USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 TYR OH : rot -7:sc= -3.32! USER MOD Set 1.2: A 34 THR OG1 : rot 175:sc= 0.619 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -141:sc= -1.74 (180deg=-2.12!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 138:sc= -2.18! USER MOD Single : A 7 LYS NZ :NH3+ -156:sc= -7.21! (180deg=-8.87!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 143:sc= 0.0059 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -1.51 K(o=-1.5,f=0) USER MOD Single : A 22 GLN : amide:sc= -19.3! C(o=-19!,f=-15!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.61 USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= -2.33! (180deg=-3.75!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -3.08! X(o=-3.1!,f=-3.4) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0964 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 54:sc= 0.0317 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0302 X(o=-0.03,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -7.71! C(o=-7.7!,f=-6.8!) USER MOD Single : A 71 LYS NZ :NH3+ -148:sc= -0.07 (180deg=-0.629) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 93:sc= 0.093 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 4.378 13.098 4.007 1.00 0.00 N ATOM 2 CA MET A 0 5.768 13.631 4.098 1.00 0.00 C ATOM 3 C MET A 0 6.751 12.468 4.260 1.00 0.00 C ATOM 4 O MET A 0 7.948 12.643 4.156 1.00 0.00 O ATOM 5 CB MET A 0 5.882 14.563 5.306 1.00 0.00 C ATOM 6 CG MET A 0 5.640 16.008 4.867 1.00 0.00 C ATOM 7 SD MET A 0 6.477 17.130 6.014 1.00 0.00 S ATOM 8 CE MET A 0 5.033 18.125 6.457 1.00 0.00 C ATOM 0 H1 MET A 0 3.842 13.645 3.303 1.00 0.00 H new ATOM 0 H2 MET A 0 4.407 12.099 3.720 1.00 0.00 H new ATOM 0 H3 MET A 0 3.914 13.178 4.934 1.00 0.00 H new ATOM 0 HA MET A 0 6.003 14.184 3.189 1.00 0.00 H new ATOM 0 HB2 MET A 0 5.156 14.278 6.067 1.00 0.00 H new ATOM 0 HB3 MET A 0 6.870 14.470 5.757 1.00 0.00 H new ATOM 0 HG2 MET A 0 6.013 16.160 3.854 1.00 0.00 H new ATOM 0 HG3 MET A 0 4.571 16.220 4.848 1.00 0.00 H new ATOM 0 HE1 MET A 0 5.327 18.895 7.170 1.00 0.00 H new ATOM 0 HE2 MET A 0 4.627 18.596 5.562 1.00 0.00 H new ATOM 0 HE3 MET A 0 4.274 17.485 6.906 1.00 0.00 H new ATOM 18 N LYS A 1 6.252 11.284 4.523 1.00 0.00 N ATOM 19 CA LYS A 1 7.153 10.100 4.698 1.00 0.00 C ATOM 20 C LYS A 1 8.002 10.272 5.952 1.00 0.00 C ATOM 21 O LYS A 1 8.359 11.370 6.330 1.00 0.00 O ATOM 22 CB LYS A 1 8.060 9.969 3.466 1.00 0.00 C ATOM 23 CG LYS A 1 9.346 9.201 3.811 1.00 0.00 C ATOM 24 CD LYS A 1 10.473 10.186 4.133 1.00 0.00 C ATOM 25 CE LYS A 1 11.823 9.474 4.005 1.00 0.00 C ATOM 26 NZ LYS A 1 12.301 9.563 2.595 1.00 0.00 N ATOM 0 H LYS A 1 5.257 11.086 4.624 1.00 0.00 H new ATOM 0 HA LYS A 1 6.550 9.198 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 1 7.525 9.452 2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 1 8.313 10.960 3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 1 9.170 8.545 4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 1 9.635 8.565 2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 1 10.432 11.037 3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 1 10.351 10.578 5.143 1.00 0.00 H new ATOM 0 HE2 LYS A 1 12.551 9.929 4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 1 11.725 8.430 4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 13.218 9.080 2.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 11.609 9.109 1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 12.410 10.562 2.328 1.00 0.00 H new ATOM 40 N SER A 2 8.359 9.193 6.589 1.00 0.00 N ATOM 41 CA SER A 2 9.204 9.320 7.790 1.00 0.00 C ATOM 42 C SER A 2 10.605 8.859 7.394 1.00 0.00 C ATOM 43 O SER A 2 10.830 8.545 6.242 1.00 0.00 O ATOM 44 CB SER A 2 8.624 8.455 8.910 1.00 0.00 C ATOM 45 OG SER A 2 9.366 7.247 9.010 1.00 0.00 O ATOM 0 H SER A 2 8.102 8.241 6.328 1.00 0.00 H new ATOM 0 HA SER A 2 9.242 10.345 8.158 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.659 8.995 9.856 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.576 8.235 8.708 1.00 0.00 H new ATOM 0 HG SER A 2 9.517 7.033 9.954 1.00 0.00 H new ATOM 51 N PRO A 3 11.513 8.832 8.326 1.00 0.00 N ATOM 52 CA PRO A 3 12.889 8.411 8.028 1.00 0.00 C ATOM 53 C PRO A 3 12.897 7.070 7.281 1.00 0.00 C ATOM 54 O PRO A 3 13.876 6.725 6.653 1.00 0.00 O ATOM 55 CB PRO A 3 13.565 8.305 9.402 1.00 0.00 C ATOM 56 CG PRO A 3 12.603 8.939 10.440 1.00 0.00 C ATOM 57 CD PRO A 3 11.264 9.203 9.731 1.00 0.00 C ATOM 0 HA PRO A 3 13.412 9.111 7.376 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.767 7.263 9.651 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.524 8.824 9.400 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.461 8.271 11.289 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.019 9.868 10.831 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.461 8.606 10.163 1.00 0.00 H new ATOM 0 HD3 PRO A 3 10.967 10.248 9.819 1.00 0.00 H new ATOM 65 N GLU A 4 11.809 6.329 7.336 1.00 0.00 N ATOM 66 CA GLU A 4 11.720 5.010 6.634 1.00 0.00 C ATOM 67 C GLU A 4 10.793 4.120 7.447 1.00 0.00 C ATOM 68 O GLU A 4 11.209 3.118 7.995 1.00 0.00 O ATOM 69 CB GLU A 4 13.094 4.333 6.558 1.00 0.00 C ATOM 70 CG GLU A 4 13.732 4.331 7.947 1.00 0.00 C ATOM 71 CD GLU A 4 14.819 3.257 8.012 1.00 0.00 C ATOM 72 OE1 GLU A 4 15.525 3.095 7.031 1.00 0.00 O ATOM 73 OE2 GLU A 4 14.926 2.613 9.043 1.00 0.00 O ATOM 0 H GLU A 4 10.967 6.591 7.848 1.00 0.00 H new ATOM 0 HA GLU A 4 11.352 5.165 5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.990 3.312 6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.734 4.861 5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.161 5.310 8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.973 4.141 8.706 1.00 0.00 H new ATOM 80 N GLU A 5 9.547 4.484 7.572 1.00 0.00 N ATOM 81 CA GLU A 5 8.641 3.644 8.401 1.00 0.00 C ATOM 82 C GLU A 5 7.520 3.042 7.563 1.00 0.00 C ATOM 83 O GLU A 5 7.036 1.964 7.844 1.00 0.00 O ATOM 84 CB GLU A 5 8.031 4.510 9.488 1.00 0.00 C ATOM 85 CG GLU A 5 7.562 3.632 10.651 1.00 0.00 C ATOM 86 CD GLU A 5 6.116 3.985 11.004 1.00 0.00 C ATOM 87 OE1 GLU A 5 5.844 5.159 11.195 1.00 0.00 O ATOM 88 OE2 GLU A 5 5.305 3.077 11.075 1.00 0.00 O ATOM 0 H GLU A 5 9.124 5.309 7.146 1.00 0.00 H new ATOM 0 HA GLU A 5 9.223 2.829 8.832 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.764 5.236 9.841 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.190 5.076 9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.635 2.579 10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.206 3.782 11.517 1.00 0.00 H new ATOM 95 N LEU A 6 7.070 3.737 6.565 1.00 0.00 N ATOM 96 CA LEU A 6 5.952 3.223 5.752 1.00 0.00 C ATOM 97 C LEU A 6 6.408 2.246 4.665 1.00 0.00 C ATOM 98 O LEU A 6 5.655 1.386 4.248 1.00 0.00 O ATOM 99 CB LEU A 6 5.251 4.447 5.186 1.00 0.00 C ATOM 100 CG LEU A 6 4.888 4.330 3.715 1.00 0.00 C ATOM 101 CD1 LEU A 6 6.122 4.112 2.829 1.00 0.00 C ATOM 102 CD2 LEU A 6 3.874 3.203 3.508 1.00 0.00 C ATOM 0 H LEU A 6 7.434 4.646 6.278 1.00 0.00 H new ATOM 0 HA LEU A 6 5.269 2.631 6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.342 4.630 5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.894 5.316 5.322 1.00 0.00 H new ATOM 0 HG LEU A 6 4.439 5.276 3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.812 4.034 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.805 4.954 2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.626 3.193 3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.622 3.130 2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.304 2.260 3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.972 3.415 4.082 1.00 0.00 H new ATOM 114 N LYS A 7 7.600 2.389 4.157 1.00 0.00 N ATOM 115 CA LYS A 7 8.030 1.499 3.071 1.00 0.00 C ATOM 116 C LYS A 7 8.384 0.151 3.721 1.00 0.00 C ATOM 117 O LYS A 7 8.556 -0.856 3.071 1.00 0.00 O ATOM 118 CB LYS A 7 9.233 2.164 2.388 1.00 0.00 C ATOM 119 CG LYS A 7 9.023 2.213 0.862 1.00 0.00 C ATOM 120 CD LYS A 7 9.074 3.675 0.408 1.00 0.00 C ATOM 121 CE LYS A 7 10.509 4.197 0.537 1.00 0.00 C ATOM 122 NZ LYS A 7 10.485 5.634 0.928 1.00 0.00 N ATOM 0 H LYS A 7 8.285 3.084 4.453 1.00 0.00 H new ATOM 0 HA LYS A 7 7.267 1.327 2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.367 3.174 2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.143 1.610 2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.794 1.633 0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.064 1.768 0.598 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.736 3.759 -0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.399 4.280 1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.052 3.616 1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.037 4.076 -0.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.371 6.090 0.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.681 6.106 0.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.386 5.711 1.960 1.00 0.00 H new ATOM 136 N GLY A 8 8.450 0.124 5.030 1.00 0.00 N ATOM 137 CA GLY A 8 8.747 -1.149 5.736 1.00 0.00 C ATOM 138 C GLY A 8 7.479 -2.006 5.766 1.00 0.00 C ATOM 139 O GLY A 8 7.535 -3.211 5.913 1.00 0.00 O ATOM 0 H GLY A 8 8.310 0.933 5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.551 -1.683 5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.089 -0.946 6.751 1.00 0.00 H new ATOM 143 N ILE A 9 6.329 -1.394 5.618 1.00 0.00 N ATOM 144 CA ILE A 9 5.072 -2.162 5.624 1.00 0.00 C ATOM 145 C ILE A 9 5.197 -3.320 4.645 1.00 0.00 C ATOM 146 O ILE A 9 4.738 -4.400 4.883 1.00 0.00 O ATOM 147 CB ILE A 9 3.954 -1.233 5.200 1.00 0.00 C ATOM 148 CG1 ILE A 9 4.166 -0.778 3.762 1.00 0.00 C ATOM 149 CG2 ILE A 9 3.918 -0.010 6.119 1.00 0.00 C ATOM 150 CD1 ILE A 9 3.511 -1.773 2.803 1.00 0.00 C ATOM 0 H ILE A 9 6.220 -0.388 5.493 1.00 0.00 H new ATOM 0 HA ILE A 9 4.861 -2.562 6.616 1.00 0.00 H new ATOM 0 HB ILE A 9 3.008 -1.770 5.270 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.739 0.215 3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.232 -0.701 3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.112 0.655 5.809 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.748 -0.332 7.146 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.869 0.520 6.057 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.665 -1.443 1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.958 -2.758 2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.442 -1.828 3.010 1.00 0.00 H new ATOM 162 N PHE A 10 5.850 -3.095 3.556 1.00 0.00 N ATOM 163 CA PHE A 10 6.061 -4.179 2.553 1.00 0.00 C ATOM 164 C PHE A 10 6.325 -5.559 3.186 1.00 0.00 C ATOM 165 O PHE A 10 5.447 -6.385 3.271 1.00 0.00 O ATOM 166 CB PHE A 10 7.253 -3.803 1.693 1.00 0.00 C ATOM 167 CG PHE A 10 6.863 -3.587 0.274 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.571 -3.216 -0.112 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.828 -3.864 -0.678 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.265 -3.128 -1.475 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.534 -3.757 -2.013 1.00 0.00 C ATOM 172 CZ PHE A 10 6.260 -3.401 -2.425 1.00 0.00 C ATOM 0 H PHE A 10 6.257 -2.194 3.305 1.00 0.00 H new ATOM 0 HA PHE A 10 5.143 -4.268 1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.713 -2.896 2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.004 -4.591 1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.819 -3.000 0.632 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.818 -4.166 -0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.270 -2.852 -1.793 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.301 -3.952 -2.748 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.033 -3.334 -3.479 1.00 0.00 H new ATOM 182 N GLU A 11 7.530 -5.836 3.586 1.00 0.00 N ATOM 183 CA GLU A 11 7.849 -7.187 4.172 1.00 0.00 C ATOM 184 C GLU A 11 6.749 -7.631 5.151 1.00 0.00 C ATOM 185 O GLU A 11 6.634 -8.785 5.504 1.00 0.00 O ATOM 186 CB GLU A 11 9.189 -7.119 4.906 1.00 0.00 C ATOM 187 CG GLU A 11 10.253 -6.544 3.967 1.00 0.00 C ATOM 188 CD GLU A 11 11.581 -7.269 4.193 1.00 0.00 C ATOM 189 OE1 GLU A 11 11.657 -8.443 3.868 1.00 0.00 O ATOM 190 OE2 GLU A 11 12.502 -6.638 4.686 1.00 0.00 O ATOM 0 H GLU A 11 8.318 -5.191 3.537 1.00 0.00 H new ATOM 0 HA GLU A 11 7.906 -7.914 3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.098 -6.496 5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.483 -8.113 5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.937 -6.657 2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.374 -5.476 4.149 1.00 0.00 H new ATOM 197 N LYS A 12 5.946 -6.722 5.581 1.00 0.00 N ATOM 198 CA LYS A 12 4.829 -7.063 6.515 1.00 0.00 C ATOM 199 C LYS A 12 3.602 -7.478 5.698 1.00 0.00 C ATOM 200 O LYS A 12 3.234 -8.635 5.636 1.00 0.00 O ATOM 201 CB LYS A 12 4.486 -5.859 7.396 1.00 0.00 C ATOM 202 CG LYS A 12 3.271 -6.194 8.264 1.00 0.00 C ATOM 203 CD LYS A 12 3.739 -6.647 9.648 1.00 0.00 C ATOM 204 CE LYS A 12 3.205 -5.682 10.707 1.00 0.00 C ATOM 205 NZ LYS A 12 4.305 -5.310 11.638 1.00 0.00 N ATOM 0 H LYS A 12 6.006 -5.736 5.329 1.00 0.00 H new ATOM 0 HA LYS A 12 5.137 -7.886 7.160 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.337 -5.601 8.026 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.274 -4.989 6.775 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.625 -5.321 8.355 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.681 -6.980 7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.385 -7.658 9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.828 -6.677 9.684 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.800 -4.789 10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.388 -6.147 11.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.943 -4.654 12.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.671 -6.166 12.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.071 -4.850 11.105 1.00 0.00 H new ATOM 219 N TYR A 13 2.970 -6.518 5.068 1.00 0.00 N ATOM 220 CA TYR A 13 1.768 -6.795 4.241 1.00 0.00 C ATOM 221 C TYR A 13 2.215 -7.375 2.900 1.00 0.00 C ATOM 222 O TYR A 13 1.679 -8.353 2.430 1.00 0.00 O ATOM 223 CB TYR A 13 1.007 -5.487 3.991 1.00 0.00 C ATOM 224 CG TYR A 13 0.933 -4.681 5.269 1.00 0.00 C ATOM 225 CD1 TYR A 13 1.944 -3.766 5.592 1.00 0.00 C ATOM 226 CD2 TYR A 13 -0.155 -4.849 6.130 1.00 0.00 C ATOM 227 CE1 TYR A 13 1.864 -3.026 6.779 1.00 0.00 C ATOM 228 CE2 TYR A 13 -0.235 -4.108 7.314 1.00 0.00 C ATOM 229 CZ TYR A 13 0.774 -3.198 7.640 1.00 0.00 C ATOM 230 OH TYR A 13 0.696 -2.469 8.809 1.00 0.00 O ATOM 0 H TYR A 13 3.247 -5.537 5.097 1.00 0.00 H new ATOM 0 HA TYR A 13 1.119 -7.501 4.759 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.507 -4.908 3.214 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.002 -5.704 3.629 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.784 -3.631 4.927 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.936 -5.552 5.881 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.644 -2.322 7.030 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.078 -4.239 7.977 1.00 0.00 H new ATOM 0 HH TYR A 13 1.528 -1.968 8.938 1.00 0.00 H new ATOM 240 N ALA A 14 3.202 -6.793 2.276 1.00 0.00 N ATOM 241 CA ALA A 14 3.665 -7.356 0.982 1.00 0.00 C ATOM 242 C ALA A 14 4.160 -8.784 1.226 1.00 0.00 C ATOM 243 O ALA A 14 4.268 -9.575 0.314 1.00 0.00 O ATOM 244 CB ALA A 14 4.830 -6.511 0.420 1.00 0.00 C ATOM 0 H ALA A 14 3.700 -5.965 2.602 1.00 0.00 H new ATOM 0 HA ALA A 14 2.843 -7.349 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.161 -6.933 -0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.494 -5.486 0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.658 -6.517 1.128 1.00 0.00 H new ATOM 250 N ASP A 15 4.492 -9.113 2.457 1.00 0.00 N ATOM 251 CA ASP A 15 5.022 -10.477 2.751 1.00 0.00 C ATOM 252 C ASP A 15 4.007 -11.281 3.561 1.00 0.00 C ATOM 253 O ASP A 15 4.208 -12.449 3.833 1.00 0.00 O ATOM 254 CB ASP A 15 6.300 -10.372 3.583 1.00 0.00 C ATOM 255 CG ASP A 15 7.344 -11.345 3.037 1.00 0.00 C ATOM 256 OD1 ASP A 15 6.956 -12.423 2.616 1.00 0.00 O ATOM 257 OD2 ASP A 15 8.514 -10.998 3.047 1.00 0.00 O ATOM 0 H ASP A 15 4.417 -8.494 3.264 1.00 0.00 H new ATOM 0 HA ASP A 15 5.221 -10.971 1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.685 -9.353 3.551 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.087 -10.599 4.627 1.00 0.00 H new ATOM 262 N LYS A 16 2.928 -10.672 3.970 1.00 0.00 N ATOM 263 CA LYS A 16 1.931 -11.410 4.776 1.00 0.00 C ATOM 264 C LYS A 16 1.328 -12.510 3.908 1.00 0.00 C ATOM 265 O LYS A 16 1.084 -13.612 4.360 1.00 0.00 O ATOM 266 CB LYS A 16 0.860 -10.427 5.255 1.00 0.00 C ATOM 267 CG LYS A 16 -0.019 -10.001 4.083 1.00 0.00 C ATOM 268 CD LYS A 16 -1.047 -11.085 3.809 1.00 0.00 C ATOM 269 CE LYS A 16 -2.456 -10.545 4.061 1.00 0.00 C ATOM 270 NZ LYS A 16 -3.433 -11.316 3.241 1.00 0.00 N ATOM 0 H LYS A 16 2.699 -9.697 3.778 1.00 0.00 H new ATOM 0 HA LYS A 16 2.391 -11.869 5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.249 -10.891 6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.332 -9.553 5.703 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.518 -9.059 4.311 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.593 -9.831 3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.959 -11.429 2.778 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.859 -11.947 4.450 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.706 -10.628 5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.504 -9.487 3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.313 -11.445 3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.637 -10.796 2.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.031 -12.246 3.006 1.00 0.00 H new ATOM 284 N GLU A 17 1.119 -12.227 2.655 1.00 0.00 N ATOM 285 CA GLU A 17 0.572 -13.265 1.741 1.00 0.00 C ATOM 286 C GLU A 17 1.749 -13.980 1.079 1.00 0.00 C ATOM 287 O GLU A 17 1.601 -15.024 0.475 1.00 0.00 O ATOM 288 CB GLU A 17 -0.296 -12.611 0.661 1.00 0.00 C ATOM 289 CG GLU A 17 0.526 -11.563 -0.088 1.00 0.00 C ATOM 290 CD GLU A 17 -0.252 -11.086 -1.315 1.00 0.00 C ATOM 291 OE1 GLU A 17 -1.404 -11.466 -1.447 1.00 0.00 O ATOM 292 OE2 GLU A 17 0.316 -10.346 -2.101 1.00 0.00 O ATOM 0 H GLU A 17 1.303 -11.321 2.224 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.041 -13.970 2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.661 -13.367 -0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.171 -12.146 1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.744 -10.720 0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.483 -11.986 -0.393 1.00 0.00 H new ATOM 299 N GLY A 18 2.920 -13.411 1.190 1.00 0.00 N ATOM 300 CA GLY A 18 4.123 -14.029 0.574 1.00 0.00 C ATOM 301 C GLY A 18 4.961 -12.922 -0.080 1.00 0.00 C ATOM 302 O GLY A 18 4.477 -11.834 -0.310 1.00 0.00 O ATOM 0 H GLY A 18 3.093 -12.537 1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.710 -14.551 1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.829 -14.770 -0.169 1.00 0.00 H new ATOM 306 N ASP A 19 6.206 -13.190 -0.387 1.00 0.00 N ATOM 307 CA ASP A 19 7.065 -12.161 -1.032 1.00 0.00 C ATOM 308 C ASP A 19 7.434 -11.056 -0.036 1.00 0.00 C ATOM 309 O ASP A 19 8.380 -11.182 0.715 1.00 0.00 O ATOM 310 CB ASP A 19 6.328 -11.578 -2.241 1.00 0.00 C ATOM 311 CG ASP A 19 7.256 -10.644 -3.019 1.00 0.00 C ATOM 312 OD1 ASP A 19 8.409 -10.999 -3.202 1.00 0.00 O ATOM 313 OD2 ASP A 19 6.796 -9.588 -3.419 1.00 0.00 O ATOM 0 H ASP A 19 6.663 -14.085 -0.215 1.00 0.00 H new ATOM 0 HA ASP A 19 7.993 -12.626 -1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.982 -12.383 -2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.444 -11.033 -1.910 1.00 0.00 H new ATOM 318 N GLY A 20 6.740 -9.958 -0.059 1.00 0.00 N ATOM 319 CA GLY A 20 7.096 -8.823 0.850 1.00 0.00 C ATOM 320 C GLY A 20 7.789 -7.772 -0.001 1.00 0.00 C ATOM 321 O GLY A 20 8.185 -6.725 0.471 1.00 0.00 O ATOM 0 H GLY A 20 5.938 -9.790 -0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.203 -8.411 1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.751 -9.163 1.652 1.00 0.00 H new ATOM 325 N ASN A 21 7.933 -8.052 -1.272 1.00 0.00 N ATOM 326 CA ASN A 21 8.582 -7.103 -2.170 1.00 0.00 C ATOM 327 C ASN A 21 7.536 -6.453 -3.104 1.00 0.00 C ATOM 328 O ASN A 21 7.821 -5.487 -3.770 1.00 0.00 O ATOM 329 CB ASN A 21 9.636 -7.860 -2.973 1.00 0.00 C ATOM 330 CG ASN A 21 10.957 -7.863 -2.204 1.00 0.00 C ATOM 331 OD1 ASN A 21 12.011 -7.680 -2.780 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.941 -8.063 -0.916 1.00 0.00 N ATOM 0 H ASN A 21 7.617 -8.916 -1.713 1.00 0.00 H new ATOM 0 HA ASN A 21 9.057 -6.303 -1.602 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.306 -8.883 -3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.771 -7.392 -3.948 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.815 -8.066 -0.389 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.055 -8.216 -0.435 1.00 0.00 H new ATOM 339 N GLN A 22 6.326 -6.964 -3.139 1.00 0.00 N ATOM 340 CA GLN A 22 5.240 -6.354 -3.989 1.00 0.00 C ATOM 341 C GLN A 22 3.964 -6.285 -3.135 1.00 0.00 C ATOM 342 O GLN A 22 3.844 -6.959 -2.132 1.00 0.00 O ATOM 343 CB GLN A 22 4.935 -7.176 -5.263 1.00 0.00 C ATOM 344 CG GLN A 22 6.182 -7.843 -5.845 1.00 0.00 C ATOM 345 CD GLN A 22 7.303 -6.859 -5.799 1.00 0.00 C ATOM 346 OE1 GLN A 22 8.449 -7.202 -5.587 1.00 0.00 O ATOM 347 NE2 GLN A 22 7.006 -5.631 -5.994 1.00 0.00 N ATOM 0 H GLN A 22 6.038 -7.787 -2.610 1.00 0.00 H new ATOM 0 HA GLN A 22 5.579 -5.371 -4.315 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.194 -7.941 -5.029 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.492 -6.523 -6.015 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.437 -8.736 -5.274 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.998 -8.162 -6.871 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.038 -5.362 -6.171 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.737 -4.920 -5.973 1.00 0.00 H new ATOM 356 N LEU A 23 3.024 -5.451 -3.501 1.00 0.00 N ATOM 357 CA LEU A 23 1.779 -5.318 -2.684 1.00 0.00 C ATOM 358 C LEU A 23 0.519 -5.620 -3.508 1.00 0.00 C ATOM 359 O LEU A 23 0.584 -6.052 -4.638 1.00 0.00 O ATOM 360 CB LEU A 23 1.708 -3.882 -2.171 1.00 0.00 C ATOM 361 CG LEU A 23 2.238 -3.855 -0.749 1.00 0.00 C ATOM 362 CD1 LEU A 23 2.254 -2.418 -0.227 1.00 0.00 C ATOM 363 CD2 LEU A 23 1.346 -4.717 0.142 1.00 0.00 C ATOM 0 H LEU A 23 3.064 -4.857 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 23 1.817 -6.036 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.297 -3.222 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.681 -3.519 -2.200 1.00 0.00 H new ATOM 0 HG LEU A 23 3.254 -4.249 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.635 -2.406 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.896 -1.808 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.241 -2.015 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.726 -4.698 1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.329 -4.326 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.346 -5.743 -0.227 1.00 0.00 H new ATOM 375 N SER A 24 -0.635 -5.393 -2.928 1.00 0.00 N ATOM 376 CA SER A 24 -1.899 -5.631 -3.616 1.00 0.00 C ATOM 377 C SER A 24 -2.977 -4.823 -2.879 1.00 0.00 C ATOM 378 O SER A 24 -2.697 -4.152 -1.906 1.00 0.00 O ATOM 379 CB SER A 24 -2.222 -7.118 -3.563 1.00 0.00 C ATOM 380 OG SER A 24 -1.035 -7.844 -3.268 1.00 0.00 O ATOM 0 H SER A 24 -0.734 -5.042 -1.976 1.00 0.00 H new ATOM 0 HA SER A 24 -1.849 -5.327 -4.661 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.979 -7.311 -2.803 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.636 -7.447 -4.516 1.00 0.00 H new ATOM 0 HG SER A 24 -1.238 -8.802 -3.231 1.00 0.00 H new ATOM 386 N LYS A 25 -4.194 -4.872 -3.325 1.00 0.00 N ATOM 387 CA LYS A 25 -5.273 -4.099 -2.639 1.00 0.00 C ATOM 388 C LYS A 25 -5.683 -4.805 -1.351 1.00 0.00 C ATOM 389 O LYS A 25 -6.196 -4.194 -0.436 1.00 0.00 O ATOM 390 CB LYS A 25 -6.485 -3.984 -3.552 1.00 0.00 C ATOM 391 CG LYS A 25 -7.259 -2.714 -3.191 1.00 0.00 C ATOM 392 CD LYS A 25 -7.375 -1.804 -4.416 1.00 0.00 C ATOM 393 CE LYS A 25 -6.200 -0.835 -4.436 1.00 0.00 C ATOM 394 NZ LYS A 25 -6.615 0.452 -3.810 1.00 0.00 N ATOM 0 H LYS A 25 -4.496 -5.413 -4.136 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.896 -3.104 -2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.169 -3.950 -4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.125 -4.860 -3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.253 -2.975 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.752 -2.187 -2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.384 -2.401 -5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.315 -1.253 -4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.354 -1.260 -3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.871 -0.665 -5.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.780 0.934 -3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.063 1.058 -4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.293 0.263 -3.044 1.00 0.00 H new ATOM 408 N GLU A 26 -5.459 -6.082 -1.271 1.00 0.00 N ATOM 409 CA GLU A 26 -5.834 -6.824 -0.039 1.00 0.00 C ATOM 410 C GLU A 26 -4.753 -6.612 1.021 1.00 0.00 C ATOM 411 O GLU A 26 -4.889 -7.024 2.156 1.00 0.00 O ATOM 412 CB GLU A 26 -5.963 -8.314 -0.363 1.00 0.00 C ATOM 413 CG GLU A 26 -6.890 -8.495 -1.568 1.00 0.00 C ATOM 414 CD GLU A 26 -7.420 -9.929 -1.597 1.00 0.00 C ATOM 415 OE1 GLU A 26 -7.020 -10.705 -0.745 1.00 0.00 O ATOM 416 OE2 GLU A 26 -8.219 -10.228 -2.470 1.00 0.00 O ATOM 0 H GLU A 26 -5.032 -6.646 -2.006 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.788 -6.458 0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.982 -8.737 -0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.359 -8.852 0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.720 -7.791 -1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.351 -8.277 -2.490 1.00 0.00 H new ATOM 423 N GLU A 27 -3.676 -5.967 0.656 1.00 0.00 N ATOM 424 CA GLU A 27 -2.585 -5.725 1.639 1.00 0.00 C ATOM 425 C GLU A 27 -2.395 -4.220 1.836 1.00 0.00 C ATOM 426 O GLU A 27 -1.612 -3.787 2.658 1.00 0.00 O ATOM 427 CB GLU A 27 -1.285 -6.339 1.120 1.00 0.00 C ATOM 428 CG GLU A 27 -1.595 -7.569 0.263 1.00 0.00 C ATOM 429 CD GLU A 27 -2.226 -8.657 1.134 1.00 0.00 C ATOM 430 OE1 GLU A 27 -1.513 -9.232 1.939 1.00 0.00 O ATOM 431 OE2 GLU A 27 -3.412 -8.897 0.980 1.00 0.00 O ATOM 0 H GLU A 27 -3.507 -5.599 -0.280 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.849 -6.184 2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.735 -5.604 0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.646 -6.620 1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.273 -7.299 -0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.681 -7.943 -0.198 1.00 0.00 H new ATOM 438 N LEU A 28 -3.128 -3.414 1.116 1.00 0.00 N ATOM 439 CA LEU A 28 -3.018 -1.953 1.284 1.00 0.00 C ATOM 440 C LEU A 28 -4.044 -1.599 2.358 1.00 0.00 C ATOM 441 O LEU A 28 -3.796 -0.832 3.267 1.00 0.00 O ATOM 442 CB LEU A 28 -3.321 -1.300 -0.068 1.00 0.00 C ATOM 443 CG LEU A 28 -4.091 -0.006 0.124 1.00 0.00 C ATOM 444 CD1 LEU A 28 -3.246 0.981 0.933 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.411 0.601 -1.244 1.00 0.00 C ATOM 0 H LEU A 28 -3.803 -3.717 0.414 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.031 -1.606 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.390 -1.100 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.900 -1.985 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.018 -0.212 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.801 1.909 1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.016 0.550 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.318 1.188 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.964 1.531 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.483 0.805 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.014 -0.100 -1.821 1.00 0.00 H new ATOM 457 N LYS A 29 -5.172 -2.242 2.276 1.00 0.00 N ATOM 458 CA LYS A 29 -6.225 -2.105 3.259 1.00 0.00 C ATOM 459 C LYS A 29 -5.606 -2.271 4.643 1.00 0.00 C ATOM 460 O LYS A 29 -5.849 -1.501 5.547 1.00 0.00 O ATOM 461 CB LYS A 29 -7.163 -3.245 2.979 1.00 0.00 C ATOM 462 CG LYS A 29 -8.310 -3.134 3.932 1.00 0.00 C ATOM 463 CD LYS A 29 -9.501 -3.879 3.356 1.00 0.00 C ATOM 464 CE LYS A 29 -10.601 -4.027 4.434 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.841 -3.346 3.967 1.00 0.00 N ATOM 0 H LYS A 29 -5.397 -2.886 1.518 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.735 -1.142 3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.517 -3.205 1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.653 -4.200 3.104 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.037 -3.552 4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.564 -2.087 4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.895 -3.341 2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.190 -4.863 3.004 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.801 -5.082 4.624 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.265 -3.591 5.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.583 -3.443 4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.644 -2.338 3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.163 -3.781 3.079 1.00 0.00 H new ATOM 479 N LEU A 30 -4.782 -3.273 4.801 1.00 0.00 N ATOM 480 CA LEU A 30 -4.110 -3.483 6.111 1.00 0.00 C ATOM 481 C LEU A 30 -3.171 -2.300 6.340 1.00 0.00 C ATOM 482 O LEU A 30 -2.982 -1.839 7.449 1.00 0.00 O ATOM 483 CB LEU A 30 -3.294 -4.777 6.070 1.00 0.00 C ATOM 484 CG LEU A 30 -4.220 -5.979 6.259 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.982 -5.837 7.578 1.00 0.00 C ATOM 486 CD2 LEU A 30 -5.216 -6.043 5.100 1.00 0.00 C ATOM 0 H LEU A 30 -4.547 -3.953 4.078 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.846 -3.557 6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.769 -4.857 5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.535 -4.764 6.852 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.626 -6.893 6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.642 -6.694 7.711 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.273 -5.793 8.405 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.575 -4.923 7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.876 -6.900 5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.808 -5.128 5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.674 -6.147 4.160 1.00 0.00 H new ATOM 498 N LEU A 31 -2.591 -1.806 5.280 1.00 0.00 N ATOM 499 CA LEU A 31 -1.666 -0.645 5.384 1.00 0.00 C ATOM 500 C LEU A 31 -2.339 0.471 6.183 1.00 0.00 C ATOM 501 O LEU A 31 -2.015 0.697 7.332 1.00 0.00 O ATOM 502 CB LEU A 31 -1.336 -0.142 3.976 1.00 0.00 C ATOM 503 CG LEU A 31 0.092 0.397 3.939 1.00 0.00 C ATOM 504 CD1 LEU A 31 0.393 0.915 2.533 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.236 1.543 4.941 1.00 0.00 C ATOM 0 H LEU A 31 -2.722 -2.164 4.334 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.749 -0.947 5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.447 -0.952 3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.037 0.641 3.686 1.00 0.00 H new ATOM 0 HG LEU A 31 0.789 -0.399 4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.411 1.302 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.289 0.101 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.307 1.712 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.256 1.925 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.459 2.342 4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.013 1.179 5.944 1.00 0.00 H new ATOM 517 N LEU A 32 -3.265 1.183 5.593 1.00 0.00 N ATOM 518 CA LEU A 32 -3.929 2.270 6.329 1.00 0.00 C ATOM 519 C LEU A 32 -4.767 1.726 7.496 1.00 0.00 C ATOM 520 O LEU A 32 -5.094 2.442 8.403 1.00 0.00 O ATOM 521 CB LEU A 32 -4.782 3.077 5.351 1.00 0.00 C ATOM 522 CG LEU A 32 -6.006 2.293 4.875 1.00 0.00 C ATOM 523 CD1 LEU A 32 -5.659 0.871 4.458 1.00 0.00 C ATOM 524 CD2 LEU A 32 -7.045 2.268 5.993 1.00 0.00 C ATOM 0 H LEU A 32 -3.582 1.049 4.633 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.175 2.923 6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.107 4.000 5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.176 3.361 4.490 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.404 2.795 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.562 0.358 4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.938 0.897 3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.228 0.338 5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.922 1.711 5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.620 1.787 6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.336 3.288 6.242 1.00 0.00 H new ATOM 536 N GLN A 33 -5.114 0.478 7.504 1.00 0.00 N ATOM 537 CA GLN A 33 -5.913 -0.052 8.649 1.00 0.00 C ATOM 538 C GLN A 33 -4.974 -0.399 9.801 1.00 0.00 C ATOM 539 O GLN A 33 -5.402 -0.641 10.913 1.00 0.00 O ATOM 540 CB GLN A 33 -6.695 -1.287 8.200 1.00 0.00 C ATOM 541 CG GLN A 33 -7.908 -0.840 7.384 1.00 0.00 C ATOM 542 CD GLN A 33 -9.137 -1.652 7.807 1.00 0.00 C ATOM 543 OE1 GLN A 33 -9.319 -1.923 8.977 1.00 0.00 O ATOM 544 NE2 GLN A 33 -9.994 -2.060 6.907 1.00 0.00 N ATOM 0 H GLN A 33 -4.885 -0.200 6.777 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.622 0.703 8.988 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.058 -1.938 7.601 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.017 -1.864 9.067 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.091 0.223 7.538 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.715 -0.980 6.320 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.846 -1.835 5.923 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.810 -2.603 7.189 1.00 0.00 H new ATOM 553 N THR A 34 -3.696 -0.402 9.552 1.00 0.00 N ATOM 554 CA THR A 34 -2.733 -0.705 10.641 1.00 0.00 C ATOM 555 C THR A 34 -2.463 0.592 11.399 1.00 0.00 C ATOM 556 O THR A 34 -2.082 0.587 12.553 1.00 0.00 O ATOM 557 CB THR A 34 -1.430 -1.248 10.040 1.00 0.00 C ATOM 558 OG1 THR A 34 -0.659 -1.866 11.062 1.00 0.00 O ATOM 559 CG2 THR A 34 -0.632 -0.101 9.417 1.00 0.00 C ATOM 0 H THR A 34 -3.278 -0.208 8.642 1.00 0.00 H new ATOM 0 HA THR A 34 -3.139 -1.458 11.317 1.00 0.00 H new ATOM 0 HB THR A 34 -1.665 -1.981 9.269 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.130 -2.290 10.665 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.293 -0.490 8.991 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.224 0.369 8.631 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.396 0.637 10.184 1.00 0.00 H new ATOM 567 N GLU A 35 -2.665 1.708 10.747 1.00 0.00 N ATOM 568 CA GLU A 35 -2.429 3.016 11.413 1.00 0.00 C ATOM 569 C GLU A 35 -3.693 3.891 11.339 1.00 0.00 C ATOM 570 O GLU A 35 -4.120 4.447 12.330 1.00 0.00 O ATOM 571 CB GLU A 35 -1.265 3.734 10.722 1.00 0.00 C ATOM 572 CG GLU A 35 -0.220 2.708 10.277 1.00 0.00 C ATOM 573 CD GLU A 35 1.175 3.329 10.357 1.00 0.00 C ATOM 574 OE1 GLU A 35 1.724 3.371 11.447 1.00 0.00 O ATOM 575 OE2 GLU A 35 1.673 3.753 9.328 1.00 0.00 O ATOM 0 H GLU A 35 -2.984 1.766 9.780 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.185 2.842 12.461 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.630 4.294 9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.814 4.456 11.403 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.272 1.823 10.911 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.426 2.383 9.257 1.00 0.00 H new ATOM 582 N PHE A 36 -4.285 4.042 10.175 1.00 0.00 N ATOM 583 CA PHE A 36 -5.506 4.918 10.077 1.00 0.00 C ATOM 584 C PHE A 36 -6.596 4.235 9.225 1.00 0.00 C ATOM 585 O PHE A 36 -6.919 4.707 8.153 1.00 0.00 O ATOM 586 CB PHE A 36 -5.132 6.237 9.382 1.00 0.00 C ATOM 587 CG PHE A 36 -3.631 6.408 9.362 1.00 0.00 C ATOM 588 CD1 PHE A 36 -2.921 6.597 10.552 1.00 0.00 C ATOM 589 CD2 PHE A 36 -2.951 6.356 8.139 1.00 0.00 C ATOM 590 CE1 PHE A 36 -1.526 6.739 10.518 1.00 0.00 C ATOM 591 CE2 PHE A 36 -1.560 6.495 8.103 1.00 0.00 C ATOM 592 CZ PHE A 36 -0.846 6.686 9.290 1.00 0.00 C ATOM 0 H PHE A 36 -3.985 3.607 9.303 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.879 5.097 11.085 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.520 6.243 8.363 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.594 7.075 9.903 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.446 6.634 11.495 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.502 6.208 7.222 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.975 6.889 11.435 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.037 6.455 7.159 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.228 6.793 9.263 1.00 0.00 H new ATOM 602 N PRO A 37 -7.125 3.144 9.717 1.00 0.00 N ATOM 603 CA PRO A 37 -8.168 2.381 9.003 1.00 0.00 C ATOM 604 C PRO A 37 -9.336 3.268 8.560 1.00 0.00 C ATOM 605 O PRO A 37 -10.015 2.965 7.600 1.00 0.00 O ATOM 606 CB PRO A 37 -8.634 1.322 10.013 1.00 0.00 C ATOM 607 CG PRO A 37 -7.689 1.397 11.239 1.00 0.00 C ATOM 608 CD PRO A 37 -6.733 2.579 11.015 1.00 0.00 C ATOM 0 HA PRO A 37 -7.780 1.943 8.083 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.666 1.506 10.313 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.604 0.328 9.567 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.261 1.536 12.156 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.130 0.468 11.349 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.825 3.318 11.811 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.694 2.250 11.005 1.00 0.00 H new ATOM 616 N SER A 38 -9.593 4.346 9.243 1.00 0.00 N ATOM 617 CA SER A 38 -10.737 5.214 8.838 1.00 0.00 C ATOM 618 C SER A 38 -10.343 6.140 7.678 1.00 0.00 C ATOM 619 O SER A 38 -11.180 6.547 6.896 1.00 0.00 O ATOM 620 CB SER A 38 -11.184 6.060 10.031 1.00 0.00 C ATOM 621 OG SER A 38 -10.107 6.187 10.948 1.00 0.00 O ATOM 0 H SER A 38 -9.067 4.664 10.057 1.00 0.00 H new ATOM 0 HA SER A 38 -11.554 4.572 8.507 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.506 7.045 9.692 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.040 5.595 10.520 1.00 0.00 H new ATOM 0 HG SER A 38 -10.391 6.730 11.713 1.00 0.00 H new ATOM 627 N LEU A 39 -9.093 6.498 7.566 1.00 0.00 N ATOM 628 CA LEU A 39 -8.685 7.420 6.462 1.00 0.00 C ATOM 629 C LEU A 39 -9.063 6.830 5.108 1.00 0.00 C ATOM 630 O LEU A 39 -9.169 7.534 4.123 1.00 0.00 O ATOM 631 CB LEU A 39 -7.176 7.661 6.506 1.00 0.00 C ATOM 632 CG LEU A 39 -6.804 8.314 7.835 1.00 0.00 C ATOM 633 CD1 LEU A 39 -5.362 8.821 7.764 1.00 0.00 C ATOM 634 CD2 LEU A 39 -7.747 9.490 8.106 1.00 0.00 C ATOM 0 H LEU A 39 -8.340 6.196 8.185 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.207 8.367 6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.643 6.717 6.390 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.875 8.301 5.677 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.894 7.584 8.639 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.093 9.288 8.712 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.691 7.984 7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.273 9.553 6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.483 9.957 9.055 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.656 10.222 7.303 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.774 9.129 8.153 1.00 0.00 H new ATOM 646 N LEU A 40 -9.259 5.552 5.048 1.00 0.00 N ATOM 647 CA LEU A 40 -9.624 4.916 3.755 1.00 0.00 C ATOM 648 C LEU A 40 -10.682 5.768 3.041 1.00 0.00 C ATOM 649 O LEU A 40 -10.473 6.230 1.937 1.00 0.00 O ATOM 650 CB LEU A 40 -10.175 3.512 4.014 1.00 0.00 C ATOM 651 CG LEU A 40 -9.214 2.474 3.424 1.00 0.00 C ATOM 652 CD1 LEU A 40 -9.856 1.087 3.475 1.00 0.00 C ATOM 653 CD2 LEU A 40 -8.903 2.841 1.971 1.00 0.00 C ATOM 0 H LEU A 40 -9.183 4.914 5.840 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.739 4.844 3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.294 3.347 5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.162 3.408 3.564 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.292 2.463 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.169 0.352 3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.077 0.826 4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.780 1.092 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.220 2.105 1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.827 2.853 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.441 3.827 1.936 1.00 0.00 H new ATOM 665 N LYS A 41 -11.814 5.979 3.658 1.00 0.00 N ATOM 666 CA LYS A 41 -12.874 6.800 3.006 1.00 0.00 C ATOM 667 C LYS A 41 -12.920 8.192 3.641 1.00 0.00 C ATOM 668 O LYS A 41 -13.919 8.593 4.206 1.00 0.00 O ATOM 669 CB LYS A 41 -14.230 6.119 3.194 1.00 0.00 C ATOM 670 CG LYS A 41 -14.429 5.780 4.674 1.00 0.00 C ATOM 671 CD LYS A 41 -15.627 6.557 5.212 1.00 0.00 C ATOM 672 CE LYS A 41 -15.453 6.791 6.714 1.00 0.00 C ATOM 673 NZ LYS A 41 -16.004 5.629 7.468 1.00 0.00 N ATOM 0 H LYS A 41 -12.050 5.619 4.583 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.650 6.894 1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.029 6.775 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.280 5.212 2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.591 4.709 4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.533 6.033 5.241 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.717 7.511 4.693 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.547 6.003 5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.398 6.924 6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.965 7.706 7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.885 5.789 8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.015 5.522 7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.497 4.764 7.192 1.00 0.00 H new ATOM 687 N GLY A 42 -11.851 8.935 3.554 1.00 0.00 N ATOM 688 CA GLY A 42 -11.846 10.301 4.153 1.00 0.00 C ATOM 689 C GLY A 42 -11.000 11.233 3.286 1.00 0.00 C ATOM 690 O GLY A 42 -11.493 11.868 2.375 1.00 0.00 O ATOM 0 H GLY A 42 -10.983 8.657 3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.865 10.681 4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.445 10.264 5.166 1.00 0.00 H new ATOM 694 N MET A 43 -9.726 11.318 3.558 1.00 0.00 N ATOM 695 CA MET A 43 -8.851 12.207 2.744 1.00 0.00 C ATOM 696 C MET A 43 -7.735 11.402 2.068 1.00 0.00 C ATOM 697 O MET A 43 -7.491 10.264 2.417 1.00 0.00 O ATOM 698 CB MET A 43 -8.242 13.293 3.634 1.00 0.00 C ATOM 699 CG MET A 43 -8.942 14.610 3.338 1.00 0.00 C ATOM 700 SD MET A 43 -10.062 15.026 4.697 1.00 0.00 S ATOM 701 CE MET A 43 -8.905 16.044 5.644 1.00 0.00 C ATOM 0 H MET A 43 -9.255 10.811 4.307 1.00 0.00 H new ATOM 0 HA MET A 43 -9.459 12.673 1.968 1.00 0.00 H new ATOM 0 HB2 MET A 43 -8.359 13.030 4.685 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.172 13.382 3.444 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.205 15.402 3.206 1.00 0.00 H new ATOM 0 HG3 MET A 43 -9.500 14.534 2.405 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.397 16.413 6.544 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.039 15.445 5.924 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.581 16.888 5.035 1.00 0.00 H new ATOM 711 N SER A 44 -7.051 11.977 1.100 1.00 0.00 N ATOM 712 CA SER A 44 -5.968 11.238 0.417 1.00 0.00 C ATOM 713 C SER A 44 -6.433 9.807 0.138 1.00 0.00 C ATOM 714 O SER A 44 -5.832 8.850 0.584 1.00 0.00 O ATOM 715 CB SER A 44 -4.722 11.215 1.302 1.00 0.00 C ATOM 716 OG SER A 44 -5.112 11.234 2.669 1.00 0.00 O ATOM 0 H SER A 44 -7.207 12.927 0.763 1.00 0.00 H new ATOM 0 HA SER A 44 -5.726 11.732 -0.524 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.131 10.323 1.094 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.090 12.075 1.081 1.00 0.00 H new ATOM 0 HG SER A 44 -5.743 10.503 2.839 1.00 0.00 H new ATOM 722 N THR A 45 -7.509 9.660 -0.585 1.00 0.00 N ATOM 723 CA THR A 45 -8.034 8.298 -0.886 1.00 0.00 C ATOM 724 C THR A 45 -6.883 7.339 -1.192 1.00 0.00 C ATOM 725 O THR A 45 -5.902 7.698 -1.814 1.00 0.00 O ATOM 726 CB THR A 45 -8.963 8.364 -2.094 1.00 0.00 C ATOM 727 OG1 THR A 45 -9.122 7.063 -2.642 1.00 0.00 O ATOM 728 CG2 THR A 45 -8.356 9.291 -3.142 1.00 0.00 C ATOM 0 H THR A 45 -8.050 10.428 -0.982 1.00 0.00 H new ATOM 0 HA THR A 45 -8.580 7.935 -0.016 1.00 0.00 H new ATOM 0 HB THR A 45 -9.937 8.746 -1.788 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.720 7.105 -3.417 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.016 9.342 -4.008 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.234 10.288 -2.719 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.384 8.906 -3.449 1.00 0.00 H new ATOM 736 N LEU A 46 -7.004 6.119 -0.754 1.00 0.00 N ATOM 737 CA LEU A 46 -5.931 5.113 -1.006 1.00 0.00 C ATOM 738 C LEU A 46 -6.486 3.956 -1.850 1.00 0.00 C ATOM 739 O LEU A 46 -5.783 3.021 -2.172 1.00 0.00 O ATOM 740 CB LEU A 46 -5.431 4.562 0.327 1.00 0.00 C ATOM 741 CG LEU A 46 -3.943 4.874 0.485 1.00 0.00 C ATOM 742 CD1 LEU A 46 -3.187 4.419 -0.764 1.00 0.00 C ATOM 743 CD2 LEU A 46 -3.755 6.381 0.669 1.00 0.00 C ATOM 0 H LEU A 46 -7.805 5.770 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.112 5.592 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.995 5.003 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.594 3.485 0.371 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.555 4.347 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.126 4.643 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.319 3.345 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.576 4.944 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.694 6.604 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.146 6.906 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.291 6.709 1.560 1.00 0.00 H new ATOM 755 N ASP A 47 -7.739 4.013 -2.207 1.00 0.00 N ATOM 756 CA ASP A 47 -8.343 2.925 -3.025 1.00 0.00 C ATOM 757 C ASP A 47 -8.099 3.197 -4.503 1.00 0.00 C ATOM 758 O ASP A 47 -7.483 2.414 -5.200 1.00 0.00 O ATOM 759 CB ASP A 47 -9.837 2.887 -2.775 1.00 0.00 C ATOM 760 CG ASP A 47 -10.178 1.740 -1.824 1.00 0.00 C ATOM 761 OD1 ASP A 47 -9.605 1.697 -0.749 1.00 0.00 O ATOM 762 OD2 ASP A 47 -11.009 0.924 -2.186 1.00 0.00 O ATOM 0 H ASP A 47 -8.375 4.773 -1.965 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.890 1.973 -2.749 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.167 3.834 -2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.369 2.759 -3.718 1.00 0.00 H new ATOM 767 N GLU A 48 -8.563 4.315 -4.980 1.00 0.00 N ATOM 768 CA GLU A 48 -8.342 4.659 -6.408 1.00 0.00 C ATOM 769 C GLU A 48 -6.935 5.218 -6.541 1.00 0.00 C ATOM 770 O GLU A 48 -6.480 5.556 -7.616 1.00 0.00 O ATOM 771 CB GLU A 48 -9.353 5.713 -6.854 1.00 0.00 C ATOM 772 CG GLU A 48 -10.217 5.142 -7.976 1.00 0.00 C ATOM 773 CD GLU A 48 -11.506 5.956 -8.093 1.00 0.00 C ATOM 774 OE1 GLU A 48 -12.093 6.251 -7.064 1.00 0.00 O ATOM 775 OE2 GLU A 48 -11.885 6.271 -9.208 1.00 0.00 O ATOM 0 H GLU A 48 -9.086 5.006 -4.442 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.465 3.773 -7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.979 6.011 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.835 6.608 -7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.671 5.168 -8.919 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.452 4.097 -7.773 1.00 0.00 H new ATOM 782 N LEU A 49 -6.236 5.299 -5.445 1.00 0.00 N ATOM 783 CA LEU A 49 -4.850 5.810 -5.478 1.00 0.00 C ATOM 784 C LEU A 49 -3.953 4.675 -5.955 1.00 0.00 C ATOM 785 O LEU A 49 -2.849 4.879 -6.418 1.00 0.00 O ATOM 786 CB LEU A 49 -4.454 6.237 -4.066 1.00 0.00 C ATOM 787 CG LEU A 49 -3.718 7.578 -4.116 1.00 0.00 C ATOM 788 CD1 LEU A 49 -3.160 7.902 -2.729 1.00 0.00 C ATOM 789 CD2 LEU A 49 -2.565 7.491 -5.120 1.00 0.00 C ATOM 0 H LEU A 49 -6.574 5.029 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.755 6.666 -6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.342 6.323 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.816 5.478 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.410 8.362 -4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.635 8.857 -2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.979 7.963 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.468 7.118 -2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.041 8.446 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.872 6.708 -4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.960 7.257 -6.108 1.00 0.00 H new ATOM 801 N PHE A 50 -4.445 3.470 -5.851 1.00 0.00 N ATOM 802 CA PHE A 50 -3.660 2.292 -6.302 1.00 0.00 C ATOM 803 C PHE A 50 -3.817 2.141 -7.816 1.00 0.00 C ATOM 804 O PHE A 50 -2.886 1.808 -8.523 1.00 0.00 O ATOM 805 CB PHE A 50 -4.219 1.062 -5.605 1.00 0.00 C ATOM 806 CG PHE A 50 -3.380 -0.149 -5.932 1.00 0.00 C ATOM 807 CD1 PHE A 50 -3.377 -0.669 -7.233 1.00 0.00 C ATOM 808 CD2 PHE A 50 -2.610 -0.759 -4.934 1.00 0.00 C ATOM 809 CE1 PHE A 50 -2.605 -1.797 -7.535 1.00 0.00 C ATOM 810 CE2 PHE A 50 -1.837 -1.886 -5.236 1.00 0.00 C ATOM 811 CZ PHE A 50 -1.836 -2.405 -6.536 1.00 0.00 C ATOM 0 H PHE A 50 -5.366 3.253 -5.469 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.604 2.414 -6.061 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.235 1.222 -4.527 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.250 0.895 -5.918 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.971 -0.199 -8.003 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.613 -0.360 -3.931 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.603 -2.198 -8.538 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.242 -2.355 -4.467 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.241 -3.276 -6.769 1.00 0.00 H new ATOM 821 N GLU A 51 -5.001 2.381 -8.313 1.00 0.00 N ATOM 822 CA GLU A 51 -5.247 2.252 -9.776 1.00 0.00 C ATOM 823 C GLU A 51 -4.405 3.280 -10.529 1.00 0.00 C ATOM 824 O GLU A 51 -3.973 3.048 -11.640 1.00 0.00 O ATOM 825 CB GLU A 51 -6.728 2.503 -10.061 1.00 0.00 C ATOM 826 CG GLU A 51 -7.206 1.548 -11.154 1.00 0.00 C ATOM 827 CD GLU A 51 -7.789 0.291 -10.507 1.00 0.00 C ATOM 828 OE1 GLU A 51 -8.885 0.375 -9.977 1.00 0.00 O ATOM 829 OE2 GLU A 51 -7.127 -0.733 -10.550 1.00 0.00 O ATOM 0 H GLU A 51 -5.813 2.663 -7.763 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.973 1.249 -10.105 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.314 2.356 -9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.879 3.536 -10.374 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.959 2.034 -11.774 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.376 1.282 -11.809 1.00 0.00 H new ATOM 836 N GLU A 52 -4.166 4.415 -9.934 1.00 0.00 N ATOM 837 CA GLU A 52 -3.347 5.455 -10.617 1.00 0.00 C ATOM 838 C GLU A 52 -1.857 5.138 -10.449 1.00 0.00 C ATOM 839 O GLU A 52 -1.007 5.978 -10.667 1.00 0.00 O ATOM 840 CB GLU A 52 -3.653 6.824 -10.008 1.00 0.00 C ATOM 841 CG GLU A 52 -4.887 7.423 -10.688 1.00 0.00 C ATOM 842 CD GLU A 52 -4.563 8.834 -11.185 1.00 0.00 C ATOM 843 OE1 GLU A 52 -4.004 9.598 -10.416 1.00 0.00 O ATOM 844 OE2 GLU A 52 -4.881 9.126 -12.326 1.00 0.00 O ATOM 0 H GLU A 52 -4.502 4.668 -9.005 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.591 5.466 -11.679 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.827 6.726 -8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.798 7.488 -10.133 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.196 6.794 -11.523 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.721 7.456 -9.987 1.00 0.00 H new ATOM 851 N LEU A 53 -1.528 3.937 -10.055 1.00 0.00 N ATOM 852 CA LEU A 53 -0.096 3.581 -9.866 1.00 0.00 C ATOM 853 C LEU A 53 0.416 2.802 -11.089 1.00 0.00 C ATOM 854 O LEU A 53 0.678 3.377 -12.125 1.00 0.00 O ATOM 855 CB LEU A 53 0.043 2.730 -8.602 1.00 0.00 C ATOM 856 CG LEU A 53 -0.489 3.507 -7.394 1.00 0.00 C ATOM 857 CD1 LEU A 53 0.001 2.843 -6.109 1.00 0.00 C ATOM 858 CD2 LEU A 53 0.020 4.951 -7.438 1.00 0.00 C ATOM 0 H LEU A 53 -2.191 3.188 -9.856 1.00 0.00 H new ATOM 0 HA LEU A 53 0.498 4.489 -9.760 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.509 1.797 -8.718 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.088 2.465 -8.444 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.579 3.506 -7.420 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.376 3.394 -5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.361 1.816 -6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.091 2.844 -6.091 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.362 5.498 -6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.110 4.954 -7.415 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.325 5.431 -8.354 1.00 0.00 H new ATOM 870 N ASP A 54 0.566 1.505 -10.983 1.00 0.00 N ATOM 871 CA ASP A 54 1.065 0.717 -12.147 1.00 0.00 C ATOM 872 C ASP A 54 -0.118 0.205 -12.966 1.00 0.00 C ATOM 873 O ASP A 54 -0.006 -0.054 -14.148 1.00 0.00 O ATOM 874 CB ASP A 54 1.895 -0.467 -11.645 1.00 0.00 C ATOM 875 CG ASP A 54 2.895 -0.889 -12.723 1.00 0.00 C ATOM 876 OD1 ASP A 54 2.509 -0.927 -13.880 1.00 0.00 O ATOM 877 OD2 ASP A 54 4.031 -1.165 -12.374 1.00 0.00 O ATOM 0 H ASP A 54 0.365 0.961 -10.144 1.00 0.00 H new ATOM 0 HA ASP A 54 1.687 1.354 -12.775 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.424 -0.192 -10.732 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.241 -1.302 -11.395 1.00 0.00 H new ATOM 882 N LYS A 55 -1.253 0.076 -12.347 1.00 0.00 N ATOM 883 CA LYS A 55 -2.464 -0.400 -13.082 1.00 0.00 C ATOM 884 C LYS A 55 -2.189 -1.756 -13.736 1.00 0.00 C ATOM 885 O LYS A 55 -1.619 -1.830 -14.808 1.00 0.00 O ATOM 886 CB LYS A 55 -2.836 0.612 -14.177 1.00 0.00 C ATOM 887 CG LYS A 55 -2.262 1.991 -13.838 1.00 0.00 C ATOM 888 CD LYS A 55 -2.906 3.050 -14.739 1.00 0.00 C ATOM 889 CE LYS A 55 -2.283 2.975 -16.156 1.00 0.00 C ATOM 890 NZ LYS A 55 -2.050 4.356 -16.663 1.00 0.00 N ATOM 0 H LYS A 55 -1.400 0.279 -11.358 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.284 -0.500 -12.371 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.450 0.276 -15.140 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.920 0.674 -14.272 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.450 2.227 -12.791 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.181 1.990 -13.976 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.983 2.889 -14.795 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.754 4.043 -14.316 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.344 2.423 -16.124 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.948 2.435 -16.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.632 4.311 -17.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.955 4.867 -16.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.401 4.856 -16.023 1.00 0.00 H new ATOM 904 N ASN A 56 -2.603 -2.833 -13.119 1.00 0.00 N ATOM 905 CA ASN A 56 -2.375 -4.163 -13.729 1.00 0.00 C ATOM 906 C ASN A 56 -3.619 -5.017 -13.502 1.00 0.00 C ATOM 907 O ASN A 56 -4.495 -4.663 -12.739 1.00 0.00 O ATOM 908 CB ASN A 56 -1.168 -4.829 -13.068 1.00 0.00 C ATOM 909 CG ASN A 56 -0.163 -5.241 -14.142 1.00 0.00 C ATOM 910 OD1 ASN A 56 0.785 -4.531 -14.409 1.00 0.00 O ATOM 911 ND2 ASN A 56 -0.338 -6.365 -14.772 1.00 0.00 N ATOM 0 H ASN A 56 -3.087 -2.842 -12.221 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.182 -4.059 -14.797 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.701 -4.142 -12.362 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.487 -5.702 -12.499 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.323 -6.653 -15.494 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.136 -6.958 -14.544 1.00 0.00 H new ATOM 918 N GLY A 57 -3.701 -6.144 -14.144 1.00 0.00 N ATOM 919 CA GLY A 57 -4.884 -7.021 -13.945 1.00 0.00 C ATOM 920 C GLY A 57 -4.568 -8.010 -12.834 1.00 0.00 C ATOM 921 O GLY A 57 -5.164 -9.064 -12.729 1.00 0.00 O ATOM 0 H GLY A 57 -3.002 -6.496 -14.797 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.758 -6.425 -13.684 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.123 -7.551 -14.867 1.00 0.00 H new ATOM 925 N ASP A 58 -3.636 -7.665 -11.994 1.00 0.00 N ATOM 926 CA ASP A 58 -3.275 -8.568 -10.873 1.00 0.00 C ATOM 927 C ASP A 58 -3.494 -7.820 -9.563 1.00 0.00 C ATOM 928 O ASP A 58 -3.279 -8.345 -8.490 1.00 0.00 O ATOM 929 CB ASP A 58 -1.810 -8.980 -10.994 1.00 0.00 C ATOM 930 CG ASP A 58 -1.717 -10.497 -11.160 1.00 0.00 C ATOM 931 OD1 ASP A 58 -2.558 -11.187 -10.608 1.00 0.00 O ATOM 932 OD2 ASP A 58 -0.804 -10.944 -11.836 1.00 0.00 O ATOM 0 H ASP A 58 -3.108 -6.794 -12.037 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.894 -9.465 -10.900 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.351 -8.482 -11.848 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.259 -8.666 -10.107 1.00 0.00 H new ATOM 937 N GLY A 59 -3.923 -6.588 -9.647 1.00 0.00 N ATOM 938 CA GLY A 59 -4.156 -5.802 -8.413 1.00 0.00 C ATOM 939 C GLY A 59 -2.873 -5.782 -7.588 1.00 0.00 C ATOM 940 O GLY A 59 -2.895 -5.563 -6.394 1.00 0.00 O ATOM 0 H GLY A 59 -4.120 -6.097 -10.519 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.457 -4.785 -8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.969 -6.241 -7.835 1.00 0.00 H new ATOM 944 N GLU A 60 -1.753 -6.016 -8.215 1.00 0.00 N ATOM 945 CA GLU A 60 -0.473 -6.017 -7.459 1.00 0.00 C ATOM 946 C GLU A 60 0.359 -4.791 -7.831 1.00 0.00 C ATOM 947 O GLU A 60 0.294 -4.283 -8.933 1.00 0.00 O ATOM 948 CB GLU A 60 0.316 -7.284 -7.780 1.00 0.00 C ATOM 949 CG GLU A 60 1.721 -7.183 -7.182 1.00 0.00 C ATOM 950 CD GLU A 60 2.587 -8.320 -7.726 1.00 0.00 C ATOM 951 OE1 GLU A 60 2.581 -9.383 -7.128 1.00 0.00 O ATOM 952 OE2 GLU A 60 3.243 -8.108 -8.735 1.00 0.00 O ATOM 0 H GLU A 60 -1.671 -6.206 -9.214 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.695 -5.987 -6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.199 -8.156 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.379 -7.421 -8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.166 -6.220 -7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.670 -7.238 -6.095 1.00 0.00 H new ATOM 959 N VAL A 61 1.143 -4.327 -6.905 1.00 0.00 N ATOM 960 CA VAL A 61 2.006 -3.145 -7.150 1.00 0.00 C ATOM 961 C VAL A 61 3.449 -3.535 -6.806 1.00 0.00 C ATOM 962 O VAL A 61 3.822 -4.687 -6.919 1.00 0.00 O ATOM 963 CB VAL A 61 1.520 -1.988 -6.264 1.00 0.00 C ATOM 964 CG1 VAL A 61 2.081 -2.136 -4.847 1.00 0.00 C ATOM 965 CG2 VAL A 61 1.969 -0.652 -6.862 1.00 0.00 C ATOM 0 H VAL A 61 1.224 -4.726 -5.970 1.00 0.00 H new ATOM 0 HA VAL A 61 1.960 -2.824 -8.191 1.00 0.00 H new ATOM 0 HB VAL A 61 0.431 -2.013 -6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.730 -1.310 -4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.743 -3.080 -4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.170 -2.124 -4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.621 0.165 -6.229 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.057 -0.627 -6.921 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.548 -0.541 -7.861 1.00 0.00 H new ATOM 975 N SER A 62 4.266 -2.610 -6.390 1.00 0.00 N ATOM 976 CA SER A 62 5.664 -2.976 -6.053 1.00 0.00 C ATOM 977 C SER A 62 6.272 -1.890 -5.157 1.00 0.00 C ATOM 978 O SER A 62 5.655 -0.883 -4.882 1.00 0.00 O ATOM 979 CB SER A 62 6.465 -3.093 -7.346 1.00 0.00 C ATOM 980 OG SER A 62 7.066 -1.833 -7.645 1.00 0.00 O ATOM 0 H SER A 62 4.028 -1.626 -6.270 1.00 0.00 H new ATOM 0 HA SER A 62 5.686 -3.927 -5.522 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.233 -3.860 -7.243 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.814 -3.401 -8.164 1.00 0.00 H new ATOM 0 HG SER A 62 7.583 -1.906 -8.475 1.00 0.00 H new ATOM 986 N PHE A 63 7.479 -2.095 -4.698 1.00 0.00 N ATOM 987 CA PHE A 63 8.135 -1.086 -3.807 1.00 0.00 C ATOM 988 C PHE A 63 8.580 0.104 -4.652 1.00 0.00 C ATOM 989 O PHE A 63 8.543 1.234 -4.214 1.00 0.00 O ATOM 990 CB PHE A 63 9.370 -1.717 -3.144 1.00 0.00 C ATOM 991 CG PHE A 63 9.567 -1.259 -1.696 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.489 -1.177 -0.798 1.00 0.00 C ATOM 993 CD2 PHE A 63 10.856 -0.929 -1.246 1.00 0.00 C ATOM 994 CE1 PHE A 63 8.694 -0.778 0.526 1.00 0.00 C ATOM 995 CE2 PHE A 63 11.061 -0.527 0.090 1.00 0.00 C ATOM 996 CZ PHE A 63 9.979 -0.452 0.979 1.00 0.00 C ATOM 0 H PHE A 63 8.043 -2.920 -4.901 1.00 0.00 H new ATOM 0 HA PHE A 63 7.432 -0.761 -3.040 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.274 -2.803 -3.167 1.00 0.00 H new ATOM 0 HB3 PHE A 63 10.257 -1.463 -3.724 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.493 -1.425 -1.134 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.693 -0.983 -1.926 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.856 -0.721 1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.055 -0.276 0.430 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.135 -0.146 2.003 1.00 0.00 H new ATOM 1006 N GLU A 64 8.996 -0.142 -5.865 1.00 0.00 N ATOM 1007 CA GLU A 64 9.438 0.980 -6.740 1.00 0.00 C ATOM 1008 C GLU A 64 8.240 1.889 -7.013 1.00 0.00 C ATOM 1009 O GLU A 64 8.381 3.020 -7.430 1.00 0.00 O ATOM 1010 CB GLU A 64 9.992 0.425 -8.058 1.00 0.00 C ATOM 1011 CG GLU A 64 10.878 1.481 -8.720 1.00 0.00 C ATOM 1012 CD GLU A 64 12.020 0.793 -9.468 1.00 0.00 C ATOM 1013 OE1 GLU A 64 12.667 -0.054 -8.875 1.00 0.00 O ATOM 1014 OE2 GLU A 64 12.229 1.123 -10.624 1.00 0.00 O ATOM 0 H GLU A 64 9.049 -1.069 -6.287 1.00 0.00 H new ATOM 0 HA GLU A 64 10.226 1.550 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.566 -0.482 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.173 0.152 -8.724 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.289 2.085 -9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.279 2.159 -7.966 1.00 0.00 H new ATOM 1021 N GLU A 65 7.057 1.397 -6.763 1.00 0.00 N ATOM 1022 CA GLU A 65 5.835 2.214 -6.980 1.00 0.00 C ATOM 1023 C GLU A 65 5.175 2.479 -5.609 1.00 0.00 C ATOM 1024 O GLU A 65 4.305 3.317 -5.472 1.00 0.00 O ATOM 1025 CB GLU A 65 4.894 1.439 -7.914 1.00 0.00 C ATOM 1026 CG GLU A 65 3.442 1.755 -7.582 1.00 0.00 C ATOM 1027 CD GLU A 65 3.178 3.243 -7.822 1.00 0.00 C ATOM 1028 OE1 GLU A 65 3.577 3.736 -8.865 1.00 0.00 O ATOM 1029 OE2 GLU A 65 2.581 3.865 -6.959 1.00 0.00 O ATOM 0 H GLU A 65 6.886 0.454 -6.414 1.00 0.00 H new ATOM 0 HA GLU A 65 6.071 3.173 -7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.102 1.702 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.072 0.368 -7.814 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.777 1.152 -8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.231 1.500 -6.544 1.00 0.00 H new ATOM 1036 N PHE A 66 5.611 1.773 -4.599 1.00 0.00 N ATOM 1037 CA PHE A 66 5.067 1.951 -3.214 1.00 0.00 C ATOM 1038 C PHE A 66 5.811 3.115 -2.536 1.00 0.00 C ATOM 1039 O PHE A 66 5.744 3.302 -1.338 1.00 0.00 O ATOM 1040 CB PHE A 66 5.348 0.654 -2.444 1.00 0.00 C ATOM 1041 CG PHE A 66 4.596 0.612 -1.132 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.199 0.538 -1.130 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.295 0.657 0.085 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.498 0.516 0.079 1.00 0.00 C ATOM 1045 CE2 PHE A 66 4.591 0.630 1.293 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.193 0.564 1.289 1.00 0.00 C ATOM 0 H PHE A 66 6.339 1.063 -4.675 1.00 0.00 H new ATOM 0 HA PHE A 66 3.999 2.167 -3.233 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.062 -0.202 -3.055 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.418 0.567 -2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.661 0.498 -2.065 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.374 0.712 0.088 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.419 0.462 0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.127 0.660 2.230 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.651 0.550 2.223 1.00 0.00 H new ATOM 1056 N GLN A 67 6.530 3.884 -3.310 1.00 0.00 N ATOM 1057 CA GLN A 67 7.310 5.037 -2.752 1.00 0.00 C ATOM 1058 C GLN A 67 6.427 6.268 -2.629 1.00 0.00 C ATOM 1059 O GLN A 67 6.447 6.966 -1.641 1.00 0.00 O ATOM 1060 CB GLN A 67 8.508 5.370 -3.652 1.00 0.00 C ATOM 1061 CG GLN A 67 9.336 4.111 -3.938 1.00 0.00 C ATOM 1062 CD GLN A 67 10.234 3.768 -2.732 1.00 0.00 C ATOM 1063 OE1 GLN A 67 11.152 4.506 -2.434 1.00 0.00 O ATOM 1064 NE2 GLN A 67 10.025 2.675 -2.021 1.00 0.00 N ATOM 0 H GLN A 67 6.613 3.763 -4.319 1.00 0.00 H new ATOM 0 HA GLN A 67 7.671 4.747 -1.765 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.157 5.801 -4.589 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.134 6.121 -3.170 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.672 3.274 -4.154 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.951 4.267 -4.824 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.257 2.049 -2.263 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.631 2.457 -1.230 1.00 0.00 H new ATOM 1073 N VAL A 68 5.678 6.555 -3.640 1.00 0.00 N ATOM 1074 CA VAL A 68 4.806 7.764 -3.595 1.00 0.00 C ATOM 1075 C VAL A 68 4.041 7.791 -2.268 1.00 0.00 C ATOM 1076 O VAL A 68 3.938 8.811 -1.617 1.00 0.00 O ATOM 1077 CB VAL A 68 3.822 7.733 -4.761 1.00 0.00 C ATOM 1078 CG1 VAL A 68 3.367 9.157 -5.065 1.00 0.00 C ATOM 1079 CG2 VAL A 68 4.513 7.143 -5.992 1.00 0.00 C ATOM 0 H VAL A 68 5.625 6.010 -4.501 1.00 0.00 H new ATOM 0 HA VAL A 68 5.422 8.660 -3.674 1.00 0.00 H new ATOM 0 HB VAL A 68 2.959 7.119 -4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.663 9.144 -5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.881 9.579 -4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.231 9.766 -5.330 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.812 7.120 -6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.372 7.759 -6.257 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.847 6.129 -5.771 1.00 0.00 H new ATOM 1089 N LEU A 69 3.519 6.670 -1.859 1.00 0.00 N ATOM 1090 CA LEU A 69 2.771 6.602 -0.566 1.00 0.00 C ATOM 1091 C LEU A 69 3.698 7.009 0.559 1.00 0.00 C ATOM 1092 O LEU A 69 3.289 7.626 1.507 1.00 0.00 O ATOM 1093 CB LEU A 69 2.366 5.144 -0.318 1.00 0.00 C ATOM 1094 CG LEU A 69 0.864 4.961 0.017 1.00 0.00 C ATOM 1095 CD1 LEU A 69 0.744 4.352 1.414 1.00 0.00 C ATOM 1096 CD2 LEU A 69 0.093 6.288 -0.009 1.00 0.00 C ATOM 0 H LEU A 69 3.577 5.788 -2.367 1.00 0.00 H new ATOM 0 HA LEU A 69 1.900 7.256 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.606 4.554 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.963 4.745 0.502 1.00 0.00 H new ATOM 0 HG LEU A 69 0.431 4.310 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.309 4.218 1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.248 3.386 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.207 5.018 2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.954 6.105 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.520 6.972 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.164 6.731 -1.002 1.00 0.00 H new ATOM 1108 N VAL A 70 4.938 6.642 0.482 1.00 0.00 N ATOM 1109 CA VAL A 70 5.862 7.010 1.572 1.00 0.00 C ATOM 1110 C VAL A 70 5.683 8.497 1.871 1.00 0.00 C ATOM 1111 O VAL A 70 5.651 8.901 3.011 1.00 0.00 O ATOM 1112 CB VAL A 70 7.318 6.706 1.170 1.00 0.00 C ATOM 1113 CG1 VAL A 70 7.919 7.868 0.372 1.00 0.00 C ATOM 1114 CG2 VAL A 70 8.160 6.487 2.430 1.00 0.00 C ATOM 0 H VAL A 70 5.348 6.107 -0.283 1.00 0.00 H new ATOM 0 HA VAL A 70 5.638 6.425 2.464 1.00 0.00 H new ATOM 0 HB VAL A 70 7.321 5.810 0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.947 7.629 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.333 8.030 -0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.905 8.773 0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.190 6.272 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.133 7.386 3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.757 5.647 2.996 1.00 0.00 H new ATOM 1124 N LYS A 71 5.529 9.318 0.860 1.00 0.00 N ATOM 1125 CA LYS A 71 5.336 10.781 1.106 1.00 0.00 C ATOM 1126 C LYS A 71 3.902 11.056 1.563 1.00 0.00 C ATOM 1127 O LYS A 71 3.372 12.133 1.371 1.00 0.00 O ATOM 1128 CB LYS A 71 5.622 11.556 -0.165 1.00 0.00 C ATOM 1129 CG LYS A 71 6.990 12.233 -0.049 1.00 0.00 C ATOM 1130 CD LYS A 71 8.091 11.175 -0.131 1.00 0.00 C ATOM 1131 CE LYS A 71 9.166 11.635 -1.120 1.00 0.00 C ATOM 1132 NZ LYS A 71 8.579 11.705 -2.488 1.00 0.00 N ATOM 0 H LYS A 71 5.529 9.039 -0.121 1.00 0.00 H new ATOM 0 HA LYS A 71 6.025 11.100 1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.607 10.886 -1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.846 12.304 -0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.114 12.965 -0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.061 12.775 0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.531 11.015 0.853 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.671 10.221 -0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.552 12.611 -0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.008 10.943 -1.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.310 11.477 -3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.799 11.022 -2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.218 12.665 -2.662 1.00 0.00 H new ATOM 1146 N LYS A 72 3.282 10.091 2.177 1.00 0.00 N ATOM 1147 CA LYS A 72 1.905 10.254 2.668 1.00 0.00 C ATOM 1148 C LYS A 72 1.858 9.775 4.122 1.00 0.00 C ATOM 1149 O LYS A 72 0.802 9.474 4.642 1.00 0.00 O ATOM 1150 CB LYS A 72 0.956 9.392 1.833 1.00 0.00 C ATOM 1151 CG LYS A 72 0.508 10.167 0.597 1.00 0.00 C ATOM 1152 CD LYS A 72 1.674 10.309 -0.382 1.00 0.00 C ATOM 1153 CE LYS A 72 1.130 10.544 -1.791 1.00 0.00 C ATOM 1154 NZ LYS A 72 1.369 11.963 -2.179 1.00 0.00 N ATOM 0 H LYS A 72 3.691 9.175 2.360 1.00 0.00 H new ATOM 0 HA LYS A 72 1.603 11.299 2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.455 8.470 1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.089 9.107 2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.322 9.650 0.115 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.144 11.153 0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.314 11.140 -0.084 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.290 9.410 -0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.618 9.874 -2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.064 10.320 -1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.000 12.128 -3.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.884 12.593 -1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.390 12.160 -2.162 1.00 0.00 H new ATOM 1168 N ILE A 73 2.997 9.623 4.772 1.00 0.00 N ATOM 1169 CA ILE A 73 2.953 9.070 6.163 1.00 0.00 C ATOM 1170 C ILE A 73 3.558 9.963 7.208 1.00 0.00 C ATOM 1171 O ILE A 73 2.956 10.251 8.222 1.00 0.00 O ATOM 1172 CB ILE A 73 3.822 7.824 6.240 1.00 0.00 C ATOM 1173 CG1 ILE A 73 3.766 7.074 4.930 1.00 0.00 C ATOM 1174 CG2 ILE A 73 3.403 6.974 7.425 1.00 0.00 C ATOM 1175 CD1 ILE A 73 2.621 6.053 4.928 1.00 0.00 C ATOM 0 H ILE A 73 3.923 9.851 4.410 1.00 0.00 H new ATOM 0 HA ILE A 73 1.891 8.917 6.356 1.00 0.00 H new ATOM 0 HB ILE A 73 4.863 8.104 6.401 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.631 7.778 4.109 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.714 6.563 4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.030 6.083 7.474 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.518 7.549 8.344 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.360 6.678 7.310 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.604 5.527 3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.772 5.335 5.735 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.673 6.570 5.075 1.00 0.00 H new ATOM 1187 N SER A 74 4.804 10.256 7.004 1.00 0.00 N ATOM 1188 CA SER A 74 5.619 10.973 7.991 1.00 0.00 C ATOM 1189 C SER A 74 4.900 11.131 9.342 1.00 0.00 C ATOM 1190 O SER A 74 4.791 10.190 10.104 1.00 0.00 O ATOM 1191 CB SER A 74 6.056 12.333 7.454 1.00 0.00 C ATOM 1192 OG SER A 74 6.991 12.917 8.350 1.00 0.00 O ATOM 0 H SER A 74 5.306 10.012 6.150 1.00 0.00 H new ATOM 0 HA SER A 74 6.506 10.365 8.167 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.504 12.219 6.467 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.191 12.985 7.338 1.00 0.00 H new ATOM 0 HG SER A 74 7.901 12.690 8.067 1.00 0.00 H new ATOM 1198 N GLN A 75 4.410 12.302 9.649 1.00 0.00 N ATOM 1199 CA GLN A 75 3.707 12.494 10.949 1.00 0.00 C ATOM 1200 C GLN A 75 2.732 13.667 10.833 1.00 0.00 C ATOM 1201 O GLN A 75 2.105 13.790 9.793 1.00 0.00 O ATOM 1202 CB GLN A 75 4.736 12.793 12.041 1.00 0.00 C ATOM 1203 CG GLN A 75 5.659 13.920 11.576 1.00 0.00 C ATOM 1204 CD GLN A 75 6.291 14.597 12.794 1.00 0.00 C ATOM 1205 OE1 GLN A 75 6.034 15.755 13.060 1.00 0.00 O ATOM 1206 NE2 GLN A 75 7.111 13.921 13.549 1.00 0.00 N ATOM 1207 OXT GLN A 75 2.627 14.420 11.787 1.00 0.00 O ATOM 0 H GLN A 75 4.466 13.131 9.058 1.00 0.00 H new ATOM 0 HA GLN A 75 3.156 11.589 11.204 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.231 13.079 12.963 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.319 11.899 12.261 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.436 13.522 10.924 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.096 14.649 10.993 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.326 12.949 13.326 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.537 14.364 14.363 1.00 0.00 H new TER 1216 GLN A 75