USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 683 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.74 (180deg=-0.88) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -1.67! C(o=-1.7!,f=-4.5!) USER MOD Single : A 11 ASN : amide:sc= -0.602 K(o=-0.6,f=-3.6) USER MOD Single : A 13 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.016) USER MOD Single : A 16 GLN : amide:sc= -0.0921 X(o=-0.092,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.057) USER MOD Single : A 23 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000809) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.0185 K(o=-0.018,f=-0.74!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= 0.207 (180deg=0.0992) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -15:sc= -1.69 USER MOD Single : A 64 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.19) USER MOD Single : A 67 MET CE :methyl -130:sc= -0.781 (180deg=-4.12!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -96:sc= 0.782 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.458 -11.729 4.511 1.00 0.00 N ATOM 2 CA MET A 1 -7.721 -13.024 4.577 1.00 0.00 C ATOM 3 C MET A 1 -6.237 -12.802 4.274 1.00 0.00 C ATOM 4 O MET A 1 -5.403 -13.642 4.552 1.00 0.00 O ATOM 5 CB MET A 1 -8.365 -13.902 3.505 1.00 0.00 C ATOM 6 CG MET A 1 -8.848 -15.210 4.136 1.00 0.00 C ATOM 7 SD MET A 1 -10.656 -15.210 4.217 1.00 0.00 S ATOM 8 CE MET A 1 -10.905 -16.942 3.754 1.00 0.00 C ATOM 0 H1 MET A 1 -9.322 -11.791 5.087 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.853 -10.966 4.876 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.714 -11.525 3.524 1.00 0.00 H new ATOM 0 HA MET A 1 -7.777 -13.483 5.564 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.202 -13.377 3.045 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.647 -14.112 2.713 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.500 -16.060 3.549 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.429 -15.320 5.136 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.972 -17.165 3.741 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.485 -17.118 2.764 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.408 -17.587 4.479 1.00 0.00 H new ATOM 20 N ARG A 2 -5.901 -11.675 3.705 1.00 0.00 N ATOM 21 CA ARG A 2 -4.470 -11.397 3.385 1.00 0.00 C ATOM 22 C ARG A 2 -4.184 -9.896 3.509 1.00 0.00 C ATOM 23 O ARG A 2 -5.022 -9.131 3.940 1.00 0.00 O ATOM 24 CB ARG A 2 -4.284 -11.869 1.943 1.00 0.00 C ATOM 25 CG ARG A 2 -3.198 -12.948 1.896 1.00 0.00 C ATOM 26 CD ARG A 2 -3.732 -14.181 1.163 1.00 0.00 C ATOM 27 NE ARG A 2 -3.722 -15.268 2.181 1.00 0.00 N ATOM 28 CZ ARG A 2 -4.389 -16.370 1.966 1.00 0.00 C ATOM 29 NH1 ARG A 2 -4.837 -16.637 0.770 1.00 0.00 N ATOM 30 NH2 ARG A 2 -4.606 -17.203 2.946 1.00 0.00 N ATOM 0 H ARG A 2 -6.555 -10.935 3.448 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.787 -11.905 4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.222 -12.265 1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.005 -11.029 1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.313 -12.565 1.388 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.894 -13.217 2.908 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.738 -14.008 0.780 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.105 -14.435 0.308 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.194 -15.152 3.046 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.666 -15.985 0.004 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.358 -17.497 0.601 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.255 -16.994 3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.127 -18.064 2.778 1.00 0.00 H new ATOM 44 N ARG A 3 -3.004 -9.469 3.143 1.00 0.00 N ATOM 45 CA ARG A 3 -2.669 -8.018 3.253 1.00 0.00 C ATOM 46 C ARG A 3 -2.956 -7.290 1.934 1.00 0.00 C ATOM 47 O ARG A 3 -2.682 -7.796 0.866 1.00 0.00 O ATOM 48 CB ARG A 3 -1.171 -7.982 3.560 1.00 0.00 C ATOM 49 CG ARG A 3 -0.950 -8.193 5.059 1.00 0.00 C ATOM 50 CD ARG A 3 -0.850 -9.690 5.353 1.00 0.00 C ATOM 51 NE ARG A 3 -1.620 -9.885 6.613 1.00 0.00 N ATOM 52 CZ ARG A 3 -1.631 -11.052 7.197 1.00 0.00 C ATOM 53 NH1 ARG A 3 -0.618 -11.863 7.054 1.00 0.00 N ATOM 54 NH2 ARG A 3 -2.655 -11.407 7.925 1.00 0.00 N ATOM 0 H ARG A 3 -2.259 -10.060 2.774 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.264 -7.522 4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.655 -8.757 2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.749 -7.026 3.251 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -0.039 -7.687 5.378 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.772 -7.755 5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.268 -10.281 4.539 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.188 -10.001 5.472 1.00 0.00 H new ATOM 0 HE ARG A 3 -2.139 -9.106 7.019 1.00 0.00 H new ATOM 0 HH11 ARG A 3 0.182 -11.584 6.486 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -0.627 -12.775 7.510 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.446 -10.772 8.037 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.664 -12.319 8.382 1.00 0.00 H new ATOM 68 N TYR A 4 -3.496 -6.097 2.000 1.00 0.00 N ATOM 69 CA TYR A 4 -3.784 -5.341 0.753 1.00 0.00 C ATOM 70 C TYR A 4 -3.172 -3.942 0.846 1.00 0.00 C ATOM 71 O TYR A 4 -2.807 -3.483 1.909 1.00 0.00 O ATOM 72 CB TYR A 4 -5.304 -5.246 0.679 1.00 0.00 C ATOM 73 CG TYR A 4 -5.901 -6.631 0.593 1.00 0.00 C ATOM 74 CD1 TYR A 4 -5.973 -7.437 1.735 1.00 0.00 C ATOM 75 CD2 TYR A 4 -6.385 -7.109 -0.631 1.00 0.00 C ATOM 76 CE1 TYR A 4 -6.527 -8.720 1.655 1.00 0.00 C ATOM 77 CE2 TYR A 4 -6.940 -8.392 -0.712 1.00 0.00 C ATOM 78 CZ TYR A 4 -7.011 -9.197 0.431 1.00 0.00 C ATOM 79 OH TYR A 4 -7.557 -10.462 0.350 1.00 0.00 O ATOM 0 H TYR A 4 -3.748 -5.619 2.865 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.366 -5.826 -0.129 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.688 -4.729 1.558 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.599 -4.659 -0.191 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.601 -7.068 2.679 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.330 -6.488 -1.513 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -6.581 -9.341 2.537 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.313 -8.760 -1.656 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.845 -10.636 -0.570 1.00 0.00 H new ATOM 89 N GLU A 5 -3.062 -3.263 -0.258 1.00 0.00 N ATOM 90 CA GLU A 5 -2.475 -1.891 -0.234 1.00 0.00 C ATOM 91 C GLU A 5 -3.454 -0.895 -0.854 1.00 0.00 C ATOM 92 O GLU A 5 -4.132 -1.198 -1.816 1.00 0.00 O ATOM 93 CB GLU A 5 -1.203 -1.989 -1.078 1.00 0.00 C ATOM 94 CG GLU A 5 -0.331 -3.132 -0.553 1.00 0.00 C ATOM 95 CD GLU A 5 0.412 -3.786 -1.719 1.00 0.00 C ATOM 96 OE1 GLU A 5 1.129 -3.080 -2.409 1.00 0.00 O ATOM 97 OE2 GLU A 5 0.252 -4.981 -1.903 1.00 0.00 O ATOM 0 H GLU A 5 -3.352 -3.596 -1.178 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.264 -1.546 0.778 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.459 -2.163 -2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.653 -1.049 -1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.382 -2.753 0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.950 -3.870 -0.043 1.00 0.00 H new ATOM 104 N VAL A 6 -3.545 0.292 -0.313 1.00 0.00 N ATOM 105 CA VAL A 6 -4.498 1.289 -0.890 1.00 0.00 C ATOM 106 C VAL A 6 -3.742 2.456 -1.530 1.00 0.00 C ATOM 107 O VAL A 6 -3.018 3.177 -0.872 1.00 0.00 O ATOM 108 CB VAL A 6 -5.333 1.785 0.290 1.00 0.00 C ATOM 109 CG1 VAL A 6 -6.621 2.425 -0.231 1.00 0.00 C ATOM 110 CG2 VAL A 6 -5.686 0.611 1.207 1.00 0.00 C ATOM 0 H VAL A 6 -3.009 0.613 0.493 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.116 0.846 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.758 2.521 0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.217 2.779 0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.373 3.265 -0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.192 1.687 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.281 0.971 2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.258 -0.129 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.770 0.154 1.581 1.00 0.00 H new ATOM 120 N ASN A 7 -3.913 2.654 -2.809 1.00 0.00 N ATOM 121 CA ASN A 7 -3.217 3.780 -3.492 1.00 0.00 C ATOM 122 C ASN A 7 -4.230 4.871 -3.849 1.00 0.00 C ATOM 123 O ASN A 7 -4.910 4.798 -4.853 1.00 0.00 O ATOM 124 CB ASN A 7 -2.616 3.162 -4.754 1.00 0.00 C ATOM 125 CG ASN A 7 -1.848 1.892 -4.384 1.00 0.00 C ATOM 126 OD1 ASN A 7 -2.401 0.982 -3.800 1.00 0.00 O ATOM 127 ND2 ASN A 7 -0.585 1.791 -4.700 1.00 0.00 N ATOM 0 H ASN A 7 -4.506 2.083 -3.411 1.00 0.00 H new ATOM 0 HA ASN A 7 -2.453 4.245 -2.869 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.405 2.927 -5.468 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -1.949 3.875 -5.239 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.064 0.949 -4.456 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.119 2.555 -5.191 1.00 0.00 H new ATOM 134 N ILE A 8 -4.344 5.878 -3.027 1.00 0.00 N ATOM 135 CA ILE A 8 -5.322 6.970 -3.306 1.00 0.00 C ATOM 136 C ILE A 8 -4.611 8.326 -3.360 1.00 0.00 C ATOM 137 O ILE A 8 -3.735 8.610 -2.568 1.00 0.00 O ATOM 138 CB ILE A 8 -6.308 6.926 -2.140 1.00 0.00 C ATOM 139 CG1 ILE A 8 -7.179 5.673 -2.259 1.00 0.00 C ATOM 140 CG2 ILE A 8 -7.197 8.169 -2.181 1.00 0.00 C ATOM 141 CD1 ILE A 8 -7.850 5.387 -0.915 1.00 0.00 C ATOM 0 H ILE A 8 -3.801 5.993 -2.171 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.820 6.839 -4.267 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.760 6.901 -1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.935 5.815 -3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.570 4.821 -2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.902 8.140 -1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.577 9.062 -2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.747 8.192 -3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.470 4.495 -1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.086 5.227 -0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.473 6.236 -0.631 1.00 0.00 H new ATOM 153 N VAL A 9 -4.981 9.163 -4.290 1.00 0.00 N ATOM 154 CA VAL A 9 -4.329 10.497 -4.398 1.00 0.00 C ATOM 155 C VAL A 9 -5.295 11.588 -3.928 1.00 0.00 C ATOM 156 O VAL A 9 -6.480 11.535 -4.190 1.00 0.00 O ATOM 157 CB VAL A 9 -4.012 10.658 -5.886 1.00 0.00 C ATOM 158 CG1 VAL A 9 -3.390 9.367 -6.421 1.00 0.00 C ATOM 159 CG2 VAL A 9 -5.303 10.957 -6.654 1.00 0.00 C ATOM 0 H VAL A 9 -5.709 8.979 -4.981 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.434 10.578 -3.782 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.310 11.481 -6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.165 9.484 -7.481 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.470 9.153 -5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.091 8.543 -6.287 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.077 11.072 -7.714 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.005 10.134 -6.519 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.746 11.878 -6.276 1.00 0.00 H new ATOM 169 N LEU A 10 -4.800 12.571 -3.226 1.00 0.00 N ATOM 170 CA LEU A 10 -5.697 13.655 -2.731 1.00 0.00 C ATOM 171 C LEU A 10 -5.241 15.017 -3.262 1.00 0.00 C ATOM 172 O LEU A 10 -4.116 15.184 -3.691 1.00 0.00 O ATOM 173 CB LEU A 10 -5.560 13.610 -1.209 1.00 0.00 C ATOM 174 CG LEU A 10 -6.387 12.453 -0.652 1.00 0.00 C ATOM 175 CD1 LEU A 10 -5.449 11.342 -0.176 1.00 0.00 C ATOM 176 CD2 LEU A 10 -7.229 12.953 0.525 1.00 0.00 C ATOM 0 H LEU A 10 -3.817 12.671 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.727 13.516 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.513 13.488 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.897 14.552 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.044 12.064 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.037 10.515 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.848 10.989 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.793 11.729 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.821 12.129 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.572 13.340 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.895 13.746 0.185 1.00 0.00 H new ATOM 188 N ASN A 11 -6.107 15.993 -3.229 1.00 0.00 N ATOM 189 CA ASN A 11 -5.725 17.347 -3.724 1.00 0.00 C ATOM 190 C ASN A 11 -5.607 18.325 -2.549 1.00 0.00 C ATOM 191 O ASN A 11 -6.447 18.345 -1.672 1.00 0.00 O ATOM 192 CB ASN A 11 -6.859 17.765 -4.658 1.00 0.00 C ATOM 193 CG ASN A 11 -6.417 18.972 -5.486 1.00 0.00 C ATOM 194 OD1 ASN A 11 -6.304 20.067 -4.971 1.00 0.00 O ATOM 195 ND2 ASN A 11 -6.160 18.818 -6.755 1.00 0.00 N ATOM 0 H ASN A 11 -7.062 15.912 -2.881 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.761 17.343 -4.233 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.127 16.938 -5.315 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.749 18.013 -4.079 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.864 19.617 -7.316 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.255 17.899 -7.187 1.00 0.00 H new ATOM 202 N PRO A 12 -4.560 19.105 -2.575 1.00 0.00 N ATOM 203 CA PRO A 12 -4.319 20.094 -1.502 1.00 0.00 C ATOM 204 C PRO A 12 -5.141 21.359 -1.747 1.00 0.00 C ATOM 205 O PRO A 12 -4.636 22.464 -1.684 1.00 0.00 O ATOM 206 CB PRO A 12 -2.828 20.388 -1.619 1.00 0.00 C ATOM 207 CG PRO A 12 -2.471 20.083 -3.043 1.00 0.00 C ATOM 208 CD PRO A 12 -3.512 19.136 -3.594 1.00 0.00 C ATOM 0 HA PRO A 12 -4.604 19.733 -0.514 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.613 21.428 -1.374 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.251 19.772 -0.929 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.440 20.999 -3.632 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.480 19.634 -3.099 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.900 19.486 -4.551 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.095 18.143 -3.764 1.00 0.00 H new ATOM 216 N ASN A 13 -6.401 21.205 -2.026 1.00 0.00 N ATOM 217 CA ASN A 13 -7.261 22.401 -2.276 1.00 0.00 C ATOM 218 C ASN A 13 -7.766 22.986 -0.953 1.00 0.00 C ATOM 219 O ASN A 13 -8.424 24.007 -0.929 1.00 0.00 O ATOM 220 CB ASN A 13 -8.432 21.887 -3.113 1.00 0.00 C ATOM 221 CG ASN A 13 -9.174 23.075 -3.729 1.00 0.00 C ATOM 222 OD1 ASN A 13 -10.258 23.418 -3.300 1.00 0.00 O ATOM 223 ND2 ASN A 13 -8.633 23.724 -4.724 1.00 0.00 N ATOM 0 H ASN A 13 -6.877 20.305 -2.093 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.714 23.195 -2.784 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.069 21.224 -3.898 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.110 21.303 -2.491 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.120 24.518 -5.140 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.723 23.437 -5.085 1.00 0.00 H new ATOM 230 N LEU A 14 -7.465 22.352 0.146 1.00 0.00 N ATOM 231 CA LEU A 14 -7.930 22.879 1.463 1.00 0.00 C ATOM 232 C LEU A 14 -6.749 23.452 2.247 1.00 0.00 C ATOM 233 O LEU A 14 -5.602 23.214 1.926 1.00 0.00 O ATOM 234 CB LEU A 14 -8.540 21.678 2.187 1.00 0.00 C ATOM 235 CG LEU A 14 -7.446 20.676 2.552 1.00 0.00 C ATOM 236 CD1 LEU A 14 -7.838 19.963 3.843 1.00 0.00 C ATOM 237 CD2 LEU A 14 -7.295 19.651 1.426 1.00 0.00 C ATOM 0 H LEU A 14 -6.918 21.492 0.191 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.654 23.686 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.056 22.010 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.285 21.200 1.551 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.499 21.197 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.063 19.245 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.949 20.695 4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.783 19.439 3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.514 18.936 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.238 19.123 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.025 20.162 0.502 1.00 0.00 H new ATOM 249 N ASP A 15 -7.021 24.213 3.270 1.00 0.00 N ATOM 250 CA ASP A 15 -5.915 24.809 4.071 1.00 0.00 C ATOM 251 C ASP A 15 -5.593 23.927 5.279 1.00 0.00 C ATOM 252 O ASP A 15 -6.083 22.823 5.403 1.00 0.00 O ATOM 253 CB ASP A 15 -6.441 26.172 4.521 1.00 0.00 C ATOM 254 CG ASP A 15 -7.609 25.977 5.489 1.00 0.00 C ATOM 255 OD1 ASP A 15 -7.351 25.797 6.668 1.00 0.00 O ATOM 256 OD2 ASP A 15 -8.741 26.011 5.036 1.00 0.00 O ATOM 0 H ASP A 15 -7.962 24.448 3.586 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.993 24.898 3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.645 26.739 5.005 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.765 26.752 3.657 1.00 0.00 H new ATOM 261 N GLN A 16 -4.774 24.411 6.172 1.00 0.00 N ATOM 262 CA GLN A 16 -4.418 23.606 7.374 1.00 0.00 C ATOM 263 C GLN A 16 -5.644 23.433 8.278 1.00 0.00 C ATOM 264 O GLN A 16 -5.951 22.344 8.718 1.00 0.00 O ATOM 265 CB GLN A 16 -3.333 24.417 8.086 1.00 0.00 C ATOM 266 CG GLN A 16 -2.825 23.640 9.300 1.00 0.00 C ATOM 267 CD GLN A 16 -1.318 23.861 9.453 1.00 0.00 C ATOM 268 OE1 GLN A 16 -0.583 22.936 9.731 1.00 0.00 O ATOM 269 NE2 GLN A 16 -0.825 25.058 9.280 1.00 0.00 N ATOM 0 H GLN A 16 -4.336 25.331 6.121 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.073 22.605 7.115 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.509 24.621 7.402 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.733 25.381 8.400 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.345 23.969 10.200 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.037 22.578 9.180 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.443 25.835 9.046 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.178 25.216 9.378 1.00 0.00 H new ATOM 278 N SER A 17 -6.344 24.499 8.558 1.00 0.00 N ATOM 279 CA SER A 17 -7.542 24.390 9.431 1.00 0.00 C ATOM 280 C SER A 17 -8.553 23.414 8.826 1.00 0.00 C ATOM 281 O SER A 17 -9.089 22.561 9.506 1.00 0.00 O ATOM 282 CB SER A 17 -8.127 25.801 9.485 1.00 0.00 C ATOM 283 OG SER A 17 -7.993 26.315 10.805 1.00 0.00 O ATOM 0 H SER A 17 -6.136 25.438 8.219 1.00 0.00 H new ATOM 0 HA SER A 17 -7.293 24.014 10.424 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.611 26.448 8.776 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.177 25.783 9.194 1.00 0.00 H new ATOM 0 HG SER A 17 -8.366 27.221 10.843 1.00 0.00 H new ATOM 289 N GLN A 18 -8.814 23.526 7.553 1.00 0.00 N ATOM 290 CA GLN A 18 -9.785 22.598 6.913 1.00 0.00 C ATOM 291 C GLN A 18 -9.266 21.163 7.007 1.00 0.00 C ATOM 292 O GLN A 18 -9.988 20.248 7.348 1.00 0.00 O ATOM 293 CB GLN A 18 -9.859 23.046 5.452 1.00 0.00 C ATOM 294 CG GLN A 18 -10.750 24.285 5.339 1.00 0.00 C ATOM 295 CD GLN A 18 -12.220 23.867 5.408 1.00 0.00 C ATOM 296 OE1 GLN A 18 -12.963 24.349 6.239 1.00 0.00 O ATOM 297 NE2 GLN A 18 -12.673 22.983 4.561 1.00 0.00 N ATOM 0 H GLN A 18 -8.398 24.218 6.930 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.763 22.621 7.393 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.860 23.269 5.079 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.258 22.241 4.834 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.522 24.984 6.144 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.552 24.803 4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.049 22.578 3.863 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.651 22.697 4.597 1.00 0.00 H new ATOM 306 N LEU A 19 -8.014 20.965 6.700 1.00 0.00 N ATOM 307 CA LEU A 19 -7.433 19.591 6.762 1.00 0.00 C ATOM 308 C LEU A 19 -7.648 18.966 8.146 1.00 0.00 C ATOM 309 O LEU A 19 -7.891 17.782 8.268 1.00 0.00 O ATOM 310 CB LEU A 19 -5.938 19.782 6.499 1.00 0.00 C ATOM 311 CG LEU A 19 -5.220 18.441 6.658 1.00 0.00 C ATOM 312 CD1 LEU A 19 -4.354 18.174 5.425 1.00 0.00 C ATOM 313 CD2 LEU A 19 -4.330 18.481 7.904 1.00 0.00 C ATOM 0 H LEU A 19 -7.365 21.696 6.408 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.902 18.923 6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.781 20.174 5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.525 20.513 7.194 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.959 17.647 6.763 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.843 17.218 5.539 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.985 18.144 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.616 18.970 5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.819 17.525 8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.593 19.277 7.799 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.945 18.670 8.784 1.00 0.00 H new ATOM 325 N ALA A 20 -7.544 19.743 9.189 1.00 0.00 N ATOM 326 CA ALA A 20 -7.725 19.183 10.553 1.00 0.00 C ATOM 327 C ALA A 20 -9.148 18.644 10.742 1.00 0.00 C ATOM 328 O ALA A 20 -9.360 17.645 11.400 1.00 0.00 O ATOM 329 CB ALA A 20 -7.471 20.356 11.498 1.00 0.00 C ATOM 0 H ALA A 20 -7.341 20.742 9.153 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.051 18.347 10.739 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.586 20.024 12.530 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.459 20.731 11.348 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.187 21.151 11.291 1.00 0.00 H new ATOM 335 N LEU A 21 -10.124 19.309 10.188 1.00 0.00 N ATOM 336 CA LEU A 21 -11.529 18.849 10.357 1.00 0.00 C ATOM 337 C LEU A 21 -11.782 17.535 9.597 1.00 0.00 C ATOM 338 O LEU A 21 -12.466 16.656 10.081 1.00 0.00 O ATOM 339 CB LEU A 21 -12.394 20.008 9.822 1.00 0.00 C ATOM 340 CG LEU A 21 -12.890 19.726 8.398 1.00 0.00 C ATOM 341 CD1 LEU A 21 -14.044 18.722 8.448 1.00 0.00 C ATOM 342 CD2 LEU A 21 -13.382 21.030 7.766 1.00 0.00 C ATOM 0 H LEU A 21 -10.008 20.152 9.625 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.767 18.624 11.396 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.248 20.162 10.482 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.814 20.931 9.831 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.074 19.314 7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.396 18.522 7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.699 17.793 8.902 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.860 19.135 9.041 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.735 20.833 6.754 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -14.198 21.438 8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -12.563 21.749 7.731 1.00 0.00 H new ATOM 354 N GLU A 22 -11.247 17.396 8.415 1.00 0.00 N ATOM 355 CA GLU A 22 -11.478 16.139 7.640 1.00 0.00 C ATOM 356 C GLU A 22 -10.800 14.955 8.334 1.00 0.00 C ATOM 357 O GLU A 22 -11.189 13.817 8.164 1.00 0.00 O ATOM 358 CB GLU A 22 -10.844 16.392 6.272 1.00 0.00 C ATOM 359 CG GLU A 22 -9.362 16.726 6.450 1.00 0.00 C ATOM 360 CD GLU A 22 -8.578 16.230 5.233 1.00 0.00 C ATOM 361 OE1 GLU A 22 -8.335 15.037 5.156 1.00 0.00 O ATOM 362 OE2 GLU A 22 -8.233 17.053 4.401 1.00 0.00 O ATOM 0 H GLU A 22 -10.663 18.093 7.953 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.537 15.895 7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.956 15.512 5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.355 17.213 5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.232 17.802 6.566 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.979 16.259 7.358 1.00 0.00 H new ATOM 369 N LYS A 23 -9.787 15.214 9.114 1.00 0.00 N ATOM 370 CA LYS A 23 -9.080 14.105 9.816 1.00 0.00 C ATOM 371 C LYS A 23 -9.986 13.477 10.880 1.00 0.00 C ATOM 372 O LYS A 23 -9.940 12.288 11.124 1.00 0.00 O ATOM 373 CB LYS A 23 -7.871 14.767 10.473 1.00 0.00 C ATOM 374 CG LYS A 23 -6.586 14.168 9.899 1.00 0.00 C ATOM 375 CD LYS A 23 -6.195 14.926 8.629 1.00 0.00 C ATOM 376 CE LYS A 23 -6.251 13.977 7.431 1.00 0.00 C ATOM 377 NZ LYS A 23 -5.456 14.650 6.366 1.00 0.00 N ATOM 0 H LYS A 23 -9.417 16.147 9.296 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.794 13.304 9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.893 15.843 10.299 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.904 14.618 11.552 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.783 14.229 10.634 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.733 13.112 9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.870 15.767 8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.191 15.338 8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.831 13.002 7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.279 13.809 7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.435 14.050 5.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.893 15.565 6.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.485 14.806 6.704 1.00 0.00 H new ATOM 391 N GLU A 24 -10.798 14.270 11.522 1.00 0.00 N ATOM 392 CA GLU A 24 -11.699 13.722 12.579 1.00 0.00 C ATOM 393 C GLU A 24 -12.679 12.708 11.983 1.00 0.00 C ATOM 394 O GLU A 24 -12.696 11.553 12.360 1.00 0.00 O ATOM 395 CB GLU A 24 -12.451 14.936 13.126 1.00 0.00 C ATOM 396 CG GLU A 24 -12.935 14.636 14.546 1.00 0.00 C ATOM 397 CD GLU A 24 -11.757 14.730 15.517 1.00 0.00 C ATOM 398 OE1 GLU A 24 -10.826 15.460 15.219 1.00 0.00 O ATOM 399 OE2 GLU A 24 -11.804 14.070 16.542 1.00 0.00 O ATOM 0 H GLU A 24 -10.878 15.274 11.362 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.143 13.198 13.357 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.800 15.810 13.129 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.299 15.172 12.483 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.714 15.342 14.833 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.376 13.640 14.588 1.00 0.00 H new ATOM 406 N ILE A 25 -13.502 13.130 11.064 1.00 0.00 N ATOM 407 CA ILE A 25 -14.484 12.192 10.456 1.00 0.00 C ATOM 408 C ILE A 25 -13.761 11.079 9.693 1.00 0.00 C ATOM 409 O ILE A 25 -14.155 9.931 9.735 1.00 0.00 O ATOM 410 CB ILE A 25 -15.309 13.055 9.504 1.00 0.00 C ATOM 411 CG1 ILE A 25 -16.146 14.047 10.313 1.00 0.00 C ATOM 412 CG2 ILE A 25 -16.234 12.163 8.679 1.00 0.00 C ATOM 413 CD1 ILE A 25 -16.927 13.297 11.394 1.00 0.00 C ATOM 0 H ILE A 25 -13.536 14.085 10.708 1.00 0.00 H new ATOM 0 HA ILE A 25 -15.105 11.700 11.205 1.00 0.00 H new ATOM 0 HB ILE A 25 -14.641 13.601 8.837 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -15.499 14.796 10.771 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -16.834 14.579 9.656 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -16.823 12.779 8.000 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -15.638 11.455 8.103 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -16.902 11.617 9.345 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -17.523 14.005 11.970 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -17.585 12.565 10.926 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -16.230 12.786 12.058 1.00 0.00 H new ATOM 425 N ILE A 26 -12.708 11.407 8.997 1.00 0.00 N ATOM 426 CA ILE A 26 -11.969 10.359 8.238 1.00 0.00 C ATOM 427 C ILE A 26 -11.479 9.266 9.190 1.00 0.00 C ATOM 428 O ILE A 26 -11.453 8.102 8.850 1.00 0.00 O ATOM 429 CB ILE A 26 -10.785 11.083 7.598 1.00 0.00 C ATOM 430 CG1 ILE A 26 -11.274 11.888 6.394 1.00 0.00 C ATOM 431 CG2 ILE A 26 -9.745 10.060 7.136 1.00 0.00 C ATOM 432 CD1 ILE A 26 -10.109 12.688 5.811 1.00 0.00 C ATOM 0 H ILE A 26 -12.328 12.351 8.921 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.597 9.874 7.491 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.333 11.754 8.329 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.685 11.219 5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.077 12.561 6.694 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.902 10.579 6.680 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.396 9.484 7.993 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.195 9.388 6.406 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.456 13.263 4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.719 13.368 6.569 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.320 12.005 5.496 1.00 0.00 H new ATOM 444 N GLN A 27 -11.095 9.629 10.382 1.00 0.00 N ATOM 445 CA GLN A 27 -10.610 8.603 11.347 1.00 0.00 C ATOM 446 C GLN A 27 -11.673 7.517 11.538 1.00 0.00 C ATOM 447 O GLN A 27 -11.369 6.342 11.606 1.00 0.00 O ATOM 448 CB GLN A 27 -10.376 9.365 12.652 1.00 0.00 C ATOM 449 CG GLN A 27 -8.886 9.328 13.000 1.00 0.00 C ATOM 450 CD GLN A 27 -8.556 10.476 13.955 1.00 0.00 C ATOM 451 OE1 GLN A 27 -9.142 10.588 15.013 1.00 0.00 O ATOM 452 NE2 GLN A 27 -7.636 11.340 13.625 1.00 0.00 N ATOM 0 H GLN A 27 -11.096 10.588 10.729 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.705 8.104 11.002 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.711 10.397 12.549 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.960 8.919 13.457 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.633 8.373 13.461 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.288 9.412 12.093 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.144 11.246 12.737 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.409 12.109 14.255 1.00 0.00 H new ATOM 461 N ARG A 28 -12.919 7.900 11.620 1.00 0.00 N ATOM 462 CA ARG A 28 -14.000 6.888 11.800 1.00 0.00 C ATOM 463 C ARG A 28 -14.214 6.106 10.500 1.00 0.00 C ATOM 464 O ARG A 28 -14.529 4.932 10.515 1.00 0.00 O ATOM 465 CB ARG A 28 -15.251 7.699 12.148 1.00 0.00 C ATOM 466 CG ARG A 28 -15.259 8.014 13.645 1.00 0.00 C ATOM 467 CD ARG A 28 -16.158 7.012 14.376 1.00 0.00 C ATOM 468 NE ARG A 28 -17.538 7.548 14.218 1.00 0.00 N ATOM 469 CZ ARG A 28 -18.219 7.917 15.268 1.00 0.00 C ATOM 470 NH1 ARG A 28 -18.647 7.022 16.117 1.00 0.00 N ATOM 471 NH2 ARG A 28 -18.476 9.180 15.469 1.00 0.00 N ATOM 0 H ARG A 28 -13.235 8.869 11.570 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.758 6.160 12.574 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -15.269 8.624 11.571 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -16.146 7.138 11.879 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.245 7.966 14.042 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -15.619 9.029 13.811 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.070 6.015 13.945 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.884 6.930 15.428 1.00 0.00 H new ATOM 0 HE ARG A 28 -17.951 7.627 13.289 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -18.449 6.034 15.960 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -19.179 7.311 16.938 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.145 9.880 14.805 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.008 9.468 16.290 1.00 0.00 H new ATOM 485 N ALA A 29 -14.057 6.751 9.375 1.00 0.00 N ATOM 486 CA ALA A 29 -14.261 6.054 8.077 1.00 0.00 C ATOM 487 C ALA A 29 -13.268 4.903 7.921 1.00 0.00 C ATOM 488 O ALA A 29 -13.561 3.904 7.297 1.00 0.00 O ATOM 489 CB ALA A 29 -14.021 7.119 7.009 1.00 0.00 C ATOM 0 H ALA A 29 -13.795 7.734 9.301 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.257 5.618 8.002 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.154 6.679 6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.732 7.934 7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.006 7.505 7.101 1.00 0.00 H new ATOM 495 N LEU A 30 -12.101 5.022 8.490 1.00 0.00 N ATOM 496 CA LEU A 30 -11.120 3.907 8.365 1.00 0.00 C ATOM 497 C LEU A 30 -11.806 2.645 8.843 1.00 0.00 C ATOM 498 O LEU A 30 -11.666 1.577 8.283 1.00 0.00 O ATOM 499 CB LEU A 30 -9.948 4.262 9.293 1.00 0.00 C ATOM 500 CG LEU A 30 -9.596 5.750 9.171 1.00 0.00 C ATOM 501 CD1 LEU A 30 -8.128 5.958 9.545 1.00 0.00 C ATOM 502 CD2 LEU A 30 -9.827 6.217 7.734 1.00 0.00 C ATOM 0 H LEU A 30 -11.787 5.829 9.028 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.766 3.759 7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.210 4.028 10.325 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.079 3.655 9.039 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.229 6.328 9.844 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.877 7.015 9.459 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.964 5.629 10.571 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.496 5.379 8.872 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.576 7.274 7.650 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.196 5.640 7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.874 6.070 7.468 1.00 0.00 H new ATOM 514 N GLU A 31 -12.573 2.788 9.876 1.00 0.00 N ATOM 515 CA GLU A 31 -13.318 1.632 10.422 1.00 0.00 C ATOM 516 C GLU A 31 -14.408 1.214 9.435 1.00 0.00 C ATOM 517 O GLU A 31 -14.679 0.042 9.259 1.00 0.00 O ATOM 518 CB GLU A 31 -13.927 2.121 11.737 1.00 0.00 C ATOM 519 CG GLU A 31 -12.854 2.128 12.828 1.00 0.00 C ATOM 520 CD GLU A 31 -12.732 0.728 13.432 1.00 0.00 C ATOM 521 OE1 GLU A 31 -13.759 0.147 13.742 1.00 0.00 O ATOM 522 OE2 GLU A 31 -11.614 0.261 13.575 1.00 0.00 O ATOM 0 H GLU A 31 -12.718 3.667 10.372 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.680 0.763 10.585 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.337 3.123 11.609 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.754 1.473 12.030 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.897 2.440 12.410 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -13.113 2.849 13.603 1.00 0.00 H new ATOM 529 N ASN A 32 -15.029 2.159 8.771 1.00 0.00 N ATOM 530 CA ASN A 32 -16.078 1.789 7.792 1.00 0.00 C ATOM 531 C ASN A 32 -15.471 0.803 6.801 1.00 0.00 C ATOM 532 O ASN A 32 -16.108 -0.131 6.355 1.00 0.00 O ATOM 533 CB ASN A 32 -16.459 3.098 7.101 1.00 0.00 C ATOM 534 CG ASN A 32 -17.836 2.952 6.450 1.00 0.00 C ATOM 535 OD1 ASN A 32 -18.131 1.941 5.845 1.00 0.00 O ATOM 536 ND2 ASN A 32 -18.699 3.926 6.550 1.00 0.00 N ATOM 0 H ASN A 32 -14.852 3.159 8.868 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.953 1.320 8.243 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -16.472 3.913 7.825 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -15.714 3.353 6.347 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -19.620 3.838 6.120 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.453 4.776 7.058 1.00 0.00 H new ATOM 543 N TYR A 33 -14.223 1.002 6.482 1.00 0.00 N ATOM 544 CA TYR A 33 -13.521 0.099 5.562 1.00 0.00 C ATOM 545 C TYR A 33 -13.357 -1.275 6.220 1.00 0.00 C ATOM 546 O TYR A 33 -12.929 -2.228 5.598 1.00 0.00 O ATOM 547 CB TYR A 33 -12.167 0.779 5.391 1.00 0.00 C ATOM 548 CG TYR A 33 -11.799 0.840 3.935 1.00 0.00 C ATOM 549 CD1 TYR A 33 -12.296 1.879 3.145 1.00 0.00 C ATOM 550 CD2 TYR A 33 -10.962 -0.131 3.374 1.00 0.00 C ATOM 551 CE1 TYR A 33 -11.961 1.951 1.792 1.00 0.00 C ATOM 552 CE2 TYR A 33 -10.625 -0.061 2.019 1.00 0.00 C ATOM 553 CZ TYR A 33 -11.124 0.981 1.227 1.00 0.00 C ATOM 554 OH TYR A 33 -10.792 1.051 -0.112 1.00 0.00 O ATOM 0 H TYR A 33 -13.657 1.774 6.835 1.00 0.00 H new ATOM 0 HA TYR A 33 -14.038 -0.066 4.617 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -12.202 1.786 5.808 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -11.404 0.231 5.944 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -12.940 2.628 3.582 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.577 -0.933 3.987 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.347 2.754 1.182 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -9.980 -0.810 1.583 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.203 0.302 -0.343 1.00 0.00 H new ATOM 564 N GLY A 34 -13.687 -1.378 7.484 1.00 0.00 N ATOM 565 CA GLY A 34 -13.543 -2.677 8.192 1.00 0.00 C ATOM 566 C GLY A 34 -12.175 -3.268 7.867 1.00 0.00 C ATOM 567 O GLY A 34 -12.040 -4.450 7.615 1.00 0.00 O ATOM 0 H GLY A 34 -14.050 -0.613 8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.646 -2.533 9.268 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.333 -3.363 7.885 1.00 0.00 H new ATOM 571 N ALA A 35 -11.158 -2.452 7.856 1.00 0.00 N ATOM 572 CA ALA A 35 -9.795 -2.965 7.532 1.00 0.00 C ATOM 573 C ALA A 35 -8.870 -2.873 8.747 1.00 0.00 C ATOM 574 O ALA A 35 -8.916 -1.926 9.507 1.00 0.00 O ATOM 575 CB ALA A 35 -9.292 -2.058 6.409 1.00 0.00 C ATOM 0 H ALA A 35 -11.210 -1.453 8.057 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.816 -4.015 7.241 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.291 -2.369 6.111 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.964 -2.131 5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.262 -1.027 6.760 1.00 0.00 H new ATOM 581 N ARG A 36 -8.013 -3.842 8.922 1.00 0.00 N ATOM 582 CA ARG A 36 -7.066 -3.806 10.071 1.00 0.00 C ATOM 583 C ARG A 36 -5.719 -3.272 9.588 1.00 0.00 C ATOM 584 O ARG A 36 -5.258 -3.601 8.514 1.00 0.00 O ATOM 585 CB ARG A 36 -6.912 -5.248 10.550 1.00 0.00 C ATOM 586 CG ARG A 36 -8.210 -6.032 10.326 1.00 0.00 C ATOM 587 CD ARG A 36 -8.201 -7.292 11.194 1.00 0.00 C ATOM 588 NE ARG A 36 -9.414 -7.180 12.049 1.00 0.00 N ATOM 589 CZ ARG A 36 -9.818 -8.210 12.741 1.00 0.00 C ATOM 590 NH1 ARG A 36 -9.991 -9.362 12.155 1.00 0.00 N ATOM 591 NH2 ARG A 36 -10.047 -8.089 14.021 1.00 0.00 N ATOM 0 H ARG A 36 -7.928 -4.659 8.317 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.426 -3.164 10.875 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.093 -5.729 10.015 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.652 -5.260 11.608 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.070 -5.411 10.576 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.307 -6.302 9.275 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.232 -8.193 10.582 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.296 -7.348 11.799 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.928 -6.300 12.094 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.811 -9.458 11.156 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.307 -10.167 12.696 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.910 -7.189 14.481 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.363 -8.895 14.561 1.00 0.00 H new ATOM 605 N VAL A 37 -5.091 -2.445 10.365 1.00 0.00 N ATOM 606 CA VAL A 37 -3.777 -1.881 9.944 1.00 0.00 C ATOM 607 C VAL A 37 -2.627 -2.764 10.438 1.00 0.00 C ATOM 608 O VAL A 37 -2.440 -2.951 11.623 1.00 0.00 O ATOM 609 CB VAL A 37 -3.710 -0.500 10.595 1.00 0.00 C ATOM 610 CG1 VAL A 37 -2.338 0.121 10.329 1.00 0.00 C ATOM 611 CG2 VAL A 37 -4.800 0.396 10.001 1.00 0.00 C ATOM 0 H VAL A 37 -5.427 -2.132 11.276 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.686 -1.827 8.859 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.864 -0.595 11.670 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.288 1.106 10.793 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.562 -0.518 10.750 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.185 0.218 9.254 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.753 1.381 10.464 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.646 0.493 8.926 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.778 -0.047 10.189 1.00 0.00 H new ATOM 621 N GLU A 38 -1.853 -3.304 9.535 1.00 0.00 N ATOM 622 CA GLU A 38 -0.710 -4.169 9.952 1.00 0.00 C ATOM 623 C GLU A 38 0.615 -3.509 9.561 1.00 0.00 C ATOM 624 O GLU A 38 1.659 -3.818 10.101 1.00 0.00 O ATOM 625 CB GLU A 38 -0.904 -5.478 9.189 1.00 0.00 C ATOM 626 CG GLU A 38 -1.086 -6.626 10.183 1.00 0.00 C ATOM 627 CD GLU A 38 0.187 -6.789 11.014 1.00 0.00 C ATOM 628 OE1 GLU A 38 1.117 -6.031 10.792 1.00 0.00 O ATOM 629 OE2 GLU A 38 0.211 -7.669 11.859 1.00 0.00 O ATOM 0 H GLU A 38 -1.962 -3.184 8.528 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.682 -4.329 11.030 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.775 -5.406 8.537 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.042 -5.670 8.550 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.935 -6.425 10.836 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.306 -7.551 9.650 1.00 0.00 H new ATOM 636 N LYS A 39 0.575 -2.598 8.630 1.00 0.00 N ATOM 637 CA LYS A 39 1.823 -1.905 8.199 1.00 0.00 C ATOM 638 C LYS A 39 1.461 -0.578 7.527 1.00 0.00 C ATOM 639 O LYS A 39 0.541 -0.504 6.738 1.00 0.00 O ATOM 640 CB LYS A 39 2.486 -2.856 7.202 1.00 0.00 C ATOM 641 CG LYS A 39 3.721 -3.491 7.848 1.00 0.00 C ATOM 642 CD LYS A 39 3.374 -4.898 8.338 1.00 0.00 C ATOM 643 CE LYS A 39 4.069 -5.160 9.676 1.00 0.00 C ATOM 644 NZ LYS A 39 3.965 -6.633 9.880 1.00 0.00 N ATOM 0 H LYS A 39 -0.272 -2.301 8.146 1.00 0.00 H new ATOM 0 HA LYS A 39 2.488 -1.677 9.032 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.782 -3.631 6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.772 -2.314 6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.538 -3.536 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.064 -2.878 8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.295 -4.999 8.451 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.688 -5.638 7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.110 -4.837 9.651 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.586 -4.614 10.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.648 -6.932 10.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.002 -6.873 10.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.172 -7.123 8.986 1.00 0.00 H new ATOM 658 N VAL A 40 2.164 0.475 7.842 1.00 0.00 N ATOM 659 CA VAL A 40 1.835 1.792 7.227 1.00 0.00 C ATOM 660 C VAL A 40 3.099 2.487 6.710 1.00 0.00 C ATOM 661 O VAL A 40 3.999 2.800 7.463 1.00 0.00 O ATOM 662 CB VAL A 40 1.205 2.603 8.360 1.00 0.00 C ATOM 663 CG1 VAL A 40 2.240 2.822 9.464 1.00 0.00 C ATOM 664 CG2 VAL A 40 0.742 3.957 7.821 1.00 0.00 C ATOM 0 H VAL A 40 2.948 0.481 8.495 1.00 0.00 H new ATOM 0 HA VAL A 40 1.170 1.687 6.370 1.00 0.00 H new ATOM 0 HB VAL A 40 0.350 2.061 8.764 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.793 3.400 10.273 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.572 1.857 9.848 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.094 3.365 9.059 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.293 4.536 8.628 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.597 4.500 7.418 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.006 3.802 7.032 1.00 0.00 H new ATOM 674 N GLU A 41 3.160 2.748 5.432 1.00 0.00 N ATOM 675 CA GLU A 41 4.351 3.442 4.865 1.00 0.00 C ATOM 676 C GLU A 41 4.244 4.940 5.152 1.00 0.00 C ATOM 677 O GLU A 41 3.176 5.515 5.075 1.00 0.00 O ATOM 678 CB GLU A 41 4.294 3.174 3.361 1.00 0.00 C ATOM 679 CG GLU A 41 5.175 1.971 3.022 1.00 0.00 C ATOM 680 CD GLU A 41 6.647 2.380 3.083 1.00 0.00 C ATOM 681 OE1 GLU A 41 7.028 3.261 2.329 1.00 0.00 O ATOM 682 OE2 GLU A 41 7.369 1.808 3.883 1.00 0.00 O ATOM 0 H GLU A 41 2.435 2.510 4.755 1.00 0.00 H new ATOM 0 HA GLU A 41 5.289 3.091 5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.266 2.983 3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.633 4.052 2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.984 1.158 3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.932 1.598 2.027 1.00 0.00 H new ATOM 689 N GLU A 42 5.326 5.580 5.497 1.00 0.00 N ATOM 690 CA GLU A 42 5.242 7.037 5.800 1.00 0.00 C ATOM 691 C GLU A 42 5.199 7.841 4.501 1.00 0.00 C ATOM 692 O GLU A 42 6.144 7.871 3.738 1.00 0.00 O ATOM 693 CB GLU A 42 6.514 7.352 6.586 1.00 0.00 C ATOM 694 CG GLU A 42 7.739 7.133 5.694 1.00 0.00 C ATOM 695 CD GLU A 42 8.236 8.482 5.170 1.00 0.00 C ATOM 696 OE1 GLU A 42 7.659 9.490 5.543 1.00 0.00 O ATOM 697 OE2 GLU A 42 9.186 8.483 4.403 1.00 0.00 O ATOM 0 H GLU A 42 6.254 5.165 5.582 1.00 0.00 H new ATOM 0 HA GLU A 42 4.344 7.293 6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.489 8.383 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.576 6.714 7.468 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.529 6.637 6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.483 6.479 4.860 1.00 0.00 H new ATOM 704 N LEU A 43 4.096 8.492 4.250 1.00 0.00 N ATOM 705 CA LEU A 43 3.963 9.301 3.007 1.00 0.00 C ATOM 706 C LEU A 43 4.396 10.746 3.263 1.00 0.00 C ATOM 707 O LEU A 43 3.698 11.511 3.897 1.00 0.00 O ATOM 708 CB LEU A 43 2.477 9.233 2.647 1.00 0.00 C ATOM 709 CG LEU A 43 1.629 9.637 3.856 1.00 0.00 C ATOM 710 CD1 LEU A 43 0.505 10.569 3.400 1.00 0.00 C ATOM 711 CD2 LEU A 43 1.022 8.383 4.490 1.00 0.00 C ATOM 0 H LEU A 43 3.276 8.498 4.857 1.00 0.00 H new ATOM 0 HA LEU A 43 4.593 8.926 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.267 9.895 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.216 8.223 2.330 1.00 0.00 H new ATOM 0 HG LEU A 43 2.255 10.151 4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.100 10.858 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.934 11.460 2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.122 10.054 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.417 8.667 5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.395 7.873 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.821 7.715 4.812 1.00 0.00 H new ATOM 723 N GLY A 44 5.541 11.124 2.771 1.00 0.00 N ATOM 724 CA GLY A 44 6.016 12.520 2.982 1.00 0.00 C ATOM 725 C GLY A 44 6.112 13.234 1.634 1.00 0.00 C ATOM 726 O GLY A 44 7.157 13.277 1.016 1.00 0.00 O ATOM 0 H GLY A 44 6.169 10.528 2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.330 13.053 3.640 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.989 12.514 3.473 1.00 0.00 H new ATOM 955 N GLY A 58 2.036 15.756 -4.404 1.00 0.00 N ATOM 956 CA GLY A 58 1.312 14.460 -4.532 1.00 0.00 C ATOM 957 C GLY A 58 1.310 13.720 -3.192 1.00 0.00 C ATOM 958 O GLY A 58 2.327 13.589 -2.539 1.00 0.00 O ATOM 0 HA2 GLY A 58 0.287 14.638 -4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.787 13.844 -5.295 1.00 0.00 H new ATOM 962 N TYR A 59 0.171 13.227 -2.784 1.00 0.00 N ATOM 963 CA TYR A 59 0.091 12.481 -1.495 1.00 0.00 C ATOM 964 C TYR A 59 -0.116 10.990 -1.775 1.00 0.00 C ATOM 965 O TYR A 59 -1.133 10.586 -2.303 1.00 0.00 O ATOM 966 CB TYR A 59 -1.128 13.066 -0.778 1.00 0.00 C ATOM 967 CG TYR A 59 -0.676 14.000 0.320 1.00 0.00 C ATOM 968 CD1 TYR A 59 -0.305 13.486 1.568 1.00 0.00 C ATOM 969 CD2 TYR A 59 -0.635 15.381 0.092 1.00 0.00 C ATOM 970 CE1 TYR A 59 0.109 14.352 2.588 1.00 0.00 C ATOM 971 CE2 TYR A 59 -0.222 16.247 1.111 1.00 0.00 C ATOM 972 CZ TYR A 59 0.150 15.733 2.360 1.00 0.00 C ATOM 973 OH TYR A 59 0.557 16.586 3.366 1.00 0.00 O ATOM 0 H TYR A 59 -0.711 13.309 -3.290 1.00 0.00 H new ATOM 0 HA TYR A 59 0.998 12.575 -0.897 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.757 13.603 -1.489 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.735 12.263 -0.359 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.338 12.421 1.745 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.922 15.778 -0.870 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.397 13.955 3.550 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.190 17.312 0.934 1.00 0.00 H new ATOM 0 HH TYR A 59 0.529 17.511 3.042 1.00 0.00 H new ATOM 983 N PHE A 60 0.841 10.168 -1.437 1.00 0.00 N ATOM 984 CA PHE A 60 0.694 8.706 -1.698 1.00 0.00 C ATOM 985 C PHE A 60 0.710 7.917 -0.384 1.00 0.00 C ATOM 986 O PHE A 60 1.646 7.997 0.384 1.00 0.00 O ATOM 987 CB PHE A 60 1.904 8.339 -2.558 1.00 0.00 C ATOM 988 CG PHE A 60 1.439 7.656 -3.822 1.00 0.00 C ATOM 989 CD1 PHE A 60 1.036 6.316 -3.786 1.00 0.00 C ATOM 990 CD2 PHE A 60 1.413 8.363 -5.031 1.00 0.00 C ATOM 991 CE1 PHE A 60 0.605 5.683 -4.958 1.00 0.00 C ATOM 992 CE2 PHE A 60 0.983 7.730 -6.203 1.00 0.00 C ATOM 993 CZ PHE A 60 0.579 6.390 -6.167 1.00 0.00 C ATOM 0 H PHE A 60 1.716 10.444 -0.992 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.249 8.470 -2.190 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.472 9.236 -2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.572 7.681 -2.002 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.058 5.770 -2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.725 9.397 -5.059 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.293 4.650 -4.930 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.963 8.275 -7.135 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.247 5.901 -7.071 1.00 0.00 H new ATOM 1003 N LEU A 61 -0.315 7.150 -0.126 1.00 0.00 N ATOM 1004 CA LEU A 61 -0.354 6.350 1.135 1.00 0.00 C ATOM 1005 C LEU A 61 -0.405 4.852 0.808 1.00 0.00 C ATOM 1006 O LEU A 61 -1.200 4.412 0.003 1.00 0.00 O ATOM 1007 CB LEU A 61 -1.638 6.788 1.848 1.00 0.00 C ATOM 1008 CG LEU A 61 -2.776 6.912 0.831 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -4.108 6.586 1.510 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -2.817 8.343 0.291 1.00 0.00 C ATOM 0 H LEU A 61 -1.128 7.042 -0.733 1.00 0.00 H new ATOM 0 HA LEU A 61 0.529 6.512 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.903 6.064 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.480 7.743 2.349 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.608 6.215 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.917 6.675 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.079 5.568 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.278 7.283 2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.626 8.435 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.986 9.038 1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.868 8.577 -0.193 1.00 0.00 H new ATOM 1022 N TRP A 62 0.440 4.066 1.424 1.00 0.00 N ATOM 1023 CA TRP A 62 0.435 2.599 1.141 1.00 0.00 C ATOM 1024 C TRP A 62 0.516 1.806 2.449 1.00 0.00 C ATOM 1025 O TRP A 62 1.493 1.879 3.166 1.00 0.00 O ATOM 1026 CB TRP A 62 1.687 2.367 0.297 1.00 0.00 C ATOM 1027 CG TRP A 62 1.802 0.918 -0.048 1.00 0.00 C ATOM 1028 CD1 TRP A 62 1.350 0.352 -1.190 1.00 0.00 C ATOM 1029 CD2 TRP A 62 2.405 -0.157 0.731 1.00 0.00 C ATOM 1030 NE1 TRP A 62 1.635 -1.001 -1.162 1.00 0.00 N ATOM 1031 CE2 TRP A 62 2.283 -1.363 0.001 1.00 0.00 C ATOM 1032 CE3 TRP A 62 3.037 -0.202 1.986 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 2.773 -2.571 0.498 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 3.530 -1.417 2.490 1.00 0.00 C ATOM 1035 CH2 TRP A 62 3.399 -2.598 1.748 1.00 0.00 C ATOM 0 H TRP A 62 1.131 4.375 2.108 1.00 0.00 H new ATOM 0 HA TRP A 62 -0.473 2.275 0.632 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.639 2.965 -0.613 1.00 0.00 H new ATOM 0 HB3 TRP A 62 2.572 2.691 0.845 1.00 0.00 H new ATOM 0 HD1 TRP A 62 0.848 0.872 -1.993 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.395 -1.652 -1.910 1.00 0.00 H new ATOM 0 HE3 TRP A 62 3.144 0.703 2.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.670 -3.478 -0.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.013 -1.441 3.456 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.781 -3.528 2.141 1.00 0.00 H new ATOM 1046 N TYR A 63 -0.500 1.049 2.771 1.00 0.00 N ATOM 1047 CA TYR A 63 -0.460 0.266 4.032 1.00 0.00 C ATOM 1048 C TYR A 63 -1.008 -1.146 3.809 1.00 0.00 C ATOM 1049 O TYR A 63 -1.863 -1.365 2.974 1.00 0.00 O ATOM 1050 CB TYR A 63 -1.325 1.043 5.027 1.00 0.00 C ATOM 1051 CG TYR A 63 -2.545 1.626 4.354 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -2.420 2.718 3.485 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -3.806 1.087 4.621 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -3.558 3.265 2.882 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -4.945 1.632 4.016 1.00 0.00 C ATOM 1056 CZ TYR A 63 -4.821 2.722 3.147 1.00 0.00 C ATOM 1057 OH TYR A 63 -5.944 3.263 2.554 1.00 0.00 O ATOM 0 H TYR A 63 -1.349 0.942 2.216 1.00 0.00 H new ATOM 0 HA TYR A 63 0.558 0.145 4.401 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.634 0.382 5.837 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.737 1.844 5.476 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.446 3.137 3.281 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.902 0.249 5.295 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.462 4.106 2.212 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.919 1.211 4.220 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.726 4.143 2.182 1.00 0.00 H new ATOM 1067 N GLN A 64 -0.523 -2.107 4.550 1.00 0.00 N ATOM 1068 CA GLN A 64 -1.022 -3.502 4.377 1.00 0.00 C ATOM 1069 C GLN A 64 -2.194 -3.747 5.329 1.00 0.00 C ATOM 1070 O GLN A 64 -2.071 -3.622 6.532 1.00 0.00 O ATOM 1071 CB GLN A 64 0.162 -4.401 4.738 1.00 0.00 C ATOM 1072 CG GLN A 64 1.344 -4.077 3.823 1.00 0.00 C ATOM 1073 CD GLN A 64 2.232 -5.315 3.672 1.00 0.00 C ATOM 1074 OE1 GLN A 64 2.736 -5.588 2.600 1.00 0.00 O ATOM 1075 NE2 GLN A 64 2.448 -6.081 4.706 1.00 0.00 N ATOM 0 H GLN A 64 0.194 -1.987 5.265 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.377 -3.697 3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.443 -4.250 5.780 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.118 -5.449 4.632 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.983 -3.755 2.846 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.922 -3.251 4.238 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.026 -5.853 5.606 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.039 -6.907 4.614 1.00 0.00 H new ATOM 1084 N VAL A 65 -3.340 -4.065 4.793 1.00 0.00 N ATOM 1085 CA VAL A 65 -4.539 -4.283 5.647 1.00 0.00 C ATOM 1086 C VAL A 65 -5.136 -5.669 5.403 1.00 0.00 C ATOM 1087 O VAL A 65 -4.805 -6.336 4.449 1.00 0.00 O ATOM 1088 CB VAL A 65 -5.512 -3.198 5.191 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -4.762 -1.878 5.052 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -6.095 -3.571 3.829 1.00 0.00 C ATOM 0 H VAL A 65 -3.497 -4.184 3.792 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.310 -4.232 6.711 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.313 -3.103 5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.452 -1.100 4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.331 -1.601 6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.966 -1.988 4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.789 -2.795 3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.289 -3.663 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.624 -4.521 3.907 1.00 0.00 H new ATOM 1100 N GLU A 66 -6.023 -6.101 6.256 1.00 0.00 N ATOM 1101 CA GLU A 66 -6.647 -7.441 6.067 1.00 0.00 C ATOM 1102 C GLU A 66 -8.112 -7.287 5.648 1.00 0.00 C ATOM 1103 O GLU A 66 -9.008 -7.304 6.468 1.00 0.00 O ATOM 1104 CB GLU A 66 -6.546 -8.119 7.431 1.00 0.00 C ATOM 1105 CG GLU A 66 -6.837 -9.611 7.274 1.00 0.00 C ATOM 1106 CD GLU A 66 -7.976 -10.011 8.213 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -9.009 -9.364 8.167 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -7.797 -10.957 8.962 1.00 0.00 O ATOM 0 H GLU A 66 -6.343 -5.585 7.075 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.154 -8.021 5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.551 -7.973 7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.254 -7.670 8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.108 -9.833 6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.943 -10.192 7.501 1.00 0.00 H new ATOM 1115 N MET A 67 -8.361 -7.135 4.377 1.00 0.00 N ATOM 1116 CA MET A 67 -9.767 -6.977 3.906 1.00 0.00 C ATOM 1117 C MET A 67 -9.995 -7.782 2.623 1.00 0.00 C ATOM 1118 O MET A 67 -9.136 -7.844 1.766 1.00 0.00 O ATOM 1119 CB MET A 67 -9.927 -5.480 3.632 1.00 0.00 C ATOM 1120 CG MET A 67 -11.319 -5.210 3.058 1.00 0.00 C ATOM 1121 SD MET A 67 -11.266 -3.729 2.019 1.00 0.00 S ATOM 1122 CE MET A 67 -10.540 -4.502 0.552 1.00 0.00 C ATOM 0 H MET A 67 -7.652 -7.113 3.644 1.00 0.00 H new ATOM 0 HA MET A 67 -10.488 -7.340 4.639 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.786 -4.914 4.553 1.00 0.00 H new ATOM 0 HB3 MET A 67 -9.162 -5.144 2.932 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.655 -6.066 2.473 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.038 -5.075 3.866 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.688 -3.912 0.214 1.00 0.00 H new ATOM 0 HE2 MET A 67 -10.209 -5.511 0.799 1.00 0.00 H new ATOM 0 HE3 MET A 67 -11.286 -4.549 -0.241 1.00 0.00 H new ATOM 1132 N PRO A 68 -11.159 -8.364 2.535 1.00 0.00 N ATOM 1133 CA PRO A 68 -11.527 -9.170 1.342 1.00 0.00 C ATOM 1134 C PRO A 68 -11.668 -8.266 0.115 1.00 0.00 C ATOM 1135 O PRO A 68 -11.971 -7.095 0.225 1.00 0.00 O ATOM 1136 CB PRO A 68 -12.868 -9.790 1.731 1.00 0.00 C ATOM 1137 CG PRO A 68 -13.421 -8.868 2.768 1.00 0.00 C ATOM 1138 CD PRO A 68 -12.238 -8.329 3.526 1.00 0.00 C ATOM 0 HA PRO A 68 -10.782 -9.920 1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.534 -9.866 0.872 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -12.740 -10.798 2.125 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.989 -8.060 2.307 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.102 -9.396 3.435 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.419 -7.317 3.888 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.005 -8.942 4.397 1.00 0.00 H new ATOM 1146 N GLU A 69 -11.441 -8.800 -1.053 1.00 0.00 N ATOM 1147 CA GLU A 69 -11.549 -7.977 -2.286 1.00 0.00 C ATOM 1148 C GLU A 69 -13.019 -7.684 -2.611 1.00 0.00 C ATOM 1149 O GLU A 69 -13.330 -6.720 -3.280 1.00 0.00 O ATOM 1150 CB GLU A 69 -10.897 -8.841 -3.374 1.00 0.00 C ATOM 1151 CG GLU A 69 -11.482 -8.496 -4.743 1.00 0.00 C ATOM 1152 CD GLU A 69 -10.466 -8.832 -5.834 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -9.322 -9.087 -5.492 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -10.847 -8.830 -6.992 1.00 0.00 O ATOM 0 H GLU A 69 -11.184 -9.775 -1.205 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.065 -7.005 -2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.819 -8.679 -3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.060 -9.897 -3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.404 -9.054 -4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.738 -7.437 -4.784 1.00 0.00 H new ATOM 1161 N ASP A 70 -13.925 -8.504 -2.154 1.00 0.00 N ATOM 1162 CA ASP A 70 -15.365 -8.257 -2.457 1.00 0.00 C ATOM 1163 C ASP A 70 -15.814 -6.923 -1.854 1.00 0.00 C ATOM 1164 O ASP A 70 -16.592 -6.197 -2.440 1.00 0.00 O ATOM 1165 CB ASP A 70 -16.114 -9.419 -1.802 1.00 0.00 C ATOM 1166 CG ASP A 70 -15.970 -10.673 -2.665 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -14.927 -11.302 -2.591 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -16.905 -10.984 -3.386 1.00 0.00 O ATOM 0 H ASP A 70 -13.733 -9.330 -1.587 1.00 0.00 H new ATOM 0 HA ASP A 70 -15.556 -8.201 -3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.717 -9.604 -0.804 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.168 -9.165 -1.684 1.00 0.00 H new ATOM 1173 N ARG A 71 -15.331 -6.598 -0.688 1.00 0.00 N ATOM 1174 CA ARG A 71 -15.726 -5.320 -0.047 1.00 0.00 C ATOM 1175 C ARG A 71 -15.100 -4.138 -0.794 1.00 0.00 C ATOM 1176 O ARG A 71 -15.359 -2.992 -0.488 1.00 0.00 O ATOM 1177 CB ARG A 71 -15.180 -5.409 1.378 1.00 0.00 C ATOM 1178 CG ARG A 71 -16.318 -5.757 2.341 1.00 0.00 C ATOM 1179 CD ARG A 71 -17.057 -4.478 2.744 1.00 0.00 C ATOM 1180 NE ARG A 71 -16.859 -4.366 4.216 1.00 0.00 N ATOM 1181 CZ ARG A 71 -17.815 -4.717 5.033 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -19.057 -4.442 4.742 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -17.528 -5.345 6.141 1.00 0.00 N ATOM 0 H ARG A 71 -14.677 -7.167 -0.151 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.805 -5.165 -0.060 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.399 -6.167 1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.725 -4.461 1.664 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -17.009 -6.455 1.867 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.920 -6.254 3.226 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.654 -3.609 2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -18.116 -4.538 2.492 1.00 0.00 H new ATOM 0 HE ARG A 71 -15.976 -4.015 4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.281 -3.953 3.876 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -19.803 -4.717 5.381 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -16.557 -5.561 6.368 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -18.274 -5.619 6.780 1.00 0.00 H new ATOM 1197 N VAL A 72 -14.270 -4.407 -1.766 1.00 0.00 N ATOM 1198 CA VAL A 72 -13.626 -3.296 -2.521 1.00 0.00 C ATOM 1199 C VAL A 72 -14.681 -2.439 -3.221 1.00 0.00 C ATOM 1200 O VAL A 72 -14.637 -1.227 -3.172 1.00 0.00 O ATOM 1201 CB VAL A 72 -12.716 -3.983 -3.542 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -13.541 -4.522 -4.713 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -11.704 -2.969 -4.066 1.00 0.00 C ATOM 0 H VAL A 72 -14.011 -5.346 -2.069 1.00 0.00 H new ATOM 0 HA VAL A 72 -13.068 -2.626 -1.867 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.202 -4.815 -3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.880 -5.008 -5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.269 -5.244 -4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -14.063 -3.698 -5.200 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -11.051 -3.450 -4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -12.231 -2.142 -4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.106 -2.590 -3.237 1.00 0.00 H new ATOM 1213 N ASN A 73 -15.633 -3.052 -3.867 1.00 0.00 N ATOM 1214 CA ASN A 73 -16.685 -2.259 -4.562 1.00 0.00 C ATOM 1215 C ASN A 73 -17.443 -1.409 -3.544 1.00 0.00 C ATOM 1216 O ASN A 73 -17.753 -0.259 -3.783 1.00 0.00 O ATOM 1217 CB ASN A 73 -17.614 -3.294 -5.198 1.00 0.00 C ATOM 1218 CG ASN A 73 -18.741 -2.576 -5.945 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -18.501 -1.617 -6.652 1.00 0.00 O ATOM 1220 ND2 ASN A 73 -19.967 -3.002 -5.817 1.00 0.00 N ATOM 0 H ASN A 73 -15.728 -4.065 -3.944 1.00 0.00 H new ATOM 0 HA ASN A 73 -16.272 -1.580 -5.308 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -17.054 -3.928 -5.885 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -18.030 -3.946 -4.430 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -20.725 -2.530 -6.310 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -20.168 -3.807 -5.224 1.00 0.00 H new ATOM 1227 N ASP A 74 -17.744 -1.970 -2.407 1.00 0.00 N ATOM 1228 CA ASP A 74 -18.479 -1.209 -1.369 1.00 0.00 C ATOM 1229 C ASP A 74 -17.599 -0.089 -0.811 1.00 0.00 C ATOM 1230 O ASP A 74 -17.993 1.058 -0.747 1.00 0.00 O ATOM 1231 CB ASP A 74 -18.776 -2.236 -0.277 1.00 0.00 C ATOM 1232 CG ASP A 74 -19.544 -1.566 0.862 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -20.664 -1.142 0.627 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -19.001 -1.489 1.952 1.00 0.00 O ATOM 0 H ASP A 74 -17.509 -2.930 -2.154 1.00 0.00 H new ATOM 0 HA ASP A 74 -19.383 -0.742 -1.760 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.360 -3.060 -0.688 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -17.846 -2.661 0.099 1.00 0.00 H new ATOM 1239 N LEU A 75 -16.408 -0.425 -0.405 1.00 0.00 N ATOM 1240 CA LEU A 75 -15.484 0.602 0.158 1.00 0.00 C ATOM 1241 C LEU A 75 -15.001 1.538 -0.945 1.00 0.00 C ATOM 1242 O LEU A 75 -14.726 2.699 -0.720 1.00 0.00 O ATOM 1243 CB LEU A 75 -14.312 -0.200 0.731 1.00 0.00 C ATOM 1244 CG LEU A 75 -14.696 -0.780 2.094 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -16.109 -1.358 2.022 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -13.715 -1.894 2.468 1.00 0.00 C ATOM 0 H LEU A 75 -16.031 -1.372 -0.438 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.965 1.224 0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.041 -1.004 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -13.436 0.441 0.832 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.661 0.008 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.383 -1.771 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.811 -0.569 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.142 -2.146 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.987 -2.308 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.753 -2.681 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.705 -1.488 2.517 1.00 0.00 H new ATOM 1258 N ALA A 76 -14.911 1.035 -2.140 1.00 0.00 N ATOM 1259 CA ALA A 76 -14.461 1.889 -3.277 1.00 0.00 C ATOM 1260 C ALA A 76 -15.509 2.961 -3.517 1.00 0.00 C ATOM 1261 O ALA A 76 -15.218 4.110 -3.787 1.00 0.00 O ATOM 1262 CB ALA A 76 -14.355 0.952 -4.480 1.00 0.00 C ATOM 0 H ALA A 76 -15.129 0.069 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.508 2.384 -3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -14.028 1.516 -5.353 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.633 0.165 -4.265 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.329 0.506 -4.681 1.00 0.00 H new ATOM 1268 N ARG A 77 -16.738 2.563 -3.413 1.00 0.00 N ATOM 1269 CA ARG A 77 -17.871 3.491 -3.617 1.00 0.00 C ATOM 1270 C ARG A 77 -17.857 4.592 -2.545 1.00 0.00 C ATOM 1271 O ARG A 77 -18.199 5.727 -2.803 1.00 0.00 O ATOM 1272 CB ARG A 77 -19.086 2.560 -3.483 1.00 0.00 C ATOM 1273 CG ARG A 77 -20.152 3.165 -2.562 1.00 0.00 C ATOM 1274 CD ARG A 77 -20.632 4.500 -3.140 1.00 0.00 C ATOM 1275 NE ARG A 77 -22.116 4.383 -3.200 1.00 0.00 N ATOM 1276 CZ ARG A 77 -22.856 5.459 -3.227 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -22.637 6.423 -2.375 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -23.815 5.571 -4.107 1.00 0.00 N ATOM 0 H ARG A 77 -17.011 1.606 -3.189 1.00 0.00 H new ATOM 0 HA ARG A 77 -17.855 4.024 -4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -19.515 2.375 -4.468 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -18.766 1.596 -3.088 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -20.992 2.478 -2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -19.741 3.316 -1.564 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -20.327 5.335 -2.510 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -20.210 4.676 -4.129 1.00 0.00 H new ATOM 0 HE ARG A 77 -22.554 3.462 -3.220 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -21.888 6.336 -1.688 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -23.215 7.263 -2.396 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -23.986 4.818 -4.773 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -24.393 6.411 -4.128 1.00 0.00 H new ATOM 1292 N GLU A 78 -17.473 4.255 -1.344 1.00 0.00 N ATOM 1293 CA GLU A 78 -17.448 5.273 -0.251 1.00 0.00 C ATOM 1294 C GLU A 78 -16.313 6.278 -0.473 1.00 0.00 C ATOM 1295 O GLU A 78 -16.504 7.473 -0.368 1.00 0.00 O ATOM 1296 CB GLU A 78 -17.214 4.474 1.031 1.00 0.00 C ATOM 1297 CG GLU A 78 -18.106 3.230 1.029 1.00 0.00 C ATOM 1298 CD GLU A 78 -18.844 3.129 2.366 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -19.172 4.164 2.919 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -19.066 2.016 2.813 1.00 0.00 O ATOM 0 H GLU A 78 -17.175 3.319 -1.071 1.00 0.00 H new ATOM 0 HA GLU A 78 -18.372 5.850 -0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.166 4.183 1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.435 5.091 1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -18.822 3.284 0.209 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -17.503 2.337 0.866 1.00 0.00 H new ATOM 1307 N LEU A 79 -15.132 5.807 -0.770 1.00 0.00 N ATOM 1308 CA LEU A 79 -13.994 6.747 -0.989 1.00 0.00 C ATOM 1309 C LEU A 79 -14.278 7.656 -2.189 1.00 0.00 C ATOM 1310 O LEU A 79 -13.824 8.781 -2.251 1.00 0.00 O ATOM 1311 CB LEU A 79 -12.784 5.853 -1.263 1.00 0.00 C ATOM 1312 CG LEU A 79 -12.071 5.539 0.053 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -13.097 5.107 1.103 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -11.064 4.409 -0.171 1.00 0.00 C ATOM 0 H LEU A 79 -14.906 4.817 -0.870 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.829 7.400 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -13.103 4.929 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.099 6.351 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.549 6.429 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -12.587 4.884 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.814 5.912 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -13.622 4.217 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.555 4.184 0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.587 3.520 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.331 4.717 -0.917 1.00 0.00 H new ATOM 1326 N ARG A 80 -15.027 7.174 -3.142 1.00 0.00 N ATOM 1327 CA ARG A 80 -15.347 8.004 -4.341 1.00 0.00 C ATOM 1328 C ARG A 80 -16.341 9.111 -3.976 1.00 0.00 C ATOM 1329 O ARG A 80 -16.452 10.108 -4.660 1.00 0.00 O ATOM 1330 CB ARG A 80 -15.977 7.033 -5.343 1.00 0.00 C ATOM 1331 CG ARG A 80 -16.514 7.817 -6.543 1.00 0.00 C ATOM 1332 CD ARG A 80 -18.003 8.110 -6.340 1.00 0.00 C ATOM 1333 NE ARG A 80 -18.711 6.945 -6.942 1.00 0.00 N ATOM 1334 CZ ARG A 80 -20.005 6.983 -7.110 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -20.589 8.108 -7.418 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -20.713 5.895 -6.970 1.00 0.00 N ATOM 0 H ARG A 80 -15.433 6.238 -3.143 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.461 8.493 -4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -15.238 6.303 -5.673 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -16.785 6.476 -4.868 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.962 8.750 -6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -16.367 7.245 -7.459 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -18.244 8.215 -5.282 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -18.292 9.042 -6.826 1.00 0.00 H new ATOM 0 HE ARG A 80 -18.184 6.118 -7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -20.035 8.957 -7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -21.600 8.139 -7.549 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -20.255 5.016 -6.729 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -21.724 5.924 -7.101 1.00 0.00 H new ATOM 1350 N ILE A 81 -17.082 8.931 -2.917 1.00 0.00 N ATOM 1351 CA ILE A 81 -18.089 9.958 -2.526 1.00 0.00 C ATOM 1352 C ILE A 81 -17.420 11.290 -2.164 1.00 0.00 C ATOM 1353 O ILE A 81 -17.828 12.337 -2.625 1.00 0.00 O ATOM 1354 CB ILE A 81 -18.779 9.365 -1.298 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -19.669 8.193 -1.725 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -19.631 10.439 -0.624 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -20.930 8.723 -2.411 1.00 0.00 C ATOM 0 H ILE A 81 -17.034 8.116 -2.305 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.780 10.176 -3.340 1.00 0.00 H new ATOM 0 HB ILE A 81 -18.026 9.008 -0.596 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -19.123 7.538 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -19.941 7.595 -0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.123 10.016 0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -18.994 11.269 -0.317 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.384 10.799 -1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -21.559 7.886 -2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -21.481 9.360 -1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -20.650 9.302 -3.291 1.00 0.00 H new ATOM 1369 N ARG A 82 -16.412 11.271 -1.333 1.00 0.00 N ATOM 1370 CA ARG A 82 -15.757 12.558 -0.947 1.00 0.00 C ATOM 1371 C ARG A 82 -14.943 13.142 -2.094 1.00 0.00 C ATOM 1372 O ARG A 82 -14.382 12.441 -2.911 1.00 0.00 O ATOM 1373 CB ARG A 82 -14.846 12.241 0.233 1.00 0.00 C ATOM 1374 CG ARG A 82 -14.079 10.941 -0.016 1.00 0.00 C ATOM 1375 CD ARG A 82 -14.570 9.866 0.957 1.00 0.00 C ATOM 1376 NE ARG A 82 -14.302 10.420 2.312 1.00 0.00 N ATOM 1377 CZ ARG A 82 -14.866 9.884 3.360 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -16.089 9.432 3.284 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -14.209 9.799 4.484 1.00 0.00 N ATOM 0 H ARG A 82 -16.017 10.432 -0.908 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.511 13.302 -0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.144 13.060 0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.438 12.152 1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.226 10.611 -1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.010 11.106 0.116 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.632 9.662 0.817 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.042 8.925 0.804 1.00 0.00 H new ATOM 0 HE ARG A 82 -13.677 11.219 2.422 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.603 9.498 2.406 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -16.530 9.013 4.103 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -13.254 10.152 4.544 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -14.651 9.380 5.302 1.00 0.00 H new ATOM 1393 N ASP A 83 -14.879 14.440 -2.137 1.00 0.00 N ATOM 1394 CA ASP A 83 -14.103 15.136 -3.206 1.00 0.00 C ATOM 1395 C ASP A 83 -12.598 14.988 -2.961 1.00 0.00 C ATOM 1396 O ASP A 83 -11.800 15.047 -3.874 1.00 0.00 O ATOM 1397 CB ASP A 83 -14.519 16.604 -3.106 1.00 0.00 C ATOM 1398 CG ASP A 83 -14.044 17.178 -1.770 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -14.091 16.455 -0.788 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -13.642 18.329 -1.752 1.00 0.00 O ATOM 0 H ASP A 83 -15.337 15.060 -1.469 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.303 14.719 -4.193 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -14.090 17.172 -3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -15.602 16.693 -3.188 1.00 0.00 H new ATOM 1405 N ASN A 84 -12.206 14.819 -1.727 1.00 0.00 N ATOM 1406 CA ASN A 84 -10.753 14.692 -1.413 1.00 0.00 C ATOM 1407 C ASN A 84 -10.163 13.447 -2.076 1.00 0.00 C ATOM 1408 O ASN A 84 -8.969 13.354 -2.285 1.00 0.00 O ATOM 1409 CB ASN A 84 -10.690 14.568 0.110 1.00 0.00 C ATOM 1410 CG ASN A 84 -10.182 15.881 0.708 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -10.662 16.943 0.365 1.00 0.00 O ATOM 1412 ND2 ASN A 84 -9.225 15.854 1.594 1.00 0.00 N ATOM 0 H ASN A 84 -12.830 14.763 -0.922 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.179 15.542 -1.782 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.677 14.333 0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.029 13.748 0.392 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.880 16.724 1.999 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.822 14.962 1.882 1.00 0.00 H new ATOM 1419 N VAL A 85 -10.981 12.492 -2.410 1.00 0.00 N ATOM 1420 CA VAL A 85 -10.455 11.261 -3.058 1.00 0.00 C ATOM 1421 C VAL A 85 -10.623 11.353 -4.575 1.00 0.00 C ATOM 1422 O VAL A 85 -11.715 11.526 -5.079 1.00 0.00 O ATOM 1423 CB VAL A 85 -11.311 10.132 -2.493 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -11.024 8.846 -3.263 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -10.974 9.931 -1.016 1.00 0.00 C ATOM 0 H VAL A 85 -11.990 12.510 -2.263 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.393 11.108 -2.865 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.366 10.387 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.635 8.037 -2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.263 8.992 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.970 8.589 -3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.585 9.125 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -9.920 9.674 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.177 10.851 -0.468 1.00 0.00 H new ATOM 1435 N ARG A 86 -9.552 11.236 -5.308 1.00 0.00 N ATOM 1436 CA ARG A 86 -9.662 11.313 -6.792 1.00 0.00 C ATOM 1437 C ARG A 86 -9.768 9.905 -7.379 1.00 0.00 C ATOM 1438 O ARG A 86 -10.465 9.676 -8.347 1.00 0.00 O ATOM 1439 CB ARG A 86 -8.371 11.993 -7.251 1.00 0.00 C ATOM 1440 CG ARG A 86 -8.588 12.632 -8.623 1.00 0.00 C ATOM 1441 CD ARG A 86 -7.236 13.027 -9.220 1.00 0.00 C ATOM 1442 NE ARG A 86 -7.313 14.503 -9.403 1.00 0.00 N ATOM 1443 CZ ARG A 86 -6.221 15.195 -9.578 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -5.212 15.036 -8.766 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -6.138 16.045 -10.564 1.00 0.00 N ATOM 0 H ARG A 86 -8.609 11.091 -4.947 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.545 11.863 -7.117 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.071 12.752 -6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.562 11.264 -7.302 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.100 11.933 -9.285 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.227 13.510 -8.530 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.416 12.754 -8.556 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.060 12.520 -10.169 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.219 14.972 -9.392 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.277 14.371 -7.995 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.358 15.577 -8.902 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.927 16.169 -11.198 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.284 16.586 -10.701 1.00 0.00 H new ATOM 1459 N ARG A 87 -9.075 8.961 -6.805 1.00 0.00 N ATOM 1460 CA ARG A 87 -9.130 7.574 -7.337 1.00 0.00 C ATOM 1461 C ARG A 87 -8.844 6.551 -6.228 1.00 0.00 C ATOM 1462 O ARG A 87 -8.116 6.821 -5.293 1.00 0.00 O ATOM 1463 CB ARG A 87 -8.047 7.554 -8.417 1.00 0.00 C ATOM 1464 CG ARG A 87 -6.690 7.175 -7.813 1.00 0.00 C ATOM 1465 CD ARG A 87 -5.644 7.093 -8.926 1.00 0.00 C ATOM 1466 NE ARG A 87 -5.747 8.394 -9.645 1.00 0.00 N ATOM 1467 CZ ARG A 87 -5.597 8.438 -10.941 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -4.407 8.334 -11.463 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -6.638 8.588 -11.713 1.00 0.00 N ATOM 0 H ARG A 87 -8.474 9.091 -5.991 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.111 7.307 -7.731 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.316 6.841 -9.196 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.980 8.534 -8.890 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.390 7.915 -7.071 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.764 6.218 -7.297 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.644 6.945 -8.518 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.843 6.255 -9.594 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.935 9.251 -9.124 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.593 8.218 -10.859 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.290 8.368 -12.476 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.569 8.671 -11.304 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.521 8.622 -12.726 1.00 0.00 H new ATOM 1483 N VAL A 88 -9.409 5.378 -6.332 1.00 0.00 N ATOM 1484 CA VAL A 88 -9.170 4.334 -5.294 1.00 0.00 C ATOM 1485 C VAL A 88 -8.718 3.030 -5.958 1.00 0.00 C ATOM 1486 O VAL A 88 -9.384 2.505 -6.829 1.00 0.00 O ATOM 1487 CB VAL A 88 -10.519 4.142 -4.600 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -10.423 2.986 -3.602 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -10.898 5.424 -3.852 1.00 0.00 C ATOM 0 H VAL A 88 -10.027 5.097 -7.093 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.390 4.623 -4.589 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.279 3.916 -5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.385 2.851 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.154 2.071 -4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.661 3.212 -2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.860 5.286 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.136 5.649 -3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.969 6.250 -4.559 1.00 0.00 H new ATOM 1499 N MET A 89 -7.592 2.502 -5.558 1.00 0.00 N ATOM 1500 CA MET A 89 -7.103 1.233 -6.170 1.00 0.00 C ATOM 1501 C MET A 89 -6.740 0.221 -5.080 1.00 0.00 C ATOM 1502 O MET A 89 -5.948 0.497 -4.201 1.00 0.00 O ATOM 1503 CB MET A 89 -5.860 1.631 -6.967 1.00 0.00 C ATOM 1504 CG MET A 89 -5.672 0.659 -8.133 1.00 0.00 C ATOM 1505 SD MET A 89 -3.940 0.136 -8.210 1.00 0.00 S ATOM 1506 CE MET A 89 -3.465 1.134 -9.642 1.00 0.00 C ATOM 0 H MET A 89 -6.990 2.895 -4.834 1.00 0.00 H new ATOM 0 HA MET A 89 -7.858 0.762 -6.799 1.00 0.00 H new ATOM 0 HB2 MET A 89 -5.965 2.649 -7.341 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.981 1.617 -6.322 1.00 0.00 H new ATOM 0 HG2 MET A 89 -6.320 -0.208 -8.005 1.00 0.00 H new ATOM 0 HG3 MET A 89 -5.961 1.137 -9.069 1.00 0.00 H new ATOM 0 HE1 MET A 89 -2.413 0.964 -9.871 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.074 0.851 -10.501 1.00 0.00 H new ATOM 0 HE3 MET A 89 -3.622 2.189 -9.418 1.00 0.00 H new ATOM 1516 N VAL A 90 -7.309 -0.951 -5.133 1.00 0.00 N ATOM 1517 CA VAL A 90 -6.994 -1.982 -4.102 1.00 0.00 C ATOM 1518 C VAL A 90 -6.520 -3.273 -4.775 1.00 0.00 C ATOM 1519 O VAL A 90 -7.192 -3.821 -5.625 1.00 0.00 O ATOM 1520 CB VAL A 90 -8.310 -2.214 -3.362 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -8.091 -3.228 -2.238 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -8.802 -0.892 -2.768 1.00 0.00 C ATOM 0 H VAL A 90 -7.979 -1.241 -5.846 1.00 0.00 H new ATOM 0 HA VAL A 90 -6.198 -1.665 -3.428 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.055 -2.599 -4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.030 -3.394 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.741 -4.170 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.346 -2.844 -1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.741 -1.058 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.057 -0.506 -2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.959 -0.169 -3.569 1.00 0.00 H new ATOM 1532 N VAL A 91 -5.369 -3.762 -4.404 1.00 0.00 N ATOM 1533 CA VAL A 91 -4.859 -5.013 -5.025 1.00 0.00 C ATOM 1534 C VAL A 91 -4.552 -6.053 -3.944 1.00 0.00 C ATOM 1535 O VAL A 91 -3.944 -5.753 -2.936 1.00 0.00 O ATOM 1536 CB VAL A 91 -3.578 -4.593 -5.740 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -3.878 -3.431 -6.688 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -2.538 -4.154 -4.706 1.00 0.00 C ATOM 0 H VAL A 91 -4.761 -3.348 -3.697 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.581 -5.466 -5.704 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.189 -5.435 -6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.962 -3.132 -7.198 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.618 -3.744 -7.425 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.268 -2.588 -6.118 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.622 -3.854 -5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.927 -3.312 -4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.323 -4.983 -4.032 1.00 0.00 H new ATOM 1548 N LYS A 92 -4.967 -7.273 -4.145 1.00 0.00 N ATOM 1549 CA LYS A 92 -4.692 -8.327 -3.127 1.00 0.00 C ATOM 1550 C LYS A 92 -3.300 -8.922 -3.357 1.00 0.00 C ATOM 1551 O LYS A 92 -2.861 -9.080 -4.479 1.00 0.00 O ATOM 1552 CB LYS A 92 -5.781 -9.384 -3.337 1.00 0.00 C ATOM 1553 CG LYS A 92 -5.432 -10.260 -4.543 1.00 0.00 C ATOM 1554 CD LYS A 92 -6.697 -10.951 -5.058 1.00 0.00 C ATOM 1555 CE LYS A 92 -6.324 -11.956 -6.149 1.00 0.00 C ATOM 1556 NZ LYS A 92 -7.334 -11.750 -7.225 1.00 0.00 N ATOM 0 H LYS A 92 -5.483 -7.586 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.707 -7.937 -2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.878 -10.001 -2.444 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.744 -8.899 -3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.991 -9.651 -5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.688 -11.005 -4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.205 -11.460 -4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.393 -10.211 -5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.313 -11.781 -6.518 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -6.353 -12.978 -5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -7.144 -12.405 -8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -8.286 -11.930 -6.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.278 -10.771 -7.570 1.00 0.00 H new ATOM 1570 N SER A 93 -2.601 -9.250 -2.306 1.00 0.00 N ATOM 1571 CA SER A 93 -1.239 -9.829 -2.472 1.00 0.00 C ATOM 1572 C SER A 93 -1.273 -11.346 -2.264 1.00 0.00 C ATOM 1573 O SER A 93 -2.015 -11.853 -1.445 1.00 0.00 O ATOM 1574 CB SER A 93 -0.396 -9.158 -1.390 1.00 0.00 C ATOM 1575 OG SER A 93 -0.748 -9.692 -0.122 1.00 0.00 O ATOM 0 H SER A 93 -2.913 -9.142 -1.341 1.00 0.00 H new ATOM 0 HA SER A 93 -0.837 -9.659 -3.471 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.664 -9.322 -1.585 1.00 0.00 H new ATOM 0 HB3 SER A 93 -0.559 -8.080 -1.402 1.00 0.00 H new ATOM 0 HG SER A 93 -1.399 -9.102 0.312 1.00 0.00 H new