10.856 -7.389 1.00 0.00 O ATOM 619 CB VAL A 40 -3.600 9.974 -8.940 1.00 0.00 C ATOM 620 CG1 VAL A 40 -3.835 8.704 -9.744 1.00 0.00 C ATOM 621 CG2 VAL A 40 -2.252 10.590 -9.287 1.00 0.00 C ATOM 0 H VAL A 40 -3.748 12.323 -7.903 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.901 11.077 -10.257 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.592 9.712 -7.882 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.022 8.001 -9.560 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.780 8.252 -9.443 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.871 8.947 -10.806 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.462 9.861 -9.109 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.245 10.883 -10.337 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.082 11.468 -8.664 1.00 0.00 H new ATOM 631 N SER A 41 -6.740 9.615 -9.220 1.00 0.00 N ATOM 632 CA SER A 41 -7.980 9.056 -8.695 1.00 0.00 C ATOM 633 C SER A 41 -7.705 8.151 -7.499 1.00 0.00 C ATOM 634 O SER A 41 -7.310 6.997 -7.660 1.00 0.00 O ATOM 635 CB SER A 41 -8.711 8.271 -9.785 1.00 0.00 C ATOM 636 OG SER A 41 -8.605 8.920 -11.041 1.00 0.00 O ATOM 0 H SER A 41 -6.493 9.290 -10.155 1.00 0.00 H new ATOM 0 HA SER A 41 -8.611 9.882 -8.366 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.294 7.266 -9.855 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.762 8.162 -9.516 1.00 0.00 H new ATOM 0 HG SER A 41 -9.079 8.397 -11.721 1.00 0.00 H new ATOM 642 N VAL A 42 -7.916 8.682 -6.298 1.00 0.00 N ATOM 643 CA VAL A 42 -7.690 7.918 -5.078 1.00 0.00 C ATOM 644 C VAL A 42 -8.960 7.840 -4.230 1.00 0.00 C ATOM 645 O VAL A 42 -9.499 8.865 -3.813 1.00 0.00 O ATOM 646 CB VAL A 42 -6.558 8.537 -4.234 1.00 0.00 C ATOM 647 CG1 VAL A 42 -6.931 9.940 -3.778 1.00 0.00 C ATOM 648 CG2 VAL A 42 -6.232 7.650 -3.042 1.00 0.00 C ATOM 0 H VAL A 42 -8.242 9.636 -6.145 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.401 6.912 -5.382 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.667 8.610 -4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.118 10.358 -3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.106 10.571 -4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.837 9.897 -3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.431 8.104 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.118 7.540 -2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.913 6.669 -3.395 1.00 0.00 H new ATOM 658 N HIS A 43 -9.429 6.621 -3.973 1.00 0.00 N ATOM 659 CA HIS A 43 -10.629 6.417 -3.170 1.00 0.00 C ATOM 660 C HIS A 43 -10.359 5.420 -2.048 1.00 0.00 C ATOM 661 O HIS A 43 -9.729 4.385 -2.266 1.00 0.00 O ATOM 662 CB HIS A 43 -11.778 5.918 -4.047 1.00 0.00 C ATOM 663 CG HIS A 43 -12.549 7.020 -4.707 1.00 0.00 C ATOM 664 ND1 HIS A 43 -11.986 8.230 -5.052 1.00 0.00 N ATOM 665 CD2 HIS A 43 -13.847 7.090 -5.088 1.00 0.00 C ATOM 666 CE1 HIS A 43 -12.902 8.998 -5.614 1.00 0.00 C ATOM 667 NE2 HIS A 43 -14.040 8.329 -5.649 1.00 0.00 N ATOM 0 H HIS A 43 -8.996 5.761 -4.310 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.912 7.373 -2.728 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.377 5.256 -4.814 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -12.459 5.324 -3.437 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -14.591 6.316 -4.972 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -12.747 10.001 -5.982 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -14.920 8.676 -6.031 1.00 0.00 H new ATOM 675 N ARG A 44 -10.838 5.734 -0.850 1.00 0.00 N ATOM 676 CA ARG A 44 -10.645 4.859 0.301 1.00 0.00 C ATOM 677 C ARG A 44 -11.896 4.825 1.171 1.00 0.00 C ATOM 678 O ARG A 44 -12.537 3.784 1.315 1.00 0.00 O ATOM 679 CB ARG A 44 -9.447 5.327 1.130 1.00 0.00 C ATOM 680 CG ARG A 44 -8.239 5.715 0.293 1.00 0.00 C ATOM 681 CD ARG A 44 -6.985 5.829 1.144 1.00 0.00 C ATOM 682 NE ARG A 44 -5.920 6.553 0.455 1.00 0.00 N ATOM 683 CZ ARG A 44 -5.859 7.880 0.370 1.00 0.00 C ATOM 684 NH1 ARG A 44 -6.802 8.632 0.926 1.00 0.00 N ATOM 685 NH2 ARG A 44 -4.853 8.458 -0.272 1.00 0.00 N ATOM 0 H ARG A 44 -11.362 6.586 -0.650 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.451 3.852 -0.068 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -9.748 6.182 1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -9.161 4.532 1.819 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.083 4.972 -0.489 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.430 6.666 -0.205 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.225 6.339 2.077 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.634 4.831 1.407 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.179 6.009 0.013 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.578 8.193 1.421 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.750 9.648 0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.126 7.886 -0.701 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.807 9.475 -0.337 1.00 0.00 H new ATOM 699 N GLU A 45 -12.238 5.971 1.748 1.00 0.00 N ATOM 700 CA GLU A 45 -13.412 6.076 2.604 1.00 0.00 C ATOM 701 C GLU A 45 -13.729 7.537 2.910 1.00 0.00 C ATOM 702 O GLU A 45 -12.833 8.328 3.209 1.00 0.00 O ATOM 703 CB GLU A 45 -13.193 5.300 3.905 1.00 0.00 C ATOM 704 CG GLU A 45 -13.893 3.951 3.932 1.00 0.00 C ATOM 705 CD GLU A 45 -14.587 3.680 5.253 1.00 0.00 C ATOM 706 OE1 GLU A 45 -15.626 4.320 5.520 1.00 0.00 O ATOM 707 OE2 GLU A 45 -14.091 2.829 6.020 1.00 0.00 O ATOM 0 H GLU A 45 -11.718 6.841 1.638 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.260 5.643 2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.124 5.149 4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.548 5.902 4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.626 3.910 3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.164 3.164 3.741 1.00 0.00 H new ATOM 714 N GLU A 46 -15.009 7.887 2.834 1.00 0.00 N ATOM 715 CA GLU A 46 -15.447 9.252 3.101 1.00 0.00 C ATOM 716 C GLU A 46 -14.979 9.720 4.475 1.00 0.00 C ATOM 717 O GLU A 46 -14.342 10.765 4.600 1.00 0.00 O ATOM 718 CB GLU A 46 -16.972 9.346 3.009 1.00 0.00 C ATOM 719 CG GLU A 46 -17.535 8.830 1.695 1.00 0.00 C ATOM 720 CD GLU A 46 -19.034 9.028 1.585 1.00 0.00 C ATOM 721 OE1 GLU A 46 -19.484 10.193 1.623 1.00 0.00 O ATOM 722 OE2 GLU A 46 -19.759 8.019 1.461 1.00 0.00 O ATOM 0 H GLU A 46 -15.762 7.243 2.589 1.00 0.00 H new ATOM 0 HA GLU A 46 -15.002 9.902 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -17.413 8.781 3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -17.272 10.386 3.140 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -17.043 9.341 0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -17.304 7.769 1.597 1.00 0.00 H new ATOM 729 N ILE A 47 -15.296 8.938 5.502 1.00 0.00 N ATOM 730 CA ILE A 47 -14.907 9.272 6.867 1.00 0.00 C ATOM 731 C ILE A 47 -13.390 9.246 7.028 1.00 0.00 C ATOM 732 O ILE A 47 -12.810 10.114 7.680 1.00 0.00 O ATOM 733 CB ILE A 47 -15.542 8.300 7.883 1.00 0.00 C ATOM 734 CG1 ILE A 47 -15.209 8.727 9.314 1.00 0.00 C ATOM 735 CG2 ILE A 47 -15.068 6.877 7.625 1.00 0.00 C ATOM 736 CD1 ILE A 47 -15.829 7.837 10.369 1.00 0.00 C ATOM 0 H ILE A 47 -15.822 8.068 5.414 1.00 0.00 H new ATOM 0 HA ILE A 47 -15.271 10.280 7.065 1.00 0.00 H new ATOM 0 HB ILE A 47 -16.625 8.330 7.760 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -14.127 8.729 9.442 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -15.550 9.751 9.468 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -15.525 6.204 8.350 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -15.355 6.575 6.618 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.983 6.832 7.722 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.551 8.198 11.359 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -16.914 7.854 10.268 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.469 6.816 10.241 1.00 0.00 H new ATOM 748 N TYR A 48 -12.753 8.240 6.435 1.00 0.00 N ATOM 749 CA TYR A 48 -11.301 8.091 6.517 1.00 0.00 C ATOM 750 C TYR A 48 -10.585 9.418 6.269 1.00 0.00 C ATOM 751 O TYR A 48 -9.693 9.800 7.026 1.00 0.00 O ATOM 752 CB TYR A 48 -10.819 7.045 5.510 1.00 0.00 C ATOM 753 CG TYR A 48 -10.798 5.638 6.063 1.00 0.00 C ATOM 754 CD1 TYR A 48 -11.882 5.134 6.772 1.00 0.00 C ATOM 755 CD2 TYR A 48 -9.695 4.813 5.877 1.00 0.00 C ATOM 756 CE1 TYR A 48 -11.867 3.848 7.279 1.00 0.00 C ATOM 757 CE2 TYR A 48 -9.673 3.526 6.380 1.00 0.00 C ATOM 758 CZ TYR A 48 -10.761 3.049 7.080 1.00 0.00 C ATOM 759 OH TYR A 48 -10.743 1.768 7.583 1.00 0.00 O ATOM 0 H TYR A 48 -13.220 7.514 5.891 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.059 7.761 7.527 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.465 7.072 4.633 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.816 7.310 5.175 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -12.750 5.757 6.929 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.841 5.184 5.330 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.717 3.471 7.828 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.808 2.897 6.226 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.609 1.131 6.851 1.00 0.00 H new ATOM 769 N GLN A 49 -10.974 10.113 5.205 1.00 0.00 N ATOM 770 CA GLN A 49 -10.356 11.391 4.866 1.00 0.00 C ATOM 771 C GLN A 49 -11.069 12.556 5.551 1.00 0.00 C ATOM 772 O GLN A 49 -10.429 13.413 6.160 1.00 0.00 O ATOM 773 CB GLN A 49 -10.355 11.597 3.349 1.00 0.00 C ATOM 774 CG GLN A 49 -11.747 11.687 2.744 1.00 0.00 C ATOM 775 CD GLN A 49 -11.740 11.504 1.239 1.00 0.00 C ATOM 776 OE1 GLN A 49 -10.885 10.810 0.690 1.00 0.00 O ATOM 777 NE2 GLN A 49 -12.697 12.128 0.562 1.00 0.00 N ATOM 0 H GLN A 49 -11.710 9.815 4.565 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.327 11.366 5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.807 12.510 3.115 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.817 10.773 2.880 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.386 10.928 3.196 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.183 12.656 2.987 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.386 12.694 1.057 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.743 12.042 -0.453 1.00 0.00 H new ATOM 786 N ARG A 50 -12.395 12.589 5.437 1.00 0.00 N ATOM 787 CA ARG A 50 -13.198 13.657 6.033 1.00 0.00 C ATOM 788 C ARG A 50 -12.915 13.831 7.527 1.00 0.00 C ATOM 789 O ARG A 50 -13.258 14.860 8.109 1.00 0.00 O ATOM 790 CB ARG A 50 -14.688 13.378 5.825 1.00 0.00 C ATOM 791 CG ARG A 50 -15.177 13.697 4.421 1.00 0.00 C ATOM 792 CD ARG A 50 -16.492 14.460 4.448 1.00 0.00 C ATOM 793 NE ARG A 50 -16.440 15.608 5.351 1.00 0.00 N ATOM 794 CZ ARG A 50 -17.517 16.207 5.853 1.00 0.00 C ATOM 795 NH1 ARG A 50 -18.733 15.775 5.539 1.00 0.00 N ATOM 796 NH2 ARG A 50 -17.379 17.241 6.672 1.00 0.00 N ATOM 0 H ARG A 50 -12.939 11.886 4.936 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.920 14.583 5.531 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.886 12.328 6.040 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -15.262 13.964 6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.424 14.286 3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.304 12.771 3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.734 14.801 3.441 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -17.294 13.790 4.759 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.523 15.972 5.612 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -18.845 14.980 4.910 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.555 16.238 5.927 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.448 17.577 6.917 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.204 17.700 7.057 1.00 0.00 H new ATOM 810 N ILE A 51 -12.302 12.828 8.147 1.00 0.00 N ATOM 811 CA ILE A 51 -11.993 12.887 9.571 1.00 0.00 C ATOM 812 C ILE A 51 -10.486 12.980 9.801 1.00 0.00 C ATOM 813 O ILE A 51 -10.014 13.853 10.530 1.00 0.00 O ATOM 814 CB ILE A 51 -12.561 11.656 10.320 1.00 0.00 C ATOM 815 CG1 ILE A 51 -14.084 11.761 10.457 1.00 0.00 C ATOM 816 CG2 ILE A 51 -11.921 11.513 11.697 1.00 0.00 C ATOM 817 CD1 ILE A 51 -14.801 12.083 9.161 1.00 0.00 C ATOM 0 H ILE A 51 -12.010 11.966 7.687 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.466 13.785 9.968 1.00 0.00 H new ATOM 0 HB ILE A 51 -12.322 10.769 9.734 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -14.469 10.819 10.848 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.320 12.531 11.191 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.337 10.641 12.203 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.844 11.389 11.586 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.125 12.406 12.287 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.874 12.140 9.343 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.447 13.040 8.777 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.598 11.301 8.429 1.00 0.00 H new ATOM 829 N GLN A 52 -9.735 12.077 9.179 1.00 0.00 N ATOM 830 CA GLN A 52 -8.284 12.065 9.326 1.00 0.00 C ATOM 831 C GLN A 52 -7.649 13.221 8.560 1.00 0.00 C ATOM 832 O GLN A 52 -6.986 14.075 9.147 1.00 0.00 O ATOM 833 CB GLN A 52 -7.705 10.735 8.841 1.00 0.00 C ATOM 834 CG GLN A 52 -6.538 10.237 9.680 1.00 0.00 C ATOM 835 CD GLN A 52 -5.474 11.297 9.892 1.00 0.00 C ATOM 836 OE1 GLN A 52 -5.150 12.059 8.981 1.00 0.00 O ATOM 837 NE2 GLN A 52 -4.925 11.351 11.100 1.00 0.00 N ATOM 0 H GLN A 52 -10.105 11.347 8.571 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.054 12.184 10.385 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.493 9.982 8.846 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.377 10.846 7.807 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.909 9.902 10.649 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.090 9.371 9.193 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.224 10.700 11.826 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.204 12.044 11.302 1.00 0.00 H new ATOM 846 N ALA A 53 -7.857 13.244 7.246 1.00 0.00 N ATOM 847 CA ALA A 53 -7.304 14.297 6.408 1.00 0.00 C ATOM 848 C ALA A 53 -7.985 15.631 6.691 1.00 0.00 C ATOM 849 O ALA A 53 -7.347 16.684 6.667 1.00 0.00 O ATOM 850 CB ALA A 53 -7.445 13.931 4.938 1.00 0.00 C ATOM 0 H ALA A 53 -8.404 12.546 6.742 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.245 14.400 6.644 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.027 14.728 4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.910 13.002 4.741 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.500 13.800 4.695 1.00 0.00 H new ATOM 856 N GLU A 54 -9.285 15.577 6.958 1.00 0.00 N ATOM 857 CA GLU A 54 -10.057 16.778 7.247 1.00 0.00 C ATOM 858 C GLU A 54 -10.563 16.767 8.685 1.00 0.00 C ATOM 859 O GLU A 54 -11.244 15.833 9.110 1.00 0.00 O ATOM 860 CB GLU A 54 -11.237 16.897 6.282 1.00 0.00 C ATOM 861 CG GLU A 54 -10.871 17.526 4.948 1.00 0.00 C ATOM 862 CD GLU A 54 -11.553 16.848 3.776 1.00 0.00 C ATOM 863 OE1 GLU A 54 -11.215 15.681 3.487 1.00 0.00 O ATOM 864 OE2 GLU A 54 -12.426 17.483 3.148 1.00 0.00 O ATOM 0 H GLU A 54 -9.826 14.713 6.980 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.402 17.639 7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.652 15.905 6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.021 17.491 6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.144 18.581 4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.791 17.478 4.812 1.00 0.00 H new ATOM 871 N LYS A 55 -10.221 17.812 9.430 1.00 0.00 N ATOM 872 CA LYS A 55 -10.629 17.939 10.821 1.00 0.00 C ATOM 873 C LYS A 55 -12.111 17.620 10.995 1.00 0.00 C ATOM 874 O LYS A 55 -12.975 18.405 10.602 1.00 0.00 O ATOM 875 CB LYS A 55 -10.338 19.351 11.331 1.00 0.00 C ATOM 876 CG LYS A 55 -8.869 19.735 11.256 1.00 0.00 C ATOM 877 CD LYS A 55 -8.694 21.234 11.073 1.00 0.00 C ATOM 878 CE LYS A 55 -9.116 22.001 12.316 1.00 0.00 C ATOM 879 NZ LYS A 55 -10.512 22.508 12.209 1.00 0.00 N ATOM 0 H LYS A 55 -9.657 18.590 9.088 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.055 17.219 11.404 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.922 20.065 10.750 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.673 19.431 12.365 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.362 19.417 12.167 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.396 19.208 10.427 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.651 21.454 10.845 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.284 21.569 10.220 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.031 21.353 13.188 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.437 22.839 12.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.504 23.548 12.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.943 22.156 11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.066 22.174 13.024 1.00 0.00 H new ATOM 983 N MET B 1 -0.639 13.576 3.870 1.00 0.00 N ATOM 984 CA MET B 1 -0.381 12.282 4.553 1.00 0.00 C ATOM 985 C MET B 1 -1.589 11.840 5.373 1.00 0.00 C ATOM 986 O MET B 1 -2.130 12.611 6.165 1.00 0.00 O ATOM 987 CB MET B 1 0.841 12.445 5.459 1.00 0.00 C ATOM 988 CG MET B 1 0.729 13.611 6.428 1.00 0.00 C ATOM 989 SD MET B 1 1.604 15.079 5.852 1.00 0.00 S ATOM 990 CE MET B 1 0.842 16.345 6.864 1.00 0.00 C ATOM 0 H1 MET B 1 -0.639 13.431 2.840 1.00 0.00 H new ATOM 0 H2 MET B 1 -1.564 13.947 4.167 1.00 0.00 H new ATOM 0 H3 MET B 1 0.105 14.257 4.124 1.00 0.00 H new ATOM 0 HA MET B 1 -0.194 11.513 3.804 1.00 0.00 H new ATOM 0 HB2 MET B 1 0.988 11.525 6.026 1.00 0.00 H new ATOM 0 HB3 MET B 1 1.727 12.583 4.839 1.00 0.00 H new ATOM 0 HG2 MET B 1 -0.323 13.855 6.577 1.00 0.00 H new ATOM 0 HG3 MET B 1 1.127 13.312 7.398 1.00 0.00 H new ATOM 0 HE1 MET B 1 1.279 17.314 6.624 1.00 0.00 H new ATOM 0 HE2 MET B 1 -0.230 16.371 6.668 1.00 0.00 H new ATOM 0 HE3 MET B 1 1.013 16.121 7.917 1.00 0.00 H new ATOM 1002 N LEU B 2 -2.008 10.594 5.177 1.00 0.00 N ATOM 1003 CA LEU B 2 -3.153 10.050 5.899 1.00 0.00 C ATOM 1004 C LEU B 2 -2.754 8.815 6.701 1.00 0.00 C ATOM 1005 O LEU B 2 -2.431 7.773 6.131 1.00 0.00 O ATOM 1006 CB LEU B 2 -4.276 9.695 4.922 1.00 0.00 C ATOM 1007 CG LEU B 2 -5.692 9.926 5.451 1.00 0.00 C ATOM 1008 CD1 LEU B 2 -5.887 11.385 5.833 1.00 0.00 C ATOM 1009 CD2 LEU B 2 -6.722 9.502 4.415 1.00 0.00 C ATOM 0 H LEU B 2 -1.572 9.942 4.525 1.00 0.00 H new ATOM 0 HA LEU B 2 -3.509 10.812 6.592 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -4.144 10.281 4.013 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -4.176 8.646 4.643 1.00 0.00 H new ATOM 0 HG LEU B 2 -5.831 9.316 6.344 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -6.900 11.531 6.207 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -5.171 11.657 6.609 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -5.730 12.015 4.957 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -7.724 9.673 4.807 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -6.584 10.086 3.505 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -6.596 8.443 4.189 1.00 0.00 H new ATOM 1021 N ILE B 3 -2.783 8.935 8.026 1.00 0.00 N ATOM 1022 CA ILE B 3 -2.429 7.820 8.895 1.00 0.00 C ATOM 1023 C ILE B 3 -3.681 7.123 9.422 1.00 0.00 C ATOM 1024 O ILE B 3 -4.374 7.637 10.300 1.00 0.00 O ATOM 1025 CB ILE B 3 -1.540 8.280 10.073 1.00 0.00 C ATOM 1026 CG1 ILE B 3 -0.992 7.072 10.835 1.00 0.00 C ATOM 1027 CG2 ILE B 3 -2.310 9.200 11.009 1.00 0.00 C ATOM 1028 CD1 ILE B 3 0.397 7.296 11.401 1.00 0.00 C ATOM 0 H ILE B 3 -3.047 9.789 8.518 1.00 0.00 H new ATOM 0 HA ILE B 3 -1.858 7.110 8.297 1.00 0.00 H new ATOM 0 HB ILE B 3 -0.699 8.841 9.665 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -1.673 6.826 11.650 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -0.970 6.210 10.168 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -1.662 9.509 11.829 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -2.645 10.080 10.460 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -3.175 8.671 11.409 1.00 0.00 H new ATOM 0 HD11 ILE B 3 0.724 6.400 11.928 1.00 0.00 H new ATOM 0 HD12 ILE B 3 1.091 7.512 10.588 1.00 0.00 H new ATOM 0 HD13 ILE B 3 0.376 8.137 12.094 1.00 0.00 H new ATOM 1040 N LEU B 4 -3.958 5.944 8.875 1.00 0.00 N ATOM 1041 CA LEU B 4 -5.117 5.158 9.280 1.00 0.00 C ATOM 1042 C LEU B 4 -4.695 3.761 9.723 1.00 0.00 C ATOM 1043 O LEU B 4 -4.100 3.014 8.947 1.00 0.00 O ATOM 1044 CB LEU B 4 -6.122 5.057 8.127 1.00 0.00 C ATOM 1045 CG LEU B 4 -7.253 6.089 8.146 1.00 0.00 C ATOM 1046 CD1 LEU B 4 -7.916 6.138 9.514 1.00 0.00 C ATOM 1047 CD2 LEU B 4 -6.727 7.462 7.755 1.00 0.00 C ATOM 0 H LEU B 4 -3.392 5.510 8.146 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.591 5.662 10.122 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -5.580 5.155 7.186 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -6.563 4.060 8.139 1.00 0.00 H new ATOM 0 HG LEU B 4 -8.004 5.787 7.416 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -8.716 6.878 9.504 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -8.330 5.158 9.753 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -7.177 6.413 10.267 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.544 8.183 7.774 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -5.955 7.770 8.460 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -6.305 7.418 6.751 1.00 0.00 H new ATOM 1059 N THR B 5 -4.999 3.406 10.967 1.00 0.00 N ATOM 1060 CA THR B 5 -4.642 2.089 11.487 1.00 0.00 C ATOM 1061 C THR B 5 -5.203 0.985 10.594 1.00 0.00 C ATOM 1062 O THR B 5 -6.319 1.092 10.086 1.00 0.00 O ATOM 1063 CB THR B 5 -5.156 1.919 12.918 1.00 0.00 C ATOM 1064 OG1 THR B 5 -5.553 3.165 13.463 1.00 0.00 O ATOM 1065 CG2 THR B 5 -4.128 1.317 13.851 1.00 0.00 C ATOM 0 H THR B 5 -5.488 4.006 11.631 1.00 0.00 H new ATOM 0 HA THR B 5 -3.555 2.011 11.494 1.00 0.00 H new ATOM 0 HB THR B 5 -6.002 1.236 12.842 1.00 0.00 H new ATOM 0 HG1 THR B 5 -6.470 3.367 13.184 1.00 0.00 H new ATOM 0 HG21 THR B 5 -4.554 1.223 14.850 1.00 0.00 H new ATOM 0 HG22 THR B 5 -3.838 0.332 13.486 1.00 0.00 H new ATOM 0 HG23 THR B 5 -3.250 1.962 13.890 1.00 0.00 H new ATOM 1073 N ARG B 6 -4.422 -0.076 10.410 1.00 0.00 N ATOM 1074 CA ARG B 6 -4.844 -1.199 9.578 1.00 0.00 C ATOM 1075 C ARG B 6 -4.208 -2.500 10.051 1.00 0.00 C ATOM 1076 O ARG B 6 -3.056 -2.517 10.485 1.00 0.00 O ATOM 1077 CB ARG B 6 -4.477 -0.952 8.112 1.00 0.00 C ATOM 1078 CG ARG B 6 -4.592 0.502 7.684 1.00 0.00 C ATOM 1079 CD ARG B 6 -4.529 0.647 6.172 1.00 0.00 C ATOM 1080 NE ARG B 6 -5.268 1.818 5.705 1.00 0.00 N ATOM 1081 CZ ARG B 6 -5.037 2.429 4.545 1.00 0.00 C ATOM 1082 NH1 ARG B 6 -4.092 1.983 3.726 1.00 0.00 N ATOM 1083 NH2 ARG B 6 -5.755 3.489 4.202 1.00 0.00 N ATOM 0 H ARG B 6 -3.496 -0.182 10.825 1.00 0.00 H new ATOM 0 HA ARG B 6 -5.927 -1.287 9.666 1.00 0.00 H new ATOM 0 HB2 ARG B 6 -3.455 -1.291 7.942 1.00 0.00 H new ATOM 0 HB3 ARG B 6 -5.124 -1.559 7.479 1.00 0.00 H new ATOM 0 HG2 ARG B 6 -5.531 0.917 8.051 1.00 0.00 H new ATOM 0 HG3 ARG B 6 -3.788 1.081 8.139 1.00 0.00 H new ATOM 0 HD2 ARG B 6 -3.488 0.726 5.858 1.00 0.00 H new ATOM 0 HD3 ARG B 6 -4.936 -0.249 5.704 1.00 0.00 H new ATOM 0 HE ARG B 6 -6.005 2.190 6.304 1.00 0.00 H new ATOM 0 HH11 ARG B 6 -3.537 1.167 3.984 1.00 0.00 H new ATOM 0 HH12 ARG B 6 -3.921 2.456 2.839 1.00 0.00 H new ATOM 0 HH21 ARG B 6 -6.483 3.835 4.826 1.00 0.00 H new ATOM 0 HH22 ARG B 6 -5.579 3.958 3.314 1.00 0.00 H new ATOM 1097 N ARG B 7 -4.970 -3.589 9.953 1.00 0.00 N ATOM 1098 CA ARG B 7 -4.497 -4.915 10.360 1.00 0.00 C ATOM 1099 C ARG B 7 -5.636 -5.942 10.385 1.00 0.00 C ATOM 1100 O ARG B 7 -5.403 -7.125 10.630 1.00 0.00 O ATOM 1101 CB ARG B 7 -3.836 -4.856 11.741 1.00 0.00 C ATOM 1102 CG ARG B 7 -3.183 -6.163 12.162 1.00 0.00 C ATOM 1103 CD ARG B 7 -3.628 -6.584 13.554 1.00 0.00 C ATOM 1104 NE ARG B 7 -4.979 -7.142 13.553 1.00 0.00 N ATOM 1105 CZ ARG B 7 -5.742 -7.240 14.640 1.00 0.00 C ATOM 1106 NH1 ARG B 7 -5.292 -6.820 15.816 1.00 0.00 N ATOM 1107 NH2 ARG B 7 -6.959 -7.758 14.550 1.00 0.00 N ATOM 0 H ARG B 7 -5.924 -3.580 9.593 1.00 0.00 H new ATOM 0 HA ARG B 7 -3.763 -5.232 9.619 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -3.083 -4.068 11.740 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -4.586 -4.580 12.482 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -3.436 -6.945 11.446 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -2.099 -6.052 12.143 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -2.931 -7.323 13.949 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -3.592 -5.723 14.222 1.00 0.00 H new ATOM 0 HE ARG B 7 -5.360 -7.476 12.668 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -4.357 -6.419 15.891 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -5.881 -6.898 16.645 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -7.310 -8.081 13.649 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -7.544 -7.833 15.382 1.00 0.00 H new ATOM 1121 N VAL B 8 -6.866 -5.497 10.131 1.00 0.00 N ATOM 1122 CA VAL B 8 -8.013 -6.396 10.132 1.00 0.00 C ATOM 1123 C VAL B 8 -8.608 -6.532 8.733 1.00 0.00 C ATOM 1124 O VAL B 8 -8.486 -7.579 8.098 1.00 0.00 O ATOM 1125 CB VAL B 8 -9.105 -5.912 11.105 1.00 0.00 C ATOM 1126 CG1 VAL B 8 -10.239 -6.923 11.187 1.00 0.00 C ATOM 1127 CG2 VAL B 8 -8.512 -5.655 12.482 1.00 0.00 C ATOM 0 H VAL B 8 -7.090 -4.524 9.923 1.00 0.00 H new ATOM 0 HA VAL B 8 -7.653 -7.370 10.463 1.00 0.00 H new ATOM 0 HB VAL B 8 -9.514 -4.975 10.726 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -10.999 -6.562 11.879 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -10.681 -7.055 10.199 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -9.850 -7.878 11.541 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -9.296 -5.314 13.158 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -8.076 -6.576 12.868 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -7.739 -4.891 12.408 1.00 0.00 H new ATOM 1137 N GLY B 9 -9.253 -5.471 8.258 1.00 0.00 N ATOM 1138 CA GLY B 9 -9.855 -5.504 6.938 1.00 0.00 C ATOM 1139 C GLY B 9 -9.929 -4.133 6.294 1.00 0.00 C ATOM 1140 O GLY B 9 -10.913 -3.413 6.463 1.00 0.00 O ATOM 0 H GLY B 9 -9.369 -4.592 8.762 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -9.279 -6.171 6.297 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -10.859 -5.921 7.012 1.00 0.00 H new ATOM 1144 N GLU B 10 -8.887 -3.773 5.551 1.00 0.00 N ATOM 1145 CA GLU B 10 -8.838 -2.482 4.874 1.00 0.00 C ATOM 1146 C GLU B 10 -8.960 -2.663 3.364 1.00 0.00 C ATOM 1147 O GLU B 10 -9.179 -3.774 2.881 1.00 0.00 O ATOM 1148 CB GLU B 10 -7.537 -1.751 5.215 1.00 0.00 C ATOM 1149 CG GLU B 10 -7.484 -1.231 6.645 1.00 0.00 C ATOM 1150 CD GLU B 10 -8.741 -0.484 7.047 1.00 0.00 C ATOM 1151 OE1 GLU B 10 -9.259 0.295 6.219 1.00 0.00 O ATOM 1152 OE2 GLU B 10 -9.207 -0.678 8.189 1.00 0.00 O ATOM 0 H GLU B 10 -8.065 -4.358 5.403 1.00 0.00 H new ATOM 0 HA GLU B 10 -9.679 -1.881 5.220 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -6.697 -2.427 5.052 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -7.410 -0.914 4.528 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -7.332 -2.069 7.326 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -6.624 -0.571 6.755 1.00 0.00 H new ATOM 1159 N THR B 11 -8.813 -1.569 2.619 1.00 0.00 N ATOM 1160 CA THR B 11 -8.903 -1.613 1.160 1.00 0.00 C ATOM 1161 C THR B 11 -8.925 -0.207 0.569 1.00 0.00 C ATOM 1162 O THR B 11 -9.961 0.457 0.567 1.00 0.00 O ATOM 1163 CB THR B 11 -10.156 -2.377 0.709 1.00 0.00 C ATOM 1164 OG1 THR B 11 -11.114 -2.449 1.756 1.00 0.00 O ATOM 1165 CG2 THR B 11 -9.860 -3.787 0.239 1.00 0.00 C ATOM 0 H THR B 11 -8.631 -0.641 3.001 1.00 0.00 H new ATOM 0 HA THR B 11 -8.018 -2.136 0.796 1.00 0.00 H new ATOM 0 HB THR B 11 -10.551 -1.811 -0.135 1.00 0.00 H new ATOM 0 HG1 THR B 11 -11.903 -2.939 1.444 1.00 0.00 H new ATOM 0 HG21 THR B 11 -10.788 -4.271 -0.065 1.00 0.00 H new ATOM 0 HG22 THR B 11 -9.174 -3.752 -0.608 1.00 0.00 H new ATOM 0 HG23 THR B 11 -9.405 -4.353 1.051 1.00 0.00 H new ATOM 1173 N LEU B 12 -7.782 0.238 0.054 1.00 0.00 N ATOM 1174 CA LEU B 12 -7.689 1.563 -0.555 1.00 0.00 C ATOM 1175 C LEU B 12 -7.384 1.444 -2.044 1.00 0.00 C ATOM 1176 O LEU B 12 -6.804 0.453 -2.488 1.00 0.00 O ATOM 1177 CB LEU B 12 -6.622 2.414 0.149 1.00 0.00 C ATOM 1178 CG LEU B 12 -5.173 2.160 -0.283 1.00 0.00 C ATOM 1179 CD1 LEU B 12 -4.334 3.417 -0.105 1.00 0.00 C ATOM 1180 CD2 LEU B 12 -4.581 1.004 0.506 1.00 0.00 C ATOM 0 H LEU B 12 -6.912 -0.295 0.046 1.00 0.00 H new ATOM 0 HA LEU B 12 -8.651 2.062 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -6.853 3.466 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -6.697 2.241 1.223 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.168 1.894 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -3.309 3.217 -0.417 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -4.749 4.220 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -4.343 3.715 0.943 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -3.552 0.836 0.188 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.598 1.243 1.569 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -5.168 0.103 0.327 1.00 0.00 H new ATOM 1192 N MET B 13 -7.781 2.451 -2.814 1.00 0.00 N ATOM 1193 CA MET B 13 -7.546 2.440 -4.251 1.00 0.00 C ATOM 1194 C MET B 13 -6.897 3.737 -4.709 1.00 0.00 C ATOM 1195 O MET B 13 -7.565 4.756 -4.877 1.00 0.00 O ATOM 1196 CB MET B 13 -8.861 2.213 -5.002 1.00 0.00 C ATOM 1197 CG MET B 13 -8.714 2.242 -6.516 1.00 0.00 C ATOM 1198 SD MET B 13 -9.723 3.521 -7.292 1.00 0.00 S ATOM 1199 CE MET B 13 -11.211 2.598 -7.668 1.00 0.00 C ATOM 0 H MET B 13 -8.264 3.280 -2.469 1.00 0.00 H new ATOM 0 HA MET B 13 -6.863 1.621 -4.476 1.00 0.00 H new ATOM 0 HB2 MET B 13 -9.277 1.251 -4.705 1.00 0.00 H new ATOM 0 HB3 MET B 13 -9.578 2.977 -4.701 1.00 0.00 H new ATOM 0 HG2 MET B 13 -7.667 2.406 -6.772 1.00 0.00 H new ATOM 0 HG3 MET B 13 -8.992 1.270 -6.922 1.00 0.00 H new ATOM 0 HE1 MET B 13 -11.934 3.254 -8.153 1.00 0.00 H new ATOM 0 HE2 MET B 13 -10.967 1.771 -8.335 1.00 0.00 H new ATOM 0 HE3 MET B 13 -11.639 2.206 -6.745 1.00 0.00 H new ATOM 1209 N ILE B 14 -5.589 3.683 -4.914 1.00 0.00 N ATOM 1210 CA ILE B 14 -4.835 4.839 -5.357 1.00 0.00 C ATOM 1211 C ILE B 14 -4.260 4.600 -6.753 1.00 0.00 C ATOM 1212 O ILE B 14 -3.536 3.631 -6.978 1.00 0.00 O ATOM 1213 CB ILE B 14 -3.695 5.162 -4.368 1.00 0.00 C ATOM 1214 CG1 ILE B 14 -2.784 6.268 -4.914 1.00 0.00 C ATOM 1215 CG2 ILE B 14 -2.890 3.908 -4.062 1.00 0.00 C ATOM 1216 CD1 ILE B 14 -3.532 7.498 -5.379 1.00 0.00 C ATOM 0 H ILE B 14 -5.027 2.842 -4.778 1.00 0.00 H new ATOM 0 HA ILE B 14 -5.515 5.690 -5.395 1.00 0.00 H new ATOM 0 HB ILE B 14 -4.142 5.525 -3.443 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -2.074 6.557 -4.139 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -2.203 5.870 -5.746 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -2.089 4.151 -3.363 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -3.543 3.156 -3.619 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.460 3.517 -4.984 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.822 8.236 -5.752 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -4.223 7.224 -6.176 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -4.091 7.921 -4.544 1.00 0.00 H new ATOM 1228 N GLY B 15 -4.591 5.485 -7.688 1.00 0.00 N ATOM 1229 CA GLY B 15 -4.104 5.346 -9.049 1.00 0.00 C ATOM 1230 C GLY B 15 -5.207 5.532 -10.073 1.00 0.00 C ATOM 1231 O GLY B 15 -5.673 6.651 -10.296 1.00 0.00 O ATOM 0 H GLY B 15 -5.188 6.296 -7.528 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -3.317 6.078 -9.228 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -3.657 4.360 -9.174 1.00 0.00 H new ATOM 1235 N ASP B 16 -5.627 4.436 -10.697 1.00 0.00 N ATOM 1236 CA ASP B 16 -6.686 4.489 -11.701 1.00 0.00 C ATOM 1237 C ASP B 16 -7.523 3.205 -11.720 1.00 0.00 C ATOM 1238 O ASP B 16 -8.400 3.053 -12.569 1.00 0.00 O ATOM 1239 CB ASP B 16 -6.085 4.739 -13.087 1.00 0.00 C ATOM 1240 CG ASP B 16 -6.443 6.106 -13.635 1.00 0.00 C ATOM 1241 OD1 ASP B 16 -5.845 7.104 -13.179 1.00 0.00 O ATOM 1242 OD2 ASP B 16 -7.322 6.180 -14.520 1.00 0.00 O ATOM 0 H ASP B 16 -5.252 3.503 -10.527 1.00 0.00 H new ATOM 0 HA ASP B 16 -7.348 5.313 -11.434 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -5.000 4.646 -13.032 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -6.436 3.971 -13.776 1.00 0.00 H new ATOM 1247 N GLU B 17 -7.250 2.292 -10.779 1.00 0.00 N ATOM 1248 CA GLU B 17 -7.971 1.016 -10.672 1.00 0.00 C ATOM 1249 C GLU B 17 -7.091 -0.026 -9.984 1.00 0.00 C ATOM 1250 O GLU B 17 -6.592 -0.951 -10.625 1.00 0.00 O ATOM 1251 CB GLU B 17 -8.409 0.497 -12.052 1.00 0.00 C ATOM 1252 CG GLU B 17 -8.924 -0.935 -12.037 1.00 0.00 C ATOM 1253 CD GLU B 17 -10.279 -1.076 -12.704 1.00 0.00 C ATOM 1254 OE1 GLU B 17 -10.550 -0.322 -13.662 1.00 0.00 O ATOM 1255 OE2 GLU B 17 -11.069 -1.939 -12.268 1.00 0.00 O ATOM 0 H GLU B 17 -6.525 2.416 -10.072 1.00 0.00 H new ATOM 0 HA GLU B 17 -8.867 1.189 -10.076 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -9.189 1.149 -12.444 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -7.565 0.562 -12.739 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -8.206 -1.581 -12.542 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -8.993 -1.281 -11.006 1.00 0.00 H new ATOM 1262 N VAL B 18 -6.893 0.136 -8.680 1.00 0.00 N ATOM 1263 CA VAL B 18 -6.067 -0.775 -7.916 1.00 0.00 C ATOM 1264 C VAL B 18 -6.853 -1.402 -6.758 1.00 0.00 C ATOM 1265 O VAL B 18 -8.074 -1.538 -6.827 1.00 0.00 O ATOM 1266 CB VAL B 18 -4.828 -0.039 -7.378 1.00 0.00 C ATOM 1267 CG1 VAL B 18 -4.113 0.705 -8.498 1.00 0.00 C ATOM 1268 CG2 VAL B 18 -5.206 0.911 -6.249 1.00 0.00 C ATOM 0 H VAL B 18 -7.298 0.896 -8.133 1.00 0.00 H new ATOM 0 HA VAL B 18 -5.748 -1.579 -8.580 1.00 0.00 H new ATOM 0 HB VAL B 18 -4.142 -0.783 -6.974 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -3.240 1.218 -8.095 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -3.796 -0.005 -9.262 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -4.791 1.435 -8.940 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -4.312 1.419 -5.886 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -5.918 1.649 -6.618 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -5.658 0.346 -5.434 1.00 0.00 H new ATOM 1278 N THR B 19 -6.142 -1.778 -5.694 1.00 0.00 N ATOM 1279 CA THR B 19 -6.754 -2.384 -4.516 1.00 0.00 C ATOM 1280 C THR B 19 -5.665 -2.932 -3.602 1.00 0.00 C ATOM 1281 O THR B 19 -5.075 -3.973 -3.882 1.00 0.00 O ATOM 1282 CB THR B 19 -7.725 -3.503 -4.914 1.00 0.00 C ATOM 1283 OG1 THR B 19 -7.952 -4.382 -3.827 1.00 0.00 O ATOM 1284 CG2 THR B 19 -7.242 -4.335 -6.084 1.00 0.00 C ATOM 0 H THR B 19 -5.130 -1.671 -5.627 1.00 0.00 H new ATOM 0 HA THR B 19 -7.323 -1.620 -3.986 1.00 0.00 H new ATOM 0 HB THR B 19 -8.642 -2.993 -5.209 1.00 0.00 H new ATOM 0 HG1 THR B 19 -8.575 -5.087 -4.101 1.00 0.00 H new ATOM 0 HG21 THR B 19 -7.978 -5.107 -6.310 1.00 0.00 H new ATOM 0 HG22 THR B 19 -7.108 -3.694 -6.956 1.00 0.00 H new ATOM 0 HG23 THR B 19 -6.291 -4.804 -5.829 1.00 0.00 H new ATOM 1292 N VAL B 20 -5.386 -2.221 -2.516 1.00 0.00 N ATOM 1293 CA VAL B 20 -4.348 -2.642 -1.583 1.00 0.00 C ATOM 1294 C VAL B 20 -4.921 -2.964 -0.205 1.00 0.00 C ATOM 1295 O VAL B 20 -5.416 -2.080 0.498 1.00 0.00 O ATOM 1296 CB VAL B 20 -3.260 -1.560 -1.433 1.00 0.00 C ATOM 1297 CG1 VAL B 20 -2.109 -2.064 -0.576 1.00 0.00 C ATOM 1298 CG2 VAL B 20 -2.759 -1.109 -2.796 1.00 0.00 C ATOM 0 H VAL B 20 -5.861 -1.355 -2.261 1.00 0.00 H new ATOM 0 HA VAL B 20 -3.905 -3.546 -2.000 1.00 0.00 H new ATOM 0 HB VAL B 20 -3.704 -0.700 -0.931 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -1.354 -1.283 -0.485 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -2.481 -2.327 0.414 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -1.666 -2.944 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -1.992 -0.345 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -2.337 -1.961 -3.329 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -3.589 -0.697 -3.370 1.00 0.00 H new ATOM 1308 N THR B 21 -4.843 -4.237 0.171 1.00 0.00 N ATOM 1309 CA THR B 21 -5.340 -4.692 1.465 1.00 0.00 C ATOM 1310 C THR B 21 -4.177 -5.101 2.365 1.00 0.00 C ATOM 1311 O THR B 21 -3.480 -6.077 2.088 1.00 0.00 O ATOM 1312 CB THR B 21 -6.302 -5.867 1.284 1.00 0.00 C ATOM 1313 OG1 THR B 21 -6.610 -6.460 2.534 1.00 0.00 O ATOM 1314 CG2 THR B 21 -5.756 -6.954 0.383 1.00 0.00 C ATOM 0 H THR B 21 -4.438 -4.975 -0.405 1.00 0.00 H new ATOM 0 HA THR B 21 -5.878 -3.870 1.937 1.00 0.00 H new ATOM 0 HB THR B 21 -7.191 -5.443 0.818 1.00 0.00 H new ATOM 0 HG1 THR B 21 -7.228 -7.209 2.398 1.00 0.00 H new ATOM 0 HG21 THR B 21 -6.488 -7.757 0.297 1.00 0.00 H new ATOM 0 HG22 THR B 21 -5.554 -6.540 -0.605 1.00 0.00 H new ATOM 0 HG23 THR B 21 -4.833 -7.348 0.807 1.00 0.00 H new ATOM 1322 N VAL B 22 -3.963 -4.342 3.434 1.00 0.00 N ATOM 1323 CA VAL B 22 -2.874 -4.620 4.365 1.00 0.00 C ATOM 1324 C VAL B 22 -3.239 -5.726 5.352 1.00 0.00 C ATOM 1325 O VAL B 22 -3.521 -5.462 6.522 1.00 0.00 O ATOM 1326 CB VAL B 22 -2.472 -3.355 5.148 1.00 0.00 C ATOM 1327 CG1 VAL B 22 -1.929 -2.292 4.204 1.00 0.00 C ATOM 1328 CG2 VAL B 22 -3.653 -2.819 5.944 1.00 0.00 C ATOM 0 H VAL B 22 -4.529 -3.529 3.678 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.029 -4.954 3.763 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.683 -3.622 5.851 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -1.650 -1.406 4.775 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -1.052 -2.680 3.685 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -2.695 -2.028 3.475 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -3.349 -1.926 6.490 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -4.467 -2.569 5.264 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -3.991 -3.578 6.650 1.00 0.00 H new ATOM 1338 N LEU B 23 -3.227 -6.966 4.876 1.00 0.00 N ATOM 1339 CA LEU B 23 -3.551 -8.111 5.719 1.00 0.00 C ATOM 1340 C LEU B 23 -2.296 -8.622 6.440 1.00 0.00 C ATOM 1341 O LEU B 23 -1.495 -7.824 6.928 1.00 0.00 O ATOM 1342 CB LEU B 23 -4.198 -9.218 4.874 1.00 0.00 C ATOM 1343 CG LEU B 23 -5.044 -10.252 5.641 1.00 0.00 C ATOM 1344 CD1 LEU B 23 -5.179 -9.888 7.118 1.00 0.00 C ATOM 1345 CD2 LEU B 23 -6.418 -10.392 5.002 1.00 0.00 C ATOM 0 H LEU B 23 -2.997 -7.204 3.911 1.00 0.00 H new ATOM 0 HA LEU B 23 -4.266 -7.800 6.481 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -4.831 -8.749 4.121 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -3.408 -9.748 4.342 1.00 0.00 H new ATOM 0 HG LEU B 23 -4.526 -11.209 5.583 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -5.782 -10.641 7.625 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -4.190 -9.848 7.575 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -5.661 -8.915 7.210 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -7.004 -11.126 5.555 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -6.929 -9.429 5.023 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -6.307 -10.721 3.969 1.00 0.00 H new ATOM 1357 N GLY B 24 -2.121 -9.945 6.513 1.00 0.00 N ATOM 1358 CA GLY B 24 -0.959 -10.502 7.183 1.00 0.00 C ATOM 1359 C GLY B 24 -0.790 -9.967 8.591 1.00 0.00 C ATOM 1360 O GLY B 24 0.044 -9.095 8.833 1.00 0.00 O ATOM 0 H GLY B 24 -2.762 -10.635 6.121 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -1.050 -11.588 7.219 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -0.065 -10.276 6.602 1.00 0.00 H new ATOM 1364 N VAL B 25 -1.590 -10.481 9.520 1.00 0.00 N ATOM 1365 CA VAL B 25 -1.528 -10.036 10.901 1.00 0.00 C ATOM 1366 C VAL B 25 -0.466 -10.796 11.691 1.00 0.00 C ATOM 1367 O VAL B 25 -0.633 -11.973 12.009 1.00 0.00 O ATOM 1368 CB VAL B 25 -2.890 -10.208 11.600 1.00 0.00 C ATOM 1369 CG1 VAL B 25 -2.856 -9.615 13.000 1.00 0.00 C ATOM 1370 CG2 VAL B 25 -3.998 -9.576 10.768 1.00 0.00 C ATOM 0 H VAL B 25 -2.286 -11.204 9.339 1.00 0.00 H new ATOM 0 HA VAL B 25 -1.262 -8.979 10.877 1.00 0.00 H new ATOM 0 HB VAL B 25 -3.098 -11.274 11.692 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -3.828 -9.748 13.475 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -2.092 -10.120 13.591 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -2.624 -8.552 12.939 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -4.954 -9.706 11.276 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -3.796 -8.512 10.641 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -4.038 -10.056 9.790 1.00 0.00 H new ATOM 1380 N LYS B 26 0.626 -10.107 12.004 1.00 0.00 N ATOM 1381 CA LYS B 26 1.723 -10.703 12.758 1.00 0.00 C ATOM 1382 C LYS B 26 2.128 -9.803 13.921 1.00 0.00 C ATOM 1383 O LYS B 26 2.144 -8.578 13.793 1.00 0.00 O ATOM 1384 CB LYS B 26 2.923 -10.955 11.842 1.00 0.00 C ATOM 1385 CG LYS B 26 3.235 -12.428 11.640 1.00 0.00 C ATOM 1386 CD LYS B 26 3.472 -13.135 12.965 1.00 0.00 C ATOM 1387 CE LYS B 26 4.233 -14.437 12.773 1.00 0.00 C ATOM 1388 NZ LYS B 26 5.180 -14.697 13.892 1.00 0.00 N ATOM 0 H LYS B 26 0.775 -9.132 11.746 1.00 0.00 H new ATOM 0 HA LYS B 26 1.383 -11.657 13.162 1.00 0.00 H new ATOM 0 HB2 LYS B 26 2.732 -10.496 10.872 1.00 0.00 H new ATOM 0 HB3 LYS B 26 3.799 -10.461 12.261 1.00 0.00 H new ATOM 0 HG2 LYS B 26 2.409 -12.907 11.114 1.00 0.00 H new ATOM 0 HG3 LYS B 26 4.118 -12.531 11.009 1.00 0.00 H new ATOM 0 HD2 LYS B 26 4.032 -12.480 13.633 1.00 0.00 H new ATOM 0 HD3 LYS B 26 2.515 -13.339 13.446 1.00 0.00 H new ATOM 0 HE2 LYS B 26 3.526 -15.263 12.697 1.00 0.00 H new ATOM 0 HE3 LYS B 26 4.783 -14.401 11.833 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 5.679 -15.594 13.723 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 5.871 -13.922 13.949 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 4.653 -14.757 14.786 1.00 0.00 H new ATOM 1402 N GLY B 27 2.444 -10.418 15.059 1.00 0.00 N ATOM 1403 CA GLY B 27 2.835 -9.665 16.241 1.00 0.00 C ATOM 1404 C GLY B 27 3.779 -8.513 15.943 1.00 0.00 C ATOM 1405 O GLY B 27 3.544 -7.386 16.379 1.00 0.00 O ATOM 0 H GLY B 27 2.436 -11.430 15.184 1.00 0.00 H new ATOM 0 HA2 GLY B 27 1.940 -9.274 16.725 1.00 0.00 H new ATOM 0 HA3 GLY B 27 3.312 -10.341 16.951 1.00 0.00 H new ATOM 1409 N ASN B 28 4.851 -8.791 15.207 1.00 0.00 N ATOM 1410 CA ASN B 28 5.826 -7.759 14.869 1.00 0.00 C ATOM 1411 C ASN B 28 5.632 -7.262 13.437 1.00 0.00 C ATOM 1412 O ASN B 28 4.985 -6.239 13.211 1.00 0.00 O ATOM 1413 CB ASN B 28 7.249 -8.293 15.055 1.00 0.00 C ATOM 1414 CG ASN B 28 7.869 -7.842 16.363 1.00 0.00 C ATOM 1415 OD1 ASN B 28 7.935 -6.647 16.652 1.00 0.00 O ATOM 1416 ND2 ASN B 28 8.328 -8.798 17.161 1.00 0.00 N ATOM 0 H ASN B 28 5.066 -9.716 14.835 1.00 0.00 H new ATOM 0 HA ASN B 28 5.671 -6.916 15.543 1.00 0.00 H new ATOM 0 HB2 ASN B 28 7.233 -9.382 15.020 1.00 0.00 H new ATOM 0 HB3 ASN B 28 7.872 -7.957 14.226 1.00 0.00 H new ATOM 0 HD21 ASN B 28 8.756 -8.555 18.054 1.00 0.00 H new ATOM 0 HD22 ASN B 28 8.252 -9.776 16.881 1.00 0.00 H new ATOM 1423 N GLN B 29 6.200 -7.984 12.474 1.00 0.00 N ATOM 1424 CA GLN B 29 6.091 -7.604 11.070 1.00 0.00 C ATOM 1425 C GLN B 29 4.827 -8.181 10.441 1.00 0.00 C ATOM 1426 O GLN B 29 4.644 -9.397 10.391 1.00 0.00 O ATOM 1427 CB GLN B 29 7.321 -8.079 10.296 1.00 0.00 C ATOM 1428 CG GLN B 29 8.610 -7.394 10.724 1.00 0.00 C ATOM 1429 CD GLN B 29 9.521 -8.308 11.520 1.00 0.00 C ATOM 1430 OE1 GLN B 29 9.057 -9.178 12.256 1.00 0.00 O ATOM 1431 NE2 GLN B 29 10.827 -8.115 11.375 1.00 0.00 N ATOM 0 H GLN B 29 6.739 -8.834 12.641 1.00 0.00 H new ATOM 0 HA GLN B 29 6.033 -6.517 11.020 1.00 0.00 H new ATOM 0 HB2 GLN B 29 7.430 -9.155 10.428 1.00 0.00 H new ATOM 0 HB3 GLN B 29 7.161 -7.903 9.232 1.00 0.00 H new ATOM 0 HG2 GLN B 29 9.140 -7.040 9.840 1.00 0.00 H new ATOM 0 HG3 GLN B 29 8.369 -6.516 11.323 1.00 0.00 H new ATOM 0 HE21 GLN B 29 11.168 -7.382 10.754 1.00 0.00 H new ATOM 0 HE22 GLN B 29 11.489 -8.700 11.885 1.00 0.00 H new ATOM 1440 N VAL B 30 3.955 -7.296 9.969 1.00 0.00 N ATOM 1441 CA VAL B 30 2.702 -7.711 9.351 1.00 0.00 C ATOM 1442 C VAL B 30 2.849 -7.834 7.839 1.00 0.00 C ATOM 1443 O VAL B 30 3.444 -6.973 7.191 1.00 0.00 O ATOM 1444 CB VAL B 30 1.568 -6.715 9.662 1.00 0.00 C ATOM 1445 CG1 VAL B 30 1.165 -6.800 11.127 1.00 0.00 C ATOM 1446 CG2 VAL B 30 1.989 -5.299 9.298 1.00 0.00 C ATOM 0 H VAL B 30 4.094 -6.286 10.003 1.00 0.00 H new ATOM 0 HA VAL B 30 2.450 -8.685 9.770 1.00 0.00 H new ATOM 0 HB VAL B 30 0.701 -6.980 9.057 1.00 0.00 H new ATOM 0 HG11 VAL B 30 0.363 -6.089 11.326 1.00 0.00 H new ATOM 0 HG12 VAL B 30 0.819 -7.809 11.351 1.00 0.00 H new ATOM 0 HG13 VAL B 30 2.024 -6.563 11.755 1.00 0.00 H new ATOM 0 HG21 VAL B 30 1.177 -4.608 9.524 1.00 0.00 H new ATOM 0 HG22 VAL B 30 2.872 -5.022 9.875 1.00 0.00 H new ATOM 0 HG23 VAL B 30 2.221 -5.251 8.234 1.00 0.00 H new ATOM 1456 N ARG B 31 2.296 -8.908 7.279 1.00 0.00 N ATOM 1457 CA ARG B 31 2.358 -9.140 5.850 1.00 0.00 C ATOM 1458 C ARG B 31 1.336 -8.274 5.123 1.00 0.00 C ATOM 1459 O ARG B 31 0.134 -8.530 5.189 1.00 0.00 O ATOM 1460 CB ARG B 31 2.121 -10.620 5.539 1.00 0.00 C ATOM 1461 CG ARG B 31 3.388 -11.374 5.169 1.00 0.00 C ATOM 1462 CD ARG B 31 3.225 -12.872 5.371 1.00 0.00 C ATOM 1463 NE ARG B 31 3.651 -13.293 6.704 1.00 0.00 N ATOM 1464 CZ ARG B 31 3.944 -14.551 7.025 1.00 0.00 C ATOM 1465 NH1 ARG B 31 3.860 -15.513 6.114 1.00 0.00 N ATOM 1466 NH2 ARG B 31 4.324 -14.848 8.260 1.00 0.00 N ATOM 0 H ARG B 31 1.800 -9.630 7.801 1.00 0.00 H new ATOM 0 HA ARG B 31 3.353 -8.867 5.499 1.00 0.00 H new ATOM 0 HB2 ARG B 31 1.665 -11.097 6.407 1.00 0.00 H new ATOM 0 HB3 ARG B 31 1.407 -10.701 4.719 1.00 0.00 H new ATOM 0 HG2 ARG B 31 3.642 -11.172 4.128 1.00 0.00 H new ATOM 0 HG3 ARG B 31 4.218 -11.012 5.776 1.00 0.00 H new ATOM 0 HD2 ARG B 31 2.181 -13.147 5.220 1.00 0.00 H new ATOM 0 HD3 ARG B 31 3.807 -13.405 4.619 1.00 0.00 H new ATOM 0 HE ARG B 31 3.728 -12.581 7.431 1.00 0.00 H new ATOM 0 HH11 ARG B 31 3.570 -15.290 5.162 1.00 0.00 H new ATOM 0 HH12 ARG B 31 4.086 -16.475 6.366 1.00 0.00 H new ATOM 0 HH21 ARG B 31 4.392 -14.113 8.964 1.00 0.00 H new ATOM 0 HH22 ARG B 31 4.549 -15.812 8.507 1.00 0.00 H new ATOM 1480 N ILE B 32 1.816 -7.238 4.447 1.00 0.00 N ATOM 1481 CA ILE B 32 0.938 -6.323 3.729 1.00 0.00 C ATOM 1482 C ILE B 32 0.656 -6.813 2.313 1.00 0.00 C ATOM 1483 O ILE B 32 1.561 -7.246 1.600 1.00 0.00 O ATOM 1484 CB ILE B 32 1.550 -4.910 3.665 1.00 0.00 C ATOM 1485 CG1 ILE B 32 1.982 -4.462 5.064 1.00 0.00 C ATOM 1486 CG2 ILE B 32 0.559 -3.923 3.063 1.00 0.00 C ATOM 1487 CD1 ILE B 32 0.836 -4.352 6.045 1.00 0.00 C ATOM 0 H ILE B 32 2.808 -7.010 4.381 1.00 0.00 H new ATOM 0 HA ILE B 32 -0.002 -6.286 4.280 1.00 0.00 H new ATOM 0 HB ILE B 32 2.430 -4.937 3.022 1.00 0.00 H new ATOM 0 HG12 ILE B 32 2.715 -5.169 5.452 1.00 0.00 H new ATOM 0 HG13 ILE B 32 2.480 -3.495 4.989 1.00 0.00 H new ATOM 0 HG21 ILE B 32 1.010 -2.931 3.026 1.00 0.00 H new ATOM 0 HG22 ILE B 32 0.297 -4.240 2.053 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -0.341 -3.890 3.678 1.00 0.00 H new ATOM 0 HD11 ILE B 32 1.217 -4.030 7.014 1.00 0.00 H new ATOM 0 HD12 ILE B 32 0.112 -3.623 5.679 1.00 0.00 H new ATOM 0 HD13 ILE B 32 0.352 -5.323 6.149 1.00 0.00 H new ATOM 1499 N GLY B 33 -0.611 -6.740 1.913 1.00 0.00 N ATOM 1500 CA GLY B 33 -1.003 -7.176 0.586 1.00 0.00 C ATOM 1501 C GLY B 33 -1.311 -6.014 -0.335 1.00 0.00 C ATOM 1502 O GLY B 33 -2.195 -5.207 -0.051 1.00 0.00 O ATOM 0 H GLY B 33 -1.375 -6.385 2.488 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -0.204 -7.777 0.153 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -1.880 -7.819 0.662 1.00 0.00 H new ATOM 1506 N VAL B 34 -0.578 -5.925 -1.441 1.00 0.00 N ATOM 1507 CA VAL B 34 -0.781 -4.848 -2.400 1.00 0.00 C ATOM 1508 C VAL B 34 -1.256 -5.383 -3.746 1.00 0.00 C ATOM 1509 O VAL B 34 -0.470 -5.925 -4.525 1.00 0.00 O ATOM 1510 CB VAL B 34 0.510 -4.035 -2.613 1.00 0.00 C ATOM 1511 CG1 VAL B 34 0.224 -2.782 -3.427 1.00 0.00 C ATOM 1512 CG2 VAL B 34 1.146 -3.679 -1.278 1.00 0.00 C ATOM 0 H VAL B 34 0.159 -6.584 -1.693 1.00 0.00 H new ATOM 0 HA VAL B 34 -1.550 -4.198 -1.981 1.00 0.00 H new ATOM 0 HB VAL B 34 1.216 -4.650 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL B 34 1.148 -2.221 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -0.180 -3.064 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -0.501 -2.162 -2.899 1.00 0.00 H new ATOM 0 HG21 VAL B 34 2.056 -3.105 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL B 34 0.448 -3.084 -0.689 1.00 0.00 H new ATOM 0 HG23 VAL B 34 1.390 -4.593 -0.736 1.00 0.00 H new ATOM 1522 N ASN B 35 -2.547 -5.222 -4.014 1.00 0.00 N ATOM 1523 CA ASN B 35 -3.128 -5.682 -5.269 1.00 0.00 C ATOM 1524 C ASN B 35 -3.244 -4.528 -6.260 1.00 0.00 C ATOM 1525 O ASN B 35 -4.079 -3.636 -6.102 1.00 0.00 O ATOM 1526 CB ASN B 35 -4.500 -6.317 -5.028 1.00 0.00 C ATOM 1527 CG ASN B 35 -4.665 -7.633 -5.762 1.00 0.00 C ATOM 1528 OD1 ASN B 35 -4.527 -7.697 -6.984 1.00 0.00 O ATOM 1529 ND2 ASN B 35 -4.962 -8.693 -5.019 1.00 0.00 N ATOM 0 H ASN B 35 -3.210 -4.777 -3.380 1.00 0.00 H new ATOM 0 HA ASN B 35 -2.468 -6.438 -5.694 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -4.639 -6.480 -3.959 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -5.279 -5.625 -5.349 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -5.085 -9.605 -5.458 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -5.067 -8.595 -4.009 1.00 0.00 H new ATOM 1536 N ALA B 36 -2.392 -4.551 -7.276 1.00 0.00 N ATOM 1537 CA ALA B 36 -2.387 -3.506 -8.293 1.00 0.00 C ATOM 1538 C ALA B 36 -2.135 -4.080 -9.685 1.00 0.00 C ATOM 1539 O ALA B 36 -1.340 -5.006 -9.850 1.00 0.00 O ATOM 1540 CB ALA B 36 -1.339 -2.454 -7.960 1.00 0.00 C ATOM 0 H ALA B 36 -1.695 -5.282 -7.419 1.00 0.00 H new ATOM 0 HA ALA B 36 -3.373 -3.041 -8.298 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -1.345 -1.679 -8.727 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.566 -2.008 -6.992 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -0.354 -2.920 -7.923 1.00 0.00 H new ATOM 1546 N PRO B 37 -2.810 -3.531 -10.711 1.00 0.00 N ATOM 1547 CA PRO B 37 -2.656 -3.986 -12.093 1.00 0.00 C ATOM 1548 C PRO B 37 -1.394 -3.431 -12.745 1.00 0.00 C ATOM 1549 O PRO B 37 -0.874 -2.395 -12.331 1.00 0.00 O ATOM 1550 CB PRO B 37 -3.900 -3.426 -12.777 1.00 0.00 C ATOM 1551 CG PRO B 37 -4.199 -2.172 -12.032 1.00 0.00 C ATOM 1552 CD PRO B 37 -3.776 -2.418 -10.605 1.00 0.00 C ATOM 0 HA PRO B 37 -2.559 -5.069 -12.165 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -3.717 -3.227 -13.833 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -4.732 -4.128 -12.724 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -3.657 -1.328 -12.458 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -5.260 -1.930 -12.087 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -3.319 -1.532 -10.165 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -4.626 -2.684 -9.976 1.00 0.00 H new ATOM 1560 N LYS B 38 -0.906 -4.126 -13.766 1.00 0.00 N ATOM 1561 CA LYS B 38 0.296 -3.701 -14.475 1.00 0.00 C ATOM 1562 C LYS B 38 -0.012 -2.601 -15.494 1.00 0.00 C ATOM 1563 O LYS B 38 0.873 -2.166 -16.230 1.00 0.00 O ATOM 1564 CB LYS B 38 0.943 -4.897 -15.179 1.00 0.00 C ATOM 1565 CG LYS B 38 2.448 -4.981 -14.975 1.00 0.00 C ATOM 1566 CD LYS B 38 2.884 -6.386 -14.592 1.00 0.00 C ATOM 1567 CE LYS B 38 3.146 -6.501 -13.099 1.00 0.00 C ATOM 1568 NZ LYS B 38 1.896 -6.765 -12.333 1.00 0.00 N ATOM 0 H LYS B 38 -1.324 -4.986 -14.122 1.00 0.00 H new ATOM 0 HA LYS B 38 0.989 -3.294 -13.739 1.00 0.00 H new ATOM 0 HB2 LYS B 38 0.483 -5.815 -14.814 1.00 0.00 H new ATOM 0 HB3 LYS B 38 0.732 -4.837 -16.247 1.00 0.00 H new ATOM 0 HG2 LYS B 38 2.957 -4.678 -15.890 1.00 0.00 H new ATOM 0 HG3 LYS B 38 2.750 -4.281 -14.196 1.00 0.00 H new ATOM 0 HD2 LYS B 38 2.113 -7.099 -14.883 1.00 0.00 H new ATOM 0 HD3 LYS B 38 3.787 -6.650 -15.142 1.00 0.00 H new ATOM 0 HE2 LYS B 38 3.860 -7.304 -12.917 1.00 0.00 H new ATOM 0 HE3 LYS B 38 3.604 -5.580 -12.739 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 2.118 -6.836 -11.320 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 1.224 -5.986 -12.486 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 1.472 -7.657 -12.658 1.00 0.00 H new ATOM 1582 N GLU B 39 -1.267 -2.154 -15.536 1.00 0.00 N ATOM 1583 CA GLU B 39 -1.674 -1.110 -16.470 1.00 0.00 C ATOM 1584 C GLU B 39 -1.252 0.270 -15.971 1.00 0.00 C ATOM 1585 O GLU B 39 -0.783 1.102 -16.747 1.00 0.00 O ATOM 1586 CB GLU B 39 -3.189 -1.147 -16.678 1.00 0.00 C ATOM 1587 CG GLU B 39 -3.647 -0.432 -17.939 1.00 0.00 C ATOM 1588 CD GLU B 39 -3.666 -1.343 -19.151 1.00 0.00 C ATOM 1589 OE1 GLU B 39 -2.576 -1.662 -19.671 1.00 0.00 O ATOM 1590 OE2 GLU B 39 -4.770 -1.738 -19.580 1.00 0.00 O ATOM 0 H GLU B 39 -2.016 -2.499 -14.935 1.00 0.00 H new ATOM 0 HA GLU B 39 -1.176 -1.298 -17.421 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -3.516 -2.186 -16.720 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -3.677 -0.693 -15.815 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -4.645 -0.025 -17.779 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -2.986 0.412 -18.134 1.00 0.00 H new ATOM 1597 N VAL B 40 -1.421 0.508 -14.673 1.00 0.00 N ATOM 1598 CA VAL B 40 -1.054 1.790 -14.080 1.00 0.00 C ATOM 1599 C VAL B 40 0.411 1.797 -13.658 1.00 0.00 C ATOM 1600 O VAL B 40 0.982 0.752 -13.345 1.00 0.00 O ATOM 1601 CB VAL B 40 -1.935 2.126 -12.859 1.00 0.00 C ATOM 1602 CG1 VAL B 40 -1.773 3.587 -12.471 1.00 0.00 C ATOM 1603 CG2 VAL B 40 -3.394 1.802 -13.144 1.00 0.00 C ATOM 0 H VAL B 40 -1.808 -0.168 -14.014 1.00 0.00 H new ATOM 0 HA VAL B 40 -1.214 2.549 -14.846 1.00 0.00 H new ATOM 0 HB VAL B 40 -1.609 1.511 -12.020 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -2.402 3.806 -11.608 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -0.731 3.783 -12.220 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -2.070 4.221 -13.307 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -3.998 2.046 -12.270 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -3.737 2.387 -13.997 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -3.494 0.740 -13.369 1.00 0.00 H new ATOM 1613 N SER B 41 1.015 2.981 -13.653 1.00 0.00 N ATOM 1614 CA SER B 41 2.416 3.121 -13.272 1.00 0.00 C ATOM 1615 C SER B 41 2.613 2.792 -11.796 1.00 0.00 C ATOM 1616 O SER B 41 2.343 3.619 -10.925 1.00 0.00 O ATOM 1617 CB SER B 41 2.904 4.542 -13.558 1.00 0.00 C ATOM 1618 OG SER B 41 2.362 5.033 -14.772 1.00 0.00 O ATOM 0 H SER B 41 0.557 3.856 -13.908 1.00 0.00 H new ATOM 0 HA SER B 41 3.000 2.417 -13.865 1.00 0.00 H new ATOM 0 HB2 SER B 41 2.619 5.200 -12.737 1.00 0.00 H new ATOM 0 HB3 SER B 41 3.993 4.552 -13.612 1.00 0.00 H new ATOM 0 HG SER B 41 2.688 5.943 -14.931 1.00 0.00 H new ATOM 1624 N VAL B 42 3.085 1.580 -11.521 1.00 0.00 N ATOM 1625 CA VAL B 42 3.316 1.147 -10.149 1.00 0.00 C ATOM 1626 C VAL B 42 4.773 0.736 -9.936 1.00 0.00 C ATOM 1627 O VAL B 42 5.269 -0.177 -10.596 1.00 0.00 O ATOM 1628 CB VAL B 42 2.399 -0.035 -9.774 1.00 0.00 C ATOM 1629 CG1 VAL B 42 2.699 -1.246 -10.644 1.00 0.00 C ATOM 1630 CG2 VAL B 42 2.544 -0.378 -8.299 1.00 0.00 C ATOM 0 H VAL B 42 3.314 0.882 -12.229 1.00 0.00 H new ATOM 0 HA VAL B 42 3.086 1.996 -9.506 1.00 0.00 H new ATOM 0 HB VAL B 42 1.366 0.262 -9.954 1.00 0.00 H new ATOM 0 HG11 VAL B 42 2.041 -2.068 -10.363 1.00 0.00 H new ATOM 0 HG12 VAL B 42 2.534 -0.992 -11.691 1.00 0.00 H new ATOM 0 HG13 VAL B 42 3.737 -1.547 -10.503 1.00 0.00 H new ATOM 0 HG21 VAL B 42 1.889 -1.214 -8.054 1.00 0.00 H new ATOM 0 HG22 VAL B 42 3.578 -0.653 -8.089 1.00 0.00 H new ATOM 0 HG23 VAL B 42 2.269 0.487 -7.696 1.00 0.00 H new ATOM 1640 N HIS B 43 5.451 1.407 -9.009 1.00 0.00 N ATOM 1641 CA HIS B 43 6.845 1.103 -8.710 1.00 0.00 C ATOM 1642 C HIS B 43 7.038 0.891 -7.212 1.00 0.00 C ATOM 1643 O HIS B 43 6.514 1.649 -6.397 1.00 0.00 O ATOM 1644 CB HIS B 43 7.754 2.232 -9.199 1.00 0.00 C ATOM 1645 CG HIS B 43 8.154 2.099 -10.636 1.00 0.00 C ATOM 1646 ND1 HIS B 43 7.363 1.485 -11.584 1.00 0.00 N ATOM 1647 CD2 HIS B 43 9.270 2.505 -11.288 1.00 0.00 C ATOM 1648 CE1 HIS B 43 7.973 1.518 -12.755 1.00 0.00 C ATOM 1649 NE2 HIS B 43 9.132 2.132 -12.603 1.00 0.00 N ATOM 0 H HIS B 43 5.056 2.165 -8.452 1.00 0.00 H new ATOM 0 HA HIS B 43 7.113 0.184 -9.231 1.00 0.00 H new ATOM 0 HB2 HIS B 43 7.243 3.185 -9.059 1.00 0.00 H new ATOM 0 HB3 HIS B 43 8.652 2.258 -8.581 1.00 0.00 H new ATOM 0 HD2 HIS B 43 10.112 3.025 -10.855 1.00 0.00 H new ATOM 0 HE1 HIS B 43 7.589 1.112 -13.679 1.00 0.00 H new ATOM 0 HE2 HIS B 43 9.814 2.302 -13.342 1.00 0.00 H new ATOM 1657 N ARG B 44 7.792 -0.143 -6.854 1.00 0.00 N ATOM 1658 CA ARG B 44 8.050 -0.447 -5.451 1.00 0.00 C ATOM 1659 C ARG B 44 9.490 -0.906 -5.252 1.00 0.00 C ATOM 1660 O ARG B 44 10.276 -0.245 -4.574 1.00 0.00 O ATOM 1661 CB ARG B 44 7.086 -1.527 -4.955 1.00 0.00 C ATOM 1662 CG ARG B 44 5.651 -1.318 -5.408 1.00 0.00 C ATOM 1663 CD ARG B 44 4.686 -2.190 -4.620 1.00 0.00 C ATOM 1664 NE ARG B 44 3.384 -2.295 -5.273 1.00 0.00 N ATOM 1665 CZ ARG B 44 3.128 -3.112 -6.293 1.00 0.00 C ATOM 1666 NH1 ARG B 44 4.083 -3.894 -6.781 1.00 0.00 N ATOM 1667 NH2 ARG B 44 1.915 -3.146 -6.826 1.00 0.00 N ATOM 0 H ARG B 44 8.234 -0.783 -7.514 1.00 0.00 H new ATOM 0 HA ARG B 44 7.893 0.463 -4.873 1.00 0.00 H new ATOM 0 HB2 ARG B 44 7.431 -2.499 -5.307 1.00 0.00 H new ATOM 0 HB3 ARG B 44 7.114 -1.554 -3.866 1.00 0.00 H new ATOM 0 HG2 ARG B 44 5.379 -0.270 -5.286 1.00 0.00 H new ATOM 0 HG3 ARG B 44 5.566 -1.548 -6.470 1.00 0.00 H new ATOM 0 HD2 ARG B 44 5.113 -3.186 -4.500 1.00 0.00 H new ATOM 0 HD3 ARG B 44 4.557 -1.776 -3.620 1.00 0.00 H new ATOM 0 HE ARG B 44 2.625 -1.707 -4.927 1.00 0.00 H new ATOM 0 HH11 ARG B 44 5.018 -3.871 -6.375 1.00 0.00 H new ATOM 0 HH12 ARG B 44 3.882 -4.518 -7.562 1.00 0.00 H new ATOM 0 HH21 ARG B 44 1.178 -2.546 -6.455 1.00 0.00 H new ATOM 0 HH22 ARG B 44 1.719 -3.772 -7.607 1.00 0.00 H new ATOM 1681 N GLU B 45 9.828 -2.044 -5.849 1.00 0.00 N ATOM 1682 CA GLU B 45 11.173 -2.594 -5.741 1.00 0.00 C ATOM 1683 C GLU B 45 11.369 -3.740 -6.729 1.00 0.00 C ATOM 1684 O GLU B 45 10.500 -4.599 -6.881 1.00 0.00 O ATOM 1685 CB GLU B 45 11.435 -3.078 -4.313 1.00 0.00 C ATOM 1686 CG GLU B 45 12.285 -2.119 -3.494 1.00 0.00 C ATOM 1687 CD GLU B 45 13.355 -2.830 -2.688 1.00 0.00 C ATOM 1688 OE1 GLU B 45 14.333 -3.314 -3.296 1.00 0.00 O ATOM 1689 OE2 GLU B 45 13.213 -2.904 -1.449 1.00 0.00 O ATOM 0 H GLU B 45 9.188 -2.603 -6.413 1.00 0.00 H new ATOM 0 HA GLU B 45 11.886 -1.805 -5.983 1.00 0.00 H new ATOM 0 HB2 GLU B 45 10.481 -3.228 -3.808 1.00 0.00 H new ATOM 0 HB3 GLU B 45 11.931 -4.048 -4.352 1.00 0.00 H new ATOM 0 HG2 GLU B 45 12.757 -1.398 -4.161 1.00 0.00 H new ATOM 0 HG3 GLU B 45 11.641 -1.555 -2.819 1.00 0.00 H new ATOM 1696 N GLU B 46 12.518 -3.746 -7.398 1.00 0.00 N ATOM 1697 CA GLU B 46 12.831 -4.783 -8.374 1.00 0.00 C ATOM 1698 C GLU B 46 12.714 -6.172 -7.753 1.00 0.00 C ATOM 1699 O GLU B 46 12.008 -7.035 -8.272 1.00 0.00 O ATOM 1700 CB GLU B 46 14.241 -4.578 -8.932 1.00 0.00 C ATOM 1701 CG GLU B 46 14.470 -3.190 -9.507 1.00 0.00 C ATOM 1702 CD GLU B 46 15.837 -3.042 -10.146 1.00 0.00 C ATOM 1703 OE1 GLU B 46 16.122 -3.776 -11.116 1.00 0.00 O ATOM 1704 OE2 GLU B 46 16.623 -2.191 -9.678 1.00 0.00 O ATOM 0 H GLU B 46 13.248 -3.043 -7.281 1.00 0.00 H new ATOM 0 HA GLU B 46 12.110 -4.709 -9.188 1.00 0.00 H new ATOM 0 HB2 GLU B 46 14.967 -4.758 -8.139 1.00 0.00 H new ATOM 0 HB3 GLU B 46 14.427 -5.320 -9.709 1.00 0.00 H new ATOM 0 HG2 GLU B 46 13.701 -2.977 -10.249 1.00 0.00 H new ATOM 0 HG3 GLU B 46 14.362 -2.450 -8.714 1.00 0.00 H new ATOM 1711 N ILE B 47 13.410 -6.379 -6.640 1.00 0.00 N ATOM 1712 CA ILE B 47 13.383 -7.662 -5.948 1.00 0.00 C ATOM 1713 C ILE B 47 11.991 -7.963 -5.400 1.00 0.00 C ATOM 1714 O ILE B 47 11.512 -9.094 -5.484 1.00 0.00 O ATOM 1715 CB ILE B 47 14.402 -7.694 -4.790 1.00 0.00 C ATOM 1716 CG1 ILE B 47 14.436 -9.080 -4.144 1.00 0.00 C ATOM 1717 CG2 ILE B 47 14.066 -6.629 -3.756 1.00 0.00 C ATOM 1718 CD1 ILE B 47 15.441 -9.197 -3.019 1.00 0.00 C ATOM 0 H ILE B 47 14.000 -5.674 -6.198 1.00 0.00 H new ATOM 0 HA ILE B 47 13.652 -8.424 -6.679 1.00 0.00 H new ATOM 0 HB ILE B 47 15.391 -7.480 -5.194 1.00 0.00 H new ATOM 0 HG12 ILE B 47 13.444 -9.318 -3.760 1.00 0.00 H new ATOM 0 HG13 ILE B 47 14.669 -9.822 -4.907 1.00 0.00 H new ATOM 0 HG21 ILE B 47 14.795 -6.665 -2.946 1.00 0.00 H new ATOM 0 HG22 ILE B 47 14.093 -5.645 -4.225 1.00 0.00 H new ATOM 0 HG23 ILE B 47 13.069 -6.812 -3.356 1.00 0.00 H new ATOM 0 HD11 ILE B 47 15.411 -10.206 -2.608 1.00 0.00 H new ATOM 0 HD12 ILE B 47 16.441 -8.991 -3.401 1.00 0.00 H new ATOM 0 HD13 ILE B 47 15.197 -8.479 -2.237 1.00 0.00 H new ATOM 1730 N TYR B 48 11.350 -6.946 -4.833 1.00 0.00 N ATOM 1731 CA TYR B 48 10.013 -7.098 -4.261 1.00 0.00 C ATOM 1732 C TYR B 48 9.089 -7.880 -5.193 1.00 0.00 C ATOM 1733 O TYR B 48 8.407 -8.811 -4.764 1.00 0.00 O ATOM 1734 CB TYR B 48 9.407 -5.726 -3.959 1.00 0.00 C ATOM 1735 CG TYR B 48 9.729 -5.215 -2.573 1.00 0.00 C ATOM 1736 CD1 TYR B 48 11.026 -5.267 -2.077 1.00 0.00 C ATOM 1737 CD2 TYR B 48 8.737 -4.679 -1.761 1.00 0.00 C ATOM 1738 CE1 TYR B 48 11.324 -4.801 -0.811 1.00 0.00 C ATOM 1739 CE2 TYR B 48 9.028 -4.210 -0.494 1.00 0.00 C ATOM 1740 CZ TYR B 48 10.323 -4.273 -0.024 1.00 0.00 C ATOM 1741 OH TYR B 48 10.616 -3.807 1.237 1.00 0.00 O ATOM 0 H TYR B 48 11.735 -6.004 -4.756 1.00 0.00 H new ATOM 0 HA TYR B 48 10.113 -7.662 -3.334 1.00 0.00 H new ATOM 0 HB2 TYR B 48 9.769 -5.008 -4.695 1.00 0.00 H new ATOM 0 HB3 TYR B 48 8.325 -5.783 -4.074 1.00 0.00 H new ATOM 0 HD1 TYR B 48 11.814 -5.678 -2.691 1.00 0.00 H new ATOM 0 HD2 TYR B 48 7.722 -4.628 -2.126 1.00 0.00 H new ATOM 0 HE1 TYR B 48 12.337 -4.850 -0.440 1.00 0.00 H new ATOM 0 HE2 TYR B 48 8.245 -3.796 0.125 1.00 0.00 H new ATOM 0 HH TYR B 48 10.334 -2.872 1.314 1.00 0.00 H new ATOM 1751 N GLN B 49 9.065 -7.497 -6.465 1.00 0.00 N ATOM 1752 CA GLN B 49 8.215 -8.167 -7.444 1.00 0.00 C ATOM 1753 C GLN B 49 8.935 -9.347 -8.095 1.00 0.00 C ATOM 1754 O GLN B 49 8.388 -10.446 -8.179 1.00 0.00 O ATOM 1755 CB GLN B 49 7.757 -7.176 -8.518 1.00 0.00 C ATOM 1756 CG GLN B 49 8.895 -6.604 -9.347 1.00 0.00 C ATOM 1757 CD GLN B 49 8.485 -5.368 -10.124 1.00 0.00 C ATOM 1758 OE1 GLN B 49 7.607 -4.617 -9.700 1.00 0.00 O ATOM 1759 NE2 GLN B 49 9.122 -5.151 -11.269 1.00 0.00 N ATOM 0 H GLN B 49 9.622 -6.730 -6.842 1.00 0.00 H new ATOM 0 HA GLN B 49 7.343 -8.553 -6.916 1.00 0.00 H new ATOM 0 HB2 GLN B 49 7.050 -7.674 -9.182 1.00 0.00 H new ATOM 0 HB3 GLN B 49 7.221 -6.357 -8.039 1.00 0.00 H new ATOM 0 HG2 GLN B 49 9.729 -6.356 -8.691 1.00 0.00 H new ATOM 0 HG3 GLN B 49 9.251 -7.364 -10.042 1.00 0.00 H new ATOM 0 HE21 GLN B 49 9.844 -5.800 -11.582 1.00 0.00 H new ATOM 0 HE22 GLN B 49 8.890 -4.335 -11.835 1.00 0.00 H new ATOM 1768 N ARG B 50 10.157 -9.110 -8.565 1.00 0.00 N ATOM 1769 CA ARG B 50 10.949 -10.150 -9.224 1.00 0.00 C ATOM 1770 C ARG B 50 11.081 -11.410 -8.366 1.00 0.00 C ATOM 1771 O ARG B 50 11.437 -12.473 -8.873 1.00 0.00 O ATOM 1772 CB ARG B 50 12.341 -9.617 -9.566 1.00 0.00 C ATOM 1773 CG ARG B 50 12.366 -8.720 -10.794 1.00 0.00 C ATOM 1774 CD ARG B 50 13.522 -9.070 -11.718 1.00 0.00 C ATOM 1775 NE ARG B 50 13.579 -10.502 -12.005 1.00 0.00 N ATOM 1776 CZ ARG B 50 14.666 -11.127 -12.451 1.00 0.00 C ATOM 1777 NH1 ARG B 50 15.788 -10.451 -12.667 1.00 0.00 N ATOM 1778 NH2 ARG B 50 14.632 -12.432 -12.683 1.00 0.00 N ATOM 0 H ARG B 50 10.623 -8.205 -8.502 1.00 0.00 H new ATOM 0 HA ARG B 50 10.421 -10.423 -10.137 1.00 0.00 H new ATOM 0 HB2 ARG B 50 12.727 -9.060 -8.712 1.00 0.00 H new ATOM 0 HB3 ARG B 50 13.013 -10.459 -9.728 1.00 0.00 H new ATOM 0 HG2 ARG B 50 11.425 -8.816 -11.335 1.00 0.00 H new ATOM 0 HG3 ARG B 50 12.450 -7.679 -10.483 1.00 0.00 H new ATOM 0 HD2 ARG B 50 13.420 -8.517 -12.652 1.00 0.00 H new ATOM 0 HD3 ARG B 50 14.460 -8.754 -11.261 1.00 0.00 H new ATOM 0 HE ARG B 50 12.735 -11.055 -11.854 1.00 0.00 H new ATOM 0 HH11 ARG B 50 15.820 -9.447 -12.491 1.00 0.00 H new ATOM 0 HH12 ARG B 50 16.618 -10.936 -13.009 1.00 0.00 H new ATOM 0 HH21 ARG B 50 13.773 -12.957 -12.520 1.00 0.00 H new ATOM 0 HH22 ARG B 50 15.465 -12.911 -13.025 1.00 0.00 H new ATOM 1792 N ILE B 51 10.806 -11.290 -7.071 1.00 0.00 N ATOM 1793 CA ILE B 51 10.909 -12.427 -6.163 1.00 0.00 C ATOM 1794 C ILE B 51 9.531 -12.857 -5.663 1.00 0.00 C ATOM 1795 O ILE B 51 9.176 -14.033 -5.733 1.00 0.00 O ATOM 1796 CB ILE B 51 11.823 -12.100 -4.955 1.00 0.00 C ATOM 1797 CG1 ILE B 51 13.295 -12.072 -5.383 1.00 0.00 C ATOM 1798 CG2 ILE B 51 11.625 -13.111 -3.832 1.00 0.00 C ATOM 1799 CD1 ILE B 51 13.566 -11.227 -6.612 1.00 0.00 C ATOM 0 H ILE B 51 10.511 -10.420 -6.628 1.00 0.00 H new ATOM 0 HA ILE B 51 11.353 -13.249 -6.725 1.00 0.00 H new ATOM 0 HB ILE B 51 11.546 -11.113 -4.584 1.00 0.00 H new ATOM 0 HG12 ILE B 51 13.896 -11.694 -4.556 1.00 0.00 H new ATOM 0 HG13 ILE B 51 13.625 -13.092 -5.577 1.00 0.00 H new ATOM 0 HG21 ILE B 51 12.278 -12.859 -2.996 1.00 0.00 H new ATOM 0 HG22 ILE B 51 10.587 -13.088 -3.501 1.00 0.00 H new ATOM 0 HG23 ILE B 51 11.869 -14.110 -4.194 1.00 0.00 H new ATOM 0 HD11 ILE B 51 14.629 -11.260 -6.849 1.00 0.00 H new ATOM 0 HD12 ILE B 51 12.995 -11.616 -7.455 1.00 0.00 H new ATOM 0 HD13 ILE B 51 13.269 -10.196 -6.418 1.00 0.00 H new ATOM 1811 N GLN B 52 8.759 -11.899 -5.158 1.00 0.00 N ATOM 1812 CA GLN B 52 7.424 -12.191 -4.648 1.00 0.00 C ATOM 1813 C GLN B 52 6.453 -12.464 -5.791 1.00 0.00 C ATOM 1814 O GLN B 52 5.877 -13.549 -5.881 1.00 0.00 O ATOM 1815 CB GLN B 52 6.911 -11.032 -3.791 1.00 0.00 C ATOM 1816 CG GLN B 52 6.106 -11.481 -2.581 1.00 0.00 C ATOM 1817 CD GLN B 52 5.017 -12.474 -2.937 1.00 0.00 C ATOM 1818 OE1 GLN B 52 4.350 -12.342 -3.964 1.00 0.00 O ATOM 1819 NE2 GLN B 52 4.830 -13.478 -2.088 1.00 0.00 N ATOM 0 H GLN B 52 9.033 -10.919 -5.091 1.00 0.00 H new ATOM 0 HA GLN B 52 7.489 -13.085 -4.028 1.00 0.00 H new ATOM 0 HB2 GLN B 52 7.760 -10.438 -3.452 1.00 0.00 H new ATOM 0 HB3 GLN B 52 6.292 -10.381 -4.408 1.00 0.00 H new ATOM 0 HG2 GLN B 52 6.778 -11.931 -1.850 1.00 0.00 H new ATOM 0 HG3 GLN B 52 5.656 -10.609 -2.106 1.00 0.00 H new ATOM 0 HE21 GLN B 52 5.405 -13.550 -1.249 1.00 0.00 H new ATOM 0 HE22 GLN B 52 4.111 -14.177 -2.275 1.00 0.00 H new ATOM 1828 N ALA B 53 6.274 -11.478 -6.665 1.00 0.00 N ATOM 1829 CA ALA B 53 5.373 -11.621 -7.799 1.00 0.00 C ATOM 1830 C ALA B 53 5.925 -12.618 -8.810 1.00 0.00 C ATOM 1831 O ALA B 53 5.175 -13.378 -9.422 1.00 0.00 O ATOM 1832 CB ALA B 53 5.137 -10.270 -8.459 1.00 0.00 C ATOM 0 H ALA B 53 6.741 -10.573 -6.608 1.00 0.00 H new ATOM 0 HA ALA B 53 4.420 -12.003 -7.432 1.00 0.00 H new ATOM 0 HB1 ALA B 53 4.461 -10.392 -9.306 1.00 0.00 H new ATOM 0 HB2 ALA B 53 4.694 -9.585 -7.737 1.00 0.00 H new ATOM 0 HB3 ALA B 53 6.087 -9.865 -8.808 1.00 0.00 H new ATOM 1838 N GLU B 54 7.243 -12.610 -8.977 1.00 0.00 N ATOM 1839 CA GLU B 54 7.902 -13.513 -9.910 1.00 0.00 C ATOM 1840 C GLU B 54 8.790 -14.505 -9.167 1.00 0.00 C ATOM 1841 O GLU B 54 9.679 -14.115 -8.411 1.00 0.00 O ATOM 1842 CB GLU B 54 8.734 -12.721 -10.920 1.00 0.00 C ATOM 1843 CG GLU B 54 7.924 -12.192 -12.093 1.00 0.00 C ATOM 1844 CD GLU B 54 8.328 -10.787 -12.495 1.00 0.00 C ATOM 1845 OE1 GLU B 54 8.078 -9.850 -11.709 1.00 0.00 O ATOM 1846 OE2 GLU B 54 8.895 -10.625 -13.596 1.00 0.00 O ATOM 0 H GLU B 54 7.876 -11.986 -8.477 1.00 0.00 H new ATOM 0 HA GLU B 54 7.132 -14.070 -10.444 1.00 0.00 H new ATOM 0 HB2 GLU B 54 9.209 -11.883 -10.410 1.00 0.00 H new ATOM 0 HB3 GLU B 54 9.533 -13.358 -11.299 1.00 0.00 H new ATOM 0 HG2 GLU B 54 8.048 -12.860 -12.946 1.00 0.00 H new ATOM 0 HG3 GLU B 54 6.866 -12.201 -11.832 1.00 0.00 H new ATOM 1853 N LYS B 55 8.537 -15.788 -9.384 1.00 0.00 N ATOM 1854 CA LYS B 55 9.306 -16.844 -8.735 1.00 0.00 C ATOM 1855 C LYS B 55 10.795 -16.704 -9.035 1.00 0.00 C ATOM 1856 O LYS B 55 11.252 -17.029 -10.130 1.00 0.00 O ATOM 1857 CB LYS B 55 8.810 -18.217 -9.192 1.00 0.00 C ATOM 1858 CG LYS B 55 7.655 -18.755 -8.361 1.00 0.00 C ATOM 1859 CD LYS B 55 7.771 -20.257 -8.145 1.00 0.00 C ATOM 1860 CE LYS B 55 6.648 -21.010 -8.840 1.00 0.00 C ATOM 1861 NZ LYS B 55 6.914 -22.474 -8.900 1.00 0.00 N ATOM 0 H LYS B 55 7.803 -16.125 -10.007 1.00 0.00 H new ATOM 0 HA LYS B 55 9.163 -16.750 -7.658 1.00 0.00 H new ATOM 0 HB2 LYS B 55 8.498 -18.153 -10.234 1.00 0.00 H new ATOM 0 HB3 LYS B 55 9.637 -18.925 -9.150 1.00 0.00 H new ATOM 0 HG2 LYS B 55 7.634 -18.249 -7.396 1.00 0.00 H new ATOM 0 HG3 LYS B 55 6.712 -18.530 -8.859 1.00 0.00 H new ATOM 0 HD2 LYS B 55 8.732 -20.606 -8.522 1.00 0.00 H new ATOM 0 HD3 LYS B 55 7.749 -20.474 -7.077 1.00 0.00 H new ATOM 0 HE2 LYS B 55 5.711 -20.833 -8.312 1.00 0.00 H new ATOM 0 HE3 LYS B 55 6.522 -20.622 -9.851 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 6.125 -22.951 -9.381 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 7.795 -22.646 -9.426 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 7.008 -22.850 -7.935 1.00 0.00 H new