USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=17 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: A 22 SER OG : rot 140:sc= 0.289 USER MOD Set 1.2: A 31 LYS NZ :NH3+ -151:sc= 0.293 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 30: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 X(o=0,f=0) USER MOD Single : A 15 MET CE :methyl 160:sc= -0.674 (180deg=-1.14) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 130:sc= -0.025 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.165 K(o=-0.16,f=-2.2!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= -0.165 (180deg=-0.165) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.0801 K(o=0.08,f=-2.7!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -141:sc= 0.55 (180deg=0.102) USER MOD Single : B 3 TYR OH : rot 130:sc= -0.235 USER MOD Single : B 8 TYR OH : rot 30: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=-0.011) USER MOD Single : B 13 GLN : amide:sc= -0.0311 K(o=-0.031,f=-1.3!) USER MOD Single : B 15 MET CE :methyl -112:sc= -0.0646 (180deg=-1.87) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 123:sc= 0.045 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 ASN : amide:sc= -0.0819 X(o=-0.082,f=-0.54) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ -151:sc= 0.00116 (180deg=0) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 52 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.449 19.744 3.060 1.00 0.00 N ATOM 2 CA MET A 1 7.487 20.539 2.345 1.00 0.00 C ATOM 3 C MET A 1 7.588 20.111 0.878 1.00 0.00 C ATOM 4 O MET A 1 6.918 20.706 0.035 1.00 0.00 O ATOM 5 CB MET A 1 8.860 20.524 3.056 1.00 0.00 C ATOM 6 CG MET A 1 8.879 21.370 4.335 1.00 0.00 C ATOM 7 SD MET A 1 10.493 21.391 5.168 1.00 0.00 S ATOM 8 CE MET A 1 10.113 22.508 6.545 1.00 0.00 C ATOM 0 H1 MET A 1 6.399 20.052 4.052 1.00 0.00 H new ATOM 0 H2 MET A 1 5.525 19.890 2.605 1.00 0.00 H new ATOM 0 H3 MET A 1 6.698 18.735 3.023 1.00 0.00 H new ATOM 0 HA MET A 1 7.162 21.579 2.368 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.125 19.496 3.303 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.623 20.894 2.370 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.593 22.393 4.089 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.128 20.987 5.026 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.000 22.636 7.165 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.802 23.476 6.153 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.308 22.084 7.146 1.00 0.00 H new ATOM 20 N ASP A 2 8.395 19.093 0.548 1.00 0.00 N ATOM 21 CA ASP A 2 8.652 18.641 -0.835 1.00 0.00 C ATOM 22 C ASP A 2 7.440 17.975 -1.519 1.00 0.00 C ATOM 23 O ASP A 2 7.368 17.933 -2.748 1.00 0.00 O ATOM 24 CB ASP A 2 9.822 17.642 -0.830 1.00 0.00 C ATOM 25 CG ASP A 2 11.133 18.279 -0.345 1.00 0.00 C ATOM 26 OD1 ASP A 2 11.868 18.865 -1.175 1.00 0.00 O ATOM 27 OD2 ASP A 2 11.429 18.195 0.871 1.00 0.00 O ATOM 0 H ASP A 2 8.900 18.547 1.246 1.00 0.00 H new ATOM 0 HA ASP A 2 8.882 19.538 -1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.572 16.797 -0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.963 17.247 -1.836 1.00 0.00 H new ATOM 32 N TYR A 3 6.500 17.450 -0.722 1.00 0.00 N ATOM 33 CA TYR A 3 5.330 16.670 -1.145 1.00 0.00 C ATOM 34 C TYR A 3 5.608 15.627 -2.252 1.00 0.00 C ATOM 35 O TYR A 3 4.915 15.575 -3.272 1.00 0.00 O ATOM 36 CB TYR A 3 4.137 17.590 -1.491 1.00 0.00 C ATOM 37 CG TYR A 3 3.416 18.341 -0.381 1.00 0.00 C ATOM 38 CD1 TYR A 3 3.460 17.934 0.971 1.00 0.00 C ATOM 39 CD2 TYR A 3 2.565 19.400 -0.756 1.00 0.00 C ATOM 40 CE1 TYR A 3 2.664 18.585 1.933 1.00 0.00 C ATOM 41 CE2 TYR A 3 1.767 20.047 0.203 1.00 0.00 C ATOM 42 CZ TYR A 3 1.811 19.644 1.553 1.00 0.00 C ATOM 43 OH TYR A 3 1.026 20.274 2.469 1.00 0.00 O ATOM 0 H TYR A 3 6.538 17.565 0.291 1.00 0.00 H new ATOM 0 HA TYR A 3 5.057 16.069 -0.278 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.494 18.331 -2.206 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.395 16.981 -2.007 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.106 17.121 1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.526 19.717 -1.788 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.706 18.273 2.966 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.117 20.856 -0.096 1.00 0.00 H new ATOM 0 HH TYR A 3 0.507 20.978 2.026 1.00 0.00 H new ATOM 53 N LEU A 4 6.599 14.751 -2.027 1.00 0.00 N ATOM 54 CA LEU A 4 6.764 13.535 -2.842 1.00 0.00 C ATOM 55 C LEU A 4 7.224 12.291 -2.071 1.00 0.00 C ATOM 56 O LEU A 4 6.563 11.266 -2.194 1.00 0.00 O ATOM 57 CB LEU A 4 7.587 13.832 -4.113 1.00 0.00 C ATOM 58 CG LEU A 4 9.031 14.306 -3.861 1.00 0.00 C ATOM 59 CD1 LEU A 4 10.041 13.161 -3.972 1.00 0.00 C ATOM 60 CD2 LEU A 4 9.438 15.376 -4.873 1.00 0.00 C ATOM 0 H LEU A 4 7.296 14.860 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 4 5.763 13.248 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.619 12.931 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.067 14.594 -4.694 1.00 0.00 H new ATOM 0 HG LEU A 4 9.044 14.707 -2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.045 13.542 -3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.803 12.393 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.995 12.731 -4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.461 15.694 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.375 14.966 -5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.769 16.232 -4.787 1.00 0.00 H new ATOM 72 N ARG A 5 8.250 12.350 -1.205 1.00 0.00 N ATOM 73 CA ARG A 5 8.548 11.235 -0.274 1.00 0.00 C ATOM 74 C ARG A 5 7.453 11.080 0.776 1.00 0.00 C ATOM 75 O ARG A 5 7.024 9.973 1.088 1.00 0.00 O ATOM 76 CB ARG A 5 9.908 11.440 0.420 1.00 0.00 C ATOM 77 CG ARG A 5 11.072 10.851 -0.389 1.00 0.00 C ATOM 78 CD ARG A 5 12.377 10.973 0.408 1.00 0.00 C ATOM 79 NE ARG A 5 13.454 10.150 -0.177 1.00 0.00 N ATOM 80 CZ ARG A 5 14.596 9.824 0.404 1.00 0.00 C ATOM 81 NH1 ARG A 5 14.935 10.280 1.578 1.00 0.00 N ATOM 82 NH2 ARG A 5 15.430 9.017 -0.188 1.00 0.00 N ATOM 0 H ARG A 5 8.883 13.146 -1.126 1.00 0.00 H new ATOM 0 HA ARG A 5 8.590 10.323 -0.869 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.078 12.506 0.573 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.883 10.976 1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.873 9.804 -0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 5 11.167 11.374 -1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.691 12.017 0.435 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.204 10.666 1.439 1.00 0.00 H new ATOM 0 HE ARG A 5 13.302 9.798 -1.122 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.310 10.911 2.080 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.825 10.006 1.994 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.204 8.633 -1.105 1.00 0.00 H new ATOM 0 HH22 ARG A 5 16.309 8.770 0.266 1.00 0.00 H new ATOM 96 N GLU A 6 6.974 12.204 1.294 1.00 0.00 N ATOM 97 CA GLU A 6 5.978 12.275 2.365 1.00 0.00 C ATOM 98 C GLU A 6 4.648 11.586 1.979 1.00 0.00 C ATOM 99 O GLU A 6 4.108 10.787 2.745 1.00 0.00 O ATOM 100 CB GLU A 6 5.812 13.773 2.684 1.00 0.00 C ATOM 101 CG GLU A 6 4.986 14.067 3.937 1.00 0.00 C ATOM 102 CD GLU A 6 5.192 15.512 4.449 1.00 0.00 C ATOM 103 OE1 GLU A 6 5.363 16.453 3.633 1.00 0.00 O ATOM 104 OE2 GLU A 6 5.193 15.714 5.688 1.00 0.00 O ATOM 0 H GLU A 6 7.276 13.124 0.972 1.00 0.00 H new ATOM 0 HA GLU A 6 6.306 11.728 3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.800 14.218 2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.342 14.263 1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.930 13.908 3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.259 13.363 4.723 1.00 0.00 H new ATOM 111 N LEU A 7 4.176 11.821 0.746 1.00 0.00 N ATOM 112 CA LEU A 7 2.974 11.223 0.142 1.00 0.00 C ATOM 113 C LEU A 7 3.136 9.749 -0.284 1.00 0.00 C ATOM 114 O LEU A 7 2.171 9.139 -0.731 1.00 0.00 O ATOM 115 CB LEU A 7 2.560 12.070 -1.080 1.00 0.00 C ATOM 116 CG LEU A 7 1.850 13.384 -0.720 1.00 0.00 C ATOM 117 CD1 LEU A 7 2.771 14.426 -0.095 1.00 0.00 C ATOM 118 CD2 LEU A 7 1.244 14.003 -1.981 1.00 0.00 C ATOM 0 H LEU A 7 4.645 12.466 0.110 1.00 0.00 H new ATOM 0 HA LEU A 7 2.206 11.223 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.449 12.299 -1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.902 11.476 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 7 1.090 13.120 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.200 15.326 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.201 14.027 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.571 14.670 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.741 14.935 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.035 14.205 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.524 13.310 -2.416 1.00 0.00 H new ATOM 130 N TYR A 8 4.332 9.174 -0.158 1.00 0.00 N ATOM 131 CA TYR A 8 4.707 7.827 -0.623 1.00 0.00 C ATOM 132 C TYR A 8 4.987 6.928 0.573 1.00 0.00 C ATOM 133 O TYR A 8 4.545 5.784 0.615 1.00 0.00 O ATOM 134 CB TYR A 8 6.014 8.015 -1.427 1.00 0.00 C ATOM 135 CG TYR A 8 6.502 7.008 -2.456 1.00 0.00 C ATOM 136 CD1 TYR A 8 6.155 5.644 -2.413 1.00 0.00 C ATOM 137 CD2 TYR A 8 7.421 7.463 -3.427 1.00 0.00 C ATOM 138 CE1 TYR A 8 6.737 4.746 -3.330 1.00 0.00 C ATOM 139 CE2 TYR A 8 7.987 6.569 -4.357 1.00 0.00 C ATOM 140 CZ TYR A 8 7.649 5.201 -4.303 1.00 0.00 C ATOM 141 OH TYR A 8 8.217 4.308 -5.159 1.00 0.00 O ATOM 0 H TYR A 8 5.110 9.655 0.294 1.00 0.00 H new ATOM 0 HA TYR A 8 3.915 7.372 -1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.924 8.969 -1.946 1.00 0.00 H new ATOM 0 HB3 TYR A 8 6.815 8.124 -0.696 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.446 5.288 -1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.693 8.508 -3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.481 3.698 -3.287 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.676 6.929 -5.107 1.00 0.00 H new ATOM 0 HH TYR A 8 7.600 3.562 -5.311 1.00 0.00 H new ATOM 151 N LYS A 9 5.682 7.461 1.577 1.00 0.00 N ATOM 152 CA LYS A 9 6.052 6.734 2.794 1.00 0.00 C ATOM 153 C LYS A 9 4.865 6.361 3.672 1.00 0.00 C ATOM 154 O LYS A 9 4.739 5.200 4.050 1.00 0.00 O ATOM 155 CB LYS A 9 7.120 7.539 3.558 1.00 0.00 C ATOM 156 CG LYS A 9 8.490 7.370 2.879 1.00 0.00 C ATOM 157 CD LYS A 9 9.629 8.133 3.568 1.00 0.00 C ATOM 158 CE LYS A 9 9.979 7.586 4.964 1.00 0.00 C ATOM 159 NZ LYS A 9 9.463 8.443 6.067 1.00 0.00 N ATOM 0 H LYS A 9 6.010 8.427 1.569 1.00 0.00 H new ATOM 0 HA LYS A 9 6.472 5.774 2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.844 8.593 3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.173 7.199 4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.742 6.310 2.852 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.415 7.707 1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.517 8.092 2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.350 9.183 3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.569 6.582 5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.062 7.499 5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.728 8.027 6.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.873 9.395 5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.427 8.506 6.002 1.00 0.00 H new ATOM 173 N LEU A 10 3.961 7.293 3.955 1.00 0.00 N ATOM 174 CA LEU A 10 2.715 7.005 4.663 1.00 0.00 C ATOM 175 C LEU A 10 1.764 6.124 3.831 1.00 0.00 C ATOM 176 O LEU A 10 1.118 5.226 4.370 1.00 0.00 O ATOM 177 CB LEU A 10 2.076 8.320 5.146 1.00 0.00 C ATOM 178 CG LEU A 10 2.785 8.858 6.408 1.00 0.00 C ATOM 179 CD1 LEU A 10 2.470 10.331 6.628 1.00 0.00 C ATOM 180 CD2 LEU A 10 2.361 8.097 7.667 1.00 0.00 C ATOM 0 H LEU A 10 4.071 8.274 3.699 1.00 0.00 H new ATOM 0 HA LEU A 10 2.939 6.409 5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.127 9.065 4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.020 8.156 5.361 1.00 0.00 H new ATOM 0 HG LEU A 10 3.853 8.720 6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.982 10.683 7.523 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.807 10.908 5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.395 10.459 6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.882 8.506 8.532 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.285 8.200 7.809 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.613 7.042 7.557 1.00 0.00 H new ATOM 192 N GLU A 11 1.768 6.298 2.506 1.00 0.00 N ATOM 193 CA GLU A 11 1.160 5.385 1.529 1.00 0.00 C ATOM 194 C GLU A 11 1.722 3.951 1.634 1.00 0.00 C ATOM 195 O GLU A 11 0.946 2.992 1.649 1.00 0.00 O ATOM 196 CB GLU A 11 1.357 6.022 0.130 1.00 0.00 C ATOM 197 CG GLU A 11 0.110 6.751 -0.394 1.00 0.00 C ATOM 198 CD GLU A 11 -0.995 5.855 -0.954 1.00 0.00 C ATOM 199 OE1 GLU A 11 -1.910 5.331 -0.300 1.00 0.00 O ATOM 200 OE2 GLU A 11 -1.272 5.709 -2.159 1.00 0.00 O ATOM 0 H GLU A 11 2.210 7.106 2.067 1.00 0.00 H new ATOM 0 HA GLU A 11 0.095 5.263 1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.188 6.726 0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.637 5.243 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.307 7.347 0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.419 7.446 -1.174 1.00 0.00 H new ATOM 207 N GLN A 12 3.041 3.771 1.793 1.00 0.00 N ATOM 208 CA GLN A 12 3.657 2.453 1.927 1.00 0.00 C ATOM 209 C GLN A 12 3.590 1.846 3.326 1.00 0.00 C ATOM 210 O GLN A 12 3.608 0.626 3.459 1.00 0.00 O ATOM 211 CB GLN A 12 5.106 2.502 1.452 1.00 0.00 C ATOM 212 CG GLN A 12 5.155 2.501 -0.075 1.00 0.00 C ATOM 213 CD GLN A 12 6.586 2.429 -0.608 1.00 0.00 C ATOM 214 OE1 GLN A 12 7.484 3.143 -0.181 1.00 0.00 O ATOM 215 NE2 GLN A 12 6.867 1.548 -1.547 1.00 0.00 N ATOM 0 H GLN A 12 3.709 4.541 1.832 1.00 0.00 H new ATOM 0 HA GLN A 12 3.062 1.793 1.296 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.594 3.396 1.839 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.655 1.645 1.842 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.585 1.653 -0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.674 3.403 -0.453 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.133 0.944 -1.916 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.819 1.470 -1.905 1.00 0.00 H new ATOM 224 N GLN A 13 3.463 2.651 4.374 1.00 0.00 N ATOM 225 CA GLN A 13 3.245 2.130 5.728 1.00 0.00 C ATOM 226 C GLN A 13 1.881 1.445 5.865 1.00 0.00 C ATOM 227 O GLN A 13 1.793 0.442 6.570 1.00 0.00 O ATOM 228 CB GLN A 13 3.417 3.230 6.786 1.00 0.00 C ATOM 229 CG GLN A 13 4.895 3.541 7.063 1.00 0.00 C ATOM 230 CD GLN A 13 5.049 4.561 8.188 1.00 0.00 C ATOM 231 OE1 GLN A 13 4.920 4.254 9.367 1.00 0.00 O ATOM 232 NE2 GLN A 13 5.330 5.810 7.881 1.00 0.00 N ATOM 0 H GLN A 13 3.507 3.668 4.317 1.00 0.00 H new ATOM 0 HA GLN A 13 4.009 1.372 5.904 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.913 4.137 6.451 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.933 2.920 7.712 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.418 2.622 7.329 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.364 3.924 6.156 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.441 6.083 6.904 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.437 6.505 8.620 1.00 0.00 H new ATOM 241 N ALA A 14 0.850 1.896 5.139 1.00 0.00 N ATOM 242 CA ALA A 14 -0.403 1.150 5.023 1.00 0.00 C ATOM 243 C ALA A 14 -0.208 -0.105 4.162 1.00 0.00 C ATOM 244 O ALA A 14 -0.631 -1.177 4.577 1.00 0.00 O ATOM 245 CB ALA A 14 -1.479 2.076 4.444 1.00 0.00 C ATOM 0 H ALA A 14 0.862 2.776 4.623 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.726 0.811 6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.418 1.530 4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.619 2.930 5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.166 2.427 3.460 1.00 0.00 H new ATOM 251 N MET A 15 0.494 -0.023 3.024 1.00 0.00 N ATOM 252 CA MET A 15 0.823 -1.203 2.191 1.00 0.00 C ATOM 253 C MET A 15 1.554 -2.305 2.953 1.00 0.00 C ATOM 254 O MET A 15 1.249 -3.481 2.770 1.00 0.00 O ATOM 255 CB MET A 15 1.742 -0.832 1.017 1.00 0.00 C ATOM 256 CG MET A 15 1.048 -0.078 -0.111 1.00 0.00 C ATOM 257 SD MET A 15 1.422 -0.761 -1.749 1.00 0.00 S ATOM 258 CE MET A 15 0.592 -2.365 -1.556 1.00 0.00 C ATOM 0 H MET A 15 0.852 0.856 2.650 1.00 0.00 H new ATOM 0 HA MET A 15 -0.149 -1.562 1.853 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.564 -0.223 1.393 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.180 -1.744 0.612 1.00 0.00 H new ATOM 0 HG2 MET A 15 -0.030 -0.103 0.051 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.350 0.969 -0.082 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.393 -2.792 -2.539 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.233 -3.041 -0.990 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.349 -2.226 -1.024 1.00 0.00 H new ATOM 268 N LYS A 16 2.523 -1.952 3.796 1.00 0.00 N ATOM 269 CA LYS A 16 3.297 -2.943 4.541 1.00 0.00 C ATOM 270 C LYS A 16 2.537 -3.502 5.733 1.00 0.00 C ATOM 271 O LYS A 16 2.691 -4.677 6.061 1.00 0.00 O ATOM 272 CB LYS A 16 4.605 -2.314 4.998 1.00 0.00 C ATOM 273 CG LYS A 16 5.565 -2.201 3.806 1.00 0.00 C ATOM 274 CD LYS A 16 6.916 -1.625 4.227 1.00 0.00 C ATOM 275 CE LYS A 16 7.831 -1.591 2.998 1.00 0.00 C ATOM 276 NZ LYS A 16 9.176 -1.044 3.322 1.00 0.00 N ATOM 0 H LYS A 16 2.791 -0.985 3.980 1.00 0.00 H new ATOM 0 HA LYS A 16 3.494 -3.783 3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.417 -1.327 5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.056 -2.919 5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.711 -3.185 3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.121 -1.567 3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.790 -0.622 4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.360 -2.235 5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.936 -2.599 2.596 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.370 -0.984 2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.764 -1.038 2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.078 -0.073 3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.627 -1.638 4.047 1.00 0.00 H new ATOM 290 N LEU A 17 1.657 -2.693 6.321 1.00 0.00 N ATOM 291 CA LEU A 17 0.624 -3.191 7.220 1.00 0.00 C ATOM 292 C LEU A 17 -0.281 -4.195 6.496 1.00 0.00 C ATOM 293 O LEU A 17 -0.452 -5.306 6.983 1.00 0.00 O ATOM 294 CB LEU A 17 -0.142 -1.993 7.806 1.00 0.00 C ATOM 295 CG LEU A 17 0.321 -1.642 9.229 1.00 0.00 C ATOM 296 CD1 LEU A 17 -0.369 -0.358 9.660 1.00 0.00 C ATOM 297 CD2 LEU A 17 -0.009 -2.720 10.268 1.00 0.00 C ATOM 0 H LEU A 17 1.642 -1.682 6.187 1.00 0.00 H new ATOM 0 HA LEU A 17 1.069 -3.738 8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.007 -1.127 7.159 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.208 -2.218 7.819 1.00 0.00 H new ATOM 0 HG LEU A 17 1.406 -1.545 9.189 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.051 -0.095 10.669 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.102 0.446 8.974 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.449 -0.503 9.647 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.348 -2.402 11.248 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.088 -2.871 10.306 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.478 -3.655 9.990 1.00 0.00 H new ATOM 309 N TYR A 18 -0.756 -3.871 5.290 1.00 0.00 N ATOM 310 CA TYR A 18 -1.522 -4.755 4.411 1.00 0.00 C ATOM 311 C TYR A 18 -0.788 -6.063 4.036 1.00 0.00 C ATOM 312 O TYR A 18 -1.405 -7.131 4.022 1.00 0.00 O ATOM 313 CB TYR A 18 -1.977 -3.929 3.188 1.00 0.00 C ATOM 314 CG TYR A 18 -3.309 -3.230 3.383 1.00 0.00 C ATOM 315 CD1 TYR A 18 -4.443 -4.006 3.672 1.00 0.00 C ATOM 316 CD2 TYR A 18 -3.424 -1.829 3.298 1.00 0.00 C ATOM 317 CE1 TYR A 18 -5.671 -3.391 3.969 1.00 0.00 C ATOM 318 CE2 TYR A 18 -4.651 -1.202 3.595 1.00 0.00 C ATOM 319 CZ TYR A 18 -5.765 -1.984 3.966 1.00 0.00 C ATOM 320 OH TYR A 18 -6.934 -1.381 4.302 1.00 0.00 O ATOM 0 H TYR A 18 -0.610 -2.947 4.884 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.397 -5.119 4.950 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.215 -3.183 2.961 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.046 -4.587 2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.371 -5.084 3.666 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.571 -1.234 3.005 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.538 -3.993 4.198 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.738 -0.127 3.539 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.764 -0.690 4.975 1.00 0.00 H new ATOM 330 N ARG A 19 0.535 -6.014 3.815 1.00 0.00 N ATOM 331 CA ARG A 19 1.412 -7.173 3.528 1.00 0.00 C ATOM 332 C ARG A 19 1.451 -8.216 4.653 1.00 0.00 C ATOM 333 O ARG A 19 1.653 -9.398 4.378 1.00 0.00 O ATOM 334 CB ARG A 19 2.820 -6.642 3.173 1.00 0.00 C ATOM 335 CG ARG A 19 3.745 -7.641 2.455 1.00 0.00 C ATOM 336 CD ARG A 19 4.671 -8.435 3.390 1.00 0.00 C ATOM 337 NE ARG A 19 5.556 -9.334 2.621 1.00 0.00 N ATOM 338 CZ ARG A 19 5.256 -10.531 2.145 1.00 0.00 C ATOM 339 NH1 ARG A 19 4.099 -11.094 2.358 1.00 0.00 N ATOM 340 NH2 ARG A 19 6.124 -11.188 1.428 1.00 0.00 N ATOM 0 H ARG A 19 1.049 -5.133 3.831 1.00 0.00 H new ATOM 0 HA ARG A 19 0.994 -7.715 2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.708 -5.760 2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.309 -6.317 4.092 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.132 -8.343 1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.356 -7.098 1.734 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.273 -7.746 3.983 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.073 -9.019 4.090 1.00 0.00 H new ATOM 0 HE ARG A 19 6.500 -8.995 2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.390 -10.610 2.908 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.904 -12.019 1.975 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.038 -10.779 1.233 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.889 -12.111 1.062 1.00 0.00 H new ATOM 354 N GLU A 20 1.220 -7.799 5.899 1.00 0.00 N ATOM 355 CA GLU A 20 1.228 -8.654 7.103 1.00 0.00 C ATOM 356 C GLU A 20 -0.173 -8.935 7.641 1.00 0.00 C ATOM 357 O GLU A 20 -0.464 -10.032 8.114 1.00 0.00 O ATOM 358 CB GLU A 20 2.025 -7.933 8.198 1.00 0.00 C ATOM 359 CG GLU A 20 2.721 -8.864 9.199 1.00 0.00 C ATOM 360 CD GLU A 20 3.940 -9.578 8.581 1.00 0.00 C ATOM 361 OE1 GLU A 20 5.061 -9.017 8.620 1.00 0.00 O ATOM 362 OE2 GLU A 20 3.788 -10.712 8.066 1.00 0.00 O ATOM 0 H GLU A 20 1.014 -6.823 6.113 1.00 0.00 H new ATOM 0 HA GLU A 20 1.674 -9.609 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.777 -7.302 7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.352 -7.272 8.744 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.041 -8.287 10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.009 -9.608 9.556 1.00 0.00 H new ATOM 369 N ALA A 21 -1.068 -7.963 7.492 1.00 0.00 N ATOM 370 CA ALA A 21 -2.510 -8.140 7.647 1.00 0.00 C ATOM 371 C ALA A 21 -3.029 -9.311 6.798 1.00 0.00 C ATOM 372 O ALA A 21 -3.910 -10.028 7.253 1.00 0.00 O ATOM 373 CB ALA A 21 -3.232 -6.838 7.290 1.00 0.00 C ATOM 0 H ALA A 21 -0.805 -7.007 7.254 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.717 -8.385 8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.307 -6.974 7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.893 -6.041 7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.010 -6.571 6.257 1.00 0.00 H new ATOM 379 N SER A 22 -2.442 -9.571 5.620 1.00 0.00 N ATOM 380 CA SER A 22 -2.727 -10.772 4.819 1.00 0.00 C ATOM 381 C SER A 22 -2.457 -12.102 5.553 1.00 0.00 C ATOM 382 O SER A 22 -3.114 -13.097 5.247 1.00 0.00 O ATOM 383 CB SER A 22 -1.947 -10.740 3.501 1.00 0.00 C ATOM 384 OG SER A 22 -2.421 -11.770 2.644 1.00 0.00 O ATOM 0 H SER A 22 -1.753 -8.951 5.194 1.00 0.00 H new ATOM 0 HA SER A 22 -3.799 -10.742 4.624 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.065 -9.769 3.020 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.882 -10.873 3.693 1.00 0.00 H new ATOM 0 HG SER A 22 -2.466 -11.435 1.724 1.00 0.00 H new ATOM 390 N GLU A 23 -1.527 -12.156 6.515 1.00 0.00 N ATOM 391 CA GLU A 23 -1.282 -13.353 7.342 1.00 0.00 C ATOM 392 C GLU A 23 -2.408 -13.586 8.366 1.00 0.00 C ATOM 393 O GLU A 23 -2.863 -14.711 8.576 1.00 0.00 O ATOM 394 CB GLU A 23 0.060 -13.194 8.076 1.00 0.00 C ATOM 395 CG GLU A 23 0.665 -14.511 8.583 1.00 0.00 C ATOM 396 CD GLU A 23 1.213 -15.386 7.436 1.00 0.00 C ATOM 397 OE1 GLU A 23 0.455 -16.218 6.883 1.00 0.00 O ATOM 398 OE2 GLU A 23 2.413 -15.260 7.090 1.00 0.00 O ATOM 0 H GLU A 23 -0.919 -11.370 6.745 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.254 -14.220 6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.773 -12.715 7.405 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.080 -12.523 8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.469 -14.292 9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.094 -15.069 9.131 1.00 0.00 H new ATOM 405 N LYS A 24 -2.896 -12.502 8.978 1.00 0.00 N ATOM 406 CA LYS A 24 -4.073 -12.496 9.870 1.00 0.00 C ATOM 407 C LYS A 24 -5.392 -12.716 9.112 1.00 0.00 C ATOM 408 O LYS A 24 -6.286 -13.401 9.609 1.00 0.00 O ATOM 409 CB LYS A 24 -4.075 -11.191 10.682 1.00 0.00 C ATOM 410 CG LYS A 24 -2.965 -11.202 11.748 1.00 0.00 C ATOM 411 CD LYS A 24 -2.771 -9.813 12.365 1.00 0.00 C ATOM 412 CE LYS A 24 -1.750 -9.881 13.510 1.00 0.00 C ATOM 413 NZ LYS A 24 -1.365 -8.529 13.998 1.00 0.00 N ATOM 0 H LYS A 24 -2.477 -11.579 8.868 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.998 -13.341 10.555 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.933 -10.342 10.013 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.044 -11.059 11.163 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.217 -11.918 12.531 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.030 -11.536 11.299 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.428 -9.113 11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.723 -9.436 12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.169 -10.458 14.335 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.860 -10.410 13.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.675 -8.622 14.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.941 -7.986 13.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.210 -8.032 14.347 1.00 0.00 H new ATOM 427 N ALA A 25 -5.463 -12.240 7.873 1.00 0.00 N ATOM 428 CA ALA A 25 -6.558 -12.406 6.918 1.00 0.00 C ATOM 429 C ALA A 25 -6.416 -13.675 6.045 1.00 0.00 C ATOM 430 O ALA A 25 -6.899 -13.696 4.912 1.00 0.00 O ATOM 431 CB ALA A 25 -6.628 -11.127 6.070 1.00 0.00 C ATOM 0 H ALA A 25 -4.702 -11.687 7.479 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.491 -12.554 7.462 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.436 -11.215 5.344 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.814 -10.271 6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.683 -10.986 5.545 1.00 0.00 H new ATOM 437 N ARG A 26 -5.760 -14.739 6.542 1.00 0.00 N ATOM 438 CA ARG A 26 -5.538 -16.020 5.833 1.00 0.00 C ATOM 439 C ARG A 26 -6.794 -16.687 5.250 1.00 0.00 C ATOM 440 O ARG A 26 -6.690 -17.459 4.297 1.00 0.00 O ATOM 441 CB ARG A 26 -4.803 -16.973 6.790 1.00 0.00 C ATOM 442 CG ARG A 26 -5.669 -17.414 7.988 1.00 0.00 C ATOM 443 CD ARG A 26 -4.824 -17.641 9.242 1.00 0.00 C ATOM 444 NE ARG A 26 -5.559 -18.448 10.239 1.00 0.00 N ATOM 445 CZ ARG A 26 -5.298 -18.565 11.529 1.00 0.00 C ATOM 446 NH1 ARG A 26 -4.302 -17.945 12.097 1.00 0.00 N ATOM 447 NH2 ARG A 26 -6.046 -19.320 12.283 1.00 0.00 N ATOM 0 H ARG A 26 -5.355 -14.735 7.478 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.940 -15.789 4.951 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.481 -17.856 6.238 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.903 -16.483 7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.424 -16.655 8.190 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.200 -18.332 7.735 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.896 -18.146 8.973 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.549 -16.681 9.678 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.360 -18.975 9.891 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.692 -17.344 11.542 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.132 -18.060 13.096 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.836 -19.823 11.878 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.842 -19.408 13.278 1.00 0.00 H new ATOM 461 N ASN A 27 -7.971 -16.399 5.813 1.00 0.00 N ATOM 462 CA ASN A 27 -9.272 -16.835 5.311 1.00 0.00 C ATOM 463 C ASN A 27 -9.533 -16.202 3.923 1.00 0.00 C ATOM 464 O ASN A 27 -9.524 -14.971 3.827 1.00 0.00 O ATOM 465 CB ASN A 27 -10.320 -16.405 6.359 1.00 0.00 C ATOM 466 CG ASN A 27 -11.739 -16.840 6.026 1.00 0.00 C ATOM 467 OD1 ASN A 27 -11.984 -17.880 5.438 1.00 0.00 O ATOM 468 ND2 ASN A 27 -12.725 -16.052 6.381 1.00 0.00 N ATOM 0 H ASN A 27 -8.044 -15.836 6.660 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.319 -17.915 5.173 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.041 -16.819 7.328 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.297 -15.320 6.458 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.688 -16.311 6.165 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.529 -15.180 6.873 1.00 0.00 H new ATOM 475 N PRO A 28 -9.789 -16.976 2.848 1.00 0.00 N ATOM 476 CA PRO A 28 -9.872 -16.438 1.484 1.00 0.00 C ATOM 477 C PRO A 28 -11.003 -15.416 1.288 1.00 0.00 C ATOM 478 O PRO A 28 -10.915 -14.558 0.411 1.00 0.00 O ATOM 479 CB PRO A 28 -9.999 -17.652 0.556 1.00 0.00 C ATOM 480 CG PRO A 28 -10.561 -18.746 1.460 1.00 0.00 C ATOM 481 CD PRO A 28 -9.953 -18.421 2.822 1.00 0.00 C ATOM 0 HA PRO A 28 -8.977 -15.859 1.254 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.664 -17.446 -0.283 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.034 -17.937 0.136 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.650 -18.723 1.490 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.272 -19.739 1.117 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.603 -18.755 3.630 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.996 -18.926 2.953 1.00 0.00 H new ATOM 489 N GLU A 29 -12.019 -15.440 2.156 1.00 0.00 N ATOM 490 CA GLU A 29 -13.096 -14.434 2.206 1.00 0.00 C ATOM 491 C GLU A 29 -12.577 -13.001 2.416 1.00 0.00 C ATOM 492 O GLU A 29 -13.140 -12.031 1.907 1.00 0.00 O ATOM 493 CB GLU A 29 -14.045 -14.796 3.359 1.00 0.00 C ATOM 494 CG GLU A 29 -15.480 -14.285 3.174 1.00 0.00 C ATOM 495 CD GLU A 29 -16.233 -15.052 2.069 1.00 0.00 C ATOM 496 OE1 GLU A 29 -16.817 -16.125 2.359 1.00 0.00 O ATOM 497 OE2 GLU A 29 -16.255 -14.587 0.903 1.00 0.00 O ATOM 0 H GLU A 29 -12.122 -16.172 2.859 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.605 -14.449 1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.068 -15.880 3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.643 -14.390 4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.022 -14.381 4.115 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.457 -13.224 2.926 1.00 0.00 H new ATOM 504 N LYS A 30 -11.478 -12.891 3.166 1.00 0.00 N ATOM 505 CA LYS A 30 -10.749 -11.659 3.486 1.00 0.00 C ATOM 506 C LYS A 30 -9.506 -11.481 2.619 1.00 0.00 C ATOM 507 O LYS A 30 -9.283 -10.372 2.129 1.00 0.00 O ATOM 508 CB LYS A 30 -10.405 -11.665 4.989 1.00 0.00 C ATOM 509 CG LYS A 30 -10.375 -10.251 5.602 1.00 0.00 C ATOM 510 CD LYS A 30 -11.644 -9.933 6.412 1.00 0.00 C ATOM 511 CE LYS A 30 -12.938 -10.044 5.588 1.00 0.00 C ATOM 512 NZ LYS A 30 -14.142 -10.020 6.462 1.00 0.00 N ATOM 0 H LYS A 30 -11.046 -13.710 3.593 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.386 -10.803 3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.137 -12.271 5.522 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.434 -12.139 5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.502 -10.157 6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.262 -9.515 4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.704 -10.613 7.262 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.565 -8.924 6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.988 -9.222 4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.925 -10.968 5.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.998 -10.097 5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.105 -10.819 7.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.166 -9.127 6.995 1.00 0.00 H new ATOM 526 N LYS A 31 -8.754 -12.556 2.339 1.00 0.00 N ATOM 527 CA LYS A 31 -7.574 -12.518 1.453 1.00 0.00 C ATOM 528 C LYS A 31 -7.868 -11.994 0.045 1.00 0.00 C ATOM 529 O LYS A 31 -7.007 -11.353 -0.544 1.00 0.00 O ATOM 530 CB LYS A 31 -6.869 -13.884 1.415 1.00 0.00 C ATOM 531 CG LYS A 31 -5.422 -13.761 0.910 1.00 0.00 C ATOM 532 CD LYS A 31 -4.690 -15.107 0.996 1.00 0.00 C ATOM 533 CE LYS A 31 -3.338 -15.075 0.265 1.00 0.00 C ATOM 534 NZ LYS A 31 -2.323 -14.234 0.954 1.00 0.00 N ATOM 0 H LYS A 31 -8.946 -13.482 2.721 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.894 -11.788 1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.871 -14.323 2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.424 -14.563 0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.422 -13.409 -0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.890 -13.016 1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.530 -15.367 2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.316 -15.888 0.566 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.957 -16.092 0.173 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.487 -14.698 -0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.660 -13.847 0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.798 -13.453 1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.801 -14.814 1.642 1.00 0.00 H new ATOM 548 N SER A 32 -9.093 -12.176 -0.447 1.00 0.00 N ATOM 549 CA SER A 32 -9.562 -11.659 -1.748 1.00 0.00 C ATOM 550 C SER A 32 -10.344 -10.336 -1.662 1.00 0.00 C ATOM 551 O SER A 32 -10.872 -9.864 -2.670 1.00 0.00 O ATOM 552 CB SER A 32 -10.391 -12.730 -2.473 1.00 0.00 C ATOM 553 OG SER A 32 -9.604 -13.889 -2.712 1.00 0.00 O ATOM 0 H SER A 32 -9.811 -12.699 0.055 1.00 0.00 H new ATOM 0 HA SER A 32 -8.664 -11.428 -2.320 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.263 -12.992 -1.873 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.762 -12.334 -3.418 1.00 0.00 H new ATOM 0 HG SER A 32 -10.146 -14.563 -3.173 1.00 0.00 H new ATOM 559 N VAL A 33 -10.382 -9.702 -0.484 1.00 0.00 N ATOM 560 CA VAL A 33 -10.980 -8.370 -0.255 1.00 0.00 C ATOM 561 C VAL A 33 -9.898 -7.338 0.045 1.00 0.00 C ATOM 562 O VAL A 33 -9.877 -6.296 -0.614 1.00 0.00 O ATOM 563 CB VAL A 33 -12.052 -8.417 0.857 1.00 0.00 C ATOM 564 CG1 VAL A 33 -12.500 -7.030 1.341 1.00 0.00 C ATOM 565 CG2 VAL A 33 -13.299 -9.143 0.339 1.00 0.00 C ATOM 0 H VAL A 33 -9.988 -10.109 0.364 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.486 -8.063 -1.171 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.588 -8.936 1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.253 -7.143 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.642 -6.489 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.923 -6.472 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.054 -9.175 1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.697 -8.611 -0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.034 -10.160 0.049 1.00 0.00 H new ATOM 575 N LEU A 34 -8.933 -7.624 0.935 1.00 0.00 N ATOM 576 CA LEU A 34 -7.803 -6.711 1.130 1.00 0.00 C ATOM 577 C LEU A 34 -6.856 -6.670 -0.096 1.00 0.00 C ATOM 578 O LEU A 34 -6.089 -5.718 -0.248 1.00 0.00 O ATOM 579 CB LEU A 34 -7.159 -6.971 2.510 1.00 0.00 C ATOM 580 CG LEU A 34 -5.937 -7.883 2.494 1.00 0.00 C ATOM 581 CD1 LEU A 34 -5.250 -7.939 3.861 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.230 -9.323 2.105 1.00 0.00 C ATOM 0 H LEU A 34 -8.914 -8.461 1.517 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.150 -5.679 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.873 -6.014 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.910 -7.408 3.167 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.298 -7.431 1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.384 -8.599 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.926 -6.938 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.950 -8.319 4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.305 -9.899 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.938 -9.754 2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.658 -9.349 1.103 1.00 0.00 H new ATOM 594 N GLN A 35 -6.948 -7.646 -1.016 1.00 0.00 N ATOM 595 CA GLN A 35 -6.152 -7.674 -2.250 1.00 0.00 C ATOM 596 C GLN A 35 -6.458 -6.504 -3.200 1.00 0.00 C ATOM 597 O GLN A 35 -5.558 -6.017 -3.883 1.00 0.00 O ATOM 598 CB GLN A 35 -6.357 -9.001 -3.000 1.00 0.00 C ATOM 599 CG GLN A 35 -5.099 -9.407 -3.783 1.00 0.00 C ATOM 600 CD GLN A 35 -5.318 -10.670 -4.617 1.00 0.00 C ATOM 601 OE1 GLN A 35 -5.643 -11.739 -4.118 1.00 0.00 O ATOM 602 NE2 GLN A 35 -5.147 -10.604 -5.922 1.00 0.00 N ATOM 0 H GLN A 35 -7.581 -8.440 -0.921 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.113 -7.575 -1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.613 -9.786 -2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.199 -8.906 -3.686 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.801 -8.588 -4.438 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.277 -9.572 -3.086 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.876 -9.722 -6.357 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.286 -11.435 -6.497 1.00 0.00 H new ATOM 611 N LYS A 36 -7.712 -6.028 -3.248 1.00 0.00 N ATOM 612 CA LYS A 36 -8.092 -4.890 -4.106 1.00 0.00 C ATOM 613 C LYS A 36 -7.477 -3.580 -3.623 1.00 0.00 C ATOM 614 O LYS A 36 -6.973 -2.812 -4.438 1.00 0.00 O ATOM 615 CB LYS A 36 -9.622 -4.764 -4.202 1.00 0.00 C ATOM 616 CG LYS A 36 -10.243 -5.907 -5.017 1.00 0.00 C ATOM 617 CD LYS A 36 -11.761 -5.722 -5.154 1.00 0.00 C ATOM 618 CE LYS A 36 -12.344 -6.814 -6.061 1.00 0.00 C ATOM 619 NZ LYS A 36 -13.813 -6.661 -6.230 1.00 0.00 N ATOM 0 H LYS A 36 -8.483 -6.413 -2.702 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.695 -5.091 -5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.049 -4.760 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.879 -3.810 -4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.787 -5.943 -6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.031 -6.861 -4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.231 -5.765 -4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.980 -4.738 -5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.859 -6.774 -7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.126 -7.794 -5.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.172 -7.416 -6.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.278 -6.724 -5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.019 -5.736 -6.658 1.00 0.00 H new ATOM 633 N ILE A 37 -7.439 -3.365 -2.305 1.00 0.00 N ATOM 634 CA ILE A 37 -6.691 -2.261 -1.692 1.00 0.00 C ATOM 635 C ILE A 37 -5.192 -2.430 -1.984 1.00 0.00 C ATOM 636 O ILE A 37 -4.580 -1.491 -2.476 1.00 0.00 O ATOM 637 CB ILE A 37 -6.963 -2.197 -0.170 1.00 0.00 C ATOM 638 CG1 ILE A 37 -8.447 -1.979 0.176 1.00 0.00 C ATOM 639 CG2 ILE A 37 -6.061 -1.125 0.469 1.00 0.00 C ATOM 640 CD1 ILE A 37 -8.784 -1.939 1.673 1.00 0.00 C ATOM 0 H ILE A 37 -7.927 -3.953 -1.630 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.025 -1.317 -2.124 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.715 -3.172 0.251 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.772 -1.042 -0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.030 -2.775 -0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.253 -1.080 1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.015 -1.380 0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.276 -0.155 0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.855 -1.781 1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.499 -2.884 2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.238 -1.124 2.147 1.00 0.00 H new ATOM 652 N LEU A 38 -4.604 -3.616 -1.770 1.00 0.00 N ATOM 653 CA LEU A 38 -3.195 -3.883 -2.112 1.00 0.00 C ATOM 654 C LEU A 38 -2.859 -3.513 -3.569 1.00 0.00 C ATOM 655 O LEU A 38 -1.848 -2.853 -3.812 1.00 0.00 O ATOM 656 CB LEU A 38 -2.855 -5.364 -1.841 1.00 0.00 C ATOM 657 CG LEU A 38 -2.448 -5.687 -0.393 1.00 0.00 C ATOM 658 CD1 LEU A 38 -2.463 -7.198 -0.161 1.00 0.00 C ATOM 659 CD2 LEU A 38 -1.031 -5.183 -0.100 1.00 0.00 C ATOM 0 H LEU A 38 -5.086 -4.414 -1.357 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.582 -3.246 -1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.720 -5.973 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.043 -5.661 -2.505 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.163 -5.193 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.173 -7.411 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.466 -7.584 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.761 -7.678 -0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.765 -5.423 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.326 -5.664 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.992 -4.103 -0.243 1.00 0.00 H new ATOM 671 N GLU A 39 -3.704 -3.886 -4.536 1.00 0.00 N ATOM 672 CA GLU A 39 -3.466 -3.576 -5.950 1.00 0.00 C ATOM 673 C GLU A 39 -3.643 -2.088 -6.277 1.00 0.00 C ATOM 674 O GLU A 39 -2.830 -1.511 -7.001 1.00 0.00 O ATOM 675 CB GLU A 39 -4.381 -4.459 -6.817 1.00 0.00 C ATOM 676 CG GLU A 39 -4.109 -4.313 -8.319 1.00 0.00 C ATOM 677 CD GLU A 39 -4.973 -5.297 -9.133 1.00 0.00 C ATOM 678 OE1 GLU A 39 -4.532 -6.449 -9.366 1.00 0.00 O ATOM 679 OE2 GLU A 39 -6.092 -4.922 -9.560 1.00 0.00 O ATOM 0 H GLU A 39 -4.564 -4.406 -4.363 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.423 -3.797 -6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.248 -5.502 -6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.421 -4.202 -6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.321 -3.291 -8.633 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.054 -4.496 -8.521 1.00 0.00 H new ATOM 686 N ASP A 40 -4.655 -1.442 -5.699 1.00 0.00 N ATOM 687 CA ASP A 40 -4.867 -0.007 -5.771 1.00 0.00 C ATOM 688 C ASP A 40 -3.695 0.783 -5.171 1.00 0.00 C ATOM 689 O ASP A 40 -3.280 1.794 -5.736 1.00 0.00 O ATOM 690 CB ASP A 40 -6.151 0.283 -4.989 1.00 0.00 C ATOM 691 CG ASP A 40 -7.460 0.147 -5.781 1.00 0.00 C ATOM 692 OD1 ASP A 40 -7.460 -0.193 -6.990 1.00 0.00 O ATOM 693 OD2 ASP A 40 -8.513 0.420 -5.158 1.00 0.00 O ATOM 0 H ASP A 40 -5.369 -1.923 -5.152 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.944 0.304 -6.813 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.194 -0.392 -4.134 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.092 1.297 -4.593 1.00 0.00 H new ATOM 698 N GLU A 41 -3.122 0.324 -4.054 1.00 0.00 N ATOM 699 CA GLU A 41 -1.995 1.025 -3.433 1.00 0.00 C ATOM 700 C GLU A 41 -0.713 0.841 -4.254 1.00 0.00 C ATOM 701 O GLU A 41 0.013 1.808 -4.475 1.00 0.00 O ATOM 702 CB GLU A 41 -1.750 0.612 -1.969 1.00 0.00 C ATOM 703 CG GLU A 41 -2.824 0.843 -0.883 1.00 0.00 C ATOM 704 CD GLU A 41 -3.428 2.243 -0.834 1.00 0.00 C ATOM 705 OE1 GLU A 41 -3.009 3.176 -1.564 1.00 0.00 O ATOM 706 OE2 GLU A 41 -4.384 2.456 -0.049 1.00 0.00 O ATOM 0 H GLU A 41 -3.417 -0.522 -3.566 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.270 2.080 -3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.525 -0.454 -1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.848 1.127 -1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.630 0.125 -1.037 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.383 0.624 0.090 1.00 0.00 H new ATOM 713 N GLU A 42 -0.464 -0.353 -4.796 1.00 0.00 N ATOM 714 CA GLU A 42 0.652 -0.581 -5.724 1.00 0.00 C ATOM 715 C GLU A 42 0.555 0.316 -6.976 1.00 0.00 C ATOM 716 O GLU A 42 1.575 0.818 -7.461 1.00 0.00 O ATOM 717 CB GLU A 42 0.728 -2.075 -6.079 1.00 0.00 C ATOM 718 CG GLU A 42 2.022 -2.427 -6.823 1.00 0.00 C ATOM 719 CD GLU A 42 2.163 -3.951 -6.997 1.00 0.00 C ATOM 720 OE1 GLU A 42 1.619 -4.508 -7.984 1.00 0.00 O ATOM 721 OE2 GLU A 42 2.832 -4.604 -6.159 1.00 0.00 O ATOM 0 H GLU A 42 -1.024 -1.185 -4.608 1.00 0.00 H new ATOM 0 HA GLU A 42 1.582 -0.298 -5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.663 -2.668 -5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.129 -2.344 -6.696 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.026 -1.944 -7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.879 -2.040 -6.272 1.00 0.00 H new ATOM 728 N LYS A 43 -0.669 0.602 -7.449 1.00 0.00 N ATOM 729 CA LYS A 43 -0.936 1.582 -8.513 1.00 0.00 C ATOM 730 C LYS A 43 -0.506 2.997 -8.111 1.00 0.00 C ATOM 731 O LYS A 43 0.205 3.654 -8.867 1.00 0.00 O ATOM 732 CB LYS A 43 -2.429 1.549 -8.907 1.00 0.00 C ATOM 733 CG LYS A 43 -2.651 1.647 -10.423 1.00 0.00 C ATOM 734 CD LYS A 43 -2.338 0.321 -11.132 1.00 0.00 C ATOM 735 CE LYS A 43 -2.632 0.434 -12.633 1.00 0.00 C ATOM 736 NZ LYS A 43 -2.408 -0.860 -13.330 1.00 0.00 N ATOM 0 H LYS A 43 -1.514 0.151 -7.097 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.337 1.302 -9.380 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.876 0.626 -8.539 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.947 2.372 -8.415 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.685 1.930 -10.621 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.020 2.436 -10.833 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.291 0.058 -10.979 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.935 -0.481 -10.697 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.664 0.754 -12.780 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.995 1.201 -13.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.616 -0.749 -14.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.417 -1.152 -13.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.034 -1.585 -12.926 1.00 0.00 H new ATOM 750 N HIS A 44 -0.864 3.464 -6.910 1.00 0.00 N ATOM 751 CA HIS A 44 -0.483 4.760 -6.388 1.00 0.00 C ATOM 752 C HIS A 44 1.031 4.891 -6.216 1.00 0.00 C ATOM 753 O HIS A 44 1.593 5.922 -6.567 1.00 0.00 O ATOM 754 CB HIS A 44 -1.191 4.924 -5.044 1.00 0.00 C ATOM 755 CG HIS A 44 -2.700 4.887 -5.043 1.00 0.00 C ATOM 756 ND1 HIS A 44 -3.519 4.889 -3.895 1.00 0.00 N ATOM 757 CD2 HIS A 44 -3.484 4.865 -6.159 1.00 0.00 C ATOM 758 CE1 HIS A 44 -4.784 4.854 -4.390 1.00 0.00 C ATOM 759 NE2 HIS A 44 -4.781 4.819 -5.732 1.00 0.00 N ATOM 0 H HIS A 44 -1.443 2.928 -6.264 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.776 5.540 -7.090 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.835 4.138 -4.378 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.877 5.874 -4.612 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.144 4.881 -7.184 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.677 4.854 -3.782 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.606 4.767 -6.330 1.00 0.00 H new ATOM 767 N ILE A 45 1.698 3.839 -5.731 1.00 0.00 N ATOM 768 CA ILE A 45 3.157 3.774 -5.579 1.00 0.00 C ATOM 769 C ILE A 45 3.888 3.980 -6.922 1.00 0.00 C ATOM 770 O ILE A 45 4.869 4.723 -6.972 1.00 0.00 O ATOM 771 CB ILE A 45 3.530 2.461 -4.838 1.00 0.00 C ATOM 772 CG1 ILE A 45 3.614 2.671 -3.306 1.00 0.00 C ATOM 773 CG2 ILE A 45 4.865 1.851 -5.304 1.00 0.00 C ATOM 774 CD1 ILE A 45 2.313 3.044 -2.586 1.00 0.00 C ATOM 0 H ILE A 45 1.227 2.987 -5.425 1.00 0.00 H new ATOM 0 HA ILE A 45 3.504 4.603 -4.962 1.00 0.00 H new ATOM 0 HB ILE A 45 2.725 1.769 -5.086 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.999 1.755 -2.858 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.347 3.454 -3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.062 0.937 -4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.808 1.620 -6.368 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.671 2.564 -5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.508 3.162 -1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.929 3.980 -2.991 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.576 2.255 -2.735 1.00 0.00 H new ATOM 786 N GLU A 46 3.393 3.411 -8.029 1.00 0.00 N ATOM 787 CA GLU A 46 3.930 3.674 -9.372 1.00 0.00 C ATOM 788 C GLU A 46 3.785 5.146 -9.793 1.00 0.00 C ATOM 789 O GLU A 46 4.719 5.730 -10.349 1.00 0.00 O ATOM 790 CB GLU A 46 3.227 2.770 -10.400 1.00 0.00 C ATOM 791 CG GLU A 46 3.819 1.360 -10.489 1.00 0.00 C ATOM 792 CD GLU A 46 5.169 1.355 -11.237 1.00 0.00 C ATOM 793 OE1 GLU A 46 5.171 1.317 -12.492 1.00 0.00 O ATOM 794 OE2 GLU A 46 6.236 1.381 -10.579 1.00 0.00 O ATOM 0 H GLU A 46 2.611 2.757 -8.020 1.00 0.00 H new ATOM 0 HA GLU A 46 4.997 3.452 -9.339 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.171 2.695 -10.142 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.283 3.240 -11.382 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.958 0.959 -9.485 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.117 0.702 -11.001 1.00 0.00 H new ATOM 801 N TRP A 47 2.640 5.769 -9.507 1.00 0.00 N ATOM 802 CA TRP A 47 2.370 7.166 -9.839 1.00 0.00 C ATOM 803 C TRP A 47 3.214 8.128 -8.991 1.00 0.00 C ATOM 804 O TRP A 47 3.708 9.137 -9.493 1.00 0.00 O ATOM 805 CB TRP A 47 0.885 7.451 -9.612 1.00 0.00 C ATOM 806 CG TRP A 47 -0.138 6.586 -10.293 1.00 0.00 C ATOM 807 CD1 TRP A 47 0.058 5.695 -11.294 1.00 0.00 C ATOM 808 CD2 TRP A 47 -1.557 6.513 -9.978 1.00 0.00 C ATOM 809 NE1 TRP A 47 -1.143 5.077 -11.606 1.00 0.00 N ATOM 810 CE2 TRP A 47 -2.175 5.541 -10.815 1.00 0.00 C ATOM 811 CE3 TRP A 47 -2.376 7.174 -9.044 1.00 0.00 C ATOM 812 CZ2 TRP A 47 -3.544 5.240 -10.721 1.00 0.00 C ATOM 813 CZ3 TRP A 47 -3.749 6.885 -8.933 1.00 0.00 C ATOM 814 CH2 TRP A 47 -4.333 5.915 -9.770 1.00 0.00 C ATOM 0 H TRP A 47 1.864 5.309 -9.031 1.00 0.00 H new ATOM 0 HA TRP A 47 2.636 7.327 -10.884 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.700 7.396 -8.539 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.698 8.481 -9.915 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.004 5.497 -11.775 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.251 4.367 -12.330 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.941 7.921 -8.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.986 4.499 -11.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.354 7.407 -8.206 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.385 5.689 -9.683 1.00 0.00 H new ATOM 825 N LEU A 48 3.425 7.790 -7.718 1.00 0.00 N ATOM 826 CA LEU A 48 4.349 8.462 -6.806 1.00 0.00 C ATOM 827 C LEU A 48 5.774 8.496 -7.367 1.00 0.00 C ATOM 828 O LEU A 48 6.400 9.553 -7.436 1.00 0.00 O ATOM 829 CB LEU A 48 4.334 7.711 -5.462 1.00 0.00 C ATOM 830 CG LEU A 48 3.667 8.426 -4.290 1.00 0.00 C ATOM 831 CD1 LEU A 48 4.228 9.826 -4.039 1.00 0.00 C ATOM 832 CD2 LEU A 48 2.151 8.513 -4.432 1.00 0.00 C ATOM 0 H LEU A 48 2.937 7.010 -7.278 1.00 0.00 H new ATOM 0 HA LEU A 48 4.027 9.495 -6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.830 6.756 -5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.364 7.488 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 48 3.902 7.802 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.711 10.279 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.293 9.757 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.080 10.442 -4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.734 9.032 -3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.902 9.062 -5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.733 7.508 -4.489 1.00 0.00 H new ATOM 844 N GLU A 49 6.266 7.344 -7.819 1.00 0.00 N ATOM 845 CA GLU A 49 7.557 7.232 -8.517 1.00 0.00 C ATOM 846 C GLU A 49 7.618 8.098 -9.791 1.00 0.00 C ATOM 847 O GLU A 49 8.615 8.783 -10.020 1.00 0.00 O ATOM 848 CB GLU A 49 7.860 5.758 -8.847 1.00 0.00 C ATOM 849 CG GLU A 49 9.304 5.349 -8.518 1.00 0.00 C ATOM 850 CD GLU A 49 10.366 6.092 -9.351 1.00 0.00 C ATOM 851 OE1 GLU A 49 10.464 5.844 -10.579 1.00 0.00 O ATOM 852 OE2 GLU A 49 11.137 6.892 -8.767 1.00 0.00 O ATOM 0 H GLU A 49 5.781 6.453 -7.713 1.00 0.00 H new ATOM 0 HA GLU A 49 8.322 7.613 -7.841 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.173 5.119 -8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.672 5.583 -9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.492 5.533 -7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.414 4.277 -8.680 1.00 0.00 H new ATOM 859 N THR A 50 6.537 8.157 -10.582 1.00 0.00 N ATOM 860 CA THR A 50 6.413 9.054 -11.744 1.00 0.00 C ATOM 861 C THR A 50 6.475 10.551 -11.375 1.00 0.00 C ATOM 862 O THR A 50 6.807 11.384 -12.222 1.00 0.00 O ATOM 863 CB THR A 50 5.122 8.680 -12.500 1.00 0.00 C ATOM 864 OG1 THR A 50 5.346 7.519 -13.275 1.00 0.00 O ATOM 865 CG2 THR A 50 4.552 9.736 -13.438 1.00 0.00 C ATOM 0 H THR A 50 5.712 7.576 -10.432 1.00 0.00 H new ATOM 0 HA THR A 50 7.276 8.910 -12.395 1.00 0.00 H new ATOM 0 HB THR A 50 4.389 8.545 -11.705 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.524 7.282 -13.753 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.646 9.354 -13.909 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.314 10.636 -12.871 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.287 9.975 -14.206 1.00 0.00 H new ATOM 873 N ILE A 51 6.222 10.899 -10.111 1.00 0.00 N ATOM 874 CA ILE A 51 6.220 12.272 -9.573 1.00 0.00 C ATOM 875 C ILE A 51 7.516 12.633 -8.819 1.00 0.00 C ATOM 876 O ILE A 51 7.792 13.807 -8.559 1.00 0.00 O ATOM 877 CB ILE A 51 4.912 12.466 -8.761 1.00 0.00 C ATOM 878 CG1 ILE A 51 3.672 12.519 -9.688 1.00 0.00 C ATOM 879 CG2 ILE A 51 4.916 13.679 -7.818 1.00 0.00 C ATOM 880 CD1 ILE A 51 3.598 13.712 -10.654 1.00 0.00 C ATOM 0 H ILE A 51 6.002 10.204 -9.398 1.00 0.00 H new ATOM 0 HA ILE A 51 6.222 12.994 -10.390 1.00 0.00 H new ATOM 0 HB ILE A 51 4.855 11.586 -8.121 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.643 11.601 -10.275 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.778 12.527 -9.064 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.962 13.735 -7.293 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.724 13.574 -7.094 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.065 14.590 -8.398 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.688 13.641 -11.250 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.587 14.641 -10.084 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.466 13.701 -11.313 1.00 0.00 H new ATOM 892 N ASN A 52 8.368 11.647 -8.547 1.00 0.00 N ATOM 893 CA ASN A 52 9.739 11.859 -8.068 1.00 0.00 C ATOM 894 C ASN A 52 10.624 12.506 -9.165 1.00 0.00 C ATOM 895 O ASN A 52 10.389 12.314 -10.364 1.00 0.00 O ATOM 896 CB ASN A 52 10.289 10.509 -7.566 1.00 0.00 C ATOM 897 CG ASN A 52 11.568 10.611 -6.748 1.00 0.00 C ATOM 898 OD1 ASN A 52 12.028 11.677 -6.363 1.00 0.00 O ATOM 899 ND2 ASN A 52 12.183 9.492 -6.442 1.00 0.00 N ATOM 0 H ASN A 52 8.125 10.662 -8.654 1.00 0.00 H new ATOM 0 HA ASN A 52 9.747 12.566 -7.238 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.524 10.022 -6.961 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.473 9.864 -8.425 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.038 9.515 -5.887 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.805 8.599 -6.759 1.00 0.00 H new ATOM 906 N GLY A 53 11.650 13.269 -8.764 1.00 0.00 N ATOM 907 CA GLY A 53 12.545 14.021 -9.660 1.00 0.00 C ATOM 908 C GLY A 53 13.622 14.810 -8.915 1.00 0.00 C ATOM 909 O GLY A 53 14.814 14.453 -9.043 1.00 0.00 O ATOM 910 OXT GLY A 53 13.267 15.784 -8.216 1.00 0.00 O ATOM 0 H GLY A 53 11.889 13.385 -7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.025 13.327 -10.350 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.951 14.709 -10.262 1.00 0.00 H new TER 914 GLY A 53 ATOM 915 N MET B 1 -11.613 -6.351 16.850 1.00 0.00 N ATOM 916 CA MET B 1 -10.325 -5.739 17.275 1.00 0.00 C ATOM 917 C MET B 1 -9.199 -6.767 17.161 1.00 0.00 C ATOM 918 O MET B 1 -9.230 -7.787 17.846 1.00 0.00 O ATOM 919 CB MET B 1 -10.432 -5.141 18.698 1.00 0.00 C ATOM 920 CG MET B 1 -9.154 -4.458 19.221 1.00 0.00 C ATOM 921 SD MET B 1 -7.877 -5.563 19.900 1.00 0.00 S ATOM 922 CE MET B 1 -6.663 -4.354 20.496 1.00 0.00 C ATOM 0 H1 MET B 1 -12.166 -5.656 16.309 1.00 0.00 H new ATOM 0 H2 MET B 1 -11.423 -7.181 16.253 1.00 0.00 H new ATOM 0 H3 MET B 1 -12.152 -6.644 17.690 1.00 0.00 H new ATOM 0 HA MET B 1 -10.089 -4.909 16.609 1.00 0.00 H new ATOM 0 HB2 MET B 1 -11.244 -4.414 18.709 1.00 0.00 H new ATOM 0 HB3 MET B 1 -10.708 -5.937 19.389 1.00 0.00 H new ATOM 0 HG2 MET B 1 -8.713 -3.884 18.406 1.00 0.00 H new ATOM 0 HG3 MET B 1 -9.438 -3.745 19.995 1.00 0.00 H new ATOM 0 HE1 MET B 1 -5.817 -4.877 20.941 1.00 0.00 H new ATOM 0 HE2 MET B 1 -6.315 -3.746 19.661 1.00 0.00 H new ATOM 0 HE3 MET B 1 -7.127 -3.711 21.244 1.00 0.00 H new ATOM 934 N ASP B 2 -8.220 -6.508 16.283 1.00 0.00 N ATOM 935 CA ASP B 2 -6.898 -7.173 16.221 1.00 0.00 C ATOM 936 C ASP B 2 -6.000 -6.537 15.138 1.00 0.00 C ATOM 937 O ASP B 2 -4.832 -6.240 15.395 1.00 0.00 O ATOM 938 CB ASP B 2 -7.018 -8.687 15.916 1.00 0.00 C ATOM 939 CG ASP B 2 -6.939 -9.599 17.157 1.00 0.00 C ATOM 940 OD1 ASP B 2 -6.051 -9.387 18.020 1.00 0.00 O ATOM 941 OD2 ASP B 2 -7.703 -10.594 17.229 1.00 0.00 O ATOM 0 H ASP B 2 -8.327 -5.797 15.560 1.00 0.00 H new ATOM 0 HA ASP B 2 -6.451 -7.039 17.206 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -7.965 -8.868 15.408 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -6.225 -8.969 15.223 1.00 0.00 H new ATOM 946 N TYR B 3 -6.542 -6.323 13.928 1.00 0.00 N ATOM 947 CA TYR B 3 -5.795 -5.871 12.740 1.00 0.00 C ATOM 948 C TYR B 3 -6.683 -5.125 11.722 1.00 0.00 C ATOM 949 O TYR B 3 -6.735 -5.446 10.537 1.00 0.00 O ATOM 950 CB TYR B 3 -4.986 -7.045 12.136 1.00 0.00 C ATOM 951 CG TYR B 3 -5.762 -8.097 11.351 1.00 0.00 C ATOM 952 CD1 TYR B 3 -6.688 -8.948 11.989 1.00 0.00 C ATOM 953 CD2 TYR B 3 -5.560 -8.213 9.962 1.00 0.00 C ATOM 954 CE1 TYR B 3 -7.436 -9.876 11.238 1.00 0.00 C ATOM 955 CE2 TYR B 3 -6.300 -9.141 9.207 1.00 0.00 C ATOM 956 CZ TYR B 3 -7.252 -9.968 9.842 1.00 0.00 C ATOM 957 OH TYR B 3 -7.983 -10.850 9.108 1.00 0.00 O ATOM 0 H TYR B 3 -7.535 -6.462 13.743 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.071 -5.119 13.055 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -4.224 -6.627 11.478 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -4.463 -7.548 12.949 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -6.824 -8.888 13.059 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -4.831 -7.584 9.472 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -8.151 -10.518 11.731 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -6.140 -9.221 8.142 1.00 0.00 H new ATOM 0 HH TYR B 3 -8.380 -10.387 8.341 1.00 0.00 H new ATOM 967 N LEU B 4 -7.414 -4.114 12.202 1.00 0.00 N ATOM 968 CA LEU B 4 -8.380 -3.328 11.440 1.00 0.00 C ATOM 969 C LEU B 4 -8.167 -1.827 11.719 1.00 0.00 C ATOM 970 O LEU B 4 -7.871 -1.087 10.783 1.00 0.00 O ATOM 971 CB LEU B 4 -9.770 -3.926 11.761 1.00 0.00 C ATOM 972 CG LEU B 4 -10.911 -2.944 12.028 1.00 0.00 C ATOM 973 CD1 LEU B 4 -11.363 -2.203 10.767 1.00 0.00 C ATOM 974 CD2 LEU B 4 -12.092 -3.714 12.604 1.00 0.00 C ATOM 0 H LEU B 4 -7.343 -3.811 13.173 1.00 0.00 H new ATOM 0 HA LEU B 4 -8.263 -3.386 10.358 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -10.063 -4.565 10.928 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -9.667 -4.569 12.635 1.00 0.00 H new ATOM 0 HG LEU B 4 -10.544 -2.194 12.729 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -12.175 -1.520 11.018 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -10.526 -1.637 10.358 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -11.711 -2.923 10.027 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -12.914 -3.026 12.800 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -12.415 -4.472 11.890 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -11.793 -4.196 13.535 1.00 0.00 H new ATOM 986 N ARG B 5 -8.176 -1.391 12.991 1.00 0.00 N ATOM 987 CA ARG B 5 -7.844 -0.007 13.403 1.00 0.00 C ATOM 988 C ARG B 5 -6.454 0.415 12.928 1.00 0.00 C ATOM 989 O ARG B 5 -6.278 1.512 12.400 1.00 0.00 O ATOM 990 CB ARG B 5 -7.917 0.111 14.940 1.00 0.00 C ATOM 991 CG ARG B 5 -9.335 0.092 15.532 1.00 0.00 C ATOM 992 CD ARG B 5 -10.106 1.385 15.238 1.00 0.00 C ATOM 993 NE ARG B 5 -11.330 1.473 16.060 1.00 0.00 N ATOM 994 CZ ARG B 5 -11.918 2.573 16.497 1.00 0.00 C ATOM 995 NH1 ARG B 5 -11.500 3.765 16.173 1.00 0.00 N ATOM 996 NH2 ARG B 5 -12.954 2.498 17.284 1.00 0.00 N ATOM 0 H ARG B 5 -8.417 -1.996 13.776 1.00 0.00 H new ATOM 0 HA ARG B 5 -8.573 0.657 12.938 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -7.347 -0.708 15.379 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -7.428 1.037 15.241 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -9.885 -0.757 15.125 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -9.274 -0.055 16.610 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -9.468 2.246 15.437 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -10.370 1.422 14.181 1.00 0.00 H new ATOM 0 HE ARG B 5 -11.769 0.589 16.318 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -10.691 3.873 15.561 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -11.982 4.589 16.532 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -13.315 1.587 17.566 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -13.404 3.351 17.618 1.00 0.00 H new ATOM 1010 N GLU B 6 -5.486 -0.489 13.077 1.00 0.00 N ATOM 1011 CA GLU B 6 -4.088 -0.294 12.676 1.00 0.00 C ATOM 1012 C GLU B 6 -3.949 -0.020 11.166 1.00 0.00 C ATOM 1013 O GLU B 6 -3.179 0.849 10.755 1.00 0.00 O ATOM 1014 CB GLU B 6 -3.288 -1.545 13.094 1.00 0.00 C ATOM 1015 CG GLU B 6 -1.777 -1.297 13.202 1.00 0.00 C ATOM 1016 CD GLU B 6 -1.416 -0.462 14.448 1.00 0.00 C ATOM 1017 OE1 GLU B 6 -1.195 -1.051 15.534 1.00 0.00 O ATOM 1018 OE2 GLU B 6 -1.346 0.787 14.353 1.00 0.00 O ATOM 0 H GLU B 6 -5.655 -1.405 13.492 1.00 0.00 H new ATOM 0 HA GLU B 6 -3.692 0.589 13.178 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -3.660 -1.900 14.055 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -3.467 -2.340 12.370 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -1.255 -2.253 13.242 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -1.429 -0.781 12.307 1.00 0.00 H new ATOM 1025 N LEU B 7 -4.745 -0.724 10.348 1.00 0.00 N ATOM 1026 CA LEU B 7 -4.792 -0.554 8.892 1.00 0.00 C ATOM 1027 C LEU B 7 -5.391 0.813 8.531 1.00 0.00 C ATOM 1028 O LEU B 7 -4.738 1.634 7.888 1.00 0.00 O ATOM 1029 CB LEU B 7 -5.624 -1.685 8.236 1.00 0.00 C ATOM 1030 CG LEU B 7 -5.292 -3.129 8.645 1.00 0.00 C ATOM 1031 CD1 LEU B 7 -6.025 -4.101 7.721 1.00 0.00 C ATOM 1032 CD2 LEU B 7 -3.808 -3.465 8.589 1.00 0.00 C ATOM 0 H LEU B 7 -5.386 -1.441 10.689 1.00 0.00 H new ATOM 0 HA LEU B 7 -3.772 -0.605 8.511 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.675 -1.504 8.459 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -5.509 -1.605 7.155 1.00 0.00 H new ATOM 0 HG LEU B 7 -5.611 -3.224 9.683 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -5.790 -5.125 8.010 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -7.100 -3.939 7.801 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -5.709 -3.933 6.692 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -3.658 -4.501 8.892 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -3.442 -3.328 7.571 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -3.260 -2.807 9.263 1.00 0.00 H new ATOM 1044 N TYR B 8 -6.616 1.056 9.007 1.00 0.00 N ATOM 1045 CA TYR B 8 -7.461 2.234 8.765 1.00 0.00 C ATOM 1046 C TYR B 8 -6.760 3.543 9.124 1.00 0.00 C ATOM 1047 O TYR B 8 -6.861 4.509 8.374 1.00 0.00 O ATOM 1048 CB TYR B 8 -8.712 2.066 9.659 1.00 0.00 C ATOM 1049 CG TYR B 8 -10.080 2.454 9.127 1.00 0.00 C ATOM 1050 CD1 TYR B 8 -10.274 3.616 8.357 1.00 0.00 C ATOM 1051 CD2 TYR B 8 -11.193 1.676 9.512 1.00 0.00 C ATOM 1052 CE1 TYR B 8 -11.576 4.001 7.979 1.00 0.00 C ATOM 1053 CE2 TYR B 8 -12.493 2.055 9.133 1.00 0.00 C ATOM 1054 CZ TYR B 8 -12.689 3.223 8.367 1.00 0.00 C ATOM 1055 OH TYR B 8 -13.950 3.604 8.037 1.00 0.00 O ATOM 0 H TYR B 8 -7.080 0.384 9.618 1.00 0.00 H new ATOM 0 HA TYR B 8 -7.705 2.292 7.704 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -8.763 1.017 9.952 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -8.541 2.643 10.568 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -9.425 4.212 8.056 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -11.045 0.783 10.102 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -11.723 4.894 7.390 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -13.340 1.453 9.428 1.00 0.00 H new ATOM 0 HH TYR B 8 -13.931 4.103 7.193 1.00 0.00 H new ATOM 1065 N LYS B 9 -6.036 3.594 10.248 1.00 0.00 N ATOM 1066 CA LYS B 9 -5.357 4.819 10.691 1.00 0.00 C ATOM 1067 C LYS B 9 -4.225 5.248 9.766 1.00 0.00 C ATOM 1068 O LYS B 9 -4.163 6.417 9.400 1.00 0.00 O ATOM 1069 CB LYS B 9 -4.925 4.671 12.163 1.00 0.00 C ATOM 1070 CG LYS B 9 -4.313 5.945 12.779 1.00 0.00 C ATOM 1071 CD LYS B 9 -2.775 5.989 12.699 1.00 0.00 C ATOM 1072 CE LYS B 9 -2.190 7.316 13.212 1.00 0.00 C ATOM 1073 NZ LYS B 9 -2.402 7.515 14.671 1.00 0.00 N ATOM 0 H LYS B 9 -5.904 2.797 10.871 1.00 0.00 H new ATOM 0 HA LYS B 9 -6.069 5.642 10.632 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -5.791 4.376 12.755 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -4.198 3.862 12.236 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -4.720 6.818 12.269 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -4.617 6.016 13.823 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -2.362 5.166 13.281 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -2.465 5.836 11.665 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -1.122 7.343 12.998 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -2.646 8.143 12.667 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -1.988 8.424 14.961 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -3.421 7.518 14.876 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -1.945 6.743 15.197 1.00 0.00 H new ATOM 1087 N LEU B 10 -3.361 4.331 9.341 1.00 0.00 N ATOM 1088 CA LEU B 10 -2.318 4.616 8.359 1.00 0.00 C ATOM 1089 C LEU B 10 -2.891 4.865 6.953 1.00 0.00 C ATOM 1090 O LEU B 10 -2.441 5.771 6.252 1.00 0.00 O ATOM 1091 CB LEU B 10 -1.235 3.524 8.411 1.00 0.00 C ATOM 1092 CG LEU B 10 -0.252 3.787 9.573 1.00 0.00 C ATOM 1093 CD1 LEU B 10 0.527 2.529 9.933 1.00 0.00 C ATOM 1094 CD2 LEU B 10 0.761 4.879 9.219 1.00 0.00 C ATOM 0 H LEU B 10 -3.364 3.365 9.669 1.00 0.00 H new ATOM 0 HA LEU B 10 -1.834 5.556 8.622 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -1.702 2.547 8.537 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.691 3.498 7.467 1.00 0.00 H new ATOM 0 HG LEU B 10 -0.860 4.108 10.419 1.00 0.00 H new ATOM 0 HD11 LEU B 10 1.210 2.747 10.754 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -0.167 1.746 10.237 1.00 0.00 H new ATOM 0 HD13 LEU B 10 1.096 2.193 9.066 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.436 5.036 10.061 1.00 0.00 H new ATOM 0 HD22 LEU B 10 1.336 4.572 8.345 1.00 0.00 H new ATOM 0 HD23 LEU B 10 0.233 5.807 8.999 1.00 0.00 H new ATOM 1106 N GLU B 11 -3.966 4.158 6.592 1.00 0.00 N ATOM 1107 CA GLU B 11 -4.839 4.479 5.452 1.00 0.00 C ATOM 1108 C GLU B 11 -5.379 5.923 5.509 1.00 0.00 C ATOM 1109 O GLU B 11 -5.365 6.618 4.489 1.00 0.00 O ATOM 1110 CB GLU B 11 -5.961 3.410 5.392 1.00 0.00 C ATOM 1111 CG GLU B 11 -5.645 2.245 4.439 1.00 0.00 C ATOM 1112 CD GLU B 11 -5.779 2.589 2.950 1.00 0.00 C ATOM 1113 OE1 GLU B 11 -5.062 3.376 2.315 1.00 0.00 O ATOM 1114 OE2 GLU B 11 -6.530 2.035 2.123 1.00 0.00 O ATOM 0 H GLU B 11 -4.264 3.323 7.097 1.00 0.00 H new ATOM 0 HA GLU B 11 -4.264 4.445 4.527 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -6.130 3.015 6.394 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -6.889 3.886 5.077 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -4.628 1.901 4.630 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -6.311 1.413 4.668 1.00 0.00 H new ATOM 1121 N GLN B 12 -5.771 6.435 6.684 1.00 0.00 N ATOM 1122 CA GLN B 12 -6.265 7.800 6.842 1.00 0.00 C ATOM 1123 C GLN B 12 -5.183 8.863 7.077 1.00 0.00 C ATOM 1124 O GLN B 12 -5.428 10.037 6.817 1.00 0.00 O ATOM 1125 CB GLN B 12 -7.329 7.830 7.939 1.00 0.00 C ATOM 1126 CG GLN B 12 -8.628 7.186 7.433 1.00 0.00 C ATOM 1127 CD GLN B 12 -9.750 7.229 8.471 1.00 0.00 C ATOM 1128 OE1 GLN B 12 -9.572 6.946 9.648 1.00 0.00 O ATOM 1129 NE2 GLN B 12 -10.954 7.598 8.080 1.00 0.00 N ATOM 0 H GLN B 12 -5.752 5.905 7.555 1.00 0.00 H new ATOM 0 HA GLN B 12 -6.701 8.080 5.883 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -6.969 7.298 8.820 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -7.519 8.859 8.244 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -8.955 7.699 6.529 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -8.432 6.150 7.158 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -11.122 7.838 7.103 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -11.718 7.644 8.755 1.00 0.00 H new ATOM 1138 N GLN B 13 -3.972 8.489 7.483 1.00 0.00 N ATOM 1139 CA GLN B 13 -2.822 9.405 7.537 1.00 0.00 C ATOM 1140 C GLN B 13 -2.350 9.813 6.143 1.00 0.00 C ATOM 1141 O GLN B 13 -2.017 10.981 5.940 1.00 0.00 O ATOM 1142 CB GLN B 13 -1.651 8.773 8.310 1.00 0.00 C ATOM 1143 CG GLN B 13 -1.806 8.843 9.836 1.00 0.00 C ATOM 1144 CD GLN B 13 -1.468 10.228 10.396 1.00 0.00 C ATOM 1145 OE1 GLN B 13 -2.160 11.212 10.178 1.00 0.00 O ATOM 1146 NE2 GLN B 13 -0.391 10.363 11.145 1.00 0.00 N ATOM 0 H GLN B 13 -3.754 7.540 7.786 1.00 0.00 H new ATOM 0 HA GLN B 13 -3.159 10.300 8.060 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -1.552 7.729 8.012 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -0.726 9.275 8.025 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -2.830 8.585 10.106 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -1.157 8.099 10.299 1.00 0.00 H new ATOM 0 HE21 GLN B 13 0.200 9.555 11.339 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -0.149 11.276 11.530 1.00 0.00 H new ATOM 1155 N ALA B 14 -2.398 8.903 5.164 1.00 0.00 N ATOM 1156 CA ALA B 14 -2.229 9.284 3.767 1.00 0.00 C ATOM 1157 C ALA B 14 -3.389 10.195 3.342 1.00 0.00 C ATOM 1158 O ALA B 14 -3.153 11.242 2.755 1.00 0.00 O ATOM 1159 CB ALA B 14 -2.137 8.008 2.921 1.00 0.00 C ATOM 0 H ALA B 14 -2.552 7.906 5.316 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.309 9.850 3.620 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -2.010 8.275 1.872 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -1.284 7.414 3.250 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -3.051 7.426 3.039 1.00 0.00 H new ATOM 1165 N MET B 15 -4.632 9.866 3.702 1.00 0.00 N ATOM 1166 CA MET B 15 -5.815 10.664 3.330 1.00 0.00 C ATOM 1167 C MET B 15 -5.788 12.095 3.888 1.00 0.00 C ATOM 1168 O MET B 15 -6.117 13.034 3.169 1.00 0.00 O ATOM 1169 CB MET B 15 -7.085 9.944 3.805 1.00 0.00 C ATOM 1170 CG MET B 15 -8.378 10.593 3.293 1.00 0.00 C ATOM 1171 SD MET B 15 -9.567 9.388 2.657 1.00 0.00 S ATOM 1172 CE MET B 15 -8.684 9.014 1.123 1.00 0.00 C ATOM 0 H MET B 15 -4.852 9.041 4.259 1.00 0.00 H new ATOM 0 HA MET B 15 -5.806 10.756 2.244 1.00 0.00 H new ATOM 0 HB2 MET B 15 -7.052 8.906 3.473 1.00 0.00 H new ATOM 0 HB3 MET B 15 -7.100 9.930 4.895 1.00 0.00 H new ATOM 0 HG2 MET B 15 -8.840 11.159 4.102 1.00 0.00 H new ATOM 0 HG3 MET B 15 -8.134 11.305 2.505 1.00 0.00 H new ATOM 0 HE1 MET B 15 -9.255 9.389 0.274 1.00 0.00 H new ATOM 0 HE2 MET B 15 -7.704 9.492 1.141 1.00 0.00 H new ATOM 0 HE3 MET B 15 -8.560 7.935 1.028 1.00 0.00 H new ATOM 1182 N LYS B 16 -5.353 12.284 5.138 1.00 0.00 N ATOM 1183 CA LYS B 16 -5.125 13.603 5.749 1.00 0.00 C ATOM 1184 C LYS B 16 -4.063 14.394 4.993 1.00 0.00 C ATOM 1185 O LYS B 16 -4.275 15.567 4.684 1.00 0.00 O ATOM 1186 CB LYS B 16 -4.680 13.400 7.207 1.00 0.00 C ATOM 1187 CG LYS B 16 -5.844 13.073 8.161 1.00 0.00 C ATOM 1188 CD LYS B 16 -6.303 14.278 8.999 1.00 0.00 C ATOM 1189 CE LYS B 16 -6.781 15.465 8.149 1.00 0.00 C ATOM 1190 NZ LYS B 16 -7.156 16.624 9.004 1.00 0.00 N ATOM 0 H LYS B 16 -5.144 11.510 5.769 1.00 0.00 H new ATOM 0 HA LYS B 16 -6.053 14.173 5.708 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -3.949 12.592 7.247 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -4.177 14.302 7.555 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -6.688 12.702 7.579 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -5.540 12.269 8.831 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -7.111 13.965 9.660 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -5.480 14.604 9.635 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -5.993 15.761 7.457 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -7.637 15.162 7.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -7.475 17.410 8.403 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -7.925 16.347 9.647 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -6.331 16.926 9.560 1.00 0.00 H new ATOM 1204 N LEU B 17 -2.960 13.727 4.645 1.00 0.00 N ATOM 1205 CA LEU B 17 -1.923 14.277 3.771 1.00 0.00 C ATOM 1206 C LEU B 17 -2.508 14.732 2.428 1.00 0.00 C ATOM 1207 O LEU B 17 -2.351 15.886 2.047 1.00 0.00 O ATOM 1208 CB LEU B 17 -0.818 13.213 3.589 1.00 0.00 C ATOM 1209 CG LEU B 17 0.459 13.525 4.375 1.00 0.00 C ATOM 1210 CD1 LEU B 17 1.388 12.318 4.282 1.00 0.00 C ATOM 1211 CD2 LEU B 17 1.196 14.754 3.842 1.00 0.00 C ATOM 0 H LEU B 17 -2.760 12.780 4.966 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.489 15.166 4.229 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.202 12.243 3.904 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.574 13.131 2.530 1.00 0.00 H new ATOM 0 HG LEU B 17 0.172 13.738 5.405 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.304 12.521 4.836 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.893 11.444 4.706 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.631 12.126 3.237 1.00 0.00 H new ATOM 0 HD21 LEU B 17 2.093 14.927 4.437 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.477 14.587 2.802 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.544 15.625 3.906 1.00 0.00 H new ATOM 1223 N TYR B 18 -3.251 13.852 1.761 1.00 0.00 N ATOM 1224 CA TYR B 18 -3.945 14.077 0.495 1.00 0.00 C ATOM 1225 C TYR B 18 -4.975 15.225 0.550 1.00 0.00 C ATOM 1226 O TYR B 18 -5.043 16.017 -0.394 1.00 0.00 O ATOM 1227 CB TYR B 18 -4.540 12.718 0.050 1.00 0.00 C ATOM 1228 CG TYR B 18 -3.555 11.815 -0.688 1.00 0.00 C ATOM 1229 CD1 TYR B 18 -2.989 12.269 -1.891 1.00 0.00 C ATOM 1230 CD2 TYR B 18 -3.157 10.562 -0.168 1.00 0.00 C ATOM 1231 CE1 TYR B 18 -1.974 11.528 -2.521 1.00 0.00 C ATOM 1232 CE2 TYR B 18 -2.083 9.847 -0.743 1.00 0.00 C ATOM 1233 CZ TYR B 18 -1.496 10.339 -1.929 1.00 0.00 C ATOM 1234 OH TYR B 18 -0.473 9.669 -2.514 1.00 0.00 O ATOM 0 H TYR B 18 -3.393 12.905 2.111 1.00 0.00 H new ATOM 0 HA TYR B 18 -3.239 14.429 -0.257 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -4.910 12.191 0.929 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -5.399 12.904 -0.595 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -3.335 13.191 -2.334 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -3.681 10.146 0.680 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.560 11.869 -3.458 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.718 8.940 -0.284 1.00 0.00 H new ATOM 0 HH TYR B 18 0.264 9.574 -1.875 1.00 0.00 H new ATOM 1244 N ARG B 19 -5.725 15.392 1.653 1.00 0.00 N ATOM 1245 CA ARG B 19 -6.697 16.493 1.820 1.00 0.00 C ATOM 1246 C ARG B 19 -6.028 17.869 1.934 1.00 0.00 C ATOM 1247 O ARG B 19 -6.523 18.843 1.372 1.00 0.00 O ATOM 1248 CB ARG B 19 -7.607 16.222 3.037 1.00 0.00 C ATOM 1249 CG ARG B 19 -9.004 16.833 2.833 1.00 0.00 C ATOM 1250 CD ARG B 19 -9.911 16.680 4.064 1.00 0.00 C ATOM 1251 NE ARG B 19 -9.677 17.743 5.064 1.00 0.00 N ATOM 1252 CZ ARG B 19 -10.390 17.963 6.155 1.00 0.00 C ATOM 1253 NH1 ARG B 19 -11.347 17.164 6.535 1.00 0.00 N ATOM 1254 NH2 ARG B 19 -10.152 19.005 6.901 1.00 0.00 N ATOM 0 H ARG B 19 -5.676 14.767 2.458 1.00 0.00 H new ATOM 0 HA ARG B 19 -7.305 16.521 0.916 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -7.697 15.147 3.195 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -7.152 16.640 3.935 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -8.900 17.891 2.594 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -9.481 16.358 1.976 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -10.954 16.702 3.750 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -9.737 15.707 4.523 1.00 0.00 H new ATOM 0 HE ARG B 19 -8.888 18.368 4.896 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -11.568 16.335 5.984 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -11.875 17.368 7.384 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -9.411 19.657 6.644 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -10.707 19.168 7.741 1.00 0.00 H new ATOM 1268 N GLU B 20 -4.895 17.954 2.633 1.00 0.00 N ATOM 1269 CA GLU B 20 -4.159 19.215 2.846 1.00 0.00 C ATOM 1270 C GLU B 20 -3.236 19.566 1.682 1.00 0.00 C ATOM 1271 O GLU B 20 -3.166 20.720 1.256 1.00 0.00 O ATOM 1272 CB GLU B 20 -3.325 19.094 4.128 1.00 0.00 C ATOM 1273 CG GLU B 20 -3.157 20.445 4.832 1.00 0.00 C ATOM 1274 CD GLU B 20 -2.425 20.286 6.179 1.00 0.00 C ATOM 1275 OE1 GLU B 20 -3.098 20.080 7.219 1.00 0.00 O ATOM 1276 OE2 GLU B 20 -1.173 20.381 6.214 1.00 0.00 O ATOM 0 H GLU B 20 -4.454 17.147 3.073 1.00 0.00 H new ATOM 0 HA GLU B 20 -4.896 20.014 2.927 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -3.804 18.388 4.807 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -2.343 18.687 3.885 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -2.598 21.125 4.190 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -4.136 20.895 4.998 1.00 0.00 H new ATOM 1283 N ALA B 21 -2.590 18.545 1.121 1.00 0.00 N ATOM 1284 CA ALA B 21 -1.838 18.653 -0.125 1.00 0.00 C ATOM 1285 C ALA B 21 -2.697 19.256 -1.246 1.00 0.00 C ATOM 1286 O ALA B 21 -2.209 20.115 -1.970 1.00 0.00 O ATOM 1287 CB ALA B 21 -1.264 17.286 -0.515 1.00 0.00 C ATOM 0 H ALA B 21 -2.575 17.609 1.525 1.00 0.00 H new ATOM 0 HA ALA B 21 -1.003 19.336 0.031 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.705 17.378 -1.446 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.600 16.932 0.273 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -2.079 16.574 -0.650 1.00 0.00 H new ATOM 1293 N SER B 22 -3.984 18.895 -1.342 1.00 0.00 N ATOM 1294 CA SER B 22 -4.933 19.497 -2.297 1.00 0.00 C ATOM 1295 C SER B 22 -5.097 21.026 -2.154 1.00 0.00 C ATOM 1296 O SER B 22 -5.223 21.722 -3.163 1.00 0.00 O ATOM 1297 CB SER B 22 -6.295 18.804 -2.170 1.00 0.00 C ATOM 1298 OG SER B 22 -7.155 19.171 -3.237 1.00 0.00 O ATOM 0 H SER B 22 -4.402 18.172 -0.756 1.00 0.00 H new ATOM 0 HA SER B 22 -4.510 19.340 -3.289 1.00 0.00 H new ATOM 0 HB2 SER B 22 -6.157 17.723 -2.165 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.756 19.071 -1.219 1.00 0.00 H new ATOM 0 HG SER B 22 -8.016 18.715 -3.134 1.00 0.00 H new ATOM 1304 N GLU B 23 -5.048 21.585 -0.934 1.00 0.00 N ATOM 1305 CA GLU B 23 -5.125 23.045 -0.719 1.00 0.00 C ATOM 1306 C GLU B 23 -3.856 23.764 -1.219 1.00 0.00 C ATOM 1307 O GLU B 23 -3.941 24.767 -1.933 1.00 0.00 O ATOM 1308 CB GLU B 23 -5.299 23.310 0.784 1.00 0.00 C ATOM 1309 CG GLU B 23 -5.723 24.744 1.138 1.00 0.00 C ATOM 1310 CD GLU B 23 -7.180 25.038 0.730 1.00 0.00 C ATOM 1311 OE1 GLU B 23 -8.110 24.724 1.513 1.00 0.00 O ATOM 1312 OE2 GLU B 23 -7.409 25.597 -0.371 1.00 0.00 O ATOM 0 H GLU B 23 -4.955 21.046 -0.073 1.00 0.00 H new ATOM 0 HA GLU B 23 -5.972 23.433 -1.285 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -6.044 22.618 1.177 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -4.359 23.088 1.289 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -5.609 24.900 2.211 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -5.059 25.451 0.641 1.00 0.00 H new ATOM 1319 N LYS B 24 -2.668 23.241 -0.875 1.00 0.00 N ATOM 1320 CA LYS B 24 -1.376 23.787 -1.346 1.00 0.00 C ATOM 1321 C LYS B 24 -1.182 23.591 -2.856 1.00 0.00 C ATOM 1322 O LYS B 24 -0.723 24.495 -3.551 1.00 0.00 O ATOM 1323 CB LYS B 24 -0.206 23.167 -0.564 1.00 0.00 C ATOM 1324 CG LYS B 24 1.078 23.995 -0.760 1.00 0.00 C ATOM 1325 CD LYS B 24 2.298 23.349 -0.096 1.00 0.00 C ATOM 1326 CE LYS B 24 3.530 24.241 -0.299 1.00 0.00 C ATOM 1327 NZ LYS B 24 4.766 23.613 0.239 1.00 0.00 N ATOM 0 H LYS B 24 -2.572 22.430 -0.264 1.00 0.00 H new ATOM 0 HA LYS B 24 -1.393 24.861 -1.159 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -0.455 23.119 0.496 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -0.040 22.143 -0.899 1.00 0.00 H new ATOM 0 HG2 LYS B 24 1.270 24.116 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS B 24 0.930 24.993 -0.348 1.00 0.00 H new ATOM 0 HD2 LYS B 24 2.112 23.206 0.968 1.00 0.00 H new ATOM 0 HD3 LYS B 24 2.477 22.362 -0.523 1.00 0.00 H new ATOM 0 HE2 LYS B 24 3.660 24.444 -1.362 1.00 0.00 H new ATOM 0 HE3 LYS B 24 3.368 25.201 0.191 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 5.575 24.248 0.082 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 4.653 23.442 1.259 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 4.936 22.709 -0.247 1.00 0.00 H new ATOM 1341 N ALA B 25 -1.584 22.434 -3.377 1.00 0.00 N ATOM 1342 CA ALA B 25 -1.535 22.051 -4.786 1.00 0.00 C ATOM 1343 C ALA B 25 -2.805 22.473 -5.555 1.00 0.00 C ATOM 1344 O ALA B 25 -3.350 21.706 -6.352 1.00 0.00 O ATOM 1345 CB ALA B 25 -1.287 20.542 -4.878 1.00 0.00 C ATOM 0 H ALA B 25 -1.976 21.695 -2.793 1.00 0.00 H new ATOM 0 HA ALA B 25 -0.714 22.583 -5.266 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -1.248 20.243 -5.925 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -0.340 20.299 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -2.096 20.009 -4.378 1.00 0.00 H new ATOM 1351 N ARG B 26 -3.292 23.698 -5.312 1.00 0.00 N ATOM 1352 CA ARG B 26 -4.463 24.277 -5.997 1.00 0.00 C ATOM 1353 C ARG B 26 -4.329 24.347 -7.536 1.00 0.00 C ATOM 1354 O ARG B 26 -5.334 24.456 -8.236 1.00 0.00 O ATOM 1355 CB ARG B 26 -4.834 25.627 -5.342 1.00 0.00 C ATOM 1356 CG ARG B 26 -3.830 26.776 -5.589 1.00 0.00 C ATOM 1357 CD ARG B 26 -2.867 27.000 -4.413 1.00 0.00 C ATOM 1358 NE ARG B 26 -1.664 27.755 -4.822 1.00 0.00 N ATOM 1359 CZ ARG B 26 -0.624 28.058 -4.063 1.00 0.00 C ATOM 1360 NH1 ARG B 26 -0.585 27.769 -2.793 1.00 0.00 N ATOM 1361 NH2 ARG B 26 0.407 28.673 -4.569 1.00 0.00 N ATOM 0 H ARG B 26 -2.879 24.327 -4.623 1.00 0.00 H new ATOM 0 HA ARG B 26 -5.298 23.591 -5.857 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.812 25.935 -5.711 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -4.932 25.476 -4.267 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -3.252 26.558 -6.487 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -4.381 27.697 -5.780 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -3.383 27.541 -3.619 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -2.568 26.037 -4.000 1.00 0.00 H new ATOM 0 HE ARG B 26 -1.633 28.076 -5.790 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -1.373 27.294 -2.354 1.00 0.00 H new ATOM 0 HH12 ARG B 26 0.234 28.018 -2.238 1.00 0.00 H new ATOM 0 HH21 ARG B 26 0.416 28.925 -5.557 1.00 0.00 H new ATOM 0 HH22 ARG B 26 1.205 28.903 -3.977 1.00 0.00 H new ATOM 1375 N ASN B 27 -3.101 24.254 -8.060 1.00 0.00 N ATOM 1376 CA ASN B 27 -2.768 24.113 -9.484 1.00 0.00 C ATOM 1377 C ASN B 27 -3.332 22.789 -10.077 1.00 0.00 C ATOM 1378 O ASN B 27 -3.099 21.720 -9.501 1.00 0.00 O ATOM 1379 CB ASN B 27 -1.230 24.182 -9.589 1.00 0.00 C ATOM 1380 CG ASN B 27 -0.731 24.258 -11.023 1.00 0.00 C ATOM 1381 OD1 ASN B 27 -1.021 25.191 -11.756 1.00 0.00 O ATOM 1382 ND2 ASN B 27 0.034 23.291 -11.473 1.00 0.00 N ATOM 0 H ASN B 27 -2.268 24.276 -7.471 1.00 0.00 H new ATOM 0 HA ASN B 27 -3.226 24.911 -10.069 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -0.873 25.054 -9.040 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -0.800 23.304 -9.107 1.00 0.00 H new ATOM 0 HD21 ASN B 27 0.383 23.321 -12.431 1.00 0.00 H new ATOM 0 HD22 ASN B 27 0.279 22.510 -10.865 1.00 0.00 H new ATOM 1389 N PRO B 28 -4.038 22.808 -11.229 1.00 0.00 N ATOM 1390 CA PRO B 28 -4.819 21.659 -11.703 1.00 0.00 C ATOM 1391 C PRO B 28 -3.978 20.441 -12.118 1.00 0.00 C ATOM 1392 O PRO B 28 -4.457 19.312 -12.039 1.00 0.00 O ATOM 1393 CB PRO B 28 -5.677 22.186 -12.859 1.00 0.00 C ATOM 1394 CG PRO B 28 -4.894 23.391 -13.373 1.00 0.00 C ATOM 1395 CD PRO B 28 -4.254 23.950 -12.106 1.00 0.00 C ATOM 0 HA PRO B 28 -5.425 21.269 -10.885 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.808 21.433 -13.636 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.673 22.471 -12.520 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -4.145 23.101 -14.110 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -5.546 24.122 -13.852 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -3.313 24.452 -12.333 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -4.903 24.688 -11.634 1.00 0.00 H new ATOM 1403 N GLU B 29 -2.715 20.644 -12.510 1.00 0.00 N ATOM 1404 CA GLU B 29 -1.783 19.573 -12.908 1.00 0.00 C ATOM 1405 C GLU B 29 -1.640 18.483 -11.839 1.00 0.00 C ATOM 1406 O GLU B 29 -1.779 17.291 -12.116 1.00 0.00 O ATOM 1407 CB GLU B 29 -0.425 20.214 -13.239 1.00 0.00 C ATOM 1408 CG GLU B 29 0.546 19.308 -14.020 1.00 0.00 C ATOM 1409 CD GLU B 29 1.514 18.458 -13.163 1.00 0.00 C ATOM 1410 OE1 GLU B 29 1.537 18.571 -11.914 1.00 0.00 O ATOM 1411 OE2 GLU B 29 2.299 17.678 -13.759 1.00 0.00 O ATOM 0 H GLU B 29 -2.300 21.574 -12.562 1.00 0.00 H new ATOM 0 HA GLU B 29 -2.185 19.068 -13.786 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -0.599 21.121 -13.819 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.054 20.518 -12.308 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.040 18.635 -14.647 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.137 19.933 -14.689 1.00 0.00 H new ATOM 1418 N LYS B 30 -1.444 18.926 -10.596 1.00 0.00 N ATOM 1419 CA LYS B 30 -1.399 18.086 -9.391 1.00 0.00 C ATOM 1420 C LYS B 30 -2.795 17.730 -8.889 1.00 0.00 C ATOM 1421 O LYS B 30 -3.020 16.577 -8.523 1.00 0.00 O ATOM 1422 CB LYS B 30 -0.578 18.802 -8.305 1.00 0.00 C ATOM 1423 CG LYS B 30 -0.130 17.889 -7.140 1.00 0.00 C ATOM 1424 CD LYS B 30 1.052 16.969 -7.489 1.00 0.00 C ATOM 1425 CE LYS B 30 2.344 17.791 -7.622 1.00 0.00 C ATOM 1426 NZ LYS B 30 3.524 16.935 -7.905 1.00 0.00 N ATOM 0 H LYS B 30 -1.307 19.916 -10.390 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.915 17.142 -9.644 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.306 19.243 -8.766 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -1.170 19.623 -7.901 1.00 0.00 H new ATOM 0 HG2 LYS B 30 0.146 18.511 -6.289 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -0.975 17.276 -6.826 1.00 0.00 H new ATOM 0 HD2 LYS B 30 1.173 16.211 -6.715 1.00 0.00 H new ATOM 0 HD3 LYS B 30 0.850 16.443 -8.422 1.00 0.00 H new ATOM 0 HE2 LYS B 30 2.227 18.522 -8.422 1.00 0.00 H new ATOM 0 HE3 LYS B 30 2.514 18.350 -6.702 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 4.373 17.530 -7.987 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 3.652 16.253 -7.130 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 3.374 16.421 -8.797 1.00 0.00 H new ATOM 1440 N LYS B 31 -3.750 18.670 -8.931 1.00 0.00 N ATOM 1441 CA LYS B 31 -5.147 18.442 -8.504 1.00 0.00 C ATOM 1442 C LYS B 31 -5.889 17.350 -9.294 1.00 0.00 C ATOM 1443 O LYS B 31 -6.857 16.797 -8.786 1.00 0.00 O ATOM 1444 CB LYS B 31 -5.916 19.774 -8.442 1.00 0.00 C ATOM 1445 CG LYS B 31 -7.106 19.696 -7.471 1.00 0.00 C ATOM 1446 CD LYS B 31 -7.696 21.081 -7.177 1.00 0.00 C ATOM 1447 CE LYS B 31 -8.887 20.930 -6.224 1.00 0.00 C ATOM 1448 NZ LYS B 31 -9.474 22.246 -5.859 1.00 0.00 N ATOM 0 H LYS B 31 -3.578 19.619 -9.264 1.00 0.00 H new ATOM 0 HA LYS B 31 -5.098 18.032 -7.495 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -5.241 20.570 -8.128 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -6.275 20.034 -9.438 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.879 19.055 -7.895 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -6.784 19.233 -6.538 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -6.938 21.725 -6.731 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -8.015 21.558 -8.104 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -9.651 20.309 -6.693 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -8.566 20.412 -5.320 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -10.277 22.101 -5.214 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -8.753 22.830 -5.389 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -9.804 22.729 -6.719 1.00 0.00 H new ATOM 1462 N SER B 32 -5.386 16.955 -10.465 1.00 0.00 N ATOM 1463 CA SER B 32 -5.875 15.809 -11.263 1.00 0.00 C ATOM 1464 C SER B 32 -4.943 14.581 -11.238 1.00 0.00 C ATOM 1465 O SER B 32 -5.169 13.617 -11.971 1.00 0.00 O ATOM 1466 CB SER B 32 -6.153 16.256 -12.707 1.00 0.00 C ATOM 1467 OG SER B 32 -7.166 17.252 -12.749 1.00 0.00 O ATOM 0 H SER B 32 -4.601 17.434 -10.906 1.00 0.00 H new ATOM 0 HA SER B 32 -6.801 15.479 -10.792 1.00 0.00 H new ATOM 0 HB2 SER B 32 -5.238 16.645 -13.153 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.459 15.397 -13.304 1.00 0.00 H new ATOM 0 HG SER B 32 -7.323 17.520 -13.678 1.00 0.00 H new ATOM 1473 N VAL B 33 -3.932 14.576 -10.362 1.00 0.00 N ATOM 1474 CA VAL B 33 -2.985 13.461 -10.140 1.00 0.00 C ATOM 1475 C VAL B 33 -3.076 12.922 -8.710 1.00 0.00 C ATOM 1476 O VAL B 33 -3.033 11.706 -8.527 1.00 0.00 O ATOM 1477 CB VAL B 33 -1.546 13.884 -10.506 1.00 0.00 C ATOM 1478 CG1 VAL B 33 -0.472 12.894 -10.035 1.00 0.00 C ATOM 1479 CG2 VAL B 33 -1.408 14.006 -12.030 1.00 0.00 C ATOM 0 H VAL B 33 -3.738 15.377 -9.761 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.267 12.643 -10.803 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.385 14.835 -9.998 1.00 0.00 H new ATOM 0 HG11 VAL B 33 0.513 13.258 -10.328 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.515 12.799 -8.950 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -0.649 11.920 -10.492 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -0.390 14.305 -12.280 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -1.628 13.044 -12.493 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -2.108 14.756 -12.400 1.00 0.00 H new ATOM 1489 N LEU B 34 -3.304 13.770 -7.697 1.00 0.00 N ATOM 1490 CA LEU B 34 -3.622 13.297 -6.351 1.00 0.00 C ATOM 1491 C LEU B 34 -5.123 12.965 -6.169 1.00 0.00 C ATOM 1492 O LEU B 34 -5.471 12.177 -5.290 1.00 0.00 O ATOM 1493 CB LEU B 34 -2.978 14.257 -5.325 1.00 0.00 C ATOM 1494 CG LEU B 34 -3.916 15.293 -4.709 1.00 0.00 C ATOM 1495 CD1 LEU B 34 -3.250 16.022 -3.541 1.00 0.00 C ATOM 1496 CD2 LEU B 34 -4.403 16.366 -5.675 1.00 0.00 C ATOM 0 H LEU B 34 -3.273 14.785 -7.789 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.174 12.321 -6.165 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.545 13.662 -4.521 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.156 14.782 -5.812 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.774 14.702 -4.387 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.944 16.752 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.977 15.301 -2.771 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -2.354 16.533 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.063 17.056 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.548 16.913 -6.073 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.947 15.897 -6.495 1.00 0.00 H new ATOM 1508 N GLN B 35 -6.017 13.484 -7.024 1.00 0.00 N ATOM 1509 CA GLN B 35 -7.456 13.188 -6.945 1.00 0.00 C ATOM 1510 C GLN B 35 -7.818 11.792 -7.483 1.00 0.00 C ATOM 1511 O GLN B 35 -8.714 11.143 -6.947 1.00 0.00 O ATOM 1512 CB GLN B 35 -8.254 14.300 -7.634 1.00 0.00 C ATOM 1513 CG GLN B 35 -9.775 14.142 -7.489 1.00 0.00 C ATOM 1514 CD GLN B 35 -10.514 15.408 -7.922 1.00 0.00 C ATOM 1515 OE1 GLN B 35 -10.940 16.220 -7.110 1.00 0.00 O ATOM 1516 NE2 GLN B 35 -10.695 15.634 -9.207 1.00 0.00 N ATOM 0 H GLN B 35 -5.766 14.116 -7.784 1.00 0.00 H new ATOM 0 HA GLN B 35 -7.731 13.163 -5.890 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -7.955 15.262 -7.218 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -7.998 14.317 -8.693 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -10.113 13.298 -8.091 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -10.021 13.913 -6.452 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -10.346 14.968 -9.896 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -11.184 16.475 -9.513 1.00 0.00 H new ATOM 1525 N LYS B 36 -7.094 11.280 -8.488 1.00 0.00 N ATOM 1526 CA LYS B 36 -7.267 9.896 -8.977 1.00 0.00 C ATOM 1527 C LYS B 36 -6.839 8.833 -7.958 1.00 0.00 C ATOM 1528 O LYS B 36 -7.439 7.760 -7.922 1.00 0.00 O ATOM 1529 CB LYS B 36 -6.586 9.702 -10.347 1.00 0.00 C ATOM 1530 CG LYS B 36 -5.082 10.030 -10.344 1.00 0.00 C ATOM 1531 CD LYS B 36 -4.401 9.902 -11.715 1.00 0.00 C ATOM 1532 CE LYS B 36 -4.395 8.464 -12.245 1.00 0.00 C ATOM 1533 NZ LYS B 36 -3.684 8.373 -13.548 1.00 0.00 N ATOM 0 H LYS B 36 -6.375 11.806 -8.985 1.00 0.00 H new ATOM 0 HA LYS B 36 -8.338 9.746 -9.114 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -6.723 8.669 -10.667 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -7.085 10.333 -11.083 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -4.945 11.048 -9.978 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -4.580 9.367 -9.639 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -4.912 10.546 -12.431 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -3.374 10.261 -11.640 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -3.914 7.808 -11.519 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -5.420 8.113 -12.362 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -3.696 7.388 -13.882 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -4.159 8.981 -14.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -2.699 8.686 -13.429 1.00 0.00 H new ATOM 1547 N ILE B 37 -5.880 9.150 -7.079 1.00 0.00 N ATOM 1548 CA ILE B 37 -5.664 8.397 -5.832 1.00 0.00 C ATOM 1549 C ILE B 37 -6.869 8.624 -4.923 1.00 0.00 C ATOM 1550 O ILE B 37 -7.514 7.640 -4.606 1.00 0.00 O ATOM 1551 CB ILE B 37 -4.331 8.823 -5.169 1.00 0.00 C ATOM 1552 CG1 ILE B 37 -3.128 8.409 -6.033 1.00 0.00 C ATOM 1553 CG2 ILE B 37 -4.216 8.304 -3.722 1.00 0.00 C ATOM 1554 CD1 ILE B 37 -1.746 8.820 -5.510 1.00 0.00 C ATOM 0 H ILE B 37 -5.235 9.929 -7.208 1.00 0.00 H new ATOM 0 HA ILE B 37 -5.578 7.329 -6.034 1.00 0.00 H new ATOM 0 HB ILE B 37 -4.326 9.911 -5.106 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -3.143 7.325 -6.145 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -3.258 8.834 -7.028 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -3.266 8.625 -3.295 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -5.036 8.704 -3.126 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -4.264 7.215 -3.721 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -0.978 8.474 -6.201 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -1.697 9.906 -5.427 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -1.580 8.373 -4.530 1.00 0.00 H new ATOM 1566 N LEU B 38 -7.254 9.856 -4.558 1.00 0.00 N ATOM 1567 CA LEU B 38 -8.392 10.090 -3.645 1.00 0.00 C ATOM 1568 C LEU B 38 -9.675 9.309 -4.002 1.00 0.00 C ATOM 1569 O LEU B 38 -10.321 8.794 -3.093 1.00 0.00 O ATOM 1570 CB LEU B 38 -8.704 11.592 -3.515 1.00 0.00 C ATOM 1571 CG LEU B 38 -7.766 12.377 -2.578 1.00 0.00 C ATOM 1572 CD1 LEU B 38 -8.024 13.877 -2.713 1.00 0.00 C ATOM 1573 CD2 LEU B 38 -8.005 11.978 -1.118 1.00 0.00 C ATOM 0 H LEU B 38 -6.796 10.709 -4.879 1.00 0.00 H new ATOM 0 HA LEU B 38 -8.061 9.698 -2.683 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -8.662 12.043 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -9.727 11.705 -3.157 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.739 12.144 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -7.356 14.423 -2.047 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -7.842 14.186 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -9.059 14.094 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.333 12.543 -0.472 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -9.038 12.195 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.814 10.912 -0.996 1.00 0.00 H new ATOM 1585 N GLU B 39 -10.032 9.153 -5.282 1.00 0.00 N ATOM 1586 CA GLU B 39 -11.223 8.380 -5.679 1.00 0.00 C ATOM 1587 C GLU B 39 -11.089 6.854 -5.502 1.00 0.00 C ATOM 1588 O GLU B 39 -12.072 6.174 -5.200 1.00 0.00 O ATOM 1589 CB GLU B 39 -11.593 8.710 -7.134 1.00 0.00 C ATOM 1590 CG GLU B 39 -12.154 10.130 -7.287 1.00 0.00 C ATOM 1591 CD GLU B 39 -12.579 10.400 -8.743 1.00 0.00 C ATOM 1592 OE1 GLU B 39 -13.719 10.037 -9.124 1.00 0.00 O ATOM 1593 OE2 GLU B 39 -11.785 10.987 -9.518 1.00 0.00 O ATOM 0 H GLU B 39 -9.514 9.551 -6.065 1.00 0.00 H new ATOM 0 HA GLU B 39 -12.017 8.684 -4.996 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -10.710 8.601 -7.764 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -12.330 7.991 -7.491 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -13.009 10.261 -6.624 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.401 10.857 -6.983 1.00 0.00 H new ATOM 1600 N ASP B 40 -9.878 6.315 -5.635 1.00 0.00 N ATOM 1601 CA ASP B 40 -9.503 4.943 -5.274 1.00 0.00 C ATOM 1602 C ASP B 40 -9.370 4.766 -3.750 1.00 0.00 C ATOM 1603 O ASP B 40 -9.668 3.714 -3.193 1.00 0.00 O ATOM 1604 CB ASP B 40 -8.112 4.703 -5.899 1.00 0.00 C ATOM 1605 CG ASP B 40 -8.080 4.011 -7.268 1.00 0.00 C ATOM 1606 OD1 ASP B 40 -9.140 3.755 -7.889 1.00 0.00 O ATOM 1607 OD2 ASP B 40 -6.944 3.734 -7.719 1.00 0.00 O ATOM 0 H ASP B 40 -9.093 6.845 -6.015 1.00 0.00 H new ATOM 0 HA ASP B 40 -10.266 4.250 -5.627 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -7.611 5.666 -5.993 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -7.525 4.105 -5.202 1.00 0.00 H new ATOM 1612 N GLU B 41 -8.890 5.804 -3.074 1.00 0.00 N ATOM 1613 CA GLU B 41 -8.404 5.776 -1.694 1.00 0.00 C ATOM 1614 C GLU B 41 -9.585 5.927 -0.719 1.00 0.00 C ATOM 1615 O GLU B 41 -9.662 5.226 0.286 1.00 0.00 O ATOM 1616 CB GLU B 41 -7.321 6.883 -1.598 1.00 0.00 C ATOM 1617 CG GLU B 41 -6.176 6.807 -0.585 1.00 0.00 C ATOM 1618 CD GLU B 41 -5.502 5.445 -0.632 1.00 0.00 C ATOM 1619 OE1 GLU B 41 -5.988 4.470 -0.005 1.00 0.00 O ATOM 1620 OE2 GLU B 41 -4.480 5.292 -1.343 1.00 0.00 O ATOM 0 H GLU B 41 -8.825 6.733 -3.490 1.00 0.00 H new ATOM 0 HA GLU B 41 -7.946 4.828 -1.411 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.864 6.963 -2.584 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.845 7.821 -1.412 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -5.445 7.587 -0.797 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -6.559 6.994 0.418 1.00 0.00 H new ATOM 1627 N GLU B 42 -10.582 6.741 -1.079 1.00 0.00 N ATOM 1628 CA GLU B 42 -11.910 6.787 -0.450 1.00 0.00 C ATOM 1629 C GLU B 42 -12.663 5.451 -0.583 1.00 0.00 C ATOM 1630 O GLU B 42 -13.383 5.049 0.336 1.00 0.00 O ATOM 1631 CB GLU B 42 -12.695 7.953 -1.082 1.00 0.00 C ATOM 1632 CG GLU B 42 -14.062 8.258 -0.443 1.00 0.00 C ATOM 1633 CD GLU B 42 -15.261 7.450 -0.994 1.00 0.00 C ATOM 1634 OE1 GLU B 42 -15.201 6.907 -2.123 1.00 0.00 O ATOM 1635 OE2 GLU B 42 -16.315 7.417 -0.313 1.00 0.00 O ATOM 0 H GLU B 42 -10.486 7.410 -1.843 1.00 0.00 H new ATOM 0 HA GLU B 42 -11.800 6.952 0.622 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -12.081 8.852 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -12.849 7.734 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -13.989 8.077 0.629 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -14.273 9.319 -0.573 1.00 0.00 H new ATOM 1642 N LYS B 43 -12.447 4.720 -1.688 1.00 0.00 N ATOM 1643 CA LYS B 43 -13.034 3.391 -1.923 1.00 0.00 C ATOM 1644 C LYS B 43 -12.579 2.365 -0.884 1.00 0.00 C ATOM 1645 O LYS B 43 -13.397 1.593 -0.393 1.00 0.00 O ATOM 1646 CB LYS B 43 -12.739 2.930 -3.369 1.00 0.00 C ATOM 1647 CG LYS B 43 -13.926 2.218 -4.041 1.00 0.00 C ATOM 1648 CD LYS B 43 -14.873 3.176 -4.789 1.00 0.00 C ATOM 1649 CE LYS B 43 -15.458 4.263 -3.879 1.00 0.00 C ATOM 1650 NZ LYS B 43 -16.273 5.251 -4.625 1.00 0.00 N ATOM 0 H LYS B 43 -11.852 5.039 -2.453 1.00 0.00 H new ATOM 0 HA LYS B 43 -14.115 3.471 -1.806 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -12.459 3.797 -3.968 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -11.881 2.258 -3.360 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -13.545 1.476 -4.742 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -14.493 1.678 -3.282 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -14.332 3.648 -5.609 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -15.687 2.602 -5.232 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -16.073 3.796 -3.110 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -14.646 4.779 -3.367 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -16.235 6.170 -4.139 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -15.898 5.353 -5.589 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -17.259 4.924 -4.670 1.00 0.00 H new ATOM 1664 N HIS B 44 -11.314 2.402 -0.458 1.00 0.00 N ATOM 1665 CA HIS B 44 -10.792 1.572 0.607 1.00 0.00 C ATOM 1666 C HIS B 44 -11.439 1.882 1.952 1.00 0.00 C ATOM 1667 O HIS B 44 -11.773 0.957 2.682 1.00 0.00 O ATOM 1668 CB HIS B 44 -9.294 1.844 0.692 1.00 0.00 C ATOM 1669 CG HIS B 44 -8.491 1.596 -0.553 1.00 0.00 C ATOM 1670 ND1 HIS B 44 -7.158 1.997 -0.742 1.00 0.00 N ATOM 1671 CD2 HIS B 44 -8.940 0.962 -1.671 1.00 0.00 C ATOM 1672 CE1 HIS B 44 -6.866 1.605 -2.005 1.00 0.00 C ATOM 1673 NE2 HIS B 44 -7.918 0.997 -2.576 1.00 0.00 N ATOM 0 H HIS B 44 -10.616 3.028 -0.860 1.00 0.00 H new ATOM 0 HA HIS B 44 -11.008 0.527 0.386 1.00 0.00 H new ATOM 0 HB2 HIS B 44 -9.153 2.884 0.986 1.00 0.00 H new ATOM 0 HB3 HIS B 44 -8.881 1.228 1.491 1.00 0.00 H new ATOM 0 HD2 HIS B 44 -9.914 0.518 -1.814 1.00 0.00 H new ATOM 0 HE1 HIS B 44 -5.913 1.761 -2.489 1.00 0.00 H new ATOM 0 HE2 HIS B 44 -7.949 0.624 -3.525 1.00 0.00 H new ATOM 1681 N ILE B 45 -11.640 3.163 2.271 1.00 0.00 N ATOM 1682 CA ILE B 45 -12.284 3.605 3.516 1.00 0.00 C ATOM 1683 C ILE B 45 -13.752 3.137 3.571 1.00 0.00 C ATOM 1684 O ILE B 45 -14.199 2.671 4.619 1.00 0.00 O ATOM 1685 CB ILE B 45 -12.091 5.137 3.682 1.00 0.00 C ATOM 1686 CG1 ILE B 45 -10.776 5.475 4.429 1.00 0.00 C ATOM 1687 CG2 ILE B 45 -13.242 5.806 4.448 1.00 0.00 C ATOM 1688 CD1 ILE B 45 -9.482 5.183 3.664 1.00 0.00 C ATOM 0 H ILE B 45 -11.357 3.934 1.666 1.00 0.00 H new ATOM 0 HA ILE B 45 -11.807 3.138 4.378 1.00 0.00 H new ATOM 0 HB ILE B 45 -12.062 5.525 2.664 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -10.790 6.533 4.691 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -10.757 4.916 5.364 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -13.050 6.876 4.532 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -14.177 5.646 3.912 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -13.317 5.372 5.445 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -8.625 5.457 4.280 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -9.432 4.121 3.425 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -9.466 5.763 2.741 1.00 0.00 H new ATOM 1700 N GLU B 46 -14.483 3.160 2.448 1.00 0.00 N ATOM 1701 CA GLU B 46 -15.822 2.557 2.346 1.00 0.00 C ATOM 1702 C GLU B 46 -15.827 1.068 2.720 1.00 0.00 C ATOM 1703 O GLU B 46 -16.677 0.621 3.493 1.00 0.00 O ATOM 1704 CB GLU B 46 -16.375 2.732 0.918 1.00 0.00 C ATOM 1705 CG GLU B 46 -17.205 4.002 0.729 1.00 0.00 C ATOM 1706 CD GLU B 46 -18.592 3.883 1.392 1.00 0.00 C ATOM 1707 OE1 GLU B 46 -19.517 3.301 0.774 1.00 0.00 O ATOM 1708 OE2 GLU B 46 -18.773 4.375 2.533 1.00 0.00 O ATOM 0 H GLU B 46 -14.164 3.597 1.583 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.460 3.077 3.061 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -15.542 2.746 0.215 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -16.989 1.867 0.668 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -16.671 4.852 1.154 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.327 4.202 -0.336 1.00 0.00 H new ATOM 1715 N TRP B 47 -14.870 0.298 2.202 1.00 0.00 N ATOM 1716 CA TRP B 47 -14.765 -1.134 2.454 1.00 0.00 C ATOM 1717 C TRP B 47 -14.272 -1.434 3.878 1.00 0.00 C ATOM 1718 O TRP B 47 -14.797 -2.324 4.539 1.00 0.00 O ATOM 1719 CB TRP B 47 -13.807 -1.748 1.428 1.00 0.00 C ATOM 1720 CG TRP B 47 -14.027 -1.490 -0.039 1.00 0.00 C ATOM 1721 CD1 TRP B 47 -15.165 -1.083 -0.657 1.00 0.00 C ATOM 1722 CD2 TRP B 47 -13.029 -1.608 -1.098 1.00 0.00 C ATOM 1723 NE1 TRP B 47 -14.925 -0.918 -2.011 1.00 0.00 N ATOM 1724 CE2 TRP B 47 -13.619 -1.233 -2.339 1.00 0.00 C ATOM 1725 CE3 TRP B 47 -11.671 -1.993 -1.121 1.00 0.00 C ATOM 1726 CZ2 TRP B 47 -12.889 -1.235 -3.540 1.00 0.00 C ATOM 1727 CZ3 TRP B 47 -10.925 -2.004 -2.315 1.00 0.00 C ATOM 1728 CH2 TRP B 47 -11.533 -1.617 -3.525 1.00 0.00 C ATOM 0 H TRP B 47 -14.139 0.658 1.589 1.00 0.00 H new ATOM 0 HA TRP B 47 -15.758 -1.573 2.358 1.00 0.00 H new ATOM 0 HB2 TRP B 47 -12.802 -1.404 1.673 1.00 0.00 H new ATOM 0 HB3 TRP B 47 -13.819 -2.828 1.575 1.00 0.00 H new ATOM 0 HD1 TRP B 47 -16.113 -0.914 -0.168 1.00 0.00 H new ATOM 0 HE1 TRP B 47 -15.625 -0.603 -2.683 1.00 0.00 H new ATOM 0 HE3 TRP B 47 -11.192 -2.287 -0.199 1.00 0.00 H new ATOM 0 HZ2 TRP B 47 -13.363 -0.946 -4.466 1.00 0.00 H new ATOM 0 HZ3 TRP B 47 -9.889 -2.309 -2.303 1.00 0.00 H new ATOM 0 HH2 TRP B 47 -10.960 -1.613 -4.441 1.00 0.00 H new ATOM 1739 N LEU B 48 -13.313 -0.660 4.385 1.00 0.00 N ATOM 1740 CA LEU B 48 -12.794 -0.721 5.755 1.00 0.00 C ATOM 1741 C LEU B 48 -13.897 -0.556 6.804 1.00 0.00 C ATOM 1742 O LEU B 48 -13.965 -1.323 7.763 1.00 0.00 O ATOM 1743 CB LEU B 48 -11.724 0.377 5.901 1.00 0.00 C ATOM 1744 CG LEU B 48 -10.334 -0.079 5.445 1.00 0.00 C ATOM 1745 CD1 LEU B 48 -9.419 1.130 5.261 1.00 0.00 C ATOM 1746 CD2 LEU B 48 -9.687 -1.014 6.473 1.00 0.00 C ATOM 0 H LEU B 48 -12.854 0.061 3.828 1.00 0.00 H new ATOM 0 HA LEU B 48 -12.361 -1.705 5.931 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -12.024 1.249 5.319 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -11.674 0.692 6.943 1.00 0.00 H new ATOM 0 HG LEU B 48 -10.461 -0.612 4.503 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -8.434 0.795 4.937 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -9.842 1.795 4.508 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -9.327 1.664 6.207 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -8.702 -1.319 6.119 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -9.585 -0.493 7.425 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -10.313 -1.896 6.607 1.00 0.00 H new ATOM 1758 N GLU B 49 -14.812 0.386 6.587 1.00 0.00 N ATOM 1759 CA GLU B 49 -15.998 0.568 7.441 1.00 0.00 C ATOM 1760 C GLU B 49 -16.993 -0.593 7.343 1.00 0.00 C ATOM 1761 O GLU B 49 -17.682 -0.926 8.306 1.00 0.00 O ATOM 1762 CB GLU B 49 -16.727 1.861 7.049 1.00 0.00 C ATOM 1763 CG GLU B 49 -17.368 2.531 8.271 1.00 0.00 C ATOM 1764 CD GLU B 49 -18.136 3.809 7.881 1.00 0.00 C ATOM 1765 OE1 GLU B 49 -19.311 3.707 7.449 1.00 0.00 O ATOM 1766 OE2 GLU B 49 -17.590 4.930 8.031 1.00 0.00 O ATOM 0 H GLU B 49 -14.758 1.049 5.814 1.00 0.00 H new ATOM 0 HA GLU B 49 -15.634 0.613 8.467 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -16.024 2.550 6.581 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -17.495 1.638 6.309 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -18.049 1.831 8.755 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -16.595 2.778 8.998 1.00 0.00 H new ATOM 1773 N THR B 50 -17.046 -1.224 6.174 1.00 0.00 N ATOM 1774 CA THR B 50 -17.887 -2.404 5.910 1.00 0.00 C ATOM 1775 C THR B 50 -17.322 -3.671 6.570 1.00 0.00 C ATOM 1776 O THR B 50 -18.077 -4.560 6.972 1.00 0.00 O ATOM 1777 CB THR B 50 -18.087 -2.543 4.389 1.00 0.00 C ATOM 1778 OG1 THR B 50 -19.185 -1.738 4.005 1.00 0.00 O ATOM 1779 CG2 THR B 50 -18.366 -3.952 3.882 1.00 0.00 C ATOM 0 H THR B 50 -16.499 -0.931 5.365 1.00 0.00 H new ATOM 0 HA THR B 50 -18.866 -2.266 6.368 1.00 0.00 H new ATOM 0 HB THR B 50 -17.137 -2.239 3.950 1.00 0.00 H new ATOM 0 HG1 THR B 50 -19.324 -1.814 3.038 1.00 0.00 H new ATOM 0 HG21 THR B 50 -18.490 -3.931 2.799 1.00 0.00 H new ATOM 0 HG22 THR B 50 -17.531 -4.603 4.139 1.00 0.00 H new ATOM 0 HG23 THR B 50 -19.277 -4.331 4.344 1.00 0.00 H new ATOM 1787 N ILE B 51 -16.000 -3.727 6.745 1.00 0.00 N ATOM 1788 CA ILE B 51 -15.251 -4.832 7.364 1.00 0.00 C ATOM 1789 C ILE B 51 -15.024 -4.636 8.879 1.00 0.00 C ATOM 1790 O ILE B 51 -14.684 -5.582 9.593 1.00 0.00 O ATOM 1791 CB ILE B 51 -13.955 -5.061 6.540 1.00 0.00 C ATOM 1792 CG1 ILE B 51 -14.249 -5.537 5.092 1.00 0.00 C ATOM 1793 CG2 ILE B 51 -12.960 -6.030 7.199 1.00 0.00 C ATOM 1794 CD1 ILE B 51 -14.944 -6.897 4.947 1.00 0.00 C ATOM 0 H ILE B 51 -15.389 -2.967 6.445 1.00 0.00 H new ATOM 0 HA ILE B 51 -15.843 -5.747 7.327 1.00 0.00 H new ATOM 0 HB ILE B 51 -13.486 -4.078 6.507 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -14.868 -4.784 4.604 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -13.306 -5.576 4.547 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -12.081 -6.138 6.563 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -12.659 -5.637 8.170 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -13.433 -7.003 7.332 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -15.094 -7.118 3.890 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -14.323 -7.673 5.395 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -15.909 -6.868 5.453 1.00 0.00 H new ATOM 1806 N ASN B 52 -15.287 -3.434 9.389 1.00 0.00 N ATOM 1807 CA ASN B 52 -15.212 -3.059 10.805 1.00 0.00 C ATOM 1808 C ASN B 52 -15.929 -4.055 11.752 1.00 0.00 C ATOM 1809 O ASN B 52 -17.125 -4.323 11.596 1.00 0.00 O ATOM 1810 CB ASN B 52 -15.766 -1.631 10.952 1.00 0.00 C ATOM 1811 CG ASN B 52 -15.675 -1.108 12.375 1.00 0.00 C ATOM 1812 OD1 ASN B 52 -14.628 -1.123 13.003 1.00 0.00 O ATOM 1813 ND2 ASN B 52 -16.764 -0.637 12.938 1.00 0.00 N ATOM 0 H ASN B 52 -15.573 -2.654 8.798 1.00 0.00 H new ATOM 0 HA ASN B 52 -14.167 -3.095 11.115 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -15.217 -0.963 10.288 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -16.807 -1.615 10.630 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -16.732 -0.286 13.895 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -17.641 -0.622 12.418 1.00 0.00 H new ATOM 1820 N GLY B 53 -15.202 -4.579 12.749 1.00 0.00 N ATOM 1821 CA GLY B 53 -15.677 -5.541 13.758 1.00 0.00 C ATOM 1822 C GLY B 53 -14.541 -6.128 14.599 1.00 0.00 C ATOM 1823 O GLY B 53 -13.877 -5.361 15.330 1.00 0.00 O ATOM 1824 OXT GLY B 53 -14.314 -7.354 14.522 1.00 0.00 O ATOM 0 H GLY B 53 -14.221 -4.333 12.881 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -16.392 -5.047 14.416 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -16.209 -6.351 13.259 1.00 0.00 H new TER 1828 GLY B 53 HETATM 1829 ZN ZN A 54 -2.884 4.919 -1.879 1.00 0.00 ZN HETATM 1830 ZN ZN B 154 -5.857 2.832 0.687 1.00 0.00 ZN