USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 660 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 SER OG : rot 180:sc= -0.636 USER MOD Set 1.2: A 28 ASN : amide:sc= -4.44! C(o=-5.1!,f=-11!) USER MOD Set 2.1: A 14 LYS NZ :NH3+ 167:sc= 0 (180deg=0) USER MOD Set 2.2: A 15 GLN : amide:sc= -2.6 K(o=-2.6,f=-4.1) USER MOD Set 3.1: A 10 LYS NZ :NH3+ -159:sc= -0.134 (180deg=-0.688) USER MOD Set 3.2: A 50 LYS NZ :NH3+ -130:sc= -0.0096 (180deg=-0.014) USER MOD Single : A 1 LEU N :NH3+ -121:sc= 0.502 (180deg=-2.1!) USER MOD Single : A 2 LYS NZ :NH3+ 170:sc= -0.0007 (180deg=-0.0283) USER MOD Single : A 3 SER OG : rot -11:sc= 0.5 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 52:sc= 1.26 USER MOD Single : A 17 SER OG : rot 180:sc= -2.12! USER MOD Single : A 22 LYS NZ :NH3+ -148:sc= -0.0597 (180deg=-0.417) USER MOD Single : A 24 GLN : amide:sc= -1.64 K(o=-1.6,f=-0.43) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.35) USER MOD Single : A 30 THR OG1 : rot -14:sc= 0.934 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.56 K(o=-0.56,f=-3.3!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0244 USER MOD Single : A 58 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.18) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -6.9! C(o=-6.9!,f=-6.2!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.552 USER MOD Single : A 67 GLN : amide:sc= -1.37 X(o=-1.4,f=-1) USER MOD Single : A 72 TYR OH : rot 165:sc= -0.956 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.01 K(o=-1,f=-1.9) USER MOD Single : A 77 ASN : amide:sc= -5.71! K(o=-5.7!,f=-2.6) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc=-0.00848 X(o=-0.0085,f=0) USER MOD Single : A 137 PNS O33 : rot -101:sc= -0.0232 USER MOD Single : A 137 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.886 -6.526 -5.670 1.00 0.00 N ATOM 2 CA LEU A 1 2.501 -7.567 -4.853 1.00 0.00 C ATOM 3 C LEU A 1 3.813 -7.080 -4.248 1.00 0.00 C ATOM 4 O LEU A 1 4.113 -7.355 -3.085 1.00 0.00 O ATOM 5 CB LEU A 1 2.748 -8.822 -5.693 1.00 0.00 C ATOM 6 CG LEU A 1 2.704 -10.152 -4.941 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.269 -10.628 -4.781 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.538 -11.201 -5.663 1.00 0.00 C ATOM 0 H1 LEU A 1 0.940 -6.306 -5.297 1.00 0.00 H new ATOM 0 H2 LEU A 1 2.476 -5.670 -5.644 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.802 -6.859 -6.652 1.00 0.00 H new ATOM 0 HA LEU A 1 1.816 -7.810 -4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.005 -8.853 -6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.724 -8.729 -6.170 1.00 0.00 H new ATOM 0 HG LEU A 1 3.127 -10.000 -3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.258 -11.576 -4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.700 -9.886 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.819 -10.763 -5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.495 -12.141 -5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.144 -11.350 -6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.573 -10.864 -5.725 1.00 0.00 H new ATOM 20 N LYS A 2 4.592 -6.354 -5.042 1.00 0.00 N ATOM 21 CA LYS A 2 5.871 -5.824 -4.584 1.00 0.00 C ATOM 22 C LYS A 2 5.766 -4.333 -4.284 1.00 0.00 C ATOM 23 O LYS A 2 5.867 -3.913 -3.131 1.00 0.00 O ATOM 24 CB LYS A 2 6.954 -6.068 -5.638 1.00 0.00 C ATOM 25 CG LYS A 2 8.364 -6.054 -5.075 1.00 0.00 C ATOM 26 CD LYS A 2 8.888 -4.636 -4.919 1.00 0.00 C ATOM 27 CE LYS A 2 9.161 -4.301 -3.460 1.00 0.00 C ATOM 28 NZ LYS A 2 10.309 -5.078 -2.918 1.00 0.00 N ATOM 0 H LYS A 2 4.360 -6.119 -6.007 1.00 0.00 H new ATOM 0 HA LYS A 2 6.143 -6.343 -3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.773 -7.030 -6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.874 -5.306 -6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.375 -6.556 -4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.025 -6.617 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.804 -4.520 -5.498 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.162 -3.932 -5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.367 -3.235 -3.365 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.270 -4.508 -2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.571 -4.704 -1.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.039 -6.078 -2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.120 -4.995 -3.564 1.00 0.00 H new ATOM 42 N SER A 3 5.562 -3.536 -5.328 1.00 0.00 N ATOM 43 CA SER A 3 5.446 -2.091 -5.176 1.00 0.00 C ATOM 44 C SER A 3 4.776 -1.468 -6.397 1.00 0.00 C ATOM 45 O SER A 3 3.628 -1.026 -6.334 1.00 0.00 O ATOM 46 CB SER A 3 6.826 -1.466 -4.963 1.00 0.00 C ATOM 47 OG SER A 3 7.405 -1.911 -3.749 1.00 0.00 O ATOM 0 H SER A 3 5.474 -3.867 -6.289 1.00 0.00 H new ATOM 0 HA SER A 3 4.826 -1.892 -4.302 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.478 -1.724 -5.797 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.739 -0.380 -4.951 1.00 0.00 H new ATOM 0 HG SER A 3 6.732 -2.389 -3.221 1.00 0.00 H new ATOM 53 N THR A 4 5.502 -1.436 -7.510 1.00 0.00 N ATOM 54 CA THR A 4 4.981 -0.867 -8.747 1.00 0.00 C ATOM 55 C THR A 4 3.690 -1.559 -9.170 1.00 0.00 C ATOM 56 O THR A 4 2.880 -0.990 -9.901 1.00 0.00 O ATOM 57 CB THR A 4 6.007 -0.975 -9.891 1.00 0.00 C ATOM 58 OG1 THR A 4 5.447 -0.452 -11.101 1.00 0.00 O ATOM 59 CG2 THR A 4 6.429 -2.420 -10.105 1.00 0.00 C ATOM 0 H THR A 4 6.453 -1.798 -7.580 1.00 0.00 H new ATOM 0 HA THR A 4 4.778 0.185 -8.549 1.00 0.00 H new ATOM 0 HB THR A 4 6.887 -0.393 -9.617 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.105 -0.523 -11.823 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.154 -2.471 -10.918 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.881 -2.806 -9.191 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.556 -3.020 -10.360 1.00 0.00 H new ATOM 67 N PHE A 5 3.505 -2.790 -8.704 1.00 0.00 N ATOM 68 CA PHE A 5 2.311 -3.560 -9.035 1.00 0.00 C ATOM 69 C PHE A 5 1.050 -2.731 -8.813 1.00 0.00 C ATOM 70 O PHE A 5 0.059 -2.886 -9.526 1.00 0.00 O ATOM 71 CB PHE A 5 2.252 -4.835 -8.191 1.00 0.00 C ATOM 72 CG PHE A 5 1.811 -6.045 -8.964 1.00 0.00 C ATOM 73 CD1 PHE A 5 0.894 -5.928 -9.997 1.00 0.00 C ATOM 74 CD2 PHE A 5 2.313 -7.300 -8.658 1.00 0.00 C ATOM 75 CE1 PHE A 5 0.487 -7.040 -10.709 1.00 0.00 C ATOM 76 CE2 PHE A 5 1.909 -8.415 -9.367 1.00 0.00 C ATOM 77 CZ PHE A 5 0.996 -8.285 -10.394 1.00 0.00 C ATOM 0 H PHE A 5 4.166 -3.275 -8.097 1.00 0.00 H new ATOM 0 HA PHE A 5 2.364 -3.832 -10.089 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.237 -5.025 -7.765 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.569 -4.678 -7.357 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.493 -4.957 -10.248 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.028 -7.408 -7.856 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.229 -6.936 -11.511 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.307 -9.387 -9.118 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.680 -9.155 -10.950 1.00 0.00 H new ATOM 87 N ASP A 6 1.095 -1.850 -7.820 1.00 0.00 N ATOM 88 CA ASP A 6 -0.043 -0.995 -7.503 1.00 0.00 C ATOM 89 C ASP A 6 -0.490 -0.208 -8.731 1.00 0.00 C ATOM 90 O ASP A 6 -1.510 -0.522 -9.344 1.00 0.00 O ATOM 91 CB ASP A 6 0.314 -0.034 -6.368 1.00 0.00 C ATOM 92 CG ASP A 6 -0.390 -0.382 -5.071 1.00 0.00 C ATOM 93 OD1 ASP A 6 -0.293 -1.549 -4.638 1.00 0.00 O ATOM 94 OD2 ASP A 6 -1.038 0.513 -4.490 1.00 0.00 O ATOM 0 H ASP A 6 1.908 -1.709 -7.220 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.867 -1.633 -7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.392 -0.050 -6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.050 0.982 -6.660 1.00 0.00 H new ATOM 99 N ASP A 7 0.280 0.815 -9.084 1.00 0.00 N ATOM 100 CA ASP A 7 -0.036 1.647 -10.239 1.00 0.00 C ATOM 101 C ASP A 7 -0.073 0.814 -11.516 1.00 0.00 C ATOM 102 O ASP A 7 -0.755 1.165 -12.479 1.00 0.00 O ATOM 103 CB ASP A 7 0.989 2.773 -10.379 1.00 0.00 C ATOM 104 CG ASP A 7 0.696 3.942 -9.459 1.00 0.00 C ATOM 105 OD1 ASP A 7 0.558 3.716 -8.238 1.00 0.00 O ATOM 106 OD2 ASP A 7 0.604 5.082 -9.959 1.00 0.00 O ATOM 0 H ASP A 7 1.128 1.088 -8.587 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.023 2.082 -10.083 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.984 2.384 -10.161 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.002 3.122 -11.412 1.00 0.00 H new ATOM 111 N ILE A 8 0.667 -0.290 -11.517 1.00 0.00 N ATOM 112 CA ILE A 8 0.719 -1.173 -12.675 1.00 0.00 C ATOM 113 C ILE A 8 -0.607 -1.900 -12.872 1.00 0.00 C ATOM 114 O ILE A 8 -1.051 -2.110 -14.002 1.00 0.00 O ATOM 115 CB ILE A 8 1.846 -2.214 -12.540 1.00 0.00 C ATOM 116 CG1 ILE A 8 3.176 -1.622 -13.011 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.508 -3.468 -13.333 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.345 -2.570 -12.865 1.00 0.00 C ATOM 0 H ILE A 8 1.239 -0.594 -10.729 1.00 0.00 H new ATOM 0 HA ILE A 8 0.919 -0.544 -13.542 1.00 0.00 H new ATOM 0 HB ILE A 8 1.943 -2.488 -11.489 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.084 -1.330 -14.057 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.382 -0.714 -12.443 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.314 -4.194 -13.227 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.581 -3.898 -12.955 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.387 -3.211 -14.385 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.254 -2.084 -13.218 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.463 -2.843 -11.816 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.161 -3.468 -13.455 1.00 0.00 H new ATOM 130 N LYS A 9 -1.238 -2.280 -11.766 1.00 0.00 N ATOM 131 CA LYS A 9 -2.516 -2.980 -11.815 1.00 0.00 C ATOM 132 C LYS A 9 -3.657 -2.011 -12.107 1.00 0.00 C ATOM 133 O LYS A 9 -4.721 -2.412 -12.579 1.00 0.00 O ATOM 134 CB LYS A 9 -2.774 -3.706 -10.493 1.00 0.00 C ATOM 135 CG LYS A 9 -3.525 -2.865 -9.475 1.00 0.00 C ATOM 136 CD LYS A 9 -3.102 -3.200 -8.054 1.00 0.00 C ATOM 137 CE LYS A 9 -3.697 -2.225 -7.051 1.00 0.00 C ATOM 138 NZ LYS A 9 -5.100 -2.577 -6.699 1.00 0.00 N ATOM 0 H LYS A 9 -0.884 -2.115 -10.824 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.470 -3.712 -12.621 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.342 -4.615 -10.692 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.820 -4.014 -10.065 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.344 -1.808 -9.670 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.597 -3.030 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.418 -4.214 -7.809 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.015 -3.179 -7.982 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.087 -2.217 -6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.669 -1.217 -7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.469 -1.888 -6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.688 -2.560 -7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.125 -3.529 -6.281 1.00 0.00 H new ATOM 152 N LYS A 10 -3.427 -0.733 -11.826 1.00 0.00 N ATOM 153 CA LYS A 10 -4.434 0.295 -12.060 1.00 0.00 C ATOM 154 C LYS A 10 -4.440 0.727 -13.523 1.00 0.00 C ATOM 155 O LYS A 10 -5.483 1.089 -14.069 1.00 0.00 O ATOM 156 CB LYS A 10 -4.176 1.506 -11.161 1.00 0.00 C ATOM 157 CG LYS A 10 -3.558 2.686 -11.892 1.00 0.00 C ATOM 158 CD LYS A 10 -3.109 3.768 -10.924 1.00 0.00 C ATOM 159 CE LYS A 10 -4.289 4.569 -10.397 1.00 0.00 C ATOM 160 NZ LYS A 10 -5.039 5.239 -11.496 1.00 0.00 N ATOM 0 H LYS A 10 -2.552 -0.384 -11.436 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.410 -0.127 -11.819 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.117 1.821 -10.711 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.517 1.209 -10.346 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.705 2.345 -12.479 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.282 3.101 -12.593 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.575 3.313 -10.090 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.408 4.437 -11.424 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.961 3.908 -9.849 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.933 5.319 -9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.588 6.032 -11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.369 5.596 -12.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.685 4.556 -11.942 1.00 0.00 H new ATOM 174 N ILE A 11 -3.270 0.686 -14.152 1.00 0.00 N ATOM 175 CA ILE A 11 -3.142 1.071 -15.552 1.00 0.00 C ATOM 176 C ILE A 11 -3.599 -0.053 -16.475 1.00 0.00 C ATOM 177 O ILE A 11 -4.252 0.190 -17.491 1.00 0.00 O ATOM 178 CB ILE A 11 -1.691 1.450 -15.902 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.739 0.313 -15.526 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.294 2.737 -15.192 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.716 0.632 -15.785 1.00 0.00 C ATOM 0 H ILE A 11 -2.398 0.390 -13.714 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.781 1.942 -15.699 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.623 1.615 -16.977 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.868 0.076 -14.470 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.012 -0.580 -16.088 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.266 2.992 -15.449 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.957 3.544 -15.504 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.374 2.598 -14.114 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.332 -0.219 -15.495 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.860 0.840 -16.845 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.006 1.506 -15.202 1.00 0.00 H new ATOM 193 N ILE A 12 -3.251 -1.284 -16.115 1.00 0.00 N ATOM 194 CA ILE A 12 -3.628 -2.447 -16.910 1.00 0.00 C ATOM 195 C ILE A 12 -5.110 -2.766 -16.749 1.00 0.00 C ATOM 196 O ILE A 12 -5.760 -3.235 -17.684 1.00 0.00 O ATOM 197 CB ILE A 12 -2.802 -3.687 -16.520 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.140 -4.123 -15.092 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.315 -3.396 -16.653 1.00 0.00 C ATOM 200 CD1 ILE A 12 -2.344 -5.320 -14.622 1.00 0.00 C ATOM 0 H ILE A 12 -2.709 -1.502 -15.279 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.424 -2.197 -17.951 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.055 -4.502 -17.198 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.961 -3.289 -14.414 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.203 -4.358 -15.034 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.745 -4.282 -16.374 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.088 -3.128 -17.685 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.046 -2.569 -15.996 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.635 -5.573 -13.603 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.542 -6.168 -15.277 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.281 -5.082 -14.647 1.00 0.00 H new ATOM 212 N SER A 13 -5.640 -2.507 -15.558 1.00 0.00 N ATOM 213 CA SER A 13 -7.046 -2.768 -15.274 1.00 0.00 C ATOM 214 C SER A 13 -7.931 -1.669 -15.855 1.00 0.00 C ATOM 215 O SER A 13 -9.063 -1.921 -16.269 1.00 0.00 O ATOM 216 CB SER A 13 -7.272 -2.876 -13.764 1.00 0.00 C ATOM 217 OG SER A 13 -8.652 -2.975 -13.461 1.00 0.00 O ATOM 0 H SER A 13 -5.117 -2.117 -14.774 1.00 0.00 H new ATOM 0 HA SER A 13 -7.316 -3.714 -15.743 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.748 -3.749 -13.376 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.849 -2.003 -13.266 1.00 0.00 H new ATOM 0 HG SER A 13 -9.052 -3.697 -13.989 1.00 0.00 H new ATOM 223 N LYS A 14 -7.407 -0.448 -15.881 1.00 0.00 N ATOM 224 CA LYS A 14 -8.147 0.691 -16.411 1.00 0.00 C ATOM 225 C LYS A 14 -8.032 0.755 -17.931 1.00 0.00 C ATOM 226 O LYS A 14 -8.861 1.370 -18.599 1.00 0.00 O ATOM 227 CB LYS A 14 -7.629 1.993 -15.795 1.00 0.00 C ATOM 228 CG LYS A 14 -8.228 3.241 -16.419 1.00 0.00 C ATOM 229 CD LYS A 14 -7.284 3.863 -17.435 1.00 0.00 C ATOM 230 CE LYS A 14 -7.535 5.356 -17.587 1.00 0.00 C ATOM 231 NZ LYS A 14 -7.845 5.726 -18.996 1.00 0.00 N ATOM 0 H LYS A 14 -6.472 -0.222 -15.541 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.197 0.564 -16.148 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.846 1.991 -14.727 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.545 2.029 -15.900 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.172 2.990 -16.903 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.454 3.967 -15.638 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.252 3.696 -17.125 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.411 3.371 -18.400 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.363 5.652 -16.943 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.657 5.908 -17.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.222 6.695 -19.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.978 5.674 -19.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.552 5.067 -19.380 1.00 0.00 H new ATOM 245 N GLN A 15 -6.999 0.113 -18.469 1.00 0.00 N ATOM 246 CA GLN A 15 -6.777 0.097 -19.910 1.00 0.00 C ATOM 247 C GLN A 15 -7.390 -1.148 -20.541 1.00 0.00 C ATOM 248 O GLN A 15 -8.019 -1.076 -21.599 1.00 0.00 O ATOM 249 CB GLN A 15 -5.280 0.155 -20.218 1.00 0.00 C ATOM 250 CG GLN A 15 -4.676 1.539 -20.042 1.00 0.00 C ATOM 251 CD GLN A 15 -5.398 2.598 -20.852 1.00 0.00 C ATOM 252 OE1 GLN A 15 -5.944 2.315 -21.919 1.00 0.00 O ATOM 253 NE2 GLN A 15 -5.403 3.827 -20.350 1.00 0.00 N ATOM 0 H GLN A 15 -6.304 -0.402 -17.929 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.262 0.975 -20.336 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.756 -0.546 -19.568 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.115 -0.177 -21.243 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.704 1.812 -18.987 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.627 1.514 -20.337 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.938 4.017 -19.462 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.872 4.581 -20.852 1.00 0.00 H new ATOM 262 N LEU A 16 -7.204 -2.289 -19.888 1.00 0.00 N ATOM 263 CA LEU A 16 -7.739 -3.552 -20.385 1.00 0.00 C ATOM 264 C LEU A 16 -8.923 -4.013 -19.541 1.00 0.00 C ATOM 265 O LEU A 16 -10.076 -3.896 -19.955 1.00 0.00 O ATOM 266 CB LEU A 16 -6.649 -4.626 -20.384 1.00 0.00 C ATOM 267 CG LEU A 16 -5.479 -4.396 -21.342 1.00 0.00 C ATOM 268 CD1 LEU A 16 -4.322 -3.723 -20.620 1.00 0.00 C ATOM 269 CD2 LEU A 16 -5.031 -5.711 -21.962 1.00 0.00 C ATOM 0 H LEU A 16 -6.686 -2.366 -19.012 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.085 -3.394 -21.407 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.253 -4.712 -19.372 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.110 -5.583 -20.628 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.814 -3.736 -22.142 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.499 -3.568 -21.317 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.650 -2.761 -20.225 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.987 -4.357 -19.799 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.198 -5.528 -22.641 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.714 -6.395 -21.175 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.859 -6.153 -22.515 1.00 0.00 H new ATOM 281 N SER A 17 -8.629 -4.535 -18.354 1.00 0.00 N ATOM 282 CA SER A 17 -9.669 -5.014 -17.451 1.00 0.00 C ATOM 283 C SER A 17 -9.061 -5.564 -16.165 1.00 0.00 C ATOM 284 O SER A 17 -9.115 -4.922 -15.115 1.00 0.00 O ATOM 285 CB SER A 17 -10.508 -6.096 -18.135 1.00 0.00 C ATOM 286 OG SER A 17 -11.158 -6.916 -17.180 1.00 0.00 O ATOM 0 H SER A 17 -7.679 -4.637 -17.996 1.00 0.00 H new ATOM 0 HA SER A 17 -10.312 -4.171 -17.197 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.250 -5.630 -18.784 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.869 -6.709 -18.771 1.00 0.00 H new ATOM 0 HG SER A 17 -11.689 -7.598 -17.642 1.00 0.00 H new ATOM 292 N VAL A 18 -8.482 -6.757 -16.254 1.00 0.00 N ATOM 293 CA VAL A 18 -7.862 -7.394 -15.098 1.00 0.00 C ATOM 294 C VAL A 18 -6.825 -8.425 -15.529 1.00 0.00 C ATOM 295 O VAL A 18 -7.129 -9.347 -16.285 1.00 0.00 O ATOM 296 CB VAL A 18 -8.912 -8.081 -14.205 1.00 0.00 C ATOM 297 CG1 VAL A 18 -9.638 -7.056 -13.348 1.00 0.00 C ATOM 298 CG2 VAL A 18 -9.897 -8.871 -15.054 1.00 0.00 C ATOM 0 H VAL A 18 -8.429 -7.302 -17.115 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.371 -6.605 -14.528 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.399 -8.776 -13.540 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.376 -7.560 -12.724 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.919 -6.538 -12.713 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.140 -6.334 -13.992 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.632 -9.350 -14.407 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.405 -8.197 -15.744 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.360 -9.633 -15.620 1.00 0.00 H new ATOM 308 N GLU A 19 -5.598 -8.261 -15.043 1.00 0.00 N ATOM 309 CA GLU A 19 -4.515 -9.178 -15.379 1.00 0.00 C ATOM 310 C GLU A 19 -3.405 -9.115 -14.335 1.00 0.00 C ATOM 311 O GLU A 19 -2.241 -9.378 -14.635 1.00 0.00 O ATOM 312 CB GLU A 19 -3.949 -8.848 -16.762 1.00 0.00 C ATOM 313 CG GLU A 19 -3.748 -7.361 -16.999 1.00 0.00 C ATOM 314 CD GLU A 19 -4.719 -6.796 -18.017 1.00 0.00 C ATOM 315 OE1 GLU A 19 -5.914 -6.659 -17.685 1.00 0.00 O ATOM 316 OE2 GLU A 19 -4.282 -6.490 -19.147 1.00 0.00 O ATOM 0 H GLU A 19 -5.330 -7.502 -14.416 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.920 -10.190 -15.392 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.994 -9.359 -16.886 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.622 -9.241 -17.524 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.865 -6.828 -16.056 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.728 -7.186 -17.340 1.00 0.00 H new ATOM 323 N GLU A 20 -3.775 -8.764 -13.107 1.00 0.00 N ATOM 324 CA GLU A 20 -2.810 -8.665 -12.018 1.00 0.00 C ATOM 325 C GLU A 20 -2.350 -10.049 -11.571 1.00 0.00 C ATOM 326 O GLU A 20 -1.369 -10.183 -10.840 1.00 0.00 O ATOM 327 CB GLU A 20 -3.419 -7.911 -10.834 1.00 0.00 C ATOM 328 CG GLU A 20 -4.392 -8.745 -10.018 1.00 0.00 C ATOM 329 CD GLU A 20 -5.489 -7.909 -9.387 1.00 0.00 C ATOM 330 OE1 GLU A 20 -6.227 -7.236 -10.136 1.00 0.00 O ATOM 331 OE2 GLU A 20 -5.609 -7.928 -8.144 1.00 0.00 O ATOM 0 H GLU A 20 -4.735 -8.544 -12.842 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.944 -8.114 -12.384 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.616 -7.564 -10.183 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.935 -7.025 -11.205 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.841 -9.503 -10.659 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.846 -9.272 -9.235 1.00 0.00 H new ATOM 338 N ASP A 21 -3.065 -11.076 -12.017 1.00 0.00 N ATOM 339 CA ASP A 21 -2.731 -12.451 -11.664 1.00 0.00 C ATOM 340 C ASP A 21 -2.019 -13.150 -12.818 1.00 0.00 C ATOM 341 O ASP A 21 -2.388 -14.258 -13.209 1.00 0.00 O ATOM 342 CB ASP A 21 -3.995 -13.224 -11.284 1.00 0.00 C ATOM 343 CG ASP A 21 -4.418 -12.974 -9.850 1.00 0.00 C ATOM 344 OD1 ASP A 21 -3.669 -12.290 -9.122 1.00 0.00 O ATOM 345 OD2 ASP A 21 -5.497 -13.464 -9.455 1.00 0.00 O ATOM 0 H ASP A 21 -3.880 -10.982 -12.624 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.058 -12.427 -10.807 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.806 -12.939 -11.954 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.822 -14.291 -11.428 1.00 0.00 H new ATOM 350 N LYS A 22 -0.998 -12.496 -13.360 1.00 0.00 N ATOM 351 CA LYS A 22 -0.234 -13.053 -14.470 1.00 0.00 C ATOM 352 C LYS A 22 0.819 -12.063 -14.957 1.00 0.00 C ATOM 353 O LYS A 22 1.876 -12.459 -15.450 1.00 0.00 O ATOM 354 CB LYS A 22 -1.168 -13.429 -15.622 1.00 0.00 C ATOM 355 CG LYS A 22 -2.307 -12.446 -15.826 1.00 0.00 C ATOM 356 CD LYS A 22 -2.363 -11.947 -17.261 1.00 0.00 C ATOM 357 CE LYS A 22 -2.556 -13.093 -18.242 1.00 0.00 C ATOM 358 NZ LYS A 22 -1.347 -13.312 -19.084 1.00 0.00 N ATOM 0 H LYS A 22 -0.680 -11.578 -13.048 1.00 0.00 H new ATOM 0 HA LYS A 22 0.273 -13.950 -14.115 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.588 -13.496 -16.542 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.583 -14.419 -15.434 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.252 -12.924 -15.569 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.184 -11.600 -15.150 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.180 -11.234 -17.368 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.442 -11.414 -17.498 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.786 -14.006 -17.693 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.412 -12.882 -18.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.635 -13.656 -20.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.829 -12.416 -19.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.732 -14.017 -18.631 1.00 0.00 H new ATOM 372 N ILE A 23 0.525 -10.775 -14.814 1.00 0.00 N ATOM 373 CA ILE A 23 1.447 -9.730 -15.238 1.00 0.00 C ATOM 374 C ILE A 23 2.804 -9.886 -14.559 1.00 0.00 C ATOM 375 O ILE A 23 3.813 -9.373 -15.042 1.00 0.00 O ATOM 376 CB ILE A 23 0.890 -8.328 -14.929 1.00 0.00 C ATOM 377 CG1 ILE A 23 1.107 -7.394 -16.122 1.00 0.00 C ATOM 378 CG2 ILE A 23 1.546 -7.760 -13.679 1.00 0.00 C ATOM 379 CD1 ILE A 23 2.554 -7.289 -16.551 1.00 0.00 C ATOM 0 H ILE A 23 -0.345 -10.431 -14.408 1.00 0.00 H new ATOM 0 HA ILE A 23 1.568 -9.834 -16.316 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.181 -8.412 -14.747 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.512 -7.748 -16.964 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.739 -6.400 -15.867 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.142 -6.769 -13.474 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.345 -8.416 -12.832 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.623 -7.688 -13.834 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.633 -6.611 -17.401 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.152 -6.906 -15.724 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.921 -8.275 -16.838 1.00 0.00 H new ATOM 391 N GLN A 24 2.820 -10.599 -13.437 1.00 0.00 N ATOM 392 CA GLN A 24 4.053 -10.824 -12.693 1.00 0.00 C ATOM 393 C GLN A 24 4.762 -12.082 -13.182 1.00 0.00 C ATOM 394 O GLN A 24 5.273 -12.868 -12.384 1.00 0.00 O ATOM 395 CB GLN A 24 3.756 -10.940 -11.197 1.00 0.00 C ATOM 396 CG GLN A 24 3.053 -12.232 -10.814 1.00 0.00 C ATOM 397 CD GLN A 24 1.674 -11.996 -10.232 1.00 0.00 C ATOM 398 OE1 GLN A 24 1.516 -11.849 -9.020 1.00 0.00 O ATOM 399 NE2 GLN A 24 0.665 -11.957 -11.095 1.00 0.00 N ATOM 0 H GLN A 24 1.993 -11.030 -13.024 1.00 0.00 H new ATOM 0 HA GLN A 24 4.710 -9.971 -12.861 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.692 -10.867 -10.643 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.138 -10.096 -10.891 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.967 -12.869 -11.694 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.662 -12.771 -10.088 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.841 -12.084 -12.092 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.286 -11.800 -10.761 1.00 0.00 H new ATOM 408 N MET A 25 4.790 -12.266 -14.498 1.00 0.00 N ATOM 409 CA MET A 25 5.437 -13.430 -15.093 1.00 0.00 C ATOM 410 C MET A 25 6.942 -13.402 -14.841 1.00 0.00 C ATOM 411 O MET A 25 7.634 -14.396 -15.056 1.00 0.00 O ATOM 412 CB MET A 25 5.161 -13.480 -16.597 1.00 0.00 C ATOM 413 CG MET A 25 3.900 -14.249 -16.957 1.00 0.00 C ATOM 414 SD MET A 25 4.226 -15.981 -17.337 1.00 0.00 S ATOM 415 CE MET A 25 2.613 -16.513 -17.905 1.00 0.00 C ATOM 0 H MET A 25 4.373 -11.625 -15.172 1.00 0.00 H new ATOM 0 HA MET A 25 5.024 -14.324 -14.625 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.077 -12.462 -16.977 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.013 -13.939 -17.100 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.194 -14.190 -16.128 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.424 -13.776 -17.816 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.653 -17.567 -18.178 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.882 -16.372 -17.109 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.321 -15.924 -18.774 1.00 0.00 H new ATOM 425 N ASN A 26 7.440 -12.258 -14.384 1.00 0.00 N ATOM 426 CA ASN A 26 8.863 -12.102 -14.104 1.00 0.00 C ATOM 427 C ASN A 26 9.686 -12.223 -15.383 1.00 0.00 C ATOM 428 O ASN A 26 10.892 -12.463 -15.337 1.00 0.00 O ATOM 429 CB ASN A 26 9.322 -13.150 -13.088 1.00 0.00 C ATOM 430 CG ASN A 26 8.309 -13.362 -11.979 1.00 0.00 C ATOM 431 OD1 ASN A 26 7.648 -14.398 -11.918 1.00 0.00 O ATOM 432 ND2 ASN A 26 8.184 -12.378 -11.096 1.00 0.00 N ATOM 0 H ASN A 26 6.880 -11.426 -14.200 1.00 0.00 H new ATOM 0 HA ASN A 26 9.018 -11.107 -13.686 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.499 -14.096 -13.600 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.272 -12.840 -12.654 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.519 -12.464 -10.328 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.753 -11.537 -11.186 1.00 0.00 H new ATOM 439 N SER A 27 9.024 -12.054 -16.524 1.00 0.00 N ATOM 440 CA SER A 27 9.693 -12.147 -17.816 1.00 0.00 C ATOM 441 C SER A 27 9.563 -10.839 -18.591 1.00 0.00 C ATOM 442 O SER A 27 10.486 -10.026 -18.616 1.00 0.00 O ATOM 443 CB SER A 27 9.108 -13.299 -18.635 1.00 0.00 C ATOM 444 OG SER A 27 9.562 -13.253 -19.977 1.00 0.00 O ATOM 0 H SER A 27 8.026 -11.852 -16.579 1.00 0.00 H new ATOM 0 HA SER A 27 10.751 -12.339 -17.637 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.391 -14.250 -18.184 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.019 -13.248 -18.614 1.00 0.00 H new ATOM 0 HG SER A 27 9.175 -14.000 -20.479 1.00 0.00 H new ATOM 450 N ASN A 28 8.410 -10.645 -19.222 1.00 0.00 N ATOM 451 CA ASN A 28 8.157 -9.437 -19.999 1.00 0.00 C ATOM 452 C ASN A 28 6.695 -9.015 -19.890 1.00 0.00 C ATOM 453 O ASN A 28 5.845 -9.791 -19.452 1.00 0.00 O ATOM 454 CB ASN A 28 8.527 -9.662 -21.466 1.00 0.00 C ATOM 455 CG ASN A 28 9.462 -10.841 -21.652 1.00 0.00 C ATOM 456 OD1 ASN A 28 9.058 -11.898 -22.139 1.00 0.00 O ATOM 457 ND2 ASN A 28 10.720 -10.666 -21.264 1.00 0.00 N ATOM 0 H ASN A 28 7.636 -11.309 -19.211 1.00 0.00 H new ATOM 0 HA ASN A 28 8.778 -8.638 -19.593 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.619 -9.827 -22.046 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.998 -8.762 -21.861 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.395 -11.424 -21.364 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.011 -9.773 -20.866 1.00 0.00 H new ATOM 464 N PHE A 29 6.409 -7.781 -20.291 1.00 0.00 N ATOM 465 CA PHE A 29 5.050 -7.256 -20.239 1.00 0.00 C ATOM 466 C PHE A 29 4.266 -7.650 -21.487 1.00 0.00 C ATOM 467 O PHE A 29 3.171 -8.206 -21.398 1.00 0.00 O ATOM 468 CB PHE A 29 5.074 -5.733 -20.097 1.00 0.00 C ATOM 469 CG PHE A 29 4.618 -5.248 -18.751 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.347 -5.543 -17.610 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.460 -4.498 -18.626 1.00 0.00 C ATOM 472 CE1 PHE A 29 4.930 -5.099 -16.369 1.00 0.00 C ATOM 473 CE2 PHE A 29 3.038 -4.050 -17.388 1.00 0.00 C ATOM 474 CZ PHE A 29 3.773 -4.352 -16.258 1.00 0.00 C ATOM 0 H PHE A 29 7.100 -7.126 -20.656 1.00 0.00 H new ATOM 0 HA PHE A 29 4.554 -7.687 -19.369 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.088 -5.375 -20.279 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.439 -5.295 -20.866 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.252 -6.127 -17.691 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.880 -4.261 -19.506 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.508 -5.336 -15.488 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.134 -3.464 -17.304 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.444 -4.005 -15.290 1.00 0.00 H new ATOM 484 N THR A 30 4.835 -7.357 -22.653 1.00 0.00 N ATOM 485 CA THR A 30 4.190 -7.678 -23.920 1.00 0.00 C ATOM 486 C THR A 30 5.015 -8.681 -24.717 1.00 0.00 C ATOM 487 O THR A 30 4.628 -9.086 -25.814 1.00 0.00 O ATOM 488 CB THR A 30 3.971 -6.415 -24.775 1.00 0.00 C ATOM 489 OG1 THR A 30 3.410 -6.773 -26.042 1.00 0.00 O ATOM 490 CG2 THR A 30 5.281 -5.671 -24.986 1.00 0.00 C ATOM 0 H THR A 30 5.741 -6.898 -22.745 1.00 0.00 H new ATOM 0 HA THR A 30 3.222 -8.117 -23.680 1.00 0.00 H new ATOM 0 HB THR A 30 3.280 -5.759 -24.245 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.492 -7.741 -26.174 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.102 -4.783 -25.592 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.691 -5.374 -24.020 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.991 -6.322 -25.497 1.00 0.00 H new ATOM 498 N LYS A 31 6.153 -9.080 -24.160 1.00 0.00 N ATOM 499 CA LYS A 31 7.033 -10.039 -24.819 1.00 0.00 C ATOM 500 C LYS A 31 6.877 -11.428 -24.209 1.00 0.00 C ATOM 501 O LYS A 31 7.370 -12.415 -24.755 1.00 0.00 O ATOM 502 CB LYS A 31 8.490 -9.583 -24.710 1.00 0.00 C ATOM 503 CG LYS A 31 8.643 -8.115 -24.352 1.00 0.00 C ATOM 504 CD LYS A 31 10.105 -7.718 -24.241 1.00 0.00 C ATOM 505 CE LYS A 31 10.363 -6.359 -24.874 1.00 0.00 C ATOM 506 NZ LYS A 31 11.536 -5.675 -24.262 1.00 0.00 N ATOM 0 H LYS A 31 6.488 -8.754 -23.253 1.00 0.00 H new ATOM 0 HA LYS A 31 6.752 -10.090 -25.871 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.995 -10.187 -23.956 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.993 -9.771 -25.659 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.155 -7.502 -25.110 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.138 -7.915 -23.407 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.398 -7.693 -23.191 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.726 -8.471 -24.727 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.532 -6.483 -25.944 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.478 -5.732 -24.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.678 -4.753 -24.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.364 -5.533 -23.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.386 -6.261 -24.391 1.00 0.00 H new ATOM 520 N ASP A 32 6.187 -11.498 -23.076 1.00 0.00 N ATOM 521 CA ASP A 32 5.964 -12.767 -22.393 1.00 0.00 C ATOM 522 C ASP A 32 4.530 -13.249 -22.596 1.00 0.00 C ATOM 523 O ASP A 32 4.293 -14.280 -23.226 1.00 0.00 O ATOM 524 CB ASP A 32 6.261 -12.627 -20.900 1.00 0.00 C ATOM 525 CG ASP A 32 5.954 -13.895 -20.127 1.00 0.00 C ATOM 526 OD1 ASP A 32 4.792 -14.065 -19.704 1.00 0.00 O ATOM 527 OD2 ASP A 32 6.877 -14.717 -19.944 1.00 0.00 O ATOM 0 H ASP A 32 5.772 -10.690 -22.611 1.00 0.00 H new ATOM 0 HA ASP A 32 6.641 -13.506 -22.822 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.311 -12.367 -20.764 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.674 -11.805 -20.491 1.00 0.00 H new ATOM 532 N LEU A 33 3.577 -12.496 -22.057 1.00 0.00 N ATOM 533 CA LEU A 33 2.166 -12.846 -22.178 1.00 0.00 C ATOM 534 C LEU A 33 1.641 -12.519 -23.572 1.00 0.00 C ATOM 535 O LEU A 33 0.766 -13.208 -24.095 1.00 0.00 O ATOM 536 CB LEU A 33 1.344 -12.102 -21.124 1.00 0.00 C ATOM 537 CG LEU A 33 1.554 -10.589 -21.054 1.00 0.00 C ATOM 538 CD1 LEU A 33 0.292 -9.855 -21.481 1.00 0.00 C ATOM 539 CD2 LEU A 33 1.967 -10.172 -19.650 1.00 0.00 C ATOM 0 H LEU A 33 3.756 -11.640 -21.532 1.00 0.00 H new ATOM 0 HA LEU A 33 2.068 -13.919 -22.016 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.288 -12.294 -21.314 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.574 -12.526 -20.147 1.00 0.00 H new ATOM 0 HG LEU A 33 2.356 -10.320 -21.741 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.460 -8.779 -21.425 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.040 -10.130 -22.505 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.530 -10.129 -20.819 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.112 -9.092 -19.619 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.187 -10.454 -18.943 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.898 -10.671 -19.381 1.00 0.00 H new ATOM 551 N GLY A 34 2.185 -11.463 -24.172 1.00 0.00 N ATOM 552 CA GLY A 34 1.760 -11.065 -25.501 1.00 0.00 C ATOM 553 C GLY A 34 0.403 -10.390 -25.499 1.00 0.00 C ATOM 554 O GLY A 34 -0.530 -10.855 -26.152 1.00 0.00 O ATOM 0 H GLY A 34 2.912 -10.877 -23.761 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.499 -10.386 -25.927 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.724 -11.943 -26.146 1.00 0.00 H new ATOM 558 N ALA A 35 0.292 -9.291 -24.760 1.00 0.00 N ATOM 559 CA ALA A 35 -0.961 -8.551 -24.675 1.00 0.00 C ATOM 560 C ALA A 35 -1.188 -7.711 -25.927 1.00 0.00 C ATOM 561 O ALA A 35 -1.990 -8.068 -26.789 1.00 0.00 O ATOM 562 CB ALA A 35 -0.970 -7.668 -23.436 1.00 0.00 C ATOM 0 H ALA A 35 1.055 -8.894 -24.212 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.775 -9.272 -24.600 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.912 -7.121 -23.386 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.862 -8.288 -22.546 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.142 -6.961 -23.487 1.00 0.00 H new ATOM 568 N ASP A 36 -0.477 -6.592 -26.020 1.00 0.00 N ATOM 569 CA ASP A 36 -0.600 -5.701 -27.167 1.00 0.00 C ATOM 570 C ASP A 36 0.328 -4.499 -27.024 1.00 0.00 C ATOM 571 O ASP A 36 0.392 -3.831 -25.994 1.00 0.00 O ATOM 572 CB ASP A 36 -2.047 -5.228 -27.319 1.00 0.00 C ATOM 573 CG ASP A 36 -2.651 -5.631 -28.650 1.00 0.00 C ATOM 574 OD1 ASP A 36 -3.066 -6.800 -28.784 1.00 0.00 O ATOM 575 OD2 ASP A 36 -2.707 -4.776 -29.559 1.00 0.00 O ATOM 0 H ASP A 36 0.191 -6.281 -25.314 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.311 -6.256 -28.059 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.649 -5.642 -26.510 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.084 -4.143 -27.220 1.00 0.00 H new ATOM 580 N SER A 37 1.085 -4.203 -28.095 1.00 0.00 N ATOM 581 CA SER A 37 2.063 -3.096 -28.194 1.00 0.00 C ATOM 582 C SER A 37 1.452 -1.730 -27.837 1.00 0.00 C ATOM 583 O SER A 37 2.040 -0.928 -27.109 1.00 0.00 O ATOM 584 CB SER A 37 2.618 -3.114 -29.628 1.00 0.00 C ATOM 585 OG SER A 37 1.602 -2.790 -30.577 1.00 0.00 O ATOM 0 H SER A 37 1.033 -4.750 -28.954 1.00 0.00 H new ATOM 0 HA SER A 37 2.862 -3.243 -27.467 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.439 -2.402 -29.712 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.027 -4.100 -29.851 1.00 0.00 H new ATOM 590 N LEU A 38 0.259 -1.485 -28.367 1.00 0.00 N ATOM 591 CA LEU A 38 -0.445 -0.232 -28.120 1.00 0.00 C ATOM 592 C LEU A 38 -0.889 -0.135 -26.663 1.00 0.00 C ATOM 593 O LEU A 38 -0.731 0.905 -26.024 1.00 0.00 O ATOM 594 CB LEU A 38 -1.659 -0.115 -29.043 1.00 0.00 C ATOM 595 CG LEU A 38 -1.459 -0.603 -30.479 1.00 0.00 C ATOM 596 CD1 LEU A 38 -1.988 -2.020 -30.639 1.00 0.00 C ATOM 597 CD2 LEU A 38 -2.141 0.338 -31.461 1.00 0.00 C ATOM 0 H LEU A 38 -0.241 -2.138 -28.971 1.00 0.00 H new ATOM 0 HA LEU A 38 0.242 0.589 -28.327 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.482 -0.676 -28.601 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.967 0.930 -29.075 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.391 -0.610 -30.696 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.837 -2.351 -31.667 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.454 -2.686 -29.961 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.052 -2.040 -30.404 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.989 -0.024 -32.478 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.209 0.377 -31.246 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.715 1.337 -31.364 1.00 0.00 H new ATOM 609 N ASP A 39 -1.443 -1.226 -26.145 1.00 0.00 N ATOM 610 CA ASP A 39 -1.906 -1.265 -24.763 1.00 0.00 C ATOM 611 C ASP A 39 -0.739 -1.112 -23.794 1.00 0.00 C ATOM 612 O ASP A 39 -0.786 -0.297 -22.872 1.00 0.00 O ATOM 613 CB ASP A 39 -2.646 -2.576 -24.488 1.00 0.00 C ATOM 614 CG ASP A 39 -4.144 -2.447 -24.683 1.00 0.00 C ATOM 615 OD1 ASP A 39 -4.786 -1.735 -23.883 1.00 0.00 O ATOM 616 OD2 ASP A 39 -4.673 -3.059 -25.634 1.00 0.00 O ATOM 0 H ASP A 39 -1.582 -2.095 -26.661 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.591 -0.431 -24.611 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.262 -3.352 -25.150 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.442 -2.898 -23.467 1.00 0.00 H new ATOM 621 N LEU A 40 0.308 -1.902 -24.008 1.00 0.00 N ATOM 622 CA LEU A 40 1.489 -1.855 -23.152 1.00 0.00 C ATOM 623 C LEU A 40 2.007 -0.427 -23.016 1.00 0.00 C ATOM 624 O LEU A 40 2.186 0.077 -21.907 1.00 0.00 O ATOM 625 CB LEU A 40 2.588 -2.757 -23.717 1.00 0.00 C ATOM 626 CG LEU A 40 3.276 -3.685 -22.715 1.00 0.00 C ATOM 627 CD1 LEU A 40 3.940 -2.879 -21.609 1.00 0.00 C ATOM 628 CD2 LEU A 40 2.277 -4.673 -22.131 1.00 0.00 C ATOM 0 H LEU A 40 0.363 -2.582 -24.766 1.00 0.00 H new ATOM 0 HA LEU A 40 1.205 -2.214 -22.163 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.157 -3.367 -24.510 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.348 -2.125 -24.178 1.00 0.00 H new ATOM 0 HG LEU A 40 4.048 -4.247 -23.240 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.424 -3.556 -20.906 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.685 -2.212 -22.042 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.187 -2.290 -21.086 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.784 -5.326 -21.420 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.482 -4.128 -21.621 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.848 -5.274 -22.933 1.00 0.00 H new ATOM 640 N VAL A 41 2.244 0.222 -24.151 1.00 0.00 N ATOM 641 CA VAL A 41 2.738 1.594 -24.159 1.00 0.00 C ATOM 642 C VAL A 41 1.685 2.560 -23.628 1.00 0.00 C ATOM 643 O VAL A 41 2.009 3.657 -23.175 1.00 0.00 O ATOM 644 CB VAL A 41 3.153 2.033 -25.576 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.755 3.429 -25.548 1.00 0.00 C ATOM 646 CG2 VAL A 41 4.130 1.034 -26.178 1.00 0.00 C ATOM 0 H VAL A 41 2.102 -0.180 -25.078 1.00 0.00 H new ATOM 0 HA VAL A 41 3.612 1.620 -23.508 1.00 0.00 H new ATOM 0 HB VAL A 41 2.263 2.060 -26.204 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.042 3.722 -26.558 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.020 4.135 -25.161 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.635 3.433 -24.905 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.413 1.360 -27.179 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.020 0.973 -25.552 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.658 0.053 -26.235 1.00 0.00 H new ATOM 656 N GLU A 42 0.424 2.143 -23.686 1.00 0.00 N ATOM 657 CA GLU A 42 -0.676 2.973 -23.210 1.00 0.00 C ATOM 658 C GLU A 42 -0.743 2.966 -21.686 1.00 0.00 C ATOM 659 O GLU A 42 -0.568 4.000 -21.040 1.00 0.00 O ATOM 660 CB GLU A 42 -2.003 2.481 -23.792 1.00 0.00 C ATOM 661 CG GLU A 42 -3.220 2.941 -23.007 1.00 0.00 C ATOM 662 CD GLU A 42 -3.295 4.450 -22.877 1.00 0.00 C ATOM 663 OE1 GLU A 42 -3.672 5.112 -23.867 1.00 0.00 O ATOM 664 OE2 GLU A 42 -2.976 4.969 -21.787 1.00 0.00 O ATOM 0 H GLU A 42 0.139 1.237 -24.057 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.497 3.995 -23.544 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.091 2.831 -24.820 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.993 1.392 -23.826 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.123 2.577 -23.498 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.196 2.495 -22.013 1.00 0.00 H new ATOM 671 N LEU A 43 -0.999 1.793 -21.116 1.00 0.00 N ATOM 672 CA LEU A 43 -1.091 1.650 -19.667 1.00 0.00 C ATOM 673 C LEU A 43 0.126 2.264 -18.982 1.00 0.00 C ATOM 674 O LEU A 43 0.014 2.848 -17.903 1.00 0.00 O ATOM 675 CB LEU A 43 -1.213 0.173 -19.287 1.00 0.00 C ATOM 676 CG LEU A 43 -0.039 -0.722 -19.687 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.861 -0.988 -18.490 1.00 0.00 C ATOM 678 CD2 LEU A 43 -0.544 -2.029 -20.279 1.00 0.00 C ATOM 0 H LEU A 43 -1.146 0.928 -21.635 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.982 2.180 -19.330 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.344 0.106 -18.207 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.119 -0.225 -19.743 1.00 0.00 H new ATOM 0 HG LEU A 43 0.546 -0.204 -20.447 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.691 -1.626 -18.793 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.250 -0.043 -18.110 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.288 -1.485 -17.707 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.304 -2.654 -20.558 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.152 -2.552 -19.541 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.147 -1.819 -21.163 1.00 0.00 H new ATOM 690 N ILE A 44 1.286 2.131 -19.616 1.00 0.00 N ATOM 691 CA ILE A 44 2.522 2.676 -19.068 1.00 0.00 C ATOM 692 C ILE A 44 2.512 4.201 -19.100 1.00 0.00 C ATOM 693 O ILE A 44 2.857 4.854 -18.116 1.00 0.00 O ATOM 694 CB ILE A 44 3.753 2.166 -19.841 1.00 0.00 C ATOM 695 CG1 ILE A 44 3.950 0.668 -19.598 1.00 0.00 C ATOM 696 CG2 ILE A 44 4.995 2.943 -19.431 1.00 0.00 C ATOM 697 CD1 ILE A 44 4.996 0.043 -20.495 1.00 0.00 C ATOM 0 H ILE A 44 1.396 1.651 -20.509 1.00 0.00 H new ATOM 0 HA ILE A 44 2.586 2.337 -18.034 1.00 0.00 H new ATOM 0 HB ILE A 44 3.586 2.323 -20.907 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.235 0.511 -18.558 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.000 0.155 -19.749 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.856 2.571 -19.986 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.851 4.001 -19.650 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.168 2.814 -18.363 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.083 -1.019 -20.268 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.703 0.168 -21.537 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.957 0.529 -20.327 1.00 0.00 H new ATOM 709 N MET A 45 2.113 4.761 -20.237 1.00 0.00 N ATOM 710 CA MET A 45 2.054 6.209 -20.395 1.00 0.00 C ATOM 711 C MET A 45 1.266 6.850 -19.257 1.00 0.00 C ATOM 712 O MET A 45 1.531 7.987 -18.869 1.00 0.00 O ATOM 713 CB MET A 45 1.418 6.572 -21.739 1.00 0.00 C ATOM 714 CG MET A 45 -0.085 6.783 -21.662 1.00 0.00 C ATOM 715 SD MET A 45 -0.532 8.509 -21.397 1.00 0.00 S ATOM 716 CE MET A 45 -1.235 8.926 -22.990 1.00 0.00 C ATOM 0 H MET A 45 1.826 4.234 -21.062 1.00 0.00 H new ATOM 0 HA MET A 45 3.074 6.593 -20.368 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.885 7.480 -22.119 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.629 5.780 -22.457 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.545 6.430 -22.585 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.492 6.178 -20.852 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.559 9.967 -22.983 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.484 8.785 -23.767 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.090 8.281 -23.190 1.00 0.00 H new ATOM 726 N ALA A 46 0.297 6.112 -18.726 1.00 0.00 N ATOM 727 CA ALA A 46 -0.528 6.607 -17.632 1.00 0.00 C ATOM 728 C ALA A 46 0.196 6.477 -16.296 1.00 0.00 C ATOM 729 O ALA A 46 0.149 7.382 -15.462 1.00 0.00 O ATOM 730 CB ALA A 46 -1.854 5.862 -17.591 1.00 0.00 C ATOM 0 H ALA A 46 0.064 5.169 -19.036 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.724 7.665 -17.808 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.460 6.242 -16.769 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.384 6.011 -18.532 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.669 4.798 -17.443 1.00 0.00 H new ATOM 736 N LEU A 47 0.864 5.346 -16.099 1.00 0.00 N ATOM 737 CA LEU A 47 1.599 5.097 -14.863 1.00 0.00 C ATOM 738 C LEU A 47 2.580 6.229 -14.575 1.00 0.00 C ATOM 739 O LEU A 47 2.739 6.648 -13.429 1.00 0.00 O ATOM 740 CB LEU A 47 2.349 3.767 -14.952 1.00 0.00 C ATOM 741 CG LEU A 47 2.525 3.007 -13.637 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.377 1.765 -13.848 1.00 0.00 C ATOM 743 CD2 LEU A 47 3.144 3.908 -12.579 1.00 0.00 C ATOM 0 H LEU A 47 0.912 4.587 -16.779 1.00 0.00 H new ATOM 0 HA LEU A 47 0.880 5.048 -14.045 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.821 3.121 -15.654 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.336 3.957 -15.374 1.00 0.00 H new ATOM 0 HG LEU A 47 1.542 2.692 -13.287 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.491 1.237 -12.901 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.893 1.110 -14.572 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.359 2.056 -14.222 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.262 3.350 -11.650 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.120 4.254 -12.921 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.495 4.766 -12.407 1.00 0.00 H new ATOM 755 N GLU A 48 3.233 6.720 -15.623 1.00 0.00 N ATOM 756 CA GLU A 48 4.197 7.805 -15.482 1.00 0.00 C ATOM 757 C GLU A 48 3.490 9.155 -15.404 1.00 0.00 C ATOM 758 O GLU A 48 3.923 10.053 -14.682 1.00 0.00 O ATOM 759 CB GLU A 48 5.180 7.799 -16.654 1.00 0.00 C ATOM 760 CG GLU A 48 4.656 8.507 -17.892 1.00 0.00 C ATOM 761 CD GLU A 48 5.613 8.417 -19.065 1.00 0.00 C ATOM 762 OE1 GLU A 48 6.555 7.600 -19.000 1.00 0.00 O ATOM 763 OE2 GLU A 48 5.420 9.164 -20.047 1.00 0.00 O ATOM 0 H GLU A 48 3.112 6.384 -16.579 1.00 0.00 H new ATOM 0 HA GLU A 48 4.748 7.649 -14.554 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.109 8.274 -16.340 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.420 6.767 -16.910 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.697 8.073 -18.176 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.474 9.555 -17.656 1.00 0.00 H new ATOM 770 N GLU A 49 2.400 9.290 -16.152 1.00 0.00 N ATOM 771 CA GLU A 49 1.633 10.530 -16.168 1.00 0.00 C ATOM 772 C GLU A 49 0.998 10.795 -14.806 1.00 0.00 C ATOM 773 O GLU A 49 0.557 11.908 -14.520 1.00 0.00 O ATOM 774 CB GLU A 49 0.549 10.472 -17.246 1.00 0.00 C ATOM 775 CG GLU A 49 0.931 11.185 -18.533 1.00 0.00 C ATOM 776 CD GLU A 49 0.076 12.408 -18.798 1.00 0.00 C ATOM 777 OE1 GLU A 49 0.051 13.313 -17.938 1.00 0.00 O ATOM 778 OE2 GLU A 49 -0.570 12.460 -19.866 1.00 0.00 O ATOM 0 H GLU A 49 2.028 8.556 -16.755 1.00 0.00 H new ATOM 0 HA GLU A 49 2.318 11.347 -16.395 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.327 9.429 -17.471 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.366 10.915 -16.853 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.978 11.483 -18.482 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.837 10.492 -19.369 1.00 0.00 H new ATOM 785 N LYS A 50 0.954 9.764 -13.970 1.00 0.00 N ATOM 786 CA LYS A 50 0.374 9.882 -12.638 1.00 0.00 C ATOM 787 C LYS A 50 1.464 9.990 -11.577 1.00 0.00 C ATOM 788 O LYS A 50 1.366 10.795 -10.650 1.00 0.00 O ATOM 789 CB LYS A 50 -0.524 8.679 -12.341 1.00 0.00 C ATOM 790 CG LYS A 50 -1.072 8.664 -10.924 1.00 0.00 C ATOM 791 CD LYS A 50 -2.233 7.693 -10.786 1.00 0.00 C ATOM 792 CE LYS A 50 -3.572 8.404 -10.908 1.00 0.00 C ATOM 793 NZ LYS A 50 -4.137 8.290 -12.281 1.00 0.00 N ATOM 0 H LYS A 50 1.314 8.836 -14.192 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.227 10.791 -12.611 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.357 8.676 -13.044 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.041 7.763 -12.513 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.279 8.386 -10.229 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.400 9.666 -10.649 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.158 6.923 -11.554 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.174 7.189 -9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.275 7.981 -10.190 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.449 9.456 -10.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.417 9.232 -12.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.420 7.891 -12.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.970 7.667 -12.263 1.00 0.00 H new ATOM 807 N PHE A 51 2.505 9.176 -11.719 1.00 0.00 N ATOM 808 CA PHE A 51 3.614 9.181 -10.773 1.00 0.00 C ATOM 809 C PHE A 51 4.514 10.393 -10.997 1.00 0.00 C ATOM 810 O PHE A 51 5.331 10.738 -10.144 1.00 0.00 O ATOM 811 CB PHE A 51 4.431 7.894 -10.906 1.00 0.00 C ATOM 812 CG PHE A 51 4.226 6.933 -9.769 1.00 0.00 C ATOM 813 CD1 PHE A 51 2.963 6.725 -9.240 1.00 0.00 C ATOM 814 CD2 PHE A 51 5.297 6.239 -9.230 1.00 0.00 C ATOM 815 CE1 PHE A 51 2.771 5.843 -8.194 1.00 0.00 C ATOM 816 CE2 PHE A 51 5.112 5.355 -8.184 1.00 0.00 C ATOM 817 CZ PHE A 51 3.847 5.156 -7.666 1.00 0.00 C ATOM 0 H PHE A 51 2.603 8.504 -12.480 1.00 0.00 H new ATOM 0 HA PHE A 51 3.200 9.238 -9.766 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.166 7.400 -11.841 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.489 8.149 -10.969 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.118 7.259 -9.650 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.288 6.391 -9.632 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.781 5.691 -7.790 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.955 4.820 -7.772 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.699 4.465 -6.850 1.00 0.00 H new ATOM 827 N ASN A 52 4.358 11.034 -12.150 1.00 0.00 N ATOM 828 CA ASN A 52 5.156 12.207 -12.487 1.00 0.00 C ATOM 829 C ASN A 52 6.646 11.883 -12.436 1.00 0.00 C ATOM 830 O ASN A 52 7.395 12.475 -11.658 1.00 0.00 O ATOM 831 CB ASN A 52 4.839 13.357 -11.530 1.00 0.00 C ATOM 832 CG ASN A 52 5.405 14.680 -12.009 1.00 0.00 C ATOM 833 OD1 ASN A 52 6.397 14.717 -12.737 1.00 0.00 O ATOM 834 ND2 ASN A 52 4.773 15.776 -11.602 1.00 0.00 N ATOM 0 H ASN A 52 3.686 10.761 -12.867 1.00 0.00 H new ATOM 0 HA ASN A 52 4.903 12.509 -13.503 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.758 13.446 -11.419 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.243 13.128 -10.544 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.107 16.695 -11.893 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.954 15.698 -10.999 1.00 0.00 H new ATOM 841 N VAL A 53 7.071 10.940 -13.271 1.00 0.00 N ATOM 842 CA VAL A 53 8.471 10.538 -13.322 1.00 0.00 C ATOM 843 C VAL A 53 9.175 11.153 -14.527 1.00 0.00 C ATOM 844 O VAL A 53 8.615 12.003 -15.221 1.00 0.00 O ATOM 845 CB VAL A 53 8.614 9.006 -13.385 1.00 0.00 C ATOM 846 CG1 VAL A 53 9.758 8.540 -12.497 1.00 0.00 C ATOM 847 CG2 VAL A 53 7.310 8.333 -12.986 1.00 0.00 C ATOM 0 H VAL A 53 6.465 10.440 -13.922 1.00 0.00 H new ATOM 0 HA VAL A 53 8.938 10.901 -12.407 1.00 0.00 H new ATOM 0 HB VAL A 53 8.844 8.721 -14.412 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.844 7.455 -12.554 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.689 8.996 -12.834 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.562 8.835 -11.466 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.429 7.251 -13.036 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.048 8.622 -11.968 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.517 8.643 -13.667 1.00 0.00 H new ATOM 857 N THR A 54 10.407 10.718 -14.771 1.00 0.00 N ATOM 858 CA THR A 54 11.189 11.225 -15.892 1.00 0.00 C ATOM 859 C THR A 54 11.082 10.301 -17.100 1.00 0.00 C ATOM 860 O THR A 54 11.325 10.716 -18.234 1.00 0.00 O ATOM 861 CB THR A 54 12.673 11.387 -15.514 1.00 0.00 C ATOM 862 OG1 THR A 54 12.802 12.288 -14.409 1.00 0.00 O ATOM 863 CG2 THR A 54 13.479 11.906 -16.695 1.00 0.00 C ATOM 0 H THR A 54 10.885 10.015 -14.207 1.00 0.00 H new ATOM 0 HA THR A 54 10.778 12.202 -16.148 1.00 0.00 H new ATOM 0 HB THR A 54 13.062 10.409 -15.231 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.749 12.384 -14.174 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.524 12.012 -16.404 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.403 11.203 -17.524 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.088 12.875 -17.004 1.00 0.00 H new ATOM 871 N ILE A 55 10.716 9.049 -16.851 1.00 0.00 N ATOM 872 CA ILE A 55 10.575 8.067 -17.919 1.00 0.00 C ATOM 873 C ILE A 55 9.723 8.614 -19.059 1.00 0.00 C ATOM 874 O ILE A 55 9.088 9.661 -18.926 1.00 0.00 O ATOM 875 CB ILE A 55 9.945 6.760 -17.403 1.00 0.00 C ATOM 876 CG1 ILE A 55 8.915 7.061 -16.312 1.00 0.00 C ATOM 877 CG2 ILE A 55 11.022 5.824 -16.878 1.00 0.00 C ATOM 878 CD1 ILE A 55 7.769 6.074 -16.275 1.00 0.00 C ATOM 0 H ILE A 55 10.511 8.690 -15.918 1.00 0.00 H new ATOM 0 HA ILE A 55 11.579 7.855 -18.288 1.00 0.00 H new ATOM 0 HB ILE A 55 9.436 6.268 -18.232 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.414 7.063 -15.343 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.516 8.063 -16.467 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.561 4.905 -16.517 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.722 5.588 -17.680 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.557 6.307 -16.060 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.078 6.349 -15.478 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.245 6.089 -17.231 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.157 5.073 -16.089 1.00 0.00 H new ATOM 890 N SER A 56 9.712 7.899 -20.179 1.00 0.00 N ATOM 891 CA SER A 56 8.939 8.313 -21.344 1.00 0.00 C ATOM 892 C SER A 56 9.113 7.323 -22.492 1.00 0.00 C ATOM 893 O SER A 56 8.136 6.853 -23.074 1.00 0.00 O ATOM 894 CB SER A 56 9.364 9.712 -21.793 1.00 0.00 C ATOM 895 OG SER A 56 10.745 9.926 -21.557 1.00 0.00 O ATOM 0 H SER A 56 10.230 7.029 -20.304 1.00 0.00 H new ATOM 0 HA SER A 56 7.886 8.334 -21.062 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.150 9.837 -22.854 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.780 10.462 -21.259 1.00 0.00 H new ATOM 0 HG SER A 56 10.992 10.827 -21.854 1.00 0.00 H new ATOM 901 N ASP A 57 10.364 7.012 -22.811 1.00 0.00 N ATOM 902 CA ASP A 57 10.669 6.077 -23.888 1.00 0.00 C ATOM 903 C ASP A 57 11.463 4.885 -23.365 1.00 0.00 C ATOM 904 O ASP A 57 11.819 3.984 -24.124 1.00 0.00 O ATOM 905 CB ASP A 57 11.453 6.782 -24.996 1.00 0.00 C ATOM 906 CG ASP A 57 10.575 7.679 -25.847 1.00 0.00 C ATOM 907 OD1 ASP A 57 9.477 8.049 -25.381 1.00 0.00 O ATOM 908 OD2 ASP A 57 10.986 8.011 -26.978 1.00 0.00 O ATOM 0 H ASP A 57 11.184 7.394 -22.339 1.00 0.00 H new ATOM 0 HA ASP A 57 9.727 5.711 -24.296 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.251 7.376 -24.551 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.929 6.035 -25.632 1.00 0.00 H new ATOM 913 N GLN A 58 11.738 4.888 -22.064 1.00 0.00 N ATOM 914 CA GLN A 58 12.492 3.807 -21.441 1.00 0.00 C ATOM 915 C GLN A 58 11.614 3.017 -20.476 1.00 0.00 C ATOM 916 O GLN A 58 11.945 1.893 -20.098 1.00 0.00 O ATOM 917 CB GLN A 58 13.708 4.366 -20.701 1.00 0.00 C ATOM 918 CG GLN A 58 14.670 5.126 -21.600 1.00 0.00 C ATOM 919 CD GLN A 58 15.108 4.316 -22.804 1.00 0.00 C ATOM 920 OE1 GLN A 58 15.868 3.356 -22.677 1.00 0.00 O ATOM 921 NE2 GLN A 58 14.630 4.700 -23.982 1.00 0.00 N ATOM 0 H GLN A 58 11.450 5.626 -21.422 1.00 0.00 H new ATOM 0 HA GLN A 58 12.832 3.134 -22.228 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.366 5.029 -19.906 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.242 3.544 -20.224 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.194 6.046 -21.940 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.548 5.416 -21.023 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.002 5.502 -24.041 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.890 4.193 -24.828 1.00 0.00 H new ATOM 930 N ASP A 59 10.494 3.612 -20.080 1.00 0.00 N ATOM 931 CA ASP A 59 9.568 2.964 -19.159 1.00 0.00 C ATOM 932 C ASP A 59 9.218 1.559 -19.640 1.00 0.00 C ATOM 933 O ASP A 59 9.384 0.583 -18.908 1.00 0.00 O ATOM 934 CB ASP A 59 8.294 3.798 -19.012 1.00 0.00 C ATOM 935 CG ASP A 59 7.880 4.457 -20.313 1.00 0.00 C ATOM 936 OD1 ASP A 59 7.296 3.762 -21.171 1.00 0.00 O ATOM 937 OD2 ASP A 59 8.140 5.668 -20.473 1.00 0.00 O ATOM 0 H ASP A 59 10.206 4.542 -20.383 1.00 0.00 H new ATOM 0 HA ASP A 59 10.056 2.885 -18.187 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.484 3.160 -18.658 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.451 4.565 -18.253 1.00 0.00 H new ATOM 942 N ALA A 60 8.732 1.464 -20.873 1.00 0.00 N ATOM 943 CA ALA A 60 8.361 0.179 -21.451 1.00 0.00 C ATOM 944 C ALA A 60 9.571 -0.741 -21.570 1.00 0.00 C ATOM 945 O ALA A 60 9.430 -1.944 -21.792 1.00 0.00 O ATOM 946 CB ALA A 60 7.713 0.380 -22.813 1.00 0.00 C ATOM 0 H ALA A 60 8.586 2.262 -21.491 1.00 0.00 H new ATOM 0 HA ALA A 60 7.641 -0.296 -20.784 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.441 -0.588 -23.233 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.818 0.992 -22.703 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.415 0.880 -23.480 1.00 0.00 H new ATOM 952 N LEU A 61 10.760 -0.167 -21.421 1.00 0.00 N ATOM 953 CA LEU A 61 11.997 -0.936 -21.512 1.00 0.00 C ATOM 954 C LEU A 61 12.555 -1.236 -20.125 1.00 0.00 C ATOM 955 O LEU A 61 13.744 -1.516 -19.969 1.00 0.00 O ATOM 956 CB LEU A 61 13.035 -0.174 -22.338 1.00 0.00 C ATOM 957 CG LEU A 61 12.723 -0.015 -23.826 1.00 0.00 C ATOM 958 CD1 LEU A 61 13.617 1.047 -24.448 1.00 0.00 C ATOM 959 CD2 LEU A 61 12.887 -1.343 -24.550 1.00 0.00 C ATOM 0 H LEU A 61 10.894 0.827 -21.237 1.00 0.00 H new ATOM 0 HA LEU A 61 11.772 -1.882 -22.005 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.157 0.819 -21.905 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.993 -0.684 -22.241 1.00 0.00 H new ATOM 0 HG LEU A 61 11.686 0.306 -23.928 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.381 1.146 -25.507 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.451 2.001 -23.948 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.661 0.755 -24.335 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.661 -1.211 -25.608 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.913 -1.693 -24.439 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.205 -2.077 -24.122 1.00 0.00 H new ATOM 971 N LYS A 62 11.689 -1.178 -19.119 1.00 0.00 N ATOM 972 CA LYS A 62 12.092 -1.447 -17.744 1.00 0.00 C ATOM 973 C LYS A 62 11.002 -2.206 -16.995 1.00 0.00 C ATOM 974 O LYS A 62 11.236 -3.299 -16.478 1.00 0.00 O ATOM 975 CB LYS A 62 12.407 -0.137 -17.018 1.00 0.00 C ATOM 976 CG LYS A 62 13.891 0.086 -16.782 1.00 0.00 C ATOM 977 CD LYS A 62 14.134 1.128 -15.704 1.00 0.00 C ATOM 978 CE LYS A 62 13.563 2.482 -16.098 1.00 0.00 C ATOM 979 NZ LYS A 62 14.620 3.528 -16.176 1.00 0.00 N ATOM 0 H LYS A 62 10.702 -0.947 -19.231 1.00 0.00 H new ATOM 0 HA LYS A 62 12.989 -2.066 -17.770 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.011 0.695 -17.600 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.890 -0.130 -16.058 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.360 -0.855 -16.492 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.364 0.405 -17.711 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.680 0.799 -14.769 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.205 1.222 -15.523 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.063 2.398 -17.063 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.807 2.783 -15.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.191 4.436 -16.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.080 3.626 -15.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.328 3.254 -16.887 1.00 0.00 H new ATOM 993 N ILE A 63 9.810 -1.621 -16.942 1.00 0.00 N ATOM 994 CA ILE A 63 8.684 -2.244 -16.258 1.00 0.00 C ATOM 995 C ILE A 63 8.378 -3.619 -16.843 1.00 0.00 C ATOM 996 O ILE A 63 7.741 -4.451 -16.199 1.00 0.00 O ATOM 997 CB ILE A 63 7.419 -1.370 -16.345 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.605 -0.083 -15.538 1.00 0.00 C ATOM 999 CG2 ILE A 63 6.206 -2.142 -15.848 1.00 0.00 C ATOM 1000 CD1 ILE A 63 8.220 1.046 -16.335 1.00 0.00 C ATOM 0 H ILE A 63 9.599 -0.717 -17.364 1.00 0.00 H new ATOM 0 HA ILE A 63 8.971 -2.352 -15.212 1.00 0.00 H new ATOM 0 HB ILE A 63 7.252 -1.102 -17.388 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.637 0.239 -15.155 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.236 -0.293 -14.674 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.320 -1.511 -15.916 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.065 -3.032 -16.461 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.363 -2.437 -14.810 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.322 1.926 -15.700 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.203 0.743 -16.696 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.579 1.284 -17.184 1.00 0.00 H new ATOM 1012 N ASN A 64 8.841 -3.851 -18.067 1.00 0.00 N ATOM 1013 CA ASN A 64 8.618 -5.126 -18.739 1.00 0.00 C ATOM 1014 C ASN A 64 8.885 -6.294 -17.793 1.00 0.00 C ATOM 1015 O ASN A 64 8.210 -7.322 -17.851 1.00 0.00 O ATOM 1016 CB ASN A 64 9.515 -5.240 -19.973 1.00 0.00 C ATOM 1017 CG ASN A 64 10.920 -5.694 -19.627 1.00 0.00 C ATOM 1018 OD1 ASN A 64 11.368 -6.753 -20.068 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.622 -4.894 -18.833 1.00 0.00 N ATOM 0 H ASN A 64 9.373 -3.173 -18.613 1.00 0.00 H new ATOM 0 HA ASN A 64 7.575 -5.166 -19.052 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.072 -5.944 -20.677 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.562 -4.274 -20.475 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.573 -5.148 -18.565 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.210 -4.026 -18.491 1.00 0.00 H new ATOM 1026 N THR A 65 9.875 -6.127 -16.921 1.00 0.00 N ATOM 1027 CA THR A 65 10.232 -7.166 -15.963 1.00 0.00 C ATOM 1028 C THR A 65 9.928 -6.725 -14.536 1.00 0.00 C ATOM 1029 O THR A 65 10.319 -5.636 -14.115 1.00 0.00 O ATOM 1030 CB THR A 65 11.724 -7.537 -16.067 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.530 -6.481 -15.532 1.00 0.00 O ATOM 1032 CG2 THR A 65 12.116 -7.798 -17.514 1.00 0.00 C ATOM 0 H THR A 65 10.443 -5.282 -16.859 1.00 0.00 H new ATOM 0 HA THR A 65 9.630 -8.041 -16.206 1.00 0.00 H new ATOM 0 HB THR A 65 11.891 -8.448 -15.491 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.477 -6.725 -15.600 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.173 -8.058 -17.563 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.521 -8.621 -17.909 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.935 -6.902 -18.107 1.00 0.00 H new ATOM 1040 N VAL A 66 9.229 -7.579 -13.794 1.00 0.00 N ATOM 1041 CA VAL A 66 8.874 -7.278 -12.413 1.00 0.00 C ATOM 1042 C VAL A 66 10.074 -6.738 -11.642 1.00 0.00 C ATOM 1043 O VAL A 66 9.924 -5.912 -10.742 1.00 0.00 O ATOM 1044 CB VAL A 66 8.332 -8.525 -11.688 1.00 0.00 C ATOM 1045 CG1 VAL A 66 8.070 -8.219 -10.222 1.00 0.00 C ATOM 1046 CG2 VAL A 66 7.069 -9.029 -12.370 1.00 0.00 C ATOM 0 H VAL A 66 8.898 -8.484 -14.127 1.00 0.00 H new ATOM 0 HA VAL A 66 8.094 -6.517 -12.446 1.00 0.00 H new ATOM 0 HB VAL A 66 9.085 -9.311 -11.741 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.688 -9.112 -9.727 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.999 -7.908 -9.744 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.335 -7.418 -10.143 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.699 -9.910 -11.846 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.308 -8.249 -12.350 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.293 -9.290 -13.404 1.00 0.00 H new ATOM 1056 N GLN A 67 11.263 -7.210 -12.003 1.00 0.00 N ATOM 1057 CA GLN A 67 12.489 -6.773 -11.345 1.00 0.00 C ATOM 1058 C GLN A 67 12.772 -5.304 -11.640 1.00 0.00 C ATOM 1059 O GLN A 67 12.810 -4.475 -10.731 1.00 0.00 O ATOM 1060 CB GLN A 67 13.670 -7.634 -11.798 1.00 0.00 C ATOM 1061 CG GLN A 67 14.785 -7.726 -10.769 1.00 0.00 C ATOM 1062 CD GLN A 67 15.290 -6.365 -10.333 1.00 0.00 C ATOM 1063 OE1 GLN A 67 16.178 -5.788 -10.962 1.00 0.00 O ATOM 1064 NE2 GLN A 67 14.726 -5.843 -9.250 1.00 0.00 N ATOM 0 H GLN A 67 11.403 -7.894 -12.746 1.00 0.00 H new ATOM 0 HA GLN A 67 12.355 -6.889 -10.269 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.311 -8.638 -12.024 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.074 -7.224 -12.724 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.425 -8.272 -9.897 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.613 -8.300 -11.186 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.993 -6.356 -8.759 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.025 -4.929 -8.909 1.00 0.00 H new ATOM 1073 N ASP A 68 12.970 -4.990 -12.915 1.00 0.00 N ATOM 1074 CA ASP A 68 13.249 -3.620 -13.330 1.00 0.00 C ATOM 1075 C ASP A 68 12.069 -2.706 -13.016 1.00 0.00 C ATOM 1076 O ASP A 68 12.238 -1.502 -12.825 1.00 0.00 O ATOM 1077 CB ASP A 68 13.563 -3.572 -14.826 1.00 0.00 C ATOM 1078 CG ASP A 68 15.010 -3.911 -15.125 1.00 0.00 C ATOM 1079 OD1 ASP A 68 15.470 -4.986 -14.687 1.00 0.00 O ATOM 1080 OD2 ASP A 68 15.683 -3.101 -15.797 1.00 0.00 O ATOM 0 H ASP A 68 12.943 -5.665 -13.679 1.00 0.00 H new ATOM 0 HA ASP A 68 14.117 -3.267 -12.773 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.913 -4.270 -15.353 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.339 -2.576 -15.209 1.00 0.00 H new ATOM 1085 N ALA A 69 10.875 -3.286 -12.965 1.00 0.00 N ATOM 1086 CA ALA A 69 9.667 -2.524 -12.673 1.00 0.00 C ATOM 1087 C ALA A 69 9.741 -1.886 -11.290 1.00 0.00 C ATOM 1088 O ALA A 69 9.793 -0.662 -11.163 1.00 0.00 O ATOM 1089 CB ALA A 69 8.440 -3.418 -12.779 1.00 0.00 C ATOM 0 H ALA A 69 10.718 -4.282 -13.122 1.00 0.00 H new ATOM 0 HA ALA A 69 9.585 -1.724 -13.409 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.545 -2.836 -12.558 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.370 -3.822 -13.789 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.524 -4.238 -12.066 1.00 0.00 H new ATOM 1095 N ILE A 70 9.744 -2.722 -10.258 1.00 0.00 N ATOM 1096 CA ILE A 70 9.812 -2.238 -8.884 1.00 0.00 C ATOM 1097 C ILE A 70 11.066 -1.400 -8.658 1.00 0.00 C ATOM 1098 O ILE A 70 11.098 -0.537 -7.781 1.00 0.00 O ATOM 1099 CB ILE A 70 9.797 -3.402 -7.876 1.00 0.00 C ATOM 1100 CG1 ILE A 70 11.088 -4.217 -7.986 1.00 0.00 C ATOM 1101 CG2 ILE A 70 8.583 -4.289 -8.109 1.00 0.00 C ATOM 1102 CD1 ILE A 70 12.110 -3.877 -6.924 1.00 0.00 C ATOM 0 H ILE A 70 9.700 -3.737 -10.346 1.00 0.00 H new ATOM 0 HA ILE A 70 8.930 -1.618 -8.723 1.00 0.00 H new ATOM 0 HB ILE A 70 9.734 -2.990 -6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.845 -5.278 -7.919 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.529 -4.053 -8.969 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.587 -5.107 -7.389 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.674 -3.701 -7.986 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.618 -4.695 -9.120 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.998 -4.493 -7.064 1.00 0.00 H new ATOM 0 HD12 ILE A 70 12.382 -2.824 -7.004 1.00 0.00 H new ATOM 0 HD13 ILE A 70 11.687 -4.068 -5.938 1.00 0.00 H new ATOM 1114 N ASP A 71 12.096 -1.660 -9.456 1.00 0.00 N ATOM 1115 CA ASP A 71 13.352 -0.927 -9.345 1.00 0.00 C ATOM 1116 C ASP A 71 13.259 0.421 -10.053 1.00 0.00 C ATOM 1117 O ASP A 71 14.016 1.345 -9.752 1.00 0.00 O ATOM 1118 CB ASP A 71 14.500 -1.749 -9.934 1.00 0.00 C ATOM 1119 CG ASP A 71 15.821 -1.006 -9.900 1.00 0.00 C ATOM 1120 OD1 ASP A 71 16.501 -1.054 -8.854 1.00 0.00 O ATOM 1121 OD2 ASP A 71 16.174 -0.375 -10.919 1.00 0.00 O ATOM 0 H ASP A 71 12.086 -2.372 -10.186 1.00 0.00 H new ATOM 0 HA ASP A 71 13.548 -0.749 -8.288 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.597 -2.682 -9.379 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.262 -2.014 -10.964 1.00 0.00 H new ATOM 1126 N TYR A 72 12.329 0.526 -10.995 1.00 0.00 N ATOM 1127 CA TYR A 72 12.140 1.759 -11.749 1.00 0.00 C ATOM 1128 C TYR A 72 11.355 2.782 -10.932 1.00 0.00 C ATOM 1129 O TYR A 72 11.578 3.987 -11.046 1.00 0.00 O ATOM 1130 CB TYR A 72 11.411 1.473 -13.063 1.00 0.00 C ATOM 1131 CG TYR A 72 10.192 2.339 -13.281 1.00 0.00 C ATOM 1132 CD1 TYR A 72 10.320 3.677 -13.632 1.00 0.00 C ATOM 1133 CD2 TYR A 72 8.911 1.820 -13.137 1.00 0.00 C ATOM 1134 CE1 TYR A 72 9.209 4.473 -13.832 1.00 0.00 C ATOM 1135 CE2 TYR A 72 7.794 2.608 -13.336 1.00 0.00 C ATOM 1136 CZ TYR A 72 7.948 3.934 -13.683 1.00 0.00 C ATOM 1137 OH TYR A 72 6.838 4.723 -13.883 1.00 0.00 O ATOM 0 H TYR A 72 11.694 -0.229 -11.255 1.00 0.00 H new ATOM 0 HA TYR A 72 13.124 2.173 -11.970 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.103 1.620 -13.892 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.110 0.426 -13.081 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.306 4.102 -13.751 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.787 0.782 -12.865 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.327 5.512 -14.104 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.806 2.188 -13.221 1.00 0.00 H new ATOM 0 HH TYR A 72 6.045 4.155 -13.977 1.00 0.00 H new ATOM 1147 N ILE A 73 10.435 2.291 -10.108 1.00 0.00 N ATOM 1148 CA ILE A 73 9.618 3.160 -9.271 1.00 0.00 C ATOM 1149 C ILE A 73 10.341 3.513 -7.975 1.00 0.00 C ATOM 1150 O ILE A 73 10.134 4.586 -7.410 1.00 0.00 O ATOM 1151 CB ILE A 73 8.267 2.505 -8.929 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.469 1.348 -7.949 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.579 2.019 -10.196 1.00 0.00 C ATOM 1154 CD1 ILE A 73 8.279 1.743 -6.501 1.00 0.00 C ATOM 0 H ILE A 73 10.237 1.296 -10.003 1.00 0.00 H new ATOM 0 HA ILE A 73 9.437 4.070 -9.843 1.00 0.00 H new ATOM 0 HB ILE A 73 7.629 3.250 -8.454 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.770 0.549 -8.194 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.473 0.944 -8.078 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.625 1.558 -9.938 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.406 2.864 -10.863 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.213 1.286 -10.696 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.437 0.874 -5.863 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.996 2.521 -6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.266 2.119 -6.356 1.00 0.00 H new ATOM 1166 N GLU A 74 11.191 2.602 -7.511 1.00 0.00 N ATOM 1167 CA GLU A 74 11.946 2.819 -6.282 1.00 0.00 C ATOM 1168 C GLU A 74 13.157 3.711 -6.537 1.00 0.00 C ATOM 1169 O GLU A 74 13.574 4.475 -5.666 1.00 0.00 O ATOM 1170 CB GLU A 74 12.399 1.481 -5.693 1.00 0.00 C ATOM 1171 CG GLU A 74 11.263 0.656 -5.112 1.00 0.00 C ATOM 1172 CD GLU A 74 10.658 1.287 -3.873 1.00 0.00 C ATOM 1173 OE1 GLU A 74 11.403 1.952 -3.123 1.00 0.00 O ATOM 1174 OE2 GLU A 74 9.441 1.115 -3.653 1.00 0.00 O ATOM 0 H GLU A 74 11.374 1.708 -7.967 1.00 0.00 H new ATOM 0 HA GLU A 74 11.292 3.320 -5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.897 0.901 -6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.137 1.668 -4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.487 0.531 -5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.631 -0.340 -4.865 1.00 0.00 H new ATOM 1181 N LYS A 75 13.718 3.608 -7.737 1.00 0.00 N ATOM 1182 CA LYS A 75 14.881 4.405 -8.109 1.00 0.00 C ATOM 1183 C LYS A 75 14.481 5.848 -8.401 1.00 0.00 C ATOM 1184 O LYS A 75 15.183 6.785 -8.022 1.00 0.00 O ATOM 1185 CB LYS A 75 15.570 3.798 -9.333 1.00 0.00 C ATOM 1186 CG LYS A 75 14.782 3.966 -10.621 1.00 0.00 C ATOM 1187 CD LYS A 75 15.456 3.258 -11.784 1.00 0.00 C ATOM 1188 CE LYS A 75 16.848 3.814 -12.043 1.00 0.00 C ATOM 1189 NZ LYS A 75 17.913 2.883 -11.578 1.00 0.00 N ATOM 0 H LYS A 75 13.386 2.980 -8.469 1.00 0.00 H new ATOM 0 HA LYS A 75 15.576 4.402 -7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.550 4.260 -9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.738 2.736 -9.155 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.775 3.570 -10.487 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.679 5.027 -10.850 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.523 2.191 -11.572 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.846 3.368 -12.681 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.971 4.003 -13.109 1.00 0.00 H new ATOM 0 HE3 LYS A 75 16.956 4.772 -11.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 18.846 3.298 -11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.812 2.723 -10.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.826 1.977 -12.081 1.00 0.00 H new ATOM 1203 N ASN A 76 13.348 6.018 -9.075 1.00 0.00 N ATOM 1204 CA ASN A 76 12.855 7.348 -9.417 1.00 0.00 C ATOM 1205 C ASN A 76 11.879 7.854 -8.359 1.00 0.00 C ATOM 1206 O ASN A 76 12.213 8.728 -7.560 1.00 0.00 O ATOM 1207 CB ASN A 76 12.173 7.325 -10.786 1.00 0.00 C ATOM 1208 CG ASN A 76 13.090 6.812 -11.880 1.00 0.00 C ATOM 1209 OD1 ASN A 76 14.292 7.074 -11.871 1.00 0.00 O ATOM 1210 ND2 ASN A 76 12.523 6.076 -12.829 1.00 0.00 N ATOM 0 H ASN A 76 12.754 5.253 -9.395 1.00 0.00 H new ATOM 0 HA ASN A 76 13.707 8.026 -9.454 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.284 6.696 -10.736 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.837 8.331 -11.039 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.089 5.703 -13.591 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.522 5.884 -12.796 1.00 0.00 H new ATOM 1217 N ASN A 77 10.672 7.298 -8.360 1.00 0.00 N ATOM 1218 CA ASN A 77 9.648 7.693 -7.400 1.00 0.00 C ATOM 1219 C ASN A 77 9.948 7.120 -6.018 1.00 0.00 C ATOM 1220 O ASN A 77 9.289 6.184 -5.565 1.00 0.00 O ATOM 1221 CB ASN A 77 8.270 7.223 -7.871 1.00 0.00 C ATOM 1222 CG ASN A 77 7.509 8.309 -8.606 1.00 0.00 C ATOM 1223 OD1 ASN A 77 6.525 8.846 -8.096 1.00 0.00 O ATOM 1224 ND2 ASN A 77 7.961 8.637 -9.811 1.00 0.00 N ATOM 0 H ASN A 77 10.379 6.573 -9.015 1.00 0.00 H new ATOM 0 HA ASN A 77 9.650 8.781 -7.331 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.388 6.359 -8.525 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.688 6.894 -7.010 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.489 9.361 -10.353 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.780 8.165 -10.194 1.00 0.00 H new ATOM 1231 N LYS A 78 10.945 7.691 -5.351 1.00 0.00 N ATOM 1232 CA LYS A 78 11.333 7.240 -4.020 1.00 0.00 C ATOM 1233 C LYS A 78 10.603 8.036 -2.943 1.00 0.00 C ATOM 1234 O LYS A 78 11.203 8.450 -1.952 1.00 0.00 O ATOM 1235 CB LYS A 78 12.846 7.377 -3.833 1.00 0.00 C ATOM 1236 CG LYS A 78 13.373 8.767 -4.142 1.00 0.00 C ATOM 1237 CD LYS A 78 14.533 9.139 -3.233 1.00 0.00 C ATOM 1238 CE LYS A 78 14.239 10.406 -2.445 1.00 0.00 C ATOM 1239 NZ LYS A 78 14.196 11.608 -3.323 1.00 0.00 N ATOM 0 H LYS A 78 11.500 8.468 -5.711 1.00 0.00 H new ATOM 0 HA LYS A 78 11.055 6.190 -3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.101 7.121 -2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.350 6.655 -4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 78 13.696 8.812 -5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.571 9.495 -4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.734 8.319 -2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.434 9.281 -3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.285 10.299 -1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 78 15.003 10.543 -1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.993 12.451 -2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.114 11.725 -3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.450 11.489 -4.038 1.00 0.00 H new ATOM 1253 N GLN A 79 9.305 8.243 -3.143 1.00 0.00 N ATOM 1254 CA GLN A 79 8.494 8.988 -2.188 1.00 0.00 C ATOM 1255 C GLN A 79 8.633 8.406 -0.785 1.00 0.00 C ATOM 1256 O GLN A 79 8.164 7.300 -0.511 1.00 0.00 O ATOM 1257 CB GLN A 79 7.025 8.976 -2.615 1.00 0.00 C ATOM 1258 CG GLN A 79 6.738 9.843 -3.829 1.00 0.00 C ATOM 1259 CD GLN A 79 5.331 9.653 -4.363 1.00 0.00 C ATOM 1260 OE1 GLN A 79 4.538 10.593 -4.405 1.00 0.00 O ATOM 1261 NE2 GLN A 79 5.015 8.430 -4.774 1.00 0.00 N ATOM 0 H GLN A 79 8.793 7.905 -3.958 1.00 0.00 H new ATOM 0 HA GLN A 79 8.852 10.018 -2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 79 6.727 7.950 -2.833 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.410 9.317 -1.782 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.884 10.890 -3.565 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.456 9.609 -4.615 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.704 7.680 -4.721 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.083 8.241 -5.143 1.00 0.00 H new TER 1270 GLN A 79 HETATM 1271 P24 PNS A 137 1.689 -3.272 -32.109 1.00 0.00 P HETATM 1272 O25 PNS A 137 0.899 -2.153 -32.961 1.00 0.00 O HETATM 1273 O26 PNS A 137 3.069 -3.490 -32.594 1.00 0.00 O HETATM 1274 O27 PNS A 137 0.765 -4.591 -32.164 1.00 0.00 O HETATM 1275 C28 PNS A 137 1.310 -5.907 -32.029 1.00 0.00 C HETATM 1276 C29 PNS A 137 0.244 -7.004 -31.826 1.00 0.00 C HETATM 1277 C30 PNS A 137 -0.801 -6.899 -32.953 1.00 0.00 C HETATM 1278 C31 PNS A 137 -0.440 -6.747 -30.467 1.00 0.00 C HETATM 1279 C32 PNS A 137 0.978 -8.367 -31.824 1.00 0.00 C HETATM 1280 O33 PNS A 137 1.594 -8.621 -33.091 1.00 0.00 O HETATM 1281 C34 PNS A 137 0.112 -9.606 -31.481 1.00 0.00 C HETATM 1282 O35 PNS A 137 -1.110 -9.614 -31.656 1.00 0.00 O HETATM 1283 N36 PNS A 137 0.713 -10.702 -30.998 1.00 0.00 N HETATM 1284 C37 PNS A 137 2.161 -10.878 -30.772 1.00 0.00 C HETATM 1285 C38 PNS A 137 2.451 -12.368 -30.573 1.00 0.00 C HETATM 1286 C39 PNS A 137 3.969 -12.655 -30.592 1.00 0.00 C HETATM 1287 O40 PNS A 137 4.573 -12.564 -31.661 1.00 0.00 O HETATM 1288 N41 PNS A 137 4.591 -12.987 -29.453 1.00 0.00 N HETATM 1289 C42 PNS A 137 3.990 -13.144 -28.113 1.00 0.00 C HETATM 1290 C43 PNS A 137 5.077 -13.471 -27.088 1.00 0.00 C HETATM 1291 S44 PNS A 137 5.933 -15.061 -27.403 1.00 0.00 S HETATM 0 H432 PNS A 137 5.813 -12.667 -27.083 1.00 0.00 H new HETATM 0 H431 PNS A 137 4.630 -13.500 -26.094 1.00 0.00 H new HETATM 0 H422 PNS A 137 3.244 -13.939 -28.131 1.00 0.00 H new HETATM 0 H421 PNS A 137 3.473 -12.228 -27.828 1.00 0.00 H new HETATM 0 H382 PNS A 137 1.961 -12.944 -31.358 1.00 0.00 H new HETATM 0 H381 PNS A 137 2.029 -12.699 -29.624 1.00 0.00 H new HETATM 0 H372 PNS A 137 2.478 -10.311 -29.896 1.00 0.00 H new HETATM 0 H371 PNS A 137 2.725 -10.494 -31.622 1.00 0.00 H new HETATM 0 H313 PNS A 137 -1.201 -7.508 -30.293 1.00 0.00 H new HETATM 0 H312 PNS A 137 -0.907 -5.762 -30.475 1.00 0.00 H new HETATM 0 H311 PNS A 137 0.304 -6.790 -29.671 1.00 0.00 H new HETATM 0 H303 PNS A 137 -1.559 -7.670 -32.819 1.00 0.00 H new HETATM 0 H302 PNS A 137 -0.311 -7.035 -33.917 1.00 0.00 H new HETATM 0 H301 PNS A 137 -1.273 -5.917 -32.921 1.00 0.00 H new HETATM 0 H282 PNS A 137 1.998 -5.921 -31.183 1.00 0.00 H new HETATM 0 H281 PNS A 137 1.894 -6.141 -32.919 1.00 0.00 H new HETATM 0 H44 PNS A 137 6.837 -15.256 -26.489 1.00 0.00 H new HETATM 0 H41 PNS A 137 5.596 -13.150 -29.519 1.00 0.00 H new HETATM 0 H36 PNS A 137 0.111 -11.492 -30.764 1.00 0.00 H new HETATM 0 H33 PNS A 137 1.038 -9.242 -33.607 1.00 0.00 H new HETATM 0 H32 PNS A 137 1.706 -8.251 -31.021 1.00 0.00 H new