USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=18 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 Set 1.1: A 1 MET N :NH3+ -175:sc= 0.139 (180deg=-0.929) USER MOD Set 1.2: B 35 ASN : amide:sc= 0.989 K(o=1.1,f=-11!) USER MOD Set 2.1: A 35 ASN : amide:sc= 0.933 K(o=1.1,f=-11!) USER MOD Set 2.2: B 1 MET N :NH3+ 180:sc= 0.128 (180deg=-0.863) USER MOD Single : A 1 MET CE :methyl 156:sc= -0.0153 (180deg=-0.588) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0878 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 176:sc= 0 (180deg=-0.00474) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.712 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.114 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) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc=-0.00358 X(o=-0.0036,f=-0.1) USER MOD Single : A 52 GLN : amide:sc= -0.746 K(o=-0.75,f=-2.7!) USER MOD Single : A 55 LYS NZ :NH3+ 160:sc= -0.0582 (180deg=-0.377) USER MOD Single : B 1 MET CE :methyl 156:sc= -0.0445 (180deg=-0.669) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0.13 USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 MET CE :methyl 176:sc= 0 (180deg=-0.00412) USER MOD Single : B 19 THR OG1 : rot 180:sc= -0.744 USER MOD Single : B 21 THR OG1 : rot 180:sc= -0.119 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) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 43 HIS : no HD1:sc= -0.459 X(o=-0.46,f=0) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 52 GLN : amide:sc= -0.747 K(o=-0.75,f=-2.6!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.095 -9.354 -6.097 1.00 0.00 N ATOM 2 CA MET A 1 -1.062 -9.978 -4.748 1.00 0.00 C ATOM 3 C MET A 1 0.370 -10.260 -4.307 1.00 0.00 C ATOM 4 O MET A 1 0.907 -11.339 -4.559 1.00 0.00 O ATOM 5 CB MET A 1 -1.866 -11.278 -4.793 1.00 0.00 C ATOM 6 CG MET A 1 -2.319 -11.761 -3.424 1.00 0.00 C ATOM 7 SD MET A 1 -3.960 -12.505 -3.458 1.00 0.00 S ATOM 8 CE MET A 1 -3.800 -13.613 -4.856 1.00 0.00 C ATOM 0 H1 MET A 1 -2.074 -9.096 -6.336 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.501 -8.500 -6.099 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.733 -10.029 -6.801 1.00 0.00 H new ATOM 0 HA MET A 1 -1.499 -9.290 -4.024 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.742 -11.132 -5.426 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.260 -12.054 -5.261 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.602 -12.489 -3.044 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.319 -10.922 -2.729 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.522 -14.424 -4.762 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.989 -13.064 -5.779 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.791 -14.026 -4.880 1.00 0.00 H new ATOM 20 N LEU A 2 0.982 -9.284 -3.645 1.00 0.00 N ATOM 21 CA LEU A 2 2.352 -9.429 -3.164 1.00 0.00 C ATOM 22 C LEU A 2 2.423 -9.226 -1.653 1.00 0.00 C ATOM 23 O LEU A 2 2.131 -8.140 -1.153 1.00 0.00 O ATOM 24 CB LEU A 2 3.269 -8.426 -3.867 1.00 0.00 C ATOM 25 CG LEU A 2 3.381 -8.602 -5.382 1.00 0.00 C ATOM 26 CD1 LEU A 2 2.092 -8.176 -6.066 1.00 0.00 C ATOM 27 CD2 LEU A 2 4.561 -7.810 -5.924 1.00 0.00 C ATOM 0 H LEU A 2 0.552 -8.385 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 2 2.686 -10.441 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.907 -7.419 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.266 -8.502 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 2 3.549 -9.658 -5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.191 -8.308 -7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.267 -8.787 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.893 -7.127 -5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 2 4.626 -7.947 -7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.423 -6.752 -5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.481 -8.163 -5.458 1.00 0.00 H new ATOM 39 N ILE A 3 2.823 -10.268 -0.927 1.00 0.00 N ATOM 40 CA ILE A 3 2.937 -10.174 0.523 1.00 0.00 C ATOM 41 C ILE A 3 4.383 -9.905 0.929 1.00 0.00 C ATOM 42 O ILE A 3 5.232 -10.796 0.894 1.00 0.00 O ATOM 43 CB ILE A 3 2.418 -11.452 1.219 1.00 0.00 C ATOM 44 CG1 ILE A 3 2.341 -11.242 2.733 1.00 0.00 C ATOM 45 CG2 ILE A 3 3.295 -12.649 0.887 1.00 0.00 C ATOM 46 CD1 ILE A 3 1.174 -11.959 3.382 1.00 0.00 C ATOM 0 H ILE A 3 3.071 -11.178 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 3 2.315 -9.340 0.847 1.00 0.00 H new ATOM 0 HB ILE A 3 1.415 -11.658 0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 3 3.269 -11.588 3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.263 -10.175 2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.907 -13.535 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.293 -12.813 -0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.314 -12.458 1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.180 -11.767 4.455 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.240 -11.596 2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.261 -13.031 3.205 1.00 0.00 H new ATOM 58 N LEU A 4 4.649 -8.663 1.317 1.00 0.00 N ATOM 59 CA LEU A 4 5.983 -8.256 1.738 1.00 0.00 C ATOM 60 C LEU A 4 5.955 -7.623 3.125 1.00 0.00 C ATOM 61 O LEU A 4 5.272 -6.621 3.338 1.00 0.00 O ATOM 62 CB LEU A 4 6.576 -7.274 0.728 1.00 0.00 C ATOM 63 CG LEU A 4 6.456 -7.705 -0.737 1.00 0.00 C ATOM 64 CD1 LEU A 4 5.945 -6.556 -1.594 1.00 0.00 C ATOM 65 CD2 LEU A 4 7.795 -8.212 -1.258 1.00 0.00 C ATOM 0 H LEU A 4 3.954 -7.917 1.348 1.00 0.00 H new ATOM 0 HA LEU A 4 6.608 -9.147 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.084 -6.309 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.630 -7.126 0.963 1.00 0.00 H new ATOM 0 HG LEU A 4 5.736 -8.521 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.867 -6.882 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.964 -6.244 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.638 -5.717 -1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.689 -8.513 -2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.539 -7.418 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.116 -9.067 -0.664 1.00 0.00 H new ATOM 77 N THR A 5 6.701 -8.192 4.068 1.00 0.00 N ATOM 78 CA THR A 5 6.745 -7.641 5.418 1.00 0.00 C ATOM 79 C THR A 5 7.129 -6.169 5.370 1.00 0.00 C ATOM 80 O THR A 5 8.006 -5.774 4.602 1.00 0.00 O ATOM 81 CB THR A 5 7.734 -8.411 6.291 1.00 0.00 C ATOM 82 OG1 THR A 5 8.070 -9.653 5.699 1.00 0.00 O ATOM 83 CG2 THR A 5 7.202 -8.690 7.679 1.00 0.00 C ATOM 0 H THR A 5 7.276 -9.023 3.925 1.00 0.00 H new ATOM 0 HA THR A 5 5.752 -7.738 5.858 1.00 0.00 H new ATOM 0 HB THR A 5 8.611 -7.769 6.374 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.706 -10.128 6.274 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.949 -9.239 8.251 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.981 -7.748 8.180 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.291 -9.284 7.607 1.00 0.00 H new ATOM 91 N ARG A 6 6.467 -5.358 6.183 1.00 0.00 N ATOM 92 CA ARG A 6 6.750 -3.932 6.208 1.00 0.00 C ATOM 93 C ARG A 6 6.523 -3.335 7.590 1.00 0.00 C ATOM 94 O ARG A 6 5.612 -3.735 8.319 1.00 0.00 O ATOM 95 CB ARG A 6 5.885 -3.204 5.178 1.00 0.00 C ATOM 96 CG ARG A 6 6.391 -3.341 3.751 1.00 0.00 C ATOM 97 CD ARG A 6 5.374 -2.821 2.748 1.00 0.00 C ATOM 98 NE ARG A 6 5.627 -3.324 1.400 1.00 0.00 N ATOM 99 CZ ARG A 6 4.970 -2.912 0.319 1.00 0.00 C ATOM 100 NH1 ARG A 6 4.022 -1.988 0.421 1.00 0.00 N ATOM 101 NH2 ARG A 6 5.263 -3.422 -0.870 1.00 0.00 N ATOM 0 H ARG A 6 5.737 -5.660 6.828 1.00 0.00 H new ATOM 0 HA ARG A 6 7.803 -3.802 5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.867 -3.591 5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.838 -2.146 5.438 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.326 -2.792 3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.609 -4.388 3.540 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.372 -3.115 3.062 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.399 -1.731 2.739 1.00 0.00 H new ATOM 0 HE ARG A 6 6.350 -4.033 1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 6 3.794 -1.590 1.332 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.522 -1.676 -0.412 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.992 -4.130 -0.956 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.759 -3.106 -1.699 1.00 0.00 H new ATOM 115 N ARG A 7 7.365 -2.365 7.926 1.00 0.00 N ATOM 116 CA ARG A 7 7.300 -1.665 9.203 1.00 0.00 C ATOM 117 C ARG A 7 8.480 -0.703 9.319 1.00 0.00 C ATOM 118 O ARG A 7 8.329 0.502 9.122 1.00 0.00 O ATOM 119 CB ARG A 7 7.291 -2.654 10.374 1.00 0.00 C ATOM 120 CG ARG A 7 6.853 -2.030 11.692 1.00 0.00 C ATOM 121 CD ARG A 7 7.952 -2.094 12.743 1.00 0.00 C ATOM 122 NE ARG A 7 8.337 -0.764 13.210 1.00 0.00 N ATOM 123 CZ ARG A 7 9.040 -0.543 14.319 1.00 0.00 C ATOM 124 NH1 ARG A 7 9.435 -1.559 15.076 1.00 0.00 N ATOM 125 NH2 ARG A 7 9.348 0.698 14.671 1.00 0.00 N ATOM 0 H ARG A 7 8.116 -2.040 7.317 1.00 0.00 H new ATOM 0 HA ARG A 7 6.370 -1.098 9.244 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.625 -3.483 10.134 1.00 0.00 H new ATOM 0 HB3 ARG A 7 8.290 -3.073 10.494 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.570 -0.991 11.525 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.967 -2.546 12.061 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.611 -2.691 13.589 1.00 0.00 H new ATOM 0 HD3 ARG A 7 8.824 -2.599 12.327 1.00 0.00 H new ATOM 0 HE ARG A 7 8.051 0.042 12.654 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.200 -2.515 14.809 1.00 0.00 H new ATOM 0 HH12 ARG A 7 9.973 -1.384 15.924 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.046 1.482 14.092 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.886 0.868 15.520 1.00 0.00 H new ATOM 139 N VAL A 8 9.656 -1.244 9.626 1.00 0.00 N ATOM 140 CA VAL A 8 10.861 -0.430 9.751 1.00 0.00 C ATOM 141 C VAL A 8 11.533 -0.227 8.392 1.00 0.00 C ATOM 142 O VAL A 8 12.606 0.371 8.307 1.00 0.00 O ATOM 143 CB VAL A 8 11.881 -1.069 10.714 1.00 0.00 C ATOM 144 CG1 VAL A 8 12.914 -0.043 11.154 1.00 0.00 C ATOM 145 CG2 VAL A 8 11.180 -1.679 11.919 1.00 0.00 C ATOM 0 H VAL A 8 9.800 -2.240 9.792 1.00 0.00 H new ATOM 0 HA VAL A 8 10.545 0.533 10.152 1.00 0.00 H new ATOM 0 HB VAL A 8 12.396 -1.869 10.183 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.626 -0.512 11.833 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.443 0.338 10.281 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.414 0.781 11.664 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.920 -2.124 12.584 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.632 -0.902 12.453 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.484 -2.448 11.584 1.00 0.00 H new ATOM 155 N GLY A 9 10.903 -0.733 7.333 1.00 0.00 N ATOM 156 CA GLY A 9 11.464 -0.600 6.001 1.00 0.00 C ATOM 157 C GLY A 9 11.114 0.721 5.342 1.00 0.00 C ATOM 158 O GLY A 9 11.126 1.768 5.989 1.00 0.00 O ATOM 0 H GLY A 9 10.015 -1.232 7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.548 -0.696 6.058 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.104 -1.418 5.377 1.00 0.00 H new ATOM 162 N GLU A 10 10.809 0.669 4.049 1.00 0.00 N ATOM 163 CA GLU A 10 10.462 1.868 3.294 1.00 0.00 C ATOM 164 C GLU A 10 8.976 1.892 2.948 1.00 0.00 C ATOM 165 O GLU A 10 8.215 1.021 3.370 1.00 0.00 O ATOM 166 CB GLU A 10 11.297 1.944 2.013 1.00 0.00 C ATOM 167 CG GLU A 10 12.644 2.622 2.204 1.00 0.00 C ATOM 168 CD GLU A 10 13.526 1.896 3.201 1.00 0.00 C ATOM 169 OE1 GLU A 10 13.614 0.652 3.119 1.00 0.00 O ATOM 170 OE2 GLU A 10 14.128 2.570 4.062 1.00 0.00 O ATOM 0 H GLU A 10 10.795 -0.192 3.502 1.00 0.00 H new ATOM 0 HA GLU A 10 10.680 2.734 3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.458 0.935 1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.732 2.484 1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.157 2.679 1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.486 3.646 2.542 1.00 0.00 H new ATOM 177 N THR A 11 8.570 2.898 2.179 1.00 0.00 N ATOM 178 CA THR A 11 7.176 3.046 1.774 1.00 0.00 C ATOM 179 C THR A 11 6.972 2.583 0.335 1.00 0.00 C ATOM 180 O THR A 11 7.933 2.412 -0.414 1.00 0.00 O ATOM 181 CB THR A 11 6.742 4.505 1.916 1.00 0.00 C ATOM 182 OG1 THR A 11 7.334 5.303 0.906 1.00 0.00 O ATOM 183 CG2 THR A 11 7.109 5.112 3.252 1.00 0.00 C ATOM 0 H THR A 11 9.190 3.626 1.823 1.00 0.00 H new ATOM 0 HA THR A 11 6.565 2.421 2.425 1.00 0.00 H new ATOM 0 HB THR A 11 5.656 4.493 1.827 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.044 6.233 1.012 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.772 6.148 3.286 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.629 4.548 4.052 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.191 5.078 3.382 1.00 0.00 H new ATOM 191 N LEU A 12 5.712 2.389 -0.047 1.00 0.00 N ATOM 192 CA LEU A 12 5.383 1.954 -1.402 1.00 0.00 C ATOM 193 C LEU A 12 4.697 3.078 -2.173 1.00 0.00 C ATOM 194 O LEU A 12 4.082 3.961 -1.574 1.00 0.00 O ATOM 195 CB LEU A 12 4.499 0.697 -1.366 1.00 0.00 C ATOM 196 CG LEU A 12 2.986 0.939 -1.283 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.236 -0.073 -2.134 1.00 0.00 C ATOM 198 CD2 LEU A 12 2.514 0.874 0.160 1.00 0.00 C ATOM 0 H LEU A 12 4.904 2.526 0.561 1.00 0.00 H new ATOM 0 HA LEU A 12 6.309 1.703 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.704 0.108 -2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.797 0.092 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 12 2.776 1.936 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.165 0.114 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.552 0.020 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.453 -1.080 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.439 1.048 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.738 -0.110 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.027 1.637 0.745 1.00 0.00 H new ATOM 210 N MET A 13 4.802 3.049 -3.499 1.00 0.00 N ATOM 211 CA MET A 13 4.183 4.077 -4.322 1.00 0.00 C ATOM 212 C MET A 13 3.369 3.466 -5.455 1.00 0.00 C ATOM 213 O MET A 13 3.913 3.066 -6.484 1.00 0.00 O ATOM 214 CB MET A 13 5.252 5.009 -4.895 1.00 0.00 C ATOM 215 CG MET A 13 4.683 6.252 -5.560 1.00 0.00 C ATOM 216 SD MET A 13 5.865 7.054 -6.660 1.00 0.00 S ATOM 217 CE MET A 13 4.953 7.045 -8.202 1.00 0.00 C ATOM 0 H MET A 13 5.305 2.331 -4.020 1.00 0.00 H new ATOM 0 HA MET A 13 3.506 4.649 -3.687 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.925 5.312 -4.093 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.849 4.459 -5.622 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.792 5.981 -6.126 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.370 6.959 -4.792 1.00 0.00 H new ATOM 0 HE1 MET A 13 5.524 7.572 -8.966 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.786 6.016 -8.520 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.993 7.541 -8.060 1.00 0.00 H new ATOM 227 N ILE A 14 2.058 3.408 -5.257 1.00 0.00 N ATOM 228 CA ILE A 14 1.154 2.861 -6.254 1.00 0.00 C ATOM 229 C ILE A 14 0.205 3.943 -6.767 1.00 0.00 C ATOM 230 O ILE A 14 -0.482 4.599 -5.985 1.00 0.00 O ATOM 231 CB ILE A 14 0.337 1.685 -5.679 1.00 0.00 C ATOM 232 CG1 ILE A 14 -0.634 1.137 -6.727 1.00 0.00 C ATOM 233 CG2 ILE A 14 -0.412 2.120 -4.427 1.00 0.00 C ATOM 234 CD1 ILE A 14 0.047 0.695 -8.002 1.00 0.00 C ATOM 0 H ILE A 14 1.597 3.736 -4.408 1.00 0.00 H new ATOM 0 HA ILE A 14 1.759 2.492 -7.082 1.00 0.00 H new ATOM 0 HB ILE A 14 1.028 0.887 -5.407 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.177 0.293 -6.302 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.372 1.904 -6.964 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.983 1.279 -4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.301 2.457 -3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.091 2.936 -4.674 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.699 0.318 -8.701 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.567 1.542 -8.449 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.765 -0.094 -7.777 1.00 0.00 H new ATOM 246 N GLY A 15 0.171 4.127 -8.083 1.00 0.00 N ATOM 247 CA GLY A 15 -0.695 5.135 -8.671 1.00 0.00 C ATOM 248 C GLY A 15 0.029 5.975 -9.707 1.00 0.00 C ATOM 249 O GLY A 15 0.305 5.507 -10.812 1.00 0.00 O ATOM 0 H GLY A 15 0.727 3.597 -8.753 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.554 4.649 -9.134 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.082 5.784 -7.885 1.00 0.00 H new ATOM 253 N ASP A 16 0.339 7.217 -9.350 1.00 0.00 N ATOM 254 CA ASP A 16 1.040 8.121 -10.260 1.00 0.00 C ATOM 255 C ASP A 16 1.804 9.214 -9.506 1.00 0.00 C ATOM 256 O ASP A 16 2.380 10.109 -10.125 1.00 0.00 O ATOM 257 CB ASP A 16 0.047 8.759 -11.233 1.00 0.00 C ATOM 258 CG ASP A 16 0.572 8.791 -12.655 1.00 0.00 C ATOM 259 OD1 ASP A 16 1.808 8.752 -12.833 1.00 0.00 O ATOM 260 OD2 ASP A 16 -0.253 8.855 -13.591 1.00 0.00 O ATOM 0 H ASP A 16 0.117 7.621 -8.440 1.00 0.00 H new ATOM 0 HA ASP A 16 1.769 7.529 -10.814 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.891 8.204 -11.207 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.175 9.775 -10.907 1.00 0.00 H new ATOM 265 N GLU A 17 1.809 9.138 -8.172 1.00 0.00 N ATOM 266 CA GLU A 17 2.502 10.119 -7.333 1.00 0.00 C ATOM 267 C GLU A 17 2.002 10.021 -5.894 1.00 0.00 C ATOM 268 O GLU A 17 1.439 10.972 -5.352 1.00 0.00 O ATOM 269 CB GLU A 17 2.291 11.544 -7.866 1.00 0.00 C ATOM 270 CG GLU A 17 3.545 12.161 -8.465 1.00 0.00 C ATOM 271 CD GLU A 17 3.361 13.623 -8.826 1.00 0.00 C ATOM 272 OE1 GLU A 17 2.244 14.148 -8.634 1.00 0.00 O ATOM 273 OE2 GLU A 17 4.336 14.244 -9.300 1.00 0.00 O ATOM 0 H GLU A 17 1.337 8.402 -7.647 1.00 0.00 H new ATOM 0 HA GLU A 17 3.569 9.898 -7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.507 11.528 -8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.936 12.178 -7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.367 12.067 -7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.829 11.603 -9.357 1.00 0.00 H new ATOM 280 N VAL A 18 2.194 8.856 -5.284 1.00 0.00 N ATOM 281 CA VAL A 18 1.748 8.626 -3.925 1.00 0.00 C ATOM 282 C VAL A 18 2.924 8.382 -2.973 1.00 0.00 C ATOM 283 O VAL A 18 4.063 8.744 -3.268 1.00 0.00 O ATOM 284 CB VAL A 18 0.783 7.426 -3.880 1.00 0.00 C ATOM 285 CG1 VAL A 18 -0.298 7.568 -4.942 1.00 0.00 C ATOM 286 CG2 VAL A 18 1.535 6.111 -4.047 1.00 0.00 C ATOM 0 H VAL A 18 2.658 8.057 -5.716 1.00 0.00 H new ATOM 0 HA VAL A 18 1.230 9.526 -3.593 1.00 0.00 H new ATOM 0 HB VAL A 18 0.304 7.415 -2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.970 6.711 -4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.864 8.483 -4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.164 7.612 -5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.829 5.281 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.052 6.107 -5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.263 6.003 -3.243 1.00 0.00 H new ATOM 296 N THR A 19 2.628 7.765 -1.831 1.00 0.00 N ATOM 297 CA THR A 19 3.628 7.457 -0.815 1.00 0.00 C ATOM 298 C THR A 19 2.929 6.948 0.441 1.00 0.00 C ATOM 299 O THR A 19 2.403 7.733 1.227 1.00 0.00 O ATOM 300 CB THR A 19 4.469 8.694 -0.484 1.00 0.00 C ATOM 301 OG1 THR A 19 3.790 9.879 -0.860 1.00 0.00 O ATOM 302 CG2 THR A 19 5.819 8.700 -1.169 1.00 0.00 C ATOM 0 H THR A 19 1.685 7.464 -1.585 1.00 0.00 H new ATOM 0 HA THR A 19 4.297 6.687 -1.201 1.00 0.00 H new ATOM 0 HB THR A 19 4.627 8.656 0.594 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.343 10.657 -0.639 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.363 9.603 -0.892 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.388 7.824 -0.859 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.679 8.678 -2.250 1.00 0.00 H new ATOM 310 N VAL A 20 2.909 5.633 0.619 1.00 0.00 N ATOM 311 CA VAL A 20 2.252 5.035 1.774 1.00 0.00 C ATOM 312 C VAL A 20 3.264 4.516 2.792 1.00 0.00 C ATOM 313 O VAL A 20 3.926 3.500 2.564 1.00 0.00 O ATOM 314 CB VAL A 20 1.327 3.878 1.350 1.00 0.00 C ATOM 315 CG1 VAL A 20 0.566 3.325 2.546 1.00 0.00 C ATOM 316 CG2 VAL A 20 0.366 4.333 0.262 1.00 0.00 C ATOM 0 H VAL A 20 3.338 4.963 -0.019 1.00 0.00 H new ATOM 0 HA VAL A 20 1.658 5.822 2.238 1.00 0.00 H new ATOM 0 HB VAL A 20 1.947 3.077 0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.080 2.510 2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.274 2.954 3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.041 4.115 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.279 3.502 -0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.245 5.154 0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.932 4.669 -0.607 1.00 0.00 H new ATOM 326 N THR A 21 3.375 5.222 3.914 1.00 0.00 N ATOM 327 CA THR A 21 4.299 4.844 4.978 1.00 0.00 C ATOM 328 C THR A 21 3.619 3.930 5.995 1.00 0.00 C ATOM 329 O THR A 21 2.708 4.349 6.711 1.00 0.00 O ATOM 330 CB THR A 21 4.837 6.092 5.681 1.00 0.00 C ATOM 331 OG1 THR A 21 5.063 7.135 4.749 1.00 0.00 O ATOM 332 CG2 THR A 21 6.133 5.850 6.423 1.00 0.00 C ATOM 0 H THR A 21 2.833 6.064 4.110 1.00 0.00 H new ATOM 0 HA THR A 21 5.129 4.301 4.526 1.00 0.00 H new ATOM 0 HB THR A 21 4.070 6.368 6.404 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.405 7.924 5.218 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.458 6.775 6.898 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.979 5.086 7.185 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.897 5.514 5.721 1.00 0.00 H new ATOM 340 N VAL A 22 4.061 2.679 6.045 1.00 0.00 N ATOM 341 CA VAL A 22 3.492 1.701 6.966 1.00 0.00 C ATOM 342 C VAL A 22 3.994 1.917 8.392 1.00 0.00 C ATOM 343 O VAL A 22 4.773 1.119 8.915 1.00 0.00 O ATOM 344 CB VAL A 22 3.823 0.261 6.530 1.00 0.00 C ATOM 345 CG1 VAL A 22 3.138 -0.072 5.214 1.00 0.00 C ATOM 346 CG2 VAL A 22 5.329 0.069 6.421 1.00 0.00 C ATOM 0 H VAL A 22 4.813 2.317 5.458 1.00 0.00 H new ATOM 0 HA VAL A 22 2.412 1.843 6.943 1.00 0.00 H new ATOM 0 HB VAL A 22 3.447 -0.424 7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.385 -1.093 4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.058 0.021 5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.479 0.617 4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.544 -0.954 6.112 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.732 0.763 5.683 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.791 0.260 7.389 1.00 0.00 H new ATOM 356 N LEU A 23 3.542 3.000 9.017 1.00 0.00 N ATOM 357 CA LEU A 23 3.944 3.317 10.383 1.00 0.00 C ATOM 358 C LEU A 23 2.904 2.810 11.386 1.00 0.00 C ATOM 359 O LEU A 23 2.199 1.838 11.115 1.00 0.00 O ATOM 360 CB LEU A 23 4.153 4.828 10.537 1.00 0.00 C ATOM 361 CG LEU A 23 5.465 5.248 11.214 1.00 0.00 C ATOM 362 CD1 LEU A 23 5.746 4.412 12.461 1.00 0.00 C ATOM 363 CD2 LEU A 23 6.622 5.146 10.232 1.00 0.00 C ATOM 0 H LEU A 23 2.898 3.672 8.600 1.00 0.00 H new ATOM 0 HA LEU A 23 4.888 2.813 10.592 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.112 5.285 9.548 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.321 5.236 11.112 1.00 0.00 H new ATOM 0 HG LEU A 23 5.360 6.286 11.530 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.683 4.737 12.914 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.933 4.541 13.176 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.823 3.360 12.184 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.546 5.447 10.726 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.715 4.117 9.885 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.436 5.801 9.381 1.00 0.00 H new ATOM 375 N GLY A 24 2.813 3.463 12.546 1.00 0.00 N ATOM 376 CA GLY A 24 1.861 3.046 13.555 1.00 0.00 C ATOM 377 C GLY A 24 2.111 1.629 14.018 1.00 0.00 C ATOM 378 O GLY A 24 1.299 0.736 13.774 1.00 0.00 O ATOM 0 H GLY A 24 3.382 4.271 12.800 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.918 3.722 14.408 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.850 3.123 13.154 1.00 0.00 H new ATOM 382 N VAL A 25 3.241 1.418 14.680 1.00 0.00 N ATOM 383 CA VAL A 25 3.597 0.099 15.164 1.00 0.00 C ATOM 384 C VAL A 25 2.978 -0.168 16.532 1.00 0.00 C ATOM 385 O VAL A 25 3.394 0.405 17.538 1.00 0.00 O ATOM 386 CB VAL A 25 5.128 -0.066 15.260 1.00 0.00 C ATOM 387 CG1 VAL A 25 5.497 -1.533 15.417 1.00 0.00 C ATOM 388 CG2 VAL A 25 5.818 0.537 14.040 1.00 0.00 C ATOM 0 H VAL A 25 3.924 2.146 14.892 1.00 0.00 H new ATOM 0 HA VAL A 25 3.206 -0.622 14.446 1.00 0.00 H new ATOM 0 HB VAL A 25 5.474 0.472 16.143 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.581 -1.631 15.483 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.041 -1.928 16.325 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.134 -2.094 14.556 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.897 0.408 14.131 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.467 0.035 13.138 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.584 1.600 13.978 1.00 0.00 H new ATOM 398 N LYS A 26 1.971 -1.035 16.554 1.00 0.00 N ATOM 399 CA LYS A 26 1.279 -1.372 17.793 1.00 0.00 C ATOM 400 C LYS A 26 0.634 -2.751 17.705 1.00 0.00 C ATOM 401 O LYS A 26 0.495 -3.317 16.621 1.00 0.00 O ATOM 402 CB LYS A 26 0.217 -0.318 18.111 1.00 0.00 C ATOM 403 CG LYS A 26 0.165 0.069 19.580 1.00 0.00 C ATOM 404 CD LYS A 26 -1.228 0.521 19.990 1.00 0.00 C ATOM 405 CE LYS A 26 -1.333 2.037 20.030 1.00 0.00 C ATOM 406 NZ LYS A 26 -0.900 2.589 21.344 1.00 0.00 N ATOM 0 H LYS A 26 1.616 -1.517 15.728 1.00 0.00 H new ATOM 0 HA LYS A 26 2.017 -1.390 18.595 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.412 0.574 17.516 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.760 -0.696 17.808 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.467 -0.781 20.192 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.879 0.870 19.772 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.962 0.123 19.289 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.470 0.113 20.971 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.720 2.464 19.237 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.363 2.335 19.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.987 3.625 21.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.501 2.201 22.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.091 2.327 21.521 1.00 0.00 H new ATOM 420 N GLY A 27 0.241 -3.284 18.857 1.00 0.00 N ATOM 421 CA GLY A 27 -0.388 -4.591 18.894 1.00 0.00 C ATOM 422 C GLY A 27 -1.830 -4.555 18.425 1.00 0.00 C ATOM 423 O GLY A 27 -2.480 -3.510 18.472 1.00 0.00 O ATOM 0 H GLY A 27 0.347 -2.834 19.766 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.177 -5.281 18.267 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.350 -4.980 19.911 1.00 0.00 H new ATOM 427 N ASN A 28 -2.326 -5.700 17.967 1.00 0.00 N ATOM 428 CA ASN A 28 -3.698 -5.810 17.478 1.00 0.00 C ATOM 429 C ASN A 28 -3.869 -5.064 16.154 1.00 0.00 C ATOM 430 O ASN A 28 -3.691 -5.646 15.083 1.00 0.00 O ATOM 431 CB ASN A 28 -4.693 -5.290 18.524 1.00 0.00 C ATOM 432 CG ASN A 28 -5.394 -6.415 19.260 1.00 0.00 C ATOM 433 OD1 ASN A 28 -6.360 -6.992 18.760 1.00 0.00 O ATOM 434 ND2 ASN A 28 -4.910 -6.732 20.455 1.00 0.00 N ATOM 0 H ASN A 28 -1.796 -6.570 17.924 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.907 -6.865 17.302 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.166 -4.661 19.242 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.436 -4.661 18.034 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.341 -7.481 20.998 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.107 -6.227 20.830 1.00 0.00 H new ATOM 441 N GLN A 29 -4.216 -3.779 16.222 1.00 0.00 N ATOM 442 CA GLN A 29 -4.409 -2.979 15.016 1.00 0.00 C ATOM 443 C GLN A 29 -3.305 -1.935 14.867 1.00 0.00 C ATOM 444 O GLN A 29 -3.064 -1.136 15.772 1.00 0.00 O ATOM 445 CB GLN A 29 -5.775 -2.293 15.048 1.00 0.00 C ATOM 446 CG GLN A 29 -6.939 -3.261 15.184 1.00 0.00 C ATOM 447 CD GLN A 29 -8.125 -2.649 15.903 1.00 0.00 C ATOM 448 OE1 GLN A 29 -8.413 -2.989 17.051 1.00 0.00 O ATOM 449 NE2 GLN A 29 -8.821 -1.740 15.230 1.00 0.00 N ATOM 0 H GLN A 29 -4.368 -3.273 17.095 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.365 -3.649 14.157 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.799 -1.589 15.880 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.902 -1.711 14.135 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.250 -3.591 14.193 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.608 -4.147 15.725 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.547 -1.488 14.280 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.630 -1.294 15.663 1.00 0.00 H new ATOM 458 N VAL A 30 -2.630 -1.961 13.723 1.00 0.00 N ATOM 459 CA VAL A 30 -1.537 -1.032 13.451 1.00 0.00 C ATOM 460 C VAL A 30 -2.032 0.204 12.710 1.00 0.00 C ATOM 461 O VAL A 30 -2.825 0.101 11.774 1.00 0.00 O ATOM 462 CB VAL A 30 -0.426 -1.700 12.620 1.00 0.00 C ATOM 463 CG1 VAL A 30 0.358 -2.689 13.470 1.00 0.00 C ATOM 464 CG2 VAL A 30 -1.013 -2.383 11.395 1.00 0.00 C ATOM 0 H VAL A 30 -2.821 -2.618 12.966 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.132 -0.734 14.418 1.00 0.00 H new ATOM 0 HB VAL A 30 0.263 -0.927 12.280 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.138 -3.150 12.865 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.813 -2.165 14.311 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.315 -3.461 13.844 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.213 -2.849 10.820 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.726 -3.145 11.710 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.522 -1.645 10.776 1.00 0.00 H new ATOM 474 N ARG A 31 -1.545 1.375 13.119 1.00 0.00 N ATOM 475 CA ARG A 31 -1.924 2.618 12.478 1.00 0.00 C ATOM 476 C ARG A 31 -1.162 2.779 11.170 1.00 0.00 C ATOM 477 O ARG A 31 0.023 3.110 11.167 1.00 0.00 O ATOM 478 CB ARG A 31 -1.659 3.816 13.397 1.00 0.00 C ATOM 479 CG ARG A 31 -1.834 3.510 14.876 1.00 0.00 C ATOM 480 CD ARG A 31 -2.343 4.723 15.639 1.00 0.00 C ATOM 481 NE ARG A 31 -3.791 4.680 15.831 1.00 0.00 N ATOM 482 CZ ARG A 31 -4.534 5.749 16.113 1.00 0.00 C ATOM 483 NH1 ARG A 31 -3.970 6.944 16.238 1.00 0.00 N ATOM 484 NH2 ARG A 31 -5.844 5.621 16.271 1.00 0.00 N ATOM 0 H ARG A 31 -0.888 1.481 13.892 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.993 2.584 12.269 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.643 4.173 13.228 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.332 4.628 13.122 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.533 2.683 14.997 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.882 3.187 15.297 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.850 4.774 16.610 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.076 5.630 15.098 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.260 3.779 15.744 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.962 7.047 16.118 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.544 7.759 16.454 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.282 4.705 16.177 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.414 6.439 16.487 1.00 0.00 H new ATOM 498 N ILE A 32 -1.839 2.524 10.060 1.00 0.00 N ATOM 499 CA ILE A 32 -1.209 2.622 8.752 1.00 0.00 C ATOM 500 C ILE A 32 -1.295 4.041 8.206 1.00 0.00 C ATOM 501 O ILE A 32 -2.346 4.680 8.268 1.00 0.00 O ATOM 502 CB ILE A 32 -1.855 1.641 7.754 1.00 0.00 C ATOM 503 CG1 ILE A 32 -2.036 0.267 8.410 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.008 1.530 6.495 1.00 0.00 C ATOM 505 CD1 ILE A 32 -0.730 -0.423 8.738 1.00 0.00 C ATOM 0 H ILE A 32 -2.821 2.249 10.039 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.159 2.358 8.876 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.836 2.021 7.470 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.616 0.384 9.326 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.617 -0.371 7.744 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.478 0.834 5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.924 2.510 6.025 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.014 1.167 6.756 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.935 -1.389 9.199 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.157 -0.572 7.823 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.156 0.194 9.429 1.00 0.00 H new ATOM 517 N GLY A 33 -0.177 4.532 7.677 1.00 0.00 N ATOM 518 CA GLY A 33 -0.141 5.875 7.132 1.00 0.00 C ATOM 519 C GLY A 33 -0.126 5.886 5.622 1.00 0.00 C ATOM 520 O GLY A 33 0.822 5.408 5.001 1.00 0.00 O ATOM 0 H GLY A 33 0.704 4.022 7.617 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.008 6.431 7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.744 6.391 7.505 1.00 0.00 H new ATOM 524 N VAL A 34 -1.179 6.432 5.027 1.00 0.00 N ATOM 525 CA VAL A 34 -1.276 6.499 3.578 1.00 0.00 C ATOM 526 C VAL A 34 -1.164 7.934 3.081 1.00 0.00 C ATOM 527 O VAL A 34 -2.115 8.712 3.172 1.00 0.00 O ATOM 528 CB VAL A 34 -2.602 5.896 3.076 1.00 0.00 C ATOM 529 CG1 VAL A 34 -2.599 5.790 1.558 1.00 0.00 C ATOM 530 CG2 VAL A 34 -2.845 4.536 3.713 1.00 0.00 C ATOM 0 H VAL A 34 -1.974 6.833 5.525 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.445 5.916 3.181 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.416 6.559 3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.543 5.362 1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.475 6.782 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.776 5.150 1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.786 4.126 3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.029 3.861 3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.894 4.645 4.796 1.00 0.00 H new ATOM 540 N ASN A 35 0.004 8.275 2.549 1.00 0.00 N ATOM 541 CA ASN A 35 0.240 9.613 2.026 1.00 0.00 C ATOM 542 C ASN A 35 0.014 9.633 0.520 1.00 0.00 C ATOM 543 O ASN A 35 0.813 9.100 -0.246 1.00 0.00 O ATOM 544 CB ASN A 35 1.661 10.078 2.354 1.00 0.00 C ATOM 545 CG ASN A 35 1.718 11.546 2.728 1.00 0.00 C ATOM 546 OD1 ASN A 35 0.832 12.324 2.375 1.00 0.00 O ATOM 547 ND2 ASN A 35 2.767 11.933 3.446 1.00 0.00 N ATOM 0 H ASN A 35 0.801 7.643 2.469 1.00 0.00 H new ATOM 0 HA ASN A 35 -0.463 10.298 2.499 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.055 9.481 3.177 1.00 0.00 H new ATOM 0 HB3 ASN A 35 2.306 9.900 1.494 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.861 12.909 3.726 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.478 11.254 3.717 1.00 0.00 H new ATOM 554 N ALA A 36 -1.087 10.243 0.108 1.00 0.00 N ATOM 555 CA ALA A 36 -1.428 10.322 -1.307 1.00 0.00 C ATOM 556 C ALA A 36 -2.139 11.628 -1.649 1.00 0.00 C ATOM 557 O ALA A 36 -2.876 12.179 -0.832 1.00 0.00 O ATOM 558 CB ALA A 36 -2.290 9.134 -1.705 1.00 0.00 C ATOM 0 H ALA A 36 -1.759 10.690 0.731 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.496 10.298 -1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.539 9.203 -2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.743 8.209 -1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.207 9.136 -1.116 1.00 0.00 H new ATOM 564 N PRO A 37 -1.928 12.134 -2.877 1.00 0.00 N ATOM 565 CA PRO A 37 -2.550 13.373 -3.344 1.00 0.00 C ATOM 566 C PRO A 37 -3.994 13.157 -3.781 1.00 0.00 C ATOM 567 O PRO A 37 -4.385 12.045 -4.136 1.00 0.00 O ATOM 568 CB PRO A 37 -1.684 13.761 -4.538 1.00 0.00 C ATOM 569 CG PRO A 37 -1.218 12.459 -5.093 1.00 0.00 C ATOM 570 CD PRO A 37 -1.065 11.531 -3.915 1.00 0.00 C ATOM 0 HA PRO A 37 -2.597 14.135 -2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.253 14.327 -5.275 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.845 14.387 -4.234 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.936 12.062 -5.811 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.272 12.577 -5.621 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.383 10.518 -4.160 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.028 11.469 -3.586 1.00 0.00 H new ATOM 578 N LYS A 38 -4.785 14.224 -3.754 1.00 0.00 N ATOM 579 CA LYS A 38 -6.186 14.143 -4.149 1.00 0.00 C ATOM 580 C LYS A 38 -6.357 14.448 -5.636 1.00 0.00 C ATOM 581 O LYS A 38 -7.288 15.151 -6.030 1.00 0.00 O ATOM 582 CB LYS A 38 -7.028 15.113 -3.318 1.00 0.00 C ATOM 583 CG LYS A 38 -6.703 15.083 -1.833 1.00 0.00 C ATOM 584 CD LYS A 38 -7.954 15.251 -0.985 1.00 0.00 C ATOM 585 CE LYS A 38 -7.701 16.162 0.206 1.00 0.00 C ATOM 586 NZ LYS A 38 -6.734 15.563 1.167 1.00 0.00 N ATOM 0 H LYS A 38 -4.481 15.153 -3.463 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.528 13.124 -3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.878 16.125 -3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.083 14.875 -3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.218 14.139 -1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.994 15.877 -1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.757 15.664 -1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.290 14.276 -0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.318 17.120 -0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.643 16.363 0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.588 16.215 1.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.111 14.661 1.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.827 15.395 0.687 1.00 0.00 H new ATOM 600 N GLU A 39 -5.457 13.916 -6.459 1.00 0.00 N ATOM 601 CA GLU A 39 -5.516 14.136 -7.900 1.00 0.00 C ATOM 602 C GLU A 39 -5.757 12.825 -8.644 1.00 0.00 C ATOM 603 O GLU A 39 -6.542 12.774 -9.590 1.00 0.00 O ATOM 604 CB GLU A 39 -4.219 14.787 -8.390 1.00 0.00 C ATOM 605 CG GLU A 39 -4.377 16.253 -8.759 1.00 0.00 C ATOM 606 CD GLU A 39 -4.398 16.477 -10.258 1.00 0.00 C ATOM 607 OE1 GLU A 39 -3.418 16.093 -10.930 1.00 0.00 O ATOM 608 OE2 GLU A 39 -5.395 17.038 -10.761 1.00 0.00 O ATOM 0 H GLU A 39 -4.680 13.331 -6.153 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.351 14.805 -8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.460 14.696 -7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.853 14.240 -9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.301 16.636 -8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.559 16.824 -8.321 1.00 0.00 H new ATOM 615 N VAL A 40 -5.079 11.766 -8.209 1.00 0.00 N ATOM 616 CA VAL A 40 -5.227 10.457 -8.836 1.00 0.00 C ATOM 617 C VAL A 40 -6.471 9.744 -8.317 1.00 0.00 C ATOM 618 O VAL A 40 -6.980 10.069 -7.244 1.00 0.00 O ATOM 619 CB VAL A 40 -3.991 9.565 -8.592 1.00 0.00 C ATOM 620 CG1 VAL A 40 -4.006 8.367 -9.528 1.00 0.00 C ATOM 621 CG2 VAL A 40 -2.708 10.365 -8.763 1.00 0.00 C ATOM 0 H VAL A 40 -4.424 11.789 -7.427 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.327 10.628 -9.908 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.029 9.199 -7.566 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.128 7.749 -9.342 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.907 7.779 -9.352 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.994 8.713 -10.562 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.849 9.717 -8.587 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.660 10.763 -9.776 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.695 11.188 -8.049 1.00 0.00 H new ATOM 631 N SER A 41 -6.961 8.776 -9.084 1.00 0.00 N ATOM 632 CA SER A 41 -8.151 8.025 -8.695 1.00 0.00 C ATOM 633 C SER A 41 -7.909 7.262 -7.398 1.00 0.00 C ATOM 634 O SER A 41 -7.304 6.190 -7.400 1.00 0.00 O ATOM 635 CB SER A 41 -8.560 7.053 -9.804 1.00 0.00 C ATOM 636 OG SER A 41 -9.970 6.945 -9.892 1.00 0.00 O ATOM 0 H SER A 41 -6.555 8.493 -9.976 1.00 0.00 H new ATOM 0 HA SER A 41 -8.961 8.737 -8.534 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.158 7.394 -10.758 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.128 6.071 -9.609 1.00 0.00 H new ATOM 0 HG SER A 41 -10.206 6.320 -10.609 1.00 0.00 H new ATOM 642 N VAL A 42 -8.386 7.822 -6.290 1.00 0.00 N ATOM 643 CA VAL A 42 -8.223 7.194 -4.985 1.00 0.00 C ATOM 644 C VAL A 42 -9.578 6.948 -4.323 1.00 0.00 C ATOM 645 O VAL A 42 -10.364 7.877 -4.140 1.00 0.00 O ATOM 646 CB VAL A 42 -7.356 8.063 -4.052 1.00 0.00 C ATOM 647 CG1 VAL A 42 -8.014 9.413 -3.809 1.00 0.00 C ATOM 648 CG2 VAL A 42 -7.095 7.344 -2.737 1.00 0.00 C ATOM 0 H VAL A 42 -8.888 8.710 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.723 6.239 -5.149 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.397 8.236 -4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.386 10.010 -3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.139 9.933 -4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.989 9.264 -3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.482 7.974 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.043 7.134 -2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.573 6.407 -2.932 1.00 0.00 H new ATOM 658 N HIS A 43 -9.843 5.697 -3.956 1.00 0.00 N ATOM 659 CA HIS A 43 -11.098 5.340 -3.306 1.00 0.00 C ATOM 660 C HIS A 43 -10.827 4.556 -2.026 1.00 0.00 C ATOM 661 O HIS A 43 -9.982 3.662 -2.008 1.00 0.00 O ATOM 662 CB HIS A 43 -11.974 4.516 -4.250 1.00 0.00 C ATOM 663 CG HIS A 43 -13.431 4.568 -3.912 1.00 0.00 C ATOM 664 ND1 HIS A 43 -14.411 4.852 -4.839 1.00 0.00 N ATOM 665 CD2 HIS A 43 -14.076 4.371 -2.737 1.00 0.00 C ATOM 666 CE1 HIS A 43 -15.594 4.829 -4.253 1.00 0.00 C ATOM 667 NE2 HIS A 43 -15.419 4.539 -2.977 1.00 0.00 N ATOM 0 H HIS A 43 -9.205 4.914 -4.098 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.627 6.258 -3.051 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.833 4.875 -5.270 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.641 3.478 -4.228 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -13.620 4.127 -1.789 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -16.542 5.015 -4.735 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -16.160 4.453 -2.282 1.00 0.00 H new ATOM 675 N ARG A 44 -11.542 4.890 -0.957 1.00 0.00 N ATOM 676 CA ARG A 44 -11.365 4.207 0.318 1.00 0.00 C ATOM 677 C ARG A 44 -12.504 4.547 1.275 1.00 0.00 C ATOM 678 O ARG A 44 -13.493 5.164 0.881 1.00 0.00 O ATOM 679 CB ARG A 44 -10.021 4.591 0.942 1.00 0.00 C ATOM 680 CG ARG A 44 -9.911 6.067 1.290 1.00 0.00 C ATOM 681 CD ARG A 44 -8.506 6.592 1.043 1.00 0.00 C ATOM 682 NE ARG A 44 -8.421 8.039 1.230 1.00 0.00 N ATOM 683 CZ ARG A 44 -8.886 8.928 0.356 1.00 0.00 C ATOM 684 NH1 ARG A 44 -9.473 8.524 -0.764 1.00 0.00 N ATOM 685 NH2 ARG A 44 -8.765 10.225 0.603 1.00 0.00 N ATOM 0 H ARG A 44 -12.247 5.627 -0.948 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.377 3.132 0.136 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -9.868 4.001 1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -9.221 4.329 0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.624 6.637 0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -10.178 6.217 2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.810 6.097 1.721 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.198 6.339 0.029 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.979 8.388 2.081 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.570 7.527 -0.958 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.828 9.210 -1.430 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.316 10.541 1.463 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.121 10.907 -0.067 1.00 0.00 H new ATOM 699 N GLU A 45 -12.360 4.141 2.534 1.00 0.00 N ATOM 700 CA GLU A 45 -13.380 4.404 3.544 1.00 0.00 C ATOM 701 C GLU A 45 -13.712 5.893 3.612 1.00 0.00 C ATOM 702 O GLU A 45 -12.829 6.728 3.814 1.00 0.00 O ATOM 703 CB GLU A 45 -12.910 3.911 4.913 1.00 0.00 C ATOM 704 CG GLU A 45 -13.289 2.468 5.203 1.00 0.00 C ATOM 705 CD GLU A 45 -14.780 2.220 5.075 1.00 0.00 C ATOM 706 OE1 GLU A 45 -15.556 2.893 5.785 1.00 0.00 O ATOM 707 OE2 GLU A 45 -15.170 1.354 4.265 1.00 0.00 O ATOM 0 H GLU A 45 -11.548 3.629 2.878 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.283 3.863 3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.826 4.013 4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.334 4.552 5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.755 1.811 4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.966 2.207 6.211 1.00 0.00 H new ATOM 714 N GLU A 46 -14.990 6.217 3.440 1.00 0.00 N ATOM 715 CA GLU A 46 -15.441 7.604 3.478 1.00 0.00 C ATOM 716 C GLU A 46 -15.075 8.265 4.804 1.00 0.00 C ATOM 717 O GLU A 46 -14.426 9.310 4.828 1.00 0.00 O ATOM 718 CB GLU A 46 -16.954 7.673 3.257 1.00 0.00 C ATOM 719 CG GLU A 46 -17.355 8.516 2.058 1.00 0.00 C ATOM 720 CD GLU A 46 -18.783 8.259 1.616 1.00 0.00 C ATOM 721 OE1 GLU A 46 -19.690 8.329 2.471 1.00 0.00 O ATOM 722 OE2 GLU A 46 -18.993 7.987 0.415 1.00 0.00 O ATOM 0 H GLU A 46 -15.732 5.537 3.273 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.937 8.146 2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -17.340 6.662 3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -17.425 8.081 4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -17.239 9.571 2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -16.679 8.307 1.229 1.00 0.00 H new ATOM 729 N ILE A 47 -15.495 7.649 5.905 1.00 0.00 N ATOM 730 CA ILE A 47 -15.210 8.181 7.232 1.00 0.00 C ATOM 731 C ILE A 47 -13.706 8.272 7.474 1.00 0.00 C ATOM 732 O ILE A 47 -13.215 9.248 8.042 1.00 0.00 O ATOM 733 CB ILE A 47 -15.851 7.313 8.334 1.00 0.00 C ATOM 734 CG1 ILE A 47 -15.614 7.935 9.712 1.00 0.00 C ATOM 735 CG2 ILE A 47 -15.298 5.895 8.284 1.00 0.00 C ATOM 736 CD1 ILE A 47 -16.182 9.330 9.851 1.00 0.00 C ATOM 0 H ILE A 47 -16.033 6.782 5.904 1.00 0.00 H new ATOM 0 HA ILE A 47 -15.641 9.181 7.275 1.00 0.00 H new ATOM 0 HB ILE A 47 -16.926 7.269 8.158 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -16.058 7.293 10.473 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -14.542 7.967 9.908 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -15.761 5.296 9.068 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -15.518 5.453 7.312 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -14.219 5.920 8.436 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.977 9.708 10.853 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -15.720 9.986 9.114 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -17.259 9.302 9.687 1.00 0.00 H new ATOM 748 N TYR A 48 -12.980 7.246 7.038 1.00 0.00 N ATOM 749 CA TYR A 48 -11.530 7.202 7.205 1.00 0.00 C ATOM 750 C TYR A 48 -10.885 8.519 6.784 1.00 0.00 C ATOM 751 O TYR A 48 -10.164 9.144 7.562 1.00 0.00 O ATOM 752 CB TYR A 48 -10.940 6.049 6.392 1.00 0.00 C ATOM 753 CG TYR A 48 -10.900 4.737 7.143 1.00 0.00 C ATOM 754 CD1 TYR A 48 -12.027 4.257 7.799 1.00 0.00 C ATOM 755 CD2 TYR A 48 -9.737 3.979 7.197 1.00 0.00 C ATOM 756 CE1 TYR A 48 -11.996 3.060 8.488 1.00 0.00 C ATOM 757 CE2 TYR A 48 -9.698 2.780 7.883 1.00 0.00 C ATOM 758 CZ TYR A 48 -10.830 2.325 8.526 1.00 0.00 C ATOM 759 OH TYR A 48 -10.795 1.131 9.211 1.00 0.00 O ATOM 0 H TYR A 48 -13.373 6.432 6.565 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.319 7.042 8.262 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.526 5.920 5.482 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.928 6.313 6.084 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -12.942 4.829 7.770 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.849 4.333 6.695 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.880 2.702 8.994 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.786 2.202 7.915 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.900 0.738 9.139 1.00 0.00 H new ATOM 769 N GLN A 49 -11.148 8.937 5.550 1.00 0.00 N ATOM 770 CA GLN A 49 -10.591 10.180 5.031 1.00 0.00 C ATOM 771 C GLN A 49 -11.384 11.388 5.526 1.00 0.00 C ATOM 772 O GLN A 49 -10.871 12.507 5.551 1.00 0.00 O ATOM 773 CB GLN A 49 -10.578 10.157 3.502 1.00 0.00 C ATOM 774 CG GLN A 49 -11.940 9.882 2.886 1.00 0.00 C ATOM 775 CD GLN A 49 -12.166 10.658 1.603 1.00 0.00 C ATOM 776 OE1 GLN A 49 -12.067 11.885 1.581 1.00 0.00 O ATOM 777 NE2 GLN A 49 -12.472 9.944 0.526 1.00 0.00 N ATOM 0 H GLN A 49 -11.743 8.433 4.892 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.568 10.268 5.397 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.210 11.115 3.136 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.875 9.395 3.164 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.034 8.815 2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.718 10.140 3.604 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.543 8.929 0.591 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.636 10.411 -0.366 1.00 0.00 H new ATOM 786 N ARG A 50 -12.633 11.156 5.924 1.00 0.00 N ATOM 787 CA ARG A 50 -13.489 12.227 6.420 1.00 0.00 C ATOM 788 C ARG A 50 -13.034 12.708 7.797 1.00 0.00 C ATOM 789 O ARG A 50 -13.468 13.757 8.270 1.00 0.00 O ATOM 790 CB ARG A 50 -14.943 11.757 6.489 1.00 0.00 C ATOM 791 CG ARG A 50 -15.938 12.884 6.711 1.00 0.00 C ATOM 792 CD ARG A 50 -16.217 13.642 5.424 1.00 0.00 C ATOM 793 NE ARG A 50 -17.438 13.178 4.769 1.00 0.00 N ATOM 794 CZ ARG A 50 -18.103 13.882 3.855 1.00 0.00 C ATOM 795 NH1 ARG A 50 -17.669 15.080 3.484 1.00 0.00 N ATOM 796 NH2 ARG A 50 -19.205 13.386 3.310 1.00 0.00 N ATOM 0 H ARG A 50 -13.073 10.236 5.912 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.414 13.062 5.724 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -15.193 11.240 5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -15.043 11.031 7.296 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -16.870 12.476 7.104 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.549 13.571 7.462 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.305 14.706 5.642 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.373 13.524 4.744 1.00 0.00 H new ATOM 0 HE ARG A 50 -17.802 12.261 5.027 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.821 15.467 3.899 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -18.183 15.614 2.783 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -19.543 12.466 3.591 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.715 13.925 2.610 1.00 0.00 H new ATOM 810 N ILE A 51 -12.156 11.936 8.433 1.00 0.00 N ATOM 811 CA ILE A 51 -11.640 12.285 9.751 1.00 0.00 C ATOM 812 C ILE A 51 -10.139 12.546 9.689 1.00 0.00 C ATOM 813 O ILE A 51 -9.623 13.430 10.372 1.00 0.00 O ATOM 814 CB ILE A 51 -11.923 11.172 10.781 1.00 0.00 C ATOM 815 CG1 ILE A 51 -11.473 11.607 12.178 1.00 0.00 C ATOM 816 CG2 ILE A 51 -11.231 9.879 10.372 1.00 0.00 C ATOM 817 CD1 ILE A 51 -12.493 11.319 13.258 1.00 0.00 C ATOM 0 H ILE A 51 -11.787 11.063 8.055 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.154 13.192 10.069 1.00 0.00 H new ATOM 0 HB ILE A 51 -12.998 10.992 10.808 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -10.541 11.099 12.425 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -11.260 12.676 12.166 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.441 9.105 11.110 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.600 9.561 9.397 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.155 10.044 10.316 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -12.107 11.653 14.221 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -13.419 11.849 13.034 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -12.688 10.247 13.298 1.00 0.00 H new ATOM 829 N GLN A 52 -9.447 11.777 8.854 1.00 0.00 N ATOM 830 CA GLN A 52 -8.008 11.930 8.687 1.00 0.00 C ATOM 831 C GLN A 52 -7.713 12.975 7.617 1.00 0.00 C ATOM 832 O GLN A 52 -7.052 13.979 7.880 1.00 0.00 O ATOM 833 CB GLN A 52 -7.369 10.590 8.310 1.00 0.00 C ATOM 834 CG GLN A 52 -6.328 10.112 9.308 1.00 0.00 C ATOM 835 CD GLN A 52 -6.916 9.841 10.679 1.00 0.00 C ATOM 836 OE1 GLN A 52 -8.027 9.326 10.800 1.00 0.00 O ATOM 837 NE2 GLN A 52 -6.170 10.189 11.722 1.00 0.00 N ATOM 0 H GLN A 52 -9.861 11.041 8.282 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.580 12.264 9.632 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.151 9.835 8.223 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.904 10.682 7.328 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.860 9.203 8.931 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.542 10.862 9.396 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.254 10.613 11.575 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.513 10.032 12.670 1.00 0.00 H new ATOM 846 N ALA A 53 -8.221 12.736 6.412 1.00 0.00 N ATOM 847 CA ALA A 53 -8.025 13.662 5.306 1.00 0.00 C ATOM 848 C ALA A 53 -8.643 15.015 5.635 1.00 0.00 C ATOM 849 O ALA A 53 -7.989 16.052 5.530 1.00 0.00 O ATOM 850 CB ALA A 53 -8.626 13.096 4.027 1.00 0.00 C ATOM 0 H ALA A 53 -8.771 11.909 6.178 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.955 13.799 5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.471 13.800 3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.143 12.149 3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.694 12.933 4.168 1.00 0.00 H new ATOM 856 N GLU A 54 -9.908 14.992 6.043 1.00 0.00 N ATOM 857 CA GLU A 54 -10.621 16.211 6.401 1.00 0.00 C ATOM 858 C GLU A 54 -10.926 16.235 7.895 1.00 0.00 C ATOM 859 O GLU A 54 -11.656 15.385 8.404 1.00 0.00 O ATOM 860 CB GLU A 54 -11.919 16.325 5.600 1.00 0.00 C ATOM 861 CG GLU A 54 -12.583 17.688 5.709 1.00 0.00 C ATOM 862 CD GLU A 54 -13.404 18.036 4.483 1.00 0.00 C ATOM 863 OE1 GLU A 54 -12.901 17.842 3.356 1.00 0.00 O ATOM 864 OE2 GLU A 54 -14.551 18.503 4.649 1.00 0.00 O ATOM 0 H GLU A 54 -10.461 14.140 6.134 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.983 17.062 6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.709 16.115 4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.617 15.562 5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.226 17.706 6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.818 18.450 5.858 1.00 0.00 H new ATOM 871 N LYS A 55 -10.355 17.210 8.594 1.00 0.00 N ATOM 872 CA LYS A 55 -10.549 17.354 10.030 1.00 0.00 C ATOM 873 C LYS A 55 -12.019 17.203 10.418 1.00 0.00 C ATOM 874 O LYS A 55 -12.864 17.998 10.010 1.00 0.00 O ATOM 875 CB LYS A 55 -10.023 18.713 10.499 1.00 0.00 C ATOM 876 CG LYS A 55 -8.630 18.650 11.103 1.00 0.00 C ATOM 877 CD LYS A 55 -7.560 18.946 10.065 1.00 0.00 C ATOM 878 CE LYS A 55 -7.498 20.429 9.736 1.00 0.00 C ATOM 879 NZ LYS A 55 -7.049 21.238 10.902 1.00 0.00 N ATOM 0 H LYS A 55 -9.748 17.919 8.183 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.989 16.558 10.521 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.013 19.401 9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.712 19.125 11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.554 19.367 11.921 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.461 17.661 11.529 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.590 18.614 10.436 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.766 18.379 9.157 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.816 20.587 8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.482 20.771 9.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.697 22.159 10.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.849 21.386 11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.287 20.735 11.401 1.00 0.00 H new ATOM 983 N MET B 1 -1.279 12.459 3.857 1.00 0.00 N ATOM 984 CA MET B 1 -0.835 11.881 5.153 1.00 0.00 C ATOM 985 C MET B 1 -2.026 11.555 6.047 1.00 0.00 C ATOM 986 O MET B 1 -2.465 12.388 6.841 1.00 0.00 O ATOM 987 CB MET B 1 0.087 12.886 5.845 1.00 0.00 C ATOM 988 CG MET B 1 0.977 12.263 6.908 1.00 0.00 C ATOM 989 SD MET B 1 2.622 13.001 6.956 1.00 0.00 S ATOM 990 CE MET B 1 2.210 14.744 6.958 1.00 0.00 C ATOM 0 H1 MET B 1 -0.448 12.671 3.269 1.00 0.00 H new ATOM 0 H2 MET B 1 -1.888 11.776 3.363 1.00 0.00 H new ATOM 0 H3 MET B 1 -1.812 13.335 4.032 1.00 0.00 H new ATOM 0 HA MET B 1 -0.301 10.949 4.966 1.00 0.00 H new ATOM 0 HB2 MET B 1 0.714 13.368 5.095 1.00 0.00 H new ATOM 0 HB3 MET B 1 -0.519 13.667 6.303 1.00 0.00 H new ATOM 0 HG2 MET B 1 0.504 12.375 7.884 1.00 0.00 H new ATOM 0 HG3 MET B 1 1.068 11.193 6.719 1.00 0.00 H new ATOM 0 HE1 MET B 1 3.029 15.311 7.401 1.00 0.00 H new ATOM 0 HE2 MET B 1 2.048 15.081 5.934 1.00 0.00 H new ATOM 0 HE3 MET B 1 1.302 14.903 7.540 1.00 0.00 H new ATOM 1002 N LEU B 2 -2.542 10.338 5.916 1.00 0.00 N ATOM 1003 CA LEU B 2 -3.681 9.900 6.716 1.00 0.00 C ATOM 1004 C LEU B 2 -3.335 8.647 7.515 1.00 0.00 C ATOM 1005 O LEU B 2 -3.056 7.595 6.939 1.00 0.00 O ATOM 1006 CB LEU B 2 -4.887 9.626 5.815 1.00 0.00 C ATOM 1007 CG LEU B 2 -5.411 10.841 5.048 1.00 0.00 C ATOM 1008 CD1 LEU B 2 -4.445 11.230 3.940 1.00 0.00 C ATOM 1009 CD2 LEU B 2 -6.792 10.554 4.477 1.00 0.00 C ATOM 0 H LEU B 2 -2.190 9.637 5.264 1.00 0.00 H new ATOM 0 HA LEU B 2 -3.931 10.698 7.415 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -4.617 8.851 5.097 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -5.695 9.226 6.427 1.00 0.00 H new ATOM 0 HG LEU B 2 -5.492 11.678 5.741 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -4.835 12.096 3.405 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -3.475 11.476 4.373 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -4.332 10.396 3.247 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -7.150 11.429 3.934 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -6.735 9.704 3.798 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -7.481 10.324 5.290 1.00 0.00 H new ATOM 1021 N ILE B 3 -3.365 8.755 8.841 1.00 0.00 N ATOM 1022 CA ILE B 3 -3.063 7.612 9.695 1.00 0.00 C ATOM 1023 C ILE B 3 -4.350 6.944 10.168 1.00 0.00 C ATOM 1024 O ILE B 3 -5.046 7.451 11.048 1.00 0.00 O ATOM 1025 CB ILE B 3 -2.199 8.022 10.909 1.00 0.00 C ATOM 1026 CG1 ILE B 3 -1.714 6.781 11.662 1.00 0.00 C ATOM 1027 CG2 ILE B 3 -2.969 8.947 11.840 1.00 0.00 C ATOM 1028 CD1 ILE B 3 -0.324 6.937 12.247 1.00 0.00 C ATOM 0 H ILE B 3 -3.593 9.613 9.342 1.00 0.00 H new ATOM 0 HA ILE B 3 -2.490 6.900 9.101 1.00 0.00 H new ATOM 0 HB ILE B 3 -1.330 8.566 10.539 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -2.415 6.555 12.466 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -1.721 5.928 10.984 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -2.338 9.220 12.686 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -3.260 9.847 11.299 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -3.861 8.437 12.203 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -0.043 6.021 12.767 1.00 0.00 H new ATOM 0 HD12 ILE B 3 0.388 7.132 11.445 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -0.317 7.770 12.950 1.00 0.00 H new ATOM 1040 N LEU B 4 -4.654 5.797 9.573 1.00 0.00 N ATOM 1041 CA LEU B 4 -5.849 5.040 9.921 1.00 0.00 C ATOM 1042 C LEU B 4 -5.503 3.604 10.299 1.00 0.00 C ATOM 1043 O LEU B 4 -4.926 2.871 9.495 1.00 0.00 O ATOM 1044 CB LEU B 4 -6.835 5.049 8.752 1.00 0.00 C ATOM 1045 CG LEU B 4 -7.091 6.427 8.135 1.00 0.00 C ATOM 1046 CD1 LEU B 4 -7.008 6.358 6.617 1.00 0.00 C ATOM 1047 CD2 LEU B 4 -8.444 6.970 8.577 1.00 0.00 C ATOM 0 H LEU B 4 -4.085 5.369 8.843 1.00 0.00 H new ATOM 0 HA LEU B 4 -6.310 5.517 10.786 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -6.461 4.383 7.975 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.785 4.638 9.094 1.00 0.00 H new ATOM 0 HG LEU B 4 -6.318 7.110 8.488 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -7.193 7.347 6.197 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -6.015 6.018 6.322 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -7.757 5.659 6.243 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -8.607 7.950 8.128 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -9.232 6.288 8.257 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.462 7.061 9.663 1.00 0.00 H new ATOM 1059 N THR B 5 -5.860 3.192 11.512 1.00 0.00 N ATOM 1060 CA THR B 5 -5.581 1.828 11.949 1.00 0.00 C ATOM 1061 C THR B 5 -6.154 0.832 10.951 1.00 0.00 C ATOM 1062 O THR B 5 -7.261 1.017 10.445 1.00 0.00 O ATOM 1063 CB THR B 5 -6.162 1.570 13.338 1.00 0.00 C ATOM 1064 OG1 THR B 5 -6.488 2.787 13.985 1.00 0.00 O ATOM 1065 CG2 THR B 5 -5.217 0.807 14.240 1.00 0.00 C ATOM 0 H THR B 5 -6.336 3.774 12.201 1.00 0.00 H new ATOM 0 HA THR B 5 -4.500 1.701 12.001 1.00 0.00 H new ATOM 0 HB THR B 5 -7.055 0.967 13.172 1.00 0.00 H new ATOM 0 HG1 THR B 5 -6.860 2.597 14.872 1.00 0.00 H new ATOM 0 HG21 THR B 5 -5.686 0.654 15.212 1.00 0.00 H new ATOM 0 HG22 THR B 5 -4.988 -0.160 13.792 1.00 0.00 H new ATOM 0 HG23 THR B 5 -4.296 1.376 14.367 1.00 0.00 H new ATOM 1073 N ARG B 6 -5.397 -0.217 10.662 1.00 0.00 N ATOM 1074 CA ARG B 6 -5.847 -1.222 9.713 1.00 0.00 C ATOM 1075 C ARG B 6 -5.309 -2.605 10.056 1.00 0.00 C ATOM 1076 O ARG B 6 -4.180 -2.753 10.532 1.00 0.00 O ATOM 1077 CB ARG B 6 -5.424 -0.837 8.295 1.00 0.00 C ATOM 1078 CG ARG B 6 -6.300 0.234 7.667 1.00 0.00 C ATOM 1079 CD ARG B 6 -5.698 0.759 6.373 1.00 0.00 C ATOM 1080 NE ARG B 6 -6.263 2.050 5.989 1.00 0.00 N ATOM 1081 CZ ARG B 6 -6.010 2.656 4.831 1.00 0.00 C ATOM 1082 NH1 ARG B 6 -5.205 2.091 3.940 1.00 0.00 N ATOM 1083 NH2 ARG B 6 -6.566 3.829 4.563 1.00 0.00 N ATOM 0 H ARG B 6 -4.477 -0.393 11.067 1.00 0.00 H new ATOM 0 HA ARG B 6 -6.935 -1.263 9.770 1.00 0.00 H new ATOM 0 HB2 ARG B 6 -4.393 -0.485 8.316 1.00 0.00 H new ATOM 0 HB3 ARG B 6 -5.444 -1.726 7.665 1.00 0.00 H new ATOM 0 HG2 ARG B 6 -7.291 -0.175 7.469 1.00 0.00 H new ATOM 0 HG3 ARG B 6 -6.430 1.057 8.369 1.00 0.00 H new ATOM 0 HD2 ARG B 6 -4.619 0.856 6.489 1.00 0.00 H new ATOM 0 HD3 ARG B 6 -5.869 0.037 5.575 1.00 0.00 H new ATOM 0 HE ARG B 6 -6.888 2.515 6.647 1.00 0.00 H new ATOM 0 HH11 ARG B 6 -4.776 1.187 4.141 1.00 0.00 H new ATOM 0 HH12 ARG B 6 -5.015 2.560 3.054 1.00 0.00 H new ATOM 0 HH21 ARG B 6 -7.187 4.266 5.244 1.00 0.00 H new ATOM 0 HH22 ARG B 6 -6.373 4.294 3.676 1.00 0.00 H new ATOM 1097 N ARG B 7 -6.138 -3.609 9.796 1.00 0.00 N ATOM 1098 CA ARG B 7 -5.796 -5.004 10.047 1.00 0.00 C ATOM 1099 C ARG B 7 -7.008 -5.886 9.756 1.00 0.00 C ATOM 1100 O ARG B 7 -7.082 -6.526 8.707 1.00 0.00 O ATOM 1101 CB ARG B 7 -5.317 -5.203 11.489 1.00 0.00 C ATOM 1102 CG ARG B 7 -4.601 -6.528 11.712 1.00 0.00 C ATOM 1103 CD ARG B 7 -5.327 -7.403 12.724 1.00 0.00 C ATOM 1104 NE ARG B 7 -5.732 -8.682 12.147 1.00 0.00 N ATOM 1105 CZ ARG B 7 -6.104 -9.737 12.869 1.00 0.00 C ATOM 1106 NH1 ARG B 7 -6.124 -9.668 14.195 1.00 0.00 N ATOM 1107 NH2 ARG B 7 -6.457 -10.863 12.264 1.00 0.00 N ATOM 0 H ARG B 7 -7.070 -3.478 9.403 1.00 0.00 H new ATOM 0 HA ARG B 7 -4.978 -5.289 9.386 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -4.646 -4.387 11.757 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -6.174 -5.144 12.160 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -4.519 -7.060 10.764 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -3.585 -6.338 12.059 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -4.678 -7.581 13.582 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -6.207 -6.877 13.094 1.00 0.00 H new ATOM 0 HE ARG B 7 -5.730 -8.772 11.131 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -5.854 -8.804 14.665 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -6.410 -10.479 14.744 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -6.443 -10.921 11.246 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -6.742 -11.671 12.817 1.00 0.00 H new ATOM 1121 N VAL B 8 -7.961 -5.907 10.683 1.00 0.00 N ATOM 1122 CA VAL B 8 -9.174 -6.700 10.513 1.00 0.00 C ATOM 1123 C VAL B 8 -10.234 -5.928 9.726 1.00 0.00 C ATOM 1124 O VAL B 8 -11.354 -6.406 9.547 1.00 0.00 O ATOM 1125 CB VAL B 8 -9.776 -7.117 11.871 1.00 0.00 C ATOM 1126 CG1 VAL B 8 -10.762 -8.260 11.688 1.00 0.00 C ATOM 1127 CG2 VAL B 8 -8.680 -7.502 12.853 1.00 0.00 C ATOM 0 H VAL B 8 -7.917 -5.385 11.558 1.00 0.00 H new ATOM 0 HA VAL B 8 -8.885 -7.593 9.959 1.00 0.00 H new ATOM 0 HB VAL B 8 -10.313 -6.263 12.284 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -11.177 -8.541 12.656 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -11.568 -7.943 11.026 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -10.249 -9.116 11.250 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -9.128 -7.792 13.803 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -8.109 -8.339 12.451 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -8.017 -6.651 13.010 1.00 0.00 H new ATOM 1137 N GLY B 9 -9.878 -4.729 9.264 1.00 0.00 N ATOM 1138 CA GLY B 9 -10.815 -3.915 8.512 1.00 0.00 C ATOM 1139 C GLY B 9 -10.850 -4.265 7.037 1.00 0.00 C ATOM 1140 O GLY B 9 -10.812 -5.439 6.668 1.00 0.00 O ATOM 0 H GLY B 9 -8.958 -4.310 9.398 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -11.813 -4.037 8.933 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -10.547 -2.864 8.625 1.00 0.00 H new ATOM 1144 N GLU B 10 -10.931 -3.240 6.193 1.00 0.00 N ATOM 1145 CA GLU B 10 -10.981 -3.439 4.748 1.00 0.00 C ATOM 1146 C GLU B 10 -9.676 -3.004 4.086 1.00 0.00 C ATOM 1147 O GLU B 10 -8.717 -2.633 4.762 1.00 0.00 O ATOM 1148 CB GLU B 10 -12.154 -2.660 4.150 1.00 0.00 C ATOM 1149 CG GLU B 10 -13.464 -3.431 4.161 1.00 0.00 C ATOM 1150 CD GLU B 10 -13.914 -3.795 5.563 1.00 0.00 C ATOM 1151 OE1 GLU B 10 -13.856 -2.919 6.451 1.00 0.00 O ATOM 1152 OE2 GLU B 10 -14.323 -4.956 5.772 1.00 0.00 O ATOM 0 H GLU B 10 -10.963 -2.263 6.485 1.00 0.00 H new ATOM 0 HA GLU B 10 -11.121 -4.503 4.559 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -12.284 -1.731 4.706 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -11.912 -2.386 3.123 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -14.237 -2.833 3.679 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -13.351 -4.341 3.572 1.00 0.00 H new ATOM 1159 N THR B 11 -9.649 -3.057 2.757 1.00 0.00 N ATOM 1160 CA THR B 11 -8.466 -2.673 1.995 1.00 0.00 C ATOM 1161 C THR B 11 -8.630 -1.282 1.391 1.00 0.00 C ATOM 1162 O THR B 11 -9.736 -0.745 1.336 1.00 0.00 O ATOM 1163 CB THR B 11 -8.206 -3.692 0.884 1.00 0.00 C ATOM 1164 OG1 THR B 11 -9.166 -3.561 -0.150 1.00 0.00 O ATOM 1165 CG2 THR B 11 -8.245 -5.125 1.366 1.00 0.00 C ATOM 0 H THR B 11 -10.436 -3.363 2.185 1.00 0.00 H new ATOM 0 HA THR B 11 -7.616 -2.653 2.676 1.00 0.00 H new ATOM 0 HB THR B 11 -7.201 -3.475 0.521 1.00 0.00 H new ATOM 0 HG1 THR B 11 -8.982 -4.220 -0.852 1.00 0.00 H new ATOM 0 HG21 THR B 11 -8.053 -5.796 0.529 1.00 0.00 H new ATOM 0 HG22 THR B 11 -7.483 -5.272 2.131 1.00 0.00 H new ATOM 0 HG23 THR B 11 -9.227 -5.341 1.786 1.00 0.00 H new ATOM 1173 N LEU B 12 -7.522 -0.706 0.933 1.00 0.00 N ATOM 1174 CA LEU B 12 -7.547 0.622 0.325 1.00 0.00 C ATOM 1175 C LEU B 12 -7.270 0.530 -1.173 1.00 0.00 C ATOM 1176 O LEU B 12 -6.630 -0.416 -1.633 1.00 0.00 O ATOM 1177 CB LEU B 12 -6.532 1.550 1.012 1.00 0.00 C ATOM 1178 CG LEU B 12 -5.107 1.528 0.445 1.00 0.00 C ATOM 1179 CD1 LEU B 12 -4.510 2.927 0.448 1.00 0.00 C ATOM 1180 CD2 LEU B 12 -4.231 0.575 1.241 1.00 0.00 C ATOM 0 H LEU B 12 -6.598 -1.136 0.971 1.00 0.00 H new ATOM 0 HA LEU B 12 -8.542 1.046 0.462 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -6.908 2.572 0.956 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -6.485 1.285 2.068 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.153 1.175 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -3.499 2.892 0.042 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -5.124 3.586 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -4.478 3.307 1.469 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -3.224 0.573 0.824 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.193 0.899 2.281 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -4.647 -0.431 1.189 1.00 0.00 H new ATOM 1192 N MET B 13 -7.752 1.509 -1.934 1.00 0.00 N ATOM 1193 CA MET B 13 -7.541 1.510 -3.375 1.00 0.00 C ATOM 1194 C MET B 13 -7.018 2.856 -3.859 1.00 0.00 C ATOM 1195 O MET B 13 -7.781 3.806 -4.038 1.00 0.00 O ATOM 1196 CB MET B 13 -8.844 1.168 -4.099 1.00 0.00 C ATOM 1197 CG MET B 13 -8.663 0.904 -5.585 1.00 0.00 C ATOM 1198 SD MET B 13 -10.210 1.020 -6.504 1.00 0.00 S ATOM 1199 CE MET B 13 -9.794 2.279 -7.709 1.00 0.00 C ATOM 0 H MET B 13 -8.286 2.303 -1.580 1.00 0.00 H new ATOM 0 HA MET B 13 -6.791 0.753 -3.603 1.00 0.00 H new ATOM 0 HB2 MET B 13 -9.288 0.288 -3.634 1.00 0.00 H new ATOM 0 HB3 MET B 13 -9.549 1.989 -3.967 1.00 0.00 H new ATOM 0 HG2 MET B 13 -7.948 1.619 -5.993 1.00 0.00 H new ATOM 0 HG3 MET B 13 -8.236 -0.089 -5.724 1.00 0.00 H new ATOM 0 HE1 MET B 13 -10.628 2.413 -8.398 1.00 0.00 H new ATOM 0 HE2 MET B 13 -9.592 3.220 -7.197 1.00 0.00 H new ATOM 0 HE3 MET B 13 -8.909 1.971 -8.266 1.00 0.00 H new ATOM 1209 N ILE B 14 -5.711 2.923 -4.076 1.00 0.00 N ATOM 1210 CA ILE B 14 -5.073 4.139 -4.549 1.00 0.00 C ATOM 1211 C ILE B 14 -4.466 3.921 -5.935 1.00 0.00 C ATOM 1212 O ILE B 14 -3.674 3.001 -6.136 1.00 0.00 O ATOM 1213 CB ILE B 14 -3.976 4.609 -3.571 1.00 0.00 C ATOM 1214 CG1 ILE B 14 -3.288 5.872 -4.095 1.00 0.00 C ATOM 1215 CG2 ILE B 14 -2.959 3.500 -3.340 1.00 0.00 C ATOM 1216 CD1 ILE B 14 -4.245 7.012 -4.355 1.00 0.00 C ATOM 0 H ILE B 14 -5.071 2.143 -3.930 1.00 0.00 H new ATOM 0 HA ILE B 14 -5.839 4.912 -4.610 1.00 0.00 H new ATOM 0 HB ILE B 14 -4.446 4.850 -2.618 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -2.538 6.194 -3.373 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -2.760 5.633 -5.018 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -2.192 3.848 -2.648 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -3.460 2.629 -2.918 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.495 3.228 -4.288 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -3.691 7.875 -4.724 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -4.980 6.707 -5.100 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -4.755 7.277 -3.429 1.00 0.00 H new ATOM 1228 N GLY B 15 -4.842 4.769 -6.888 1.00 0.00 N ATOM 1229 CA GLY B 15 -4.326 4.643 -8.240 1.00 0.00 C ATOM 1230 C GLY B 15 -5.424 4.748 -9.281 1.00 0.00 C ATOM 1231 O GLY B 15 -5.945 5.835 -9.536 1.00 0.00 O ATOM 0 H GLY B 15 -5.494 5.541 -6.748 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -3.583 5.420 -8.418 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -3.817 3.685 -8.346 1.00 0.00 H new ATOM 1235 N ASP B 16 -5.779 3.618 -9.883 1.00 0.00 N ATOM 1236 CA ASP B 16 -6.827 3.591 -10.901 1.00 0.00 C ATOM 1237 C ASP B 16 -7.476 2.208 -11.018 1.00 0.00 C ATOM 1238 O ASP B 16 -8.320 1.991 -11.887 1.00 0.00 O ATOM 1239 CB ASP B 16 -6.254 4.012 -12.256 1.00 0.00 C ATOM 1240 CG ASP B 16 -7.170 4.964 -13.000 1.00 0.00 C ATOM 1241 OD1 ASP B 16 -8.387 4.957 -12.721 1.00 0.00 O ATOM 1242 OD2 ASP B 16 -6.670 5.718 -13.860 1.00 0.00 O ATOM 0 H ASP B 16 -5.359 2.710 -9.685 1.00 0.00 H new ATOM 0 HA ASP B 16 -7.600 4.296 -10.594 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -5.285 4.488 -12.106 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -6.083 3.125 -12.866 1.00 0.00 H new ATOM 1247 N GLU B 17 -7.083 1.279 -10.142 1.00 0.00 N ATOM 1248 CA GLU B 17 -7.625 -0.081 -10.146 1.00 0.00 C ATOM 1249 C GLU B 17 -6.719 -1.007 -9.336 1.00 0.00 C ATOM 1250 O GLU B 17 -6.154 -1.964 -9.866 1.00 0.00 O ATOM 1251 CB GLU B 17 -7.769 -0.612 -11.580 1.00 0.00 C ATOM 1252 CG GLU B 17 -9.213 -0.750 -12.036 1.00 0.00 C ATOM 1253 CD GLU B 17 -9.338 -1.435 -13.384 1.00 0.00 C ATOM 1254 OE1 GLU B 17 -8.293 -1.777 -13.977 1.00 0.00 O ATOM 1255 OE2 GLU B 17 -10.482 -1.630 -13.846 1.00 0.00 O ATOM 0 H GLU B 17 -6.386 1.447 -9.416 1.00 0.00 H new ATOM 0 HA GLU B 17 -8.615 -0.055 -9.690 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -7.244 0.058 -12.261 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -7.280 -1.584 -11.649 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -9.772 -1.317 -11.292 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -9.668 0.239 -12.092 1.00 0.00 H new ATOM 1262 N VAL B 18 -6.569 -0.704 -8.051 1.00 0.00 N ATOM 1263 CA VAL B 18 -5.721 -1.489 -7.178 1.00 0.00 C ATOM 1264 C VAL B 18 -6.526 -2.181 -6.073 1.00 0.00 C ATOM 1265 O VAL B 18 -7.739 -2.356 -6.187 1.00 0.00 O ATOM 1266 CB VAL B 18 -4.634 -0.594 -6.551 1.00 0.00 C ATOM 1267 CG1 VAL B 18 -3.938 0.233 -7.622 1.00 0.00 C ATOM 1268 CG2 VAL B 18 -5.221 0.304 -5.469 1.00 0.00 C ATOM 0 H VAL B 18 -7.028 0.084 -7.595 1.00 0.00 H new ATOM 0 HA VAL B 18 -5.252 -2.264 -7.785 1.00 0.00 H new ATOM 0 HB VAL B 18 -3.893 -1.241 -6.082 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -3.174 0.858 -7.160 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -3.472 -0.432 -8.349 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -4.669 0.866 -8.125 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -4.432 0.925 -5.044 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -5.990 0.942 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -5.661 -0.312 -4.684 1.00 0.00 H new ATOM 1278 N THR B 19 -5.831 -2.569 -5.006 1.00 0.00 N ATOM 1279 CA THR B 19 -6.441 -3.242 -3.865 1.00 0.00 C ATOM 1280 C THR B 19 -5.347 -3.732 -2.924 1.00 0.00 C ATOM 1281 O THR B 19 -4.723 -4.762 -3.171 1.00 0.00 O ATOM 1282 CB THR B 19 -7.306 -4.420 -4.325 1.00 0.00 C ATOM 1283 OG1 THR B 19 -6.930 -4.844 -5.623 1.00 0.00 O ATOM 1284 CG2 THR B 19 -8.785 -4.101 -4.356 1.00 0.00 C ATOM 0 H THR B 19 -4.826 -2.424 -4.910 1.00 0.00 H new ATOM 0 HA THR B 19 -7.084 -2.534 -3.342 1.00 0.00 H new ATOM 0 HB THR B 19 -7.136 -5.206 -3.589 1.00 0.00 H new ATOM 0 HG1 THR B 19 -7.494 -5.597 -5.897 1.00 0.00 H new ATOM 0 HG21 THR B 19 -9.339 -4.978 -4.690 1.00 0.00 H new ATOM 0 HG22 THR B 19 -9.118 -3.821 -3.357 1.00 0.00 H new ATOM 0 HG23 THR B 19 -8.965 -3.274 -5.043 1.00 0.00 H new ATOM 1292 N VAL B 20 -5.102 -2.984 -1.855 1.00 0.00 N ATOM 1293 CA VAL B 20 -4.063 -3.347 -0.899 1.00 0.00 C ATOM 1294 C VAL B 20 -4.658 -3.882 0.402 1.00 0.00 C ATOM 1295 O VAL B 20 -5.216 -3.125 1.200 1.00 0.00 O ATOM 1296 CB VAL B 20 -3.158 -2.142 -0.579 1.00 0.00 C ATOM 1297 CG1 VAL B 20 -2.015 -2.550 0.339 1.00 0.00 C ATOM 1298 CG2 VAL B 20 -2.624 -1.520 -1.860 1.00 0.00 C ATOM 0 H VAL B 20 -5.606 -2.126 -1.629 1.00 0.00 H new ATOM 0 HA VAL B 20 -3.469 -4.133 -1.365 1.00 0.00 H new ATOM 0 HB VAL B 20 -3.758 -1.395 -0.059 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -1.390 -1.682 0.550 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -2.420 -2.941 1.272 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -1.415 -3.319 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -1.987 -0.670 -1.614 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -2.044 -2.261 -2.410 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -3.458 -1.182 -2.475 1.00 0.00 H new ATOM 1308 N THR B 21 -4.529 -5.191 0.603 1.00 0.00 N ATOM 1309 CA THR B 21 -5.045 -5.842 1.803 1.00 0.00 C ATOM 1310 C THR B 21 -3.983 -5.889 2.899 1.00 0.00 C ATOM 1311 O THR B 21 -2.968 -6.573 2.767 1.00 0.00 O ATOM 1312 CB THR B 21 -5.515 -7.260 1.475 1.00 0.00 C ATOM 1313 OG1 THR B 21 -6.138 -7.301 0.203 1.00 0.00 O ATOM 1314 CG2 THR B 21 -6.495 -7.815 2.485 1.00 0.00 C ATOM 0 H THR B 21 -4.070 -5.823 -0.053 1.00 0.00 H new ATOM 0 HA THR B 21 -5.891 -5.258 2.167 1.00 0.00 H new ATOM 0 HB THR B 21 -4.614 -7.873 1.493 1.00 0.00 H new ATOM 0 HG1 THR B 21 -6.430 -8.217 0.011 1.00 0.00 H new ATOM 0 HG21 THR B 21 -6.788 -8.823 2.192 1.00 0.00 H new ATOM 0 HG22 THR B 21 -6.026 -7.844 3.469 1.00 0.00 H new ATOM 0 HG23 THR B 21 -7.378 -7.178 2.523 1.00 0.00 H new ATOM 1322 N VAL B 22 -4.223 -5.151 3.978 1.00 0.00 N ATOM 1323 CA VAL B 22 -3.285 -5.100 5.095 1.00 0.00 C ATOM 1324 C VAL B 22 -3.375 -6.357 5.958 1.00 0.00 C ATOM 1325 O VAL B 22 -3.854 -6.313 7.092 1.00 0.00 O ATOM 1326 CB VAL B 22 -3.536 -3.865 5.981 1.00 0.00 C ATOM 1327 CG1 VAL B 22 -3.225 -2.586 5.218 1.00 0.00 C ATOM 1328 CG2 VAL B 22 -4.969 -3.856 6.493 1.00 0.00 C ATOM 0 H VAL B 22 -5.059 -4.580 4.103 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.287 -5.035 4.662 1.00 0.00 H new ATOM 0 HB VAL B 22 -2.869 -3.917 6.841 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -3.409 -1.725 5.861 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -2.180 -2.592 4.909 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -3.864 -2.524 4.337 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.127 -2.976 7.117 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -5.657 -3.830 5.648 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -5.151 -4.755 7.081 1.00 0.00 H new ATOM 1338 N LEU B 23 -2.908 -7.478 5.415 1.00 0.00 N ATOM 1339 CA LEU B 23 -2.934 -8.745 6.138 1.00 0.00 C ATOM 1340 C LEU B 23 -1.589 -9.005 6.822 1.00 0.00 C ATOM 1341 O LEU B 23 -0.871 -8.065 7.164 1.00 0.00 O ATOM 1342 CB LEU B 23 -3.286 -9.892 5.184 1.00 0.00 C ATOM 1343 CG LEU B 23 -4.387 -10.842 5.673 1.00 0.00 C ATOM 1344 CD1 LEU B 23 -4.181 -11.237 7.134 1.00 0.00 C ATOM 1345 CD2 LEU B 23 -5.757 -10.207 5.482 1.00 0.00 C ATOM 0 H LEU B 23 -2.508 -7.534 4.478 1.00 0.00 H new ATOM 0 HA LEU B 23 -3.701 -8.688 6.910 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -3.595 -9.466 4.230 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -2.384 -10.475 4.996 1.00 0.00 H new ATOM 0 HG LEU B 23 -4.331 -11.751 5.074 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -4.980 -11.910 7.445 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -3.220 -11.740 7.243 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -4.196 -10.343 7.758 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -6.528 -10.893 5.833 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -5.810 -9.279 6.051 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -5.915 -9.994 4.425 1.00 0.00 H new ATOM 1357 N GLY B 24 -1.252 -10.279 7.029 1.00 0.00 N ATOM 1358 CA GLY B 24 0.000 -10.616 7.677 1.00 0.00 C ATOM 1359 C GLY B 24 0.086 -10.045 9.074 1.00 0.00 C ATOM 1360 O GLY B 24 0.902 -9.163 9.343 1.00 0.00 O ATOM 0 H GLY B 24 -1.825 -11.079 6.759 1.00 0.00 H new ATOM 0 HA2 GLY B 24 0.105 -11.700 7.721 1.00 0.00 H new ATOM 0 HA3 GLY B 24 0.830 -10.239 7.080 1.00 0.00 H new ATOM 1364 N VAL B 25 -0.765 -10.540 9.963 1.00 0.00 N ATOM 1365 CA VAL B 25 -0.787 -10.064 11.332 1.00 0.00 C ATOM 1366 C VAL B 25 0.234 -10.808 12.187 1.00 0.00 C ATOM 1367 O VAL B 25 0.056 -11.984 12.505 1.00 0.00 O ATOM 1368 CB VAL B 25 -2.187 -10.227 11.958 1.00 0.00 C ATOM 1369 CG1 VAL B 25 -2.297 -9.413 13.238 1.00 0.00 C ATOM 1370 CG2 VAL B 25 -3.276 -9.825 10.968 1.00 0.00 C ATOM 0 H VAL B 25 -1.447 -11.270 9.757 1.00 0.00 H new ATOM 0 HA VAL B 25 -0.530 -9.005 11.307 1.00 0.00 H new ATOM 0 HB VAL B 25 -2.329 -11.279 12.206 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -3.291 -9.540 13.666 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -1.548 -9.755 13.952 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -2.130 -8.359 13.015 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -4.254 -9.949 11.433 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -3.140 -8.782 10.681 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -3.213 -10.456 10.082 1.00 0.00 H new ATOM 1380 N LYS B 26 1.310 -10.114 12.544 1.00 0.00 N ATOM 1381 CA LYS B 26 2.370 -10.706 13.350 1.00 0.00 C ATOM 1382 C LYS B 26 3.138 -9.638 14.121 1.00 0.00 C ATOM 1383 O LYS B 26 3.029 -8.447 13.830 1.00 0.00 O ATOM 1384 CB LYS B 26 3.330 -11.502 12.462 1.00 0.00 C ATOM 1385 CG LYS B 26 3.755 -12.831 13.065 1.00 0.00 C ATOM 1386 CD LYS B 26 5.134 -13.248 12.579 1.00 0.00 C ATOM 1387 CE LYS B 26 5.045 -14.273 11.461 1.00 0.00 C ATOM 1388 NZ LYS B 26 4.944 -15.663 11.987 1.00 0.00 N ATOM 0 H LYS B 26 1.470 -9.140 12.287 1.00 0.00 H new ATOM 0 HA LYS B 26 1.907 -11.380 14.071 1.00 0.00 H new ATOM 0 HB2 LYS B 26 2.854 -11.685 11.499 1.00 0.00 H new ATOM 0 HB3 LYS B 26 4.218 -10.899 12.269 1.00 0.00 H new ATOM 0 HG2 LYS B 26 3.759 -12.754 14.152 1.00 0.00 H new ATOM 0 HG3 LYS B 26 3.028 -13.600 12.803 1.00 0.00 H new ATOM 0 HD2 LYS B 26 5.677 -12.371 12.227 1.00 0.00 H new ATOM 0 HD3 LYS B 26 5.703 -13.664 13.410 1.00 0.00 H new ATOM 0 HE2 LYS B 26 4.177 -14.057 10.839 1.00 0.00 H new ATOM 0 HE3 LYS B 26 5.924 -14.190 10.822 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 4.885 -16.331 11.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 5.785 -15.879 12.560 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 4.092 -15.750 12.576 1.00 0.00 H new ATOM 1402 N GLY B 27 3.917 -10.076 15.104 1.00 0.00 N ATOM 1403 CA GLY B 27 4.696 -9.150 15.903 1.00 0.00 C ATOM 1404 C GLY B 27 5.921 -8.639 15.169 1.00 0.00 C ATOM 1405 O GLY B 27 6.412 -9.283 14.242 1.00 0.00 O ATOM 0 H GLY B 27 4.023 -11.057 15.362 1.00 0.00 H new ATOM 0 HA2 GLY B 27 4.069 -8.305 16.189 1.00 0.00 H new ATOM 0 HA3 GLY B 27 5.007 -9.643 16.824 1.00 0.00 H new ATOM 1409 N ASN B 28 6.410 -7.473 15.584 1.00 0.00 N ATOM 1410 CA ASN B 28 7.582 -6.860 14.965 1.00 0.00 C ATOM 1411 C ASN B 28 7.259 -6.362 13.555 1.00 0.00 C ATOM 1412 O ASN B 28 6.856 -5.213 13.378 1.00 0.00 O ATOM 1413 CB ASN B 28 8.760 -7.842 14.936 1.00 0.00 C ATOM 1414 CG ASN B 28 9.788 -7.540 16.009 1.00 0.00 C ATOM 1415 OD1 ASN B 28 10.634 -6.661 15.845 1.00 0.00 O ATOM 1416 ND2 ASN B 28 9.720 -8.270 17.116 1.00 0.00 N ATOM 0 H ASN B 28 6.010 -6.931 16.350 1.00 0.00 H new ATOM 0 HA ASN B 28 7.870 -6.000 15.570 1.00 0.00 H new ATOM 0 HB2 ASN B 28 8.387 -8.857 15.069 1.00 0.00 H new ATOM 0 HB3 ASN B 28 9.238 -7.804 13.957 1.00 0.00 H new ATOM 0 HD21 ASN B 28 10.386 -8.112 17.873 1.00 0.00 H new ATOM 0 HD22 ASN B 28 9.002 -8.989 17.210 1.00 0.00 H new ATOM 1423 N GLN B 29 7.438 -7.222 12.553 1.00 0.00 N ATOM 1424 CA GLN B 29 7.163 -6.845 11.170 1.00 0.00 C ATOM 1425 C GLN B 29 5.936 -7.577 10.633 1.00 0.00 C ATOM 1426 O GLN B 29 5.865 -8.805 10.673 1.00 0.00 O ATOM 1427 CB GLN B 29 8.377 -7.144 10.288 1.00 0.00 C ATOM 1428 CG GLN B 29 9.647 -6.445 10.743 1.00 0.00 C ATOM 1429 CD GLN B 29 10.899 -7.224 10.390 1.00 0.00 C ATOM 1430 OE1 GLN B 29 11.551 -7.802 11.260 1.00 0.00 O ATOM 1431 NE2 GLN B 29 11.242 -7.243 9.107 1.00 0.00 N ATOM 0 H GLN B 29 7.770 -8.179 12.673 1.00 0.00 H new ATOM 0 HA GLN B 29 6.959 -5.775 11.148 1.00 0.00 H new ATOM 0 HB2 GLN B 29 8.550 -8.220 10.275 1.00 0.00 H new ATOM 0 HB3 GLN B 29 8.154 -6.844 9.264 1.00 0.00 H new ATOM 0 HG2 GLN B 29 9.697 -5.457 10.286 1.00 0.00 H new ATOM 0 HG3 GLN B 29 9.609 -6.295 11.822 1.00 0.00 H new ATOM 0 HE21 GLN B 29 10.672 -6.750 8.419 1.00 0.00 H new ATOM 0 HE22 GLN B 29 12.075 -7.751 8.809 1.00 0.00 H new ATOM 1440 N VAL B 30 4.967 -6.809 10.147 1.00 0.00 N ATOM 1441 CA VAL B 30 3.730 -7.373 9.616 1.00 0.00 C ATOM 1442 C VAL B 30 3.819 -7.588 8.110 1.00 0.00 C ATOM 1443 O VAL B 30 4.311 -6.727 7.381 1.00 0.00 O ATOM 1444 CB VAL B 30 2.523 -6.466 9.920 1.00 0.00 C ATOM 1445 CG1 VAL B 30 2.159 -6.535 11.395 1.00 0.00 C ATOM 1446 CG2 VAL B 30 2.813 -5.033 9.499 1.00 0.00 C ATOM 0 H VAL B 30 5.014 -5.791 10.110 1.00 0.00 H new ATOM 0 HA VAL B 30 3.589 -8.335 10.109 1.00 0.00 H new ATOM 0 HB VAL B 30 1.669 -6.823 9.344 1.00 0.00 H new ATOM 0 HG11 VAL B 30 1.304 -5.887 11.589 1.00 0.00 H new ATOM 0 HG12 VAL B 30 1.904 -7.561 11.659 1.00 0.00 H new ATOM 0 HG13 VAL B 30 3.007 -6.206 11.995 1.00 0.00 H new ATOM 0 HG21 VAL B 30 1.949 -4.407 9.721 1.00 0.00 H new ATOM 0 HG22 VAL B 30 3.680 -4.662 10.045 1.00 0.00 H new ATOM 0 HG23 VAL B 30 3.017 -5.002 8.429 1.00 0.00 H new ATOM 1456 N ARG B 31 3.321 -8.732 7.643 1.00 0.00 N ATOM 1457 CA ARG B 31 3.329 -9.039 6.228 1.00 0.00 C ATOM 1458 C ARG B 31 2.204 -8.288 5.529 1.00 0.00 C ATOM 1459 O ARG B 31 1.037 -8.662 5.630 1.00 0.00 O ATOM 1460 CB ARG B 31 3.187 -10.547 5.989 1.00 0.00 C ATOM 1461 CG ARG B 31 3.825 -11.406 7.071 1.00 0.00 C ATOM 1462 CD ARG B 31 4.368 -12.706 6.501 1.00 0.00 C ATOM 1463 NE ARG B 31 5.801 -12.627 6.228 1.00 0.00 N ATOM 1464 CZ ARG B 31 6.446 -13.448 5.401 1.00 0.00 C ATOM 1465 NH1 ARG B 31 5.790 -14.410 4.764 1.00 0.00 N ATOM 1466 NH2 ARG B 31 7.750 -13.305 5.210 1.00 0.00 N ATOM 0 H ARG B 31 2.909 -9.457 8.230 1.00 0.00 H new ATOM 0 HA ARG B 31 4.286 -8.721 5.814 1.00 0.00 H new ATOM 0 HB2 ARG B 31 2.128 -10.796 5.919 1.00 0.00 H new ATOM 0 HB3 ARG B 31 3.637 -10.797 5.028 1.00 0.00 H new ATOM 0 HG2 ARG B 31 4.633 -10.851 7.549 1.00 0.00 H new ATOM 0 HG3 ARG B 31 3.089 -11.626 7.844 1.00 0.00 H new ATOM 0 HD2 ARG B 31 4.177 -13.518 7.203 1.00 0.00 H new ATOM 0 HD3 ARG B 31 3.836 -12.949 5.581 1.00 0.00 H new ATOM 0 HE ARG B 31 6.340 -11.900 6.699 1.00 0.00 H new ATOM 0 HH11 ARG B 31 4.786 -14.524 4.907 1.00 0.00 H new ATOM 0 HH12 ARG B 31 6.289 -15.036 4.132 1.00 0.00 H new ATOM 0 HH21 ARG B 31 8.259 -12.567 5.696 1.00 0.00 H new ATOM 0 HH22 ARG B 31 8.245 -13.933 4.577 1.00 0.00 H new ATOM 1480 N ILE B 32 2.557 -7.214 4.838 1.00 0.00 N ATOM 1481 CA ILE B 32 1.566 -6.402 4.147 1.00 0.00 C ATOM 1482 C ILE B 32 1.301 -6.936 2.745 1.00 0.00 C ATOM 1483 O ILE B 32 2.230 -7.268 2.009 1.00 0.00 O ATOM 1484 CB ILE B 32 2.018 -4.931 4.066 1.00 0.00 C ATOM 1485 CG1 ILE B 32 2.562 -4.473 5.425 1.00 0.00 C ATOM 1486 CG2 ILE B 32 0.864 -4.044 3.622 1.00 0.00 C ATOM 1487 CD1 ILE B 32 1.512 -4.427 6.513 1.00 0.00 C ATOM 0 H ILE B 32 3.518 -6.886 4.741 1.00 0.00 H new ATOM 0 HA ILE B 32 0.642 -6.455 4.722 1.00 0.00 H new ATOM 0 HB ILE B 32 2.815 -4.847 3.327 1.00 0.00 H new ATOM 0 HG12 ILE B 32 3.362 -5.146 5.732 1.00 0.00 H new ATOM 0 HG13 ILE B 32 3.003 -3.482 5.315 1.00 0.00 H new ATOM 0 HG21 ILE B 32 1.200 -3.008 3.570 1.00 0.00 H new ATOM 0 HG22 ILE B 32 0.517 -4.363 2.639 1.00 0.00 H new ATOM 0 HG23 ILE B 32 0.047 -4.125 4.339 1.00 0.00 H new ATOM 0 HD11 ILE B 32 1.969 -4.095 7.445 1.00 0.00 H new ATOM 0 HD12 ILE B 32 0.723 -3.732 6.228 1.00 0.00 H new ATOM 0 HD13 ILE B 32 1.087 -5.421 6.651 1.00 0.00 H new ATOM 1499 N GLY B 33 0.023 -7.022 2.385 1.00 0.00 N ATOM 1500 CA GLY B 33 -0.348 -7.522 1.076 1.00 0.00 C ATOM 1501 C GLY B 33 -0.803 -6.423 0.145 1.00 0.00 C ATOM 1502 O GLY B 33 -1.819 -5.774 0.391 1.00 0.00 O ATOM 0 H GLY B 33 -0.762 -6.754 2.979 1.00 0.00 H new ATOM 0 HA2 GLY B 33 0.503 -8.039 0.634 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -1.146 -8.256 1.184 1.00 0.00 H new ATOM 1506 N VAL B 34 -0.051 -6.211 -0.927 1.00 0.00 N ATOM 1507 CA VAL B 34 -0.389 -5.178 -1.893 1.00 0.00 C ATOM 1508 C VAL B 34 -0.830 -5.785 -3.220 1.00 0.00 C ATOM 1509 O VAL B 34 -0.006 -6.244 -4.011 1.00 0.00 O ATOM 1510 CB VAL B 34 0.800 -4.233 -2.145 1.00 0.00 C ATOM 1511 CG1 VAL B 34 0.370 -3.049 -2.997 1.00 0.00 C ATOM 1512 CG2 VAL B 34 1.396 -3.762 -0.827 1.00 0.00 C ATOM 0 H VAL B 34 0.793 -6.739 -1.148 1.00 0.00 H new ATOM 0 HA VAL B 34 -1.214 -4.607 -1.466 1.00 0.00 H new ATOM 0 HB VAL B 34 1.568 -4.782 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL B 34 1.224 -2.392 -3.165 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -0.005 -3.408 -3.955 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -0.417 -2.497 -2.483 1.00 0.00 H new ATOM 0 HG21 VAL B 34 2.235 -3.095 -1.025 1.00 0.00 H new ATOM 0 HG22 VAL B 34 0.637 -3.230 -0.254 1.00 0.00 H new ATOM 0 HG23 VAL B 34 1.744 -4.623 -0.257 1.00 0.00 H new ATOM 1522 N ASN B 35 -2.137 -5.776 -3.455 1.00 0.00 N ATOM 1523 CA ASN B 35 -2.690 -6.315 -4.690 1.00 0.00 C ATOM 1524 C ASN B 35 -2.917 -5.193 -5.695 1.00 0.00 C ATOM 1525 O ASN B 35 -3.826 -4.381 -5.541 1.00 0.00 O ATOM 1526 CB ASN B 35 -4.003 -7.053 -4.417 1.00 0.00 C ATOM 1527 CG ASN B 35 -4.142 -8.313 -5.248 1.00 0.00 C ATOM 1528 OD1 ASN B 35 -3.509 -8.455 -6.293 1.00 0.00 O ATOM 1529 ND2 ASN B 35 -4.978 -9.237 -4.786 1.00 0.00 N ATOM 0 H ASN B 35 -2.831 -5.402 -2.808 1.00 0.00 H new ATOM 0 HA ASN B 35 -1.976 -7.026 -5.107 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -4.058 -7.311 -3.359 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -4.841 -6.388 -4.627 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -5.115 -10.106 -5.303 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -5.483 -9.078 -3.914 1.00 0.00 H new ATOM 1536 N ALA B 36 -2.075 -5.151 -6.715 1.00 0.00 N ATOM 1537 CA ALA B 36 -2.175 -4.120 -7.741 1.00 0.00 C ATOM 1538 C ALA B 36 -1.773 -4.644 -9.116 1.00 0.00 C ATOM 1539 O ALA B 36 -0.910 -5.514 -9.235 1.00 0.00 O ATOM 1540 CB ALA B 36 -1.316 -2.922 -7.364 1.00 0.00 C ATOM 0 H ALA B 36 -1.315 -5.817 -6.856 1.00 0.00 H new ATOM 0 HA ALA B 36 -3.219 -3.813 -7.799 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -1.398 -2.158 -8.137 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.658 -2.514 -6.413 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -0.276 -3.235 -7.272 1.00 0.00 H new ATOM 1546 N PRO B 37 -2.398 -4.109 -10.181 1.00 0.00 N ATOM 1547 CA PRO B 37 -2.108 -4.509 -11.557 1.00 0.00 C ATOM 1548 C PRO B 37 -0.838 -3.853 -12.087 1.00 0.00 C ATOM 1549 O PRO B 37 -0.425 -2.800 -11.603 1.00 0.00 O ATOM 1550 CB PRO B 37 -3.328 -4.005 -12.322 1.00 0.00 C ATOM 1551 CG PRO B 37 -3.758 -2.793 -11.572 1.00 0.00 C ATOM 1552 CD PRO B 37 -3.437 -3.060 -10.123 1.00 0.00 C ATOM 0 HA PRO B 37 -1.937 -5.581 -11.652 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -3.078 -3.765 -13.356 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -4.118 -4.756 -12.351 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -3.234 -1.907 -11.930 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -4.824 -2.609 -11.707 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -3.073 -2.163 -9.622 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -4.316 -3.397 -9.574 1.00 0.00 H new ATOM 1560 N LYS B 38 -0.222 -4.479 -13.083 1.00 0.00 N ATOM 1561 CA LYS B 38 1.001 -3.949 -13.675 1.00 0.00 C ATOM 1562 C LYS B 38 0.690 -3.039 -14.861 1.00 0.00 C ATOM 1563 O LYS B 38 1.363 -3.095 -15.890 1.00 0.00 O ATOM 1564 CB LYS B 38 1.912 -5.095 -14.122 1.00 0.00 C ATOM 1565 CG LYS B 38 2.041 -6.207 -13.094 1.00 0.00 C ATOM 1566 CD LYS B 38 3.450 -6.776 -13.062 1.00 0.00 C ATOM 1567 CE LYS B 38 3.437 -8.290 -12.925 1.00 0.00 C ATOM 1568 NZ LYS B 38 2.880 -8.725 -11.614 1.00 0.00 N ATOM 0 H LYS B 38 -0.548 -5.352 -13.497 1.00 0.00 H new ATOM 0 HA LYS B 38 1.513 -3.358 -12.916 1.00 0.00 H new ATOM 0 HB2 LYS B 38 1.526 -5.514 -15.051 1.00 0.00 H new ATOM 0 HB3 LYS B 38 2.903 -4.696 -14.340 1.00 0.00 H new ATOM 0 HG2 LYS B 38 1.780 -5.824 -12.108 1.00 0.00 H new ATOM 0 HG3 LYS B 38 1.332 -7.002 -13.325 1.00 0.00 H new ATOM 0 HD2 LYS B 38 3.977 -6.497 -13.974 1.00 0.00 H new ATOM 0 HD3 LYS B 38 4.001 -6.339 -12.229 1.00 0.00 H new ATOM 0 HE2 LYS B 38 2.845 -8.722 -13.732 1.00 0.00 H new ATOM 0 HE3 LYS B 38 4.452 -8.673 -13.033 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 2.889 -9.764 -11.561 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 3.459 -8.334 -10.844 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 1.903 -8.382 -11.521 1.00 0.00 H new ATOM 1582 N GLU B 39 -0.333 -2.199 -14.713 1.00 0.00 N ATOM 1583 CA GLU B 39 -0.726 -1.281 -15.776 1.00 0.00 C ATOM 1584 C GLU B 39 -0.540 0.171 -15.340 1.00 0.00 C ATOM 1585 O GLU B 39 -0.065 1.003 -16.112 1.00 0.00 O ATOM 1586 CB GLU B 39 -2.183 -1.526 -16.177 1.00 0.00 C ATOM 1587 CG GLU B 39 -2.335 -2.211 -17.526 1.00 0.00 C ATOM 1588 CD GLU B 39 -2.781 -1.257 -18.617 1.00 0.00 C ATOM 1589 OE1 GLU B 39 -3.855 -0.638 -18.462 1.00 0.00 O ATOM 1590 OE2 GLU B 39 -2.057 -1.129 -19.626 1.00 0.00 O ATOM 0 H GLU B 39 -0.902 -2.136 -13.869 1.00 0.00 H new ATOM 0 HA GLU B 39 -0.084 -1.466 -16.637 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.664 -2.136 -15.413 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -2.710 -0.572 -16.202 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -1.384 -2.662 -17.809 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -3.059 -3.021 -17.439 1.00 0.00 H new ATOM 1597 N VAL B 40 -0.915 0.467 -14.099 1.00 0.00 N ATOM 1598 CA VAL B 40 -0.785 1.819 -13.566 1.00 0.00 C ATOM 1599 C VAL B 40 0.640 2.078 -13.087 1.00 0.00 C ATOM 1600 O VAL B 40 1.391 1.142 -12.815 1.00 0.00 O ATOM 1601 CB VAL B 40 -1.766 2.071 -12.402 1.00 0.00 C ATOM 1602 CG1 VAL B 40 -1.866 3.557 -12.101 1.00 0.00 C ATOM 1603 CG2 VAL B 40 -3.138 1.493 -12.721 1.00 0.00 C ATOM 0 H VAL B 40 -1.310 -0.209 -13.445 1.00 0.00 H new ATOM 0 HA VAL B 40 -1.027 2.505 -14.378 1.00 0.00 H new ATOM 0 HB VAL B 40 -1.382 1.567 -11.515 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -2.562 3.715 -11.277 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -0.883 3.939 -11.824 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -2.224 4.084 -12.985 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -3.815 1.681 -11.888 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -3.531 1.965 -13.622 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -3.052 0.419 -12.883 1.00 0.00 H new ATOM 1613 N SER B 41 1.009 3.351 -12.990 1.00 0.00 N ATOM 1614 CA SER B 41 2.349 3.723 -12.546 1.00 0.00 C ATOM 1615 C SER B 41 2.599 3.247 -11.120 1.00 0.00 C ATOM 1616 O SER B 41 2.167 3.883 -10.158 1.00 0.00 O ATOM 1617 CB SER B 41 2.542 5.239 -12.633 1.00 0.00 C ATOM 1618 OG SER B 41 3.867 5.562 -13.018 1.00 0.00 O ATOM 0 H SER B 41 0.402 4.140 -13.212 1.00 0.00 H new ATOM 0 HA SER B 41 3.069 3.238 -13.205 1.00 0.00 H new ATOM 0 HB2 SER B 41 1.838 5.658 -13.352 1.00 0.00 H new ATOM 0 HB3 SER B 41 2.319 5.693 -11.668 1.00 0.00 H new ATOM 0 HG SER B 41 3.965 6.536 -13.068 1.00 0.00 H new ATOM 1624 N VAL B 42 3.299 2.124 -10.990 1.00 0.00 N ATOM 1625 CA VAL B 42 3.607 1.563 -9.681 1.00 0.00 C ATOM 1626 C VAL B 42 5.116 1.420 -9.489 1.00 0.00 C ATOM 1627 O VAL B 42 5.791 0.771 -10.287 1.00 0.00 O ATOM 1628 CB VAL B 42 2.942 0.184 -9.494 1.00 0.00 C ATOM 1629 CG1 VAL B 42 3.458 -0.806 -10.527 1.00 0.00 C ATOM 1630 CG2 VAL B 42 3.174 -0.336 -8.082 1.00 0.00 C ATOM 0 H VAL B 42 3.663 1.585 -11.776 1.00 0.00 H new ATOM 0 HA VAL B 42 3.212 2.253 -8.935 1.00 0.00 H new ATOM 0 HB VAL B 42 1.868 0.298 -9.642 1.00 0.00 H new ATOM 0 HG11 VAL B 42 2.976 -1.772 -10.377 1.00 0.00 H new ATOM 0 HG12 VAL B 42 3.231 -0.439 -11.528 1.00 0.00 H new ATOM 0 HG13 VAL B 42 4.537 -0.918 -10.417 1.00 0.00 H new ATOM 0 HG21 VAL B 42 2.697 -1.310 -7.970 1.00 0.00 H new ATOM 0 HG22 VAL B 42 4.245 -0.433 -7.901 1.00 0.00 H new ATOM 0 HG23 VAL B 42 2.747 0.362 -7.362 1.00 0.00 H new ATOM 1640 N HIS B 43 5.640 2.020 -8.423 1.00 0.00 N ATOM 1641 CA HIS B 43 7.066 1.946 -8.127 1.00 0.00 C ATOM 1642 C HIS B 43 7.285 1.494 -6.687 1.00 0.00 C ATOM 1643 O HIS B 43 6.608 1.964 -5.774 1.00 0.00 O ATOM 1644 CB HIS B 43 7.730 3.305 -8.356 1.00 0.00 C ATOM 1645 CG HIS B 43 9.203 3.215 -8.611 1.00 0.00 C ATOM 1646 ND1 HIS B 43 9.823 3.836 -9.673 1.00 0.00 N ATOM 1647 CD2 HIS B 43 10.182 2.569 -7.934 1.00 0.00 C ATOM 1648 CE1 HIS B 43 11.118 3.578 -9.641 1.00 0.00 C ATOM 1649 NE2 HIS B 43 11.362 2.811 -8.594 1.00 0.00 N ATOM 0 H HIS B 43 5.098 2.562 -7.751 1.00 0.00 H new ATOM 0 HA HIS B 43 7.520 1.217 -8.798 1.00 0.00 H new ATOM 0 HB2 HIS B 43 7.252 3.796 -9.204 1.00 0.00 H new ATOM 0 HB3 HIS B 43 7.558 3.936 -7.484 1.00 0.00 H new ATOM 0 HD2 HIS B 43 10.058 1.974 -7.041 1.00 0.00 H new ATOM 0 HE1 HIS B 43 11.852 3.933 -10.350 1.00 0.00 H new ATOM 0 HE2 HIS B 43 12.278 2.456 -8.320 1.00 0.00 H new ATOM 1657 N ARG B 44 8.230 0.582 -6.484 1.00 0.00 N ATOM 1658 CA ARG B 44 8.524 0.077 -5.148 1.00 0.00 C ATOM 1659 C ARG B 44 9.836 -0.701 -5.142 1.00 0.00 C ATOM 1660 O ARG B 44 10.577 -0.692 -6.125 1.00 0.00 O ATOM 1661 CB ARG B 44 7.382 -0.815 -4.656 1.00 0.00 C ATOM 1662 CG ARG B 44 7.183 -2.067 -5.494 1.00 0.00 C ATOM 1663 CD ARG B 44 5.710 -2.423 -5.622 1.00 0.00 C ATOM 1664 NE ARG B 44 5.493 -3.535 -6.545 1.00 0.00 N ATOM 1665 CZ ARG B 44 5.561 -3.424 -7.869 1.00 0.00 C ATOM 1666 NH1 ARG B 44 5.844 -2.255 -8.431 1.00 0.00 N ATOM 1667 NH2 ARG B 44 5.346 -4.485 -8.635 1.00 0.00 N ATOM 0 H ARG B 44 8.804 0.179 -7.225 1.00 0.00 H new ATOM 0 HA ARG B 44 8.624 0.928 -4.475 1.00 0.00 H new ATOM 0 HB2 ARG B 44 7.578 -1.106 -3.624 1.00 0.00 H new ATOM 0 HB3 ARG B 44 6.457 -0.238 -4.654 1.00 0.00 H new ATOM 0 HG2 ARG B 44 7.609 -1.914 -6.486 1.00 0.00 H new ATOM 0 HG3 ARG B 44 7.722 -2.899 -5.041 1.00 0.00 H new ATOM 0 HD2 ARG B 44 5.314 -2.684 -4.641 1.00 0.00 H new ATOM 0 HD3 ARG B 44 5.155 -1.551 -5.968 1.00 0.00 H new ATOM 0 HE ARG B 44 5.277 -4.451 -6.151 1.00 0.00 H new ATOM 0 HH11 ARG B 44 6.011 -1.435 -7.847 1.00 0.00 H new ATOM 0 HH12 ARG B 44 5.895 -2.176 -9.447 1.00 0.00 H new ATOM 0 HH21 ARG B 44 5.129 -5.386 -8.209 1.00 0.00 H new ATOM 0 HH22 ARG B 44 5.398 -4.400 -9.650 1.00 0.00 H new ATOM 1681 N GLU B 45 10.120 -1.373 -4.030 1.00 0.00 N ATOM 1682 CA GLU B 45 11.346 -2.155 -3.901 1.00 0.00 C ATOM 1683 C GLU B 45 11.483 -3.153 -5.048 1.00 0.00 C ATOM 1684 O GLU B 45 10.595 -3.975 -5.280 1.00 0.00 O ATOM 1685 CB GLU B 45 11.364 -2.894 -2.561 1.00 0.00 C ATOM 1686 CG GLU B 45 12.000 -2.095 -1.435 1.00 0.00 C ATOM 1687 CD GLU B 45 13.407 -1.639 -1.766 1.00 0.00 C ATOM 1688 OE1 GLU B 45 14.261 -2.506 -2.050 1.00 0.00 O ATOM 1689 OE2 GLU B 45 13.656 -0.415 -1.741 1.00 0.00 O ATOM 0 H GLU B 45 9.519 -1.392 -3.206 1.00 0.00 H new ATOM 0 HA GLU B 45 12.191 -1.467 -3.942 1.00 0.00 H new ATOM 0 HB2 GLU B 45 10.342 -3.149 -2.282 1.00 0.00 H new ATOM 0 HB3 GLU B 45 11.905 -3.833 -2.680 1.00 0.00 H new ATOM 0 HG2 GLU B 45 11.381 -1.224 -1.218 1.00 0.00 H new ATOM 0 HG3 GLU B 45 12.022 -2.703 -0.531 1.00 0.00 H new ATOM 1696 N GLU B 46 12.601 -3.074 -5.764 1.00 0.00 N ATOM 1697 CA GLU B 46 12.856 -3.965 -6.889 1.00 0.00 C ATOM 1698 C GLU B 46 12.808 -5.427 -6.455 1.00 0.00 C ATOM 1699 O GLU B 46 12.062 -6.227 -7.018 1.00 0.00 O ATOM 1700 CB GLU B 46 14.217 -3.649 -7.517 1.00 0.00 C ATOM 1701 CG GLU B 46 14.136 -3.277 -8.988 1.00 0.00 C ATOM 1702 CD GLU B 46 15.394 -2.593 -9.486 1.00 0.00 C ATOM 1703 OE1 GLU B 46 16.493 -3.147 -9.278 1.00 0.00 O ATOM 1704 OE2 GLU B 46 15.279 -1.502 -10.085 1.00 0.00 O ATOM 0 H GLU B 46 13.345 -2.400 -5.584 1.00 0.00 H new ATOM 0 HA GLU B 46 12.074 -3.804 -7.630 1.00 0.00 H new ATOM 0 HB2 GLU B 46 14.679 -2.829 -6.968 1.00 0.00 H new ATOM 0 HB3 GLU B 46 14.869 -4.515 -7.405 1.00 0.00 H new ATOM 0 HG2 GLU B 46 13.958 -4.177 -9.577 1.00 0.00 H new ATOM 0 HG3 GLU B 46 13.282 -2.619 -9.146 1.00 0.00 H new ATOM 1711 N ILE B 47 13.608 -5.770 -5.450 1.00 0.00 N ATOM 1712 CA ILE B 47 13.653 -7.136 -4.943 1.00 0.00 C ATOM 1713 C ILE B 47 12.287 -7.573 -4.423 1.00 0.00 C ATOM 1714 O ILE B 47 11.858 -8.706 -4.648 1.00 0.00 O ATOM 1715 CB ILE B 47 14.696 -7.281 -3.815 1.00 0.00 C ATOM 1716 CG1 ILE B 47 14.791 -8.739 -3.357 1.00 0.00 C ATOM 1717 CG2 ILE B 47 14.346 -6.374 -2.645 1.00 0.00 C ATOM 1718 CD1 ILE B 47 15.184 -9.696 -4.461 1.00 0.00 C ATOM 0 H ILE B 47 14.233 -5.121 -4.972 1.00 0.00 H new ATOM 0 HA ILE B 47 13.941 -7.777 -5.776 1.00 0.00 H new ATOM 0 HB ILE B 47 15.669 -6.979 -4.204 1.00 0.00 H new ATOM 0 HG12 ILE B 47 15.519 -8.811 -2.549 1.00 0.00 H new ATOM 0 HG13 ILE B 47 13.829 -9.046 -2.947 1.00 0.00 H new ATOM 0 HG21 ILE B 47 15.092 -6.490 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE B 47 14.330 -5.337 -2.981 1.00 0.00 H new ATOM 0 HG23 ILE B 47 13.364 -6.645 -2.256 1.00 0.00 H new ATOM 0 HD11 ILE B 47 15.232 -10.710 -4.064 1.00 0.00 H new ATOM 0 HD12 ILE B 47 14.444 -9.654 -5.260 1.00 0.00 H new ATOM 0 HD13 ILE B 47 16.160 -9.415 -4.856 1.00 0.00 H new ATOM 1730 N TYR B 48 11.608 -6.666 -3.726 1.00 0.00 N ATOM 1731 CA TYR B 48 10.289 -6.951 -3.169 1.00 0.00 C ATOM 1732 C TYR B 48 9.380 -7.605 -4.206 1.00 0.00 C ATOM 1733 O TYR B 48 8.841 -8.687 -3.977 1.00 0.00 O ATOM 1734 CB TYR B 48 9.645 -5.664 -2.650 1.00 0.00 C ATOM 1735 CG TYR B 48 10.000 -5.347 -1.214 1.00 0.00 C ATOM 1736 CD1 TYR B 48 11.322 -5.360 -0.787 1.00 0.00 C ATOM 1737 CD2 TYR B 48 9.014 -5.035 -0.286 1.00 0.00 C ATOM 1738 CE1 TYR B 48 11.652 -5.071 0.523 1.00 0.00 C ATOM 1739 CE2 TYR B 48 9.336 -4.745 1.026 1.00 0.00 C ATOM 1740 CZ TYR B 48 10.656 -4.765 1.426 1.00 0.00 C ATOM 1741 OH TYR B 48 10.980 -4.476 2.732 1.00 0.00 O ATOM 0 H TYR B 48 11.951 -5.725 -3.533 1.00 0.00 H new ATOM 0 HA TYR B 48 10.419 -7.648 -2.341 1.00 0.00 H new ATOM 0 HB2 TYR B 48 9.952 -4.832 -3.284 1.00 0.00 H new ATOM 0 HB3 TYR B 48 8.562 -5.748 -2.738 1.00 0.00 H new ATOM 0 HD1 TYR B 48 12.105 -5.600 -1.491 1.00 0.00 H new ATOM 0 HD2 TYR B 48 7.979 -5.019 -0.595 1.00 0.00 H new ATOM 0 HE1 TYR B 48 12.685 -5.085 0.838 1.00 0.00 H new ATOM 0 HE2 TYR B 48 8.558 -4.504 1.735 1.00 0.00 H new ATOM 0 HH TYR B 48 10.163 -4.281 3.236 1.00 0.00 H new ATOM 1751 N GLN B 49 9.215 -6.943 -5.346 1.00 0.00 N ATOM 1752 CA GLN B 49 8.372 -7.464 -6.416 1.00 0.00 C ATOM 1753 C GLN B 49 9.107 -8.528 -7.229 1.00 0.00 C ATOM 1754 O GLN B 49 8.480 -9.359 -7.886 1.00 0.00 O ATOM 1755 CB GLN B 49 7.917 -6.328 -7.333 1.00 0.00 C ATOM 1756 CG GLN B 49 9.065 -5.512 -7.906 1.00 0.00 C ATOM 1757 CD GLN B 49 8.803 -5.058 -9.328 1.00 0.00 C ATOM 1758 OE1 GLN B 49 8.540 -5.871 -10.214 1.00 0.00 O ATOM 1759 NE2 GLN B 49 8.873 -3.751 -9.554 1.00 0.00 N ATOM 0 H GLN B 49 9.653 -6.046 -5.553 1.00 0.00 H new ATOM 0 HA GLN B 49 7.498 -7.927 -5.959 1.00 0.00 H new ATOM 0 HB2 GLN B 49 7.334 -6.746 -8.154 1.00 0.00 H new ATOM 0 HB3 GLN B 49 7.254 -5.666 -6.776 1.00 0.00 H new ATOM 0 HG2 GLN B 49 9.236 -4.640 -7.275 1.00 0.00 H new ATOM 0 HG3 GLN B 49 9.978 -6.108 -7.881 1.00 0.00 H new ATOM 0 HE21 GLN B 49 9.094 -3.112 -8.790 1.00 0.00 H new ATOM 0 HE22 GLN B 49 8.706 -3.386 -10.492 1.00 0.00 H new ATOM 1768 N ARG B 50 10.437 -8.500 -7.178 1.00 0.00 N ATOM 1769 CA ARG B 50 11.251 -9.464 -7.909 1.00 0.00 C ATOM 1770 C ARG B 50 11.157 -10.855 -7.284 1.00 0.00 C ATOM 1771 O ARG B 50 11.569 -11.844 -7.888 1.00 0.00 O ATOM 1772 CB ARG B 50 12.711 -9.008 -7.945 1.00 0.00 C ATOM 1773 CG ARG B 50 13.569 -9.791 -8.926 1.00 0.00 C ATOM 1774 CD ARG B 50 13.359 -9.313 -10.353 1.00 0.00 C ATOM 1775 NE ARG B 50 14.386 -8.362 -10.770 1.00 0.00 N ATOM 1776 CZ ARG B 50 14.657 -8.072 -12.041 1.00 0.00 C ATOM 1777 NH1 ARG B 50 13.979 -8.655 -13.021 1.00 0.00 N ATOM 1778 NH2 ARG B 50 15.608 -7.195 -12.332 1.00 0.00 N ATOM 0 H ARG B 50 10.972 -7.820 -6.638 1.00 0.00 H new ATOM 0 HA ARG B 50 10.867 -9.520 -8.928 1.00 0.00 H new ATOM 0 HB2 ARG B 50 12.746 -7.951 -8.208 1.00 0.00 H new ATOM 0 HB3 ARG B 50 13.137 -9.103 -6.946 1.00 0.00 H new ATOM 0 HG2 ARG B 50 14.620 -9.686 -8.657 1.00 0.00 H new ATOM 0 HG3 ARG B 50 13.327 -10.852 -8.857 1.00 0.00 H new ATOM 0 HD2 ARG B 50 13.364 -10.170 -11.026 1.00 0.00 H new ATOM 0 HD3 ARG B 50 12.378 -8.847 -10.438 1.00 0.00 H new ATOM 0 HE ARG B 50 14.928 -7.892 -10.045 1.00 0.00 H new ATOM 0 HH11 ARG B 50 13.246 -9.329 -12.803 1.00 0.00 H new ATOM 0 HH12 ARG B 50 14.191 -8.429 -13.993 1.00 0.00 H new ATOM 0 HH21 ARG B 50 16.132 -6.743 -11.582 1.00 0.00 H new ATOM 0 HH22 ARG B 50 15.816 -6.972 -13.305 1.00 0.00 H new ATOM 1792 N ILE B 51 10.612 -10.924 -6.072 1.00 0.00 N ATOM 1793 CA ILE B 51 10.461 -12.191 -5.369 1.00 0.00 C ATOM 1794 C ILE B 51 8.986 -12.519 -5.162 1.00 0.00 C ATOM 1795 O ILE B 51 8.579 -13.678 -5.242 1.00 0.00 O ATOM 1796 CB ILE B 51 11.177 -12.168 -4.003 1.00 0.00 C ATOM 1797 CG1 ILE B 51 11.099 -13.543 -3.334 1.00 0.00 C ATOM 1798 CG2 ILE B 51 10.574 -11.099 -3.103 1.00 0.00 C ATOM 1799 CD1 ILE B 51 12.418 -14.009 -2.756 1.00 0.00 C ATOM 0 H ILE B 51 10.267 -10.114 -5.557 1.00 0.00 H new ATOM 0 HA ILE B 51 10.920 -12.961 -5.989 1.00 0.00 H new ATOM 0 HB ILE B 51 12.227 -11.925 -4.167 1.00 0.00 H new ATOM 0 HG12 ILE B 51 10.354 -13.510 -2.539 1.00 0.00 H new ATOM 0 HG13 ILE B 51 10.753 -14.274 -4.064 1.00 0.00 H new ATOM 0 HG21 ILE B 51 11.091 -11.097 -2.144 1.00 0.00 H new ATOM 0 HG22 ILE B 51 10.682 -10.123 -3.575 1.00 0.00 H new ATOM 0 HG23 ILE B 51 9.517 -11.311 -2.945 1.00 0.00 H new ATOM 0 HD11 ILE B 51 12.288 -14.990 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE B 51 13.161 -14.075 -3.551 1.00 0.00 H new ATOM 0 HD13 ILE B 51 12.756 -13.298 -2.002 1.00 0.00 H new ATOM 1811 N GLN B 52 8.190 -11.485 -4.908 1.00 0.00 N ATOM 1812 CA GLN B 52 6.757 -11.655 -4.704 1.00 0.00 C ATOM 1813 C GLN B 52 6.028 -11.604 -6.042 1.00 0.00 C ATOM 1814 O GLN B 52 5.345 -12.554 -6.425 1.00 0.00 O ATOM 1815 CB GLN B 52 6.220 -10.570 -3.766 1.00 0.00 C ATOM 1816 CG GLN B 52 5.586 -11.122 -2.500 1.00 0.00 C ATOM 1817 CD GLN B 52 6.578 -11.870 -1.631 1.00 0.00 C ATOM 1818 OE1 GLN B 52 7.735 -11.469 -1.502 1.00 0.00 O ATOM 1819 NE2 GLN B 52 6.130 -12.966 -1.029 1.00 0.00 N ATOM 0 H GLN B 52 8.514 -10.520 -4.839 1.00 0.00 H new ATOM 0 HA GLN B 52 6.582 -12.628 -4.245 1.00 0.00 H new ATOM 0 HB2 GLN B 52 7.036 -9.901 -3.492 1.00 0.00 H new ATOM 0 HB3 GLN B 52 5.483 -9.971 -4.301 1.00 0.00 H new ATOM 0 HG2 GLN B 52 5.153 -10.302 -1.927 1.00 0.00 H new ATOM 0 HG3 GLN B 52 4.768 -11.790 -2.769 1.00 0.00 H new ATOM 0 HE21 GLN B 52 5.163 -13.263 -1.163 1.00 0.00 H new ATOM 0 HE22 GLN B 52 6.753 -13.511 -0.432 1.00 0.00 H new ATOM 1828 N ALA B 53 6.190 -10.493 -6.754 1.00 0.00 N ATOM 1829 CA ALA B 53 5.560 -10.324 -8.055 1.00 0.00 C ATOM 1830 C ALA B 53 6.061 -11.385 -9.027 1.00 0.00 C ATOM 1831 O ALA B 53 5.273 -12.086 -9.661 1.00 0.00 O ATOM 1832 CB ALA B 53 5.831 -8.930 -8.600 1.00 0.00 C ATOM 0 H ALA B 53 6.752 -9.698 -6.451 1.00 0.00 H new ATOM 0 HA ALA B 53 4.483 -10.443 -7.938 1.00 0.00 H new ATOM 0 HB1 ALA B 53 5.353 -8.821 -9.573 1.00 0.00 H new ATOM 0 HB2 ALA B 53 5.429 -8.186 -7.912 1.00 0.00 H new ATOM 0 HB3 ALA B 53 6.906 -8.783 -8.705 1.00 0.00 H new ATOM 1838 N GLU B 54 7.381 -11.501 -9.128 1.00 0.00 N ATOM 1839 CA GLU B 54 7.998 -12.482 -10.010 1.00 0.00 C ATOM 1840 C GLU B 54 8.719 -13.552 -9.198 1.00 0.00 C ATOM 1841 O GLU B 54 9.673 -13.263 -8.478 1.00 0.00 O ATOM 1842 CB GLU B 54 8.981 -11.798 -10.963 1.00 0.00 C ATOM 1843 CG GLU B 54 9.462 -12.699 -12.089 1.00 0.00 C ATOM 1844 CD GLU B 54 9.837 -11.923 -13.336 1.00 0.00 C ATOM 1845 OE1 GLU B 54 9.058 -11.033 -13.739 1.00 0.00 O ATOM 1846 OE2 GLU B 54 10.910 -12.204 -13.911 1.00 0.00 O ATOM 0 H GLU B 54 8.044 -10.926 -8.608 1.00 0.00 H new ATOM 0 HA GLU B 54 7.212 -12.958 -10.596 1.00 0.00 H new ATOM 0 HB2 GLU B 54 8.505 -10.917 -11.392 1.00 0.00 H new ATOM 0 HB3 GLU B 54 9.843 -11.449 -10.394 1.00 0.00 H new ATOM 0 HG2 GLU B 54 10.325 -13.271 -11.748 1.00 0.00 H new ATOM 0 HG3 GLU B 54 8.680 -13.417 -12.334 1.00 0.00 H new ATOM 1853 N LYS B 55 8.253 -14.788 -9.316 1.00 0.00 N ATOM 1854 CA LYS B 55 8.848 -15.905 -8.592 1.00 0.00 C ATOM 1855 C LYS B 55 10.306 -16.104 -8.998 1.00 0.00 C ATOM 1856 O LYS B 55 10.595 -16.607 -10.083 1.00 0.00 O ATOM 1857 CB LYS B 55 8.052 -17.187 -8.848 1.00 0.00 C ATOM 1858 CG LYS B 55 7.245 -17.650 -7.645 1.00 0.00 C ATOM 1859 CD LYS B 55 7.513 -19.110 -7.319 1.00 0.00 C ATOM 1860 CE LYS B 55 7.400 -19.377 -5.826 1.00 0.00 C ATOM 1861 NZ LYS B 55 6.021 -19.785 -5.435 1.00 0.00 N ATOM 0 H LYS B 55 7.463 -15.044 -9.908 1.00 0.00 H new ATOM 0 HA LYS B 55 8.817 -15.674 -7.527 1.00 0.00 H new ATOM 0 HB2 LYS B 55 7.377 -17.024 -9.688 1.00 0.00 H new ATOM 0 HB3 LYS B 55 8.740 -17.980 -9.141 1.00 0.00 H new ATOM 0 HG2 LYS B 55 7.492 -17.033 -6.781 1.00 0.00 H new ATOM 0 HG3 LYS B 55 6.182 -17.510 -7.843 1.00 0.00 H new ATOM 0 HD2 LYS B 55 6.805 -19.740 -7.857 1.00 0.00 H new ATOM 0 HD3 LYS B 55 8.510 -19.384 -7.664 1.00 0.00 H new ATOM 0 HE2 LYS B 55 8.104 -20.160 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS B 55 7.683 -18.480 -5.275 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 5.987 -19.957 -4.410 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 5.352 -19.028 -5.681 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 5.760 -20.655 -5.941 1.00 0.00 H new