USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 847 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 21 TYR OH : rot 35:sc= 0.958 USER MOD Set 1.2: A 56 ASN : amide:sc= -0.355 X(o=0.6,f=0.92) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.679 (180deg=0.283) USER MOD Single : A 6 LYS NZ :NH3+ 145:sc= -0.333 (180deg=-1.37!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.42 K(o=-2.4,f=-5.8!) USER MOD Single : A 15 LYS NZ :NH3+ 152:sc= -0.0505 (180deg=-0.65) USER MOD Single : A 17 LYS NZ :NH3+ -106:sc= -14.7! (180deg=-28.5!) USER MOD Single : A 20 LYS NZ :NH3+ -125:sc= -0.0601 (180deg=-0.496) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0183) USER MOD Single : A 42 LYS NZ :NH3+ -142:sc= -0.227 (180deg=-2.66!) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -1.81 F(o=-2.9,f=-1.8) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -156:sc= 0.162 (180deg=0.0263) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 90:sc= 0.0624 USER MOD Single : A 62 LYS NZ :NH3+ 166:sc=-0.00964 (180deg=-0.179) USER MOD Single : A 63 HIS : no HD1:sc= -1.72 X(o=-1.7,f=-1.9) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 63:sc= -12.3! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -49:sc= 0.066 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 152:sc= -0.465 (180deg=-1.9!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0.348 K(o=0.35,f=-5.7!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.155 K(o=-0.16,f=-1.7!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -118:sc= 0.186 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.555 -3.102 3.110 1.00 0.00 N ATOM 2 CA MET A 1 16.802 -2.307 2.148 1.00 0.00 C ATOM 3 C MET A 1 16.510 -0.912 2.728 1.00 0.00 C ATOM 4 O MET A 1 16.441 -0.764 3.948 1.00 0.00 O ATOM 5 CB MET A 1 15.502 -3.033 1.800 1.00 0.00 C ATOM 6 CG MET A 1 15.687 -4.162 0.800 1.00 0.00 C ATOM 7 SD MET A 1 16.221 -5.698 1.578 1.00 0.00 S ATOM 8 CE MET A 1 17.785 -5.971 0.749 1.00 0.00 C ATOM 0 H1 MET A 1 17.339 -4.110 2.972 1.00 0.00 H new ATOM 0 H2 MET A 1 18.573 -2.944 2.969 1.00 0.00 H new ATOM 0 H3 MET A 1 17.291 -2.820 4.076 1.00 0.00 H new ATOM 0 HA MET A 1 17.390 -2.179 1.239 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.064 -3.436 2.713 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.790 -2.313 1.396 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.748 -4.333 0.273 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.422 -3.863 0.052 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.240 -6.888 1.124 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.617 -6.061 -0.324 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.451 -5.130 0.942 1.00 0.00 H new ATOM 18 N ASP A 2 16.339 0.119 1.880 1.00 0.00 N ATOM 19 CA ASP A 2 16.062 1.461 2.396 1.00 0.00 C ATOM 20 C ASP A 2 14.950 2.106 1.606 1.00 0.00 C ATOM 21 O ASP A 2 15.124 2.467 0.451 1.00 0.00 O ATOM 22 CB ASP A 2 17.311 2.335 2.357 1.00 0.00 C ATOM 23 CG ASP A 2 18.448 1.758 3.177 1.00 0.00 C ATOM 24 OD1 ASP A 2 18.307 1.685 4.416 1.00 0.00 O ATOM 25 OD2 ASP A 2 19.478 1.380 2.581 1.00 0.00 O ATOM 0 H ASP A 2 16.387 0.048 0.864 1.00 0.00 H new ATOM 0 HA ASP A 2 15.749 1.364 3.436 1.00 0.00 H new ATOM 0 HB2 ASP A 2 17.636 2.453 1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 2 17.067 3.330 2.730 1.00 0.00 H new ATOM 30 N LEU A 3 13.811 2.256 2.214 1.00 0.00 N ATOM 31 CA LEU A 3 12.697 2.838 1.515 1.00 0.00 C ATOM 32 C LEU A 3 12.614 4.343 1.716 1.00 0.00 C ATOM 33 O LEU A 3 12.297 4.809 2.811 1.00 0.00 O ATOM 34 CB LEU A 3 11.407 2.174 2.002 1.00 0.00 C ATOM 35 CG LEU A 3 10.335 1.798 0.965 1.00 0.00 C ATOM 36 CD1 LEU A 3 9.223 2.829 0.949 1.00 0.00 C ATOM 37 CD2 LEU A 3 10.906 1.609 -0.431 1.00 0.00 C ATOM 0 H LEU A 3 13.626 1.988 3.181 1.00 0.00 H new ATOM 0 HA LEU A 3 12.837 2.666 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.684 1.265 2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.945 2.842 2.728 1.00 0.00 H new ATOM 0 HG LEU A 3 9.927 0.835 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.474 2.545 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.759 2.879 1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.635 3.805 0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.103 1.345 -1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.377 2.535 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.648 0.811 -0.416 1.00 0.00 H new ATOM 49 N ILE A 4 12.812 5.104 0.641 1.00 0.00 N ATOM 50 CA ILE A 4 12.651 6.548 0.746 1.00 0.00 C ATOM 51 C ILE A 4 11.319 6.880 0.181 1.00 0.00 C ATOM 52 O ILE A 4 10.928 6.414 -0.891 1.00 0.00 O ATOM 53 CB ILE A 4 13.649 7.442 0.039 1.00 0.00 C ATOM 54 CG1 ILE A 4 13.984 6.909 -1.360 1.00 0.00 C ATOM 55 CG2 ILE A 4 14.894 7.636 0.898 1.00 0.00 C ATOM 56 CD1 ILE A 4 15.450 7.007 -1.736 1.00 0.00 C ATOM 0 H ILE A 4 13.075 4.758 -0.282 1.00 0.00 H new ATOM 0 HA ILE A 4 12.799 6.753 1.806 1.00 0.00 H new ATOM 0 HB ILE A 4 13.194 8.422 -0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 4 13.675 5.865 -1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 4 13.396 7.459 -2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 4 15.600 8.281 0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 4 14.614 8.097 1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 4 15.359 6.669 1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 4 15.596 6.608 -2.740 1.00 0.00 H new ATOM 0 HD12 ILE A 4 15.763 8.051 -1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 4 16.047 6.433 -1.027 1.00 0.00 H new ATOM 68 N ILE A 5 10.586 7.572 0.982 1.00 0.00 N ATOM 69 CA ILE A 5 9.233 7.864 0.683 1.00 0.00 C ATOM 70 C ILE A 5 8.876 9.304 0.274 1.00 0.00 C ATOM 71 O ILE A 5 9.291 10.282 0.894 1.00 0.00 O ATOM 72 CB ILE A 5 8.470 7.502 1.946 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.313 5.991 2.054 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.170 8.218 1.989 1.00 0.00 C ATOM 75 CD1 ILE A 5 9.576 5.318 2.548 1.00 0.00 C ATOM 0 H ILE A 5 10.914 7.953 1.870 1.00 0.00 H new ATOM 0 HA ILE A 5 8.978 7.298 -0.213 1.00 0.00 H new ATOM 0 HB ILE A 5 9.038 7.826 2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.492 5.760 2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.045 5.585 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 5 6.636 7.948 2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.346 9.294 1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.572 7.939 1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.415 4.242 2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.393 5.524 1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.831 5.703 3.535 1.00 0.00 H new ATOM 87 N LYS A 6 7.966 9.361 -0.697 1.00 0.00 N ATOM 88 CA LYS A 6 7.332 10.593 -1.170 1.00 0.00 C ATOM 89 C LYS A 6 5.866 10.188 -1.364 1.00 0.00 C ATOM 90 O LYS A 6 5.287 10.283 -2.446 1.00 0.00 O ATOM 91 CB LYS A 6 7.958 11.108 -2.465 1.00 0.00 C ATOM 92 CG LYS A 6 8.511 12.520 -2.352 1.00 0.00 C ATOM 93 CD LYS A 6 8.330 13.294 -3.646 1.00 0.00 C ATOM 94 CE LYS A 6 6.950 13.923 -3.729 1.00 0.00 C ATOM 95 NZ LYS A 6 6.627 14.717 -2.512 1.00 0.00 N ATOM 0 H LYS A 6 7.640 8.530 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 6 7.454 11.419 -0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.761 10.435 -2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.209 11.082 -3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.008 13.045 -1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.570 12.478 -2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.090 14.072 -3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.478 12.626 -4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.897 14.567 -4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.202 13.141 -3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.058 15.546 -2.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.088 14.127 -1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.509 15.033 -2.060 1.00 0.00 H new ATOM 109 N GLU A 7 5.363 9.592 -0.279 1.00 0.00 N ATOM 110 CA GLU A 7 4.045 8.961 -0.186 1.00 0.00 C ATOM 111 C GLU A 7 2.859 9.905 0.034 1.00 0.00 C ATOM 112 O GLU A 7 2.920 10.813 0.863 1.00 0.00 O ATOM 113 CB GLU A 7 4.167 7.878 0.907 1.00 0.00 C ATOM 114 CG GLU A 7 5.088 6.685 0.512 1.00 0.00 C ATOM 115 CD GLU A 7 6.017 6.945 -0.641 1.00 0.00 C ATOM 116 OE1 GLU A 7 5.584 7.538 -1.643 1.00 0.00 O ATOM 117 OE2 GLU A 7 7.186 6.529 -0.547 1.00 0.00 O ATOM 0 H GLU A 7 5.886 9.534 0.595 1.00 0.00 H new ATOM 0 HA GLU A 7 3.793 8.535 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.553 8.336 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.173 7.496 1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.683 6.404 1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.460 5.829 0.265 1.00 0.00 H new ATOM 124 N LYS A 8 1.748 9.660 -0.717 1.00 0.00 N ATOM 125 CA LYS A 8 0.549 10.455 -0.594 1.00 0.00 C ATOM 126 C LYS A 8 -0.650 9.517 -0.521 1.00 0.00 C ATOM 127 O LYS A 8 -0.742 8.570 -1.299 1.00 0.00 O ATOM 128 CB LYS A 8 0.409 11.412 -1.779 1.00 0.00 C ATOM 129 CG LYS A 8 1.330 12.616 -1.703 1.00 0.00 C ATOM 130 CD LYS A 8 1.655 13.158 -3.085 1.00 0.00 C ATOM 131 CE LYS A 8 0.403 13.626 -3.809 1.00 0.00 C ATOM 132 NZ LYS A 8 0.466 13.348 -5.270 1.00 0.00 N ATOM 0 H LYS A 8 1.685 8.912 -1.407 1.00 0.00 H new ATOM 0 HA LYS A 8 0.602 11.058 0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.613 10.867 -2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.623 11.758 -1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.860 13.398 -1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.253 12.338 -1.194 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.356 13.988 -2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.149 12.385 -3.673 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.469 13.130 -3.383 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.270 14.696 -3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.407 13.683 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.283 13.842 -5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.566 12.324 -5.425 1.00 0.00 H new ATOM 146 N ARG A 9 -1.555 9.739 0.421 1.00 0.00 N ATOM 147 CA ARG A 9 -2.703 8.850 0.561 1.00 0.00 C ATOM 148 C ARG A 9 -4.033 9.583 0.535 1.00 0.00 C ATOM 149 O ARG A 9 -4.219 10.593 1.212 1.00 0.00 O ATOM 150 CB ARG A 9 -2.589 8.040 1.857 1.00 0.00 C ATOM 151 CG ARG A 9 -2.319 8.891 3.090 1.00 0.00 C ATOM 152 CD ARG A 9 -3.608 9.418 3.699 1.00 0.00 C ATOM 153 NE ARG A 9 -3.580 9.375 5.160 1.00 0.00 N ATOM 154 CZ ARG A 9 -4.379 10.101 5.939 1.00 0.00 C ATOM 155 NH1 ARG A 9 -5.276 10.920 5.404 1.00 0.00 N ATOM 156 NH2 ARG A 9 -4.284 10.005 7.258 1.00 0.00 N ATOM 0 H ARG A 9 -1.521 10.510 1.088 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.686 8.185 -0.303 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.512 7.481 2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.788 7.309 1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.781 8.299 3.831 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.674 9.728 2.821 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.772 10.444 3.369 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.449 8.828 3.335 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.909 8.752 5.609 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.356 10.996 4.390 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.885 11.473 6.007 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.599 9.375 7.675 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.896 10.561 7.855 1.00 0.00 H new ATOM 170 N ASP A 10 -4.964 9.028 -0.232 1.00 0.00 N ATOM 171 CA ASP A 10 -6.302 9.581 -0.332 1.00 0.00 C ATOM 172 C ASP A 10 -7.316 8.505 0.031 1.00 0.00 C ATOM 173 O ASP A 10 -7.457 7.465 -0.651 1.00 0.00 O ATOM 174 CB ASP A 10 -6.564 10.101 -1.748 1.00 0.00 C ATOM 175 CG ASP A 10 -7.524 11.272 -1.763 1.00 0.00 C ATOM 176 OD1 ASP A 10 -7.144 12.359 -1.280 1.00 0.00 O ATOM 177 OD2 ASP A 10 -8.660 11.102 -2.257 1.00 0.00 O ATOM 0 H ASP A 10 -4.812 8.191 -0.795 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.397 10.418 0.359 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.620 10.402 -2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.969 9.295 -2.359 1.00 0.00 H new ATOM 182 N ASN A 11 -8.040 8.727 1.110 1.00 0.00 N ATOM 183 CA ASN A 11 -8.999 7.738 1.496 1.00 0.00 C ATOM 184 C ASN A 11 -10.423 8.232 1.285 1.00 0.00 C ATOM 185 O ASN A 11 -10.891 9.131 1.985 1.00 0.00 O ATOM 186 CB ASN A 11 -8.800 7.383 2.972 1.00 0.00 C ATOM 187 CG ASN A 11 -7.510 6.622 3.213 1.00 0.00 C ATOM 188 OD1 ASN A 11 -6.905 6.094 2.279 1.00 0.00 O ATOM 189 ND2 ASN A 11 -7.087 6.558 4.469 1.00 0.00 N ATOM 0 H ASN A 11 -7.981 9.552 1.708 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.847 6.857 0.872 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.796 8.297 3.566 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.643 6.783 3.316 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.228 6.056 4.693 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.621 7.011 5.211 1.00 0.00 H new ATOM 196 N PRO A 12 -11.144 7.625 0.330 1.00 0.00 N ATOM 197 CA PRO A 12 -12.510 7.946 0.022 1.00 0.00 C ATOM 198 C PRO A 12 -13.415 6.820 0.529 1.00 0.00 C ATOM 199 O PRO A 12 -13.487 6.578 1.733 1.00 0.00 O ATOM 200 CB PRO A 12 -12.437 7.981 -1.502 1.00 0.00 C ATOM 201 CG PRO A 12 -11.477 6.876 -1.846 1.00 0.00 C ATOM 202 CD PRO A 12 -10.686 6.573 -0.583 1.00 0.00 C ATOM 0 HA PRO A 12 -12.908 8.859 0.464 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.415 7.814 -1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.081 8.946 -1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.013 5.991 -2.188 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.812 7.179 -2.655 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.902 5.577 -0.197 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.611 6.623 -0.754 1.00 0.00 H new ATOM 210 N ILE A 13 -14.066 6.106 -0.383 1.00 0.00 N ATOM 211 CA ILE A 13 -14.906 4.987 -0.005 1.00 0.00 C ATOM 212 C ILE A 13 -14.057 3.802 0.458 1.00 0.00 C ATOM 213 O ILE A 13 -14.409 3.091 1.399 1.00 0.00 O ATOM 214 CB ILE A 13 -15.762 4.515 -1.205 1.00 0.00 C ATOM 215 CG1 ILE A 13 -14.874 3.759 -2.211 1.00 0.00 C ATOM 216 CG2 ILE A 13 -16.448 5.699 -1.869 1.00 0.00 C ATOM 217 CD1 ILE A 13 -15.549 3.402 -3.515 1.00 0.00 C ATOM 0 H ILE A 13 -14.025 6.286 -1.386 1.00 0.00 H new ATOM 0 HA ILE A 13 -15.549 5.327 0.806 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.537 3.838 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.997 4.368 -2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.517 2.843 -1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -17.045 5.348 -2.711 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -17.095 6.196 -1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -15.696 6.402 -2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -14.844 2.873 -4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -16.409 2.763 -3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -15.881 4.312 -4.014 1.00 0.00 H new ATOM 229 N LEU A 14 -12.965 3.568 -0.275 1.00 0.00 N ATOM 230 CA LEU A 14 -12.086 2.433 -0.017 1.00 0.00 C ATOM 231 C LEU A 14 -10.729 2.781 0.602 1.00 0.00 C ATOM 232 O LEU A 14 -9.852 1.920 0.651 1.00 0.00 O ATOM 233 CB LEU A 14 -11.906 1.622 -1.302 1.00 0.00 C ATOM 234 CG LEU A 14 -10.974 2.214 -2.368 1.00 0.00 C ATOM 235 CD1 LEU A 14 -10.963 3.738 -2.336 1.00 0.00 C ATOM 236 CD2 LEU A 14 -9.569 1.664 -2.189 1.00 0.00 C ATOM 0 H LEU A 14 -12.671 4.155 -1.055 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.587 1.839 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.530 0.636 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.888 1.476 -1.752 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.355 1.918 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.290 4.113 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.970 4.113 -2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.621 4.079 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.913 2.088 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.198 1.930 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.587 0.579 -2.290 1.00 0.00 H new ATOM 248 N LYS A 15 -10.556 3.997 1.119 1.00 0.00 N ATOM 249 CA LYS A 15 -9.295 4.352 1.785 1.00 0.00 C ATOM 250 C LYS A 15 -8.040 3.957 0.980 1.00 0.00 C ATOM 251 O LYS A 15 -7.194 3.223 1.486 1.00 0.00 O ATOM 252 CB LYS A 15 -9.273 3.745 3.190 1.00 0.00 C ATOM 253 CG LYS A 15 -9.323 2.227 3.239 1.00 0.00 C ATOM 254 CD LYS A 15 -10.758 1.716 3.218 1.00 0.00 C ATOM 255 CE LYS A 15 -11.158 1.110 4.555 1.00 0.00 C ATOM 256 NZ LYS A 15 -10.829 2.014 5.693 1.00 0.00 N ATOM 0 H LYS A 15 -11.253 4.741 1.093 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.258 5.439 1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.369 4.080 3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.120 4.139 3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.777 1.816 2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.823 1.874 4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.433 2.536 2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.867 0.968 2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.228 0.902 4.554 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.648 0.156 4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.489 1.839 6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.856 1.831 6.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.912 3.004 5.385 1.00 0.00 H new ATOM 270 N ARG A 16 -7.926 4.402 -0.279 1.00 0.00 N ATOM 271 CA ARG A 16 -6.774 4.023 -1.109 1.00 0.00 C ATOM 272 C ARG A 16 -5.698 5.099 -1.109 1.00 0.00 C ATOM 273 O ARG A 16 -5.985 6.269 -0.890 1.00 0.00 O ATOM 274 CB ARG A 16 -7.227 3.759 -2.545 1.00 0.00 C ATOM 275 CG ARG A 16 -6.666 2.477 -3.138 1.00 0.00 C ATOM 276 CD ARG A 16 -6.971 2.372 -4.623 1.00 0.00 C ATOM 277 NE ARG A 16 -6.305 1.230 -5.242 1.00 0.00 N ATOM 278 CZ ARG A 16 -6.653 0.721 -6.421 1.00 0.00 C ATOM 279 NH1 ARG A 16 -7.657 1.248 -7.110 1.00 0.00 N ATOM 280 NH2 ARG A 16 -5.994 -0.320 -6.915 1.00 0.00 N ATOM 0 H ARG A 16 -8.602 5.012 -0.738 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.347 3.116 -0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.316 3.714 -2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.928 4.600 -3.171 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.587 2.445 -2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.089 1.618 -2.617 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.048 2.284 -4.766 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.657 3.288 -5.123 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.528 0.797 -4.742 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.167 2.048 -6.736 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.919 0.853 -8.013 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.221 -0.730 -6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.261 -0.710 -7.819 1.00 0.00 H new ATOM 294 N LYS A 17 -4.448 4.715 -1.363 1.00 0.00 N ATOM 295 CA LYS A 17 -3.380 5.715 -1.385 1.00 0.00 C ATOM 296 C LYS A 17 -2.454 5.552 -2.590 1.00 0.00 C ATOM 297 O LYS A 17 -2.382 4.457 -3.181 1.00 0.00 O ATOM 298 CB LYS A 17 -2.636 5.721 -0.052 1.00 0.00 C ATOM 299 CG LYS A 17 -1.786 4.497 0.209 1.00 0.00 C ATOM 300 CD LYS A 17 -0.491 4.535 -0.581 1.00 0.00 C ATOM 301 CE LYS A 17 -0.501 3.505 -1.692 1.00 0.00 C ATOM 302 NZ LYS A 17 -0.225 4.095 -3.013 1.00 0.00 N ATOM 0 H LYS A 17 -4.155 3.756 -1.550 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.834 6.698 -1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.998 6.604 -0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.364 5.818 0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.561 4.430 1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.347 3.601 -0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.348 5.529 -1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.351 4.348 0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.243 2.738 -1.478 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.472 3.010 -1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.105 4.136 -3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.153 5.056 -2.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.472 3.510 -3.516 1.00 0.00 H new ATOM 316 N GLU A 18 -1.753 6.666 -2.945 1.00 0.00 N ATOM 317 CA GLU A 18 -0.821 6.719 -4.072 1.00 0.00 C ATOM 318 C GLU A 18 0.457 7.360 -3.587 1.00 0.00 C ATOM 319 O GLU A 18 0.488 8.550 -3.275 1.00 0.00 O ATOM 320 CB GLU A 18 -1.397 7.529 -5.213 1.00 0.00 C ATOM 321 CG GLU A 18 -0.860 7.130 -6.574 1.00 0.00 C ATOM 322 CD GLU A 18 -1.861 7.369 -7.689 1.00 0.00 C ATOM 323 OE1 GLU A 18 -2.964 6.788 -7.629 1.00 0.00 O ATOM 324 OE2 GLU A 18 -1.542 8.138 -8.619 1.00 0.00 O ATOM 0 H GLU A 18 -1.831 7.551 -2.443 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.634 5.710 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.482 7.420 -5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.183 8.584 -5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.050 7.693 -6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.585 6.075 -6.557 1.00 0.00 H new ATOM 331 N ILE A 19 1.481 6.569 -3.460 1.00 0.00 N ATOM 332 CA ILE A 19 2.731 7.045 -2.930 1.00 0.00 C ATOM 333 C ILE A 19 3.914 6.620 -3.784 1.00 0.00 C ATOM 334 O ILE A 19 3.888 5.570 -4.419 1.00 0.00 O ATOM 335 CB ILE A 19 2.907 6.603 -1.466 1.00 0.00 C ATOM 336 CG1 ILE A 19 3.315 5.160 -1.365 1.00 0.00 C ATOM 337 CG2 ILE A 19 1.638 6.827 -0.657 1.00 0.00 C ATOM 338 CD1 ILE A 19 2.393 4.277 -2.121 1.00 0.00 C ATOM 0 H ILE A 19 1.478 5.582 -3.718 1.00 0.00 H new ATOM 0 HA ILE A 19 2.702 8.134 -2.955 1.00 0.00 H new ATOM 0 HB ILE A 19 3.703 7.221 -1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.329 5.040 -1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.331 4.858 -0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.800 6.503 0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.382 7.886 -0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.822 6.252 -1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.720 3.242 -2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.384 4.377 -1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.397 4.562 -3.173 1.00 0.00 H new ATOM 350 N LYS A 20 4.945 7.447 -3.802 1.00 0.00 N ATOM 351 CA LYS A 20 6.143 7.148 -4.581 1.00 0.00 C ATOM 352 C LYS A 20 7.207 6.575 -3.647 1.00 0.00 C ATOM 353 O LYS A 20 7.459 7.130 -2.588 1.00 0.00 O ATOM 354 CB LYS A 20 6.663 8.415 -5.234 1.00 0.00 C ATOM 355 CG LYS A 20 7.813 9.011 -4.466 1.00 0.00 C ATOM 356 CD LYS A 20 9.127 8.371 -4.884 1.00 0.00 C ATOM 357 CE LYS A 20 10.256 9.384 -4.936 1.00 0.00 C ATOM 358 NZ LYS A 20 10.022 10.427 -5.973 1.00 0.00 N ATOM 0 H LYS A 20 4.981 8.328 -3.290 1.00 0.00 H new ATOM 0 HA LYS A 20 5.905 6.424 -5.360 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.982 8.194 -6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.856 9.145 -5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.855 10.086 -4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.656 8.867 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.383 7.577 -4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.010 7.907 -5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.362 9.859 -3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.195 8.870 -5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.836 10.463 -6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.163 10.195 -6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.904 11.353 -5.514 1.00 0.00 H new ATOM 372 N TYR A 21 7.802 5.455 -3.996 1.00 0.00 N ATOM 373 CA TYR A 21 8.765 4.841 -3.090 1.00 0.00 C ATOM 374 C TYR A 21 10.045 4.289 -3.748 1.00 0.00 C ATOM 375 O TYR A 21 10.027 3.797 -4.883 1.00 0.00 O ATOM 376 CB TYR A 21 7.998 3.736 -2.353 1.00 0.00 C ATOM 377 CG TYR A 21 8.028 2.384 -3.041 1.00 0.00 C ATOM 378 CD1 TYR A 21 7.873 2.282 -4.418 1.00 0.00 C ATOM 379 CD2 TYR A 21 8.196 1.216 -2.313 1.00 0.00 C ATOM 380 CE1 TYR A 21 7.887 1.054 -5.050 1.00 0.00 C ATOM 381 CE2 TYR A 21 8.214 -0.016 -2.937 1.00 0.00 C ATOM 382 CZ TYR A 21 8.058 -0.092 -4.305 1.00 0.00 C ATOM 383 OH TYR A 21 8.071 -1.318 -4.930 1.00 0.00 O ATOM 0 H TYR A 21 7.647 4.958 -4.873 1.00 0.00 H new ATOM 0 HA TYR A 21 9.152 5.612 -2.424 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.413 3.629 -1.351 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.960 4.047 -2.236 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.739 3.179 -5.005 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.315 1.270 -1.241 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.765 0.993 -6.121 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.350 -0.916 -2.356 1.00 0.00 H new ATOM 0 HH TYR A 21 8.493 -1.232 -5.810 1.00 0.00 H new ATOM 393 N VAL A 22 11.145 4.332 -2.969 1.00 0.00 N ATOM 394 CA VAL A 22 12.455 3.767 -3.396 1.00 0.00 C ATOM 395 C VAL A 22 12.980 2.836 -2.312 1.00 0.00 C ATOM 396 O VAL A 22 12.957 3.182 -1.145 1.00 0.00 O ATOM 397 CB VAL A 22 13.582 4.817 -3.687 1.00 0.00 C ATOM 398 CG1 VAL A 22 14.916 4.404 -3.048 1.00 0.00 C ATOM 399 CG2 VAL A 22 13.817 4.973 -5.175 1.00 0.00 C ATOM 0 H VAL A 22 11.159 4.751 -2.039 1.00 0.00 H new ATOM 0 HA VAL A 22 12.242 3.260 -4.337 1.00 0.00 H new ATOM 0 HB VAL A 22 13.239 5.758 -3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.674 5.155 -3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.792 4.322 -1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.230 3.441 -3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 22 14.604 5.708 -5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.118 4.015 -5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.898 5.309 -5.655 1.00 0.00 H new ATOM 409 N LEU A 23 13.500 1.685 -2.697 1.00 0.00 N ATOM 410 CA LEU A 23 14.065 0.759 -1.769 1.00 0.00 C ATOM 411 C LEU A 23 15.529 0.633 -2.121 1.00 0.00 C ATOM 412 O LEU A 23 15.870 0.275 -3.248 1.00 0.00 O ATOM 413 CB LEU A 23 13.366 -0.610 -1.883 1.00 0.00 C ATOM 414 CG LEU A 23 13.883 -1.712 -0.936 1.00 0.00 C ATOM 415 CD1 LEU A 23 12.819 -2.090 0.089 1.00 0.00 C ATOM 416 CD2 LEU A 23 14.316 -2.953 -1.718 1.00 0.00 C ATOM 0 H LEU A 23 13.536 1.377 -3.669 1.00 0.00 H new ATOM 0 HA LEU A 23 13.937 1.105 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.301 -0.469 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.467 -0.963 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 23 14.751 -1.313 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.207 -2.869 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.557 -1.213 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.932 -2.458 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.676 -3.713 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.467 -3.345 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.115 -2.686 -2.410 1.00 0.00 H new ATOM 428 N LYS A 24 16.395 0.930 -1.181 1.00 0.00 N ATOM 429 CA LYS A 24 17.809 0.841 -1.449 1.00 0.00 C ATOM 430 C LYS A 24 18.301 -0.443 -0.859 1.00 0.00 C ATOM 431 O LYS A 24 18.168 -0.693 0.327 1.00 0.00 O ATOM 432 CB LYS A 24 18.561 2.022 -0.826 1.00 0.00 C ATOM 433 CG LYS A 24 17.833 3.352 -0.960 1.00 0.00 C ATOM 434 CD LYS A 24 18.377 4.386 0.015 1.00 0.00 C ATOM 435 CE LYS A 24 18.206 5.797 -0.520 1.00 0.00 C ATOM 436 NZ LYS A 24 19.454 6.599 -0.385 1.00 0.00 N ATOM 0 H LYS A 24 16.150 1.231 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 24 17.985 0.869 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 24 18.731 1.816 0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 24 19.541 2.106 -1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.935 3.723 -1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.768 3.205 -0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.862 4.293 0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.433 4.192 0.202 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.914 5.754 -1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.397 6.293 0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.295 7.555 -0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.719 6.662 0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.221 6.140 -0.918 1.00 0.00 H new ATOM 450 N PHE A 25 18.838 -1.280 -1.705 1.00 0.00 N ATOM 451 CA PHE A 25 19.284 -2.569 -1.259 1.00 0.00 C ATOM 452 C PHE A 25 20.793 -2.698 -1.323 1.00 0.00 C ATOM 453 O PHE A 25 21.428 -2.337 -2.312 1.00 0.00 O ATOM 454 CB PHE A 25 18.595 -3.650 -2.092 1.00 0.00 C ATOM 455 CG PHE A 25 18.065 -3.190 -3.421 1.00 0.00 C ATOM 456 CD1 PHE A 25 16.932 -2.396 -3.500 1.00 0.00 C ATOM 457 CD2 PHE A 25 18.697 -3.564 -4.597 1.00 0.00 C ATOM 458 CE1 PHE A 25 16.442 -1.983 -4.724 1.00 0.00 C ATOM 459 CE2 PHE A 25 18.213 -3.155 -5.823 1.00 0.00 C ATOM 460 CZ PHE A 25 17.084 -2.365 -5.887 1.00 0.00 C ATOM 0 H PHE A 25 18.976 -1.094 -2.698 1.00 0.00 H new ATOM 0 HA PHE A 25 19.011 -2.693 -0.211 1.00 0.00 H new ATOM 0 HB2 PHE A 25 19.302 -4.462 -2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 25 17.769 -4.062 -1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.426 -2.096 -2.594 1.00 0.00 H new ATOM 0 HD2 PHE A 25 19.580 -4.184 -4.553 1.00 0.00 H new ATOM 0 HE1 PHE A 25 15.559 -1.363 -4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 25 18.717 -3.453 -6.730 1.00 0.00 H new ATOM 0 HZ PHE A 25 16.702 -2.045 -6.845 1.00 0.00 H new ATOM 470 N ASP A 26 21.354 -3.222 -0.243 1.00 0.00 N ATOM 471 CA ASP A 26 22.795 -3.411 -0.147 1.00 0.00 C ATOM 472 C ASP A 26 23.168 -4.878 -0.342 1.00 0.00 C ATOM 473 O ASP A 26 22.377 -5.775 -0.050 1.00 0.00 O ATOM 474 CB ASP A 26 23.315 -2.908 1.204 1.00 0.00 C ATOM 475 CG ASP A 26 22.821 -3.742 2.371 1.00 0.00 C ATOM 476 OD1 ASP A 26 22.040 -4.688 2.138 1.00 0.00 O ATOM 477 OD2 ASP A 26 23.215 -3.447 3.519 1.00 0.00 O ATOM 0 H ASP A 26 20.833 -3.524 0.580 1.00 0.00 H new ATOM 0 HA ASP A 26 23.263 -2.830 -0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 26 24.405 -2.915 1.194 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.004 -1.873 1.345 1.00 0.00 H new ATOM 482 N SER A 27 24.379 -5.116 -0.836 1.00 0.00 N ATOM 483 CA SER A 27 24.856 -6.475 -1.069 1.00 0.00 C ATOM 484 C SER A 27 23.956 -7.204 -2.062 1.00 0.00 C ATOM 485 O SER A 27 22.920 -6.685 -2.476 1.00 0.00 O ATOM 486 CB SER A 27 24.913 -7.247 0.251 1.00 0.00 C ATOM 487 OG SER A 27 26.116 -7.984 0.360 1.00 0.00 O ATOM 0 H SER A 27 25.048 -4.386 -1.083 1.00 0.00 H new ATOM 0 HA SER A 27 25.859 -6.417 -1.492 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.832 -6.551 1.086 1.00 0.00 H new ATOM 0 HB3 SER A 27 24.061 -7.924 0.317 1.00 0.00 H new ATOM 0 HG SER A 27 26.128 -8.467 1.213 1.00 0.00 H new ATOM 493 N SER A 28 24.362 -8.411 -2.442 1.00 0.00 N ATOM 494 CA SER A 28 23.594 -9.215 -3.386 1.00 0.00 C ATOM 495 C SER A 28 22.734 -10.237 -2.652 1.00 0.00 C ATOM 496 O SER A 28 22.562 -11.365 -3.113 1.00 0.00 O ATOM 497 CB SER A 28 24.533 -9.927 -4.363 1.00 0.00 C ATOM 498 OG SER A 28 23.953 -10.020 -5.652 1.00 0.00 O ATOM 0 H SER A 28 25.219 -8.854 -2.111 1.00 0.00 H new ATOM 0 HA SER A 28 22.938 -8.549 -3.945 1.00 0.00 H new ATOM 0 HB2 SER A 28 25.477 -9.386 -4.424 1.00 0.00 H new ATOM 0 HB3 SER A 28 24.761 -10.926 -3.991 1.00 0.00 H new ATOM 0 HG SER A 28 24.573 -10.477 -6.258 1.00 0.00 H new ATOM 504 N ARG A 29 22.199 -9.834 -1.504 1.00 0.00 N ATOM 505 CA ARG A 29 21.356 -10.716 -0.703 1.00 0.00 C ATOM 506 C ARG A 29 19.899 -10.627 -1.143 1.00 0.00 C ATOM 507 O ARG A 29 19.459 -9.601 -1.663 1.00 0.00 O ATOM 508 CB ARG A 29 21.478 -10.359 0.781 1.00 0.00 C ATOM 509 CG ARG A 29 21.718 -11.564 1.678 1.00 0.00 C ATOM 510 CD ARG A 29 20.829 -11.530 2.909 1.00 0.00 C ATOM 511 NE ARG A 29 21.269 -12.480 3.931 1.00 0.00 N ATOM 512 CZ ARG A 29 22.282 -12.255 4.764 1.00 0.00 C ATOM 513 NH1 ARG A 29 22.959 -11.115 4.706 1.00 0.00 N ATOM 514 NH2 ARG A 29 22.617 -13.172 5.662 1.00 0.00 N ATOM 0 H ARG A 29 22.334 -8.904 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 29 21.697 -11.740 -0.854 1.00 0.00 H new ATOM 0 HB2 ARG A 29 22.297 -9.651 0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 29 20.567 -9.854 1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 29 21.529 -12.479 1.117 1.00 0.00 H new ATOM 0 HG3 ARG A 29 22.764 -11.588 1.984 1.00 0.00 H new ATOM 0 HD2 ARG A 29 20.827 -10.523 3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 29 19.803 -11.757 2.621 1.00 0.00 H new ATOM 0 HE ARG A 29 20.770 -13.366 4.010 1.00 0.00 H new ATOM 0 HH11 ARG A 29 22.704 -10.405 4.020 1.00 0.00 H new ATOM 0 HH12 ARG A 29 23.734 -10.949 5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 29 22.098 -14.049 5.714 1.00 0.00 H new ATOM 0 HH22 ARG A 29 23.393 -13.000 6.301 1.00 0.00 H new ATOM 528 N THR A 30 19.156 -11.707 -0.932 1.00 0.00 N ATOM 529 CA THR A 30 17.748 -11.752 -1.306 1.00 0.00 C ATOM 530 C THR A 30 16.923 -10.811 -0.429 1.00 0.00 C ATOM 531 O THR A 30 16.882 -10.971 0.792 1.00 0.00 O ATOM 532 CB THR A 30 17.215 -13.179 -1.182 1.00 0.00 C ATOM 533 OG1 THR A 30 17.979 -14.072 -1.973 1.00 0.00 O ATOM 534 CG2 THR A 30 15.766 -13.316 -1.606 1.00 0.00 C ATOM 0 H THR A 30 19.506 -12.564 -0.503 1.00 0.00 H new ATOM 0 HA THR A 30 17.660 -11.426 -2.342 1.00 0.00 H new ATOM 0 HB THR A 30 17.293 -13.424 -0.123 1.00 0.00 H new ATOM 0 HG1 THR A 30 17.623 -14.980 -1.878 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.450 -14.353 -1.493 1.00 0.00 H new ATOM 0 HG22 THR A 30 15.142 -12.677 -0.981 1.00 0.00 H new ATOM 0 HG23 THR A 30 15.662 -13.016 -2.649 1.00 0.00 H new ATOM 542 N PRO A 31 16.250 -9.814 -1.033 1.00 0.00 N ATOM 543 CA PRO A 31 15.427 -8.857 -0.286 1.00 0.00 C ATOM 544 C PRO A 31 14.434 -9.555 0.635 1.00 0.00 C ATOM 545 O PRO A 31 13.834 -10.565 0.261 1.00 0.00 O ATOM 546 CB PRO A 31 14.688 -8.089 -1.384 1.00 0.00 C ATOM 547 CG PRO A 31 15.565 -8.201 -2.582 1.00 0.00 C ATOM 548 CD PRO A 31 16.235 -9.544 -2.484 1.00 0.00 C ATOM 0 HA PRO A 31 16.027 -8.221 0.365 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.704 -8.518 -1.573 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.533 -7.047 -1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.983 -8.122 -3.500 1.00 0.00 H new ATOM 0 HG3 PRO A 31 16.302 -7.398 -2.602 1.00 0.00 H new ATOM 0 HD2 PRO A 31 15.683 -10.309 -3.029 1.00 0.00 H new ATOM 0 HD3 PRO A 31 17.243 -9.522 -2.899 1.00 0.00 H new ATOM 556 N SER A 32 14.264 -9.019 1.837 1.00 0.00 N ATOM 557 CA SER A 32 13.341 -9.608 2.801 1.00 0.00 C ATOM 558 C SER A 32 11.896 -9.345 2.391 1.00 0.00 C ATOM 559 O SER A 32 11.612 -8.360 1.716 1.00 0.00 O ATOM 560 CB SER A 32 13.604 -9.010 4.184 1.00 0.00 C ATOM 561 OG SER A 32 13.631 -10.016 5.183 1.00 0.00 O ATOM 0 H SER A 32 14.748 -8.184 2.167 1.00 0.00 H new ATOM 0 HA SER A 32 13.500 -10.686 2.829 1.00 0.00 H new ATOM 0 HB2 SER A 32 14.554 -8.476 4.177 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.830 -8.280 4.420 1.00 0.00 H new ATOM 0 HG SER A 32 13.803 -9.605 6.056 1.00 0.00 H new ATOM 567 N ARG A 33 10.985 -10.219 2.812 1.00 0.00 N ATOM 568 CA ARG A 33 9.571 -10.051 2.487 1.00 0.00 C ATOM 569 C ARG A 33 8.956 -8.909 3.291 1.00 0.00 C ATOM 570 O ARG A 33 8.284 -8.035 2.744 1.00 0.00 O ATOM 571 CB ARG A 33 8.808 -11.350 2.759 1.00 0.00 C ATOM 572 CG ARG A 33 7.631 -11.571 1.822 1.00 0.00 C ATOM 573 CD ARG A 33 6.304 -11.440 2.549 1.00 0.00 C ATOM 574 NE ARG A 33 6.034 -12.588 3.409 1.00 0.00 N ATOM 575 CZ ARG A 33 4.917 -12.739 4.117 1.00 0.00 C ATOM 576 NH1 ARG A 33 3.962 -11.818 4.069 1.00 0.00 N ATOM 577 NH2 ARG A 33 4.753 -13.814 4.876 1.00 0.00 N ATOM 0 H ARG A 33 11.198 -11.043 3.374 1.00 0.00 H new ATOM 0 HA ARG A 33 9.495 -9.805 1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.496 -12.191 2.670 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.447 -11.341 3.787 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.673 -10.848 1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.704 -12.561 1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.308 -10.531 3.150 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.500 -11.337 1.820 1.00 0.00 H new ATOM 0 HE ARG A 33 6.744 -13.318 3.471 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.082 -10.989 3.487 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.108 -11.940 4.614 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.483 -14.525 4.917 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.897 -13.930 5.418 1.00 0.00 H new ATOM 591 N GLU A 34 9.198 -8.934 4.598 1.00 0.00 N ATOM 592 CA GLU A 34 8.683 -7.916 5.509 1.00 0.00 C ATOM 593 C GLU A 34 9.449 -6.606 5.377 1.00 0.00 C ATOM 594 O GLU A 34 8.861 -5.527 5.424 1.00 0.00 O ATOM 595 CB GLU A 34 8.763 -8.417 6.952 1.00 0.00 C ATOM 596 CG GLU A 34 7.570 -8.012 7.803 1.00 0.00 C ATOM 597 CD GLU A 34 7.631 -8.588 9.204 1.00 0.00 C ATOM 598 OE1 GLU A 34 8.216 -7.930 10.092 1.00 0.00 O ATOM 599 OE2 GLU A 34 7.098 -9.698 9.413 1.00 0.00 O ATOM 0 H GLU A 34 9.754 -9.657 5.054 1.00 0.00 H new ATOM 0 HA GLU A 34 7.643 -7.727 5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.843 -9.504 6.947 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.674 -8.033 7.411 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.524 -6.925 7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.652 -8.344 7.317 1.00 0.00 H new ATOM 606 N GLU A 35 10.768 -6.703 5.246 1.00 0.00 N ATOM 607 CA GLU A 35 11.608 -5.516 5.153 1.00 0.00 C ATOM 608 C GLU A 35 11.206 -4.617 3.989 1.00 0.00 C ATOM 609 O GLU A 35 10.985 -3.429 4.180 1.00 0.00 O ATOM 610 CB GLU A 35 13.079 -5.915 5.017 1.00 0.00 C ATOM 611 CG GLU A 35 14.046 -4.831 5.466 1.00 0.00 C ATOM 612 CD GLU A 35 14.407 -4.945 6.934 1.00 0.00 C ATOM 613 OE1 GLU A 35 15.257 -5.796 7.273 1.00 0.00 O ATOM 614 OE2 GLU A 35 13.841 -4.181 7.745 1.00 0.00 O ATOM 0 H GLU A 35 11.276 -7.587 5.202 1.00 0.00 H new ATOM 0 HA GLU A 35 11.467 -4.949 6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 35 13.258 -6.816 5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.284 -6.166 3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.955 -4.888 4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.602 -3.853 5.279 1.00 0.00 H new ATOM 621 N ILE A 36 11.097 -5.167 2.787 1.00 0.00 N ATOM 622 CA ILE A 36 10.711 -4.351 1.641 1.00 0.00 C ATOM 623 C ILE A 36 9.221 -4.022 1.683 1.00 0.00 C ATOM 624 O ILE A 36 8.831 -2.867 1.647 1.00 0.00 O ATOM 625 CB ILE A 36 11.060 -5.035 0.296 1.00 0.00 C ATOM 626 CG1 ILE A 36 10.768 -4.082 -0.878 1.00 0.00 C ATOM 627 CG2 ILE A 36 10.318 -6.357 0.147 1.00 0.00 C ATOM 628 CD1 ILE A 36 9.559 -4.453 -1.717 1.00 0.00 C ATOM 0 H ILE A 36 11.266 -6.152 2.581 1.00 0.00 H new ATOM 0 HA ILE A 36 11.284 -3.426 1.706 1.00 0.00 H new ATOM 0 HB ILE A 36 12.126 -5.263 0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.623 -3.076 -0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.644 -4.047 -1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.581 -6.816 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.598 -7.025 0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 36 9.243 -6.177 0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.434 -3.724 -2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.705 -5.444 -2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.668 -4.458 -1.089 1.00 0.00 H new ATOM 640 N LYS A 37 8.407 -5.054 1.767 1.00 0.00 N ATOM 641 CA LYS A 37 6.944 -4.909 1.808 1.00 0.00 C ATOM 642 C LYS A 37 6.461 -4.038 2.944 1.00 0.00 C ATOM 643 O LYS A 37 5.713 -3.087 2.719 1.00 0.00 O ATOM 644 CB LYS A 37 6.275 -6.282 1.878 1.00 0.00 C ATOM 645 CG LYS A 37 4.784 -6.249 1.588 1.00 0.00 C ATOM 646 CD LYS A 37 4.435 -7.047 0.341 1.00 0.00 C ATOM 647 CE LYS A 37 4.445 -6.171 -0.904 1.00 0.00 C ATOM 648 NZ LYS A 37 5.229 -6.787 -2.009 1.00 0.00 N ATOM 0 H LYS A 37 8.728 -6.021 1.809 1.00 0.00 H new ATOM 0 HA LYS A 37 6.659 -4.405 0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.760 -6.950 1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.434 -6.704 2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.238 -6.651 2.442 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.461 -5.216 1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.148 -7.863 0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.450 -7.499 0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.421 -6.001 -1.236 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.867 -5.196 -0.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.061 -6.260 -2.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.242 -6.756 -1.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.933 -7.776 -2.135 1.00 0.00 H new ATOM 662 N GLU A 38 6.849 -4.346 4.153 1.00 0.00 N ATOM 663 CA GLU A 38 6.392 -3.548 5.263 1.00 0.00 C ATOM 664 C GLU A 38 7.037 -2.168 5.231 1.00 0.00 C ATOM 665 O GLU A 38 6.343 -1.157 5.236 1.00 0.00 O ATOM 666 CB GLU A 38 6.635 -4.284 6.573 1.00 0.00 C ATOM 667 CG GLU A 38 7.817 -3.771 7.393 1.00 0.00 C ATOM 668 CD GLU A 38 7.911 -4.431 8.755 1.00 0.00 C ATOM 669 OE1 GLU A 38 7.144 -4.037 9.659 1.00 0.00 O ATOM 670 OE2 GLU A 38 8.751 -5.339 8.918 1.00 0.00 O ATOM 0 H GLU A 38 7.465 -5.123 4.393 1.00 0.00 H new ATOM 0 HA GLU A 38 5.317 -3.391 5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.734 -4.217 7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.795 -5.340 6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.741 -3.949 6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.725 -2.693 7.521 1.00 0.00 H new ATOM 677 N LEU A 39 8.354 -2.105 5.164 1.00 0.00 N ATOM 678 CA LEU A 39 9.010 -0.813 5.111 1.00 0.00 C ATOM 679 C LEU A 39 8.462 0.022 3.951 1.00 0.00 C ATOM 680 O LEU A 39 8.415 1.246 4.043 1.00 0.00 O ATOM 681 CB LEU A 39 10.538 -0.972 5.092 1.00 0.00 C ATOM 682 CG LEU A 39 11.276 -0.285 3.955 1.00 0.00 C ATOM 683 CD1 LEU A 39 12.702 0.046 4.374 1.00 0.00 C ATOM 684 CD2 LEU A 39 11.272 -1.157 2.710 1.00 0.00 C ATOM 0 H LEU A 39 8.977 -2.912 5.145 1.00 0.00 H new ATOM 0 HA LEU A 39 8.782 -0.257 6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.933 -0.592 6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.770 -2.036 5.056 1.00 0.00 H new ATOM 0 HG LEU A 39 10.760 0.646 3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.219 0.538 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 39 12.682 0.710 5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.227 -0.873 4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.805 -0.648 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.764 -2.105 2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.244 -1.345 2.401 1.00 0.00 H new ATOM 696 N ILE A 40 8.019 -0.632 2.873 1.00 0.00 N ATOM 697 CA ILE A 40 7.449 0.109 1.751 1.00 0.00 C ATOM 698 C ILE A 40 6.032 0.582 2.045 1.00 0.00 C ATOM 699 O ILE A 40 5.766 1.753 1.897 1.00 0.00 O ATOM 700 CB ILE A 40 7.502 -0.641 0.408 1.00 0.00 C ATOM 701 CG1 ILE A 40 6.619 -1.876 0.402 1.00 0.00 C ATOM 702 CG2 ILE A 40 8.940 -1.001 0.071 1.00 0.00 C ATOM 703 CD1 ILE A 40 6.712 -2.635 -0.901 1.00 0.00 C ATOM 0 H ILE A 40 8.043 -1.645 2.756 1.00 0.00 H new ATOM 0 HA ILE A 40 8.094 0.981 1.638 1.00 0.00 H new ATOM 0 HB ILE A 40 7.111 0.027 -0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.907 -2.531 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.584 -1.582 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.969 -1.531 -0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.535 -0.091 -0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.349 -1.639 0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.064 -3.510 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.398 -1.990 -1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.742 -2.954 -1.064 1.00 0.00 H new ATOM 715 N ALA A 41 5.127 -0.309 2.460 1.00 0.00 N ATOM 716 CA ALA A 41 3.737 0.094 2.759 1.00 0.00 C ATOM 717 C ALA A 41 3.637 0.967 3.990 1.00 0.00 C ATOM 718 O ALA A 41 2.983 2.023 3.996 1.00 0.00 O ATOM 719 CB ALA A 41 2.856 -1.114 2.990 1.00 0.00 C ATOM 0 H ALA A 41 5.321 -1.301 2.597 1.00 0.00 H new ATOM 0 HA ALA A 41 3.404 0.657 1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.839 -0.787 3.208 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.853 -1.738 2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.240 -1.689 3.833 1.00 0.00 H new ATOM 725 N LYS A 42 4.270 0.500 5.039 1.00 0.00 N ATOM 726 CA LYS A 42 4.239 1.175 6.302 1.00 0.00 C ATOM 727 C LYS A 42 4.693 2.597 6.099 1.00 0.00 C ATOM 728 O LYS A 42 3.966 3.541 6.424 1.00 0.00 O ATOM 729 CB LYS A 42 5.093 0.370 7.281 1.00 0.00 C ATOM 730 CG LYS A 42 4.691 -1.114 7.271 1.00 0.00 C ATOM 731 CD LYS A 42 5.145 -1.848 8.521 1.00 0.00 C ATOM 732 CE LYS A 42 4.345 -3.128 8.725 1.00 0.00 C ATOM 733 NZ LYS A 42 3.406 -3.020 9.877 1.00 0.00 N ATOM 0 H LYS A 42 4.820 -0.359 5.035 1.00 0.00 H new ATOM 0 HA LYS A 42 3.238 1.236 6.729 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.146 0.467 7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.979 0.775 8.287 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.608 -1.193 7.180 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.120 -1.598 6.394 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.206 -2.087 8.441 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.028 -1.200 9.390 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.783 -3.353 7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.029 -3.961 8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.375 -3.927 10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.732 -2.272 10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.454 -2.786 9.529 1.00 0.00 H new ATOM 747 N HIS A 43 5.828 2.741 5.445 1.00 0.00 N ATOM 748 CA HIS A 43 6.334 4.045 5.095 1.00 0.00 C ATOM 749 C HIS A 43 5.476 4.649 4.001 1.00 0.00 C ATOM 750 O HIS A 43 5.297 5.866 3.928 1.00 0.00 O ATOM 751 CB HIS A 43 7.749 3.935 4.589 1.00 0.00 C ATOM 752 CG HIS A 43 8.722 3.448 5.620 1.00 0.00 C ATOM 753 ND1 HIS A 43 9.980 2.962 5.496 1.00 0.00 N flip ATOM 754 CD2 HIS A 43 8.436 3.431 6.970 1.00 0.00 C flip ATOM 755 CE1 HIS A 43 10.426 2.664 6.760 1.00 0.00 C flip ATOM 756 NE2 HIS A 43 9.477 2.955 7.631 1.00 0.00 N flip ATOM 0 H HIS A 43 6.417 1.964 5.146 1.00 0.00 H new ATOM 0 HA HIS A 43 6.310 4.676 5.983 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.768 3.257 3.735 1.00 0.00 H new ATOM 0 HB3 HIS A 43 8.073 4.911 4.229 1.00 0.00 H new ATOM 0 HD2 HIS A 43 7.508 3.756 7.416 1.00 0.00 H new ATOM 0 HE1 HIS A 43 11.397 2.257 7.003 1.00 0.00 H new ATOM 0 HE2 HIS A 43 9.537 2.833 8.642 1.00 0.00 H new ATOM 765 N GLU A 44 4.939 3.776 3.149 1.00 0.00 N ATOM 766 CA GLU A 44 4.089 4.200 2.050 1.00 0.00 C ATOM 767 C GLU A 44 2.936 5.023 2.565 1.00 0.00 C ATOM 768 O GLU A 44 2.210 5.657 1.800 1.00 0.00 O ATOM 769 CB GLU A 44 3.603 3.012 1.223 1.00 0.00 C ATOM 770 CG GLU A 44 4.489 2.747 0.005 1.00 0.00 C ATOM 771 CD GLU A 44 4.599 1.284 -0.399 1.00 0.00 C ATOM 772 OE1 GLU A 44 3.810 0.458 0.092 1.00 0.00 O ATOM 773 OE2 GLU A 44 5.478 0.971 -1.229 1.00 0.00 O ATOM 0 H GLU A 44 5.082 2.768 3.204 1.00 0.00 H new ATOM 0 HA GLU A 44 4.684 4.826 1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.578 2.122 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.581 3.197 0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.099 3.314 -0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.489 3.128 0.211 1.00 0.00 H new ATOM 780 N GLY A 45 2.766 4.995 3.871 1.00 0.00 N ATOM 781 CA GLY A 45 1.697 5.723 4.480 1.00 0.00 C ATOM 782 C GLY A 45 0.602 4.754 4.843 1.00 0.00 C ATOM 783 O GLY A 45 -0.573 5.112 4.911 1.00 0.00 O ATOM 0 H GLY A 45 3.357 4.475 4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.052 6.243 5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.319 6.483 3.796 1.00 0.00 H new ATOM 787 N VAL A 46 0.997 3.478 4.980 1.00 0.00 N ATOM 788 CA VAL A 46 0.032 2.416 5.223 1.00 0.00 C ATOM 789 C VAL A 46 0.608 1.194 5.941 1.00 0.00 C ATOM 790 O VAL A 46 1.808 1.048 6.059 1.00 0.00 O ATOM 791 CB VAL A 46 -0.573 1.995 3.887 1.00 0.00 C ATOM 792 CG1 VAL A 46 -1.813 2.832 3.599 1.00 0.00 C ATOM 793 CG2 VAL A 46 0.465 2.139 2.761 1.00 0.00 C ATOM 0 H VAL A 46 1.967 3.168 4.926 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.723 2.821 5.896 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.867 0.947 3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.243 2.529 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.546 2.681 4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.538 3.886 3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.019 1.835 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.787 3.178 2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.326 1.506 2.976 1.00 0.00 H new ATOM 803 N ASP A 47 -0.278 0.308 6.399 1.00 0.00 N ATOM 804 CA ASP A 47 0.126 -0.920 7.095 1.00 0.00 C ATOM 805 C ASP A 47 0.532 -2.037 6.123 1.00 0.00 C ATOM 806 O ASP A 47 0.573 -1.842 4.910 1.00 0.00 O ATOM 807 CB ASP A 47 -1.017 -1.430 7.962 1.00 0.00 C ATOM 808 CG ASP A 47 -1.831 -0.313 8.587 1.00 0.00 C ATOM 809 OD1 ASP A 47 -1.238 0.727 8.941 1.00 0.00 O ATOM 810 OD2 ASP A 47 -3.062 -0.479 8.721 1.00 0.00 O ATOM 0 H ASP A 47 -1.287 0.417 6.301 1.00 0.00 H new ATOM 0 HA ASP A 47 0.991 -0.663 7.706 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.673 -2.056 7.357 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.612 -2.063 8.752 1.00 0.00 H new ATOM 815 N LYS A 48 0.826 -3.213 6.693 1.00 0.00 N ATOM 816 CA LYS A 48 1.232 -4.396 5.926 1.00 0.00 C ATOM 817 C LYS A 48 0.085 -4.978 5.096 1.00 0.00 C ATOM 818 O LYS A 48 0.310 -5.581 4.051 1.00 0.00 O ATOM 819 CB LYS A 48 1.781 -5.467 6.870 1.00 0.00 C ATOM 820 CG LYS A 48 0.808 -5.863 7.969 1.00 0.00 C ATOM 821 CD LYS A 48 1.259 -5.353 9.329 1.00 0.00 C ATOM 822 CE LYS A 48 0.657 -6.170 10.459 1.00 0.00 C ATOM 823 NZ LYS A 48 1.516 -7.327 10.826 1.00 0.00 N ATOM 0 H LYS A 48 0.789 -3.370 7.700 1.00 0.00 H new ATOM 0 HA LYS A 48 2.008 -4.077 5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.042 -6.352 6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.702 -5.102 7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.181 -5.465 7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.716 -6.949 8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.347 -5.391 9.391 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.970 -4.308 9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.514 -5.533 11.332 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.328 -6.529 10.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.070 -7.859 11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.632 -7.949 10.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.448 -6.983 11.134 1.00 0.00 H new ATOM 837 N GLU A 49 -1.142 -4.816 5.566 1.00 0.00 N ATOM 838 CA GLU A 49 -2.297 -5.344 4.843 1.00 0.00 C ATOM 839 C GLU A 49 -2.517 -4.541 3.562 1.00 0.00 C ATOM 840 O GLU A 49 -2.865 -5.080 2.513 1.00 0.00 O ATOM 841 CB GLU A 49 -3.548 -5.289 5.723 1.00 0.00 C ATOM 842 CG GLU A 49 -3.628 -6.407 6.750 1.00 0.00 C ATOM 843 CD GLU A 49 -2.395 -6.489 7.624 1.00 0.00 C ATOM 844 OE1 GLU A 49 -2.242 -5.633 8.519 1.00 0.00 O ATOM 845 OE2 GLU A 49 -1.577 -7.409 7.411 1.00 0.00 O ATOM 0 H GLU A 49 -1.366 -4.330 6.434 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.104 -6.385 4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.574 -4.330 6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.431 -5.331 5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.505 -6.254 7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.767 -7.358 6.235 1.00 0.00 H new ATOM 852 N LEU A 50 -2.326 -3.237 3.691 1.00 0.00 N ATOM 853 CA LEU A 50 -2.496 -2.275 2.631 1.00 0.00 C ATOM 854 C LEU A 50 -1.348 -2.254 1.632 1.00 0.00 C ATOM 855 O LEU A 50 -1.253 -1.305 0.871 1.00 0.00 O ATOM 856 CB LEU A 50 -2.627 -0.869 3.252 1.00 0.00 C ATOM 857 CG LEU A 50 -2.966 -0.787 4.754 1.00 0.00 C ATOM 858 CD1 LEU A 50 -3.426 0.618 5.109 1.00 0.00 C ATOM 859 CD2 LEU A 50 -4.031 -1.801 5.152 1.00 0.00 C ATOM 0 H LEU A 50 -2.038 -2.812 4.572 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.392 -2.568 2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.688 -0.340 3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.398 -0.328 2.702 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.059 -1.025 5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.663 0.666 6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.632 1.329 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.314 0.868 4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.240 -1.710 6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.943 -1.612 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.673 -2.808 4.938 1.00 0.00 H new ATOM 871 N VAL A 51 -0.461 -3.247 1.609 1.00 0.00 N ATOM 872 CA VAL A 51 0.652 -3.159 0.663 1.00 0.00 C ATOM 873 C VAL A 51 0.429 -3.878 -0.667 1.00 0.00 C ATOM 874 O VAL A 51 0.435 -5.106 -0.741 1.00 0.00 O ATOM 875 CB VAL A 51 1.942 -3.742 1.269 1.00 0.00 C ATOM 876 CG1 VAL A 51 3.149 -2.956 0.791 1.00 0.00 C ATOM 877 CG2 VAL A 51 1.873 -3.780 2.789 1.00 0.00 C ATOM 0 H VAL A 51 -0.483 -4.079 2.199 1.00 0.00 H new ATOM 0 HA VAL A 51 0.733 -2.090 0.464 1.00 0.00 H new ATOM 0 HB VAL A 51 2.046 -4.772 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.054 -3.379 1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.211 -3.009 -0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.050 -1.915 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.799 -4.197 3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.737 -2.769 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.033 -4.402 3.100 1.00 0.00 H new ATOM 887 N ILE A 52 0.368 -3.075 -1.727 1.00 0.00 N ATOM 888 CA ILE A 52 0.299 -3.569 -3.094 1.00 0.00 C ATOM 889 C ILE A 52 1.303 -2.783 -3.938 1.00 0.00 C ATOM 890 O ILE A 52 1.054 -1.620 -4.245 1.00 0.00 O ATOM 891 CB ILE A 52 -1.127 -3.481 -3.686 1.00 0.00 C ATOM 892 CG1 ILE A 52 -1.185 -4.127 -5.074 1.00 0.00 C ATOM 893 CG2 ILE A 52 -1.633 -2.053 -3.735 1.00 0.00 C ATOM 894 CD1 ILE A 52 -0.533 -3.307 -6.171 1.00 0.00 C ATOM 0 H ILE A 52 0.365 -2.057 -1.658 1.00 0.00 H new ATOM 0 HA ILE A 52 0.553 -4.629 -3.099 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.787 -4.037 -3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.701 -5.102 -5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.228 -4.301 -5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.638 -2.037 -4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.657 -1.641 -2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.969 -1.453 -4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.618 -3.836 -7.120 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.031 -2.341 -6.248 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.520 -3.154 -5.934 1.00 0.00 H new ATOM 906 N VAL A 53 2.434 -3.363 -4.314 1.00 0.00 N ATOM 907 CA VAL A 53 3.395 -2.593 -5.104 1.00 0.00 C ATOM 908 C VAL A 53 3.778 -3.296 -6.405 1.00 0.00 C ATOM 909 O VAL A 53 4.440 -4.333 -6.401 1.00 0.00 O ATOM 910 CB VAL A 53 4.669 -2.291 -4.279 1.00 0.00 C ATOM 911 CG1 VAL A 53 4.344 -1.404 -3.070 1.00 0.00 C ATOM 912 CG2 VAL A 53 5.336 -3.585 -3.836 1.00 0.00 C ATOM 0 H VAL A 53 2.706 -4.322 -4.099 1.00 0.00 H new ATOM 0 HA VAL A 53 2.902 -1.657 -5.366 1.00 0.00 H new ATOM 0 HB VAL A 53 5.365 -1.746 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.257 -1.207 -2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.919 -0.461 -3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.625 -1.913 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.230 -3.354 -3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.644 -4.159 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.613 -4.170 -4.713 1.00 0.00 H new ATOM 922 N ASP A 54 3.364 -2.689 -7.519 1.00 0.00 N ATOM 923 CA ASP A 54 3.660 -3.203 -8.853 1.00 0.00 C ATOM 924 C ASP A 54 4.531 -2.229 -9.632 1.00 0.00 C ATOM 925 O ASP A 54 4.434 -1.015 -9.450 1.00 0.00 O ATOM 926 CB ASP A 54 2.366 -3.482 -9.619 1.00 0.00 C ATOM 927 CG ASP A 54 2.400 -4.809 -10.351 1.00 0.00 C ATOM 928 OD1 ASP A 54 3.404 -5.083 -11.041 1.00 0.00 O ATOM 929 OD2 ASP A 54 1.421 -5.577 -10.233 1.00 0.00 O ATOM 0 H ASP A 54 2.815 -1.829 -7.519 1.00 0.00 H new ATOM 0 HA ASP A 54 4.209 -4.137 -8.739 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.527 -3.476 -8.923 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.192 -2.680 -10.336 1.00 0.00 H new ATOM 934 N ASN A 55 5.361 -2.768 -10.517 1.00 0.00 N ATOM 935 CA ASN A 55 6.237 -1.949 -11.344 1.00 0.00 C ATOM 936 C ASN A 55 7.118 -1.043 -10.493 1.00 0.00 C ATOM 937 O ASN A 55 6.730 -0.602 -9.412 1.00 0.00 O ATOM 938 CB ASN A 55 5.409 -1.105 -12.313 1.00 0.00 C ATOM 939 CG ASN A 55 4.763 -1.939 -13.401 1.00 0.00 C ATOM 940 OD1 ASN A 55 3.567 -2.224 -13.353 1.00 0.00 O ATOM 941 ND2 ASN A 55 5.555 -2.333 -14.393 1.00 0.00 N ATOM 0 H ASN A 55 5.445 -3.771 -10.680 1.00 0.00 H new ATOM 0 HA ASN A 55 6.885 -2.619 -11.909 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.635 -0.575 -11.758 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.048 -0.350 -12.770 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.176 -2.895 -15.155 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.541 -2.073 -14.392 1.00 0.00 H new ATOM 948 N ASN A 56 8.312 -0.773 -10.991 1.00 0.00 N ATOM 949 CA ASN A 56 9.258 0.080 -10.281 1.00 0.00 C ATOM 950 C ASN A 56 10.245 0.750 -11.238 1.00 0.00 C ATOM 951 O ASN A 56 11.087 0.084 -11.843 1.00 0.00 O ATOM 952 CB ASN A 56 10.018 -0.739 -9.239 1.00 0.00 C ATOM 953 CG ASN A 56 9.559 -0.444 -7.825 1.00 0.00 C ATOM 954 OD1 ASN A 56 8.570 -1.001 -7.350 1.00 0.00 O ATOM 955 ND2 ASN A 56 10.280 0.440 -7.145 1.00 0.00 N ATOM 0 H ASN A 56 8.652 -1.130 -11.884 1.00 0.00 H new ATOM 0 HA ASN A 56 8.689 0.866 -9.785 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.885 -1.801 -9.447 1.00 0.00 H new ATOM 0 HB3 ASN A 56 11.084 -0.529 -9.323 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.021 0.682 -6.188 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.093 0.877 -7.579 1.00 0.00 H new ATOM 962 N LYS A 57 10.153 2.074 -11.348 1.00 0.00 N ATOM 963 CA LYS A 57 11.054 2.839 -12.206 1.00 0.00 C ATOM 964 C LYS A 57 12.393 3.054 -11.496 1.00 0.00 C ATOM 965 O LYS A 57 12.458 3.738 -10.481 1.00 0.00 O ATOM 966 CB LYS A 57 10.417 4.191 -12.559 1.00 0.00 C ATOM 967 CG LYS A 57 10.314 5.154 -11.380 1.00 0.00 C ATOM 968 CD LYS A 57 8.969 5.864 -11.333 1.00 0.00 C ATOM 969 CE LYS A 57 8.981 7.025 -10.342 1.00 0.00 C ATOM 970 NZ LYS A 57 8.123 8.151 -10.800 1.00 0.00 N ATOM 0 H LYS A 57 9.463 2.639 -10.853 1.00 0.00 H new ATOM 0 HA LYS A 57 11.230 2.282 -13.126 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.002 4.661 -13.349 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.419 4.017 -12.961 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.466 4.605 -10.451 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.111 5.894 -11.447 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.718 6.235 -12.327 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.191 5.153 -11.053 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.634 6.676 -9.369 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.003 7.378 -10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.448 9.036 -10.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.183 8.235 -11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.137 7.970 -10.524 1.00 0.00 H new ATOM 984 N GLN A 58 13.463 2.465 -12.024 1.00 0.00 N ATOM 985 CA GLN A 58 14.781 2.599 -11.405 1.00 0.00 C ATOM 986 C GLN A 58 15.580 3.752 -12.014 1.00 0.00 C ATOM 987 O GLN A 58 16.057 3.657 -13.146 1.00 0.00 O ATOM 988 CB GLN A 58 15.565 1.294 -11.558 1.00 0.00 C ATOM 989 CG GLN A 58 16.549 1.040 -10.428 1.00 0.00 C ATOM 990 CD GLN A 58 17.881 0.509 -10.923 1.00 0.00 C ATOM 991 OE1 GLN A 58 17.934 -0.465 -11.675 1.00 0.00 O ATOM 992 NE2 GLN A 58 18.968 1.150 -10.503 1.00 0.00 N ATOM 0 H GLN A 58 13.446 1.896 -12.870 1.00 0.00 H new ATOM 0 HA GLN A 58 14.628 2.818 -10.348 1.00 0.00 H new ATOM 0 HB2 GLN A 58 14.863 0.462 -11.611 1.00 0.00 H new ATOM 0 HB3 GLN A 58 16.107 1.314 -12.503 1.00 0.00 H new ATOM 0 HG2 GLN A 58 16.713 1.967 -9.879 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.115 0.327 -9.727 1.00 0.00 H new ATOM 0 HE21 GLN A 58 18.878 1.953 -9.880 1.00 0.00 H new ATOM 0 HE22 GLN A 58 19.892 0.839 -10.804 1.00 0.00 H new ATOM 1001 N LEU A 59 15.735 4.839 -11.255 1.00 0.00 N ATOM 1002 CA LEU A 59 16.493 5.998 -11.727 1.00 0.00 C ATOM 1003 C LEU A 59 17.681 6.300 -10.812 1.00 0.00 C ATOM 1004 O LEU A 59 17.505 6.696 -9.664 1.00 0.00 O ATOM 1005 CB LEU A 59 15.593 7.242 -11.859 1.00 0.00 C ATOM 1006 CG LEU A 59 14.505 7.428 -10.789 1.00 0.00 C ATOM 1007 CD1 LEU A 59 13.423 6.372 -10.921 1.00 0.00 C ATOM 1008 CD2 LEU A 59 15.099 7.413 -9.390 1.00 0.00 C ATOM 0 H LEU A 59 15.348 4.940 -10.317 1.00 0.00 H new ATOM 0 HA LEU A 59 16.878 5.747 -12.715 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.231 8.125 -11.851 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.108 7.208 -12.834 1.00 0.00 H new ATOM 0 HG LEU A 59 14.049 8.405 -10.951 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.667 6.528 -10.152 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.960 6.446 -11.905 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.864 5.382 -10.801 1.00 0.00 H new ATOM 0 HD21 LEU A 59 14.304 7.547 -8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 59 15.597 6.459 -9.216 1.00 0.00 H new ATOM 0 HD23 LEU A 59 15.822 8.223 -9.293 1.00 0.00 H new ATOM 1020 N THR A 60 18.898 6.121 -11.332 1.00 0.00 N ATOM 1021 CA THR A 60 20.121 6.390 -10.562 1.00 0.00 C ATOM 1022 C THR A 60 21.304 5.609 -11.116 1.00 0.00 C ATOM 1023 O THR A 60 22.340 6.184 -11.449 1.00 0.00 O ATOM 1024 CB THR A 60 19.945 6.045 -9.075 1.00 0.00 C ATOM 1025 OG1 THR A 60 21.203 5.967 -8.428 1.00 0.00 O ATOM 1026 CG2 THR A 60 19.229 4.732 -8.835 1.00 0.00 C ATOM 0 H THR A 60 19.066 5.791 -12.283 1.00 0.00 H new ATOM 0 HA THR A 60 20.317 7.458 -10.655 1.00 0.00 H new ATOM 0 HB THR A 60 19.333 6.850 -8.668 1.00 0.00 H new ATOM 0 HG1 THR A 60 21.446 6.849 -8.077 1.00 0.00 H new ATOM 0 HG21 THR A 60 19.142 4.556 -7.763 1.00 0.00 H new ATOM 0 HG22 THR A 60 18.234 4.774 -9.278 1.00 0.00 H new ATOM 0 HG23 THR A 60 19.795 3.920 -9.291 1.00 0.00 H new ATOM 1034 N GLY A 61 21.154 4.293 -11.191 1.00 0.00 N ATOM 1035 CA GLY A 61 22.226 3.454 -11.679 1.00 0.00 C ATOM 1036 C GLY A 61 22.994 2.803 -10.545 1.00 0.00 C ATOM 1037 O GLY A 61 23.689 1.807 -10.745 1.00 0.00 O ATOM 0 H GLY A 61 20.307 3.793 -10.922 1.00 0.00 H new ATOM 0 HA2 GLY A 61 21.816 2.682 -12.330 1.00 0.00 H new ATOM 0 HA3 GLY A 61 22.908 4.051 -12.284 1.00 0.00 H new ATOM 1041 N LYS A 62 22.864 3.369 -9.344 1.00 0.00 N ATOM 1042 CA LYS A 62 23.545 2.840 -8.169 1.00 0.00 C ATOM 1043 C LYS A 62 23.130 1.393 -7.915 1.00 0.00 C ATOM 1044 O LYS A 62 23.824 0.464 -8.326 1.00 0.00 O ATOM 1045 CB LYS A 62 23.237 3.701 -6.941 1.00 0.00 C ATOM 1046 CG LYS A 62 24.030 4.998 -6.894 1.00 0.00 C ATOM 1047 CD LYS A 62 23.378 6.016 -5.970 1.00 0.00 C ATOM 1048 CE LYS A 62 23.555 5.634 -4.509 1.00 0.00 C ATOM 1049 NZ LYS A 62 24.969 5.774 -4.067 1.00 0.00 N ATOM 0 H LYS A 62 22.292 4.194 -9.163 1.00 0.00 H new ATOM 0 HA LYS A 62 24.619 2.866 -8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 62 22.172 3.935 -6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 62 23.447 3.124 -6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 62 25.045 4.793 -6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 62 24.109 5.414 -7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 62 23.813 7.000 -6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 62 22.316 6.092 -6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 62 22.917 6.264 -3.889 1.00 0.00 H new ATOM 0 HE3 LYS A 62 23.228 4.605 -4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 25.013 5.738 -3.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 25.536 4.998 -4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 25.348 6.684 -4.398 1.00 0.00 H new ATOM 1063 N HIS A 63 21.994 1.202 -7.244 1.00 0.00 N ATOM 1064 CA HIS A 63 21.507 -0.143 -6.953 1.00 0.00 C ATOM 1065 C HIS A 63 20.218 -0.128 -6.124 1.00 0.00 C ATOM 1066 O HIS A 63 19.936 -1.084 -5.405 1.00 0.00 O ATOM 1067 CB HIS A 63 22.581 -0.949 -6.218 1.00 0.00 C ATOM 1068 CG HIS A 63 23.313 -1.913 -7.099 1.00 0.00 C ATOM 1069 ND1 HIS A 63 22.714 -2.579 -8.147 1.00 0.00 N ATOM 1070 CD2 HIS A 63 24.604 -2.322 -7.084 1.00 0.00 C ATOM 1071 CE1 HIS A 63 23.604 -3.355 -8.740 1.00 0.00 C ATOM 1072 NE2 HIS A 63 24.759 -3.217 -8.114 1.00 0.00 N ATOM 0 H HIS A 63 21.400 1.954 -6.895 1.00 0.00 H new ATOM 0 HA HIS A 63 21.281 -0.614 -7.910 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.298 -0.261 -5.772 1.00 0.00 H new ATOM 0 HB3 HIS A 63 22.115 -1.499 -5.400 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.369 -2.004 -6.391 1.00 0.00 H new ATOM 0 HE1 HIS A 63 23.419 -3.993 -9.591 1.00 0.00 H new ATOM 0 HE2 HIS A 63 25.626 -3.697 -8.356 1.00 0.00 H new ATOM 1081 N GLU A 64 19.434 0.944 -6.222 1.00 0.00 N ATOM 1082 CA GLU A 64 18.207 1.052 -5.494 1.00 0.00 C ATOM 1083 C GLU A 64 17.085 1.208 -6.497 1.00 10.00 C ATOM 1084 O GLU A 64 17.324 1.618 -7.635 1.00 10.00 O ATOM 1085 CB GLU A 64 18.317 2.211 -4.518 1.00 0.00 C ATOM 1086 CG GLU A 64 19.629 2.155 -3.742 1.00 0.00 C ATOM 1087 CD GLU A 64 20.056 3.507 -3.205 1.00 0.00 C ATOM 1088 OE1 GLU A 64 19.499 4.530 -3.658 1.00 0.00 O ATOM 1089 OE2 GLU A 64 20.952 3.543 -2.333 1.00 0.00 O ATOM 0 H GLU A 64 19.645 1.750 -6.810 1.00 0.00 H new ATOM 0 HA GLU A 64 17.995 0.164 -4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 64 18.252 3.154 -5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.478 2.185 -3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 64 19.524 1.457 -2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.412 1.764 -4.391 1.00 0.00 H new ATOM 1096 N ILE A 65 15.889 0.813 -6.126 1.00 10.00 N ATOM 1097 CA ILE A 65 14.784 0.849 -7.064 1.00 0.00 C ATOM 1098 C ILE A 65 13.713 1.836 -6.654 1.00 0.00 C ATOM 1099 O ILE A 65 13.301 1.891 -5.499 1.00 0.00 O ATOM 1100 CB ILE A 65 14.161 -0.558 -7.187 1.00 0.00 C ATOM 1101 CG1 ILE A 65 13.522 -0.754 -8.560 1.00 0.00 C ATOM 1102 CG2 ILE A 65 13.142 -0.799 -6.083 1.00 0.00 C ATOM 1103 CD1 ILE A 65 12.805 -2.079 -8.695 1.00 0.00 C ATOM 0 H ILE A 65 15.655 0.467 -5.195 1.00 10.00 H new ATOM 0 HA ILE A 65 15.184 1.174 -8.024 1.00 0.00 H new ATOM 0 HB ILE A 65 14.962 -1.289 -7.077 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.816 0.055 -8.745 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.294 -0.685 -9.327 1.00 0.00 H new ATOM 0 HG21 ILE A 65 12.717 -1.797 -6.191 1.00 0.00 H new ATOM 0 HG22 ILE A 65 13.631 -0.716 -5.112 1.00 0.00 H new ATOM 0 HG23 ILE A 65 12.347 -0.057 -6.153 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.372 -2.159 -9.692 1.00 0.00 H new ATOM 0 HD12 ILE A 65 13.513 -2.893 -8.541 1.00 0.00 H new ATOM 0 HD13 ILE A 65 12.012 -2.141 -7.950 1.00 0.00 H new ATOM 1115 N GLU A 66 13.269 2.604 -7.638 1.00 0.00 N ATOM 1116 CA GLU A 66 12.240 3.602 -7.441 1.00 0.00 C ATOM 1117 C GLU A 66 11.027 3.244 -8.262 1.00 0.00 C ATOM 1118 O GLU A 66 11.104 2.424 -9.173 1.00 0.00 O ATOM 1119 CB GLU A 66 12.719 4.990 -7.874 1.00 0.00 C ATOM 1120 CG GLU A 66 11.723 6.093 -7.554 1.00 0.00 C ATOM 1121 CD GLU A 66 12.304 7.482 -7.704 1.00 0.00 C ATOM 1122 OE1 GLU A 66 13.071 7.905 -6.812 1.00 0.00 O ATOM 1123 OE2 GLU A 66 11.993 8.151 -8.712 1.00 0.00 O ATOM 0 H GLU A 66 13.616 2.549 -8.596 1.00 0.00 H new ATOM 0 HA GLU A 66 11.998 3.625 -6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.666 5.210 -7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.911 4.983 -8.947 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.858 5.995 -8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.364 5.965 -6.533 1.00 0.00 H new ATOM 1130 N GLY A 67 9.915 3.856 -7.938 1.00 0.00 N ATOM 1131 CA GLY A 67 8.707 3.591 -8.672 1.00 0.00 C ATOM 1132 C GLY A 67 7.512 4.167 -7.981 1.00 0.00 C ATOM 1133 O GLY A 67 7.631 5.106 -7.188 1.00 0.00 O ATOM 0 H GLY A 67 9.823 4.533 -7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.788 4.012 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.579 2.515 -8.788 1.00 0.00 H new ATOM 1137 N TYR A 68 6.362 3.592 -8.243 1.00 0.00 N ATOM 1138 CA TYR A 68 5.159 4.051 -7.603 1.00 0.00 C ATOM 1139 C TYR A 68 4.523 2.897 -6.876 1.00 0.00 C ATOM 1140 O TYR A 68 4.400 1.791 -7.404 1.00 0.00 O ATOM 1141 CB TYR A 68 4.188 4.642 -8.627 1.00 0.00 C ATOM 1142 CG TYR A 68 4.243 6.149 -8.716 1.00 0.00 C ATOM 1143 CD1 TYR A 68 3.917 6.942 -7.620 1.00 0.00 C ATOM 1144 CD2 TYR A 68 4.618 6.783 -9.894 1.00 0.00 C ATOM 1145 CE1 TYR A 68 3.965 8.321 -7.698 1.00 0.00 C ATOM 1146 CE2 TYR A 68 4.668 8.163 -9.980 1.00 0.00 C ATOM 1147 CZ TYR A 68 4.341 8.926 -8.879 1.00 0.00 C ATOM 1148 OH TYR A 68 4.388 10.298 -8.959 1.00 0.00 O ATOM 0 H TYR A 68 6.237 2.813 -8.889 1.00 0.00 H new ATOM 0 HA TYR A 68 5.407 4.839 -6.892 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.407 4.221 -9.608 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.173 4.339 -8.370 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.622 6.472 -6.693 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.875 6.188 -10.758 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.709 8.922 -6.838 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.961 8.640 -10.904 1.00 0.00 H new ATOM 0 HH TYR A 68 4.672 10.564 -9.858 1.00 0.00 H new ATOM 1158 N THR A 69 4.141 3.165 -5.651 1.00 0.00 N ATOM 1159 CA THR A 69 3.531 2.156 -4.812 1.00 0.00 C ATOM 1160 C THR A 69 2.031 2.407 -4.694 1.00 0.00 C ATOM 1161 O THR A 69 1.581 3.551 -4.671 1.00 0.00 O ATOM 1162 CB THR A 69 4.197 2.144 -3.422 1.00 0.00 C ATOM 1163 OG1 THR A 69 3.238 1.995 -2.404 1.00 0.00 O ATOM 1164 CG2 THR A 69 5.019 3.377 -3.140 1.00 0.00 C ATOM 0 H THR A 69 4.242 4.079 -5.209 1.00 0.00 H new ATOM 0 HA THR A 69 3.680 1.178 -5.269 1.00 0.00 H new ATOM 0 HB THR A 69 4.873 1.289 -3.433 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.789 1.129 -2.502 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.458 3.302 -2.145 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.813 3.463 -3.882 1.00 0.00 H new ATOM 0 HG23 THR A 69 4.380 4.259 -3.189 1.00 0.00 H new ATOM 1172 N LYS A 70 1.270 1.331 -4.613 1.00 0.00 N ATOM 1173 CA LYS A 70 -0.182 1.402 -4.478 1.00 0.00 C ATOM 1174 C LYS A 70 -0.569 0.690 -3.195 1.00 0.00 C ATOM 1175 O LYS A 70 0.054 -0.305 -2.839 1.00 0.00 O ATOM 1176 CB LYS A 70 -0.847 0.736 -5.675 1.00 0.00 C ATOM 1177 CG LYS A 70 -2.061 1.487 -6.200 1.00 0.00 C ATOM 1178 CD LYS A 70 -2.968 0.578 -7.014 1.00 0.00 C ATOM 1179 CE LYS A 70 -2.254 0.036 -8.243 1.00 0.00 C ATOM 1180 NZ LYS A 70 -3.210 -0.352 -9.316 1.00 0.00 N ATOM 0 H LYS A 70 1.637 0.380 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.511 2.440 -4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.116 0.640 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.149 -0.274 -5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.620 1.907 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.734 2.324 -6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.306 -0.251 -6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.857 1.129 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.566 0.790 -8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.654 -0.829 -7.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.683 -0.716 -10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.850 -1.090 -8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.766 0.479 -9.603 1.00 0.00 H new ATOM 1194 N ILE A 71 -1.543 1.201 -2.456 1.00 0.00 N ATOM 1195 CA ILE A 71 -1.890 0.539 -1.198 1.00 0.00 C ATOM 1196 C ILE A 71 -3.380 0.406 -0.941 1.00 0.00 C ATOM 1197 O ILE A 71 -4.162 1.336 -1.218 1.00 0.00 O ATOM 1198 CB ILE A 71 -1.197 1.210 0.005 1.00 0.00 C ATOM 1199 CG1 ILE A 71 0.148 0.526 0.272 1.00 0.00 C ATOM 1200 CG2 ILE A 71 -2.075 1.180 1.242 1.00 0.00 C ATOM 1201 CD1 ILE A 71 1.338 1.427 0.084 1.00 0.00 C ATOM 0 H ILE A 71 -2.087 2.032 -2.686 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.515 -0.478 -1.312 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.022 2.258 -0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.153 0.142 1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.246 -0.333 -0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.554 1.662 2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.005 1.711 1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.297 0.146 1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.252 0.871 0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.360 1.791 -0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.265 2.273 0.767 1.00 0.00 H new ATOM 1213 N TYR A 72 -3.748 -0.739 -0.327 1.00 0.00 N ATOM 1214 CA TYR A 72 -5.145 -0.981 0.057 1.00 0.00 C ATOM 1215 C TYR A 72 -5.309 -1.036 1.587 1.00 0.00 C ATOM 1216 O TYR A 72 -4.776 -1.927 2.280 1.00 0.00 O ATOM 1217 CB TYR A 72 -5.747 -2.241 -0.590 1.00 0.00 C ATOM 1218 CG TYR A 72 -4.778 -3.349 -0.944 1.00 0.00 C ATOM 1219 CD1 TYR A 72 -3.922 -3.898 0.002 1.00 0.00 C ATOM 1220 CD2 TYR A 72 -4.751 -3.873 -2.232 1.00 0.00 C ATOM 1221 CE1 TYR A 72 -3.061 -4.928 -0.328 1.00 0.00 C ATOM 1222 CE2 TYR A 72 -3.899 -4.907 -2.566 1.00 0.00 C ATOM 1223 CZ TYR A 72 -3.055 -5.430 -1.610 1.00 0.00 C ATOM 1224 OH TYR A 72 -2.204 -6.460 -1.940 1.00 0.00 O ATOM 0 H TYR A 72 -3.105 -1.495 -0.092 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.705 -0.129 -0.328 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.497 -2.648 0.089 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.269 -1.941 -1.499 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.929 -3.514 1.011 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -5.408 -3.464 -2.985 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.395 -5.338 0.417 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.894 -5.304 -3.571 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.298 -6.246 -1.634 1.00 0.00 H new ATOM 1234 N ALA A 73 -6.055 -0.064 2.109 1.00 0.00 N ATOM 1235 CA ALA A 73 -6.309 0.032 3.541 1.00 0.00 C ATOM 1236 C ALA A 73 -7.554 -0.757 3.945 1.00 0.00 C ATOM 1237 O ALA A 73 -7.847 -0.903 5.131 1.00 0.00 O ATOM 1238 CB ALA A 73 -6.452 1.488 3.956 1.00 0.00 C ATOM 0 H ALA A 73 -6.495 0.671 1.556 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.455 -0.404 4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.641 1.544 5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.533 2.025 3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.284 1.940 3.416 1.00 0.00 H new ATOM 1244 N ASP A 74 -8.287 -1.260 2.953 1.00 0.00 N ATOM 1245 CA ASP A 74 -9.500 -2.027 3.211 1.00 0.00 C ATOM 1246 C ASP A 74 -9.184 -3.496 3.499 1.00 0.00 C ATOM 1247 O ASP A 74 -10.069 -4.263 3.874 1.00 0.00 O ATOM 1248 CB ASP A 74 -10.451 -1.928 2.017 1.00 0.00 C ATOM 1249 CG ASP A 74 -9.858 -2.519 0.753 1.00 0.00 C ATOM 1250 OD1 ASP A 74 -8.980 -1.867 0.148 1.00 0.00 O ATOM 1251 OD2 ASP A 74 -10.271 -3.634 0.369 1.00 0.00 O ATOM 0 H ASP A 74 -8.061 -1.149 1.965 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.978 -1.603 4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.382 -2.444 2.254 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.702 -0.882 1.842 1.00 0.00 H new ATOM 1256 N LYS A 75 -7.923 -3.884 3.319 1.00 0.00 N ATOM 1257 CA LYS A 75 -7.514 -5.262 3.560 1.00 0.00 C ATOM 1258 C LYS A 75 -7.661 -5.638 5.037 1.00 0.00 C ATOM 1259 O LYS A 75 -8.268 -6.659 5.360 1.00 0.00 O ATOM 1260 CB LYS A 75 -6.073 -5.483 3.092 1.00 0.00 C ATOM 1261 CG LYS A 75 -5.578 -6.906 3.295 1.00 0.00 C ATOM 1262 CD LYS A 75 -4.666 -7.349 2.162 1.00 0.00 C ATOM 1263 CE LYS A 75 -5.375 -8.309 1.219 1.00 0.00 C ATOM 1264 NZ LYS A 75 -4.574 -8.574 -0.009 1.00 0.00 N ATOM 0 H LYS A 75 -7.173 -3.267 3.009 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.173 -5.911 2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.001 -5.230 2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.416 -4.799 3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.042 -6.974 4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.430 -7.582 3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.325 -6.476 1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.779 -7.831 2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.569 -9.249 1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.343 -7.894 0.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.091 -9.232 -0.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.410 -7.681 -0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.660 -8.994 0.256 1.00 0.00 H new ATOM 1278 N PRO A 76 -7.123 -4.817 5.962 1.00 0.00 N ATOM 1279 CA PRO A 76 -7.225 -5.088 7.397 1.00 0.00 C ATOM 1280 C PRO A 76 -8.620 -4.794 7.927 1.00 0.00 C ATOM 1281 O PRO A 76 -9.199 -5.593 8.664 1.00 0.00 O ATOM 1282 CB PRO A 76 -6.210 -4.127 8.014 1.00 0.00 C ATOM 1283 CG PRO A 76 -6.153 -2.985 7.062 1.00 0.00 C ATOM 1284 CD PRO A 76 -6.388 -3.565 5.691 1.00 0.00 C ATOM 0 HA PRO A 76 -7.035 -6.135 7.634 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.523 -3.802 9.006 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.234 -4.599 8.127 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.910 -2.239 7.304 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.186 -2.485 7.112 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.968 -2.888 5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.449 -3.756 5.171 1.00 0.00 H new ATOM 1292 N SER A 77 -9.159 -3.645 7.534 1.00 0.00 N ATOM 1293 CA SER A 77 -10.495 -3.246 7.955 1.00 0.00 C ATOM 1294 C SER A 77 -11.515 -4.290 7.521 1.00 0.00 C ATOM 1295 O SER A 77 -12.529 -4.498 8.183 1.00 0.00 O ATOM 1296 CB SER A 77 -10.853 -1.877 7.369 1.00 0.00 C ATOM 1297 OG SER A 77 -11.049 -0.919 8.393 1.00 0.00 O ATOM 0 H SER A 77 -8.691 -2.974 6.925 1.00 0.00 H new ATOM 0 HA SER A 77 -10.511 -3.171 9.042 1.00 0.00 H new ATOM 0 HB2 SER A 77 -10.057 -1.544 6.703 1.00 0.00 H new ATOM 0 HB3 SER A 77 -11.758 -1.961 6.767 1.00 0.00 H new ATOM 0 HG SER A 77 -11.275 -0.054 7.992 1.00 0.00 H new ATOM 1303 N ALA A 78 -11.233 -4.948 6.403 1.00 0.00 N ATOM 1304 CA ALA A 78 -12.120 -5.976 5.879 1.00 0.00 C ATOM 1305 C ALA A 78 -12.156 -7.183 6.809 1.00 0.00 C ATOM 1306 O ALA A 78 -13.215 -7.751 7.064 1.00 0.00 O ATOM 1307 CB ALA A 78 -11.681 -6.394 4.485 1.00 0.00 C ATOM 0 H ALA A 78 -10.396 -4.787 5.842 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.126 -5.561 5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.354 -7.163 4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.708 -5.530 3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.666 -6.789 4.526 1.00 0.00 H new ATOM 1313 N MET A 79 -10.992 -7.578 7.314 1.00 0.00 N ATOM 1314 CA MET A 79 -10.910 -8.723 8.213 1.00 0.00 C ATOM 1315 C MET A 79 -11.515 -8.406 9.579 1.00 0.00 C ATOM 1316 O MET A 79 -12.292 -9.190 10.122 1.00 0.00 O ATOM 1317 CB MET A 79 -9.455 -9.163 8.377 1.00 0.00 C ATOM 1318 CG MET A 79 -9.288 -10.663 8.556 1.00 0.00 C ATOM 1319 SD MET A 79 -8.068 -11.371 7.431 1.00 0.00 S ATOM 1320 CE MET A 79 -6.753 -10.162 7.554 1.00 0.00 C ATOM 0 H MET A 79 -10.099 -7.126 7.118 1.00 0.00 H new ATOM 0 HA MET A 79 -11.485 -9.535 7.769 1.00 0.00 H new ATOM 0 HB2 MET A 79 -8.887 -8.845 7.503 1.00 0.00 H new ATOM 0 HB3 MET A 79 -9.025 -8.653 9.239 1.00 0.00 H new ATOM 0 HG2 MET A 79 -8.991 -10.871 9.584 1.00 0.00 H new ATOM 0 HG3 MET A 79 -10.249 -11.152 8.397 1.00 0.00 H new ATOM 0 HE1 MET A 79 -5.796 -10.644 7.357 1.00 0.00 H new ATOM 0 HE2 MET A 79 -6.918 -9.370 6.824 1.00 0.00 H new ATOM 0 HE3 MET A 79 -6.744 -9.735 8.557 1.00 0.00 H new ATOM 1330 N LEU A 80 -11.134 -7.262 10.141 1.00 0.00 N ATOM 1331 CA LEU A 80 -11.616 -6.848 11.457 1.00 0.00 C ATOM 1332 C LEU A 80 -13.034 -6.270 11.413 1.00 0.00 C ATOM 1333 O LEU A 80 -13.837 -6.518 12.310 1.00 0.00 O ATOM 1334 CB LEU A 80 -10.665 -5.816 12.061 1.00 0.00 C ATOM 1335 CG LEU A 80 -9.195 -6.238 12.103 1.00 0.00 C ATOM 1336 CD1 LEU A 80 -8.291 -5.060 11.772 1.00 0.00 C ATOM 1337 CD2 LEU A 80 -8.843 -6.814 13.466 1.00 0.00 C ATOM 0 H LEU A 80 -10.490 -6.602 9.704 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.647 -7.743 12.078 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.746 -4.891 11.489 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.992 -5.593 13.076 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.039 -7.012 11.352 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.249 -5.380 11.807 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.524 -4.692 10.773 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.451 -4.263 12.499 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.794 -7.108 13.477 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.016 -6.061 14.235 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.466 -7.686 13.665 1.00 0.00 H new ATOM 1349 N TYR A 81 -13.328 -5.475 10.387 1.00 0.00 N ATOM 1350 CA TYR A 81 -14.642 -4.842 10.270 1.00 0.00 C ATOM 1351 C TYR A 81 -15.596 -5.642 9.382 1.00 0.00 C ATOM 1352 O TYR A 81 -16.796 -5.695 9.647 1.00 0.00 O ATOM 1353 CB TYR A 81 -14.493 -3.424 9.721 1.00 0.00 C ATOM 1354 CG TYR A 81 -15.640 -2.506 10.084 1.00 0.00 C ATOM 1355 CD1 TYR A 81 -16.890 -2.661 9.502 1.00 0.00 C ATOM 1356 CD2 TYR A 81 -15.469 -1.484 11.010 1.00 0.00 C ATOM 1357 CE1 TYR A 81 -17.940 -1.823 9.830 1.00 0.00 C ATOM 1358 CE2 TYR A 81 -16.513 -0.643 11.343 1.00 0.00 C ATOM 1359 CZ TYR A 81 -17.745 -0.815 10.751 1.00 0.00 C ATOM 1360 OH TYR A 81 -18.787 0.021 11.081 1.00 0.00 O ATOM 0 H TYR A 81 -12.681 -5.254 9.630 1.00 0.00 H new ATOM 0 HA TYR A 81 -15.074 -4.810 11.270 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.564 -2.995 10.096 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -14.407 -3.472 8.635 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -17.046 -3.450 8.781 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.505 -1.345 11.477 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -18.907 -1.957 9.368 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -16.364 0.146 12.065 1.00 0.00 H new ATOM 0 HH TYR A 81 -18.484 0.676 11.744 1.00 0.00 H new ATOM 1370 N GLU A 82 -15.066 -6.250 8.327 1.00 0.00 N ATOM 1371 CA GLU A 82 -15.893 -7.029 7.408 1.00 0.00 C ATOM 1372 C GLU A 82 -16.875 -6.120 6.668 1.00 0.00 C ATOM 1373 O GLU A 82 -17.705 -5.457 7.290 1.00 0.00 O ATOM 1374 CB GLU A 82 -16.659 -8.114 8.169 1.00 0.00 C ATOM 1375 CG GLU A 82 -15.807 -8.873 9.171 1.00 0.00 C ATOM 1376 CD GLU A 82 -16.255 -10.310 9.349 1.00 0.00 C ATOM 1377 OE1 GLU A 82 -17.313 -10.529 9.972 1.00 0.00 O ATOM 1378 OE2 GLU A 82 -15.545 -11.215 8.863 1.00 0.00 O ATOM 0 H GLU A 82 -14.075 -6.220 8.086 1.00 0.00 H new ATOM 0 HA GLU A 82 -15.238 -7.505 6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.498 -7.655 8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.078 -8.821 7.453 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -14.768 -8.859 8.843 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.844 -8.363 10.134 1.00 0.00 H new ATOM 1385 N PRO A 83 -16.794 -6.073 5.323 1.00 0.00 N ATOM 1386 CA PRO A 83 -17.682 -5.234 4.510 1.00 0.00 C ATOM 1387 C PRO A 83 -19.120 -5.746 4.480 1.00 0.00 C ATOM 1388 O PRO A 83 -20.015 -5.078 3.963 1.00 0.00 O ATOM 1389 CB PRO A 83 -17.061 -5.312 3.113 1.00 0.00 C ATOM 1390 CG PRO A 83 -16.337 -6.613 3.094 1.00 0.00 C ATOM 1391 CD PRO A 83 -15.834 -6.827 4.495 1.00 0.00 C ATOM 0 HA PRO A 83 -17.755 -4.222 4.909 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -17.825 -5.273 2.337 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -16.382 -4.478 2.934 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -16.999 -7.424 2.789 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -15.512 -6.590 2.382 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -15.819 -7.884 4.759 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -14.817 -6.454 4.618 1.00 0.00 H new ATOM 1399 N ASP A 84 -19.341 -6.935 5.038 1.00 0.00 N ATOM 1400 CA ASP A 84 -20.674 -7.524 5.070 1.00 0.00 C ATOM 1401 C ASP A 84 -21.537 -6.890 6.158 1.00 0.00 C ATOM 1402 O ASP A 84 -22.754 -7.081 6.184 1.00 0.00 O ATOM 1403 CB ASP A 84 -20.578 -9.035 5.296 1.00 0.00 C ATOM 1404 CG ASP A 84 -19.620 -9.704 4.329 1.00 0.00 C ATOM 1405 OD1 ASP A 84 -19.669 -9.379 3.124 1.00 0.00 O ATOM 1406 OD2 ASP A 84 -18.823 -10.555 4.777 1.00 0.00 O ATOM 0 H ASP A 84 -18.616 -7.506 5.472 1.00 0.00 H new ATOM 0 HA ASP A 84 -21.147 -7.331 4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -20.251 -9.227 6.318 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -21.568 -9.479 5.189 1.00 0.00 H new ATOM 1411 N TYR A 85 -20.908 -6.135 7.055 1.00 0.00 N ATOM 1412 CA TYR A 85 -21.629 -5.478 8.140 1.00 0.00 C ATOM 1413 C TYR A 85 -21.467 -3.963 8.062 1.00 0.00 C ATOM 1414 O TYR A 85 -20.495 -3.407 8.571 1.00 0.00 O ATOM 1415 CB TYR A 85 -21.130 -5.987 9.493 1.00 0.00 C ATOM 1416 CG TYR A 85 -21.875 -7.205 9.993 1.00 0.00 C ATOM 1417 CD1 TYR A 85 -21.716 -8.441 9.379 1.00 0.00 C ATOM 1418 CD2 TYR A 85 -22.736 -7.118 11.080 1.00 0.00 C ATOM 1419 CE1 TYR A 85 -22.393 -9.556 9.834 1.00 0.00 C ATOM 1420 CE2 TYR A 85 -23.417 -8.229 11.539 1.00 0.00 C ATOM 1421 CZ TYR A 85 -23.243 -9.445 10.913 1.00 0.00 C ATOM 1422 OH TYR A 85 -23.920 -10.552 11.368 1.00 0.00 O ATOM 0 H TYR A 85 -19.903 -5.964 7.052 1.00 0.00 H new ATOM 0 HA TYR A 85 -22.687 -5.718 8.037 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -20.070 -6.227 9.413 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -21.221 -5.188 10.229 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -21.052 -8.532 8.532 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -22.875 -6.168 11.574 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -22.257 -10.510 9.346 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -24.083 -8.145 12.385 1.00 0.00 H new ATOM 0 HH TYR A 85 -24.476 -10.303 12.136 1.00 0.00 H new ATOM 1432 N GLU A 86 -22.426 -3.303 7.420 1.00 0.00 N ATOM 1433 CA GLU A 86 -22.390 -1.852 7.276 1.00 0.00 C ATOM 1434 C GLU A 86 -21.139 -1.410 6.524 1.00 0.00 C ATOM 1435 O GLU A 86 -20.059 -1.303 7.103 1.00 0.00 O ATOM 1436 CB GLU A 86 -22.436 -1.181 8.650 1.00 0.00 C ATOM 1437 CG GLU A 86 -23.846 -0.971 9.177 1.00 0.00 C ATOM 1438 CD GLU A 86 -24.453 -2.240 9.742 1.00 0.00 C ATOM 1439 OE1 GLU A 86 -23.772 -2.921 10.536 1.00 0.00 O ATOM 1440 OE2 GLU A 86 -25.610 -2.553 9.387 1.00 0.00 O ATOM 0 H GLU A 86 -23.237 -3.750 6.992 1.00 0.00 H new ATOM 0 HA GLU A 86 -23.264 -1.548 6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -21.878 -1.790 9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -21.932 -0.217 8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -23.830 -0.204 9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -24.479 -0.597 8.372 1.00 0.00 H new ATOM 1447 N LEU A 87 -21.293 -1.156 5.228 1.00 0.00 N ATOM 1448 CA LEU A 87 -20.176 -0.723 4.396 1.00 0.00 C ATOM 1449 C LEU A 87 -19.789 0.718 4.710 1.00 0.00 C ATOM 1450 O LEU A 87 -18.606 1.057 4.757 1.00 0.00 O ATOM 1451 CB LEU A 87 -20.536 -0.855 2.914 1.00 0.00 C ATOM 1452 CG LEU A 87 -19.341 -0.894 1.959 1.00 0.00 C ATOM 1453 CD1 LEU A 87 -19.728 -1.565 0.650 1.00 0.00 C ATOM 1454 CD2 LEU A 87 -18.818 0.512 1.707 1.00 0.00 C ATOM 0 H LEU A 87 -22.180 -1.243 4.732 1.00 0.00 H new ATOM 0 HA LEU A 87 -19.323 -1.365 4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -21.121 -1.765 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -21.177 -0.019 2.636 1.00 0.00 H new ATOM 0 HG LEU A 87 -18.546 -1.479 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -18.867 -1.584 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -20.057 -2.585 0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -20.538 -1.007 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -17.968 0.467 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -19.607 1.120 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -18.504 0.958 2.651 1.00 0.00 H new ATOM 1466 N ILE A 88 -20.794 1.562 4.924 1.00 0.00 N ATOM 1467 CA ILE A 88 -20.559 2.967 5.234 1.00 0.00 C ATOM 1468 C ILE A 88 -21.873 3.702 5.480 1.00 0.00 C ATOM 1469 O ILE A 88 -21.991 4.481 6.424 1.00 0.00 O ATOM 1470 CB ILE A 88 -19.785 3.670 4.101 1.00 0.00 C ATOM 1471 CG1 ILE A 88 -19.457 5.115 4.489 1.00 0.00 C ATOM 1472 CG2 ILE A 88 -20.586 3.631 2.806 1.00 0.00 C ATOM 1473 CD1 ILE A 88 -18.000 5.477 4.294 1.00 0.00 C ATOM 0 H ILE A 88 -21.778 1.297 4.888 1.00 0.00 H new ATOM 0 HA ILE A 88 -19.958 2.997 6.143 1.00 0.00 H new ATOM 0 HB ILE A 88 -18.847 3.138 3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -20.073 5.791 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -19.726 5.272 5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -20.026 4.131 2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -20.767 2.595 2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -21.539 4.139 2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -17.840 6.514 4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -17.378 4.826 4.908 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -17.731 5.352 3.245 1.00 0.00 H new ATOM 1485 N ARG A 89 -22.855 3.448 4.620 1.00 0.00 N ATOM 1486 CA ARG A 89 -24.164 4.082 4.738 1.00 0.00 C ATOM 1487 C ARG A 89 -24.057 5.596 4.578 1.00 0.00 C ATOM 1488 O ARG A 89 -24.337 6.137 3.506 1.00 0.00 O ATOM 1489 CB ARG A 89 -24.804 3.741 6.087 1.00 0.00 C ATOM 1490 CG ARG A 89 -25.227 2.286 6.208 1.00 0.00 C ATOM 1491 CD ARG A 89 -25.645 1.943 7.629 1.00 0.00 C ATOM 1492 NE ARG A 89 -26.745 2.786 8.093 1.00 0.00 N ATOM 1493 CZ ARG A 89 -27.301 2.680 9.298 1.00 0.00 C ATOM 1494 NH1 ARG A 89 -26.866 1.770 10.161 1.00 0.00 N ATOM 1495 NH2 ARG A 89 -28.297 3.485 9.641 1.00 0.00 N ATOM 0 H ARG A 89 -22.769 2.806 3.832 1.00 0.00 H new ATOM 0 HA ARG A 89 -24.796 3.697 3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -24.098 3.973 6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -25.675 4.378 6.238 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -26.055 2.089 5.527 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -24.403 1.640 5.904 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -25.945 0.896 7.676 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -24.791 2.060 8.297 1.00 0.00 H new ATOM 0 HE ARG A 89 -27.108 3.496 7.457 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -26.101 1.147 9.903 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -27.297 1.694 11.083 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -28.637 4.185 8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -28.723 3.404 10.564 1.00 0.00 H new ATOM 1509 N ASN A 90 -23.650 6.276 5.643 1.00 0.00 N ATOM 1510 CA ASN A 90 -23.507 7.728 5.617 1.00 0.00 C ATOM 1511 C ASN A 90 -22.113 8.129 5.142 1.00 0.00 C ATOM 1512 O ASN A 90 -21.154 7.373 5.293 1.00 0.00 O ATOM 1513 CB ASN A 90 -23.774 8.313 7.004 1.00 0.00 C ATOM 1514 CG ASN A 90 -22.920 7.668 8.079 1.00 0.00 C ATOM 1515 OD1 ASN A 90 -22.659 6.466 8.042 1.00 0.00 O ATOM 1516 ND2 ASN A 90 -22.480 8.468 9.042 1.00 0.00 N ATOM 0 H ASN A 90 -23.413 5.845 6.537 1.00 0.00 H new ATOM 0 HA ASN A 90 -24.239 8.128 4.915 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -23.581 9.386 6.986 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -24.827 8.183 7.254 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -21.900 8.092 9.792 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -22.722 9.459 9.032 1.00 0.00 H new ATOM 1523 N GLY A 91 -22.011 9.323 4.567 1.00 0.00 N ATOM 1524 CA GLY A 91 -20.732 9.804 4.080 1.00 0.00 C ATOM 1525 C GLY A 91 -19.876 10.392 5.183 1.00 0.00 C ATOM 1526 O GLY A 91 -20.007 11.569 5.520 1.00 0.00 O ATOM 0 H GLY A 91 -22.791 9.966 4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.195 8.982 3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -20.900 10.560 3.313 1.00 0.00 H new ATOM 1530 N LEU A 92 -18.997 9.572 5.749 1.00 0.00 N ATOM 1531 CA LEU A 92 -18.116 10.019 6.822 1.00 0.00 C ATOM 1532 C LEU A 92 -17.053 10.975 6.292 1.00 0.00 C ATOM 1533 O LEU A 92 -16.433 10.720 5.259 1.00 0.00 O ATOM 1534 CB LEU A 92 -17.448 8.815 7.493 1.00 0.00 C ATOM 1535 CG LEU A 92 -17.275 8.934 9.009 1.00 0.00 C ATOM 1536 CD1 LEU A 92 -16.300 10.052 9.349 1.00 0.00 C ATOM 1537 CD2 LEU A 92 -18.618 9.173 9.681 1.00 0.00 C ATOM 0 H LEU A 92 -18.876 8.595 5.483 1.00 0.00 H new ATOM 0 HA LEU A 92 -18.720 10.550 7.558 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -18.039 7.924 7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -16.468 8.664 7.041 1.00 0.00 H new ATOM 0 HG LEU A 92 -16.865 7.996 9.384 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -16.190 10.122 10.431 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -15.331 9.839 8.898 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -16.681 10.997 8.961 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.476 9.255 10.759 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -19.056 10.096 9.301 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.286 8.339 9.465 1.00 0.00 H new ATOM 1549 N LYS A 93 -16.847 12.076 7.006 1.00 0.00 N ATOM 1550 CA LYS A 93 -15.858 13.073 6.609 1.00 0.00 C ATOM 1551 C LYS A 93 -14.755 13.194 7.656 1.00 0.00 C ATOM 1552 O LYS A 93 -14.935 13.842 8.686 1.00 0.00 O ATOM 1553 CB LYS A 93 -16.528 14.432 6.398 1.00 0.00 C ATOM 1554 CG LYS A 93 -15.618 15.464 5.752 1.00 0.00 C ATOM 1555 CD LYS A 93 -15.986 16.876 6.181 1.00 0.00 C ATOM 1556 CE LYS A 93 -16.815 17.586 5.122 1.00 0.00 C ATOM 1557 NZ LYS A 93 -16.279 18.940 4.813 1.00 0.00 N ATOM 0 H LYS A 93 -17.352 12.301 7.863 1.00 0.00 H new ATOM 0 HA LYS A 93 -15.409 12.748 5.671 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -17.413 14.299 5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -16.870 14.813 7.360 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -14.582 15.258 6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -15.686 15.383 4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -16.545 16.839 7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.077 17.446 6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -16.832 16.986 4.212 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.846 17.673 5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -16.872 19.391 4.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -16.286 19.521 5.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -15.304 18.855 4.460 1.00 0.00 H new ATOM 1571 N GLN A 94 -13.618 12.563 7.386 1.00 0.00 N ATOM 1572 CA GLN A 94 -12.487 12.599 8.305 1.00 0.00 C ATOM 1573 C GLN A 94 -11.529 13.732 7.942 1.00 0.00 C ATOM 1574 O GLN A 94 -10.321 13.525 7.810 1.00 0.00 O ATOM 1575 CB GLN A 94 -11.753 11.254 8.294 1.00 0.00 C ATOM 1576 CG GLN A 94 -11.630 10.620 9.670 1.00 0.00 C ATOM 1577 CD GLN A 94 -11.882 9.125 9.646 1.00 0.00 C ATOM 1578 OE1 GLN A 94 -11.876 8.498 8.584 1.00 0.00 O ATOM 1579 NE2 GLN A 94 -12.107 8.542 10.818 1.00 0.00 N ATOM 0 H GLN A 94 -13.455 12.020 6.538 1.00 0.00 H new ATOM 0 HA GLN A 94 -12.866 12.784 9.310 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -12.280 10.567 7.632 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.756 11.397 7.878 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -10.633 10.811 10.066 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -12.339 11.094 10.349 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -12.103 9.098 11.673 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -12.284 7.538 10.863 1.00 0.00 H new ATOM 1588 N LYS A 95 -12.075 14.933 7.783 1.00 0.00 N ATOM 1589 CA LYS A 95 -11.272 16.102 7.435 1.00 0.00 C ATOM 1590 C LYS A 95 -10.641 15.937 6.054 1.00 0.00 C ATOM 1591 O LYS A 95 -9.421 16.003 5.906 1.00 0.00 O ATOM 1592 CB LYS A 95 -10.184 16.333 8.487 1.00 0.00 C ATOM 1593 CG LYS A 95 -9.925 17.803 8.780 1.00 0.00 C ATOM 1594 CD LYS A 95 -8.489 18.192 8.468 1.00 0.00 C ATOM 1595 CE LYS A 95 -8.237 18.242 6.970 1.00 0.00 C ATOM 1596 NZ LYS A 95 -7.419 19.428 6.583 1.00 0.00 N ATOM 0 H LYS A 95 -13.071 15.124 7.890 1.00 0.00 H new ATOM 0 HA LYS A 95 -11.930 16.971 7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.471 15.832 9.411 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.258 15.870 8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.605 18.417 8.190 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.138 18.008 9.829 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.271 19.166 8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.809 17.475 8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.727 17.331 6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.190 18.271 6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.269 19.426 5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.917 20.298 6.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.499 19.388 7.067 1.00 0.00 H new ATOM 1610 N GLU A 96 -11.483 15.723 5.049 1.00 0.00 N ATOM 1611 CA GLU A 96 -11.010 15.551 3.679 1.00 0.00 C ATOM 1612 C GLU A 96 -12.181 15.377 2.719 1.00 0.00 C ATOM 1613 O GLU A 96 -12.167 15.906 1.607 1.00 0.00 O ATOM 1614 CB GLU A 96 -10.071 14.345 3.584 1.00 0.00 C ATOM 1615 CG GLU A 96 -10.510 13.156 4.424 1.00 0.00 C ATOM 1616 CD GLU A 96 -9.975 11.839 3.894 1.00 0.00 C ATOM 1617 OE1 GLU A 96 -8.801 11.803 3.468 1.00 0.00 O ATOM 1618 OE2 GLU A 96 -10.730 10.845 3.904 1.00 0.00 O ATOM 0 H GLU A 96 -12.496 15.664 5.156 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.461 16.449 3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.999 14.034 2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.072 14.649 3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -10.170 13.295 5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -11.599 13.117 4.451 1.00 0.00 H new ATOM 1625 N ALA A 97 -13.194 14.635 3.154 1.00 0.00 N ATOM 1626 CA ALA A 97 -14.375 14.391 2.334 1.00 0.00 C ATOM 1627 C ALA A 97 -14.009 13.674 1.036 1.00 0.00 C ATOM 1628 O ALA A 97 -14.119 12.452 0.943 1.00 0.00 O ATOM 1629 CB ALA A 97 -15.093 15.702 2.039 1.00 0.00 C ATOM 0 H ALA A 97 -13.221 14.191 4.072 1.00 0.00 H new ATOM 0 HA ALA A 97 -15.048 13.741 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -15.973 15.505 1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -15.400 16.167 2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -14.421 16.373 1.504 1.00 0.00 H new ATOM 1635 N LYS A 98 -13.577 14.442 0.039 1.00 0.00 N ATOM 1636 CA LYS A 98 -13.197 13.875 -1.253 1.00 0.00 C ATOM 1637 C LYS A 98 -14.330 13.040 -1.841 1.00 0.00 C ATOM 1638 O LYS A 98 -14.264 11.811 -1.864 1.00 0.00 O ATOM 1639 CB LYS A 98 -11.938 13.019 -1.107 1.00 0.00 C ATOM 1640 CG LYS A 98 -11.058 13.015 -2.346 1.00 0.00 C ATOM 1641 CD LYS A 98 -9.882 13.967 -2.199 1.00 0.00 C ATOM 1642 CE LYS A 98 -9.438 14.515 -3.544 1.00 0.00 C ATOM 1643 NZ LYS A 98 -8.678 13.508 -4.332 1.00 0.00 N ATOM 0 H LYS A 98 -13.481 15.456 0.100 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.991 14.700 -1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -11.357 13.384 -0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.230 11.995 -0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.689 12.006 -2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.651 13.299 -3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.160 14.792 -1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.050 13.448 -1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.312 14.835 -4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.818 15.398 -3.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.712 13.856 -4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.637 12.613 -3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.153 13.350 -5.244 1.00 0.00 H new TER 1657 LYS A 98