USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 590 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 Single : A 2 SER OG : rot 26:sc= 0.771 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.892 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.736 USER MOD Single : A 13 MET CE :methyl 177:sc= 0 (180deg=-0.0339) USER MOD Single : A 17 ASN : amide:sc= -2.22 K(o=-2.2,f=-4.4!) USER MOD Single : A 18 SER OG : rot -116:sc= 0.618! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -6.51! C(o=-6.5!,f=-8.9!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -125:sc= 0.613 (180deg=0) USER MOD Single : A 46 MET CE :methyl 169:sc= -10.5! (180deg=-11.5!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.114 K(o=-0.11,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -2.494 14.088 -6.161 1.00 0.00 N ATOM 2 CA SER A 2 -2.336 12.757 -5.510 1.00 0.00 C ATOM 3 C SER A 2 -1.083 12.761 -4.633 1.00 0.00 C ATOM 4 O SER A 2 0.000 13.077 -5.083 1.00 0.00 O ATOM 5 CB SER A 2 -2.199 11.681 -6.586 1.00 0.00 C ATOM 6 OG SER A 2 -2.895 12.096 -7.754 1.00 0.00 O ATOM 0 HA SER A 2 -3.210 12.549 -4.892 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.147 11.512 -6.816 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.602 10.735 -6.225 1.00 0.00 H new ATOM 0 HG SER A 2 -2.936 13.075 -7.780 1.00 0.00 H new ATOM 12 N ASP A 3 -1.221 12.413 -3.383 1.00 0.00 N ATOM 13 CA ASP A 3 -0.036 12.397 -2.479 1.00 0.00 C ATOM 14 C ASP A 3 0.291 10.953 -2.096 1.00 0.00 C ATOM 15 O ASP A 3 1.377 10.467 -2.343 1.00 0.00 O ATOM 16 CB ASP A 3 -0.345 13.203 -1.217 1.00 0.00 C ATOM 17 CG ASP A 3 0.524 14.463 -1.183 1.00 0.00 C ATOM 18 OD1 ASP A 3 1.439 14.552 -1.985 1.00 0.00 O ATOM 19 OD2 ASP A 3 0.259 15.318 -0.353 1.00 0.00 O ATOM 0 H ASP A 3 -2.102 12.139 -2.949 1.00 0.00 H new ATOM 0 HA ASP A 3 0.818 12.840 -2.991 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.400 13.477 -1.198 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.157 12.596 -0.331 1.00 0.00 H new ATOM 24 N LYS A 4 -0.640 10.261 -1.496 1.00 0.00 N ATOM 25 CA LYS A 4 -0.379 8.848 -1.101 1.00 0.00 C ATOM 26 C LYS A 4 0.328 8.127 -2.255 1.00 0.00 C ATOM 27 O LYS A 4 0.010 8.348 -3.405 1.00 0.00 O ATOM 28 CB LYS A 4 -1.710 8.155 -0.799 1.00 0.00 C ATOM 29 CG LYS A 4 -1.456 6.692 -0.430 1.00 0.00 C ATOM 30 CD LYS A 4 -2.761 5.904 -0.549 1.00 0.00 C ATOM 31 CE LYS A 4 -3.757 6.401 0.501 1.00 0.00 C ATOM 32 NZ LYS A 4 -4.202 5.255 1.344 1.00 0.00 N ATOM 0 H LYS A 4 -1.569 10.613 -1.263 1.00 0.00 H new ATOM 0 HA LYS A 4 0.253 8.821 -0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.219 8.664 0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.367 8.213 -1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.699 6.265 -1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.069 6.624 0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.180 6.023 -1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.570 4.840 -0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.294 7.166 1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.616 6.863 0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.879 5.592 2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.659 4.539 0.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.379 4.833 1.819 1.00 0.00 H new ATOM 46 N PRO A 5 1.273 7.288 -1.913 1.00 0.00 N ATOM 47 CA PRO A 5 2.048 6.524 -2.902 1.00 0.00 C ATOM 48 C PRO A 5 1.238 5.360 -3.459 1.00 0.00 C ATOM 49 O PRO A 5 0.221 4.976 -2.917 1.00 0.00 O ATOM 50 CB PRO A 5 3.251 6.025 -2.127 1.00 0.00 C ATOM 51 CG PRO A 5 2.843 6.044 -0.647 1.00 0.00 C ATOM 52 CD PRO A 5 1.657 7.019 -0.518 1.00 0.00 C ATOM 0 HA PRO A 5 2.327 7.129 -3.765 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.527 5.019 -2.442 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.118 6.663 -2.300 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.560 5.046 -0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.676 6.365 -0.022 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.835 6.577 0.045 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.945 7.933 0.001 1.00 0.00 H new ATOM 60 N LYS A 6 1.686 4.802 -4.545 1.00 0.00 N ATOM 61 CA LYS A 6 0.957 3.663 -5.160 1.00 0.00 C ATOM 62 C LYS A 6 1.305 2.369 -4.427 1.00 0.00 C ATOM 63 O LYS A 6 2.073 1.563 -4.909 1.00 0.00 O ATOM 64 CB LYS A 6 1.346 3.556 -6.626 1.00 0.00 C ATOM 65 CG LYS A 6 2.869 3.472 -6.756 1.00 0.00 C ATOM 66 CD LYS A 6 3.229 2.736 -8.047 1.00 0.00 C ATOM 67 CE LYS A 6 4.710 2.353 -8.022 1.00 0.00 C ATOM 68 NZ LYS A 6 5.191 2.136 -9.416 1.00 0.00 N ATOM 0 H LYS A 6 2.533 5.088 -5.037 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.117 3.829 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.885 2.674 -7.070 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.973 4.421 -7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.300 4.473 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.290 2.949 -5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.613 1.843 -8.152 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.021 3.370 -8.909 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.292 3.141 -7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.853 1.448 -7.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.198 1.876 -9.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.643 1.370 -9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.069 3.010 -9.966 1.00 0.00 H new ATOM 82 N ARG A 7 0.735 2.197 -3.258 1.00 0.00 N ATOM 83 CA ARG A 7 0.977 0.987 -2.407 1.00 0.00 C ATOM 84 C ARG A 7 1.782 -0.099 -3.155 1.00 0.00 C ATOM 85 O ARG A 7 1.379 -0.565 -4.202 1.00 0.00 O ATOM 86 CB ARG A 7 -0.369 0.406 -1.970 1.00 0.00 C ATOM 87 CG ARG A 7 -0.838 1.101 -0.689 1.00 0.00 C ATOM 88 CD ARG A 7 -1.945 0.271 -0.033 1.00 0.00 C ATOM 89 NE ARG A 7 -1.352 -0.617 1.006 1.00 0.00 N ATOM 90 CZ ARG A 7 -2.030 -0.910 2.082 1.00 0.00 C ATOM 91 NH1 ARG A 7 -2.706 0.019 2.702 1.00 0.00 N ATOM 92 NH2 ARG A 7 -2.032 -2.132 2.539 1.00 0.00 N ATOM 0 H ARG A 7 0.089 2.870 -2.845 1.00 0.00 H new ATOM 0 HA ARG A 7 1.564 1.298 -1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.108 0.540 -2.760 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.275 -0.667 -1.800 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.002 1.220 -0.000 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.206 2.101 -0.919 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.689 0.929 0.417 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.461 -0.326 -0.785 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.414 -0.997 0.876 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.705 0.975 2.346 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.236 -0.211 3.543 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.504 -2.858 2.055 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.562 -2.361 3.380 1.00 0.00 H new ATOM 106 N PRO A 8 2.902 -0.454 -2.576 1.00 0.00 N ATOM 107 CA PRO A 8 3.825 -1.463 -3.118 1.00 0.00 C ATOM 108 C PRO A 8 3.317 -2.874 -2.820 1.00 0.00 C ATOM 109 O PRO A 8 2.855 -3.164 -1.735 1.00 0.00 O ATOM 110 CB PRO A 8 5.131 -1.186 -2.365 1.00 0.00 C ATOM 111 CG PRO A 8 4.729 -0.444 -1.063 1.00 0.00 C ATOM 112 CD PRO A 8 3.349 0.145 -1.319 1.00 0.00 C ATOM 0 HA PRO A 8 3.936 -1.405 -4.201 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.654 -2.115 -2.138 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.806 -0.578 -2.967 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.709 -1.129 -0.215 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.448 0.339 -0.823 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.663 -0.091 -0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.393 1.232 -1.394 1.00 0.00 H new ATOM 120 N LEU A 9 3.397 -3.746 -3.781 1.00 0.00 N ATOM 121 CA LEU A 9 2.919 -5.136 -3.568 1.00 0.00 C ATOM 122 C LEU A 9 4.094 -6.063 -3.292 1.00 0.00 C ATOM 123 O LEU A 9 5.223 -5.790 -3.648 1.00 0.00 O ATOM 124 CB LEU A 9 2.182 -5.619 -4.822 1.00 0.00 C ATOM 125 CG LEU A 9 0.763 -6.050 -4.457 1.00 0.00 C ATOM 126 CD1 LEU A 9 0.148 -5.015 -3.518 1.00 0.00 C ATOM 127 CD2 LEU A 9 -0.079 -6.149 -5.728 1.00 0.00 C ATOM 0 H LEU A 9 3.775 -3.555 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 9 2.246 -5.149 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.150 -4.822 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.720 -6.453 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 9 0.790 -7.021 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.865 -5.319 -3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.751 -4.941 -2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.118 -4.045 -4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.092 -6.457 -5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.109 -5.177 -6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.363 -6.884 -6.401 1.00 0.00 H new ATOM 139 N SER A 10 3.821 -7.164 -2.657 1.00 0.00 N ATOM 140 CA SER A 10 4.902 -8.138 -2.347 1.00 0.00 C ATOM 141 C SER A 10 5.121 -9.050 -3.552 1.00 0.00 C ATOM 142 O SER A 10 4.263 -9.194 -4.400 1.00 0.00 O ATOM 143 CB SER A 10 4.498 -8.979 -1.135 1.00 0.00 C ATOM 144 OG SER A 10 3.140 -8.713 -0.810 1.00 0.00 O ATOM 0 H SER A 10 2.891 -7.434 -2.337 1.00 0.00 H new ATOM 0 HA SER A 10 5.824 -7.602 -2.124 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.631 -10.039 -1.353 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.140 -8.745 -0.286 1.00 0.00 H new ATOM 0 HG SER A 10 2.878 -9.252 -0.035 1.00 0.00 H new ATOM 150 N ALA A 11 6.266 -9.663 -3.637 1.00 0.00 N ATOM 151 CA ALA A 11 6.546 -10.567 -4.788 1.00 0.00 C ATOM 152 C ALA A 11 5.434 -11.612 -4.902 1.00 0.00 C ATOM 153 O ALA A 11 4.990 -11.947 -5.983 1.00 0.00 O ATOM 154 CB ALA A 11 7.885 -11.270 -4.564 1.00 0.00 C ATOM 0 H ALA A 11 7.023 -9.578 -2.958 1.00 0.00 H new ATOM 0 HA ALA A 11 6.588 -9.983 -5.708 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.093 -11.932 -5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.678 -10.526 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.840 -11.854 -3.644 1.00 0.00 H new ATOM 160 N TYR A 12 4.980 -12.127 -3.793 1.00 0.00 N ATOM 161 CA TYR A 12 3.903 -13.147 -3.824 1.00 0.00 C ATOM 162 C TYR A 12 2.675 -12.577 -4.537 1.00 0.00 C ATOM 163 O TYR A 12 1.958 -13.282 -5.220 1.00 0.00 O ATOM 164 CB TYR A 12 3.552 -13.506 -2.384 1.00 0.00 C ATOM 165 CG TYR A 12 2.330 -14.388 -2.355 1.00 0.00 C ATOM 166 CD1 TYR A 12 2.147 -15.365 -3.341 1.00 0.00 C ATOM 167 CD2 TYR A 12 1.382 -14.236 -1.337 1.00 0.00 C ATOM 168 CE1 TYR A 12 1.016 -16.188 -3.308 1.00 0.00 C ATOM 169 CE2 TYR A 12 0.252 -15.058 -1.305 1.00 0.00 C ATOM 170 CZ TYR A 12 0.068 -16.034 -2.291 1.00 0.00 C ATOM 171 OH TYR A 12 -1.047 -16.846 -2.258 1.00 0.00 O ATOM 0 H TYR A 12 5.314 -11.881 -2.861 1.00 0.00 H new ATOM 0 HA TYR A 12 4.234 -14.036 -4.362 1.00 0.00 H new ATOM 0 HB2 TYR A 12 4.391 -14.018 -1.913 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.369 -12.598 -1.809 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.879 -15.483 -4.127 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.524 -13.483 -0.576 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.875 -16.942 -4.068 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.479 -14.940 -0.519 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.602 -16.608 -1.487 1.00 0.00 H new ATOM 181 N MET A 13 2.426 -11.307 -4.383 1.00 0.00 N ATOM 182 CA MET A 13 1.250 -10.690 -5.044 1.00 0.00 C ATOM 183 C MET A 13 1.471 -10.635 -6.559 1.00 0.00 C ATOM 184 O MET A 13 0.617 -11.024 -7.331 1.00 0.00 O ATOM 185 CB MET A 13 1.062 -9.275 -4.501 1.00 0.00 C ATOM 186 CG MET A 13 0.890 -9.334 -2.981 1.00 0.00 C ATOM 187 SD MET A 13 -0.745 -8.702 -2.533 1.00 0.00 S ATOM 188 CE MET A 13 -1.650 -10.256 -2.734 1.00 0.00 C ATOM 0 H MET A 13 2.992 -10.669 -3.824 1.00 0.00 H new ATOM 0 HA MET A 13 0.361 -11.287 -4.839 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.923 -8.658 -4.757 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.189 -8.810 -4.959 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.003 -10.360 -2.631 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.666 -8.744 -2.493 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.693 -10.109 -2.453 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.597 -10.576 -3.775 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.206 -11.020 -2.096 1.00 0.00 H new ATOM 198 N LEU A 14 2.604 -10.152 -6.996 1.00 0.00 N ATOM 199 CA LEU A 14 2.854 -10.079 -8.465 1.00 0.00 C ATOM 200 C LEU A 14 2.612 -11.456 -9.085 1.00 0.00 C ATOM 201 O LEU A 14 2.168 -11.572 -10.210 1.00 0.00 O ATOM 202 CB LEU A 14 4.301 -9.642 -8.742 1.00 0.00 C ATOM 203 CG LEU A 14 4.759 -8.624 -7.685 1.00 0.00 C ATOM 204 CD1 LEU A 14 6.017 -7.897 -8.176 1.00 0.00 C ATOM 205 CD2 LEU A 14 3.649 -7.596 -7.447 1.00 0.00 C ATOM 0 H LEU A 14 3.361 -9.808 -6.405 1.00 0.00 H new ATOM 0 HA LEU A 14 2.176 -9.347 -8.904 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.960 -10.511 -8.731 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.372 -9.202 -9.737 1.00 0.00 H new ATOM 0 HG LEU A 14 4.980 -9.150 -6.756 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.338 -7.177 -7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.813 -8.622 -8.347 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.796 -7.375 -9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.975 -6.875 -6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.429 -7.076 -8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.752 -8.105 -7.095 1.00 0.00 H new ATOM 217 N TRP A 15 2.896 -12.502 -8.358 1.00 0.00 N ATOM 218 CA TRP A 15 2.677 -13.870 -8.905 1.00 0.00 C ATOM 219 C TRP A 15 1.176 -14.148 -8.994 1.00 0.00 C ATOM 220 O TRP A 15 0.680 -14.613 -10.000 1.00 0.00 O ATOM 221 CB TRP A 15 3.335 -14.897 -7.980 1.00 0.00 C ATOM 222 CG TRP A 15 2.961 -16.278 -8.415 1.00 0.00 C ATOM 223 CD1 TRP A 15 3.491 -16.928 -9.477 1.00 0.00 C ATOM 224 CD2 TRP A 15 1.992 -17.188 -7.820 1.00 0.00 C ATOM 225 NE1 TRP A 15 2.911 -18.180 -9.569 1.00 0.00 N ATOM 226 CE2 TRP A 15 1.980 -18.387 -8.570 1.00 0.00 C ATOM 227 CE3 TRP A 15 1.132 -17.090 -6.712 1.00 0.00 C ATOM 228 CZ2 TRP A 15 1.142 -19.452 -8.233 1.00 0.00 C ATOM 229 CZ3 TRP A 15 0.288 -18.159 -6.369 1.00 0.00 C ATOM 230 CH2 TRP A 15 0.294 -19.337 -7.128 1.00 0.00 C ATOM 0 H TRP A 15 3.270 -12.468 -7.410 1.00 0.00 H new ATOM 0 HA TRP A 15 3.118 -13.942 -9.899 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.418 -14.779 -8.002 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.017 -14.731 -6.951 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.244 -16.534 -10.144 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.142 -18.867 -10.287 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.120 -16.186 -6.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 1.149 -20.357 -8.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.369 -18.073 -5.516 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.357 -20.156 -6.859 1.00 0.00 H new ATOM 241 N LEU A 16 0.448 -13.868 -7.946 1.00 0.00 N ATOM 242 CA LEU A 16 -1.022 -14.119 -7.967 1.00 0.00 C ATOM 243 C LEU A 16 -1.659 -13.386 -9.151 1.00 0.00 C ATOM 244 O LEU A 16 -2.645 -13.830 -9.704 1.00 0.00 O ATOM 245 CB LEU A 16 -1.647 -13.612 -6.665 1.00 0.00 C ATOM 246 CG LEU A 16 -1.008 -14.327 -5.474 1.00 0.00 C ATOM 247 CD1 LEU A 16 -1.028 -13.400 -4.256 1.00 0.00 C ATOM 248 CD2 LEU A 16 -1.799 -15.598 -5.157 1.00 0.00 C ATOM 0 H LEU A 16 0.808 -13.476 -7.076 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.199 -15.190 -8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.502 -12.535 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.722 -13.789 -6.673 1.00 0.00 H new ATOM 0 HG LEU A 16 0.021 -14.590 -5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.573 -13.907 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.467 -12.493 -4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.058 -13.139 -4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.344 -16.108 -4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.828 -15.335 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.790 -16.258 -6.024 1.00 0.00 H new ATOM 260 N ASN A 17 -1.114 -12.266 -9.542 1.00 0.00 N ATOM 261 CA ASN A 17 -1.704 -11.516 -10.682 1.00 0.00 C ATOM 262 C ASN A 17 -1.468 -12.278 -11.986 1.00 0.00 C ATOM 263 O ASN A 17 -2.394 -12.577 -12.714 1.00 0.00 O ATOM 264 CB ASN A 17 -1.060 -10.145 -10.762 1.00 0.00 C ATOM 265 CG ASN A 17 -0.921 -9.559 -9.355 1.00 0.00 C ATOM 266 OD1 ASN A 17 -1.573 -10.007 -8.432 1.00 0.00 O ATOM 267 ND2 ASN A 17 -0.094 -8.570 -9.150 1.00 0.00 N ATOM 0 H ASN A 17 -0.288 -11.841 -9.121 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.778 -11.407 -10.529 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.080 -10.219 -11.234 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.664 -9.484 -11.384 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.005 -8.173 -8.216 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.453 -8.194 -9.924 1.00 0.00 H new ATOM 274 N SER A 18 -0.243 -12.599 -12.289 1.00 0.00 N ATOM 275 CA SER A 18 0.034 -13.344 -13.549 1.00 0.00 C ATOM 276 C SER A 18 -0.391 -14.805 -13.382 1.00 0.00 C ATOM 277 O SER A 18 -0.304 -15.594 -14.302 1.00 0.00 O ATOM 278 CB SER A 18 1.520 -13.276 -13.870 1.00 0.00 C ATOM 279 OG SER A 18 2.154 -14.475 -13.444 1.00 0.00 O ATOM 0 H SER A 18 0.576 -12.379 -11.722 1.00 0.00 H new ATOM 0 HA SER A 18 -0.529 -12.894 -14.366 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.665 -13.136 -14.941 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.971 -12.417 -13.373 1.00 0.00 H new ATOM 0 HG SER A 18 2.802 -14.269 -12.739 1.00 0.00 H new ATOM 285 N ALA A 19 -0.850 -15.172 -12.216 1.00 0.00 N ATOM 286 CA ALA A 19 -1.280 -16.581 -11.998 1.00 0.00 C ATOM 287 C ALA A 19 -2.805 -16.655 -12.004 1.00 0.00 C ATOM 288 O ALA A 19 -3.380 -17.721 -12.071 1.00 0.00 O ATOM 289 CB ALA A 19 -0.757 -17.079 -10.650 1.00 0.00 C ATOM 0 H ALA A 19 -0.945 -14.558 -11.407 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.878 -17.205 -12.796 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.074 -18.110 -10.495 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.332 -17.029 -10.641 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.155 -16.453 -9.851 1.00 0.00 H new ATOM 295 N ARG A 20 -3.469 -15.533 -11.925 1.00 0.00 N ATOM 296 CA ARG A 20 -4.958 -15.553 -11.918 1.00 0.00 C ATOM 297 C ARG A 20 -5.474 -16.147 -13.231 1.00 0.00 C ATOM 298 O ARG A 20 -6.568 -16.669 -13.294 1.00 0.00 O ATOM 299 CB ARG A 20 -5.490 -14.128 -11.752 1.00 0.00 C ATOM 300 CG ARG A 20 -5.899 -13.903 -10.295 1.00 0.00 C ATOM 301 CD ARG A 20 -5.752 -12.422 -9.942 1.00 0.00 C ATOM 302 NE ARG A 20 -5.738 -12.265 -8.459 1.00 0.00 N ATOM 303 CZ ARG A 20 -6.557 -11.431 -7.881 1.00 0.00 C ATOM 304 NH1 ARG A 20 -7.820 -11.421 -8.211 1.00 0.00 N ATOM 305 NH2 ARG A 20 -6.115 -10.605 -6.972 1.00 0.00 N ATOM 0 H ARG A 20 -3.045 -14.607 -11.865 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.305 -16.167 -11.087 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.726 -13.407 -12.042 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.345 -13.968 -12.410 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.930 -14.223 -10.143 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.277 -14.508 -9.635 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.831 -12.025 -10.369 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.575 -11.851 -10.371 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.086 -12.811 -7.896 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.167 -12.066 -8.921 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.460 -10.768 -7.759 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.128 -10.612 -6.713 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.756 -9.953 -6.520 1.00 0.00 H new ATOM 319 N GLU A 21 -4.698 -16.081 -14.276 1.00 0.00 N ATOM 320 CA GLU A 21 -5.155 -16.655 -15.571 1.00 0.00 C ATOM 321 C GLU A 21 -4.945 -18.167 -15.548 1.00 0.00 C ATOM 322 O GLU A 21 -5.871 -18.936 -15.704 1.00 0.00 O ATOM 323 CB GLU A 21 -4.354 -16.040 -16.722 1.00 0.00 C ATOM 324 CG GLU A 21 -4.818 -14.600 -16.956 1.00 0.00 C ATOM 325 CD GLU A 21 -5.908 -14.581 -18.029 1.00 0.00 C ATOM 326 OE1 GLU A 21 -5.764 -15.301 -19.004 1.00 0.00 O ATOM 327 OE2 GLU A 21 -6.867 -13.846 -17.859 1.00 0.00 O ATOM 0 H GLU A 21 -3.771 -15.656 -14.290 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.212 -16.433 -15.717 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.290 -16.057 -16.488 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.490 -16.629 -17.629 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.200 -14.175 -16.028 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.976 -13.982 -17.267 1.00 0.00 H new ATOM 334 N SER A 22 -3.735 -18.598 -15.340 1.00 0.00 N ATOM 335 CA SER A 22 -3.467 -20.061 -15.291 1.00 0.00 C ATOM 336 C SER A 22 -4.132 -20.649 -14.047 1.00 0.00 C ATOM 337 O SER A 22 -4.197 -21.851 -13.875 1.00 0.00 O ATOM 338 CB SER A 22 -1.959 -20.307 -15.233 1.00 0.00 C ATOM 339 OG SER A 22 -1.645 -21.466 -15.994 1.00 0.00 O ATOM 0 H SER A 22 -2.919 -18.001 -15.202 1.00 0.00 H new ATOM 0 HA SER A 22 -3.871 -20.538 -16.184 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.422 -19.443 -15.625 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.639 -20.438 -14.199 1.00 0.00 H new ATOM 0 HG SER A 22 -0.679 -21.627 -15.961 1.00 0.00 H new ATOM 345 N ILE A 23 -4.636 -19.811 -13.180 1.00 0.00 N ATOM 346 CA ILE A 23 -5.308 -20.321 -11.956 1.00 0.00 C ATOM 347 C ILE A 23 -6.790 -20.528 -12.265 1.00 0.00 C ATOM 348 O ILE A 23 -7.362 -21.556 -11.965 1.00 0.00 O ATOM 349 CB ILE A 23 -5.149 -19.295 -10.824 1.00 0.00 C ATOM 350 CG1 ILE A 23 -3.789 -19.493 -10.149 1.00 0.00 C ATOM 351 CG2 ILE A 23 -6.260 -19.474 -9.780 1.00 0.00 C ATOM 352 CD1 ILE A 23 -3.549 -18.369 -9.140 1.00 0.00 C ATOM 0 H ILE A 23 -4.610 -18.795 -13.269 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.861 -21.265 -11.645 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.216 -18.292 -11.245 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.759 -20.460 -9.646 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.997 -19.498 -10.898 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.133 -18.740 -8.984 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.231 -19.332 -10.254 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.205 -20.478 -9.359 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.581 -18.511 -8.660 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.561 -17.409 -9.655 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.334 -18.385 -8.384 1.00 0.00 H new ATOM 364 N LYS A 24 -7.416 -19.549 -12.854 1.00 0.00 N ATOM 365 CA LYS A 24 -8.853 -19.673 -13.170 1.00 0.00 C ATOM 366 C LYS A 24 -9.052 -20.714 -14.276 1.00 0.00 C ATOM 367 O LYS A 24 -10.146 -21.193 -14.499 1.00 0.00 O ATOM 368 CB LYS A 24 -9.351 -18.314 -13.649 1.00 0.00 C ATOM 369 CG LYS A 24 -9.683 -17.439 -12.440 1.00 0.00 C ATOM 370 CD LYS A 24 -10.634 -16.318 -12.864 1.00 0.00 C ATOM 371 CE LYS A 24 -9.870 -15.291 -13.701 1.00 0.00 C ATOM 372 NZ LYS A 24 -9.970 -13.953 -13.055 1.00 0.00 N ATOM 0 H LYS A 24 -6.986 -18.666 -13.129 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.408 -19.991 -12.287 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.590 -17.832 -14.263 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.234 -18.438 -14.275 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.142 -18.042 -11.657 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.769 -17.016 -12.022 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.463 -16.728 -13.440 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.064 -15.839 -11.984 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.825 -15.586 -13.793 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.280 -15.251 -14.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.451 -13.254 -13.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.969 -13.673 -12.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.560 -13.997 -12.100 1.00 0.00 H new ATOM 386 N ARG A 25 -8.005 -21.064 -14.976 1.00 0.00 N ATOM 387 CA ARG A 25 -8.140 -22.066 -16.072 1.00 0.00 C ATOM 388 C ARG A 25 -7.940 -23.476 -15.513 1.00 0.00 C ATOM 389 O ARG A 25 -8.778 -24.343 -15.675 1.00 0.00 O ATOM 390 CB ARG A 25 -7.086 -21.793 -17.146 1.00 0.00 C ATOM 391 CG ARG A 25 -7.597 -20.714 -18.102 1.00 0.00 C ATOM 392 CD ARG A 25 -6.914 -20.863 -19.451 1.00 0.00 C ATOM 393 NE ARG A 25 -7.773 -21.672 -20.362 1.00 0.00 N ATOM 394 CZ ARG A 25 -8.399 -21.093 -21.350 1.00 0.00 C ATOM 395 NH1 ARG A 25 -7.788 -20.899 -22.487 1.00 0.00 N ATOM 396 NH2 ARG A 25 -9.637 -20.707 -21.202 1.00 0.00 N ATOM 0 H ARG A 25 -7.063 -20.699 -14.836 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.136 -21.988 -16.508 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.154 -21.470 -16.682 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.868 -22.708 -17.697 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.677 -20.799 -18.219 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.398 -19.725 -17.690 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.729 -19.881 -19.886 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.944 -21.344 -19.327 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.871 -22.676 -20.213 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.820 -21.200 -22.604 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.278 -20.446 -23.259 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.116 -20.858 -20.314 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.126 -20.254 -21.974 1.00 0.00 H new ATOM 410 N GLU A 26 -6.837 -23.717 -14.857 1.00 0.00 N ATOM 411 CA GLU A 26 -6.584 -25.071 -14.293 1.00 0.00 C ATOM 412 C GLU A 26 -7.549 -25.337 -13.133 1.00 0.00 C ATOM 413 O GLU A 26 -7.574 -26.413 -12.571 1.00 0.00 O ATOM 414 CB GLU A 26 -5.144 -25.147 -13.781 1.00 0.00 C ATOM 415 CG GLU A 26 -5.006 -24.284 -12.525 1.00 0.00 C ATOM 416 CD GLU A 26 -3.534 -24.214 -12.112 1.00 0.00 C ATOM 417 OE1 GLU A 26 -2.726 -23.818 -12.935 1.00 0.00 O ATOM 418 OE2 GLU A 26 -3.242 -24.554 -10.977 1.00 0.00 O ATOM 0 H GLU A 26 -6.100 -23.032 -14.688 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.738 -25.820 -15.070 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.880 -26.180 -13.557 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.454 -24.802 -14.551 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.389 -23.282 -12.716 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.602 -24.704 -11.715 1.00 0.00 H new ATOM 425 N ASN A 27 -8.340 -24.365 -12.766 1.00 0.00 N ATOM 426 CA ASN A 27 -9.292 -24.572 -11.641 1.00 0.00 C ATOM 427 C ASN A 27 -10.725 -24.639 -12.177 1.00 0.00 C ATOM 428 O ASN A 27 -11.064 -23.964 -13.129 1.00 0.00 O ATOM 429 CB ASN A 27 -9.171 -23.410 -10.653 1.00 0.00 C ATOM 430 CG ASN A 27 -7.759 -23.382 -10.067 1.00 0.00 C ATOM 431 OD1 ASN A 27 -7.006 -24.322 -10.221 1.00 0.00 O ATOM 432 ND2 ASN A 27 -7.366 -22.333 -9.397 1.00 0.00 N ATOM 0 H ASN A 27 -8.367 -23.440 -13.196 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.054 -25.509 -11.137 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.386 -22.467 -11.156 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.905 -23.520 -9.855 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.426 -22.303 -9.002 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.999 -21.544 -9.268 1.00 0.00 H new ATOM 439 N PRO A 28 -11.524 -25.453 -11.538 1.00 0.00 N ATOM 440 CA PRO A 28 -12.934 -25.639 -11.908 1.00 0.00 C ATOM 441 C PRO A 28 -13.778 -24.466 -11.417 1.00 0.00 C ATOM 442 O PRO A 28 -14.526 -24.591 -10.468 1.00 0.00 O ATOM 443 CB PRO A 28 -13.333 -26.919 -11.191 1.00 0.00 C ATOM 444 CG PRO A 28 -12.339 -27.094 -10.037 1.00 0.00 C ATOM 445 CD PRO A 28 -11.097 -26.262 -10.383 1.00 0.00 C ATOM 0 HA PRO A 28 -13.083 -25.694 -12.986 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -14.355 -26.853 -10.817 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.296 -27.772 -11.869 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.777 -26.759 -9.097 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.076 -28.144 -9.910 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.791 -25.634 -9.546 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.247 -26.897 -10.632 1.00 0.00 H new ATOM 453 N GLY A 29 -13.655 -23.321 -12.039 1.00 0.00 N ATOM 454 CA GLY A 29 -14.447 -22.147 -11.575 1.00 0.00 C ATOM 455 C GLY A 29 -14.352 -22.086 -10.054 1.00 0.00 C ATOM 456 O GLY A 29 -15.244 -21.616 -9.376 1.00 0.00 O ATOM 0 H GLY A 29 -13.046 -23.151 -12.840 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.062 -21.228 -12.018 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.487 -22.241 -11.888 1.00 0.00 H new ATOM 460 N ILE A 30 -13.269 -22.585 -9.521 1.00 0.00 N ATOM 461 CA ILE A 30 -13.073 -22.600 -8.051 1.00 0.00 C ATOM 462 C ILE A 30 -13.619 -21.315 -7.423 1.00 0.00 C ATOM 463 O ILE A 30 -13.649 -20.271 -8.044 1.00 0.00 O ATOM 464 CB ILE A 30 -11.587 -22.724 -7.773 1.00 0.00 C ATOM 465 CG1 ILE A 30 -11.339 -22.823 -6.267 1.00 0.00 C ATOM 466 CG2 ILE A 30 -10.898 -21.495 -8.327 1.00 0.00 C ATOM 467 CD1 ILE A 30 -9.833 -22.862 -6.005 1.00 0.00 C ATOM 0 H ILE A 30 -12.501 -22.989 -10.056 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.611 -23.442 -7.615 1.00 0.00 H new ATOM 0 HB ILE A 30 -11.194 -23.624 -8.246 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -11.787 -21.971 -5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.813 -23.719 -5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.827 -21.562 -8.138 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.074 -21.432 -9.401 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.297 -20.604 -7.841 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.652 -22.933 -4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.399 -23.729 -6.504 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.373 -21.953 -6.392 1.00 0.00 H new ATOM 479 N LYS A 31 -14.048 -21.385 -6.193 1.00 0.00 N ATOM 480 CA LYS A 31 -14.590 -20.170 -5.522 1.00 0.00 C ATOM 481 C LYS A 31 -13.485 -19.116 -5.411 1.00 0.00 C ATOM 482 O LYS A 31 -12.313 -19.433 -5.378 1.00 0.00 O ATOM 483 CB LYS A 31 -15.086 -20.541 -4.122 1.00 0.00 C ATOM 484 CG LYS A 31 -16.579 -20.229 -4.009 1.00 0.00 C ATOM 485 CD LYS A 31 -17.394 -21.478 -4.358 1.00 0.00 C ATOM 486 CE LYS A 31 -17.331 -22.473 -3.198 1.00 0.00 C ATOM 487 NZ LYS A 31 -17.096 -23.844 -3.734 1.00 0.00 N ATOM 0 H LYS A 31 -14.047 -22.231 -5.623 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.418 -19.768 -6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.910 -21.600 -3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.529 -19.984 -3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -16.816 -19.899 -2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.842 -19.412 -4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.430 -21.204 -4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -17.003 -21.937 -5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -16.531 -22.197 -2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.262 -22.447 -2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.053 -24.522 -2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -17.874 -24.105 -4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.197 -23.863 -4.257 1.00 0.00 H new ATOM 501 N VAL A 32 -13.849 -17.864 -5.356 1.00 0.00 N ATOM 502 CA VAL A 32 -12.831 -16.794 -5.251 1.00 0.00 C ATOM 503 C VAL A 32 -12.088 -16.932 -3.916 1.00 0.00 C ATOM 504 O VAL A 32 -10.891 -16.738 -3.837 1.00 0.00 O ATOM 505 CB VAL A 32 -13.519 -15.425 -5.361 1.00 0.00 C ATOM 506 CG1 VAL A 32 -14.930 -15.514 -4.811 1.00 0.00 C ATOM 507 CG2 VAL A 32 -12.751 -14.385 -4.561 1.00 0.00 C ATOM 0 H VAL A 32 -14.816 -17.540 -5.380 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.107 -16.881 -6.061 1.00 0.00 H new ATOM 0 HB VAL A 32 -13.544 -15.134 -6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -15.414 -14.541 -4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -15.497 -16.249 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -14.894 -15.816 -3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -13.249 -13.419 -4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.717 -14.684 -3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.735 -14.305 -4.948 1.00 0.00 H new ATOM 517 N THR A 33 -12.792 -17.258 -2.871 1.00 0.00 N ATOM 518 CA THR A 33 -12.133 -17.403 -1.541 1.00 0.00 C ATOM 519 C THR A 33 -11.061 -18.493 -1.611 1.00 0.00 C ATOM 520 O THR A 33 -10.007 -18.379 -1.016 1.00 0.00 O ATOM 521 CB THR A 33 -13.182 -17.783 -0.492 1.00 0.00 C ATOM 522 OG1 THR A 33 -13.845 -18.973 -0.894 1.00 0.00 O ATOM 523 CG2 THR A 33 -14.202 -16.651 -0.354 1.00 0.00 C ATOM 0 H THR A 33 -13.797 -17.431 -2.878 1.00 0.00 H new ATOM 0 HA THR A 33 -11.666 -16.458 -1.264 1.00 0.00 H new ATOM 0 HB THR A 33 -12.692 -17.947 0.468 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.515 -19.217 -0.222 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.948 -16.923 0.393 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.693 -15.739 -0.043 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.693 -16.484 -1.313 1.00 0.00 H new ATOM 531 N GLU A 34 -11.320 -19.552 -2.329 1.00 0.00 N ATOM 532 CA GLU A 34 -10.313 -20.647 -2.429 1.00 0.00 C ATOM 533 C GLU A 34 -9.307 -20.320 -3.535 1.00 0.00 C ATOM 534 O GLU A 34 -8.241 -20.899 -3.608 1.00 0.00 O ATOM 535 CB GLU A 34 -11.023 -21.962 -2.756 1.00 0.00 C ATOM 536 CG GLU A 34 -11.619 -22.551 -1.477 1.00 0.00 C ATOM 537 CD GLU A 34 -11.368 -24.059 -1.442 1.00 0.00 C ATOM 538 OE1 GLU A 34 -11.714 -24.720 -2.409 1.00 0.00 O ATOM 539 OE2 GLU A 34 -10.835 -24.529 -0.450 1.00 0.00 O ATOM 0 H GLU A 34 -12.183 -19.706 -2.850 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.786 -20.744 -1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.809 -21.790 -3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.320 -22.667 -3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.171 -22.077 -0.603 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.689 -22.349 -1.436 1.00 0.00 H new ATOM 546 N VAL A 35 -9.634 -19.395 -4.396 1.00 0.00 N ATOM 547 CA VAL A 35 -8.695 -19.032 -5.492 1.00 0.00 C ATOM 548 C VAL A 35 -7.387 -18.516 -4.885 1.00 0.00 C ATOM 549 O VAL A 35 -6.336 -18.597 -5.490 1.00 0.00 O ATOM 550 CB VAL A 35 -9.331 -17.948 -6.360 1.00 0.00 C ATOM 551 CG1 VAL A 35 -8.261 -17.262 -7.214 1.00 0.00 C ATOM 552 CG2 VAL A 35 -10.380 -18.583 -7.277 1.00 0.00 C ATOM 0 H VAL A 35 -10.512 -18.875 -4.387 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.484 -19.907 -6.107 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.802 -17.206 -5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.725 -16.491 -7.829 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.514 -16.807 -6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.781 -17.999 -7.858 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.836 -17.811 -7.898 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.903 -19.327 -7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.149 -19.063 -6.672 1.00 0.00 H new ATOM 562 N ALA A 36 -7.445 -17.986 -3.693 1.00 0.00 N ATOM 563 CA ALA A 36 -6.210 -17.463 -3.046 1.00 0.00 C ATOM 564 C ALA A 36 -5.512 -18.589 -2.280 1.00 0.00 C ATOM 565 O ALA A 36 -4.308 -18.738 -2.335 1.00 0.00 O ATOM 566 CB ALA A 36 -6.584 -16.342 -2.073 1.00 0.00 C ATOM 0 H ALA A 36 -8.297 -17.893 -3.139 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.537 -17.076 -3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.682 -15.957 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.079 -15.538 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.258 -16.732 -1.310 1.00 0.00 H new ATOM 572 N LYS A 37 -6.259 -19.379 -1.557 1.00 0.00 N ATOM 573 CA LYS A 37 -5.641 -20.487 -0.782 1.00 0.00 C ATOM 574 C LYS A 37 -4.815 -21.381 -1.716 1.00 0.00 C ATOM 575 O LYS A 37 -3.731 -21.816 -1.381 1.00 0.00 O ATOM 576 CB LYS A 37 -6.754 -21.288 -0.093 1.00 0.00 C ATOM 577 CG LYS A 37 -7.115 -22.546 -0.897 1.00 0.00 C ATOM 578 CD LYS A 37 -8.200 -23.331 -0.158 1.00 0.00 C ATOM 579 CE LYS A 37 -7.548 -24.272 0.857 1.00 0.00 C ATOM 580 NZ LYS A 37 -8.486 -25.386 1.171 1.00 0.00 N ATOM 0 H LYS A 37 -7.273 -19.303 -1.471 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.969 -20.086 -0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.433 -21.574 0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.638 -20.661 0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.466 -22.267 -1.890 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.231 -23.169 -1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.878 -22.645 0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.798 -23.903 -0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.616 -24.669 0.455 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.296 -23.726 1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.638 -25.432 2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.395 -25.220 0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.081 -26.285 0.840 1.00 0.00 H new ATOM 594 N ARG A 38 -5.325 -21.657 -2.883 1.00 0.00 N ATOM 595 CA ARG A 38 -4.581 -22.522 -3.839 1.00 0.00 C ATOM 596 C ARG A 38 -3.357 -21.771 -4.366 1.00 0.00 C ATOM 597 O ARG A 38 -2.387 -22.366 -4.788 1.00 0.00 O ATOM 598 CB ARG A 38 -5.499 -22.889 -5.005 1.00 0.00 C ATOM 599 CG ARG A 38 -5.834 -24.380 -4.941 1.00 0.00 C ATOM 600 CD ARG A 38 -6.509 -24.698 -3.605 1.00 0.00 C ATOM 601 NE ARG A 38 -7.503 -25.791 -3.798 1.00 0.00 N ATOM 602 CZ ARG A 38 -7.273 -26.976 -3.302 1.00 0.00 C ATOM 603 NH1 ARG A 38 -7.353 -27.169 -2.014 1.00 0.00 N ATOM 604 NH2 ARG A 38 -6.964 -27.967 -4.093 1.00 0.00 N ATOM 0 H ARG A 38 -6.228 -21.320 -3.217 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.254 -23.430 -3.332 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.414 -22.298 -4.962 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.013 -22.655 -5.952 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.493 -24.651 -5.766 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.925 -24.972 -5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.762 -24.997 -2.870 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.002 -23.808 -3.214 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.363 -25.613 -4.317 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.595 -26.394 -1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.174 -28.095 -1.625 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.902 -27.816 -5.100 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.784 -28.893 -3.704 1.00 0.00 H new ATOM 618 N GLY A 39 -3.394 -20.467 -4.343 1.00 0.00 N ATOM 619 CA GLY A 39 -2.232 -19.680 -4.842 1.00 0.00 C ATOM 620 C GLY A 39 -1.092 -19.754 -3.824 1.00 0.00 C ATOM 621 O GLY A 39 0.070 -19.670 -4.171 1.00 0.00 O ATOM 0 H GLY A 39 -4.179 -19.913 -4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.901 -20.071 -5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.524 -18.642 -5.003 1.00 0.00 H new ATOM 625 N GLY A 40 -1.415 -19.912 -2.571 1.00 0.00 N ATOM 626 CA GLY A 40 -0.352 -19.990 -1.531 1.00 0.00 C ATOM 627 C GLY A 40 0.341 -21.351 -1.605 1.00 0.00 C ATOM 628 O GLY A 40 1.395 -21.552 -1.034 1.00 0.00 O ATOM 0 H GLY A 40 -2.370 -19.991 -2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.375 -19.192 -1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.786 -19.845 -0.542 1.00 0.00 H new ATOM 632 N GLU A 41 -0.236 -22.289 -2.304 1.00 0.00 N ATOM 633 CA GLU A 41 0.401 -23.631 -2.407 1.00 0.00 C ATOM 634 C GLU A 41 1.455 -23.616 -3.519 1.00 0.00 C ATOM 635 O GLU A 41 2.479 -24.264 -3.425 1.00 0.00 O ATOM 636 CB GLU A 41 -0.668 -24.688 -2.700 1.00 0.00 C ATOM 637 CG GLU A 41 -0.963 -24.756 -4.203 1.00 0.00 C ATOM 638 CD GLU A 41 -2.396 -25.246 -4.420 1.00 0.00 C ATOM 639 OE1 GLU A 41 -3.123 -25.341 -3.445 1.00 0.00 O ATOM 640 OE2 GLU A 41 -2.741 -25.521 -5.558 1.00 0.00 O ATOM 0 H GLU A 41 -1.118 -22.185 -2.806 1.00 0.00 H new ATOM 0 HA GLU A 41 0.888 -23.877 -1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.330 -25.662 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.581 -24.450 -2.155 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.831 -23.773 -4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.259 -25.429 -4.693 1.00 0.00 H new ATOM 647 N LEU A 42 1.212 -22.884 -4.572 1.00 0.00 N ATOM 648 CA LEU A 42 2.196 -22.829 -5.685 1.00 0.00 C ATOM 649 C LEU A 42 3.274 -21.792 -5.359 1.00 0.00 C ATOM 650 O LEU A 42 4.420 -21.931 -5.740 1.00 0.00 O ATOM 651 CB LEU A 42 1.477 -22.430 -6.974 1.00 0.00 C ATOM 652 CG LEU A 42 0.851 -23.669 -7.618 1.00 0.00 C ATOM 653 CD1 LEU A 42 0.250 -23.290 -8.973 1.00 0.00 C ATOM 654 CD2 LEU A 42 1.927 -24.738 -7.821 1.00 0.00 C ATOM 0 H LEU A 42 0.372 -22.321 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 42 2.660 -23.807 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.705 -21.691 -6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.180 -21.964 -7.665 1.00 0.00 H new ATOM 0 HG LEU A 42 0.068 -24.059 -6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.196 -24.172 -9.433 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.516 -22.528 -8.831 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.034 -22.900 -9.622 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.481 -25.621 -8.280 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.710 -24.347 -8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.358 -25.009 -6.857 1.00 0.00 H new ATOM 666 N TRP A 43 2.914 -20.753 -4.657 1.00 0.00 N ATOM 667 CA TRP A 43 3.915 -19.706 -4.305 1.00 0.00 C ATOM 668 C TRP A 43 4.901 -20.270 -3.281 1.00 0.00 C ATOM 669 O TRP A 43 5.937 -19.692 -3.019 1.00 0.00 O ATOM 670 CB TRP A 43 3.198 -18.502 -3.697 1.00 0.00 C ATOM 671 CG TRP A 43 4.216 -17.533 -3.190 1.00 0.00 C ATOM 672 CD1 TRP A 43 4.637 -17.447 -1.908 1.00 0.00 C ATOM 673 CD2 TRP A 43 4.952 -16.521 -3.932 1.00 0.00 C ATOM 674 NE1 TRP A 43 5.585 -16.444 -1.816 1.00 0.00 N ATOM 675 CE2 TRP A 43 5.814 -15.843 -3.038 1.00 0.00 C ATOM 676 CE3 TRP A 43 4.954 -16.129 -5.282 1.00 0.00 C ATOM 677 CZ2 TRP A 43 6.651 -14.812 -3.470 1.00 0.00 C ATOM 678 CZ3 TRP A 43 5.794 -15.093 -5.720 1.00 0.00 C ATOM 679 CH2 TRP A 43 6.641 -14.436 -4.815 1.00 0.00 C ATOM 0 H TRP A 43 1.969 -20.583 -4.312 1.00 0.00 H new ATOM 0 HA TRP A 43 4.451 -19.400 -5.203 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.564 -18.025 -4.444 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.547 -18.823 -2.884 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.290 -18.061 -1.090 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.057 -16.180 -0.951 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.305 -16.628 -5.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.301 -14.309 -2.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.788 -14.800 -6.760 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.285 -13.640 -5.158 1.00 0.00 H new ATOM 690 N ARG A 44 4.587 -21.394 -2.698 1.00 0.00 N ATOM 691 CA ARG A 44 5.504 -21.991 -1.689 1.00 0.00 C ATOM 692 C ARG A 44 6.823 -22.368 -2.363 1.00 0.00 C ATOM 693 O ARG A 44 7.862 -21.812 -2.069 1.00 0.00 O ATOM 694 CB ARG A 44 4.857 -23.240 -1.089 1.00 0.00 C ATOM 695 CG ARG A 44 3.912 -22.831 0.042 1.00 0.00 C ATOM 696 CD ARG A 44 4.691 -22.766 1.357 1.00 0.00 C ATOM 697 NE ARG A 44 4.427 -23.999 2.154 1.00 0.00 N ATOM 698 CZ ARG A 44 4.507 -23.963 3.456 1.00 0.00 C ATOM 699 NH1 ARG A 44 3.825 -23.076 4.127 1.00 0.00 N ATOM 700 NH2 ARG A 44 5.267 -24.816 4.087 1.00 0.00 N ATOM 0 H ARG A 44 3.734 -21.924 -2.877 1.00 0.00 H new ATOM 0 HA ARG A 44 5.696 -21.268 -0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.308 -23.783 -1.858 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.625 -23.914 -0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.464 -21.862 -0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.095 -23.548 0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.758 -22.672 1.155 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.395 -21.883 1.924 1.00 0.00 H new ATOM 0 HE ARG A 44 4.184 -24.870 1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.229 -22.411 3.634 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.887 -23.048 5.145 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.798 -25.511 3.562 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.330 -24.788 5.105 1.00 0.00 H new ATOM 714 N ALA A 45 6.790 -23.301 -3.273 1.00 0.00 N ATOM 715 CA ALA A 45 8.047 -23.697 -3.970 1.00 0.00 C ATOM 716 C ALA A 45 8.662 -22.458 -4.616 1.00 0.00 C ATOM 717 O ALA A 45 9.858 -22.374 -4.809 1.00 0.00 O ATOM 718 CB ALA A 45 7.734 -24.736 -5.048 1.00 0.00 C ATOM 0 H ALA A 45 5.952 -23.805 -3.564 1.00 0.00 H new ATOM 0 HA ALA A 45 8.746 -24.128 -3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.655 -25.023 -5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.285 -25.615 -4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.039 -24.311 -5.772 1.00 0.00 H new ATOM 724 N MET A 46 7.835 -21.499 -4.954 1.00 0.00 N ATOM 725 CA MET A 46 8.324 -20.237 -5.595 1.00 0.00 C ATOM 726 C MET A 46 9.736 -19.866 -5.118 1.00 0.00 C ATOM 727 O MET A 46 10.512 -19.335 -5.879 1.00 0.00 O ATOM 728 CB MET A 46 7.379 -19.101 -5.228 1.00 0.00 C ATOM 729 CG MET A 46 7.629 -17.917 -6.160 1.00 0.00 C ATOM 730 SD MET A 46 7.287 -18.414 -7.866 1.00 0.00 S ATOM 731 CE MET A 46 5.981 -17.209 -8.198 1.00 0.00 C ATOM 0 H MET A 46 6.826 -21.538 -4.811 1.00 0.00 H new ATOM 0 HA MET A 46 8.355 -20.396 -6.673 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.344 -19.432 -5.311 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.536 -18.802 -4.191 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.992 -17.078 -5.879 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.661 -17.579 -6.068 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.753 -17.204 -9.264 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.086 -17.478 -7.637 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.315 -16.217 -7.894 1.00 0.00 H new ATOM 741 N LYS A 47 10.061 -20.159 -3.876 1.00 0.00 N ATOM 742 CA LYS A 47 11.406 -19.866 -3.299 1.00 0.00 C ATOM 743 C LYS A 47 12.166 -18.774 -4.068 1.00 0.00 C ATOM 744 O LYS A 47 12.267 -17.652 -3.614 1.00 0.00 O ATOM 745 CB LYS A 47 12.171 -21.169 -3.310 1.00 0.00 C ATOM 746 CG LYS A 47 13.133 -21.219 -2.122 1.00 0.00 C ATOM 747 CD LYS A 47 14.366 -22.046 -2.495 1.00 0.00 C ATOM 748 CE LYS A 47 14.206 -23.472 -1.963 1.00 0.00 C ATOM 749 NZ LYS A 47 15.551 -24.080 -1.759 1.00 0.00 N ATOM 0 H LYS A 47 9.420 -20.606 -3.220 1.00 0.00 H new ATOM 0 HA LYS A 47 11.293 -19.473 -2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.477 -22.008 -3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.726 -21.267 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.431 -20.209 -1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.636 -21.658 -1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.492 -22.063 -3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.263 -21.589 -2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.654 -23.461 -1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.627 -24.071 -2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.443 -25.049 -1.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.062 -24.103 -2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.088 -23.512 -1.073 1.00 0.00 H new ATOM 763 N ASP A 48 12.703 -19.080 -5.217 1.00 0.00 N ATOM 764 CA ASP A 48 13.447 -18.039 -5.979 1.00 0.00 C ATOM 765 C ASP A 48 12.444 -17.109 -6.666 1.00 0.00 C ATOM 766 O ASP A 48 12.041 -17.333 -7.790 1.00 0.00 O ATOM 767 CB ASP A 48 14.330 -18.709 -7.034 1.00 0.00 C ATOM 768 CG ASP A 48 15.303 -19.672 -6.351 1.00 0.00 C ATOM 769 OD1 ASP A 48 14.895 -20.780 -6.047 1.00 0.00 O ATOM 770 OD2 ASP A 48 16.441 -19.284 -6.145 1.00 0.00 O ATOM 0 H ASP A 48 12.659 -19.999 -5.658 1.00 0.00 H new ATOM 0 HA ASP A 48 14.075 -17.464 -5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.712 -19.249 -7.751 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.882 -17.954 -7.594 1.00 0.00 H new ATOM 775 N LYS A 49 12.037 -16.066 -5.990 1.00 0.00 N ATOM 776 CA LYS A 49 11.059 -15.110 -6.588 1.00 0.00 C ATOM 777 C LYS A 49 11.812 -13.893 -7.130 1.00 0.00 C ATOM 778 O LYS A 49 11.231 -12.862 -7.398 1.00 0.00 O ATOM 779 CB LYS A 49 10.071 -14.657 -5.509 1.00 0.00 C ATOM 780 CG LYS A 49 9.592 -15.873 -4.713 1.00 0.00 C ATOM 781 CD LYS A 49 9.914 -15.676 -3.230 1.00 0.00 C ATOM 782 CE LYS A 49 9.381 -16.868 -2.431 1.00 0.00 C ATOM 783 NZ LYS A 49 9.161 -16.460 -1.016 1.00 0.00 N ATOM 0 H LYS A 49 12.342 -15.835 -5.045 1.00 0.00 H new ATOM 0 HA LYS A 49 10.517 -15.596 -7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.548 -13.938 -4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.221 -14.152 -5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.519 -16.008 -4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.076 -16.776 -5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.991 -15.582 -3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.464 -14.751 -2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.448 -17.223 -2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.089 -17.695 -2.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.799 -17.270 -0.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.060 -16.141 -0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.470 -15.684 -0.982 1.00 0.00 H new ATOM 797 N SER A 50 13.102 -14.007 -7.294 1.00 0.00 N ATOM 798 CA SER A 50 13.892 -12.856 -7.817 1.00 0.00 C ATOM 799 C SER A 50 13.150 -12.215 -8.993 1.00 0.00 C ATOM 800 O SER A 50 13.308 -11.042 -9.273 1.00 0.00 O ATOM 801 CB SER A 50 15.262 -13.349 -8.285 1.00 0.00 C ATOM 802 OG SER A 50 16.081 -12.230 -8.598 1.00 0.00 O ATOM 0 H SER A 50 13.643 -14.847 -7.089 1.00 0.00 H new ATOM 0 HA SER A 50 14.022 -12.117 -7.026 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.730 -13.951 -7.506 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.152 -13.990 -9.160 1.00 0.00 H new ATOM 0 HG SER A 50 16.961 -12.542 -8.897 1.00 0.00 H new ATOM 808 N GLU A 51 12.335 -12.969 -9.678 1.00 0.00 N ATOM 809 CA GLU A 51 11.580 -12.404 -10.824 1.00 0.00 C ATOM 810 C GLU A 51 10.663 -11.292 -10.330 1.00 0.00 C ATOM 811 O GLU A 51 10.847 -10.129 -10.636 1.00 0.00 O ATOM 812 CB GLU A 51 10.747 -13.493 -11.454 1.00 0.00 C ATOM 813 CG GLU A 51 11.577 -14.771 -11.577 1.00 0.00 C ATOM 814 CD GLU A 51 11.187 -15.746 -10.468 1.00 0.00 C ATOM 815 OE1 GLU A 51 10.000 -15.898 -10.229 1.00 0.00 O ATOM 816 OE2 GLU A 51 12.082 -16.324 -9.876 1.00 0.00 O ATOM 0 H GLU A 51 12.161 -13.956 -9.490 1.00 0.00 H new ATOM 0 HA GLU A 51 12.278 -12.001 -11.558 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.860 -13.681 -10.850 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.401 -13.176 -12.438 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.414 -15.230 -12.552 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.639 -14.534 -11.510 1.00 0.00 H new ATOM 823 N TRP A 52 9.677 -11.643 -9.559 1.00 0.00 N ATOM 824 CA TRP A 52 8.743 -10.620 -9.034 1.00 0.00 C ATOM 825 C TRP A 52 9.492 -9.699 -8.089 1.00 0.00 C ATOM 826 O TRP A 52 9.523 -8.510 -8.282 1.00 0.00 O ATOM 827 CB TRP A 52 7.627 -11.307 -8.268 1.00 0.00 C ATOM 828 CG TRP A 52 7.095 -12.417 -9.080 1.00 0.00 C ATOM 829 CD1 TRP A 52 7.422 -13.693 -8.905 1.00 0.00 C ATOM 830 CD2 TRP A 52 6.154 -12.368 -10.178 1.00 0.00 C ATOM 831 NE1 TRP A 52 6.732 -14.463 -9.822 1.00 0.00 N ATOM 832 CE2 TRP A 52 5.932 -13.683 -10.636 1.00 0.00 C ATOM 833 CE3 TRP A 52 5.478 -11.319 -10.808 1.00 0.00 C ATOM 834 CZ2 TRP A 52 5.060 -13.948 -11.691 1.00 0.00 C ATOM 835 CZ3 TRP A 52 4.603 -11.573 -11.863 1.00 0.00 C ATOM 836 CH2 TRP A 52 4.390 -12.888 -12.309 1.00 0.00 C ATOM 0 H TRP A 52 9.478 -12.601 -9.269 1.00 0.00 H new ATOM 0 HA TRP A 52 8.327 -10.046 -9.862 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.001 -11.684 -7.316 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.834 -10.595 -8.040 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.115 -14.068 -8.166 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.804 -15.478 -9.890 1.00 0.00 H new ATOM 0 HE3 TRP A 52 5.635 -10.304 -10.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.904 -14.962 -12.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.086 -10.754 -12.340 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.711 -13.079 -13.127 1.00 0.00 H new ATOM 847 N GLU A 53 10.083 -10.248 -7.063 1.00 0.00 N ATOM 848 CA GLU A 53 10.833 -9.404 -6.083 1.00 0.00 C ATOM 849 C GLU A 53 11.523 -8.247 -6.808 1.00 0.00 C ATOM 850 O GLU A 53 11.578 -7.139 -6.312 1.00 0.00 O ATOM 851 CB GLU A 53 11.881 -10.256 -5.365 1.00 0.00 C ATOM 852 CG GLU A 53 11.182 -11.259 -4.444 1.00 0.00 C ATOM 853 CD GLU A 53 11.071 -10.669 -3.036 1.00 0.00 C ATOM 854 OE1 GLU A 53 12.102 -10.481 -2.412 1.00 0.00 O ATOM 855 OE2 GLU A 53 9.957 -10.417 -2.607 1.00 0.00 O ATOM 0 H GLU A 53 10.080 -11.247 -6.859 1.00 0.00 H new ATOM 0 HA GLU A 53 10.131 -9.000 -5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.497 -10.783 -6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.548 -9.618 -4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.190 -11.494 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.742 -12.194 -4.415 1.00 0.00 H new ATOM 862 N ALA A 54 12.031 -8.485 -7.984 1.00 0.00 N ATOM 863 CA ALA A 54 12.690 -7.384 -8.738 1.00 0.00 C ATOM 864 C ALA A 54 11.612 -6.415 -9.224 1.00 0.00 C ATOM 865 O ALA A 54 11.705 -5.217 -9.046 1.00 0.00 O ATOM 866 CB ALA A 54 13.442 -7.961 -9.938 1.00 0.00 C ATOM 0 H ALA A 54 12.019 -9.390 -8.454 1.00 0.00 H new ATOM 0 HA ALA A 54 13.398 -6.862 -8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.924 -7.153 -10.488 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.199 -8.664 -9.589 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.740 -8.478 -10.593 1.00 0.00 H new ATOM 872 N LYS A 55 10.588 -6.938 -9.838 1.00 0.00 N ATOM 873 CA LYS A 55 9.485 -6.072 -10.348 1.00 0.00 C ATOM 874 C LYS A 55 8.931 -5.191 -9.224 1.00 0.00 C ATOM 875 O LYS A 55 8.619 -4.034 -9.429 1.00 0.00 O ATOM 876 CB LYS A 55 8.363 -6.959 -10.890 1.00 0.00 C ATOM 877 CG LYS A 55 7.670 -6.256 -12.058 1.00 0.00 C ATOM 878 CD LYS A 55 6.645 -7.204 -12.683 1.00 0.00 C ATOM 879 CE LYS A 55 5.667 -6.404 -13.545 1.00 0.00 C ATOM 880 NZ LYS A 55 4.415 -7.190 -13.731 1.00 0.00 N ATOM 0 H LYS A 55 10.466 -7.936 -10.010 1.00 0.00 H new ATOM 0 HA LYS A 55 9.875 -5.431 -11.138 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.769 -7.916 -11.218 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.641 -7.172 -10.101 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.178 -5.348 -11.710 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.405 -5.954 -12.804 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.151 -7.954 -13.290 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.104 -7.738 -11.902 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.443 -5.449 -13.069 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.116 -6.181 -14.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.749 -6.648 -14.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.637 -8.090 -14.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.984 -7.381 -12.804 1.00 0.00 H new ATOM 894 N ALA A 56 8.796 -5.723 -8.039 1.00 0.00 N ATOM 895 CA ALA A 56 8.255 -4.909 -6.917 1.00 0.00 C ATOM 896 C ALA A 56 9.231 -3.773 -6.607 1.00 0.00 C ATOM 897 O ALA A 56 8.845 -2.705 -6.174 1.00 0.00 O ATOM 898 CB ALA A 56 8.095 -5.793 -5.678 1.00 0.00 C ATOM 0 H ALA A 56 9.037 -6.685 -7.801 1.00 0.00 H new ATOM 0 HA ALA A 56 7.286 -4.496 -7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.699 -5.198 -4.855 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.407 -6.609 -5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.065 -6.202 -5.395 1.00 0.00 H new ATOM 904 N ALA A 57 10.496 -4.002 -6.829 1.00 0.00 N ATOM 905 CA ALA A 57 11.514 -2.949 -6.553 1.00 0.00 C ATOM 906 C ALA A 57 11.050 -1.618 -7.138 1.00 0.00 C ATOM 907 O ALA A 57 11.145 -0.583 -6.509 1.00 0.00 O ATOM 908 CB ALA A 57 12.834 -3.346 -7.210 1.00 0.00 C ATOM 0 H ALA A 57 10.870 -4.879 -7.192 1.00 0.00 H new ATOM 0 HA ALA A 57 11.646 -2.847 -5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.584 -2.580 -7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.172 -4.298 -6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.690 -3.443 -8.286 1.00 0.00 H new ATOM 914 N LYS A 58 10.559 -1.636 -8.344 1.00 0.00 N ATOM 915 CA LYS A 58 10.094 -0.370 -8.978 1.00 0.00 C ATOM 916 C LYS A 58 9.191 0.394 -8.005 1.00 0.00 C ATOM 917 O LYS A 58 9.494 1.503 -7.611 1.00 0.00 O ATOM 918 CB LYS A 58 9.316 -0.693 -10.256 1.00 0.00 C ATOM 919 CG LYS A 58 9.596 0.381 -11.310 1.00 0.00 C ATOM 920 CD LYS A 58 8.895 0.008 -12.618 1.00 0.00 C ATOM 921 CE LYS A 58 9.553 0.754 -13.781 1.00 0.00 C ATOM 922 NZ LYS A 58 9.872 -0.210 -14.873 1.00 0.00 N ATOM 0 H LYS A 58 10.459 -2.472 -8.919 1.00 0.00 H new ATOM 0 HA LYS A 58 10.957 0.247 -9.226 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.607 -1.673 -10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.248 -0.738 -10.043 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.242 1.351 -10.959 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.670 0.473 -11.474 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.956 -1.068 -12.781 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.837 0.263 -12.561 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.886 1.532 -14.152 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.463 1.249 -13.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.319 0.297 -15.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.524 -0.937 -14.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.996 -0.663 -15.203 1.00 0.00 H new ATOM 936 N ALA A 59 8.085 -0.181 -7.610 1.00 0.00 N ATOM 937 CA ALA A 59 7.182 0.536 -6.663 1.00 0.00 C ATOM 938 C ALA A 59 7.998 1.022 -5.469 1.00 0.00 C ATOM 939 O ALA A 59 7.690 2.025 -4.861 1.00 0.00 O ATOM 940 CB ALA A 59 6.082 -0.410 -6.171 1.00 0.00 C ATOM 0 H ALA A 59 7.770 -1.107 -7.899 1.00 0.00 H new ATOM 0 HA ALA A 59 6.723 1.383 -7.173 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.427 0.121 -5.480 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.500 -0.765 -7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.535 -1.260 -5.661 1.00 0.00 H new ATOM 946 N LYS A 60 9.040 0.319 -5.136 1.00 0.00 N ATOM 947 CA LYS A 60 9.889 0.725 -3.992 1.00 0.00 C ATOM 948 C LYS A 60 10.453 2.115 -4.249 1.00 0.00 C ATOM 949 O LYS A 60 10.281 3.020 -3.465 1.00 0.00 O ATOM 950 CB LYS A 60 11.041 -0.261 -3.882 1.00 0.00 C ATOM 951 CG LYS A 60 11.236 -0.675 -2.422 1.00 0.00 C ATOM 952 CD LYS A 60 10.098 -1.605 -2.000 1.00 0.00 C ATOM 953 CE LYS A 60 10.179 -1.866 -0.494 1.00 0.00 C ATOM 954 NZ LYS A 60 8.898 -2.465 -0.026 1.00 0.00 N ATOM 0 H LYS A 60 9.341 -0.530 -5.615 1.00 0.00 H new ATOM 0 HA LYS A 60 9.302 0.735 -3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.838 -1.140 -4.494 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.956 0.191 -4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.195 -1.178 -2.300 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.255 0.207 -1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.137 -1.156 -2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.162 -2.546 -2.546 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.009 -2.538 -0.274 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.373 -0.935 0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.951 -2.643 0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.116 -1.809 -0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.731 -3.362 -0.525 1.00 0.00 H new ATOM 968 N ASP A 61 11.141 2.279 -5.339 1.00 0.00 N ATOM 969 CA ASP A 61 11.737 3.609 -5.655 1.00 0.00 C ATOM 970 C ASP A 61 10.638 4.673 -5.742 1.00 0.00 C ATOM 971 O ASP A 61 10.744 5.736 -5.164 1.00 0.00 O ATOM 972 CB ASP A 61 12.473 3.533 -6.994 1.00 0.00 C ATOM 973 CG ASP A 61 13.981 3.625 -6.755 1.00 0.00 C ATOM 974 OD1 ASP A 61 14.373 4.320 -5.831 1.00 0.00 O ATOM 975 OD2 ASP A 61 14.718 3.000 -7.499 1.00 0.00 O ATOM 0 H ASP A 61 11.319 1.549 -6.029 1.00 0.00 H new ATOM 0 HA ASP A 61 12.436 3.880 -4.864 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.231 2.599 -7.501 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.148 4.343 -7.646 1.00 0.00 H new ATOM 980 N ASP A 62 9.589 4.401 -6.466 1.00 0.00 N ATOM 981 CA ASP A 62 8.492 5.402 -6.598 1.00 0.00 C ATOM 982 C ASP A 62 7.709 5.492 -5.286 1.00 0.00 C ATOM 983 O ASP A 62 6.891 6.369 -5.096 1.00 0.00 O ATOM 984 CB ASP A 62 7.550 4.961 -7.717 1.00 0.00 C ATOM 985 CG ASP A 62 8.216 5.215 -9.071 1.00 0.00 C ATOM 986 OD1 ASP A 62 9.370 4.847 -9.219 1.00 0.00 O ATOM 987 OD2 ASP A 62 7.563 5.776 -9.936 1.00 0.00 O ATOM 0 H ASP A 62 9.443 3.528 -6.973 1.00 0.00 H new ATOM 0 HA ASP A 62 8.917 6.379 -6.829 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.310 3.903 -7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.610 5.509 -7.653 1.00 0.00 H new ATOM 992 N TYR A 63 7.947 4.581 -4.387 1.00 0.00 N ATOM 993 CA TYR A 63 7.214 4.590 -3.093 1.00 0.00 C ATOM 994 C TYR A 63 7.993 5.382 -2.042 1.00 0.00 C ATOM 995 O TYR A 63 7.413 6.022 -1.191 1.00 0.00 O ATOM 996 CB TYR A 63 7.021 3.146 -2.648 1.00 0.00 C ATOM 997 CG TYR A 63 6.378 3.106 -1.305 1.00 0.00 C ATOM 998 CD1 TYR A 63 7.062 3.539 -0.167 1.00 0.00 C ATOM 999 CD2 TYR A 63 5.102 2.599 -1.204 1.00 0.00 C ATOM 1000 CE1 TYR A 63 6.441 3.462 1.080 1.00 0.00 C ATOM 1001 CE2 TYR A 63 4.482 2.511 0.030 1.00 0.00 C ATOM 1002 CZ TYR A 63 5.144 2.946 1.182 1.00 0.00 C ATOM 1003 OH TYR A 63 4.526 2.858 2.412 1.00 0.00 O ATOM 0 H TYR A 63 8.623 3.825 -4.494 1.00 0.00 H new ATOM 0 HA TYR A 63 6.244 5.073 -3.214 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.403 2.614 -3.371 1.00 0.00 H new ATOM 0 HB3 TYR A 63 7.984 2.636 -2.614 1.00 0.00 H new ATOM 0 HD1 TYR A 63 8.065 3.931 -0.252 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.583 2.269 -2.091 1.00 0.00 H new ATOM 0 HE1 TYR A 63 6.960 3.800 1.965 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.484 2.105 0.103 1.00 0.00 H new ATOM 0 HH TYR A 63 3.629 2.478 2.301 1.00 0.00 H new ATOM 1013 N ASP A 64 9.292 5.358 -2.087 1.00 0.00 N ATOM 1014 CA ASP A 64 10.078 6.119 -1.084 1.00 0.00 C ATOM 1015 C ASP A 64 10.153 7.574 -1.519 1.00 0.00 C ATOM 1016 O ASP A 64 10.184 8.484 -0.714 1.00 0.00 O ATOM 1017 CB ASP A 64 11.473 5.541 -0.998 1.00 0.00 C ATOM 1018 CG ASP A 64 12.045 5.780 0.400 1.00 0.00 C ATOM 1019 OD1 ASP A 64 11.313 5.596 1.358 1.00 0.00 O ATOM 1020 OD2 ASP A 64 13.208 6.140 0.490 1.00 0.00 O ATOM 0 H ASP A 64 9.843 4.845 -2.775 1.00 0.00 H new ATOM 0 HA ASP A 64 9.600 6.052 -0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.448 4.473 -1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.115 6.003 -1.748 1.00 0.00 H new ATOM 1025 N ARG A 65 10.186 7.791 -2.799 1.00 0.00 N ATOM 1026 CA ARG A 65 10.263 9.179 -3.327 1.00 0.00 C ATOM 1027 C ARG A 65 8.876 9.826 -3.300 1.00 0.00 C ATOM 1028 O ARG A 65 8.737 11.009 -3.061 1.00 0.00 O ATOM 1029 CB ARG A 65 10.768 9.139 -4.768 1.00 0.00 C ATOM 1030 CG ARG A 65 11.115 10.556 -5.229 1.00 0.00 C ATOM 1031 CD ARG A 65 11.943 10.485 -6.513 1.00 0.00 C ATOM 1032 NE ARG A 65 12.284 11.865 -6.961 1.00 0.00 N ATOM 1033 CZ ARG A 65 11.386 12.594 -7.563 1.00 0.00 C ATOM 1034 NH1 ARG A 65 11.207 12.477 -8.850 1.00 0.00 N ATOM 1035 NH2 ARG A 65 10.667 13.440 -6.878 1.00 0.00 N ATOM 0 H ARG A 65 10.163 7.060 -3.510 1.00 0.00 H new ATOM 0 HA ARG A 65 10.944 9.762 -2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.646 8.497 -4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.006 8.710 -5.419 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.203 11.127 -5.403 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.674 11.076 -4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.854 9.912 -6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.383 9.966 -7.291 1.00 0.00 H new ATOM 0 HE ARG A 65 13.219 12.239 -6.797 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.769 11.815 -9.385 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.505 13.047 -9.321 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.807 13.531 -5.872 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.964 14.010 -7.349 1.00 0.00 H new ATOM 1049 N ALA A 66 7.850 9.066 -3.563 1.00 0.00 N ATOM 1050 CA ALA A 66 6.475 9.645 -3.571 1.00 0.00 C ATOM 1051 C ALA A 66 5.958 9.817 -2.143 1.00 0.00 C ATOM 1052 O ALA A 66 5.168 10.695 -1.881 1.00 0.00 O ATOM 1053 CB ALA A 66 5.536 8.724 -4.350 1.00 0.00 C ATOM 0 H ALA A 66 7.903 8.069 -3.773 1.00 0.00 H new ATOM 0 HA ALA A 66 6.509 10.623 -4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.532 9.148 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.893 8.624 -5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.513 7.743 -3.876 1.00 0.00 H new ATOM 1059 N VAL A 67 6.387 9.009 -1.214 1.00 0.00 N ATOM 1060 CA VAL A 67 5.891 9.191 0.172 1.00 0.00 C ATOM 1061 C VAL A 67 6.367 10.541 0.682 1.00 0.00 C ATOM 1062 O VAL A 67 5.692 11.202 1.427 1.00 0.00 O ATOM 1063 CB VAL A 67 6.429 8.122 1.088 1.00 0.00 C ATOM 1064 CG1 VAL A 67 5.871 6.760 0.694 1.00 0.00 C ATOM 1065 CG2 VAL A 67 7.930 8.139 0.990 1.00 0.00 C ATOM 0 H VAL A 67 7.048 8.244 -1.353 1.00 0.00 H new ATOM 0 HA VAL A 67 4.803 9.130 0.162 1.00 0.00 H new ATOM 0 HB VAL A 67 6.126 8.313 2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.268 5.997 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.784 6.777 0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.162 6.530 -0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.346 7.373 1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.230 7.939 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.303 9.117 1.293 1.00 0.00 H new ATOM 1075 N LYS A 68 7.539 10.947 0.284 1.00 0.00 N ATOM 1076 CA LYS A 68 8.074 12.266 0.736 1.00 0.00 C ATOM 1077 C LYS A 68 7.100 13.365 0.303 1.00 0.00 C ATOM 1078 O LYS A 68 6.638 14.148 1.105 1.00 0.00 O ATOM 1079 CB LYS A 68 9.445 12.513 0.099 1.00 0.00 C ATOM 1080 CG LYS A 68 10.494 12.684 1.201 1.00 0.00 C ATOM 1081 CD LYS A 68 10.406 14.101 1.774 1.00 0.00 C ATOM 1082 CE LYS A 68 11.039 14.130 3.167 1.00 0.00 C ATOM 1083 NZ LYS A 68 10.035 14.611 4.159 1.00 0.00 N ATOM 0 H LYS A 68 8.154 10.422 -0.338 1.00 0.00 H new ATOM 0 HA LYS A 68 8.182 12.270 1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.714 11.678 -0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.412 13.404 -0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.331 11.950 1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.491 12.504 0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.918 14.803 1.116 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.365 14.418 1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.388 13.134 3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.910 14.785 3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.465 14.631 5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.723 15.569 3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.217 13.969 4.164 1.00 0.00 H new ATOM 1097 N GLU A 69 6.768 13.408 -0.960 1.00 0.00 N ATOM 1098 CA GLU A 69 5.799 14.428 -1.451 1.00 0.00 C ATOM 1099 C GLU A 69 4.492 14.234 -0.683 1.00 0.00 C ATOM 1100 O GLU A 69 3.779 15.161 -0.352 1.00 0.00 O ATOM 1101 CB GLU A 69 5.549 14.181 -2.941 1.00 0.00 C ATOM 1102 CG GLU A 69 6.268 15.251 -3.766 1.00 0.00 C ATOM 1103 CD GLU A 69 5.581 15.398 -5.125 1.00 0.00 C ATOM 1104 OE1 GLU A 69 4.898 14.469 -5.523 1.00 0.00 O ATOM 1105 OE2 GLU A 69 5.749 16.436 -5.742 1.00 0.00 O ATOM 0 H GLU A 69 7.129 12.777 -1.675 1.00 0.00 H new ATOM 0 HA GLU A 69 6.181 15.438 -1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.907 13.190 -3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.479 14.204 -3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.255 16.203 -3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.314 14.977 -3.904 1.00 0.00 H new ATOM 1112 N PHE A 70 4.214 13.002 -0.406 1.00 0.00 N ATOM 1113 CA PHE A 70 2.998 12.589 0.343 1.00 0.00 C ATOM 1114 C PHE A 70 3.092 13.027 1.804 1.00 0.00 C ATOM 1115 O PHE A 70 2.098 13.234 2.470 1.00 0.00 O ATOM 1116 CB PHE A 70 2.979 11.084 0.307 1.00 0.00 C ATOM 1117 CG PHE A 70 2.156 10.576 1.428 1.00 0.00 C ATOM 1118 CD1 PHE A 70 0.787 10.546 1.287 1.00 0.00 C ATOM 1119 CD2 PHE A 70 2.773 10.168 2.603 1.00 0.00 C ATOM 1120 CE1 PHE A 70 -0.008 10.093 2.333 1.00 0.00 C ATOM 1121 CE2 PHE A 70 1.988 9.708 3.666 1.00 0.00 C ATOM 1122 CZ PHE A 70 0.591 9.669 3.531 1.00 0.00 C ATOM 0 H PHE A 70 4.810 12.221 -0.681 1.00 0.00 H new ATOM 0 HA PHE A 70 2.107 13.036 -0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.573 10.737 -0.643 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.994 10.695 0.381 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.331 10.874 0.364 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.848 10.205 2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.082 10.067 2.225 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.454 9.385 4.585 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.022 9.314 4.346 1.00 0.00 H new ATOM 1132 N GLU A 71 4.278 13.126 2.306 1.00 0.00 N ATOM 1133 CA GLU A 71 4.448 13.502 3.728 1.00 0.00 C ATOM 1134 C GLU A 71 4.615 15.012 3.808 1.00 0.00 C ATOM 1135 O GLU A 71 4.531 15.618 4.858 1.00 0.00 O ATOM 1136 CB GLU A 71 5.697 12.819 4.287 1.00 0.00 C ATOM 1137 CG GLU A 71 5.491 11.303 4.291 1.00 0.00 C ATOM 1138 CD GLU A 71 6.044 10.713 5.589 1.00 0.00 C ATOM 1139 OE1 GLU A 71 6.330 11.483 6.492 1.00 0.00 O ATOM 1140 OE2 GLU A 71 6.171 9.502 5.660 1.00 0.00 O ATOM 0 H GLU A 71 5.144 12.962 1.793 1.00 0.00 H new ATOM 0 HA GLU A 71 3.580 13.190 4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.567 13.077 3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.896 13.172 5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.430 11.070 4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.993 10.855 3.433 1.00 0.00 H new ATOM 1147 N ALA A 72 4.870 15.610 2.684 1.00 0.00 N ATOM 1148 CA ALA A 72 5.073 17.070 2.613 1.00 0.00 C ATOM 1149 C ALA A 72 3.750 17.798 2.855 1.00 0.00 C ATOM 1150 O ALA A 72 3.715 18.999 3.033 1.00 0.00 O ATOM 1151 CB ALA A 72 5.590 17.372 1.213 1.00 0.00 C ATOM 0 H ALA A 72 4.948 15.129 1.788 1.00 0.00 H new ATOM 0 HA ALA A 72 5.779 17.405 3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.756 18.444 1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.528 16.842 1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.856 17.046 0.476 1.00 0.00 H new ATOM 1157 N ASN A 73 2.660 17.081 2.868 1.00 0.00 N ATOM 1158 CA ASN A 73 1.342 17.734 3.102 1.00 0.00 C ATOM 1159 C ASN A 73 0.578 16.961 4.178 1.00 0.00 C ATOM 1160 O ASN A 73 -0.098 15.992 3.896 1.00 0.00 O ATOM 1161 CB ASN A 73 0.537 17.739 1.802 1.00 0.00 C ATOM 1162 CG ASN A 73 0.878 18.986 0.995 1.00 0.00 C ATOM 1163 OD1 ASN A 73 2.016 19.406 0.950 1.00 0.00 O ATOM 1164 ND2 ASN A 73 -0.072 19.598 0.350 1.00 0.00 N ATOM 0 H ASN A 73 2.626 16.071 2.727 1.00 0.00 H new ATOM 0 HA ASN A 73 1.496 18.761 3.434 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.761 16.845 1.220 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.530 17.717 2.023 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.138 20.434 -0.196 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.027 19.242 0.390 1.00 0.00 H new ATOM 1171 N GLY A 74 0.680 17.381 5.409 1.00 0.00 N ATOM 1172 CA GLY A 74 -0.040 16.669 6.502 1.00 0.00 C ATOM 1173 C GLY A 74 0.772 15.448 6.938 1.00 0.00 C ATOM 1174 O GLY A 74 1.555 15.581 7.864 1.00 0.00 O ATOM 1175 OXT GLY A 74 0.598 14.399 6.338 1.00 0.00 O ATOM 0 H GLY A 74 1.231 18.187 5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.192 17.339 7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.027 16.359 6.160 1.00 0.00 H new TER 1179 GLY A 74