USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 918 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 NoAdj-H: A 44 HIS HD1 : A 44 HIS ND1 : A 54 ZNZN :(H bumps) USER MOD NoAdj-H: B 44 HIS HD1 : B 44 HIS ND1 : B 154 ZNZN :(H bumps) USER MOD Set 1.1: B 31 LYS NZ :NH3+ 167:sc= 0.813 (180deg=0) USER MOD Set 1.2: B 35 GLN : amide:sc= 0.711 K(o=1.5,f=-2.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -100:sc= 0.0613 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= -2.1 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.79) USER MOD Single : A 15 MET CE :methyl -155:sc= -0.38 (180deg=-2.83) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -15:sc= -0.392 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.053 X(o=-0.053,f=-0.5) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -72:sc= 1.19 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 89:sc= 0.118 USER MOD Single : A 52 ASN : amide:sc= 0.433 K(o=0.43,f=-3.7!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 MET CE :methyl 163:sc= -1.24 (180deg=-1.48) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= -0.149 USER MOD Single : B 22 SER OG : rot 180:sc=-0.00534 USER MOD Single : B 24 LYS NZ :NH3+ -146:sc= 0.00518 (180deg=0) USER MOD Single : B 27 ASN : amide:sc= -0.255 X(o=-0.25,f=-0.63) USER MOD Single : B 30 LYS NZ :NH3+ -151:sc= 0.004 (180deg=-0.0168) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 THR OG1 : rot 74:sc= 1.01 USER MOD Single : B 52 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.615 19.540 -7.359 1.00 0.00 N ATOM 2 CA MET A 1 8.387 19.179 -6.599 1.00 0.00 C ATOM 3 C MET A 1 8.653 19.179 -5.090 1.00 0.00 C ATOM 4 O MET A 1 9.796 19.111 -4.646 1.00 0.00 O ATOM 5 CB MET A 1 7.803 17.817 -7.046 1.00 0.00 C ATOM 6 CG MET A 1 6.881 17.925 -8.266 1.00 0.00 C ATOM 7 SD MET A 1 5.332 18.826 -7.953 1.00 0.00 S ATOM 8 CE MET A 1 5.565 20.267 -9.033 1.00 0.00 C ATOM 0 H1 MET A 1 9.569 20.541 -7.639 1.00 0.00 H new ATOM 0 H2 MET A 1 10.451 19.386 -6.760 1.00 0.00 H new ATOM 0 H3 MET A 1 9.684 18.946 -8.210 1.00 0.00 H new ATOM 0 HA MET A 1 7.642 19.943 -6.821 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.622 17.136 -7.277 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.248 17.378 -6.217 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.421 18.422 -9.072 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.640 16.921 -8.615 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.698 20.923 -8.957 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.459 20.810 -8.727 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.679 19.934 -10.065 1.00 0.00 H new ATOM 20 N ASP A 2 7.576 19.220 -4.302 1.00 0.00 N ATOM 21 CA ASP A 2 7.558 19.062 -2.839 1.00 0.00 C ATOM 22 C ASP A 2 6.385 18.141 -2.441 1.00 0.00 C ATOM 23 O ASP A 2 5.518 17.858 -3.272 1.00 0.00 O ATOM 24 CB ASP A 2 7.449 20.461 -2.200 1.00 0.00 C ATOM 25 CG ASP A 2 7.514 20.460 -0.658 1.00 0.00 C ATOM 26 OD1 ASP A 2 8.207 19.590 -0.077 1.00 0.00 O ATOM 27 OD2 ASP A 2 6.871 21.329 -0.020 1.00 0.00 O ATOM 0 H ASP A 2 6.642 19.372 -4.684 1.00 0.00 H new ATOM 0 HA ASP A 2 8.474 18.594 -2.479 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.253 21.088 -2.586 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.510 20.919 -2.512 1.00 0.00 H new ATOM 32 N TYR A 3 6.337 17.678 -1.188 1.00 0.00 N ATOM 33 CA TYR A 3 5.259 16.840 -0.634 1.00 0.00 C ATOM 34 C TYR A 3 4.992 15.567 -1.477 1.00 0.00 C ATOM 35 O TYR A 3 3.939 15.390 -2.086 1.00 0.00 O ATOM 36 CB TYR A 3 4.020 17.719 -0.339 1.00 0.00 C ATOM 37 CG TYR A 3 3.420 17.582 1.052 1.00 0.00 C ATOM 38 CD1 TYR A 3 3.206 16.319 1.636 1.00 0.00 C ATOM 39 CD2 TYR A 3 3.037 18.742 1.751 1.00 0.00 C ATOM 40 CE1 TYR A 3 2.585 16.212 2.898 1.00 0.00 C ATOM 41 CE2 TYR A 3 2.408 18.644 3.007 1.00 0.00 C ATOM 42 CZ TYR A 3 2.174 17.379 3.583 1.00 0.00 C ATOM 43 OH TYR A 3 1.542 17.301 4.784 1.00 0.00 O ATOM 0 H TYR A 3 7.069 17.880 -0.507 1.00 0.00 H new ATOM 0 HA TYR A 3 5.576 16.426 0.323 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.295 18.762 -0.493 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.248 17.481 -1.071 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.519 15.427 1.115 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.227 19.714 1.321 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.424 15.240 3.341 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.105 19.539 3.530 1.00 0.00 H new ATOM 0 HH TYR A 3 1.336 18.204 5.105 1.00 0.00 H new ATOM 53 N LEU A 4 6.004 14.693 -1.545 1.00 0.00 N ATOM 54 CA LEU A 4 6.073 13.483 -2.385 1.00 0.00 C ATOM 55 C LEU A 4 6.612 12.265 -1.602 1.00 0.00 C ATOM 56 O LEU A 4 5.906 11.265 -1.490 1.00 0.00 O ATOM 57 CB LEU A 4 6.859 13.807 -3.674 1.00 0.00 C ATOM 58 CG LEU A 4 8.293 14.337 -3.459 1.00 0.00 C ATOM 59 CD1 LEU A 4 9.349 13.274 -3.742 1.00 0.00 C ATOM 60 CD2 LEU A 4 8.580 15.530 -4.366 1.00 0.00 C ATOM 0 H LEU A 4 6.847 14.815 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 4 5.069 13.183 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.911 12.905 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.298 14.547 -4.245 1.00 0.00 H new ATOM 0 HG LEU A 4 8.348 14.632 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 4 10.341 13.694 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.199 12.425 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.263 12.942 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.597 15.882 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.473 15.229 -5.408 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.876 16.332 -4.146 1.00 0.00 H new ATOM 72 N ARG A 5 7.790 12.353 -0.959 1.00 0.00 N ATOM 73 CA ARG A 5 8.321 11.289 -0.076 1.00 0.00 C ATOM 74 C ARG A 5 7.502 11.172 1.209 1.00 0.00 C ATOM 75 O ARG A 5 7.201 10.071 1.664 1.00 0.00 O ATOM 76 CB ARG A 5 9.802 11.561 0.258 1.00 0.00 C ATOM 77 CG ARG A 5 10.480 10.335 0.897 1.00 0.00 C ATOM 78 CD ARG A 5 11.810 10.698 1.568 1.00 0.00 C ATOM 79 NE ARG A 5 12.477 9.497 2.112 1.00 0.00 N ATOM 80 CZ ARG A 5 13.296 9.429 3.148 1.00 0.00 C ATOM 81 NH1 ARG A 5 13.605 10.473 3.864 1.00 0.00 N ATOM 82 NH2 ARG A 5 13.827 8.291 3.489 1.00 0.00 N ATOM 0 H ARG A 5 8.405 13.164 -1.035 1.00 0.00 H new ATOM 0 HA ARG A 5 8.245 10.342 -0.610 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.335 11.838 -0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.871 12.410 0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.810 9.894 1.635 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.655 9.578 0.133 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.464 11.185 0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.632 11.414 2.370 1.00 0.00 H new ATOM 0 HE ARG A 5 12.283 8.618 1.633 1.00 0.00 H new ATOM 0 HH11 ARG A 5 13.211 11.385 3.633 1.00 0.00 H new ATOM 0 HH12 ARG A 5 14.241 10.378 4.656 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.612 7.448 2.957 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.458 8.242 4.289 1.00 0.00 H new ATOM 96 N GLU A 6 7.102 12.320 1.755 1.00 0.00 N ATOM 97 CA GLU A 6 6.240 12.424 2.940 1.00 0.00 C ATOM 98 C GLU A 6 4.878 11.747 2.728 1.00 0.00 C ATOM 99 O GLU A 6 4.295 11.216 3.673 1.00 0.00 O ATOM 100 CB GLU A 6 6.068 13.909 3.303 1.00 0.00 C ATOM 101 CG GLU A 6 5.733 14.090 4.793 1.00 0.00 C ATOM 102 CD GLU A 6 5.805 15.563 5.250 1.00 0.00 C ATOM 103 OE1 GLU A 6 6.847 16.228 5.030 1.00 0.00 O ATOM 104 OE2 GLU A 6 4.841 16.051 5.887 1.00 0.00 O ATOM 0 H GLU A 6 7.373 13.228 1.379 1.00 0.00 H new ATOM 0 HA GLU A 6 6.719 11.896 3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.984 14.451 3.067 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.274 14.344 2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.732 13.704 4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.424 13.495 5.390 1.00 0.00 H new ATOM 111 N LEU A 7 4.402 11.711 1.477 1.00 0.00 N ATOM 112 CA LEU A 7 3.241 10.907 1.092 1.00 0.00 C ATOM 113 C LEU A 7 3.595 9.413 1.083 1.00 0.00 C ATOM 114 O LEU A 7 3.046 8.643 1.868 1.00 0.00 O ATOM 115 CB LEU A 7 2.723 11.369 -0.284 1.00 0.00 C ATOM 116 CG LEU A 7 2.414 12.866 -0.420 1.00 0.00 C ATOM 117 CD1 LEU A 7 1.554 13.095 -1.651 1.00 0.00 C ATOM 118 CD2 LEU A 7 1.637 13.438 0.750 1.00 0.00 C ATOM 0 H LEU A 7 4.812 12.238 0.706 1.00 0.00 H new ATOM 0 HA LEU A 7 2.448 11.050 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.464 11.102 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.817 10.809 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 7 3.384 13.361 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.334 14.158 -1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.088 12.752 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.622 12.539 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.456 14.500 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.684 12.918 0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.212 13.308 1.667 1.00 0.00 H new ATOM 130 N TYR A 8 4.558 9.031 0.237 1.00 0.00 N ATOM 131 CA TYR A 8 5.038 7.665 -0.039 1.00 0.00 C ATOM 132 C TYR A 8 5.337 6.844 1.211 1.00 0.00 C ATOM 133 O TYR A 8 4.974 5.672 1.273 1.00 0.00 O ATOM 134 CB TYR A 8 6.346 7.819 -0.852 1.00 0.00 C ATOM 135 CG TYR A 8 6.721 6.763 -1.881 1.00 0.00 C ATOM 136 CD1 TYR A 8 6.877 5.412 -1.515 1.00 0.00 C ATOM 137 CD2 TYR A 8 7.059 7.169 -3.189 1.00 0.00 C ATOM 138 CE1 TYR A 8 7.345 4.476 -2.457 1.00 0.00 C ATOM 139 CE2 TYR A 8 7.516 6.232 -4.137 1.00 0.00 C ATOM 140 CZ TYR A 8 7.666 4.878 -3.769 1.00 0.00 C ATOM 141 OH TYR A 8 8.151 3.958 -4.646 1.00 0.00 O ATOM 0 H TYR A 8 5.064 9.721 -0.318 1.00 0.00 H new ATOM 0 HA TYR A 8 4.251 7.128 -0.569 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.297 8.776 -1.371 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.167 7.885 -0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.637 5.094 -0.511 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.967 8.209 -3.467 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.459 3.441 -2.172 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.751 6.549 -5.142 1.00 0.00 H new ATOM 0 HH TYR A 8 8.323 4.388 -5.509 1.00 0.00 H new ATOM 151 N LYS A 9 6.010 7.430 2.203 1.00 0.00 N ATOM 152 CA LYS A 9 6.469 6.678 3.378 1.00 0.00 C ATOM 153 C LYS A 9 5.330 6.202 4.275 1.00 0.00 C ATOM 154 O LYS A 9 5.257 5.014 4.579 1.00 0.00 O ATOM 155 CB LYS A 9 7.535 7.495 4.129 1.00 0.00 C ATOM 156 CG LYS A 9 8.359 6.622 5.086 1.00 0.00 C ATOM 157 CD LYS A 9 9.433 7.453 5.802 1.00 0.00 C ATOM 158 CE LYS A 9 10.327 6.540 6.651 1.00 0.00 C ATOM 159 NZ LYS A 9 11.343 7.319 7.409 1.00 0.00 N ATOM 0 H LYS A 9 6.250 8.421 2.219 1.00 0.00 H new ATOM 0 HA LYS A 9 6.932 5.755 3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.200 7.972 3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.051 8.293 4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.700 6.161 5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.831 5.812 4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.038 7.988 5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.961 8.204 6.436 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.710 5.971 7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.828 5.818 6.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.929 6.670 7.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.947 7.842 6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.864 7.990 8.043 1.00 0.00 H new ATOM 173 N LEU A 10 4.398 7.082 4.631 1.00 0.00 N ATOM 174 CA LEU A 10 3.164 6.725 5.318 1.00 0.00 C ATOM 175 C LEU A 10 2.200 5.912 4.437 1.00 0.00 C ATOM 176 O LEU A 10 1.539 5.000 4.933 1.00 0.00 O ATOM 177 CB LEU A 10 2.515 7.980 5.920 1.00 0.00 C ATOM 178 CG LEU A 10 3.372 8.524 7.086 1.00 0.00 C ATOM 179 CD1 LEU A 10 4.146 9.786 6.708 1.00 0.00 C ATOM 180 CD2 LEU A 10 2.508 8.804 8.317 1.00 0.00 C ATOM 0 H LEU A 10 4.483 8.081 4.446 1.00 0.00 H new ATOM 0 HA LEU A 10 3.418 6.054 6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.407 8.746 5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.513 7.743 6.277 1.00 0.00 H new ATOM 0 HG LEU A 10 4.098 7.745 7.319 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.730 10.124 7.564 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.815 9.567 5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.446 10.568 6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.135 9.186 9.123 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.748 9.544 8.067 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.024 7.882 8.640 1.00 0.00 H new ATOM 192 N GLU A 11 2.195 6.151 3.122 1.00 0.00 N ATOM 193 CA GLU A 11 1.581 5.260 2.128 1.00 0.00 C ATOM 194 C GLU A 11 2.157 3.832 2.213 1.00 0.00 C ATOM 195 O GLU A 11 1.378 2.880 2.201 1.00 0.00 O ATOM 196 CB GLU A 11 1.722 5.910 0.728 1.00 0.00 C ATOM 197 CG GLU A 11 0.520 6.788 0.322 1.00 0.00 C ATOM 198 CD GLU A 11 -0.678 6.024 -0.239 1.00 0.00 C ATOM 199 OE1 GLU A 11 -1.459 5.285 0.393 1.00 0.00 O ATOM 200 OE2 GLU A 11 -1.139 6.126 -1.398 1.00 0.00 O ATOM 0 H GLU A 11 2.623 6.980 2.710 1.00 0.00 H new ATOM 0 HA GLU A 11 0.518 5.140 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.626 6.518 0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.852 5.124 -0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.194 7.356 1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.852 7.510 -0.423 1.00 0.00 H new ATOM 207 N GLN A 12 3.471 3.641 2.416 1.00 0.00 N ATOM 208 CA GLN A 12 4.068 2.322 2.627 1.00 0.00 C ATOM 209 C GLN A 12 3.981 1.772 4.049 1.00 0.00 C ATOM 210 O GLN A 12 4.090 0.565 4.253 1.00 0.00 O ATOM 211 CB GLN A 12 5.518 2.322 2.150 1.00 0.00 C ATOM 212 CG GLN A 12 5.549 2.220 0.626 1.00 0.00 C ATOM 213 CD GLN A 12 6.969 2.011 0.100 1.00 0.00 C ATOM 214 OE1 GLN A 12 7.924 2.657 0.509 1.00 0.00 O ATOM 215 NE2 GLN A 12 7.176 1.084 -0.813 1.00 0.00 N ATOM 0 H GLN A 12 4.148 4.404 2.438 1.00 0.00 H new ATOM 0 HA GLN A 12 3.459 1.642 2.031 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.020 3.233 2.475 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.058 1.485 2.593 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.917 1.393 0.304 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.131 3.128 0.192 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.394 0.534 -1.168 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.119 0.916 -1.165 1.00 0.00 H new ATOM 224 N GLN A 13 3.727 2.613 5.039 1.00 0.00 N ATOM 225 CA GLN A 13 3.536 2.183 6.414 1.00 0.00 C ATOM 226 C GLN A 13 2.216 1.429 6.599 1.00 0.00 C ATOM 227 O GLN A 13 2.200 0.412 7.294 1.00 0.00 O ATOM 228 CB GLN A 13 3.646 3.434 7.294 1.00 0.00 C ATOM 229 CG GLN A 13 3.695 3.040 8.761 1.00 0.00 C ATOM 230 CD GLN A 13 3.830 4.218 9.726 1.00 0.00 C ATOM 231 OE1 GLN A 13 3.722 5.388 9.371 1.00 0.00 O ATOM 232 NE2 GLN A 13 4.075 3.960 10.990 1.00 0.00 N ATOM 0 H GLN A 13 3.647 3.622 4.909 1.00 0.00 H new ATOM 0 HA GLN A 13 4.301 1.464 6.706 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.542 3.995 7.030 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.794 4.090 7.114 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.789 2.487 9.007 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.534 2.362 8.915 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.168 2.994 11.305 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.172 4.725 11.657 1.00 0.00 H new ATOM 241 N ALA A 14 1.144 1.833 5.907 1.00 0.00 N ATOM 242 CA ALA A 14 -0.058 1.007 5.809 1.00 0.00 C ATOM 243 C ALA A 14 0.233 -0.298 5.048 1.00 0.00 C ATOM 244 O ALA A 14 -0.262 -1.349 5.439 1.00 0.00 O ATOM 245 CB ALA A 14 -1.166 1.824 5.132 1.00 0.00 C ATOM 0 H ALA A 14 1.087 2.722 5.410 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.390 0.721 6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.069 1.218 5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.377 2.713 5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.841 2.122 4.135 1.00 0.00 H new ATOM 251 N MET A 15 1.084 -0.256 4.015 1.00 0.00 N ATOM 252 CA MET A 15 1.438 -1.426 3.185 1.00 0.00 C ATOM 253 C MET A 15 2.231 -2.492 3.949 1.00 0.00 C ATOM 254 O MET A 15 1.961 -3.682 3.797 1.00 0.00 O ATOM 255 CB MET A 15 2.243 -1.015 1.945 1.00 0.00 C ATOM 256 CG MET A 15 1.396 -0.237 0.936 1.00 0.00 C ATOM 257 SD MET A 15 -0.002 -1.154 0.243 1.00 0.00 S ATOM 258 CE MET A 15 0.890 -2.584 -0.401 1.00 0.00 C ATOM 0 H MET A 15 1.555 0.601 3.724 1.00 0.00 H new ATOM 0 HA MET A 15 0.484 -1.859 2.885 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.092 -0.404 2.252 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.648 -1.906 1.466 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.017 0.663 1.420 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.039 0.088 0.118 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.323 -3.029 -1.219 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.867 -2.269 -0.767 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.020 -3.320 0.393 1.00 0.00 H new ATOM 268 N LYS A 16 3.191 -2.092 4.791 1.00 0.00 N ATOM 269 CA LYS A 16 3.970 -3.026 5.618 1.00 0.00 C ATOM 270 C LYS A 16 3.098 -3.700 6.677 1.00 0.00 C ATOM 271 O LYS A 16 3.171 -4.916 6.858 1.00 0.00 O ATOM 272 CB LYS A 16 5.152 -2.283 6.259 1.00 0.00 C ATOM 273 CG LYS A 16 6.457 -3.097 6.191 1.00 0.00 C ATOM 274 CD LYS A 16 7.049 -3.132 4.771 1.00 0.00 C ATOM 275 CE LYS A 16 8.288 -4.036 4.729 1.00 0.00 C ATOM 276 NZ LYS A 16 8.907 -4.059 3.376 1.00 0.00 N ATOM 0 H LYS A 16 3.451 -1.114 4.919 1.00 0.00 H new ATOM 0 HA LYS A 16 4.357 -3.819 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.295 -1.328 5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.918 -2.061 7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.187 -2.667 6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.265 -4.116 6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.301 -3.497 4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.317 -2.123 4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.019 -3.686 5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.009 -5.049 5.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.741 -4.680 3.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.217 -4.417 2.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.196 -3.096 3.110 1.00 0.00 H new ATOM 290 N LEU A 17 2.213 -2.918 7.304 1.00 0.00 N ATOM 291 CA LEU A 17 1.135 -3.431 8.165 1.00 0.00 C ATOM 292 C LEU A 17 0.242 -4.443 7.429 1.00 0.00 C ATOM 293 O LEU A 17 0.028 -5.563 7.896 1.00 0.00 O ATOM 294 CB LEU A 17 0.310 -2.231 8.682 1.00 0.00 C ATOM 295 CG LEU A 17 0.400 -2.040 10.201 1.00 0.00 C ATOM 296 CD1 LEU A 17 -0.296 -0.737 10.581 1.00 0.00 C ATOM 297 CD2 LEU A 17 -0.263 -3.181 10.975 1.00 0.00 C ATOM 0 H LEU A 17 2.223 -1.901 7.229 1.00 0.00 H new ATOM 0 HA LEU A 17 1.575 -3.969 9.005 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.655 -1.323 8.188 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.734 -2.370 8.402 1.00 0.00 H new ATOM 0 HG LEU A 17 1.458 -2.022 10.464 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.236 -0.594 11.660 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.192 0.097 10.077 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.342 -0.782 10.278 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.171 -2.996 12.045 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.318 -3.238 10.706 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.227 -4.122 10.726 1.00 0.00 H new ATOM 309 N TYR A 18 -0.213 -4.061 6.240 1.00 0.00 N ATOM 310 CA TYR A 18 -1.034 -4.873 5.341 1.00 0.00 C ATOM 311 C TYR A 18 -0.389 -6.206 4.934 1.00 0.00 C ATOM 312 O TYR A 18 -1.085 -7.217 4.848 1.00 0.00 O ATOM 313 CB TYR A 18 -1.381 -4.065 4.081 1.00 0.00 C ATOM 314 CG TYR A 18 -2.721 -3.363 4.083 1.00 0.00 C ATOM 315 CD1 TYR A 18 -3.879 -4.105 4.373 1.00 0.00 C ATOM 316 CD2 TYR A 18 -2.834 -2.008 3.717 1.00 0.00 C ATOM 317 CE1 TYR A 18 -5.146 -3.511 4.298 1.00 0.00 C ATOM 318 CE2 TYR A 18 -4.095 -1.384 3.705 1.00 0.00 C ATOM 319 CZ TYR A 18 -5.254 -2.134 4.009 1.00 0.00 C ATOM 320 OH TYR A 18 -6.470 -1.538 4.027 1.00 0.00 O ATOM 0 H TYR A 18 -0.012 -3.137 5.858 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.934 -5.126 5.902 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.603 -3.317 3.929 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.348 -4.737 3.224 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.791 -5.143 4.657 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.952 -1.447 3.445 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.034 -4.103 4.460 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.177 -0.334 3.464 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.170 -2.223 4.016 1.00 0.00 H new ATOM 330 N ARG A 19 0.929 -6.235 4.694 1.00 0.00 N ATOM 331 CA ARG A 19 1.667 -7.457 4.322 1.00 0.00 C ATOM 332 C ARG A 19 1.616 -8.531 5.416 1.00 0.00 C ATOM 333 O ARG A 19 1.531 -9.718 5.110 1.00 0.00 O ATOM 334 CB ARG A 19 3.111 -7.077 3.943 1.00 0.00 C ATOM 335 CG ARG A 19 3.770 -8.133 3.042 1.00 0.00 C ATOM 336 CD ARG A 19 5.169 -7.677 2.605 1.00 0.00 C ATOM 337 NE ARG A 19 5.721 -8.544 1.546 1.00 0.00 N ATOM 338 CZ ARG A 19 5.554 -8.424 0.237 1.00 0.00 C ATOM 339 NH1 ARG A 19 4.816 -7.477 -0.283 1.00 0.00 N ATOM 340 NH2 ARG A 19 6.123 -9.250 -0.582 1.00 0.00 N ATOM 0 H ARG A 19 1.521 -5.406 4.752 1.00 0.00 H new ATOM 0 HA ARG A 19 1.181 -7.908 3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.110 -6.115 3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.703 -6.955 4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.841 -9.080 3.576 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.148 -8.308 2.164 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.121 -6.649 2.245 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.838 -7.682 3.465 1.00 0.00 H new ATOM 0 HE ARG A 19 6.297 -9.326 1.858 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.349 -6.803 0.324 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.708 -7.412 -1.295 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.708 -10.004 -0.222 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.986 -9.147 -1.588 1.00 0.00 H new ATOM 354 N GLU A 20 1.597 -8.119 6.685 1.00 0.00 N ATOM 355 CA GLU A 20 1.387 -9.011 7.837 1.00 0.00 C ATOM 356 C GLU A 20 -0.089 -9.340 8.054 1.00 0.00 C ATOM 357 O GLU A 20 -0.446 -10.489 8.310 1.00 0.00 O ATOM 358 CB GLU A 20 1.940 -8.330 9.098 1.00 0.00 C ATOM 359 CG GLU A 20 2.473 -9.317 10.144 1.00 0.00 C ATOM 360 CD GLU A 20 3.793 -9.976 9.696 1.00 0.00 C ATOM 361 OE1 GLU A 20 4.874 -9.365 9.877 1.00 0.00 O ATOM 362 OE2 GLU A 20 3.761 -11.115 9.171 1.00 0.00 O ATOM 0 H GLU A 20 1.729 -7.143 6.950 1.00 0.00 H new ATOM 0 HA GLU A 20 1.907 -9.947 7.635 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.741 -7.649 8.811 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.153 -7.725 9.549 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.630 -8.795 11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.726 -10.089 10.327 1.00 0.00 H new ATOM 369 N ALA A 21 -0.958 -8.344 7.901 1.00 0.00 N ATOM 370 CA ALA A 21 -2.409 -8.546 7.945 1.00 0.00 C ATOM 371 C ALA A 21 -2.898 -9.587 6.919 1.00 0.00 C ATOM 372 O ALA A 21 -3.767 -10.390 7.247 1.00 0.00 O ATOM 373 CB ALA A 21 -3.125 -7.209 7.773 1.00 0.00 C ATOM 0 H ALA A 21 -0.680 -7.375 7.743 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.656 -8.956 8.924 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.203 -7.367 7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.832 -6.533 8.576 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.852 -6.771 6.813 1.00 0.00 H new ATOM 379 N SER A 22 -2.302 -9.646 5.722 1.00 0.00 N ATOM 380 CA SER A 22 -2.525 -10.707 4.729 1.00 0.00 C ATOM 381 C SER A 22 -2.207 -12.115 5.262 1.00 0.00 C ATOM 382 O SER A 22 -2.912 -13.066 4.922 1.00 0.00 O ATOM 383 CB SER A 22 -1.684 -10.406 3.480 1.00 0.00 C ATOM 384 OG SER A 22 -2.008 -11.277 2.408 1.00 0.00 O ATOM 0 H SER A 22 -1.635 -8.941 5.408 1.00 0.00 H new ATOM 0 HA SER A 22 -3.587 -10.710 4.485 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.847 -9.373 3.172 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.626 -10.504 3.721 1.00 0.00 H new ATOM 0 HG SER A 22 -1.456 -11.057 1.629 1.00 0.00 H new ATOM 390 N GLU A 23 -1.205 -12.272 6.141 1.00 0.00 N ATOM 391 CA GLU A 23 -0.914 -13.562 6.787 1.00 0.00 C ATOM 392 C GLU A 23 -2.031 -13.983 7.758 1.00 0.00 C ATOM 393 O GLU A 23 -2.488 -15.128 7.729 1.00 0.00 O ATOM 394 CB GLU A 23 0.429 -13.481 7.528 1.00 0.00 C ATOM 395 CG GLU A 23 1.071 -14.848 7.797 1.00 0.00 C ATOM 396 CD GLU A 23 1.548 -15.538 6.503 1.00 0.00 C ATOM 397 OE1 GLU A 23 2.653 -15.212 6.005 1.00 0.00 O ATOM 398 OE2 GLU A 23 0.827 -16.423 5.980 1.00 0.00 O ATOM 0 H GLU A 23 -0.579 -11.517 6.422 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.857 -14.321 6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.120 -12.874 6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.279 -12.967 8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.918 -14.722 8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.352 -15.491 8.304 1.00 0.00 H new ATOM 405 N LYS A 24 -2.516 -13.045 8.587 1.00 0.00 N ATOM 406 CA LYS A 24 -3.660 -13.261 9.500 1.00 0.00 C ATOM 407 C LYS A 24 -4.955 -13.556 8.727 1.00 0.00 C ATOM 408 O LYS A 24 -5.679 -14.503 9.041 1.00 0.00 O ATOM 409 CB LYS A 24 -3.863 -12.042 10.427 1.00 0.00 C ATOM 410 CG LYS A 24 -2.918 -11.963 11.640 1.00 0.00 C ATOM 411 CD LYS A 24 -1.456 -11.631 11.299 1.00 0.00 C ATOM 412 CE LYS A 24 -0.564 -11.532 12.546 1.00 0.00 C ATOM 413 NZ LYS A 24 -0.847 -10.320 13.362 1.00 0.00 N ATOM 0 H LYS A 24 -2.124 -12.105 8.646 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.424 -14.133 10.110 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.742 -11.134 9.835 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.891 -12.052 10.790 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.296 -11.207 12.329 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.946 -12.917 12.167 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.059 -12.398 10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.419 -10.687 10.755 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.707 -12.420 13.161 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.482 -11.522 12.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.217 -10.304 14.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.685 -9.469 12.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.837 -10.339 13.680 1.00 0.00 H new ATOM 427 N ALA A 25 -5.206 -12.781 7.673 1.00 0.00 N ATOM 428 CA ALA A 25 -6.409 -12.793 6.840 1.00 0.00 C ATOM 429 C ALA A 25 -6.342 -13.775 5.648 1.00 0.00 C ATOM 430 O ALA A 25 -6.980 -13.536 4.620 1.00 0.00 O ATOM 431 CB ALA A 25 -6.660 -11.352 6.374 1.00 0.00 C ATOM 0 H ALA A 25 -4.532 -12.083 7.357 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.241 -13.162 7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.552 -11.322 5.748 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.804 -10.709 7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.803 -11.001 5.800 1.00 0.00 H new ATOM 437 N ARG A 26 -5.576 -14.876 5.752 1.00 0.00 N ATOM 438 CA ARG A 26 -5.427 -15.894 4.686 1.00 0.00 C ATOM 439 C ARG A 26 -6.745 -16.485 4.147 1.00 0.00 C ATOM 440 O ARG A 26 -6.773 -16.978 3.019 1.00 0.00 O ATOM 441 CB ARG A 26 -4.420 -16.995 5.094 1.00 0.00 C ATOM 442 CG ARG A 26 -4.879 -18.006 6.163 1.00 0.00 C ATOM 443 CD ARG A 26 -4.711 -17.513 7.605 1.00 0.00 C ATOM 444 NE ARG A 26 -5.228 -18.505 8.569 1.00 0.00 N ATOM 445 CZ ARG A 26 -6.172 -18.343 9.470 1.00 0.00 C ATOM 446 NH1 ARG A 26 -6.728 -17.183 9.717 1.00 0.00 N ATOM 447 NH2 ARG A 26 -6.596 -19.359 10.162 1.00 0.00 N ATOM 0 H ARG A 26 -5.034 -15.090 6.589 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.019 -15.347 3.836 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.146 -17.552 4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.515 -16.508 5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.928 -18.247 5.993 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.315 -18.931 6.039 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.657 -17.320 7.806 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.238 -16.568 7.733 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.800 -19.430 8.531 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.432 -16.355 9.200 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.457 -17.108 10.426 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.196 -20.284 10.007 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.328 -19.231 10.860 1.00 0.00 H new ATOM 461 N ASN A 27 -7.829 -16.430 4.927 1.00 0.00 N ATOM 462 CA ASN A 27 -9.184 -16.814 4.507 1.00 0.00 C ATOM 463 C ASN A 27 -9.686 -15.931 3.331 1.00 0.00 C ATOM 464 O ASN A 27 -9.632 -14.700 3.436 1.00 0.00 O ATOM 465 CB ASN A 27 -10.090 -16.705 5.750 1.00 0.00 C ATOM 466 CG ASN A 27 -11.468 -17.305 5.528 1.00 0.00 C ATOM 467 OD1 ASN A 27 -11.619 -18.493 5.286 1.00 0.00 O ATOM 468 ND2 ASN A 27 -12.514 -16.516 5.598 1.00 0.00 N ATOM 0 H ASN A 27 -7.789 -16.109 5.894 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.197 -17.835 4.127 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.610 -17.209 6.589 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.196 -15.656 6.026 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.449 -16.895 5.451 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.392 -15.524 5.800 1.00 0.00 H new ATOM 475 N PRO A 28 -10.201 -16.501 2.218 1.00 0.00 N ATOM 476 CA PRO A 28 -10.430 -15.759 0.971 1.00 0.00 C ATOM 477 C PRO A 28 -11.485 -14.647 1.073 1.00 0.00 C ATOM 478 O PRO A 28 -11.415 -13.667 0.331 1.00 0.00 O ATOM 479 CB PRO A 28 -10.786 -16.808 -0.088 1.00 0.00 C ATOM 480 CG PRO A 28 -11.322 -17.982 0.726 1.00 0.00 C ATOM 481 CD PRO A 28 -10.512 -17.907 2.019 1.00 0.00 C ATOM 0 HA PRO A 28 -9.528 -15.208 0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.533 -16.432 -0.787 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.914 -17.094 -0.676 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.391 -17.887 0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.172 -18.931 0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.082 -18.303 2.860 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.601 -18.501 1.943 1.00 0.00 H new ATOM 489 N GLU A 29 -12.408 -14.750 2.032 1.00 0.00 N ATOM 490 CA GLU A 29 -13.437 -13.742 2.344 1.00 0.00 C ATOM 491 C GLU A 29 -12.870 -12.352 2.680 1.00 0.00 C ATOM 492 O GLU A 29 -13.523 -11.332 2.454 1.00 0.00 O ATOM 493 CB GLU A 29 -14.258 -14.257 3.537 1.00 0.00 C ATOM 494 CG GLU A 29 -15.738 -13.859 3.497 1.00 0.00 C ATOM 495 CD GLU A 29 -16.509 -14.618 2.398 1.00 0.00 C ATOM 496 OE1 GLU A 29 -16.928 -15.778 2.637 1.00 0.00 O ATOM 497 OE2 GLU A 29 -16.710 -14.060 1.293 1.00 0.00 O ATOM 0 H GLU A 29 -12.466 -15.568 2.639 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.046 -13.610 1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.186 -15.344 3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.816 -13.879 4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.194 -14.061 4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.821 -12.786 3.323 1.00 0.00 H new ATOM 504 N LYS A 30 -11.638 -12.327 3.201 1.00 0.00 N ATOM 505 CA LYS A 30 -10.823 -11.127 3.439 1.00 0.00 C ATOM 506 C LYS A 30 -9.642 -11.020 2.480 1.00 0.00 C ATOM 507 O LYS A 30 -9.384 -9.916 2.001 1.00 0.00 O ATOM 508 CB LYS A 30 -10.345 -11.040 4.902 1.00 0.00 C ATOM 509 CG LYS A 30 -11.391 -10.515 5.900 1.00 0.00 C ATOM 510 CD LYS A 30 -12.463 -11.539 6.306 1.00 0.00 C ATOM 511 CE LYS A 30 -13.493 -10.963 7.292 1.00 0.00 C ATOM 512 NZ LYS A 30 -12.908 -10.651 8.625 1.00 0.00 N ATOM 0 H LYS A 30 -11.158 -13.182 3.482 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.476 -10.277 3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.025 -12.031 5.223 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.469 -10.393 4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.877 -10.173 6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.885 -9.646 5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.979 -11.892 5.413 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.979 -12.405 6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.925 -10.056 6.869 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.308 -11.676 7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.647 -10.266 9.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.519 -11.519 9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.148 -9.949 8.515 1.00 0.00 H new ATOM 526 N LYS A 31 -8.976 -12.128 2.124 1.00 0.00 N ATOM 527 CA LYS A 31 -7.846 -12.118 1.173 1.00 0.00 C ATOM 528 C LYS A 31 -8.174 -11.475 -0.180 1.00 0.00 C ATOM 529 O LYS A 31 -7.336 -10.784 -0.749 1.00 0.00 O ATOM 530 CB LYS A 31 -7.249 -13.524 1.009 1.00 0.00 C ATOM 531 CG LYS A 31 -5.807 -13.470 0.480 1.00 0.00 C ATOM 532 CD LYS A 31 -5.227 -14.881 0.348 1.00 0.00 C ATOM 533 CE LYS A 31 -3.817 -14.810 -0.254 1.00 0.00 C ATOM 534 NZ LYS A 31 -3.231 -16.163 -0.449 1.00 0.00 N ATOM 0 H LYS A 31 -9.202 -13.055 2.484 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.088 -11.472 1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.266 -14.041 1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.867 -14.104 0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.788 -12.971 -0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.188 -12.879 1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.191 -15.362 1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.872 -15.491 -0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.856 -14.289 -1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.171 -14.225 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.279 -16.073 -0.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.170 -16.650 0.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.834 -16.713 -1.094 1.00 0.00 H new ATOM 548 N SER A 32 -9.410 -11.623 -0.652 1.00 0.00 N ATOM 549 CA SER A 32 -9.900 -11.000 -1.897 1.00 0.00 C ATOM 550 C SER A 32 -10.471 -9.582 -1.742 1.00 0.00 C ATOM 551 O SER A 32 -10.802 -8.934 -2.737 1.00 0.00 O ATOM 552 CB SER A 32 -10.916 -11.915 -2.592 1.00 0.00 C ATOM 553 OG SER A 32 -12.097 -12.061 -1.819 1.00 0.00 O ATOM 0 H SER A 32 -10.116 -12.186 -0.179 1.00 0.00 H new ATOM 0 HA SER A 32 -9.012 -10.879 -2.518 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.168 -11.504 -3.570 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.468 -12.894 -2.763 1.00 0.00 H new ATOM 0 HG SER A 32 -11.911 -12.626 -1.040 1.00 0.00 H new ATOM 559 N VAL A 33 -10.526 -9.069 -0.511 1.00 0.00 N ATOM 560 CA VAL A 33 -10.994 -7.710 -0.179 1.00 0.00 C ATOM 561 C VAL A 33 -9.807 -6.787 0.081 1.00 0.00 C ATOM 562 O VAL A 33 -9.717 -5.741 -0.565 1.00 0.00 O ATOM 563 CB VAL A 33 -11.971 -7.717 1.016 1.00 0.00 C ATOM 564 CG1 VAL A 33 -12.424 -6.299 1.396 1.00 0.00 C ATOM 565 CG2 VAL A 33 -13.227 -8.528 0.679 1.00 0.00 C ATOM 0 H VAL A 33 -10.239 -9.599 0.312 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.546 -7.327 -1.038 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.432 -8.163 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.110 -6.351 2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.555 -5.701 1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.928 -5.838 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.904 -8.522 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.726 -8.085 -0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.945 -9.555 0.447 1.00 0.00 H new ATOM 575 N LEU A 34 -8.841 -7.175 0.932 1.00 0.00 N ATOM 576 CA LEU A 34 -7.627 -6.370 1.094 1.00 0.00 C ATOM 577 C LEU A 34 -6.752 -6.374 -0.183 1.00 0.00 C ATOM 578 O LEU A 34 -6.030 -5.410 -0.418 1.00 0.00 O ATOM 579 CB LEU A 34 -6.919 -6.678 2.436 1.00 0.00 C ATOM 580 CG LEU A 34 -5.818 -7.725 2.364 1.00 0.00 C ATOM 581 CD1 LEU A 34 -5.000 -7.796 3.651 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.326 -9.131 2.105 1.00 0.00 C ATOM 0 H LEU A 34 -8.877 -8.019 1.503 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.899 -5.319 1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.493 -5.753 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.668 -7.011 3.155 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.208 -7.393 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.227 -8.558 3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.534 -6.829 3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.654 -8.052 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.483 -9.821 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.002 -9.427 2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.859 -9.156 1.154 1.00 0.00 H new ATOM 594 N GLN A 35 -6.865 -7.381 -1.069 1.00 0.00 N ATOM 595 CA GLN A 35 -6.150 -7.397 -2.356 1.00 0.00 C ATOM 596 C GLN A 35 -6.516 -6.223 -3.280 1.00 0.00 C ATOM 597 O GLN A 35 -5.641 -5.687 -3.960 1.00 0.00 O ATOM 598 CB GLN A 35 -6.373 -8.750 -3.058 1.00 0.00 C ATOM 599 CG GLN A 35 -5.729 -8.891 -4.451 1.00 0.00 C ATOM 600 CD GLN A 35 -4.204 -8.756 -4.476 1.00 0.00 C ATOM 601 OE1 GLN A 35 -3.505 -8.873 -3.477 1.00 0.00 O ATOM 602 NE2 GLN A 35 -3.620 -8.522 -5.631 1.00 0.00 N ATOM 0 H GLN A 35 -7.451 -8.201 -0.913 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.091 -7.270 -2.134 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.984 -9.541 -2.416 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.446 -8.916 -3.155 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.999 -9.863 -4.863 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.156 -8.136 -5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.183 -8.421 -6.476 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.604 -8.442 -5.682 1.00 0.00 H new ATOM 611 N LYS A 36 -7.783 -5.782 -3.303 1.00 0.00 N ATOM 612 CA LYS A 36 -8.205 -4.665 -4.168 1.00 0.00 C ATOM 613 C LYS A 36 -7.617 -3.323 -3.717 1.00 0.00 C ATOM 614 O LYS A 36 -7.231 -2.506 -4.551 1.00 0.00 O ATOM 615 CB LYS A 36 -9.746 -4.623 -4.255 1.00 0.00 C ATOM 616 CG LYS A 36 -10.248 -4.345 -5.681 1.00 0.00 C ATOM 617 CD LYS A 36 -10.116 -5.588 -6.581 1.00 0.00 C ATOM 618 CE LYS A 36 -10.450 -5.306 -8.055 1.00 0.00 C ATOM 619 NZ LYS A 36 -11.888 -4.988 -8.267 1.00 0.00 N ATOM 0 H LYS A 36 -8.532 -6.179 -2.736 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.807 -4.841 -5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.152 -5.574 -3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.124 -3.852 -3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.291 -4.030 -5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.681 -3.521 -6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.098 -5.972 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.777 -6.370 -6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.842 -4.473 -8.408 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.182 -6.174 -8.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.058 -4.807 -9.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.471 -5.792 -7.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.142 -4.143 -7.716 1.00 0.00 H new ATOM 633 N ILE A 37 -7.463 -3.142 -2.402 1.00 0.00 N ATOM 634 CA ILE A 37 -6.669 -2.056 -1.809 1.00 0.00 C ATOM 635 C ILE A 37 -5.199 -2.239 -2.194 1.00 0.00 C ATOM 636 O ILE A 37 -4.617 -1.303 -2.732 1.00 0.00 O ATOM 637 CB ILE A 37 -6.841 -2.041 -0.270 1.00 0.00 C ATOM 638 CG1 ILE A 37 -8.305 -1.816 0.147 1.00 0.00 C ATOM 639 CG2 ILE A 37 -5.884 -1.030 0.384 1.00 0.00 C ATOM 640 CD1 ILE A 37 -8.592 -1.813 1.652 1.00 0.00 C ATOM 0 H ILE A 37 -7.892 -3.754 -1.707 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.018 -1.097 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.569 -3.029 0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.635 -0.863 -0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.915 -2.592 -0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.026 -1.041 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.854 -1.301 0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.092 -0.031 0.000 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.656 -1.646 1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.304 -2.774 2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.020 -1.018 2.130 1.00 0.00 H new ATOM 652 N LEU A 38 -4.594 -3.417 -2.008 1.00 0.00 N ATOM 653 CA LEU A 38 -3.190 -3.658 -2.379 1.00 0.00 C ATOM 654 C LEU A 38 -2.885 -3.268 -3.841 1.00 0.00 C ATOM 655 O LEU A 38 -1.837 -2.671 -4.099 1.00 0.00 O ATOM 656 CB LEU A 38 -2.791 -5.120 -2.092 1.00 0.00 C ATOM 657 CG LEU A 38 -2.691 -5.501 -0.599 1.00 0.00 C ATOM 658 CD1 LEU A 38 -2.520 -7.011 -0.431 1.00 0.00 C ATOM 659 CD2 LEU A 38 -1.493 -4.841 0.075 1.00 0.00 C ATOM 0 H LEU A 38 -5.058 -4.228 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.580 -3.006 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.518 -5.777 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.828 -5.315 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.617 -5.158 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.452 -7.254 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.377 -7.525 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.609 -7.332 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.458 -5.135 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.576 -5.159 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.587 -3.757 0.004 1.00 0.00 H new ATOM 671 N GLU A 39 -3.796 -3.518 -4.790 1.00 0.00 N ATOM 672 CA GLU A 39 -3.626 -3.076 -6.181 1.00 0.00 C ATOM 673 C GLU A 39 -3.761 -1.560 -6.379 1.00 0.00 C ATOM 674 O GLU A 39 -2.961 -0.954 -7.094 1.00 0.00 O ATOM 675 CB GLU A 39 -4.631 -3.797 -7.096 1.00 0.00 C ATOM 676 CG GLU A 39 -4.314 -5.285 -7.275 1.00 0.00 C ATOM 677 CD GLU A 39 -5.320 -5.948 -8.236 1.00 0.00 C ATOM 678 OE1 GLU A 39 -5.098 -5.910 -9.472 1.00 0.00 O ATOM 679 OE2 GLU A 39 -6.328 -6.527 -7.766 1.00 0.00 O ATOM 0 H GLU A 39 -4.663 -4.027 -4.619 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.602 -3.337 -6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.633 -3.692 -6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.638 -3.312 -8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.302 -5.402 -7.664 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.344 -5.787 -6.308 1.00 0.00 H new ATOM 686 N ASP A 40 -4.732 -0.927 -5.725 1.00 0.00 N ATOM 687 CA ASP A 40 -4.902 0.520 -5.703 1.00 0.00 C ATOM 688 C ASP A 40 -3.693 1.237 -5.078 1.00 0.00 C ATOM 689 O ASP A 40 -3.257 2.273 -5.569 1.00 0.00 O ATOM 690 CB ASP A 40 -6.169 0.795 -4.882 1.00 0.00 C ATOM 691 CG ASP A 40 -7.486 0.816 -5.674 1.00 0.00 C ATOM 692 OD1 ASP A 40 -7.516 0.537 -6.899 1.00 0.00 O ATOM 693 OD2 ASP A 40 -8.514 1.127 -5.029 1.00 0.00 O ATOM 0 H ASP A 40 -5.440 -1.421 -5.182 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.987 0.902 -6.720 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.247 0.036 -4.103 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.053 1.756 -4.380 1.00 0.00 H new ATOM 698 N GLU A 41 -3.114 0.675 -4.014 1.00 0.00 N ATOM 699 CA GLU A 41 -1.993 1.299 -3.295 1.00 0.00 C ATOM 700 C GLU A 41 -0.681 1.154 -4.087 1.00 0.00 C ATOM 701 O GLU A 41 0.138 2.075 -4.107 1.00 0.00 O ATOM 702 CB GLU A 41 -1.820 0.704 -1.888 1.00 0.00 C ATOM 703 CG GLU A 41 -2.994 0.867 -0.907 1.00 0.00 C ATOM 704 CD GLU A 41 -3.350 2.303 -0.489 1.00 0.00 C ATOM 705 OE1 GLU A 41 -2.739 3.299 -0.984 1.00 0.00 O ATOM 706 OE2 GLU A 41 -4.313 2.487 0.301 1.00 0.00 O ATOM 0 H GLU A 41 -3.405 -0.222 -3.625 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.230 2.358 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.614 -0.361 -1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.937 1.156 -1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.878 0.414 -1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.766 0.297 -0.006 1.00 0.00 H new ATOM 713 N GLU A 42 -0.499 0.042 -4.806 1.00 0.00 N ATOM 714 CA GLU A 42 0.586 -0.110 -5.780 1.00 0.00 C ATOM 715 C GLU A 42 0.478 0.940 -6.902 1.00 0.00 C ATOM 716 O GLU A 42 1.492 1.523 -7.293 1.00 0.00 O ATOM 717 CB GLU A 42 0.593 -1.553 -6.307 1.00 0.00 C ATOM 718 CG GLU A 42 1.911 -1.988 -6.969 1.00 0.00 C ATOM 719 CD GLU A 42 2.139 -1.453 -8.399 1.00 0.00 C ATOM 720 OE1 GLU A 42 1.178 -1.401 -9.205 1.00 0.00 O ATOM 721 OE2 GLU A 42 3.308 -1.157 -8.747 1.00 0.00 O ATOM 0 H GLU A 42 -1.100 -0.778 -4.729 1.00 0.00 H new ATOM 0 HA GLU A 42 1.545 0.073 -5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.377 -2.229 -5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.215 -1.666 -7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.739 -1.661 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.942 -3.077 -6.997 1.00 0.00 H new ATOM 728 N LYS A 43 -0.746 1.262 -7.350 1.00 0.00 N ATOM 729 CA LYS A 43 -1.006 2.350 -8.309 1.00 0.00 C ATOM 730 C LYS A 43 -0.616 3.727 -7.758 1.00 0.00 C ATOM 731 O LYS A 43 -0.011 4.515 -8.483 1.00 0.00 O ATOM 732 CB LYS A 43 -2.477 2.343 -8.774 1.00 0.00 C ATOM 733 CG LYS A 43 -2.629 2.593 -10.282 1.00 0.00 C ATOM 734 CD LYS A 43 -2.272 1.348 -11.109 1.00 0.00 C ATOM 735 CE LYS A 43 -2.503 1.613 -12.601 1.00 0.00 C ATOM 736 NZ LYS A 43 -2.251 0.395 -13.417 1.00 0.00 N ATOM 0 H LYS A 43 -1.590 0.771 -7.055 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.369 2.161 -9.173 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.927 1.383 -8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.029 3.107 -8.227 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.655 2.891 -10.499 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.987 3.422 -10.579 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.230 1.077 -10.938 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.879 0.502 -10.785 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.527 1.951 -12.757 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.847 2.418 -12.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.416 0.609 -14.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.266 0.087 -13.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.894 -0.365 -13.115 1.00 0.00 H new ATOM 750 N HIS A 44 -0.882 4.021 -6.478 1.00 0.00 N ATOM 751 CA HIS A 44 -0.471 5.245 -5.826 1.00 0.00 C ATOM 752 C HIS A 44 1.050 5.366 -5.789 1.00 0.00 C ATOM 753 O HIS A 44 1.580 6.389 -6.201 1.00 0.00 O ATOM 754 CB HIS A 44 -1.052 5.238 -4.412 1.00 0.00 C ATOM 755 CG HIS A 44 -2.556 5.218 -4.298 1.00 0.00 C ATOM 756 ND1 HIS A 44 -3.285 5.086 -3.099 1.00 0.00 N ATOM 757 CD2 HIS A 44 -3.417 5.293 -5.347 1.00 0.00 C ATOM 758 CE1 HIS A 44 -4.580 5.052 -3.502 1.00 0.00 C ATOM 759 NE2 HIS A 44 -4.674 5.163 -4.834 1.00 0.00 N ATOM 0 H HIS A 44 -1.401 3.393 -5.865 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.842 6.106 -6.382 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.659 4.367 -3.887 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.683 6.119 -3.888 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.156 5.429 -6.386 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.424 4.949 -2.837 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.540 5.152 -5.373 1.00 0.00 H new ATOM 767 N ILE A 45 1.746 4.306 -5.360 1.00 0.00 N ATOM 768 CA ILE A 45 3.214 4.225 -5.375 1.00 0.00 C ATOM 769 C ILE A 45 3.789 4.428 -6.787 1.00 0.00 C ATOM 770 O ILE A 45 4.776 5.148 -6.935 1.00 0.00 O ATOM 771 CB ILE A 45 3.668 2.904 -4.693 1.00 0.00 C ATOM 772 CG1 ILE A 45 3.986 3.124 -3.195 1.00 0.00 C ATOM 773 CG2 ILE A 45 4.904 2.259 -5.342 1.00 0.00 C ATOM 774 CD1 ILE A 45 2.778 3.482 -2.323 1.00 0.00 C ATOM 0 H ILE A 45 1.300 3.468 -4.987 1.00 0.00 H new ATOM 0 HA ILE A 45 3.627 5.048 -4.792 1.00 0.00 H new ATOM 0 HB ILE A 45 2.822 2.229 -4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.445 2.218 -2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.726 3.920 -3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.158 1.342 -4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.687 2.025 -6.384 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.744 2.952 -5.293 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.101 3.616 -1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.329 4.406 -2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.043 2.678 -2.371 1.00 0.00 H new ATOM 786 N GLU A 46 3.152 3.882 -7.831 1.00 0.00 N ATOM 787 CA GLU A 46 3.518 4.148 -9.231 1.00 0.00 C ATOM 788 C GLU A 46 3.531 5.648 -9.548 1.00 0.00 C ATOM 789 O GLU A 46 4.517 6.169 -10.075 1.00 0.00 O ATOM 790 CB GLU A 46 2.553 3.421 -10.194 1.00 0.00 C ATOM 791 CG GLU A 46 3.199 2.277 -10.977 1.00 0.00 C ATOM 792 CD GLU A 46 4.257 2.770 -11.984 1.00 0.00 C ATOM 793 OE1 GLU A 46 3.879 3.261 -13.076 1.00 0.00 O ATOM 794 OE2 GLU A 46 5.473 2.641 -11.704 1.00 0.00 O ATOM 0 H GLU A 46 2.365 3.241 -7.729 1.00 0.00 H new ATOM 0 HA GLU A 46 4.529 3.766 -9.373 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.713 3.027 -9.621 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.146 4.146 -10.899 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.664 1.581 -10.279 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.425 1.724 -11.510 1.00 0.00 H new ATOM 801 N TRP A 47 2.462 6.362 -9.193 1.00 0.00 N ATOM 802 CA TRP A 47 2.322 7.783 -9.483 1.00 0.00 C ATOM 803 C TRP A 47 3.239 8.636 -8.603 1.00 0.00 C ATOM 804 O TRP A 47 3.872 9.570 -9.090 1.00 0.00 O ATOM 805 CB TRP A 47 0.861 8.197 -9.262 1.00 0.00 C ATOM 806 CG TRP A 47 -0.238 7.401 -9.911 1.00 0.00 C ATOM 807 CD1 TRP A 47 -0.171 6.689 -11.061 1.00 0.00 C ATOM 808 CD2 TRP A 47 -1.607 7.233 -9.426 1.00 0.00 C ATOM 809 NE1 TRP A 47 -1.388 6.074 -11.299 1.00 0.00 N ATOM 810 CE2 TRP A 47 -2.315 6.384 -10.325 1.00 0.00 C ATOM 811 CE3 TRP A 47 -2.317 7.720 -8.312 1.00 0.00 C ATOM 812 CZ2 TRP A 47 -3.660 6.034 -10.120 1.00 0.00 C ATOM 813 CZ3 TRP A 47 -3.671 7.386 -8.094 1.00 0.00 C ATOM 814 CH2 TRP A 47 -4.339 6.538 -8.994 1.00 0.00 C ATOM 0 H TRP A 47 1.666 5.965 -8.693 1.00 0.00 H new ATOM 0 HA TRP A 47 2.612 7.950 -10.520 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.678 8.191 -8.187 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.759 9.229 -9.597 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.699 6.613 -11.696 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.576 5.466 -12.096 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.813 8.365 -7.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.168 5.385 -10.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.194 7.782 -7.236 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.372 6.273 -8.822 1.00 0.00 H new ATOM 825 N LEU A 48 3.358 8.291 -7.323 1.00 0.00 N ATOM 826 CA LEU A 48 4.248 8.914 -6.343 1.00 0.00 C ATOM 827 C LEU A 48 5.716 8.872 -6.785 1.00 0.00 C ATOM 828 O LEU A 48 6.413 9.883 -6.712 1.00 0.00 O ATOM 829 CB LEU A 48 4.044 8.169 -5.010 1.00 0.00 C ATOM 830 CG LEU A 48 2.798 8.619 -4.233 1.00 0.00 C ATOM 831 CD1 LEU A 48 2.437 7.605 -3.150 1.00 0.00 C ATOM 832 CD2 LEU A 48 3.059 9.946 -3.526 1.00 0.00 C ATOM 0 H LEU A 48 2.809 7.531 -6.920 1.00 0.00 H new ATOM 0 HA LEU A 48 4.004 9.971 -6.238 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.970 7.100 -5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.924 8.316 -4.384 1.00 0.00 H new ATOM 0 HG LEU A 48 1.988 8.714 -4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.552 7.946 -2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.233 6.638 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.269 7.506 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.165 10.250 -2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.888 9.830 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.310 10.708 -4.264 1.00 0.00 H new ATOM 844 N GLU A 49 6.173 7.733 -7.305 1.00 0.00 N ATOM 845 CA GLU A 49 7.507 7.605 -7.909 1.00 0.00 C ATOM 846 C GLU A 49 7.636 8.423 -9.195 1.00 0.00 C ATOM 847 O GLU A 49 8.643 9.096 -9.411 1.00 0.00 O ATOM 848 CB GLU A 49 7.809 6.133 -8.219 1.00 0.00 C ATOM 849 CG GLU A 49 9.321 5.879 -8.243 1.00 0.00 C ATOM 850 CD GLU A 49 9.645 4.410 -8.572 1.00 0.00 C ATOM 851 OE1 GLU A 49 9.609 3.557 -7.653 1.00 0.00 O ATOM 852 OE2 GLU A 49 9.962 4.102 -9.748 1.00 0.00 O ATOM 0 H GLU A 49 5.631 6.869 -7.321 1.00 0.00 H new ATOM 0 HA GLU A 49 8.224 7.992 -7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.341 5.496 -7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.375 5.863 -9.182 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.788 6.529 -8.983 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.749 6.138 -7.275 1.00 0.00 H new ATOM 859 N THR A 50 6.596 8.412 -10.031 1.00 0.00 N ATOM 860 CA THR A 50 6.543 9.226 -11.254 1.00 0.00 C ATOM 861 C THR A 50 6.561 10.743 -10.987 1.00 0.00 C ATOM 862 O THR A 50 7.051 11.512 -11.816 1.00 0.00 O ATOM 863 CB THR A 50 5.339 8.766 -12.089 1.00 0.00 C ATOM 864 OG1 THR A 50 5.635 7.500 -12.644 1.00 0.00 O ATOM 865 CG2 THR A 50 4.994 9.664 -13.262 1.00 0.00 C ATOM 0 H THR A 50 5.765 7.840 -9.882 1.00 0.00 H new ATOM 0 HA THR A 50 7.456 9.063 -11.826 1.00 0.00 H new ATOM 0 HB THR A 50 4.493 8.770 -11.402 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.361 6.797 -12.019 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.132 9.257 -13.790 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.758 10.664 -12.898 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.844 9.717 -13.942 1.00 0.00 H new ATOM 873 N ILE A 51 6.094 11.179 -9.811 1.00 0.00 N ATOM 874 CA ILE A 51 6.100 12.582 -9.347 1.00 0.00 C ATOM 875 C ILE A 51 7.396 12.972 -8.608 1.00 0.00 C ATOM 876 O ILE A 51 7.727 14.155 -8.494 1.00 0.00 O ATOM 877 CB ILE A 51 4.784 12.878 -8.566 1.00 0.00 C ATOM 878 CG1 ILE A 51 3.699 13.445 -9.512 1.00 0.00 C ATOM 879 CG2 ILE A 51 4.909 13.897 -7.425 1.00 0.00 C ATOM 880 CD1 ILE A 51 3.144 12.444 -10.522 1.00 0.00 C ATOM 0 H ILE A 51 5.685 10.544 -9.126 1.00 0.00 H new ATOM 0 HA ILE A 51 6.110 13.242 -10.215 1.00 0.00 H new ATOM 0 HB ILE A 51 4.525 11.909 -8.140 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.875 13.827 -8.909 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.117 14.293 -10.054 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.938 14.030 -6.948 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.628 13.534 -6.690 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.250 14.852 -7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.391 12.931 -11.141 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.953 12.079 -11.155 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.692 11.606 -9.992 1.00 0.00 H new ATOM 892 N ASN A 52 8.169 11.983 -8.168 1.00 0.00 N ATOM 893 CA ASN A 52 9.527 12.156 -7.636 1.00 0.00 C ATOM 894 C ASN A 52 10.544 12.521 -8.751 1.00 0.00 C ATOM 895 O ASN A 52 10.279 12.346 -9.947 1.00 0.00 O ATOM 896 CB ASN A 52 9.900 10.872 -6.860 1.00 0.00 C ATOM 897 CG ASN A 52 11.100 10.993 -5.927 1.00 0.00 C ATOM 898 OD1 ASN A 52 11.674 12.051 -5.713 1.00 0.00 O ATOM 899 ND2 ASN A 52 11.515 9.902 -5.329 1.00 0.00 N ATOM 0 H ASN A 52 7.864 11.010 -8.170 1.00 0.00 H new ATOM 0 HA ASN A 52 9.561 13.002 -6.950 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.036 10.559 -6.273 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.100 10.079 -7.580 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.310 9.941 -4.692 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.042 9.015 -5.501 1.00 0.00 H new ATOM 906 N GLY A 53 11.721 13.026 -8.361 1.00 0.00 N ATOM 907 CA GLY A 53 12.807 13.465 -9.251 1.00 0.00 C ATOM 908 C GLY A 53 14.083 13.819 -8.490 1.00 0.00 C ATOM 909 O GLY A 53 14.150 14.939 -7.935 1.00 0.00 O ATOM 910 OXT GLY A 53 15.005 12.975 -8.453 1.00 0.00 O ATOM 0 H GLY A 53 11.954 13.146 -7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.024 12.675 -9.970 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.476 14.333 -9.821 1.00 0.00 H new TER 914 GLY A 53 ATOM 915 N MET B 1 -7.884 -5.134 21.133 1.00 0.00 N ATOM 916 CA MET B 1 -6.697 -5.638 20.397 1.00 0.00 C ATOM 917 C MET B 1 -7.147 -6.369 19.132 1.00 0.00 C ATOM 918 O MET B 1 -7.841 -7.383 19.202 1.00 0.00 O ATOM 919 CB MET B 1 -5.801 -6.509 21.305 1.00 0.00 C ATOM 920 CG MET B 1 -4.465 -6.937 20.675 1.00 0.00 C ATOM 921 SD MET B 1 -4.534 -8.338 19.518 1.00 0.00 S ATOM 922 CE MET B 1 -2.760 -8.629 19.275 1.00 0.00 C ATOM 0 H1 MET B 1 -7.574 -4.637 21.993 1.00 0.00 H new ATOM 0 H2 MET B 1 -8.416 -4.477 20.526 1.00 0.00 H new ATOM 0 H3 MET B 1 -8.495 -5.934 21.396 1.00 0.00 H new ATOM 0 HA MET B 1 -6.080 -4.794 20.089 1.00 0.00 H new ATOM 0 HB2 MET B 1 -5.594 -5.958 22.223 1.00 0.00 H new ATOM 0 HB3 MET B 1 -6.356 -7.403 21.588 1.00 0.00 H new ATOM 0 HG2 MET B 1 -4.044 -6.080 20.150 1.00 0.00 H new ATOM 0 HG3 MET B 1 -3.773 -7.190 21.478 1.00 0.00 H new ATOM 0 HE1 MET B 1 -2.619 -9.462 18.587 1.00 0.00 H new ATOM 0 HE2 MET B 1 -2.298 -7.733 18.860 1.00 0.00 H new ATOM 0 HE3 MET B 1 -2.296 -8.867 20.232 1.00 0.00 H new ATOM 934 N ASP B 2 -6.784 -5.824 17.971 1.00 0.00 N ATOM 935 CA ASP B 2 -7.004 -6.393 16.629 1.00 0.00 C ATOM 936 C ASP B 2 -5.961 -5.794 15.655 1.00 0.00 C ATOM 937 O ASP B 2 -5.133 -4.982 16.070 1.00 0.00 O ATOM 938 CB ASP B 2 -8.450 -6.102 16.177 1.00 0.00 C ATOM 939 CG ASP B 2 -8.971 -7.170 15.203 1.00 0.00 C ATOM 940 OD1 ASP B 2 -8.552 -7.155 14.023 1.00 0.00 O ATOM 941 OD2 ASP B 2 -9.788 -8.028 15.619 1.00 0.00 O ATOM 0 H ASP B 2 -6.302 -4.926 17.933 1.00 0.00 H new ATOM 0 HA ASP B 2 -6.875 -7.475 16.642 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -9.101 -6.058 17.050 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -8.491 -5.123 15.699 1.00 0.00 H new ATOM 946 N TYR B 3 -5.999 -6.150 14.365 1.00 0.00 N ATOM 947 CA TYR B 3 -5.052 -5.678 13.348 1.00 0.00 C ATOM 948 C TYR B 3 -5.675 -4.790 12.259 1.00 0.00 C ATOM 949 O TYR B 3 -4.952 -4.343 11.370 1.00 0.00 O ATOM 950 CB TYR B 3 -4.278 -6.870 12.743 1.00 0.00 C ATOM 951 CG TYR B 3 -5.112 -7.907 11.998 1.00 0.00 C ATOM 952 CD1 TYR B 3 -5.446 -7.728 10.637 1.00 0.00 C ATOM 953 CD2 TYR B 3 -5.525 -9.079 12.664 1.00 0.00 C ATOM 954 CE1 TYR B 3 -6.208 -8.700 9.960 1.00 0.00 C ATOM 955 CE2 TYR B 3 -6.283 -10.054 11.990 1.00 0.00 C ATOM 956 CZ TYR B 3 -6.632 -9.866 10.637 1.00 0.00 C ATOM 957 OH TYR B 3 -7.372 -10.813 9.995 1.00 0.00 O ATOM 0 H TYR B 3 -6.703 -6.787 13.992 1.00 0.00 H new ATOM 0 HA TYR B 3 -4.353 -5.022 13.866 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.527 -6.478 12.057 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.743 -7.375 13.547 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -5.116 -6.843 10.114 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -5.257 -9.230 13.699 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -6.469 -8.554 8.922 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -6.598 -10.947 12.509 1.00 0.00 H new ATOM 0 HH TYR B 3 -7.573 -11.546 10.614 1.00 0.00 H new ATOM 967 N LEU B 4 -6.986 -4.503 12.319 1.00 0.00 N ATOM 968 CA LEU B 4 -7.722 -3.852 11.216 1.00 0.00 C ATOM 969 C LEU B 4 -8.021 -2.358 11.381 1.00 0.00 C ATOM 970 O LEU B 4 -7.914 -1.606 10.410 1.00 0.00 O ATOM 971 CB LEU B 4 -8.950 -4.688 10.801 1.00 0.00 C ATOM 972 CG LEU B 4 -10.125 -4.677 11.795 1.00 0.00 C ATOM 973 CD1 LEU B 4 -11.136 -3.554 11.527 1.00 0.00 C ATOM 974 CD2 LEU B 4 -10.911 -5.986 11.722 1.00 0.00 C ATOM 0 H LEU B 4 -7.567 -4.714 13.131 1.00 0.00 H new ATOM 0 HA LEU B 4 -7.020 -3.841 10.382 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -9.308 -4.323 9.838 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -8.632 -5.720 10.653 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.664 -4.529 12.772 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -11.938 -3.603 12.263 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -10.635 -2.589 11.600 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -11.553 -3.671 10.527 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -11.736 -5.955 12.433 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -11.305 -6.118 10.714 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -10.253 -6.820 11.966 1.00 0.00 H new ATOM 986 N ARG B 5 -8.310 -1.892 12.602 1.00 0.00 N ATOM 987 CA ARG B 5 -8.409 -0.448 12.915 1.00 0.00 C ATOM 988 C ARG B 5 -7.079 0.270 12.649 1.00 0.00 C ATOM 989 O ARG B 5 -7.056 1.398 12.163 1.00 0.00 O ATOM 990 CB ARG B 5 -8.884 -0.275 14.370 1.00 0.00 C ATOM 991 CG ARG B 5 -9.269 1.178 14.695 1.00 0.00 C ATOM 992 CD ARG B 5 -9.719 1.306 16.155 1.00 0.00 C ATOM 993 NE ARG B 5 -10.144 2.684 16.471 1.00 0.00 N ATOM 994 CZ ARG B 5 -10.328 3.199 17.675 1.00 0.00 C ATOM 995 NH1 ARG B 5 -10.130 2.510 18.764 1.00 0.00 N ATOM 996 NH2 ARG B 5 -10.719 4.433 17.811 1.00 0.00 N ATOM 0 H ARG B 5 -8.483 -2.498 13.404 1.00 0.00 H new ATOM 0 HA ARG B 5 -9.144 0.016 12.257 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -9.742 -0.923 14.548 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -8.094 -0.598 15.048 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -8.418 1.834 14.513 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -10.071 1.504 14.032 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -10.542 0.618 16.345 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -8.902 1.016 16.816 1.00 0.00 H new ATOM 0 HE ARG B 5 -10.313 3.303 15.678 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -9.823 1.539 18.704 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -10.282 2.942 19.675 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -10.885 5.009 16.986 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -10.859 4.824 18.743 1.00 0.00 H new ATOM 1010 N GLU B 6 -5.977 -0.435 12.904 1.00 0.00 N ATOM 1011 CA GLU B 6 -4.603 -0.028 12.598 1.00 0.00 C ATOM 1012 C GLU B 6 -4.410 0.329 11.111 1.00 0.00 C ATOM 1013 O GLU B 6 -3.817 1.355 10.788 1.00 0.00 O ATOM 1014 CB GLU B 6 -3.673 -1.176 13.034 1.00 0.00 C ATOM 1015 CG GLU B 6 -2.190 -0.785 12.995 1.00 0.00 C ATOM 1016 CD GLU B 6 -1.333 -1.770 13.816 1.00 0.00 C ATOM 1017 OE1 GLU B 6 -1.271 -2.975 13.467 1.00 0.00 O ATOM 1018 OE2 GLU B 6 -0.720 -1.347 14.827 1.00 0.00 O ATOM 0 H GLU B 6 -6.019 -1.351 13.352 1.00 0.00 H new ATOM 0 HA GLU B 6 -4.362 0.885 13.143 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -3.936 -1.487 14.045 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -3.835 -2.036 12.384 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -1.842 -0.769 11.962 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -2.067 0.224 13.388 1.00 0.00 H new ATOM 1025 N LEU B 7 -4.969 -0.483 10.206 1.00 0.00 N ATOM 1026 CA LEU B 7 -4.896 -0.281 8.749 1.00 0.00 C ATOM 1027 C LEU B 7 -5.636 0.987 8.305 1.00 0.00 C ATOM 1028 O LEU B 7 -5.034 1.859 7.685 1.00 0.00 O ATOM 1029 CB LEU B 7 -5.468 -1.508 8.008 1.00 0.00 C ATOM 1030 CG LEU B 7 -4.719 -2.822 8.262 1.00 0.00 C ATOM 1031 CD1 LEU B 7 -5.449 -3.974 7.573 1.00 0.00 C ATOM 1032 CD2 LEU B 7 -3.278 -2.776 7.765 1.00 0.00 C ATOM 0 H LEU B 7 -5.496 -1.316 10.468 1.00 0.00 H new ATOM 0 HA LEU B 7 -3.844 -0.158 8.493 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.510 -1.638 8.301 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -5.461 -1.304 6.937 1.00 0.00 H new ATOM 0 HG LEU B 7 -4.695 -2.974 9.341 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -4.913 -4.906 7.756 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -6.461 -4.053 7.970 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -5.494 -3.786 6.500 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -2.792 -3.730 7.969 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -3.269 -2.586 6.692 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.741 -1.979 8.279 1.00 0.00 H new ATOM 1044 N TYR B 8 -6.919 1.098 8.668 1.00 0.00 N ATOM 1045 CA TYR B 8 -7.841 2.215 8.381 1.00 0.00 C ATOM 1046 C TYR B 8 -7.224 3.573 8.708 1.00 0.00 C ATOM 1047 O TYR B 8 -7.340 4.521 7.933 1.00 0.00 O ATOM 1048 CB TYR B 8 -9.073 1.985 9.292 1.00 0.00 C ATOM 1049 CG TYR B 8 -10.448 2.519 8.905 1.00 0.00 C ATOM 1050 CD1 TYR B 8 -10.618 3.718 8.183 1.00 0.00 C ATOM 1051 CD2 TYR B 8 -11.587 1.836 9.386 1.00 0.00 C ATOM 1052 CE1 TYR B 8 -11.911 4.229 7.955 1.00 0.00 C ATOM 1053 CE2 TYR B 8 -12.882 2.337 9.144 1.00 0.00 C ATOM 1054 CZ TYR B 8 -13.046 3.543 8.432 1.00 0.00 C ATOM 1055 OH TYR B 8 -14.282 4.073 8.228 1.00 0.00 O ATOM 0 H TYR B 8 -7.376 0.363 9.207 1.00 0.00 H new ATOM 0 HA TYR B 8 -8.089 2.232 7.320 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -9.175 0.908 9.425 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -8.831 2.405 10.268 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -9.755 4.246 7.804 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -11.464 0.920 9.945 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -12.033 5.154 7.410 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -13.747 1.798 9.503 1.00 0.00 H new ATOM 0 HH TYR B 8 -14.960 3.481 8.615 1.00 0.00 H new ATOM 1065 N LYS B 9 -6.549 3.664 9.853 1.00 0.00 N ATOM 1066 CA LYS B 9 -5.958 4.914 10.339 1.00 0.00 C ATOM 1067 C LYS B 9 -4.830 5.433 9.457 1.00 0.00 C ATOM 1068 O LYS B 9 -4.905 6.568 8.993 1.00 0.00 O ATOM 1069 CB LYS B 9 -5.562 4.729 11.816 1.00 0.00 C ATOM 1070 CG LYS B 9 -6.819 4.791 12.705 1.00 0.00 C ATOM 1071 CD LYS B 9 -6.551 4.413 14.166 1.00 0.00 C ATOM 1072 CE LYS B 9 -5.634 5.420 14.874 1.00 0.00 C ATOM 1073 NZ LYS B 9 -5.442 5.072 16.307 1.00 0.00 N ATOM 0 H LYS B 9 -6.395 2.870 10.474 1.00 0.00 H new ATOM 0 HA LYS B 9 -6.704 5.707 10.279 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -5.058 3.772 11.950 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -4.857 5.505 12.113 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -7.232 5.799 12.668 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -7.577 4.122 12.297 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -7.498 4.350 14.701 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -6.097 3.423 14.204 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -4.666 5.447 14.373 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -6.061 6.420 14.796 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -4.817 5.773 16.754 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -6.363 5.071 16.790 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -5.011 4.128 16.380 1.00 0.00 H new ATOM 1087 N LEU B 10 -3.836 4.610 9.142 1.00 0.00 N ATOM 1088 CA LEU B 10 -2.808 4.930 8.161 1.00 0.00 C ATOM 1089 C LEU B 10 -3.344 5.067 6.723 1.00 0.00 C ATOM 1090 O LEU B 10 -2.864 5.921 5.974 1.00 0.00 O ATOM 1091 CB LEU B 10 -1.633 3.950 8.304 1.00 0.00 C ATOM 1092 CG LEU B 10 -0.885 4.199 9.635 1.00 0.00 C ATOM 1093 CD1 LEU B 10 -1.297 3.262 10.767 1.00 0.00 C ATOM 1094 CD2 LEU B 10 0.626 4.090 9.437 1.00 0.00 C ATOM 0 H LEU B 10 -3.721 3.690 9.567 1.00 0.00 H new ATOM 0 HA LEU B 10 -2.432 5.930 8.378 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.000 2.924 8.272 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.947 4.069 7.466 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.166 5.210 9.931 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -0.727 3.502 11.664 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.361 3.383 10.970 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.098 2.231 10.476 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.131 4.269 10.386 1.00 0.00 H new ATOM 0 HD22 LEU B 10 0.875 3.092 9.076 1.00 0.00 H new ATOM 0 HD23 LEU B 10 0.952 4.831 8.707 1.00 0.00 H new ATOM 1106 N GLU B 11 -4.398 4.332 6.358 1.00 0.00 N ATOM 1107 CA GLU B 11 -5.206 4.578 5.156 1.00 0.00 C ATOM 1108 C GLU B 11 -5.813 5.994 5.123 1.00 0.00 C ATOM 1109 O GLU B 11 -5.741 6.659 4.086 1.00 0.00 O ATOM 1110 CB GLU B 11 -6.269 3.455 5.048 1.00 0.00 C ATOM 1111 CG GLU B 11 -5.867 2.341 4.065 1.00 0.00 C ATOM 1112 CD GLU B 11 -5.991 2.701 2.582 1.00 0.00 C ATOM 1113 OE1 GLU B 11 -5.472 3.671 1.993 1.00 0.00 O ATOM 1114 OE2 GLU B 11 -6.541 2.019 1.697 1.00 0.00 O ATOM 0 H GLU B 11 -4.722 3.531 6.901 1.00 0.00 H new ATOM 0 HA GLU B 11 -4.564 4.545 4.275 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -6.432 3.021 6.034 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -7.217 3.889 4.730 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -4.835 2.055 4.268 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -6.485 1.465 4.262 1.00 0.00 H new ATOM 1121 N GLN B 12 -6.326 6.529 6.244 1.00 0.00 N ATOM 1122 CA GLN B 12 -6.827 7.900 6.301 1.00 0.00 C ATOM 1123 C GLN B 12 -5.759 8.968 6.511 1.00 0.00 C ATOM 1124 O GLN B 12 -5.980 10.118 6.144 1.00 0.00 O ATOM 1125 CB GLN B 12 -7.897 8.009 7.382 1.00 0.00 C ATOM 1126 CG GLN B 12 -9.191 7.393 6.859 1.00 0.00 C ATOM 1127 CD GLN B 12 -10.353 7.559 7.839 1.00 0.00 C ATOM 1128 OE1 GLN B 12 -10.258 7.271 9.025 1.00 0.00 O ATOM 1129 NE2 GLN B 12 -11.492 8.047 7.394 1.00 0.00 N ATOM 0 H GLN B 12 -6.402 6.022 7.126 1.00 0.00 H new ATOM 0 HA GLN B 12 -7.244 8.104 5.315 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -7.573 7.494 8.287 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -8.058 9.053 7.650 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -9.452 7.857 5.908 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -9.032 6.332 6.664 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -11.591 8.293 6.409 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -12.275 8.179 8.034 1.00 0.00 H new ATOM 1138 N GLN B 13 -4.588 8.617 7.030 1.00 0.00 N ATOM 1139 CA GLN B 13 -3.468 9.557 7.120 1.00 0.00 C ATOM 1140 C GLN B 13 -2.992 10.014 5.739 1.00 0.00 C ATOM 1141 O GLN B 13 -2.611 11.174 5.609 1.00 0.00 O ATOM 1142 CB GLN B 13 -2.300 8.961 7.924 1.00 0.00 C ATOM 1143 CG GLN B 13 -2.590 8.851 9.434 1.00 0.00 C ATOM 1144 CD GLN B 13 -1.651 9.725 10.266 1.00 0.00 C ATOM 1145 OE1 GLN B 13 -0.682 9.262 10.854 1.00 0.00 O ATOM 1146 NE2 GLN B 13 -1.885 11.019 10.341 1.00 0.00 N ATOM 0 H GLN B 13 -4.386 7.687 7.397 1.00 0.00 H new ATOM 0 HA GLN B 13 -3.836 10.435 7.650 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -2.067 7.970 7.533 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -1.414 9.578 7.776 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -3.622 9.144 9.627 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -2.490 7.812 9.747 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -2.688 11.421 9.857 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -1.263 11.619 10.883 1.00 0.00 H new ATOM 1155 N ALA B 14 -3.091 9.172 4.699 1.00 0.00 N ATOM 1156 CA ALA B 14 -2.821 9.594 3.328 1.00 0.00 C ATOM 1157 C ALA B 14 -3.946 10.509 2.829 1.00 0.00 C ATOM 1158 O ALA B 14 -3.656 11.600 2.365 1.00 0.00 O ATOM 1159 CB ALA B 14 -2.646 8.350 2.448 1.00 0.00 C ATOM 0 H ALA B 14 -3.358 8.192 4.789 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.898 10.172 3.282 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -2.444 8.656 1.422 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -1.812 7.755 2.820 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -3.558 7.753 2.476 1.00 0.00 H new ATOM 1165 N MET B 15 -5.223 10.141 2.995 1.00 0.00 N ATOM 1166 CA MET B 15 -6.380 11.010 2.678 1.00 0.00 C ATOM 1167 C MET B 15 -6.305 12.396 3.353 1.00 0.00 C ATOM 1168 O MET B 15 -6.585 13.405 2.707 1.00 0.00 O ATOM 1169 CB MET B 15 -7.680 10.342 3.152 1.00 0.00 C ATOM 1170 CG MET B 15 -7.999 9.044 2.409 1.00 0.00 C ATOM 1171 SD MET B 15 -9.733 8.911 1.903 1.00 0.00 S ATOM 1172 CE MET B 15 -9.724 10.230 0.659 1.00 0.00 C ATOM 0 H MET B 15 -5.492 9.226 3.356 1.00 0.00 H new ATOM 0 HA MET B 15 -6.362 11.149 1.597 1.00 0.00 H new ATOM 0 HB2 MET B 15 -7.605 10.133 4.219 1.00 0.00 H new ATOM 0 HB3 MET B 15 -8.507 11.040 3.022 1.00 0.00 H new ATOM 0 HG2 MET B 15 -7.364 8.975 1.526 1.00 0.00 H new ATOM 0 HG3 MET B 15 -7.749 8.197 3.048 1.00 0.00 H new ATOM 0 HE1 MET B 15 -10.595 10.126 0.012 1.00 0.00 H new ATOM 0 HE2 MET B 15 -9.755 11.199 1.156 1.00 0.00 H new ATOM 0 HE3 MET B 15 -8.816 10.159 0.060 1.00 0.00 H new ATOM 1182 N LYS B 16 -5.910 12.488 4.635 1.00 0.00 N ATOM 1183 CA LYS B 16 -5.773 13.781 5.330 1.00 0.00 C ATOM 1184 C LYS B 16 -4.565 14.572 4.827 1.00 0.00 C ATOM 1185 O LYS B 16 -4.640 15.794 4.692 1.00 0.00 O ATOM 1186 CB LYS B 16 -5.690 13.585 6.854 1.00 0.00 C ATOM 1187 CG LYS B 16 -6.705 14.502 7.555 1.00 0.00 C ATOM 1188 CD LYS B 16 -6.466 14.590 9.063 1.00 0.00 C ATOM 1189 CE LYS B 16 -7.572 15.430 9.717 1.00 0.00 C ATOM 1190 NZ LYS B 16 -7.265 15.751 11.136 1.00 0.00 N ATOM 0 H LYS B 16 -5.679 11.680 5.213 1.00 0.00 H new ATOM 0 HA LYS B 16 -6.668 14.361 5.104 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -5.892 12.544 7.107 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -4.682 13.809 7.204 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -6.648 15.501 7.122 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -7.713 14.132 7.371 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -6.451 13.590 9.497 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -5.492 15.038 9.261 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -7.703 16.356 9.157 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -8.517 14.889 9.664 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -8.038 16.319 11.538 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -7.165 14.869 11.678 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -6.377 16.290 11.186 1.00 0.00 H new ATOM 1204 N LEU B 17 -3.482 13.874 4.485 1.00 0.00 N ATOM 1205 CA LEU B 17 -2.340 14.454 3.784 1.00 0.00 C ATOM 1206 C LEU B 17 -2.750 14.975 2.399 1.00 0.00 C ATOM 1207 O LEU B 17 -2.361 16.077 2.035 1.00 0.00 O ATOM 1208 CB LEU B 17 -1.223 13.394 3.718 1.00 0.00 C ATOM 1209 CG LEU B 17 -0.216 13.494 4.874 1.00 0.00 C ATOM 1210 CD1 LEU B 17 0.695 12.270 4.857 1.00 0.00 C ATOM 1211 CD2 LEU B 17 0.675 14.734 4.781 1.00 0.00 C ATOM 0 H LEU B 17 -3.373 12.881 4.689 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.962 15.322 4.325 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.674 12.402 3.724 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.690 13.497 2.773 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.800 13.557 5.792 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.411 12.338 5.676 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.094 11.368 4.974 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.231 12.229 3.909 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.365 14.750 5.624 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.241 14.707 3.850 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.055 15.630 4.803 1.00 0.00 H new ATOM 1223 N TYR B 18 -3.603 14.250 1.674 1.00 0.00 N ATOM 1224 CA TYR B 18 -4.182 14.615 0.382 1.00 0.00 C ATOM 1225 C TYR B 18 -5.047 15.890 0.441 1.00 0.00 C ATOM 1226 O TYR B 18 -4.973 16.710 -0.477 1.00 0.00 O ATOM 1227 CB TYR B 18 -4.946 13.389 -0.170 1.00 0.00 C ATOM 1228 CG TYR B 18 -4.099 12.422 -0.977 1.00 0.00 C ATOM 1229 CD1 TYR B 18 -3.443 12.891 -2.122 1.00 0.00 C ATOM 1230 CD2 TYR B 18 -3.954 11.071 -0.605 1.00 0.00 C ATOM 1231 CE1 TYR B 18 -2.574 12.055 -2.840 1.00 0.00 C ATOM 1232 CE2 TYR B 18 -3.034 10.243 -1.277 1.00 0.00 C ATOM 1233 CZ TYR B 18 -2.308 10.752 -2.376 1.00 0.00 C ATOM 1234 OH TYR B 18 -1.357 9.996 -2.988 1.00 0.00 O ATOM 0 H TYR B 18 -3.927 13.337 1.993 1.00 0.00 H new ATOM 0 HA TYR B 18 -3.379 14.878 -0.307 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -5.391 12.850 0.666 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -5.766 13.741 -0.796 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -3.607 13.905 -2.455 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -4.551 10.668 0.200 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -2.109 12.411 -3.748 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.884 9.224 -0.953 1.00 0.00 H new ATOM 0 HH TYR B 18 -1.297 9.124 -2.545 1.00 0.00 H new ATOM 1244 N ARG B 19 -5.799 16.123 1.530 1.00 0.00 N ATOM 1245 CA ARG B 19 -6.535 17.389 1.759 1.00 0.00 C ATOM 1246 C ARG B 19 -5.605 18.605 1.846 1.00 0.00 C ATOM 1247 O ARG B 19 -5.859 19.621 1.204 1.00 0.00 O ATOM 1248 CB ARG B 19 -7.399 17.304 3.034 1.00 0.00 C ATOM 1249 CG ARG B 19 -8.575 16.321 2.914 1.00 0.00 C ATOM 1250 CD ARG B 19 -9.318 16.153 4.248 1.00 0.00 C ATOM 1251 NE ARG B 19 -10.062 17.371 4.640 1.00 0.00 N ATOM 1252 CZ ARG B 19 -11.318 17.668 4.348 1.00 0.00 C ATOM 1253 NH1 ARG B 19 -12.071 16.891 3.626 1.00 0.00 N ATOM 1254 NH2 ARG B 19 -11.849 18.775 4.787 1.00 0.00 N ATOM 0 H ARG B 19 -5.917 15.442 2.280 1.00 0.00 H new ATOM 0 HA ARG B 19 -7.181 17.527 0.892 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -6.769 17.004 3.871 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -7.787 18.296 3.267 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -9.270 16.677 2.153 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -8.206 15.352 2.579 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -10.012 15.316 4.171 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -8.602 15.901 5.030 1.00 0.00 H new ATOM 0 HE ARG B 19 -9.551 18.056 5.196 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -11.698 16.015 3.261 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -13.035 17.158 3.425 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -11.296 19.415 5.357 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -12.817 19.001 4.560 1.00 0.00 H new ATOM 1268 N GLU B 20 -4.516 18.504 2.609 1.00 0.00 N ATOM 1269 CA GLU B 20 -3.548 19.602 2.796 1.00 0.00 C ATOM 1270 C GLU B 20 -2.610 19.772 1.597 1.00 0.00 C ATOM 1271 O GLU B 20 -2.299 20.888 1.182 1.00 0.00 O ATOM 1272 CB GLU B 20 -2.707 19.322 4.048 1.00 0.00 C ATOM 1273 CG GLU B 20 -2.276 20.597 4.788 1.00 0.00 C ATOM 1274 CD GLU B 20 -3.461 21.288 5.494 1.00 0.00 C ATOM 1275 OE1 GLU B 20 -3.779 20.923 6.653 1.00 0.00 O ATOM 1276 OE2 GLU B 20 -4.077 22.208 4.903 1.00 0.00 O ATOM 0 H GLU B 20 -4.273 17.656 3.121 1.00 0.00 H new ATOM 0 HA GLU B 20 -4.119 20.525 2.902 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -3.279 18.691 4.728 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.819 18.758 3.762 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -1.512 20.347 5.524 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -1.822 21.290 4.080 1.00 0.00 H new ATOM 1283 N ALA B 21 -2.218 18.651 0.995 1.00 0.00 N ATOM 1284 CA ALA B 21 -1.523 18.609 -0.286 1.00 0.00 C ATOM 1285 C ALA B 21 -2.308 19.348 -1.376 1.00 0.00 C ATOM 1286 O ALA B 21 -1.693 20.034 -2.180 1.00 0.00 O ATOM 1287 CB ALA B 21 -1.234 17.161 -0.693 1.00 0.00 C ATOM 0 H ALA B 21 -2.379 17.727 1.395 1.00 0.00 H new ATOM 0 HA ALA B 21 -0.571 19.126 -0.169 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.715 17.149 -1.651 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.609 16.688 0.064 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -2.173 16.614 -0.782 1.00 0.00 H new ATOM 1293 N SER B 22 -3.647 19.297 -1.377 1.00 0.00 N ATOM 1294 CA SER B 22 -4.474 20.105 -2.288 1.00 0.00 C ATOM 1295 C SER B 22 -4.364 21.626 -2.056 1.00 0.00 C ATOM 1296 O SER B 22 -4.566 22.395 -2.998 1.00 0.00 O ATOM 1297 CB SER B 22 -5.940 19.662 -2.212 1.00 0.00 C ATOM 1298 OG SER B 22 -6.656 20.078 -3.367 1.00 0.00 O ATOM 0 H SER B 22 -4.186 18.699 -0.751 1.00 0.00 H new ATOM 0 HA SER B 22 -4.080 19.924 -3.288 1.00 0.00 H new ATOM 0 HB2 SER B 22 -5.992 18.577 -2.118 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.405 20.082 -1.320 1.00 0.00 H new ATOM 0 HG SER B 22 -7.588 19.783 -3.298 1.00 0.00 H new ATOM 1304 N GLU B 23 -4.015 22.090 -0.848 1.00 0.00 N ATOM 1305 CA GLU B 23 -3.738 23.516 -0.581 1.00 0.00 C ATOM 1306 C GLU B 23 -2.395 23.947 -1.192 1.00 0.00 C ATOM 1307 O GLU B 23 -2.335 24.916 -1.955 1.00 0.00 O ATOM 1308 CB GLU B 23 -3.777 23.793 0.931 1.00 0.00 C ATOM 1309 CG GLU B 23 -4.017 25.278 1.264 1.00 0.00 C ATOM 1310 CD GLU B 23 -2.776 25.961 1.878 1.00 0.00 C ATOM 1311 OE1 GLU B 23 -1.769 26.169 1.157 1.00 0.00 O ATOM 1312 OE2 GLU B 23 -2.808 26.321 3.080 1.00 0.00 O ATOM 0 H GLU B 23 -3.916 21.492 -0.027 1.00 0.00 H new ATOM 0 HA GLU B 23 -4.517 24.111 -1.058 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -4.565 23.192 1.385 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -2.836 23.473 1.378 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -4.305 25.807 0.356 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -4.852 25.359 1.959 1.00 0.00 H new ATOM 1319 N LYS B 24 -1.327 23.180 -0.927 1.00 0.00 N ATOM 1320 CA LYS B 24 0.008 23.418 -1.511 1.00 0.00 C ATOM 1321 C LYS B 24 0.050 23.200 -3.031 1.00 0.00 C ATOM 1322 O LYS B 24 0.652 23.997 -3.747 1.00 0.00 O ATOM 1323 CB LYS B 24 1.063 22.546 -0.812 1.00 0.00 C ATOM 1324 CG LYS B 24 1.342 22.971 0.645 1.00 0.00 C ATOM 1325 CD LYS B 24 2.847 22.930 0.960 1.00 0.00 C ATOM 1326 CE LYS B 24 3.154 23.315 2.415 1.00 0.00 C ATOM 1327 NZ LYS B 24 3.452 22.132 3.267 1.00 0.00 N ATOM 0 H LYS B 24 -1.361 22.375 -0.301 1.00 0.00 H new ATOM 0 HA LYS B 24 0.238 24.470 -1.343 1.00 0.00 H new ATOM 0 HB2 LYS B 24 0.730 21.508 -0.822 1.00 0.00 H new ATOM 0 HB3 LYS B 24 1.993 22.589 -1.379 1.00 0.00 H new ATOM 0 HG2 LYS B 24 0.961 23.978 0.812 1.00 0.00 H new ATOM 0 HG3 LYS B 24 0.807 22.311 1.328 1.00 0.00 H new ATOM 0 HD2 LYS B 24 3.229 21.928 0.764 1.00 0.00 H new ATOM 0 HD3 LYS B 24 3.374 23.608 0.289 1.00 0.00 H new ATOM 0 HE2 LYS B 24 4.004 23.997 2.435 1.00 0.00 H new ATOM 0 HE3 LYS B 24 2.303 23.854 2.832 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 3.098 22.300 4.230 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 2.987 21.291 2.869 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 4.480 21.977 3.298 1.00 0.00 H new ATOM 1341 N ALA B 25 -0.633 22.173 -3.538 1.00 0.00 N ATOM 1342 CA ALA B 25 -0.725 21.799 -4.952 1.00 0.00 C ATOM 1343 C ALA B 25 -1.926 22.445 -5.673 1.00 0.00 C ATOM 1344 O ALA B 25 -2.593 21.822 -6.498 1.00 0.00 O ATOM 1345 CB ALA B 25 -0.761 20.273 -5.086 1.00 0.00 C ATOM 0 H ALA B 25 -1.168 21.543 -2.940 1.00 0.00 H new ATOM 0 HA ALA B 25 0.166 22.187 -5.446 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -0.829 20.002 -6.139 1.00 0.00 H new ATOM 0 HB2 ALA B 25 0.148 19.849 -4.660 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -1.628 19.881 -4.554 1.00 0.00 H new ATOM 1351 N ARG B 26 -2.202 23.717 -5.360 1.00 0.00 N ATOM 1352 CA ARG B 26 -3.204 24.560 -6.035 1.00 0.00 C ATOM 1353 C ARG B 26 -3.061 24.655 -7.574 1.00 0.00 C ATOM 1354 O ARG B 26 -4.011 25.036 -8.256 1.00 0.00 O ATOM 1355 CB ARG B 26 -3.256 25.929 -5.319 1.00 0.00 C ATOM 1356 CG ARG B 26 -2.106 26.918 -5.626 1.00 0.00 C ATOM 1357 CD ARG B 26 -0.728 26.472 -5.111 1.00 0.00 C ATOM 1358 NE ARG B 26 0.302 27.514 -5.297 1.00 0.00 N ATOM 1359 CZ ARG B 26 1.567 27.446 -4.911 1.00 0.00 C ATOM 1360 NH1 ARG B 26 2.063 26.396 -4.321 1.00 0.00 N ATOM 1361 NH2 ARG B 26 2.373 28.448 -5.116 1.00 0.00 N ATOM 0 H ARG B 26 -1.720 24.206 -4.606 1.00 0.00 H new ATOM 0 HA ARG B 26 -4.172 24.069 -5.940 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -4.198 26.412 -5.577 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -3.273 25.750 -4.244 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -2.047 27.064 -6.705 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -2.349 27.885 -5.186 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -0.801 26.221 -4.053 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -0.423 25.565 -5.633 1.00 0.00 H new ATOM 0 HE ARG B 26 0.010 28.370 -5.769 1.00 0.00 H new ATOM 0 HH11 ARG B 26 1.471 25.585 -4.140 1.00 0.00 H new ATOM 0 HH12 ARG B 26 3.043 26.385 -4.040 1.00 0.00 H new ATOM 0 HH21 ARG B 26 2.031 29.292 -5.576 1.00 0.00 H new ATOM 0 HH22 ARG B 26 3.346 28.389 -4.816 1.00 0.00 H new ATOM 1375 N ASN B 27 -1.896 24.289 -8.125 1.00 0.00 N ATOM 1376 CA ASN B 27 -1.616 24.147 -9.561 1.00 0.00 C ATOM 1377 C ASN B 27 -2.273 22.869 -10.164 1.00 0.00 C ATOM 1378 O ASN B 27 -2.155 21.789 -9.571 1.00 0.00 O ATOM 1379 CB ASN B 27 -0.078 24.120 -9.700 1.00 0.00 C ATOM 1380 CG ASN B 27 0.394 24.250 -11.136 1.00 0.00 C ATOM 1381 OD1 ASN B 27 0.234 25.273 -11.773 1.00 0.00 O ATOM 1382 ND2 ASN B 27 0.993 23.208 -11.690 1.00 0.00 N ATOM 0 H ASN B 27 -1.081 24.073 -7.552 1.00 0.00 H new ATOM 0 HA ASN B 27 -2.046 24.977 -10.121 1.00 0.00 H new ATOM 0 HB2 ASN B 27 0.348 24.931 -9.109 1.00 0.00 H new ATOM 0 HB3 ASN B 27 0.302 23.188 -9.282 1.00 0.00 H new ATOM 0 HD21 ASN B 27 1.322 23.262 -12.654 1.00 0.00 H new ATOM 0 HD22 ASN B 27 1.126 22.351 -11.153 1.00 0.00 H new ATOM 1389 N PRO B 28 -2.922 22.925 -11.345 1.00 0.00 N ATOM 1390 CA PRO B 28 -3.772 21.841 -11.857 1.00 0.00 C ATOM 1391 C PRO B 28 -3.023 20.576 -12.306 1.00 0.00 C ATOM 1392 O PRO B 28 -3.640 19.520 -12.430 1.00 0.00 O ATOM 1393 CB PRO B 28 -4.576 22.452 -13.009 1.00 0.00 C ATOM 1394 CG PRO B 28 -3.653 23.550 -13.526 1.00 0.00 C ATOM 1395 CD PRO B 28 -2.993 24.064 -12.249 1.00 0.00 C ATOM 0 HA PRO B 28 -4.402 21.476 -11.046 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -4.799 21.715 -13.781 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -5.530 22.854 -12.667 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -2.919 23.162 -14.233 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -4.207 24.336 -14.040 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -1.999 24.460 -12.456 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -3.574 24.875 -11.809 1.00 0.00 H new ATOM 1403 N GLU B 29 -1.700 20.645 -12.508 1.00 0.00 N ATOM 1404 CA GLU B 29 -0.867 19.495 -12.903 1.00 0.00 C ATOM 1405 C GLU B 29 -0.987 18.322 -11.921 1.00 0.00 C ATOM 1406 O GLU B 29 -1.104 17.160 -12.312 1.00 0.00 O ATOM 1407 CB GLU B 29 0.597 19.956 -13.002 1.00 0.00 C ATOM 1408 CG GLU B 29 1.489 19.034 -13.846 1.00 0.00 C ATOM 1409 CD GLU B 29 1.129 19.096 -15.344 1.00 0.00 C ATOM 1410 OE1 GLU B 29 1.573 20.040 -16.041 1.00 0.00 O ATOM 1411 OE2 GLU B 29 0.400 18.200 -15.838 1.00 0.00 O ATOM 0 H GLU B 29 -1.170 21.510 -12.401 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.220 19.134 -13.869 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.623 20.959 -13.429 1.00 0.00 H new ATOM 0 HB3 GLU B 29 1.013 20.026 -11.997 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.533 19.317 -13.712 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.389 18.008 -13.491 1.00 0.00 H new ATOM 1418 N LYS B 30 -1.021 18.663 -10.630 1.00 0.00 N ATOM 1419 CA LYS B 30 -1.287 17.751 -9.514 1.00 0.00 C ATOM 1420 C LYS B 30 -2.775 17.627 -9.189 1.00 0.00 C ATOM 1421 O LYS B 30 -3.220 16.530 -8.857 1.00 0.00 O ATOM 1422 CB LYS B 30 -0.515 18.240 -8.284 1.00 0.00 C ATOM 1423 CG LYS B 30 -0.518 17.231 -7.118 1.00 0.00 C ATOM 1424 CD LYS B 30 0.379 16.005 -7.366 1.00 0.00 C ATOM 1425 CE LYS B 30 1.714 16.114 -6.619 1.00 0.00 C ATOM 1426 NZ LYS B 30 2.556 17.251 -7.073 1.00 0.00 N ATOM 0 H LYS B 30 -0.857 19.621 -10.321 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.953 16.756 -9.808 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.516 18.450 -8.571 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.948 19.180 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.187 17.736 -6.210 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -1.540 16.894 -6.942 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.143 15.103 -7.047 1.00 0.00 H new ATOM 0 HD3 LYS B 30 0.568 15.903 -8.435 1.00 0.00 H new ATOM 0 HE2 LYS B 30 1.517 16.221 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS B 30 2.270 15.186 -6.748 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 3.560 17.017 -6.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 2.379 17.433 -8.082 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 2.319 18.100 -6.521 1.00 0.00 H new ATOM 1440 N LYS B 31 -3.558 18.709 -9.310 1.00 0.00 N ATOM 1441 CA LYS B 31 -5.016 18.723 -9.060 1.00 0.00 C ATOM 1442 C LYS B 31 -5.851 17.787 -9.970 1.00 0.00 C ATOM 1443 O LYS B 31 -7.039 17.597 -9.719 1.00 0.00 O ATOM 1444 CB LYS B 31 -5.540 20.177 -9.001 1.00 0.00 C ATOM 1445 CG LYS B 31 -6.372 20.499 -7.740 1.00 0.00 C ATOM 1446 CD LYS B 31 -7.629 19.630 -7.611 1.00 0.00 C ATOM 1447 CE LYS B 31 -8.537 20.074 -6.461 1.00 0.00 C ATOM 1448 NZ LYS B 31 -9.816 19.313 -6.460 1.00 0.00 N ATOM 0 H LYS B 31 -3.193 19.619 -9.590 1.00 0.00 H new ATOM 0 HA LYS B 31 -5.164 18.276 -8.077 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -4.691 20.859 -9.047 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -6.150 20.368 -9.884 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -5.749 20.361 -6.856 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -6.664 21.549 -7.763 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -8.189 19.666 -8.546 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -7.334 18.592 -7.456 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -8.023 19.927 -5.511 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.745 21.140 -6.550 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -10.312 19.470 -5.560 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -10.414 19.638 -7.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -9.616 18.299 -6.573 1.00 0.00 H new ATOM 1462 N SER B 32 -5.231 17.111 -10.941 1.00 0.00 N ATOM 1463 CA SER B 32 -5.833 16.007 -11.721 1.00 0.00 C ATOM 1464 C SER B 32 -5.064 14.676 -11.608 1.00 0.00 C ATOM 1465 O SER B 32 -5.267 13.761 -12.407 1.00 0.00 O ATOM 1466 CB SER B 32 -6.021 16.434 -13.184 1.00 0.00 C ATOM 1467 OG SER B 32 -6.868 17.572 -13.273 1.00 0.00 O ATOM 0 H SER B 32 -4.271 17.316 -11.220 1.00 0.00 H new ATOM 0 HA SER B 32 -6.810 15.807 -11.282 1.00 0.00 H new ATOM 0 HB2 SER B 32 -5.052 16.661 -13.629 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.449 15.611 -13.756 1.00 0.00 H new ATOM 0 HG SER B 32 -6.973 17.829 -14.213 1.00 0.00 H new ATOM 1473 N VAL B 33 -4.219 14.541 -10.579 1.00 0.00 N ATOM 1474 CA VAL B 33 -3.477 13.318 -10.210 1.00 0.00 C ATOM 1475 C VAL B 33 -3.797 12.914 -8.770 1.00 0.00 C ATOM 1476 O VAL B 33 -4.119 11.753 -8.524 1.00 0.00 O ATOM 1477 CB VAL B 33 -1.956 13.513 -10.386 1.00 0.00 C ATOM 1478 CG1 VAL B 33 -1.157 12.288 -9.915 1.00 0.00 C ATOM 1479 CG2 VAL B 33 -1.598 13.771 -11.853 1.00 0.00 C ATOM 0 H VAL B 33 -4.021 15.317 -9.947 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.794 12.518 -10.879 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.692 14.375 -9.773 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -0.092 12.471 -10.058 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -1.356 12.108 -8.858 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.456 11.414 -10.494 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -0.520 13.905 -11.946 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.912 12.921 -12.459 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -2.106 14.671 -12.199 1.00 0.00 H new ATOM 1489 N LEU B 34 -3.804 13.853 -7.815 1.00 0.00 N ATOM 1490 CA LEU B 34 -4.222 13.556 -6.451 1.00 0.00 C ATOM 1491 C LEU B 34 -5.753 13.365 -6.353 1.00 0.00 C ATOM 1492 O LEU B 34 -6.222 12.689 -5.441 1.00 0.00 O ATOM 1493 CB LEU B 34 -3.570 14.590 -5.504 1.00 0.00 C ATOM 1494 CG LEU B 34 -4.466 15.734 -5.036 1.00 0.00 C ATOM 1495 CD1 LEU B 34 -3.828 16.546 -3.903 1.00 0.00 C ATOM 1496 CD2 LEU B 34 -4.817 16.736 -6.123 1.00 0.00 C ATOM 0 H LEU B 34 -3.524 14.822 -7.968 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.857 12.586 -6.114 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.199 14.063 -4.625 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.703 15.018 -6.008 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.369 15.220 -4.705 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.504 17.348 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.639 15.894 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -2.887 16.974 -4.248 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.456 17.515 -5.707 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.903 17.185 -6.513 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.344 16.227 -6.930 1.00 0.00 H new ATOM 1508 N GLN B 35 -6.531 13.880 -7.317 1.00 0.00 N ATOM 1509 CA GLN B 35 -7.991 13.739 -7.367 1.00 0.00 C ATOM 1510 C GLN B 35 -8.431 12.281 -7.620 1.00 0.00 C ATOM 1511 O GLN B 35 -9.328 11.775 -6.946 1.00 0.00 O ATOM 1512 CB GLN B 35 -8.513 14.682 -8.466 1.00 0.00 C ATOM 1513 CG GLN B 35 -10.044 14.806 -8.534 1.00 0.00 C ATOM 1514 CD GLN B 35 -10.659 15.508 -7.326 1.00 0.00 C ATOM 1515 OE1 GLN B 35 -10.126 16.477 -6.790 1.00 0.00 O ATOM 1516 NE2 GLN B 35 -11.805 15.065 -6.856 1.00 0.00 N ATOM 0 H GLN B 35 -6.154 14.416 -8.098 1.00 0.00 H new ATOM 0 HA GLN B 35 -8.416 14.009 -6.400 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -8.089 15.673 -8.306 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -8.148 14.330 -9.431 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -10.315 15.353 -9.437 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -10.476 13.809 -8.623 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -12.258 14.262 -7.291 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -12.240 15.525 -6.056 1.00 0.00 H new ATOM 1525 N LYS B 36 -7.775 11.582 -8.557 1.00 0.00 N ATOM 1526 CA LYS B 36 -8.067 10.171 -8.876 1.00 0.00 C ATOM 1527 C LYS B 36 -7.631 9.201 -7.772 1.00 0.00 C ATOM 1528 O LYS B 36 -8.332 8.222 -7.513 1.00 0.00 O ATOM 1529 CB LYS B 36 -7.491 9.792 -10.259 1.00 0.00 C ATOM 1530 CG LYS B 36 -5.988 10.088 -10.420 1.00 0.00 C ATOM 1531 CD LYS B 36 -5.372 9.571 -11.728 1.00 0.00 C ATOM 1532 CE LYS B 36 -5.835 10.390 -12.940 1.00 0.00 C ATOM 1533 NZ LYS B 36 -5.151 9.955 -14.187 1.00 0.00 N ATOM 0 H LYS B 36 -7.022 11.979 -9.120 1.00 0.00 H new ATOM 0 HA LYS B 36 -9.151 10.072 -8.929 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -7.661 8.729 -10.432 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -8.041 10.332 -11.030 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -5.835 11.166 -10.363 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -5.452 9.645 -9.581 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -4.285 9.609 -11.658 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -5.646 8.526 -11.870 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -6.913 10.286 -13.060 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -5.635 11.447 -12.764 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -5.488 10.529 -14.986 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -4.124 10.078 -14.081 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -5.363 8.953 -14.368 1.00 0.00 H new ATOM 1547 N ILE B 37 -6.541 9.504 -7.058 1.00 0.00 N ATOM 1548 CA ILE B 37 -6.167 8.795 -5.825 1.00 0.00 C ATOM 1549 C ILE B 37 -7.201 9.081 -4.725 1.00 0.00 C ATOM 1550 O ILE B 37 -7.683 8.141 -4.114 1.00 0.00 O ATOM 1551 CB ILE B 37 -4.745 9.207 -5.379 1.00 0.00 C ATOM 1552 CG1 ILE B 37 -3.657 8.856 -6.412 1.00 0.00 C ATOM 1553 CG2 ILE B 37 -4.445 8.600 -3.999 1.00 0.00 C ATOM 1554 CD1 ILE B 37 -2.249 9.381 -6.108 1.00 0.00 C ATOM 0 H ILE B 37 -5.892 10.247 -7.317 1.00 0.00 H new ATOM 0 HA ILE B 37 -6.158 7.722 -6.016 1.00 0.00 H new ATOM 0 HB ILE B 37 -4.723 10.294 -5.304 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -3.607 7.771 -6.504 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -3.966 9.244 -7.383 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -3.443 8.890 -3.684 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -5.173 8.965 -3.275 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -4.506 7.513 -4.058 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -1.567 9.074 -6.901 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -2.271 10.469 -6.050 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -1.906 8.973 -5.157 1.00 0.00 H new ATOM 1566 N LEU B 38 -7.609 10.340 -4.500 1.00 0.00 N ATOM 1567 CA LEU B 38 -8.639 10.679 -3.507 1.00 0.00 C ATOM 1568 C LEU B 38 -9.931 9.861 -3.684 1.00 0.00 C ATOM 1569 O LEU B 38 -10.469 9.358 -2.698 1.00 0.00 O ATOM 1570 CB LEU B 38 -8.943 12.190 -3.545 1.00 0.00 C ATOM 1571 CG LEU B 38 -8.040 13.053 -2.645 1.00 0.00 C ATOM 1572 CD1 LEU B 38 -8.268 14.534 -2.948 1.00 0.00 C ATOM 1573 CD2 LEU B 38 -8.357 12.813 -1.164 1.00 0.00 C ATOM 0 H LEU B 38 -7.236 11.148 -4.999 1.00 0.00 H new ATOM 0 HA LEU B 38 -8.236 10.417 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -8.848 12.540 -4.573 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -9.981 12.345 -3.250 1.00 0.00 H new ATOM 0 HG LEU B 38 -7.005 12.777 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -7.626 15.139 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -8.029 14.733 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -9.311 14.788 -2.760 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.707 13.433 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -9.398 13.072 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -8.192 11.763 -0.922 1.00 0.00 H new ATOM 1585 N GLU B 39 -10.406 9.667 -4.922 1.00 0.00 N ATOM 1586 CA GLU B 39 -11.596 8.845 -5.173 1.00 0.00 C ATOM 1587 C GLU B 39 -11.383 7.348 -4.911 1.00 0.00 C ATOM 1588 O GLU B 39 -12.281 6.673 -4.404 1.00 0.00 O ATOM 1589 CB GLU B 39 -12.096 9.057 -6.611 1.00 0.00 C ATOM 1590 CG GLU B 39 -12.747 10.431 -6.814 1.00 0.00 C ATOM 1591 CD GLU B 39 -13.255 10.600 -8.259 1.00 0.00 C ATOM 1592 OE1 GLU B 39 -14.271 9.965 -8.630 1.00 0.00 O ATOM 1593 OE2 GLU B 39 -12.655 11.390 -9.033 1.00 0.00 O ATOM 0 H GLU B 39 -9.986 10.066 -5.761 1.00 0.00 H new ATOM 0 HA GLU B 39 -12.348 9.179 -4.458 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.260 8.950 -7.302 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -12.816 8.278 -6.860 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -13.577 10.549 -6.118 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -12.025 11.215 -6.585 1.00 0.00 H new ATOM 1600 N ASP B 40 -10.192 6.828 -5.198 1.00 0.00 N ATOM 1601 CA ASP B 40 -9.785 5.472 -4.861 1.00 0.00 C ATOM 1602 C ASP B 40 -9.651 5.262 -3.347 1.00 0.00 C ATOM 1603 O ASP B 40 -10.052 4.216 -2.832 1.00 0.00 O ATOM 1604 CB ASP B 40 -8.442 5.229 -5.559 1.00 0.00 C ATOM 1605 CG ASP B 40 -8.529 4.631 -6.974 1.00 0.00 C ATOM 1606 OD1 ASP B 40 -9.631 4.491 -7.556 1.00 0.00 O ATOM 1607 OD2 ASP B 40 -7.441 4.301 -7.499 1.00 0.00 O ATOM 0 H ASP B 40 -9.466 7.355 -5.684 1.00 0.00 H new ATOM 0 HA ASP B 40 -10.545 4.765 -5.194 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -7.906 6.176 -5.616 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -7.845 4.562 -4.938 1.00 0.00 H new ATOM 1612 N GLU B 41 -9.131 6.241 -2.607 1.00 0.00 N ATOM 1613 CA GLU B 41 -8.922 6.088 -1.161 1.00 0.00 C ATOM 1614 C GLU B 41 -10.254 6.177 -0.405 1.00 0.00 C ATOM 1615 O GLU B 41 -10.496 5.394 0.512 1.00 0.00 O ATOM 1616 CB GLU B 41 -7.921 7.111 -0.599 1.00 0.00 C ATOM 1617 CG GLU B 41 -6.483 7.095 -1.146 1.00 0.00 C ATOM 1618 CD GLU B 41 -5.695 5.805 -0.945 1.00 0.00 C ATOM 1619 OE1 GLU B 41 -6.182 4.816 -0.340 1.00 0.00 O ATOM 1620 OE2 GLU B 41 -4.538 5.725 -1.446 1.00 0.00 O ATOM 0 H GLU B 41 -8.847 7.147 -2.980 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.492 5.098 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -8.331 8.107 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.869 6.968 0.480 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -6.521 7.309 -2.214 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -5.930 7.909 -0.678 1.00 0.00 H new ATOM 1627 N GLU B 42 -11.169 7.049 -0.837 1.00 0.00 N ATOM 1628 CA GLU B 42 -12.542 7.088 -0.319 1.00 0.00 C ATOM 1629 C GLU B 42 -13.253 5.728 -0.480 1.00 0.00 C ATOM 1630 O GLU B 42 -13.982 5.292 0.417 1.00 0.00 O ATOM 1631 CB GLU B 42 -13.308 8.222 -1.019 1.00 0.00 C ATOM 1632 CG GLU B 42 -14.688 8.474 -0.398 1.00 0.00 C ATOM 1633 CD GLU B 42 -15.382 9.678 -1.064 1.00 0.00 C ATOM 1634 OE1 GLU B 42 -16.111 9.485 -2.068 1.00 0.00 O ATOM 1635 OE2 GLU B 42 -15.217 10.824 -0.581 1.00 0.00 O ATOM 0 H GLU B 42 -10.980 7.748 -1.555 1.00 0.00 H new ATOM 0 HA GLU B 42 -12.514 7.288 0.752 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -12.719 9.138 -0.969 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -13.428 7.977 -2.074 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -15.309 7.585 -0.509 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -14.582 8.657 0.671 1.00 0.00 H new ATOM 1642 N LYS B 43 -12.983 5.016 -1.585 1.00 0.00 N ATOM 1643 CA LYS B 43 -13.474 3.652 -1.830 1.00 0.00 C ATOM 1644 C LYS B 43 -12.906 2.637 -0.830 1.00 0.00 C ATOM 1645 O LYS B 43 -13.663 1.835 -0.291 1.00 0.00 O ATOM 1646 CB LYS B 43 -13.173 3.241 -3.286 1.00 0.00 C ATOM 1647 CG LYS B 43 -14.302 2.443 -3.955 1.00 0.00 C ATOM 1648 CD LYS B 43 -15.545 3.306 -4.242 1.00 0.00 C ATOM 1649 CE LYS B 43 -16.581 2.578 -5.110 1.00 0.00 C ATOM 1650 NZ LYS B 43 -16.160 2.481 -6.534 1.00 0.00 N ATOM 0 H LYS B 43 -12.408 5.378 -2.346 1.00 0.00 H new ATOM 0 HA LYS B 43 -14.554 3.652 -1.680 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -12.979 4.138 -3.873 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -12.261 2.645 -3.303 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -13.937 2.016 -4.889 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -14.583 1.609 -3.312 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -16.007 3.597 -3.298 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -15.238 4.224 -4.743 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -16.744 1.576 -4.713 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -17.534 3.103 -5.051 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -16.892 1.982 -7.079 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -16.030 3.437 -6.923 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -15.264 1.957 -6.596 1.00 0.00 H new ATOM 1664 N HIS B 44 -11.606 2.693 -0.508 1.00 0.00 N ATOM 1665 CA HIS B 44 -10.970 1.843 0.479 1.00 0.00 C ATOM 1666 C HIS B 44 -11.558 2.045 1.875 1.00 0.00 C ATOM 1667 O HIS B 44 -11.804 1.070 2.577 1.00 0.00 O ATOM 1668 CB HIS B 44 -9.480 2.191 0.484 1.00 0.00 C ATOM 1669 CG HIS B 44 -8.721 1.985 -0.801 1.00 0.00 C ATOM 1670 ND1 HIS B 44 -7.390 2.382 -1.034 1.00 0.00 N ATOM 1671 CD2 HIS B 44 -9.221 1.395 -1.922 1.00 0.00 C ATOM 1672 CE1 HIS B 44 -7.156 2.032 -2.323 1.00 0.00 C ATOM 1673 NE2 HIS B 44 -8.237 1.455 -2.868 1.00 0.00 N ATOM 0 H HIS B 44 -10.961 3.351 -0.944 1.00 0.00 H new ATOM 0 HA HIS B 44 -11.136 0.798 0.218 1.00 0.00 H new ATOM 0 HB2 HIS B 44 -9.378 3.237 0.772 1.00 0.00 H new ATOM 0 HB3 HIS B 44 -8.997 1.598 1.261 1.00 0.00 H new ATOM 0 HD2 HIS B 44 -10.204 0.964 -2.040 1.00 0.00 H new ATOM 0 HE1 HIS B 44 -6.223 2.196 -2.842 1.00 0.00 H new ATOM 0 HE2 HIS B 44 -8.312 1.118 -3.828 1.00 0.00 H new ATOM 1681 N ILE B 45 -11.820 3.296 2.262 1.00 0.00 N ATOM 1682 CA ILE B 45 -12.426 3.654 3.551 1.00 0.00 C ATOM 1683 C ILE B 45 -13.821 3.018 3.729 1.00 0.00 C ATOM 1684 O ILE B 45 -14.116 2.501 4.808 1.00 0.00 O ATOM 1685 CB ILE B 45 -12.390 5.197 3.714 1.00 0.00 C ATOM 1686 CG1 ILE B 45 -11.105 5.662 4.440 1.00 0.00 C ATOM 1687 CG2 ILE B 45 -13.590 5.760 4.493 1.00 0.00 C ATOM 1688 CD1 ILE B 45 -9.770 5.329 3.760 1.00 0.00 C ATOM 0 H ILE B 45 -11.613 4.106 1.678 1.00 0.00 H new ATOM 0 HA ILE B 45 -11.843 3.232 4.370 1.00 0.00 H new ATOM 0 HB ILE B 45 -12.421 5.581 2.694 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -11.160 6.743 4.570 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -11.099 5.221 5.437 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -13.499 6.844 4.568 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -14.513 5.509 3.971 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -13.610 5.327 5.493 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -8.948 5.708 4.367 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -9.675 4.248 3.654 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -9.738 5.794 2.775 1.00 0.00 H new ATOM 1700 N GLU B 46 -14.653 2.960 2.682 1.00 0.00 N ATOM 1701 CA GLU B 46 -15.941 2.254 2.712 1.00 0.00 C ATOM 1702 C GLU B 46 -15.790 0.742 2.943 1.00 0.00 C ATOM 1703 O GLU B 46 -16.561 0.143 3.696 1.00 0.00 O ATOM 1704 CB GLU B 46 -16.690 2.490 1.392 1.00 0.00 C ATOM 1705 CG GLU B 46 -17.315 3.882 1.260 1.00 0.00 C ATOM 1706 CD GLU B 46 -18.575 4.028 2.134 1.00 0.00 C ATOM 1707 OE1 GLU B 46 -19.678 3.623 1.687 1.00 0.00 O ATOM 1708 OE2 GLU B 46 -18.479 4.557 3.267 1.00 0.00 O ATOM 0 H GLU B 46 -14.451 3.403 1.786 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.503 2.657 3.554 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -15.999 2.335 0.563 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -17.476 1.741 1.295 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -16.584 4.638 1.547 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.572 4.068 0.217 1.00 0.00 H new ATOM 1715 N TRP B 47 -14.790 0.111 2.324 1.00 0.00 N ATOM 1716 CA TRP B 47 -14.511 -1.314 2.470 1.00 0.00 C ATOM 1717 C TRP B 47 -13.921 -1.642 3.848 1.00 0.00 C ATOM 1718 O TRP B 47 -14.290 -2.642 4.458 1.00 0.00 O ATOM 1719 CB TRP B 47 -13.534 -1.743 1.377 1.00 0.00 C ATOM 1720 CG TRP B 47 -13.874 -1.429 -0.050 1.00 0.00 C ATOM 1721 CD1 TRP B 47 -15.077 -1.073 -0.559 1.00 0.00 C ATOM 1722 CD2 TRP B 47 -12.958 -1.418 -1.181 1.00 0.00 C ATOM 1723 NE1 TRP B 47 -14.951 -0.818 -1.914 1.00 0.00 N ATOM 1724 CE2 TRP B 47 -13.658 -1.021 -2.354 1.00 0.00 C ATOM 1725 CE3 TRP B 47 -11.587 -1.699 -1.312 1.00 0.00 C ATOM 1726 CZ2 TRP B 47 -13.018 -0.905 -3.599 1.00 0.00 C ATOM 1727 CZ3 TRP B 47 -10.926 -1.589 -2.548 1.00 0.00 C ATOM 1728 CH2 TRP B 47 -11.640 -1.186 -3.694 1.00 0.00 C ATOM 0 H TRP B 47 -14.142 0.587 1.697 1.00 0.00 H new ATOM 0 HA TRP B 47 -15.451 -1.858 2.377 1.00 0.00 H new ATOM 0 HB2 TRP B 47 -12.569 -1.285 1.596 1.00 0.00 H new ATOM 0 HB3 TRP B 47 -13.401 -2.822 1.456 1.00 0.00 H new ATOM 0 HD1 TRP B 47 -15.995 -0.999 0.006 1.00 0.00 H new ATOM 0 HE1 TRP B 47 -15.719 -0.517 -2.514 1.00 0.00 H new ATOM 0 HE3 TRP B 47 -11.027 -2.007 -0.441 1.00 0.00 H new ATOM 0 HZ2 TRP B 47 -13.575 -0.604 -4.474 1.00 0.00 H new ATOM 0 HZ3 TRP B 47 -9.872 -1.813 -2.619 1.00 0.00 H new ATOM 0 HH2 TRP B 47 -11.133 -1.093 -4.643 1.00 0.00 H new ATOM 1739 N LEU B 48 -13.053 -0.772 4.368 1.00 0.00 N ATOM 1740 CA LEU B 48 -12.541 -0.817 5.738 1.00 0.00 C ATOM 1741 C LEU B 48 -13.680 -0.804 6.761 1.00 0.00 C ATOM 1742 O LEU B 48 -13.738 -1.661 7.640 1.00 0.00 O ATOM 1743 CB LEU B 48 -11.621 0.397 5.962 1.00 0.00 C ATOM 1744 CG LEU B 48 -10.125 0.104 6.061 1.00 0.00 C ATOM 1745 CD1 LEU B 48 -9.775 -0.898 7.165 1.00 0.00 C ATOM 1746 CD2 LEU B 48 -9.530 -0.384 4.744 1.00 0.00 C ATOM 0 H LEU B 48 -12.675 0.008 3.830 1.00 0.00 H new ATOM 0 HA LEU B 48 -11.985 -1.744 5.875 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -11.778 1.101 5.145 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -11.933 0.898 6.878 1.00 0.00 H new ATOM 0 HG LEU B 48 -9.681 1.066 6.316 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -8.697 -1.061 7.180 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -10.096 -0.504 8.129 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -10.282 -1.843 6.972 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -8.465 -0.576 4.875 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -10.029 -1.303 4.438 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -9.670 0.378 3.977 1.00 0.00 H new ATOM 1758 N GLU B 49 -14.611 0.136 6.607 1.00 0.00 N ATOM 1759 CA GLU B 49 -15.840 0.176 7.409 1.00 0.00 C ATOM 1760 C GLU B 49 -16.679 -1.100 7.263 1.00 0.00 C ATOM 1761 O GLU B 49 -17.112 -1.666 8.269 1.00 0.00 O ATOM 1762 CB GLU B 49 -16.700 1.390 7.042 1.00 0.00 C ATOM 1763 CG GLU B 49 -17.514 1.847 8.263 1.00 0.00 C ATOM 1764 CD GLU B 49 -18.516 2.961 7.912 1.00 0.00 C ATOM 1765 OE1 GLU B 49 -19.663 2.638 7.500 1.00 0.00 O ATOM 1766 OE2 GLU B 49 -18.187 4.159 8.081 1.00 0.00 O ATOM 0 H GLU B 49 -14.538 0.891 5.925 1.00 0.00 H new ATOM 0 HA GLU B 49 -15.520 0.255 8.448 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -16.064 2.204 6.693 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -17.371 1.136 6.222 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -18.052 0.995 8.678 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -16.835 2.203 9.037 1.00 0.00 H new ATOM 1773 N THR B 50 -16.858 -1.599 6.035 1.00 0.00 N ATOM 1774 CA THR B 50 -17.550 -2.870 5.774 1.00 0.00 C ATOM 1775 C THR B 50 -16.898 -4.075 6.478 1.00 0.00 C ATOM 1776 O THR B 50 -17.589 -5.014 6.881 1.00 0.00 O ATOM 1777 CB THR B 50 -17.646 -3.077 4.254 1.00 0.00 C ATOM 1778 OG1 THR B 50 -18.367 -2.020 3.650 1.00 0.00 O ATOM 1779 CG2 THR B 50 -18.381 -4.348 3.875 1.00 0.00 C ATOM 0 H THR B 50 -16.527 -1.133 5.190 1.00 0.00 H new ATOM 0 HA THR B 50 -18.551 -2.807 6.201 1.00 0.00 H new ATOM 0 HB THR B 50 -16.613 -3.125 3.908 1.00 0.00 H new ATOM 0 HG1 THR B 50 -17.808 -1.215 3.625 1.00 0.00 H new ATOM 0 HG21 THR B 50 -18.416 -4.438 2.789 1.00 0.00 H new ATOM 0 HG22 THR B 50 -17.860 -5.209 4.294 1.00 0.00 H new ATOM 0 HG23 THR B 50 -19.397 -4.312 4.269 1.00 0.00 H new ATOM 1787 N ILE B 51 -15.579 -4.029 6.684 1.00 0.00 N ATOM 1788 CA ILE B 51 -14.771 -5.062 7.367 1.00 0.00 C ATOM 1789 C ILE B 51 -14.721 -4.913 8.900 1.00 0.00 C ATOM 1790 O ILE B 51 -14.476 -5.886 9.621 1.00 0.00 O ATOM 1791 CB ILE B 51 -13.368 -5.121 6.703 1.00 0.00 C ATOM 1792 CG1 ILE B 51 -13.430 -5.758 5.292 1.00 0.00 C ATOM 1793 CG2 ILE B 51 -12.277 -5.819 7.539 1.00 0.00 C ATOM 1794 CD1 ILE B 51 -13.790 -7.251 5.242 1.00 0.00 C ATOM 0 H ILE B 51 -15.014 -3.240 6.369 1.00 0.00 H new ATOM 0 HA ILE B 51 -15.265 -6.024 7.233 1.00 0.00 H new ATOM 0 HB ILE B 51 -13.070 -4.075 6.628 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -14.161 -5.208 4.699 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -12.462 -5.622 4.811 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -11.335 -5.809 6.990 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -12.151 -5.293 8.485 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -12.572 -6.850 7.734 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -13.804 -7.587 4.205 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -13.048 -7.823 5.799 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -14.774 -7.403 5.686 1.00 0.00 H new ATOM 1806 N ASN B 52 -15.010 -3.724 9.414 1.00 0.00 N ATOM 1807 CA ASN B 52 -14.974 -3.389 10.842 1.00 0.00 C ATOM 1808 C ASN B 52 -16.286 -3.776 11.565 1.00 0.00 C ATOM 1809 O ASN B 52 -17.165 -2.936 11.784 1.00 0.00 O ATOM 1810 CB ASN B 52 -14.585 -1.908 11.010 1.00 0.00 C ATOM 1811 CG ASN B 52 -14.314 -1.523 12.457 1.00 0.00 C ATOM 1812 OD1 ASN B 52 -14.220 -2.343 13.361 1.00 0.00 O ATOM 1813 ND2 ASN B 52 -14.151 -0.246 12.733 1.00 0.00 N ATOM 0 H ASN B 52 -15.287 -2.934 8.831 1.00 0.00 H new ATOM 0 HA ASN B 52 -14.206 -3.987 11.333 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -13.697 -1.702 10.413 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -15.386 -1.281 10.617 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -13.950 0.048 13.689 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -14.226 0.450 11.991 1.00 0.00 H new ATOM 1820 N GLY B 53 -16.425 -5.071 11.892 1.00 0.00 N ATOM 1821 CA GLY B 53 -17.564 -5.683 12.605 1.00 0.00 C ATOM 1822 C GLY B 53 -18.009 -4.953 13.879 1.00 0.00 C ATOM 1823 O GLY B 53 -17.177 -4.798 14.801 1.00 0.00 O ATOM 1824 OXT GLY B 53 -19.204 -4.589 13.968 1.00 0.00 O ATOM 0 H GLY B 53 -15.709 -5.758 11.655 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -18.412 -5.737 11.922 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -17.299 -6.707 12.867 1.00 0.00 H new TER 1828 GLY B 53 HETATM 1829 ZN ZN A 54 -2.601 5.063 -1.095 1.00 0.00 ZN HETATM 1830 ZN ZN B 154 -5.997 3.167 0.342 1.00 0.00 ZN