USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 682 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 65 TYR OH : rot 36:sc= 1.36 USER MOD Set 1.2: A 69 ASN : amide:sc= 0.611 K(o=2,f=0.96) USER MOD Single : A 1 SER N :NH3+ -169:sc= 1.21 (180deg=0.985) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -173:sc=-0.00735 (180deg=-0.0719) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot -83:sc= 0.0149 USER MOD Single : A 15 SER OG : rot -38:sc= 0.0961 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 168:sc= -0.029 (180deg=-0.204) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -2.09! K(o=-2.1!,f=-3.9) USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= -0.0179 (180deg=-0.199) USER MOD Single : A 33 MET CE :methyl 156:sc= -1.43 (180deg=-3.27!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.176 USER MOD Single : A 42 SER OG : rot 100:sc= 1.28 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.131 K(o=-0.13,f=-0.72) USER MOD Single : A 49 HIS : no HE2:sc= -0.6 X(o=-0.6,f=-0.58) USER MOD Single : A 52 HIS : no HD1:sc= -0.77 X(o=-0.77,f=-0.49) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 56 GLN : amide:sc= 0.395 K(o=0.4,f=-9.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 172:sc= 0.0319 USER MOD Single : A 59 LYS NZ :NH3+ 130:sc=-0.00404 (180deg=-0.0573) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc=-0.00335 (180deg=-0.0688) USER MOD Single : A 66 ASN : amide:sc= 1.19 K(o=1.2,f=-0.096) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= -0.0213 (180deg=-0.204) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.279 -9.580 -5.693 1.00 33.21 N ATOM 2 CA SER A 1 17.372 -8.215 -6.099 1.00 35.34 C ATOM 3 C SER A 1 16.162 -7.450 -5.597 1.00 30.31 C ATOM 4 O SER A 1 15.029 -7.721 -6.010 1.00 51.04 O ATOM 5 CB SER A 1 17.429 -8.154 -7.615 1.00 21.01 C ATOM 6 OG SER A 1 18.508 -8.938 -8.125 1.00 42.11 O ATOM 0 H1 SER A 1 18.185 -10.058 -5.872 1.00 33.21 H new ATOM 0 H2 SER A 1 17.058 -9.626 -4.678 1.00 33.21 H new ATOM 0 H3 SER A 1 16.526 -10.052 -6.233 1.00 33.21 H new ATOM 0 HA SER A 1 18.273 -7.765 -5.681 1.00 35.34 H new ATOM 0 HB2 SER A 1 16.488 -8.512 -8.031 1.00 21.01 H new ATOM 0 HB3 SER A 1 17.546 -7.119 -7.935 1.00 21.01 H new ATOM 0 HG SER A 1 18.519 -8.882 -9.103 1.00 42.11 H new ATOM 12 N LYS A 2 16.366 -6.543 -4.683 1.00 60.24 N ATOM 13 CA LYS A 2 15.259 -5.769 -4.182 1.00 5.03 C ATOM 14 C LYS A 2 15.325 -4.326 -4.641 1.00 24.24 C ATOM 15 O LYS A 2 16.387 -3.690 -4.621 1.00 50.04 O ATOM 16 CB LYS A 2 15.136 -5.848 -2.644 1.00 42.13 C ATOM 17 CG LYS A 2 16.335 -5.322 -1.873 1.00 31.13 C ATOM 18 CD LYS A 2 16.069 -5.334 -0.380 1.00 42.21 C ATOM 19 CE LYS A 2 17.245 -4.769 0.390 1.00 65.21 C ATOM 20 NZ LYS A 2 16.970 -4.671 1.841 1.00 54.51 N ATOM 0 H LYS A 2 17.273 -6.321 -4.273 1.00 60.24 H new ATOM 0 HA LYS A 2 14.360 -6.216 -4.606 1.00 5.03 H new ATOM 0 HB2 LYS A 2 14.252 -5.289 -2.337 1.00 42.13 H new ATOM 0 HB3 LYS A 2 14.970 -6.887 -2.361 1.00 42.13 H new ATOM 0 HG2 LYS A 2 17.211 -5.932 -2.095 1.00 31.13 H new ATOM 0 HG3 LYS A 2 16.563 -4.307 -2.197 1.00 31.13 H new ATOM 0 HD2 LYS A 2 15.174 -4.751 -0.163 1.00 42.21 H new ATOM 0 HD3 LYS A 2 15.872 -6.354 -0.051 1.00 42.21 H new ATOM 0 HE2 LYS A 2 18.119 -5.401 0.230 1.00 65.21 H new ATOM 0 HE3 LYS A 2 17.490 -3.781 0.001 1.00 65.21 H new ATOM 0 HZ1 LYS A 2 17.802 -4.280 2.326 1.00 54.51 H new ATOM 0 HZ2 LYS A 2 16.153 -4.048 1.998 1.00 54.51 H new ATOM 0 HZ3 LYS A 2 16.762 -5.617 2.220 1.00 54.51 H new ATOM 34 N CYS A 3 14.216 -3.842 -5.092 1.00 22.03 N ATOM 35 CA CYS A 3 14.067 -2.463 -5.444 1.00 14.24 C ATOM 36 C CYS A 3 13.661 -1.672 -4.226 1.00 42.22 C ATOM 37 O CYS A 3 12.880 -2.153 -3.394 1.00 34.15 O ATOM 38 CB CYS A 3 13.100 -2.312 -6.615 1.00 13.50 C ATOM 39 SG CYS A 3 11.774 -3.569 -6.650 1.00 73.02 S ATOM 0 H CYS A 3 13.373 -4.399 -5.230 1.00 22.03 H new ATOM 0 HA CYS A 3 15.019 -2.057 -5.785 1.00 14.24 H new ATOM 0 HB2 CYS A 3 12.647 -1.322 -6.573 1.00 13.50 H new ATOM 0 HB3 CYS A 3 13.663 -2.366 -7.547 1.00 13.50 H new ATOM 44 N LYS A 4 14.211 -0.488 -4.096 1.00 31.15 N ATOM 45 CA LYS A 4 14.018 0.293 -2.910 1.00 21.43 C ATOM 46 C LYS A 4 12.691 1.032 -2.876 1.00 23.24 C ATOM 47 O LYS A 4 12.349 1.805 -3.776 1.00 61.43 O ATOM 48 CB LYS A 4 15.188 1.263 -2.662 1.00 21.22 C ATOM 49 CG LYS A 4 15.400 2.304 -3.754 1.00 53.54 C ATOM 50 CD LYS A 4 16.513 3.264 -3.392 1.00 52.22 C ATOM 51 CE LYS A 4 16.697 4.345 -4.453 1.00 65.40 C ATOM 52 NZ LYS A 4 17.092 3.801 -5.772 1.00 22.44 N ATOM 0 H LYS A 4 14.798 -0.048 -4.804 1.00 31.15 H new ATOM 0 HA LYS A 4 13.991 -0.430 -2.095 1.00 21.43 H new ATOM 0 HB2 LYS A 4 15.019 1.779 -1.717 1.00 21.22 H new ATOM 0 HB3 LYS A 4 16.104 0.683 -2.550 1.00 21.22 H new ATOM 0 HG2 LYS A 4 15.639 1.805 -4.693 1.00 53.54 H new ATOM 0 HG3 LYS A 4 14.476 2.859 -3.914 1.00 53.54 H new ATOM 0 HD2 LYS A 4 16.292 3.731 -2.432 1.00 52.22 H new ATOM 0 HD3 LYS A 4 17.445 2.711 -3.271 1.00 52.22 H new ATOM 0 HE2 LYS A 4 15.767 4.903 -4.560 1.00 65.40 H new ATOM 0 HE3 LYS A 4 17.455 5.052 -4.116 1.00 65.40 H new ATOM 0 HZ1 LYS A 4 17.317 4.585 -6.418 1.00 22.44 H new ATOM 0 HZ2 LYS A 4 17.929 3.193 -5.660 1.00 22.44 H new ATOM 0 HZ3 LYS A 4 16.308 3.242 -6.166 1.00 22.44 H new ATOM 66 N CYS A 5 11.958 0.751 -1.856 1.00 11.42 N ATOM 67 CA CYS A 5 10.757 1.467 -1.503 1.00 73.44 C ATOM 68 C CYS A 5 10.887 1.859 -0.047 1.00 42.40 C ATOM 69 O CYS A 5 9.937 2.335 0.592 1.00 50.11 O ATOM 70 CB CYS A 5 9.519 0.597 -1.717 1.00 41.12 C ATOM 71 SG CYS A 5 9.123 0.244 -3.462 1.00 23.41 S ATOM 0 H CYS A 5 12.177 -0.010 -1.213 1.00 11.42 H new ATOM 0 HA CYS A 5 10.638 2.348 -2.133 1.00 73.44 H new ATOM 0 HB2 CYS A 5 9.662 -0.348 -1.193 1.00 41.12 H new ATOM 0 HB3 CYS A 5 8.662 1.090 -1.257 1.00 41.12 H new ATOM 76 N SER A 6 12.117 1.684 0.445 1.00 64.14 N ATOM 77 CA SER A 6 12.511 1.878 1.816 1.00 54.01 C ATOM 78 C SER A 6 11.820 0.817 2.697 1.00 51.12 C ATOM 79 O SER A 6 12.385 -0.250 2.946 1.00 21.51 O ATOM 80 CB SER A 6 12.266 3.331 2.292 1.00 70.34 C ATOM 81 OG SER A 6 12.853 3.568 3.558 1.00 15.04 O ATOM 0 H SER A 6 12.895 1.388 -0.145 1.00 64.14 H new ATOM 0 HA SER A 6 13.588 1.736 1.906 1.00 54.01 H new ATOM 0 HB2 SER A 6 12.678 4.028 1.563 1.00 70.34 H new ATOM 0 HB3 SER A 6 11.194 3.522 2.345 1.00 70.34 H new ATOM 0 HG SER A 6 12.682 4.494 3.830 1.00 15.04 H new ATOM 87 N ARG A 7 10.596 1.079 3.089 1.00 23.35 N ATOM 88 CA ARG A 7 9.786 0.130 3.833 1.00 42.22 C ATOM 89 C ARG A 7 8.353 0.275 3.386 1.00 54.15 C ATOM 90 O ARG A 7 7.753 -0.653 2.841 1.00 21.41 O ATOM 91 CB ARG A 7 9.851 0.353 5.364 1.00 53.20 C ATOM 92 CG ARG A 7 11.225 0.212 6.005 1.00 74.51 C ATOM 93 CD ARG A 7 11.126 0.380 7.515 1.00 3.10 C ATOM 94 NE ARG A 7 10.566 1.690 7.886 1.00 31.55 N ATOM 95 CZ ARG A 7 9.867 1.952 9.005 1.00 41.42 C ATOM 96 NH1 ARG A 7 9.626 0.988 9.902 1.00 61.35 N ATOM 97 NH2 ARG A 7 9.409 3.178 9.222 1.00 55.25 N ATOM 0 H ARG A 7 10.125 1.964 2.901 1.00 23.35 H new ATOM 0 HA ARG A 7 10.177 -0.867 3.632 1.00 42.22 H new ATOM 0 HB2 ARG A 7 9.472 1.352 5.581 1.00 53.20 H new ATOM 0 HB3 ARG A 7 9.175 -0.356 5.843 1.00 53.20 H new ATOM 0 HG2 ARG A 7 11.645 -0.765 5.768 1.00 74.51 H new ATOM 0 HG3 ARG A 7 11.904 0.959 5.593 1.00 74.51 H new ATOM 0 HD2 ARG A 7 10.501 -0.412 7.928 1.00 3.10 H new ATOM 0 HD3 ARG A 7 12.116 0.270 7.958 1.00 3.10 H new ATOM 0 HE ARG A 7 10.721 2.464 7.240 1.00 31.55 H new ATOM 0 HH11 ARG A 7 9.974 0.043 9.741 1.00 61.35 H new ATOM 0 HH12 ARG A 7 9.095 1.199 10.747 1.00 61.35 H new ATOM 0 HH21 ARG A 7 9.587 3.917 8.542 1.00 55.25 H new ATOM 0 HH22 ARG A 7 8.878 3.382 10.069 1.00 55.25 H new ATOM 111 N LYS A 8 7.833 1.464 3.607 1.00 32.24 N ATOM 112 CA LYS A 8 6.456 1.816 3.310 1.00 33.53 C ATOM 113 C LYS A 8 6.409 3.225 2.679 1.00 74.23 C ATOM 114 O LYS A 8 5.359 3.687 2.195 1.00 44.42 O ATOM 115 CB LYS A 8 5.673 1.771 4.647 1.00 33.12 C ATOM 116 CG LYS A 8 4.202 2.189 4.614 1.00 41.02 C ATOM 117 CD LYS A 8 3.552 2.019 5.998 1.00 63.42 C ATOM 118 CE LYS A 8 4.250 2.861 7.074 1.00 44.42 C ATOM 119 NZ LYS A 8 3.668 2.651 8.418 1.00 12.13 N ATOM 0 H LYS A 8 8.368 2.234 4.008 1.00 32.24 H new ATOM 0 HA LYS A 8 6.009 1.123 2.597 1.00 33.53 H new ATOM 0 HB2 LYS A 8 5.726 0.754 5.034 1.00 33.12 H new ATOM 0 HB3 LYS A 8 6.190 2.411 5.362 1.00 33.12 H new ATOM 0 HG2 LYS A 8 4.122 3.228 4.295 1.00 41.02 H new ATOM 0 HG3 LYS A 8 3.665 1.588 3.879 1.00 41.02 H new ATOM 0 HD2 LYS A 8 2.501 2.304 5.941 1.00 63.42 H new ATOM 0 HD3 LYS A 8 3.583 0.968 6.285 1.00 63.42 H new ATOM 0 HE2 LYS A 8 5.311 2.610 7.097 1.00 44.42 H new ATOM 0 HE3 LYS A 8 4.177 3.916 6.810 1.00 44.42 H new ATOM 0 HZ1 LYS A 8 4.172 3.241 9.111 1.00 12.13 H new ATOM 0 HZ2 LYS A 8 2.662 2.915 8.406 1.00 12.13 H new ATOM 0 HZ3 LYS A 8 3.760 1.650 8.684 1.00 12.13 H new ATOM 133 N GLY A 9 7.554 3.884 2.670 1.00 14.13 N ATOM 134 CA GLY A 9 7.629 5.232 2.191 1.00 63.51 C ATOM 135 C GLY A 9 7.110 6.173 3.250 1.00 44.33 C ATOM 136 O GLY A 9 7.164 5.830 4.453 1.00 35.54 O ATOM 0 H GLY A 9 8.441 3.497 2.992 1.00 14.13 H new ATOM 0 HA2 GLY A 9 8.660 5.483 1.940 1.00 63.51 H new ATOM 0 HA3 GLY A 9 7.044 5.337 1.277 1.00 63.51 H new ATOM 140 N PRO A 10 6.620 7.366 2.876 1.00 43.05 N ATOM 141 CA PRO A 10 5.976 8.271 3.828 1.00 23.02 C ATOM 142 C PRO A 10 4.801 7.548 4.470 1.00 23.13 C ATOM 143 O PRO A 10 4.126 6.746 3.797 1.00 34.20 O ATOM 144 CB PRO A 10 5.480 9.422 2.945 1.00 34.11 C ATOM 145 CG PRO A 10 6.356 9.375 1.743 1.00 64.32 C ATOM 146 CD PRO A 10 6.676 7.926 1.520 1.00 1.32 C ATOM 0 HA PRO A 10 6.630 8.613 4.630 1.00 23.02 H new ATOM 0 HB2 PRO A 10 4.431 9.293 2.677 1.00 34.11 H new ATOM 0 HB3 PRO A 10 5.562 10.380 3.459 1.00 34.11 H new ATOM 0 HG2 PRO A 10 5.851 9.801 0.876 1.00 64.32 H new ATOM 0 HG3 PRO A 10 7.265 9.956 1.900 1.00 64.32 H new ATOM 0 HD2 PRO A 10 5.954 7.450 0.856 1.00 1.32 H new ATOM 0 HD3 PRO A 10 7.659 7.794 1.069 1.00 1.32 H new ATOM 154 N LYS A 11 4.547 7.818 5.735 1.00 14.30 N ATOM 155 CA LYS A 11 3.541 7.084 6.477 1.00 0.05 C ATOM 156 C LYS A 11 2.158 7.282 5.881 1.00 1.24 C ATOM 157 O LYS A 11 1.625 8.394 5.823 1.00 61.34 O ATOM 158 CB LYS A 11 3.558 7.454 7.965 1.00 24.20 C ATOM 159 CG LYS A 11 2.561 6.662 8.804 1.00 42.02 C ATOM 160 CD LYS A 11 2.631 7.051 10.265 1.00 15.11 C ATOM 161 CE LYS A 11 1.631 6.266 11.101 1.00 53.31 C ATOM 162 NZ LYS A 11 1.702 6.632 12.529 1.00 22.13 N ATOM 0 H LYS A 11 5.025 8.542 6.272 1.00 14.30 H new ATOM 0 HA LYS A 11 3.789 6.026 6.397 1.00 0.05 H new ATOM 0 HB2 LYS A 11 4.561 7.292 8.359 1.00 24.20 H new ATOM 0 HB3 LYS A 11 3.343 8.518 8.069 1.00 24.20 H new ATOM 0 HG2 LYS A 11 1.552 6.833 8.429 1.00 42.02 H new ATOM 0 HG3 LYS A 11 2.763 5.596 8.700 1.00 42.02 H new ATOM 0 HD2 LYS A 11 3.639 6.875 10.641 1.00 15.11 H new ATOM 0 HD3 LYS A 11 2.434 8.118 10.368 1.00 15.11 H new ATOM 0 HE2 LYS A 11 0.623 6.449 10.729 1.00 53.31 H new ATOM 0 HE3 LYS A 11 1.823 5.199 10.990 1.00 53.31 H new ATOM 0 HZ1 LYS A 11 1.006 6.076 13.065 1.00 22.13 H new ATOM 0 HZ2 LYS A 11 2.656 6.434 12.891 1.00 22.13 H new ATOM 0 HZ3 LYS A 11 1.494 7.645 12.638 1.00 22.13 H new ATOM 176 N ILE A 12 1.612 6.199 5.427 1.00 52.21 N ATOM 177 CA ILE A 12 0.328 6.178 4.806 1.00 71.42 C ATOM 178 C ILE A 12 -0.686 5.869 5.869 1.00 64.34 C ATOM 179 O ILE A 12 -0.391 5.125 6.800 1.00 70.54 O ATOM 180 CB ILE A 12 0.251 5.018 3.781 1.00 73.15 C ATOM 181 CG1 ILE A 12 1.492 4.975 2.903 1.00 31.02 C ATOM 182 CG2 ILE A 12 -0.990 5.169 2.905 1.00 33.20 C ATOM 183 CD1 ILE A 12 1.517 3.792 1.966 1.00 72.50 C ATOM 0 H ILE A 12 2.058 5.283 5.480 1.00 52.21 H new ATOM 0 HA ILE A 12 0.150 7.135 4.315 1.00 71.42 H new ATOM 0 HB ILE A 12 0.191 4.084 4.340 1.00 73.15 H new ATOM 0 HG12 ILE A 12 1.548 5.894 2.319 1.00 31.02 H new ATOM 0 HG13 ILE A 12 2.378 4.946 3.538 1.00 31.02 H new ATOM 0 HG21 ILE A 12 -1.032 4.348 2.189 1.00 33.20 H new ATOM 0 HG22 ILE A 12 -1.882 5.151 3.531 1.00 33.20 H new ATOM 0 HG23 ILE A 12 -0.943 6.116 2.368 1.00 33.20 H new ATOM 0 HD11 ILE A 12 2.428 3.821 1.368 1.00 72.50 H new ATOM 0 HD12 ILE A 12 1.492 2.869 2.545 1.00 72.50 H new ATOM 0 HD13 ILE A 12 0.649 3.831 1.307 1.00 72.50 H new ATOM 195 N ARG A 13 -1.831 6.451 5.773 1.00 70.51 N ATOM 196 CA ARG A 13 -2.920 6.065 6.607 1.00 33.23 C ATOM 197 C ARG A 13 -3.874 5.282 5.738 1.00 53.24 C ATOM 198 O ARG A 13 -3.837 5.423 4.515 1.00 13.23 O ATOM 199 CB ARG A 13 -3.660 7.259 7.211 1.00 31.02 C ATOM 200 CG ARG A 13 -2.921 8.105 8.265 1.00 43.30 C ATOM 201 CD ARG A 13 -1.674 8.817 7.743 1.00 10.11 C ATOM 202 NE ARG A 13 -1.132 9.726 8.766 1.00 71.22 N ATOM 203 CZ ARG A 13 0.036 10.380 8.717 1.00 15.01 C ATOM 204 NH1 ARG A 13 0.895 10.165 7.730 1.00 32.05 N ATOM 205 NH2 ARG A 13 0.346 11.242 9.681 1.00 22.42 N ATOM 0 H ARG A 13 -2.040 7.204 5.118 1.00 70.51 H new ATOM 0 HA ARG A 13 -2.536 5.482 7.444 1.00 33.23 H new ATOM 0 HB2 ARG A 13 -3.951 7.920 6.395 1.00 31.02 H new ATOM 0 HB3 ARG A 13 -4.580 6.889 7.664 1.00 31.02 H new ATOM 0 HG2 ARG A 13 -3.610 8.850 8.663 1.00 43.30 H new ATOM 0 HG3 ARG A 13 -2.635 7.460 9.095 1.00 43.30 H new ATOM 0 HD2 ARG A 13 -0.919 8.082 7.464 1.00 10.11 H new ATOM 0 HD3 ARG A 13 -1.920 9.379 6.842 1.00 10.11 H new ATOM 0 HE ARG A 13 -1.704 9.873 9.597 1.00 71.22 H new ATOM 0 HH11 ARG A 13 0.670 9.494 6.995 1.00 32.05 H new ATOM 0 HH12 ARG A 13 1.781 10.670 7.706 1.00 32.05 H new ATOM 0 HH21 ARG A 13 -0.304 11.401 10.451 1.00 22.42 H new ATOM 0 HH22 ARG A 13 1.234 11.744 9.650 1.00 22.42 H new ATOM 219 N TYR A 14 -4.730 4.483 6.330 1.00 21.42 N ATOM 220 CA TYR A 14 -5.677 3.678 5.549 1.00 22.25 C ATOM 221 C TYR A 14 -6.629 4.592 4.788 1.00 54.52 C ATOM 222 O TYR A 14 -7.091 4.275 3.691 1.00 41.43 O ATOM 223 CB TYR A 14 -6.466 2.741 6.461 1.00 22.13 C ATOM 224 CG TYR A 14 -5.588 1.876 7.320 1.00 14.11 C ATOM 225 CD1 TYR A 14 -4.858 0.830 6.779 1.00 62.42 C ATOM 226 CD2 TYR A 14 -5.466 2.125 8.677 1.00 74.25 C ATOM 227 CE1 TYR A 14 -4.044 0.062 7.567 1.00 61.12 C ATOM 228 CE2 TYR A 14 -4.648 1.359 9.469 1.00 64.31 C ATOM 229 CZ TYR A 14 -3.940 0.329 8.911 1.00 42.24 C ATOM 230 OH TYR A 14 -3.110 -0.433 9.693 1.00 11.43 O ATOM 0 H TYR A 14 -4.801 4.364 7.341 1.00 21.42 H new ATOM 0 HA TYR A 14 -5.116 3.073 4.837 1.00 22.25 H new ATOM 0 HB2 TYR A 14 -7.120 3.333 7.101 1.00 22.13 H new ATOM 0 HB3 TYR A 14 -7.107 2.105 5.851 1.00 22.13 H new ATOM 0 HD1 TYR A 14 -4.932 0.618 5.723 1.00 62.42 H new ATOM 0 HD2 TYR A 14 -6.025 2.936 9.120 1.00 74.25 H new ATOM 0 HE1 TYR A 14 -3.484 -0.753 7.133 1.00 61.12 H new ATOM 0 HE2 TYR A 14 -4.563 1.567 10.525 1.00 64.31 H new ATOM 0 HH TYR A 14 -3.576 -1.252 9.963 1.00 11.43 H new ATOM 240 N SER A 15 -6.869 5.747 5.373 1.00 72.21 N ATOM 241 CA SER A 15 -7.729 6.762 4.828 1.00 73.11 C ATOM 242 C SER A 15 -7.140 7.374 3.533 1.00 24.44 C ATOM 243 O SER A 15 -7.866 8.001 2.744 1.00 43.13 O ATOM 244 CB SER A 15 -7.876 7.833 5.874 1.00 13.22 C ATOM 245 OG SER A 15 -8.322 7.262 7.104 1.00 52.14 O ATOM 0 H SER A 15 -6.455 6.008 6.268 1.00 72.21 H new ATOM 0 HA SER A 15 -8.692 6.323 4.567 1.00 73.11 H new ATOM 0 HB2 SER A 15 -6.922 8.339 6.024 1.00 13.22 H new ATOM 0 HB3 SER A 15 -8.587 8.587 5.536 1.00 13.22 H new ATOM 0 HG SER A 15 -8.972 6.553 6.919 1.00 52.14 H new ATOM 251 N ASP A 16 -5.832 7.183 3.319 1.00 34.40 N ATOM 252 CA ASP A 16 -5.151 7.703 2.125 1.00 54.32 C ATOM 253 C ASP A 16 -5.311 6.759 0.972 1.00 51.42 C ATOM 254 O ASP A 16 -5.210 7.162 -0.170 1.00 32.01 O ATOM 255 CB ASP A 16 -3.616 7.882 2.332 1.00 44.21 C ATOM 256 CG ASP A 16 -3.180 9.022 3.217 1.00 23.21 C ATOM 257 OD1 ASP A 16 -3.105 8.848 4.444 1.00 61.51 O ATOM 258 OD2 ASP A 16 -2.844 10.112 2.674 1.00 34.10 O ATOM 0 H ASP A 16 -5.223 6.672 3.958 1.00 34.40 H new ATOM 0 HA ASP A 16 -5.613 8.671 1.929 1.00 54.32 H new ATOM 0 HB2 ASP A 16 -3.219 6.957 2.749 1.00 44.21 H new ATOM 0 HB3 ASP A 16 -3.154 8.015 1.354 1.00 44.21 H new ATOM 263 N VAL A 17 -5.573 5.511 1.258 1.00 50.40 N ATOM 264 CA VAL A 17 -5.537 4.499 0.212 1.00 64.34 C ATOM 265 C VAL A 17 -6.870 4.362 -0.522 1.00 34.10 C ATOM 266 O VAL A 17 -7.905 4.067 0.076 1.00 1.22 O ATOM 267 CB VAL A 17 -5.131 3.111 0.756 1.00 32.23 C ATOM 268 CG1 VAL A 17 -4.870 2.120 -0.375 1.00 72.30 C ATOM 269 CG2 VAL A 17 -3.961 3.197 1.723 1.00 52.22 C ATOM 0 H VAL A 17 -5.811 5.165 2.188 1.00 50.40 H new ATOM 0 HA VAL A 17 -4.781 4.848 -0.491 1.00 64.34 H new ATOM 0 HB VAL A 17 -5.978 2.729 1.327 1.00 32.23 H new ATOM 0 HG11 VAL A 17 -4.587 1.155 0.045 1.00 72.30 H new ATOM 0 HG12 VAL A 17 -5.774 2.004 -0.973 1.00 72.30 H new ATOM 0 HG13 VAL A 17 -4.063 2.492 -1.006 1.00 72.30 H new ATOM 0 HG21 VAL A 17 -3.710 2.198 2.080 1.00 52.22 H new ATOM 0 HG22 VAL A 17 -3.099 3.628 1.214 1.00 52.22 H new ATOM 0 HG23 VAL A 17 -4.234 3.827 2.570 1.00 52.22 H new ATOM 279 N LYS A 18 -6.821 4.554 -1.811 1.00 62.25 N ATOM 280 CA LYS A 18 -7.961 4.357 -2.694 1.00 10.44 C ATOM 281 C LYS A 18 -7.936 2.985 -3.288 1.00 5.32 C ATOM 282 O LYS A 18 -8.976 2.376 -3.529 1.00 22.14 O ATOM 283 CB LYS A 18 -7.915 5.361 -3.834 1.00 60.41 C ATOM 284 CG LYS A 18 -8.347 6.754 -3.473 1.00 42.14 C ATOM 285 CD LYS A 18 -9.852 6.837 -3.220 1.00 13.22 C ATOM 286 CE LYS A 18 -10.637 6.517 -4.494 1.00 22.22 C ATOM 287 NZ LYS A 18 -12.093 6.656 -4.308 1.00 12.51 N ATOM 0 H LYS A 18 -5.977 4.857 -2.296 1.00 62.25 H new ATOM 0 HA LYS A 18 -8.868 4.490 -2.104 1.00 10.44 H new ATOM 0 HB2 LYS A 18 -6.897 5.402 -4.221 1.00 60.41 H new ATOM 0 HB3 LYS A 18 -8.549 4.998 -4.643 1.00 60.41 H new ATOM 0 HG2 LYS A 18 -7.811 7.081 -2.582 1.00 42.14 H new ATOM 0 HG3 LYS A 18 -8.076 7.438 -4.277 1.00 42.14 H new ATOM 0 HD2 LYS A 18 -10.131 6.139 -2.431 1.00 13.22 H new ATOM 0 HD3 LYS A 18 -10.112 7.836 -2.869 1.00 13.22 H new ATOM 0 HE2 LYS A 18 -10.311 7.181 -5.295 1.00 22.22 H new ATOM 0 HE3 LYS A 18 -10.410 5.499 -4.811 1.00 22.22 H new ATOM 0 HZ1 LYS A 18 -12.580 6.429 -5.198 1.00 12.51 H new ATOM 0 HZ2 LYS A 18 -12.412 6.004 -3.563 1.00 12.51 H new ATOM 0 HZ3 LYS A 18 -12.316 7.633 -4.031 1.00 12.51 H new ATOM 301 N LYS A 19 -6.757 2.493 -3.498 1.00 71.23 N ATOM 302 CA LYS A 19 -6.576 1.272 -4.193 1.00 25.00 C ATOM 303 C LYS A 19 -5.229 0.695 -3.834 1.00 11.25 C ATOM 304 O LYS A 19 -4.250 1.441 -3.662 1.00 63.11 O ATOM 305 CB LYS A 19 -6.675 1.551 -5.691 1.00 5.44 C ATOM 306 CG LYS A 19 -6.616 0.335 -6.561 1.00 33.43 C ATOM 307 CD LYS A 19 -6.821 0.714 -8.008 1.00 33.03 C ATOM 308 CE LYS A 19 -6.790 -0.500 -8.917 1.00 63.50 C ATOM 309 NZ LYS A 19 -7.847 -1.484 -8.595 1.00 71.55 N ATOM 0 H LYS A 19 -5.891 2.934 -3.188 1.00 71.23 H new ATOM 0 HA LYS A 19 -7.342 0.547 -3.917 1.00 25.00 H new ATOM 0 HB2 LYS A 19 -7.610 2.076 -5.888 1.00 5.44 H new ATOM 0 HB3 LYS A 19 -5.866 2.224 -5.975 1.00 5.44 H new ATOM 0 HG2 LYS A 19 -5.652 -0.160 -6.441 1.00 33.43 H new ATOM 0 HG3 LYS A 19 -7.381 -0.378 -6.253 1.00 33.43 H new ATOM 0 HD2 LYS A 19 -7.777 1.226 -8.118 1.00 33.03 H new ATOM 0 HD3 LYS A 19 -6.046 1.417 -8.313 1.00 33.03 H new ATOM 0 HE2 LYS A 19 -6.904 -0.177 -9.952 1.00 63.50 H new ATOM 0 HE3 LYS A 19 -5.815 -0.982 -8.839 1.00 63.50 H new ATOM 0 HZ1 LYS A 19 -7.913 -2.186 -9.360 1.00 71.55 H new ATOM 0 HZ2 LYS A 19 -7.614 -1.965 -7.703 1.00 71.55 H new ATOM 0 HZ3 LYS A 19 -8.759 -0.994 -8.496 1.00 71.55 H new ATOM 323 N LEU A 20 -5.190 -0.595 -3.702 1.00 30.31 N ATOM 324 CA LEU A 20 -4.008 -1.305 -3.316 1.00 61.53 C ATOM 325 C LEU A 20 -3.801 -2.422 -4.346 1.00 24.54 C ATOM 326 O LEU A 20 -4.691 -3.256 -4.549 1.00 12.12 O ATOM 327 CB LEU A 20 -4.274 -1.854 -1.882 1.00 14.21 C ATOM 328 CG LEU A 20 -3.136 -2.511 -1.073 1.00 42.52 C ATOM 329 CD1 LEU A 20 -3.628 -2.746 0.352 1.00 0.31 C ATOM 330 CD2 LEU A 20 -2.705 -3.843 -1.679 1.00 54.45 C ATOM 0 H LEU A 20 -5.997 -1.198 -3.863 1.00 30.31 H new ATOM 0 HA LEU A 20 -3.106 -0.693 -3.294 1.00 61.53 H new ATOM 0 HB2 LEU A 20 -4.656 -1.025 -1.286 1.00 14.21 H new ATOM 0 HB3 LEU A 20 -5.077 -2.587 -1.961 1.00 14.21 H new ATOM 0 HG LEU A 20 -2.274 -1.844 -1.087 1.00 42.52 H new ATOM 0 HD11 LEU A 20 -2.835 -3.210 0.939 1.00 0.31 H new ATOM 0 HD12 LEU A 20 -3.903 -1.793 0.804 1.00 0.31 H new ATOM 0 HD13 LEU A 20 -4.498 -3.403 0.333 1.00 0.31 H new ATOM 0 HD21 LEU A 20 -1.902 -4.273 -1.080 1.00 54.45 H new ATOM 0 HD22 LEU A 20 -3.553 -4.528 -1.694 1.00 54.45 H new ATOM 0 HD23 LEU A 20 -2.351 -3.682 -2.697 1.00 54.45 H new ATOM 342 N GLU A 21 -2.656 -2.431 -5.000 1.00 50.24 N ATOM 343 CA GLU A 21 -2.363 -3.414 -6.032 1.00 13.23 C ATOM 344 C GLU A 21 -1.037 -4.040 -5.761 1.00 23.21 C ATOM 345 O GLU A 21 -0.162 -3.408 -5.201 1.00 32.44 O ATOM 346 CB GLU A 21 -2.305 -2.765 -7.415 1.00 13.01 C ATOM 347 CG GLU A 21 -3.593 -2.145 -7.895 1.00 10.11 C ATOM 348 CD GLU A 21 -3.447 -1.557 -9.274 1.00 1.21 C ATOM 349 OE1 GLU A 21 -3.550 -2.313 -10.272 1.00 73.43 O ATOM 350 OE2 GLU A 21 -3.231 -0.351 -9.396 1.00 63.34 O ATOM 0 H GLU A 21 -1.904 -1.762 -4.834 1.00 50.24 H new ATOM 0 HA GLU A 21 -3.158 -4.159 -6.017 1.00 13.23 H new ATOM 0 HB2 GLU A 21 -1.533 -1.995 -7.404 1.00 13.01 H new ATOM 0 HB3 GLU A 21 -1.993 -3.519 -8.138 1.00 13.01 H new ATOM 0 HG2 GLU A 21 -4.380 -2.899 -7.902 1.00 10.11 H new ATOM 0 HG3 GLU A 21 -3.904 -1.367 -7.198 1.00 10.11 H new ATOM 357 N MET A 22 -0.877 -5.273 -6.118 1.00 72.11 N ATOM 358 CA MET A 22 0.396 -5.880 -5.970 1.00 25.20 C ATOM 359 C MET A 22 1.055 -6.058 -7.322 1.00 42.44 C ATOM 360 O MET A 22 0.597 -6.848 -8.161 1.00 73.42 O ATOM 361 CB MET A 22 0.269 -7.203 -5.232 1.00 32.11 C ATOM 362 CG MET A 22 -0.259 -7.045 -3.817 1.00 20.13 C ATOM 363 SD MET A 22 -0.450 -8.606 -2.951 1.00 23.11 S ATOM 364 CE MET A 22 -1.116 -8.020 -1.386 1.00 35.54 C ATOM 0 H MET A 22 -1.605 -5.870 -6.509 1.00 72.11 H new ATOM 0 HA MET A 22 1.033 -5.227 -5.373 1.00 25.20 H new ATOM 0 HB2 MET A 22 -0.396 -7.862 -5.791 1.00 32.11 H new ATOM 0 HB3 MET A 22 1.244 -7.689 -5.198 1.00 32.11 H new ATOM 0 HG2 MET A 22 0.420 -6.405 -3.253 1.00 20.13 H new ATOM 0 HG3 MET A 22 -1.222 -6.536 -3.851 1.00 20.13 H new ATOM 0 HE1 MET A 22 -1.294 -8.869 -0.726 1.00 35.54 H new ATOM 0 HE2 MET A 22 -0.403 -7.340 -0.919 1.00 35.54 H new ATOM 0 HE3 MET A 22 -2.055 -7.496 -1.564 1.00 35.54 H new ATOM 374 N LYS A 23 2.102 -5.312 -7.529 1.00 2.12 N ATOM 375 CA LYS A 23 2.935 -5.374 -8.703 1.00 52.05 C ATOM 376 C LYS A 23 4.283 -4.765 -8.372 1.00 11.43 C ATOM 377 O LYS A 23 4.342 -3.809 -7.616 1.00 34.03 O ATOM 378 CB LYS A 23 2.226 -4.823 -9.995 1.00 52.40 C ATOM 379 CG LYS A 23 1.650 -3.391 -9.980 1.00 31.40 C ATOM 380 CD LYS A 23 2.694 -2.296 -10.154 1.00 1.42 C ATOM 381 CE LYS A 23 2.009 -0.926 -10.276 1.00 72.24 C ATOM 382 NZ LYS A 23 2.961 0.176 -10.540 1.00 44.34 N ATOM 0 H LYS A 23 2.415 -4.612 -6.856 1.00 2.12 H new ATOM 0 HA LYS A 23 3.117 -6.412 -8.980 1.00 52.05 H new ATOM 0 HB2 LYS A 23 2.943 -4.881 -10.814 1.00 52.40 H new ATOM 0 HB3 LYS A 23 1.410 -5.503 -10.238 1.00 52.40 H new ATOM 0 HG2 LYS A 23 0.910 -3.301 -10.775 1.00 31.40 H new ATOM 0 HG3 LYS A 23 1.127 -3.232 -9.037 1.00 31.40 H new ATOM 0 HD2 LYS A 23 3.376 -2.295 -9.304 1.00 1.42 H new ATOM 0 HD3 LYS A 23 3.293 -2.492 -11.043 1.00 1.42 H new ATOM 0 HE2 LYS A 23 1.274 -0.964 -11.080 1.00 72.24 H new ATOM 0 HE3 LYS A 23 1.464 -0.715 -9.356 1.00 72.24 H new ATOM 0 HZ1 LYS A 23 2.441 1.074 -10.612 1.00 44.34 H new ATOM 0 HZ2 LYS A 23 3.648 0.235 -9.761 1.00 44.34 H new ATOM 0 HZ3 LYS A 23 3.464 -0.006 -11.432 1.00 44.34 H new ATOM 396 N PRO A 24 5.388 -5.326 -8.862 1.00 60.53 N ATOM 397 CA PRO A 24 6.711 -4.873 -8.468 1.00 54.23 C ATOM 398 C PRO A 24 7.086 -3.520 -9.051 1.00 53.14 C ATOM 399 O PRO A 24 6.614 -3.137 -10.128 1.00 41.24 O ATOM 400 CB PRO A 24 7.637 -5.977 -8.970 1.00 14.23 C ATOM 401 CG PRO A 24 6.929 -6.541 -10.154 1.00 33.42 C ATOM 402 CD PRO A 24 5.456 -6.416 -9.856 1.00 41.01 C ATOM 0 HA PRO A 24 6.773 -4.714 -7.391 1.00 54.23 H new ATOM 0 HB2 PRO A 24 8.616 -5.582 -9.243 1.00 14.23 H new ATOM 0 HB3 PRO A 24 7.801 -6.737 -8.206 1.00 14.23 H new ATOM 0 HG2 PRO A 24 7.191 -5.997 -11.061 1.00 33.42 H new ATOM 0 HG3 PRO A 24 7.207 -7.582 -10.316 1.00 33.42 H new ATOM 0 HD2 PRO A 24 4.886 -6.175 -10.753 1.00 41.01 H new ATOM 0 HD3 PRO A 24 5.048 -7.345 -9.459 1.00 41.01 H new ATOM 410 N LYS A 25 7.919 -2.791 -8.316 1.00 44.12 N ATOM 411 CA LYS A 25 8.421 -1.507 -8.762 1.00 44.31 C ATOM 412 C LYS A 25 9.327 -1.751 -9.963 1.00 74.12 C ATOM 413 O LYS A 25 9.369 -0.969 -10.910 1.00 31.12 O ATOM 414 CB LYS A 25 9.193 -0.818 -7.616 1.00 11.43 C ATOM 415 CG LYS A 25 9.681 0.585 -7.909 1.00 72.25 C ATOM 416 CD LYS A 25 8.511 1.530 -8.021 1.00 60.34 C ATOM 417 CE LYS A 25 8.954 2.927 -8.428 1.00 42.13 C ATOM 418 NZ LYS A 25 7.812 3.853 -8.549 1.00 61.12 N ATOM 0 H LYS A 25 8.261 -3.077 -7.399 1.00 44.12 H new ATOM 0 HA LYS A 25 7.601 -0.849 -9.049 1.00 44.31 H new ATOM 0 HB2 LYS A 25 8.549 -0.784 -6.737 1.00 11.43 H new ATOM 0 HB3 LYS A 25 10.053 -1.436 -7.358 1.00 11.43 H new ATOM 0 HG2 LYS A 25 10.352 0.917 -7.117 1.00 72.25 H new ATOM 0 HG3 LYS A 25 10.254 0.592 -8.836 1.00 72.25 H new ATOM 0 HD2 LYS A 25 7.801 1.145 -8.753 1.00 60.34 H new ATOM 0 HD3 LYS A 25 7.989 1.578 -7.065 1.00 60.34 H new ATOM 0 HE2 LYS A 25 9.658 3.314 -7.691 1.00 42.13 H new ATOM 0 HE3 LYS A 25 9.483 2.877 -9.380 1.00 42.13 H new ATOM 0 HZ1 LYS A 25 8.156 4.794 -8.828 1.00 61.12 H new ATOM 0 HZ2 LYS A 25 7.152 3.498 -9.270 1.00 61.12 H new ATOM 0 HZ3 LYS A 25 7.322 3.921 -7.634 1.00 61.12 H new ATOM 432 N TYR A 26 10.041 -2.858 -9.906 1.00 42.31 N ATOM 433 CA TYR A 26 10.855 -3.322 -10.988 1.00 73.13 C ATOM 434 C TYR A 26 10.628 -4.811 -11.166 1.00 71.24 C ATOM 435 O TYR A 26 10.524 -5.524 -10.185 1.00 35.05 O ATOM 436 CB TYR A 26 12.347 -3.016 -10.747 1.00 13.03 C ATOM 437 CG TYR A 26 12.719 -1.563 -10.913 1.00 1.21 C ATOM 438 CD1 TYR A 26 12.610 -0.655 -9.870 1.00 3.45 C ATOM 439 CD2 TYR A 26 13.174 -1.103 -12.137 1.00 23.00 C ATOM 440 CE1 TYR A 26 12.946 0.671 -10.039 1.00 55.10 C ATOM 441 CE2 TYR A 26 13.512 0.227 -12.318 1.00 43.30 C ATOM 442 CZ TYR A 26 13.396 1.109 -11.265 1.00 74.43 C ATOM 443 OH TYR A 26 13.734 2.435 -11.437 1.00 52.25 O ATOM 0 H TYR A 26 10.065 -3.464 -9.086 1.00 42.31 H new ATOM 0 HA TYR A 26 10.569 -2.796 -11.899 1.00 73.13 H new ATOM 0 HB2 TYR A 26 12.612 -3.334 -9.739 1.00 13.03 H new ATOM 0 HB3 TYR A 26 12.944 -3.613 -11.437 1.00 13.03 H new ATOM 0 HD1 TYR A 26 12.255 -0.993 -8.908 1.00 3.45 H new ATOM 0 HD2 TYR A 26 13.267 -1.792 -12.963 1.00 23.00 H new ATOM 0 HE1 TYR A 26 12.857 1.363 -9.215 1.00 55.10 H new ATOM 0 HE2 TYR A 26 13.865 0.572 -13.279 1.00 43.30 H new ATOM 0 HH TYR A 26 14.033 2.579 -12.359 1.00 52.25 H new ATOM 453 N PRO A 27 10.516 -5.306 -12.414 1.00 11.24 N ATOM 454 CA PRO A 27 10.291 -6.747 -12.685 1.00 63.20 C ATOM 455 C PRO A 27 11.458 -7.609 -12.199 1.00 62.33 C ATOM 456 O PRO A 27 11.310 -8.804 -11.944 1.00 13.25 O ATOM 457 CB PRO A 27 10.180 -6.820 -14.212 1.00 50.42 C ATOM 458 CG PRO A 27 9.887 -5.427 -14.650 1.00 64.45 C ATOM 459 CD PRO A 27 10.561 -4.523 -13.664 1.00 4.53 C ATOM 0 HA PRO A 27 9.410 -7.124 -12.166 1.00 63.20 H new ATOM 0 HB2 PRO A 27 11.105 -7.186 -14.657 1.00 50.42 H new ATOM 0 HB3 PRO A 27 9.387 -7.503 -14.517 1.00 50.42 H new ATOM 0 HG2 PRO A 27 10.262 -5.250 -15.658 1.00 64.45 H new ATOM 0 HG3 PRO A 27 8.813 -5.245 -14.673 1.00 64.45 H new ATOM 0 HD2 PRO A 27 11.585 -4.294 -13.960 1.00 4.53 H new ATOM 0 HD3 PRO A 27 10.037 -3.572 -13.564 1.00 4.53 H new ATOM 467 N HIS A 28 12.605 -6.974 -12.040 1.00 5.12 N ATOM 468 CA HIS A 28 13.823 -7.634 -11.570 1.00 74.31 C ATOM 469 C HIS A 28 13.878 -7.682 -10.022 1.00 23.22 C ATOM 470 O HIS A 28 14.948 -7.742 -9.432 1.00 43.41 O ATOM 471 CB HIS A 28 15.094 -6.951 -12.165 1.00 63.35 C ATOM 472 CG HIS A 28 15.285 -5.484 -11.851 1.00 72.00 C ATOM 473 ND1 HIS A 28 15.951 -5.040 -10.743 1.00 60.34 N ATOM 474 CD2 HIS A 28 14.928 -4.355 -12.533 1.00 52.13 C ATOM 475 CE1 HIS A 28 15.996 -3.728 -10.756 1.00 73.44 C ATOM 476 NE2 HIS A 28 15.394 -3.293 -11.823 1.00 3.21 N ATOM 0 H HIS A 28 12.725 -5.980 -12.233 1.00 5.12 H new ATOM 0 HA HIS A 28 13.802 -8.664 -11.926 1.00 74.31 H new ATOM 0 HB2 HIS A 28 15.970 -7.492 -11.808 1.00 63.35 H new ATOM 0 HB3 HIS A 28 15.067 -7.067 -13.249 1.00 63.35 H new ATOM 0 HD2 HIS A 28 14.379 -4.314 -13.462 1.00 52.13 H new ATOM 0 HE1 HIS A 28 16.459 -3.109 -10.001 1.00 73.44 H new ATOM 0 HE2 HIS A 28 15.288 -2.313 -12.085 1.00 3.21 H new ATOM 485 N CYS A 29 12.718 -7.688 -9.406 1.00 62.42 N ATOM 486 CA CYS A 29 12.560 -7.762 -7.968 1.00 23.20 C ATOM 487 C CYS A 29 11.822 -9.062 -7.633 1.00 1.40 C ATOM 488 O CYS A 29 11.076 -9.572 -8.481 1.00 2.23 O ATOM 489 CB CYS A 29 11.743 -6.534 -7.525 1.00 2.42 C ATOM 490 SG CYS A 29 12.565 -4.950 -7.918 1.00 5.10 S ATOM 0 H CYS A 29 11.830 -7.640 -9.906 1.00 62.42 H new ATOM 0 HA CYS A 29 13.520 -7.762 -7.451 1.00 23.20 H new ATOM 0 HB2 CYS A 29 10.767 -6.560 -8.009 1.00 2.42 H new ATOM 0 HB3 CYS A 29 11.568 -6.589 -6.451 1.00 2.42 H new ATOM 495 N GLU A 30 12.036 -9.630 -6.437 1.00 44.41 N ATOM 496 CA GLU A 30 11.330 -10.856 -6.080 1.00 24.12 C ATOM 497 C GLU A 30 9.930 -10.545 -5.599 1.00 22.20 C ATOM 498 O GLU A 30 9.741 -9.649 -4.750 1.00 22.22 O ATOM 499 CB GLU A 30 12.041 -11.711 -5.009 1.00 72.42 C ATOM 500 CG GLU A 30 13.377 -12.327 -5.375 1.00 25.43 C ATOM 501 CD GLU A 30 14.523 -11.364 -5.398 1.00 53.40 C ATOM 502 OE1 GLU A 30 14.890 -10.854 -4.335 1.00 53.42 O ATOM 503 OE2 GLU A 30 15.103 -11.114 -6.465 1.00 13.50 O ATOM 0 H GLU A 30 12.672 -9.270 -5.725 1.00 44.41 H new ATOM 0 HA GLU A 30 11.307 -11.444 -6.997 1.00 24.12 H new ATOM 0 HB2 GLU A 30 12.189 -11.089 -4.126 1.00 72.42 H new ATOM 0 HB3 GLU A 30 11.367 -12.518 -4.721 1.00 72.42 H new ATOM 0 HG2 GLU A 30 13.602 -13.122 -4.664 1.00 25.43 H new ATOM 0 HG3 GLU A 30 13.291 -12.792 -6.357 1.00 25.43 H new ATOM 510 N GLU A 31 8.966 -11.292 -6.133 1.00 23.42 N ATOM 511 CA GLU A 31 7.553 -11.161 -5.811 1.00 52.32 C ATOM 512 C GLU A 31 6.974 -9.804 -6.231 1.00 74.11 C ATOM 513 O GLU A 31 7.676 -8.943 -6.785 1.00 5.33 O ATOM 514 CB GLU A 31 7.256 -11.466 -4.328 1.00 10.42 C ATOM 515 CG GLU A 31 7.349 -12.945 -3.912 1.00 63.41 C ATOM 516 CD GLU A 31 8.721 -13.569 -4.058 1.00 53.35 C ATOM 517 OE1 GLU A 31 9.538 -13.468 -3.113 1.00 11.22 O ATOM 518 OE2 GLU A 31 8.990 -14.203 -5.093 1.00 44.44 O ATOM 0 H GLU A 31 9.154 -12.023 -6.819 1.00 23.42 H new ATOM 0 HA GLU A 31 7.043 -11.920 -6.404 1.00 52.32 H new ATOM 0 HB2 GLU A 31 7.950 -10.892 -3.714 1.00 10.42 H new ATOM 0 HB3 GLU A 31 6.253 -11.107 -4.097 1.00 10.42 H new ATOM 0 HG2 GLU A 31 7.035 -13.034 -2.872 1.00 63.41 H new ATOM 0 HG3 GLU A 31 6.640 -13.519 -4.509 1.00 63.41 H new ATOM 525 N LYS A 32 5.698 -9.627 -6.010 1.00 41.22 N ATOM 526 CA LYS A 32 5.046 -8.387 -6.347 1.00 34.01 C ATOM 527 C LYS A 32 5.182 -7.431 -5.190 1.00 50.33 C ATOM 528 O LYS A 32 5.057 -7.834 -4.028 1.00 40.20 O ATOM 529 CB LYS A 32 3.557 -8.603 -6.618 1.00 30.15 C ATOM 530 CG LYS A 32 3.227 -9.664 -7.648 1.00 42.22 C ATOM 531 CD LYS A 32 3.840 -9.383 -9.001 1.00 11.43 C ATOM 532 CE LYS A 32 3.463 -10.453 -10.021 1.00 10.23 C ATOM 533 NZ LYS A 32 3.888 -11.809 -9.605 1.00 61.02 N ATOM 0 H LYS A 32 5.086 -10.330 -5.596 1.00 41.22 H new ATOM 0 HA LYS A 32 5.516 -7.987 -7.245 1.00 34.01 H new ATOM 0 HB2 LYS A 32 3.070 -8.869 -5.680 1.00 30.15 H new ATOM 0 HB3 LYS A 32 3.124 -7.657 -6.945 1.00 30.15 H new ATOM 0 HG2 LYS A 32 3.578 -10.632 -7.290 1.00 42.22 H new ATOM 0 HG3 LYS A 32 2.145 -9.736 -7.753 1.00 42.22 H new ATOM 0 HD2 LYS A 32 3.508 -8.408 -9.356 1.00 11.43 H new ATOM 0 HD3 LYS A 32 4.925 -9.335 -8.907 1.00 11.43 H new ATOM 0 HE2 LYS A 32 2.383 -10.444 -10.170 1.00 10.23 H new ATOM 0 HE3 LYS A 32 3.919 -10.212 -10.981 1.00 10.23 H new ATOM 0 HZ1 LYS A 32 3.795 -12.463 -10.408 1.00 61.02 H new ATOM 0 HZ2 LYS A 32 4.880 -11.782 -9.293 1.00 61.02 H new ATOM 0 HZ3 LYS A 32 3.288 -12.136 -8.821 1.00 61.02 H new ATOM 547 N MET A 33 5.443 -6.189 -5.490 1.00 20.41 N ATOM 548 CA MET A 33 5.535 -5.178 -4.449 1.00 23.12 C ATOM 549 C MET A 33 4.142 -4.676 -4.161 1.00 20.22 C ATOM 550 O MET A 33 3.230 -4.898 -4.962 1.00 12.11 O ATOM 551 CB MET A 33 6.444 -3.989 -4.831 1.00 3.54 C ATOM 552 CG MET A 33 7.937 -4.288 -5.119 1.00 23.20 C ATOM 553 SD MET A 33 8.853 -5.106 -3.788 1.00 20.32 S ATOM 554 CE MET A 33 8.411 -6.824 -4.052 1.00 35.42 C ATOM 0 H MET A 33 5.596 -5.844 -6.438 1.00 20.41 H new ATOM 0 HA MET A 33 5.987 -5.641 -3.572 1.00 23.12 H new ATOM 0 HB2 MET A 33 6.020 -3.514 -5.716 1.00 3.54 H new ATOM 0 HB3 MET A 33 6.398 -3.258 -4.023 1.00 3.54 H new ATOM 0 HG2 MET A 33 7.997 -4.912 -6.011 1.00 23.20 H new ATOM 0 HG3 MET A 33 8.437 -3.348 -5.353 1.00 23.20 H new ATOM 0 HE1 MET A 33 9.182 -7.467 -3.627 1.00 35.42 H new ATOM 0 HE2 MET A 33 7.457 -7.033 -3.568 1.00 35.42 H new ATOM 0 HE3 MET A 33 8.325 -7.017 -5.121 1.00 35.42 H new ATOM 564 N VAL A 34 3.956 -4.025 -3.056 1.00 30.25 N ATOM 565 CA VAL A 34 2.641 -3.553 -2.719 1.00 43.00 C ATOM 566 C VAL A 34 2.501 -2.093 -3.091 1.00 51.23 C ATOM 567 O VAL A 34 3.198 -1.243 -2.554 1.00 41.20 O ATOM 568 CB VAL A 34 2.321 -3.750 -1.237 1.00 50.42 C ATOM 569 CG1 VAL A 34 0.909 -3.307 -0.965 1.00 30.24 C ATOM 570 CG2 VAL A 34 2.514 -5.204 -0.828 1.00 63.34 C ATOM 0 H VAL A 34 4.685 -3.808 -2.376 1.00 30.25 H new ATOM 0 HA VAL A 34 1.926 -4.145 -3.290 1.00 43.00 H new ATOM 0 HB VAL A 34 3.007 -3.145 -0.645 1.00 50.42 H new ATOM 0 HG11 VAL A 34 0.681 -3.447 0.092 1.00 30.24 H new ATOM 0 HG12 VAL A 34 0.802 -2.253 -1.222 1.00 30.24 H new ATOM 0 HG13 VAL A 34 0.220 -3.899 -1.567 1.00 30.24 H new ATOM 0 HG21 VAL A 34 2.280 -5.318 0.230 1.00 63.34 H new ATOM 0 HG22 VAL A 34 1.851 -5.839 -1.417 1.00 63.34 H new ATOM 0 HG23 VAL A 34 3.549 -5.497 -1.005 1.00 63.34 H new ATOM 580 N ILE A 35 1.605 -1.821 -3.997 1.00 63.13 N ATOM 581 CA ILE A 35 1.401 -0.500 -4.534 1.00 53.34 C ATOM 582 C ILE A 35 0.172 0.132 -3.919 1.00 34.21 C ATOM 583 O ILE A 35 -0.906 -0.465 -3.906 1.00 63.42 O ATOM 584 CB ILE A 35 1.206 -0.586 -6.061 1.00 72.22 C ATOM 585 CG1 ILE A 35 2.379 -1.321 -6.697 1.00 42.15 C ATOM 586 CG2 ILE A 35 1.027 0.797 -6.682 1.00 43.33 C ATOM 587 CD1 ILE A 35 3.735 -0.656 -6.505 1.00 34.34 C ATOM 0 H ILE A 35 0.981 -2.524 -4.393 1.00 63.13 H new ATOM 0 HA ILE A 35 2.275 0.109 -4.303 1.00 53.34 H new ATOM 0 HB ILE A 35 0.292 -1.148 -6.256 1.00 72.22 H new ATOM 0 HG12 ILE A 35 2.424 -2.329 -6.284 1.00 42.15 H new ATOM 0 HG13 ILE A 35 2.189 -1.422 -7.765 1.00 42.15 H new ATOM 0 HG21 ILE A 35 0.892 0.698 -7.759 1.00 43.33 H new ATOM 0 HG22 ILE A 35 0.150 1.279 -6.250 1.00 43.33 H new ATOM 0 HG23 ILE A 35 1.910 1.403 -6.481 1.00 43.33 H new ATOM 0 HD11 ILE A 35 4.505 -1.253 -6.993 1.00 34.34 H new ATOM 0 HD12 ILE A 35 3.717 0.341 -6.944 1.00 34.34 H new ATOM 0 HD13 ILE A 35 3.955 -0.579 -5.440 1.00 34.34 H new ATOM 599 N ILE A 36 0.334 1.322 -3.422 1.00 12.20 N ATOM 600 CA ILE A 36 -0.739 2.053 -2.819 1.00 64.13 C ATOM 601 C ILE A 36 -1.010 3.376 -3.507 1.00 33.44 C ATOM 602 O ILE A 36 -0.136 4.245 -3.608 1.00 55.12 O ATOM 603 CB ILE A 36 -0.544 2.222 -1.296 1.00 3.05 C ATOM 604 CG1 ILE A 36 -0.828 0.888 -0.594 1.00 32.45 C ATOM 605 CG2 ILE A 36 -1.367 3.376 -0.721 1.00 11.34 C ATOM 606 CD1 ILE A 36 -0.773 0.957 0.902 1.00 35.32 C ATOM 0 H ILE A 36 1.225 1.818 -3.424 1.00 12.20 H new ATOM 0 HA ILE A 36 -1.634 1.447 -2.961 1.00 64.13 H new ATOM 0 HB ILE A 36 0.494 2.497 -1.110 1.00 3.05 H new ATOM 0 HG12 ILE A 36 -1.815 0.535 -0.894 1.00 32.45 H new ATOM 0 HG13 ILE A 36 -0.106 0.148 -0.939 1.00 32.45 H new ATOM 0 HG21 ILE A 36 -1.191 3.449 0.352 1.00 11.34 H new ATOM 0 HG22 ILE A 36 -1.071 4.309 -1.201 1.00 11.34 H new ATOM 0 HG23 ILE A 36 -2.426 3.194 -0.904 1.00 11.34 H new ATOM 0 HD11 ILE A 36 -0.985 -0.027 1.320 1.00 35.32 H new ATOM 0 HD12 ILE A 36 0.221 1.278 1.215 1.00 35.32 H new ATOM 0 HD13 ILE A 36 -1.514 1.671 1.261 1.00 35.32 H new ATOM 618 N THR A 37 -2.219 3.509 -3.957 1.00 63.24 N ATOM 619 CA THR A 37 -2.694 4.682 -4.636 1.00 42.13 C ATOM 620 C THR A 37 -3.450 5.580 -3.635 1.00 72.24 C ATOM 621 O THR A 37 -4.358 5.102 -2.931 1.00 34.44 O ATOM 622 CB THR A 37 -3.626 4.239 -5.778 1.00 21.35 C ATOM 623 OG1 THR A 37 -2.896 3.367 -6.657 1.00 65.50 O ATOM 624 CG2 THR A 37 -4.158 5.425 -6.553 1.00 62.23 C ATOM 0 H THR A 37 -2.928 2.782 -3.860 1.00 63.24 H new ATOM 0 HA THR A 37 -1.861 5.251 -5.049 1.00 42.13 H new ATOM 0 HB THR A 37 -4.482 3.717 -5.349 1.00 21.35 H new ATOM 0 HG1 THR A 37 -3.480 3.076 -7.388 1.00 65.50 H new ATOM 0 HG21 THR A 37 -4.812 5.074 -7.351 1.00 62.23 H new ATOM 0 HG22 THR A 37 -4.720 6.075 -5.883 1.00 62.23 H new ATOM 0 HG23 THR A 37 -3.325 5.981 -6.984 1.00 62.23 H new ATOM 632 N THR A 38 -3.077 6.851 -3.562 1.00 1.20 N ATOM 633 CA THR A 38 -3.669 7.752 -2.605 1.00 63.11 C ATOM 634 C THR A 38 -4.918 8.490 -3.137 1.00 52.40 C ATOM 635 O THR A 38 -5.150 8.548 -4.351 1.00 12.44 O ATOM 636 CB THR A 38 -2.621 8.706 -1.980 1.00 52.25 C ATOM 637 OG1 THR A 38 -1.847 9.349 -3.005 1.00 73.02 O ATOM 638 CG2 THR A 38 -1.683 7.927 -1.067 1.00 11.52 C ATOM 0 H THR A 38 -2.366 7.274 -4.159 1.00 1.20 H new ATOM 0 HA THR A 38 -4.042 7.125 -1.796 1.00 63.11 H new ATOM 0 HB THR A 38 -3.153 9.463 -1.404 1.00 52.25 H new ATOM 0 HG1 THR A 38 -1.191 9.949 -2.592 1.00 73.02 H new ATOM 0 HG21 THR A 38 -0.950 8.607 -0.633 1.00 11.52 H new ATOM 0 HG22 THR A 38 -2.259 7.457 -0.270 1.00 11.52 H new ATOM 0 HG23 THR A 38 -1.168 7.159 -1.644 1.00 11.52 H new ATOM 646 N LYS A 39 -5.715 9.035 -2.207 1.00 51.33 N ATOM 647 CA LYS A 39 -7.009 9.645 -2.516 1.00 4.33 C ATOM 648 C LYS A 39 -6.888 10.993 -3.221 1.00 64.34 C ATOM 649 O LYS A 39 -7.529 11.201 -4.270 1.00 51.04 O ATOM 650 CB LYS A 39 -7.813 9.777 -1.208 1.00 64.11 C ATOM 651 CG LYS A 39 -9.223 10.336 -1.347 1.00 24.54 C ATOM 652 CD LYS A 39 -9.895 10.408 0.019 1.00 54.41 C ATOM 653 CE LYS A 39 -11.329 10.902 -0.069 1.00 12.02 C ATOM 654 NZ LYS A 39 -11.965 10.987 1.267 1.00 34.23 N ATOM 0 H LYS A 39 -5.476 9.063 -1.216 1.00 51.33 H new ATOM 0 HA LYS A 39 -7.529 8.995 -3.220 1.00 4.33 H new ATOM 0 HB2 LYS A 39 -7.877 8.793 -0.743 1.00 64.11 H new ATOM 0 HB3 LYS A 39 -7.255 10.417 -0.524 1.00 64.11 H new ATOM 0 HG2 LYS A 39 -9.186 11.329 -1.796 1.00 24.54 H new ATOM 0 HG3 LYS A 39 -9.808 9.705 -2.016 1.00 24.54 H new ATOM 0 HD2 LYS A 39 -9.881 9.421 0.481 1.00 54.41 H new ATOM 0 HD3 LYS A 39 -9.324 11.072 0.668 1.00 54.41 H new ATOM 0 HE2 LYS A 39 -11.347 11.883 -0.543 1.00 12.02 H new ATOM 0 HE3 LYS A 39 -11.906 10.230 -0.704 1.00 12.02 H new ATOM 0 HZ1 LYS A 39 -12.942 11.328 1.165 1.00 34.23 H new ATOM 0 HZ2 LYS A 39 -11.971 10.046 1.709 1.00 34.23 H new ATOM 0 HZ3 LYS A 39 -11.429 11.647 1.865 1.00 34.23 H new ATOM 668 N SER A 40 -6.059 11.878 -2.679 1.00 21.24 N ATOM 669 CA SER A 40 -5.828 13.205 -3.257 1.00 34.43 C ATOM 670 C SER A 40 -4.884 14.019 -2.382 1.00 32.34 C ATOM 671 O SER A 40 -3.711 14.216 -2.724 1.00 44.53 O ATOM 672 CB SER A 40 -7.162 13.975 -3.492 1.00 54.42 C ATOM 673 OG SER A 40 -7.964 14.031 -2.304 1.00 61.30 O ATOM 0 H SER A 40 -5.527 11.700 -1.827 1.00 21.24 H new ATOM 0 HA SER A 40 -5.359 13.058 -4.230 1.00 34.43 H new ATOM 0 HB2 SER A 40 -6.942 14.988 -3.829 1.00 54.42 H new ATOM 0 HB3 SER A 40 -7.726 13.489 -4.288 1.00 54.42 H new ATOM 0 HG SER A 40 -8.791 14.523 -2.490 1.00 61.30 H new ATOM 679 N VAL A 41 -5.380 14.457 -1.238 1.00 2.34 N ATOM 680 CA VAL A 41 -4.600 15.264 -0.327 1.00 5.32 C ATOM 681 C VAL A 41 -3.663 14.387 0.496 1.00 50.33 C ATOM 682 O VAL A 41 -3.956 14.005 1.635 1.00 60.12 O ATOM 683 CB VAL A 41 -5.483 16.158 0.600 1.00 31.51 C ATOM 684 CG1 VAL A 41 -4.626 17.060 1.487 1.00 30.45 C ATOM 685 CG2 VAL A 41 -6.455 16.991 -0.225 1.00 40.43 C ATOM 0 H VAL A 41 -6.329 14.263 -0.919 1.00 2.34 H new ATOM 0 HA VAL A 41 -4.005 15.944 -0.937 1.00 5.32 H new ATOM 0 HB VAL A 41 -6.055 15.496 1.250 1.00 31.51 H new ATOM 0 HG11 VAL A 41 -5.272 17.669 2.119 1.00 30.45 H new ATOM 0 HG12 VAL A 41 -3.979 16.446 2.114 1.00 30.45 H new ATOM 0 HG13 VAL A 41 -4.014 17.710 0.862 1.00 30.45 H new ATOM 0 HG21 VAL A 41 -7.061 17.607 0.439 1.00 40.43 H new ATOM 0 HG22 VAL A 41 -5.897 17.633 -0.906 1.00 40.43 H new ATOM 0 HG23 VAL A 41 -7.104 16.330 -0.799 1.00 40.43 H new ATOM 695 N SER A 42 -2.640 13.934 -0.152 1.00 54.11 N ATOM 696 CA SER A 42 -1.610 13.210 0.483 1.00 53.13 C ATOM 697 C SER A 42 -0.298 13.859 0.071 1.00 51.11 C ATOM 698 O SER A 42 -0.195 14.380 -1.043 1.00 24.25 O ATOM 699 CB SER A 42 -1.658 11.728 0.069 1.00 53.45 C ATOM 700 OG SER A 42 -0.855 10.908 0.930 1.00 13.13 O ATOM 0 H SER A 42 -2.503 14.064 -1.154 1.00 54.11 H new ATOM 0 HA SER A 42 -1.721 13.235 1.567 1.00 53.13 H new ATOM 0 HB2 SER A 42 -2.690 11.377 0.092 1.00 53.45 H new ATOM 0 HB3 SER A 42 -1.309 11.626 -0.959 1.00 53.45 H new ATOM 0 HG SER A 42 -1.429 10.465 1.589 1.00 13.13 H new ATOM 706 N ARG A 43 0.679 13.830 0.937 1.00 72.12 N ATOM 707 CA ARG A 43 2.023 14.388 0.666 1.00 45.13 C ATOM 708 C ARG A 43 2.730 13.684 -0.528 1.00 64.11 C ATOM 709 O ARG A 43 3.779 14.119 -0.987 1.00 33.15 O ATOM 710 CB ARG A 43 2.928 14.282 1.930 1.00 21.34 C ATOM 711 CG ARG A 43 3.318 12.849 2.385 1.00 31.51 C ATOM 712 CD ARG A 43 2.127 11.999 2.847 1.00 33.34 C ATOM 713 NE ARG A 43 1.465 12.557 4.028 1.00 65.44 N ATOM 714 CZ ARG A 43 0.265 12.181 4.511 1.00 13.24 C ATOM 715 NH1 ARG A 43 -0.486 11.290 3.848 1.00 63.14 N ATOM 716 NH2 ARG A 43 -0.178 12.715 5.638 1.00 41.33 N ATOM 0 H ARG A 43 0.587 13.419 1.866 1.00 72.12 H new ATOM 0 HA ARG A 43 1.875 15.435 0.401 1.00 45.13 H new ATOM 0 HB2 ARG A 43 3.844 14.841 1.741 1.00 21.34 H new ATOM 0 HB3 ARG A 43 2.418 14.776 2.757 1.00 21.34 H new ATOM 0 HG2 ARG A 43 3.818 12.340 1.561 1.00 31.51 H new ATOM 0 HG3 ARG A 43 4.039 12.920 3.199 1.00 31.51 H new ATOM 0 HD2 ARG A 43 1.405 11.918 2.034 1.00 33.34 H new ATOM 0 HD3 ARG A 43 2.470 10.989 3.070 1.00 33.34 H new ATOM 0 HE ARG A 43 1.957 13.297 4.530 1.00 65.44 H new ATOM 0 HH11 ARG A 43 -0.150 10.892 2.971 1.00 63.14 H new ATOM 0 HH12 ARG A 43 -1.394 11.010 4.220 1.00 63.14 H new ATOM 0 HH21 ARG A 43 0.388 13.405 6.133 1.00 41.33 H new ATOM 0 HH22 ARG A 43 -1.085 12.437 6.012 1.00 41.33 H new ATOM 730 N TYR A 44 2.149 12.600 -0.994 1.00 62.12 N ATOM 731 CA TYR A 44 2.713 11.793 -2.030 1.00 1.02 C ATOM 732 C TYR A 44 1.861 11.901 -3.308 1.00 65.35 C ATOM 733 O TYR A 44 2.012 11.105 -4.227 1.00 35.02 O ATOM 734 CB TYR A 44 2.736 10.375 -1.527 1.00 52.42 C ATOM 735 CG TYR A 44 3.841 9.548 -2.081 1.00 45.51 C ATOM 736 CD1 TYR A 44 5.121 9.796 -1.679 1.00 22.44 C ATOM 737 CD2 TYR A 44 3.615 8.522 -2.967 1.00 71.22 C ATOM 738 CE1 TYR A 44 6.179 9.047 -2.141 1.00 24.43 C ATOM 739 CE2 TYR A 44 4.659 7.753 -3.435 1.00 64.24 C ATOM 740 CZ TYR A 44 5.940 8.021 -3.022 1.00 44.14 C ATOM 741 OH TYR A 44 6.978 7.247 -3.472 1.00 73.50 O ATOM 0 H TYR A 44 1.253 12.256 -0.650 1.00 62.12 H new ATOM 0 HA TYR A 44 3.721 12.125 -2.278 1.00 1.02 H new ATOM 0 HB2 TYR A 44 2.817 10.388 -0.440 1.00 52.42 H new ATOM 0 HB3 TYR A 44 1.785 9.900 -1.770 1.00 52.42 H new ATOM 0 HD1 TYR A 44 5.308 10.599 -0.982 1.00 22.44 H new ATOM 0 HD2 TYR A 44 2.609 8.316 -3.300 1.00 71.22 H new ATOM 0 HE1 TYR A 44 7.185 9.264 -1.815 1.00 24.43 H new ATOM 0 HE2 TYR A 44 4.470 6.943 -4.124 1.00 64.24 H new ATOM 0 HH TYR A 44 6.635 6.566 -4.088 1.00 73.50 H new ATOM 751 N ARG A 45 0.949 12.888 -3.306 1.00 1.01 N ATOM 752 CA ARG A 45 -0.030 13.168 -4.377 1.00 44.30 C ATOM 753 C ARG A 45 0.542 12.891 -5.786 1.00 62.11 C ATOM 754 O ARG A 45 1.562 13.467 -6.195 1.00 34.32 O ATOM 755 CB ARG A 45 -0.472 14.664 -4.240 1.00 4.21 C ATOM 756 CG ARG A 45 -1.657 15.162 -5.103 1.00 34.10 C ATOM 757 CD ARG A 45 -1.401 15.137 -6.610 1.00 74.11 C ATOM 758 NE ARG A 45 -0.222 15.923 -7.015 1.00 24.00 N ATOM 759 CZ ARG A 45 0.370 15.828 -8.223 1.00 31.21 C ATOM 760 NH1 ARG A 45 -0.132 15.008 -9.152 1.00 24.35 N ATOM 761 NH2 ARG A 45 1.449 16.546 -8.494 1.00 11.11 N ATOM 0 H ARG A 45 0.868 13.541 -2.527 1.00 1.01 H new ATOM 0 HA ARG A 45 -0.884 12.500 -4.264 1.00 44.30 H new ATOM 0 HB2 ARG A 45 -0.725 14.841 -3.195 1.00 4.21 H new ATOM 0 HB3 ARG A 45 0.392 15.288 -4.470 1.00 4.21 H new ATOM 0 HG2 ARG A 45 -2.531 14.548 -4.886 1.00 34.10 H new ATOM 0 HG3 ARG A 45 -1.902 16.182 -4.806 1.00 34.10 H new ATOM 0 HD2 ARG A 45 -1.268 14.104 -6.932 1.00 74.11 H new ATOM 0 HD3 ARG A 45 -2.280 15.521 -7.127 1.00 74.11 H new ATOM 0 HE ARG A 45 0.170 16.579 -6.340 1.00 24.00 H new ATOM 0 HH11 ARG A 45 -0.963 14.454 -8.947 1.00 24.35 H new ATOM 0 HH12 ARG A 45 0.316 14.937 -10.065 1.00 24.35 H new ATOM 0 HH21 ARG A 45 1.835 17.173 -7.788 1.00 11.11 H new ATOM 0 HH22 ARG A 45 1.894 16.472 -9.409 1.00 11.11 H new ATOM 775 N GLY A 46 -0.124 12.001 -6.492 1.00 32.21 N ATOM 776 CA GLY A 46 0.197 11.688 -7.870 1.00 31.45 C ATOM 777 C GLY A 46 1.216 10.588 -8.014 1.00 60.03 C ATOM 778 O GLY A 46 1.561 10.198 -9.131 1.00 2.01 O ATOM 0 H GLY A 46 -0.912 11.469 -6.122 1.00 32.21 H new ATOM 0 HA2 GLY A 46 -0.716 11.398 -8.391 1.00 31.45 H new ATOM 0 HA3 GLY A 46 0.572 12.586 -8.361 1.00 31.45 H new ATOM 782 N GLN A 47 1.697 10.085 -6.912 1.00 23.54 N ATOM 783 CA GLN A 47 2.613 8.975 -6.926 1.00 52.54 C ATOM 784 C GLN A 47 2.019 7.828 -6.149 1.00 23.23 C ATOM 785 O GLN A 47 1.204 8.043 -5.242 1.00 5.41 O ATOM 786 CB GLN A 47 3.978 9.367 -6.345 1.00 72.54 C ATOM 787 CG GLN A 47 4.691 10.469 -7.105 1.00 23.41 C ATOM 788 CD GLN A 47 4.949 10.103 -8.551 1.00 73.43 C ATOM 789 OE1 GLN A 47 5.132 8.925 -8.892 1.00 40.30 O ATOM 790 NE2 GLN A 47 4.943 11.087 -9.405 1.00 65.45 N ATOM 0 H GLN A 47 1.467 10.430 -5.980 1.00 23.54 H new ATOM 0 HA GLN A 47 2.774 8.671 -7.960 1.00 52.54 H new ATOM 0 HB2 GLN A 47 3.841 9.685 -5.312 1.00 72.54 H new ATOM 0 HB3 GLN A 47 4.617 8.484 -6.325 1.00 72.54 H new ATOM 0 HG2 GLN A 47 4.093 11.379 -7.065 1.00 23.41 H new ATOM 0 HG3 GLN A 47 5.639 10.689 -6.615 1.00 23.41 H new ATOM 0 HE21 GLN A 47 4.789 12.042 -9.082 1.00 65.45 H new ATOM 0 HE22 GLN A 47 5.093 10.902 -10.397 1.00 65.45 H new ATOM 799 N GLU A 48 2.393 6.632 -6.489 1.00 10.30 N ATOM 800 CA GLU A 48 1.914 5.497 -5.765 1.00 63.11 C ATOM 801 C GLU A 48 2.978 5.078 -4.785 1.00 24.32 C ATOM 802 O GLU A 48 4.169 5.112 -5.105 1.00 54.35 O ATOM 803 CB GLU A 48 1.570 4.289 -6.659 1.00 63.11 C ATOM 804 CG GLU A 48 0.607 4.537 -7.819 1.00 22.21 C ATOM 805 CD GLU A 48 1.274 5.148 -9.031 1.00 15.11 C ATOM 806 OE1 GLU A 48 1.816 4.382 -9.854 1.00 33.05 O ATOM 807 OE2 GLU A 48 1.261 6.378 -9.189 1.00 23.02 O ATOM 0 H GLU A 48 3.026 6.418 -7.260 1.00 10.30 H new ATOM 0 HA GLU A 48 0.990 5.799 -5.273 1.00 63.11 H new ATOM 0 HB2 GLU A 48 2.500 3.895 -7.069 1.00 63.11 H new ATOM 0 HB3 GLU A 48 1.145 3.510 -6.027 1.00 63.11 H new ATOM 0 HG2 GLU A 48 0.144 3.593 -8.105 1.00 22.21 H new ATOM 0 HG3 GLU A 48 -0.194 5.196 -7.483 1.00 22.21 H new ATOM 814 N HIS A 49 2.571 4.697 -3.612 1.00 73.13 N ATOM 815 CA HIS A 49 3.512 4.235 -2.609 1.00 53.04 C ATOM 816 C HIS A 49 3.790 2.796 -2.855 1.00 11.22 C ATOM 817 O HIS A 49 2.970 2.105 -3.463 1.00 25.22 O ATOM 818 CB HIS A 49 2.957 4.339 -1.191 1.00 63.33 C ATOM 819 CG HIS A 49 2.643 5.698 -0.689 1.00 22.03 C ATOM 820 ND1 HIS A 49 3.379 6.320 0.296 1.00 4.41 N ATOM 821 CD2 HIS A 49 1.609 6.517 -0.959 1.00 23.42 C ATOM 822 CE1 HIS A 49 2.807 7.459 0.614 1.00 4.34 C ATOM 823 NE2 HIS A 49 1.727 7.605 -0.134 1.00 43.44 N ATOM 0 H HIS A 49 1.595 4.693 -3.316 1.00 73.13 H new ATOM 0 HA HIS A 49 4.401 4.861 -2.687 1.00 53.04 H new ATOM 0 HB2 HIS A 49 2.048 3.740 -1.138 1.00 63.33 H new ATOM 0 HB3 HIS A 49 3.678 3.885 -0.511 1.00 63.33 H new ATOM 0 HD1 HIS A 49 4.234 5.953 0.713 1.00 4.41 H new ATOM 0 HD2 HIS A 49 0.832 6.348 -1.689 1.00 23.42 H new ATOM 0 HE1 HIS A 49 3.159 8.157 1.359 1.00 4.34 H new ATOM 832 N CYS A 50 4.899 2.336 -2.401 1.00 51.15 N ATOM 833 CA CYS A 50 5.195 0.953 -2.502 1.00 34.11 C ATOM 834 C CYS A 50 5.770 0.448 -1.206 1.00 61.52 C ATOM 835 O CYS A 50 6.703 1.029 -0.661 1.00 3.11 O ATOM 836 CB CYS A 50 6.092 0.631 -3.726 1.00 73.41 C ATOM 837 SG CYS A 50 7.651 1.594 -3.863 1.00 63.10 S ATOM 0 H CYS A 50 5.621 2.901 -1.953 1.00 51.15 H new ATOM 0 HA CYS A 50 4.263 0.417 -2.680 1.00 34.11 H new ATOM 0 HB2 CYS A 50 6.345 -0.429 -3.696 1.00 73.41 H new ATOM 0 HB3 CYS A 50 5.508 0.794 -4.632 1.00 73.41 H new ATOM 842 N LEU A 51 5.171 -0.589 -0.677 1.00 73.34 N ATOM 843 CA LEU A 51 5.687 -1.220 0.505 1.00 61.55 C ATOM 844 C LEU A 51 6.466 -2.402 0.073 1.00 13.41 C ATOM 845 O LEU A 51 6.083 -3.081 -0.899 1.00 11.44 O ATOM 846 CB LEU A 51 4.603 -1.687 1.519 1.00 34.14 C ATOM 847 CG LEU A 51 3.704 -0.634 2.179 1.00 35.24 C ATOM 848 CD1 LEU A 51 2.702 -0.075 1.217 1.00 23.33 C ATOM 849 CD2 LEU A 51 3.006 -1.204 3.400 1.00 24.54 C ATOM 0 H LEU A 51 4.322 -1.014 -1.050 1.00 73.34 H new ATOM 0 HA LEU A 51 6.286 -0.475 1.029 1.00 61.55 H new ATOM 0 HB2 LEU A 51 3.956 -2.398 1.006 1.00 34.14 H new ATOM 0 HB3 LEU A 51 5.109 -2.234 2.315 1.00 34.14 H new ATOM 0 HG LEU A 51 4.349 0.185 2.498 1.00 35.24 H new ATOM 0 HD11 LEU A 51 2.085 0.667 1.724 1.00 23.33 H new ATOM 0 HD12 LEU A 51 3.222 0.395 0.382 1.00 23.33 H new ATOM 0 HD13 LEU A 51 2.068 -0.879 0.843 1.00 23.33 H new ATOM 0 HD21 LEU A 51 2.375 -0.437 3.849 1.00 24.54 H new ATOM 0 HD22 LEU A 51 2.390 -2.053 3.104 1.00 24.54 H new ATOM 0 HD23 LEU A 51 3.751 -1.532 4.125 1.00 24.54 H new ATOM 861 N HIS A 52 7.545 -2.655 0.736 1.00 64.54 N ATOM 862 CA HIS A 52 8.339 -3.791 0.412 1.00 43.42 C ATOM 863 C HIS A 52 7.803 -4.986 1.226 1.00 13.12 C ATOM 864 O HIS A 52 8.027 -5.069 2.427 1.00 43.24 O ATOM 865 CB HIS A 52 9.820 -3.512 0.695 1.00 22.20 C ATOM 866 CG HIS A 52 10.725 -4.544 0.133 1.00 22.31 C ATOM 867 ND1 HIS A 52 11.436 -5.422 0.900 1.00 15.51 N ATOM 868 CD2 HIS A 52 11.021 -4.844 -1.153 1.00 40.33 C ATOM 869 CE1 HIS A 52 12.120 -6.223 0.120 1.00 32.31 C ATOM 870 NE2 HIS A 52 11.891 -5.895 -1.132 1.00 71.44 N ATOM 0 H HIS A 52 7.897 -2.088 1.507 1.00 64.54 H new ATOM 0 HA HIS A 52 8.271 -4.023 -0.651 1.00 43.42 H new ATOM 0 HB2 HIS A 52 10.086 -2.540 0.280 1.00 22.20 H new ATOM 0 HB3 HIS A 52 9.973 -3.452 1.773 1.00 22.20 H new ATOM 0 HD2 HIS A 52 10.640 -4.345 -2.032 1.00 40.33 H new ATOM 0 HE1 HIS A 52 12.766 -7.022 0.452 1.00 32.31 H new ATOM 0 HE2 HIS A 52 12.296 -6.350 -1.950 1.00 71.44 H new ATOM 879 N PRO A 53 7.097 -5.935 0.554 1.00 62.50 N ATOM 880 CA PRO A 53 6.319 -7.032 1.211 1.00 3.23 C ATOM 881 C PRO A 53 7.141 -8.063 1.971 1.00 2.45 C ATOM 882 O PRO A 53 6.618 -9.086 2.412 1.00 31.21 O ATOM 883 CB PRO A 53 5.614 -7.701 0.043 1.00 45.25 C ATOM 884 CG PRO A 53 6.468 -7.410 -1.125 1.00 63.21 C ATOM 885 CD PRO A 53 7.002 -6.030 -0.909 1.00 20.20 C ATOM 0 HA PRO A 53 5.671 -6.614 1.981 1.00 3.23 H new ATOM 0 HB2 PRO A 53 5.514 -8.775 0.203 1.00 45.25 H new ATOM 0 HB3 PRO A 53 4.608 -7.304 -0.093 1.00 45.25 H new ATOM 0 HG2 PRO A 53 7.279 -8.134 -1.206 1.00 63.21 H new ATOM 0 HG3 PRO A 53 5.896 -7.467 -2.051 1.00 63.21 H new ATOM 0 HD2 PRO A 53 7.973 -5.894 -1.386 1.00 20.20 H new ATOM 0 HD3 PRO A 53 6.336 -5.271 -1.320 1.00 20.20 H new ATOM 893 N LYS A 54 8.395 -7.810 2.119 1.00 61.12 N ATOM 894 CA LYS A 54 9.239 -8.686 2.867 1.00 53.12 C ATOM 895 C LYS A 54 9.180 -8.333 4.346 1.00 1.25 C ATOM 896 O LYS A 54 9.569 -9.123 5.200 1.00 15.12 O ATOM 897 CB LYS A 54 10.650 -8.614 2.338 1.00 13.01 C ATOM 898 CG LYS A 54 10.724 -9.065 0.902 1.00 13.14 C ATOM 899 CD LYS A 54 10.376 -10.518 0.763 1.00 22.44 C ATOM 900 CE LYS A 54 10.176 -10.893 -0.670 1.00 41.23 C ATOM 901 NZ LYS A 54 9.872 -12.326 -0.805 1.00 51.11 N ATOM 0 H LYS A 54 8.866 -6.994 1.728 1.00 61.12 H new ATOM 0 HA LYS A 54 8.888 -9.712 2.755 1.00 53.12 H new ATOM 0 HB2 LYS A 54 11.018 -7.591 2.419 1.00 13.01 H new ATOM 0 HB3 LYS A 54 11.302 -9.237 2.950 1.00 13.01 H new ATOM 0 HG2 LYS A 54 10.043 -8.467 0.296 1.00 13.14 H new ATOM 0 HG3 LYS A 54 11.729 -8.892 0.517 1.00 13.14 H new ATOM 0 HD2 LYS A 54 11.171 -11.127 1.193 1.00 22.44 H new ATOM 0 HD3 LYS A 54 9.469 -10.733 1.328 1.00 22.44 H new ATOM 0 HE2 LYS A 54 9.362 -10.304 -1.093 1.00 41.23 H new ATOM 0 HE3 LYS A 54 11.073 -10.653 -1.241 1.00 41.23 H new ATOM 0 HZ1 LYS A 54 9.738 -12.559 -1.810 1.00 51.11 H new ATOM 0 HZ2 LYS A 54 10.660 -12.886 -0.422 1.00 51.11 H new ATOM 0 HZ3 LYS A 54 9.003 -12.547 -0.279 1.00 51.11 H new ATOM 915 N LEU A 55 8.658 -7.152 4.635 1.00 12.31 N ATOM 916 CA LEU A 55 8.557 -6.652 5.992 1.00 51.31 C ATOM 917 C LEU A 55 7.235 -7.024 6.629 1.00 45.43 C ATOM 918 O LEU A 55 6.219 -7.162 5.953 1.00 61.21 O ATOM 919 CB LEU A 55 8.726 -5.144 6.004 1.00 22.55 C ATOM 920 CG LEU A 55 10.069 -4.626 5.513 1.00 12.33 C ATOM 921 CD1 LEU A 55 10.058 -3.129 5.477 1.00 23.53 C ATOM 922 CD2 LEU A 55 11.196 -5.121 6.409 1.00 14.43 C ATOM 0 H LEU A 55 8.291 -6.512 3.930 1.00 12.31 H new ATOM 0 HA LEU A 55 9.353 -7.115 6.575 1.00 51.31 H new ATOM 0 HB2 LEU A 55 7.941 -4.704 5.389 1.00 22.55 H new ATOM 0 HB3 LEU A 55 8.570 -4.788 7.022 1.00 22.55 H new ATOM 0 HG LEU A 55 10.240 -5.005 4.505 1.00 12.33 H new ATOM 0 HD11 LEU A 55 11.024 -2.766 5.124 1.00 23.53 H new ATOM 0 HD12 LEU A 55 9.273 -2.787 4.802 1.00 23.53 H new ATOM 0 HD13 LEU A 55 9.869 -2.742 6.478 1.00 23.53 H new ATOM 0 HD21 LEU A 55 12.148 -4.739 6.040 1.00 14.43 H new ATOM 0 HD22 LEU A 55 11.033 -4.768 7.427 1.00 14.43 H new ATOM 0 HD23 LEU A 55 11.215 -6.211 6.402 1.00 14.43 H new ATOM 934 N GLN A 56 7.262 -7.145 7.931 1.00 21.01 N ATOM 935 CA GLN A 56 6.132 -7.565 8.728 1.00 42.23 C ATOM 936 C GLN A 56 5.078 -6.462 8.849 1.00 43.02 C ATOM 937 O GLN A 56 3.879 -6.742 8.880 1.00 73.32 O ATOM 938 CB GLN A 56 6.592 -8.048 10.143 1.00 54.11 C ATOM 939 CG GLN A 56 7.092 -6.978 11.178 1.00 3.54 C ATOM 940 CD GLN A 56 8.360 -6.164 10.829 1.00 24.33 C ATOM 941 OE1 GLN A 56 8.663 -5.872 9.682 1.00 1.33 O ATOM 942 NE2 GLN A 56 9.099 -5.801 11.836 1.00 31.31 N ATOM 0 H GLN A 56 8.095 -6.949 8.486 1.00 21.01 H new ATOM 0 HA GLN A 56 5.669 -8.405 8.211 1.00 42.23 H new ATOM 0 HB2 GLN A 56 5.758 -8.583 10.597 1.00 54.11 H new ATOM 0 HB3 GLN A 56 7.395 -8.771 10.001 1.00 54.11 H new ATOM 0 HG2 GLN A 56 6.279 -6.272 11.347 1.00 3.54 H new ATOM 0 HG3 GLN A 56 7.273 -7.488 12.124 1.00 3.54 H new ATOM 0 HE21 GLN A 56 8.828 -6.055 12.786 1.00 31.31 H new ATOM 0 HE22 GLN A 56 9.950 -5.262 11.676 1.00 31.31 H new ATOM 951 N SER A 57 5.527 -5.218 8.888 1.00 31.13 N ATOM 952 CA SER A 57 4.636 -4.075 9.036 1.00 2.11 C ATOM 953 C SER A 57 3.692 -3.934 7.824 1.00 24.34 C ATOM 954 O SER A 57 2.559 -3.434 7.952 1.00 65.32 O ATOM 955 CB SER A 57 5.464 -2.815 9.250 1.00 40.22 C ATOM 956 OG SER A 57 6.330 -2.987 10.370 1.00 61.53 O ATOM 0 H SER A 57 6.514 -4.971 8.818 1.00 31.13 H new ATOM 0 HA SER A 57 4.001 -4.232 9.908 1.00 2.11 H new ATOM 0 HB2 SER A 57 6.050 -2.598 8.357 1.00 40.22 H new ATOM 0 HB3 SER A 57 4.807 -1.961 9.415 1.00 40.22 H new ATOM 0 HG SER A 57 6.861 -2.174 10.501 1.00 61.53 H new ATOM 962 N THR A 58 4.161 -4.393 6.670 1.00 22.02 N ATOM 963 CA THR A 58 3.384 -4.402 5.458 1.00 61.13 C ATOM 964 C THR A 58 2.130 -5.273 5.655 1.00 65.05 C ATOM 965 O THR A 58 1.027 -4.846 5.357 1.00 51.54 O ATOM 966 CB THR A 58 4.242 -5.002 4.323 1.00 4.40 C ATOM 967 OG1 THR A 58 5.483 -4.277 4.244 1.00 72.44 O ATOM 968 CG2 THR A 58 3.521 -4.920 2.985 1.00 44.24 C ATOM 0 H THR A 58 5.102 -4.771 6.559 1.00 22.02 H new ATOM 0 HA THR A 58 3.083 -3.385 5.206 1.00 61.13 H new ATOM 0 HB THR A 58 4.428 -6.053 4.544 1.00 4.40 H new ATOM 0 HG1 THR A 58 6.088 -4.731 3.621 1.00 72.44 H new ATOM 0 HG21 THR A 58 4.150 -5.350 2.206 1.00 44.24 H new ATOM 0 HG22 THR A 58 2.584 -5.474 3.042 1.00 44.24 H new ATOM 0 HG23 THR A 58 3.312 -3.877 2.748 1.00 44.24 H new ATOM 976 N LYS A 59 2.318 -6.464 6.238 1.00 64.05 N ATOM 977 CA LYS A 59 1.236 -7.436 6.411 1.00 74.12 C ATOM 978 C LYS A 59 0.025 -6.882 7.129 1.00 42.00 C ATOM 979 O LYS A 59 -1.085 -7.022 6.627 1.00 14.11 O ATOM 980 CB LYS A 59 1.714 -8.742 7.058 1.00 62.32 C ATOM 981 CG LYS A 59 2.531 -9.664 6.150 1.00 72.13 C ATOM 982 CD LYS A 59 3.852 -9.065 5.705 1.00 21.51 C ATOM 983 CE LYS A 59 4.682 -10.051 4.884 1.00 72.43 C ATOM 984 NZ LYS A 59 4.005 -10.479 3.635 1.00 13.13 N ATOM 0 H LYS A 59 3.219 -6.777 6.600 1.00 64.05 H new ATOM 0 HA LYS A 59 0.910 -7.668 5.397 1.00 74.12 H new ATOM 0 HB2 LYS A 59 2.316 -8.495 7.933 1.00 62.32 H new ATOM 0 HB3 LYS A 59 0.843 -9.291 7.415 1.00 62.32 H new ATOM 0 HG2 LYS A 59 2.725 -10.599 6.676 1.00 72.13 H new ATOM 0 HG3 LYS A 59 1.938 -9.910 5.269 1.00 72.13 H new ATOM 0 HD2 LYS A 59 3.663 -8.170 5.113 1.00 21.51 H new ATOM 0 HD3 LYS A 59 4.422 -8.753 6.580 1.00 21.51 H new ATOM 0 HE2 LYS A 59 5.638 -9.592 4.633 1.00 72.43 H new ATOM 0 HE3 LYS A 59 4.899 -10.929 5.492 1.00 72.43 H new ATOM 0 HZ1 LYS A 59 4.657 -10.371 2.832 1.00 13.13 H new ATOM 0 HZ2 LYS A 59 3.721 -11.476 3.718 1.00 13.13 H new ATOM 0 HZ3 LYS A 59 3.162 -9.891 3.478 1.00 13.13 H new ATOM 998 N ARG A 60 0.214 -6.226 8.270 1.00 32.13 N ATOM 999 CA ARG A 60 -0.922 -5.663 8.955 1.00 61.32 C ATOM 1000 C ARG A 60 -1.541 -4.536 8.232 1.00 13.42 C ATOM 1001 O ARG A 60 -2.733 -4.488 8.145 1.00 62.30 O ATOM 1002 CB ARG A 60 -0.681 -5.274 10.395 1.00 30.15 C ATOM 1003 CG ARG A 60 -0.850 -6.386 11.397 1.00 70.35 C ATOM 1004 CD ARG A 60 0.261 -7.413 11.307 1.00 42.32 C ATOM 1005 NE ARG A 60 1.565 -6.827 11.611 1.00 63.53 N ATOM 1006 CZ ARG A 60 2.667 -7.519 11.893 1.00 62.44 C ATOM 1007 NH1 ARG A 60 2.656 -8.849 11.867 1.00 21.24 N ATOM 1008 NH2 ARG A 60 3.785 -6.876 12.194 1.00 71.02 N ATOM 0 H ARG A 60 1.117 -6.079 8.721 1.00 32.13 H new ATOM 0 HA ARG A 60 -1.622 -6.499 8.971 1.00 61.32 H new ATOM 0 HB2 ARG A 60 0.331 -4.878 10.483 1.00 30.15 H new ATOM 0 HB3 ARG A 60 -1.364 -4.465 10.655 1.00 30.15 H new ATOM 0 HG2 ARG A 60 -0.873 -5.966 12.403 1.00 70.35 H new ATOM 0 HG3 ARG A 60 -1.810 -6.877 11.234 1.00 70.35 H new ATOM 0 HD2 ARG A 60 0.059 -8.230 12.000 1.00 42.32 H new ATOM 0 HD3 ARG A 60 0.280 -7.842 10.305 1.00 42.32 H new ATOM 0 HE ARG A 60 1.636 -5.810 11.607 1.00 63.53 H new ATOM 0 HH11 ARG A 60 1.798 -9.347 11.630 1.00 21.24 H new ATOM 0 HH12 ARG A 60 3.505 -9.370 12.085 1.00 21.24 H new ATOM 0 HH21 ARG A 60 3.799 -5.856 12.209 1.00 71.02 H new ATOM 0 HH22 ARG A 60 4.632 -7.401 12.411 1.00 71.02 H new ATOM 1022 N PHE A 61 -0.743 -3.642 7.675 1.00 70.42 N ATOM 1023 CA PHE A 61 -1.309 -2.471 7.019 1.00 12.15 C ATOM 1024 C PHE A 61 -2.139 -2.903 5.819 1.00 5.31 C ATOM 1025 O PHE A 61 -3.213 -2.359 5.562 1.00 35.21 O ATOM 1026 CB PHE A 61 -0.213 -1.493 6.577 1.00 51.21 C ATOM 1027 CG PHE A 61 -0.740 -0.145 6.081 1.00 34.03 C ATOM 1028 CD1 PHE A 61 -1.075 0.046 4.750 1.00 34.02 C ATOM 1029 CD2 PHE A 61 -0.896 0.928 6.958 1.00 13.21 C ATOM 1030 CE1 PHE A 61 -1.553 1.266 4.306 1.00 25.55 C ATOM 1031 CE2 PHE A 61 -1.380 2.152 6.509 1.00 22.25 C ATOM 1032 CZ PHE A 61 -1.703 2.314 5.184 1.00 34.24 C ATOM 0 H PHE A 61 0.275 -3.698 7.661 1.00 70.42 H new ATOM 0 HA PHE A 61 -1.948 -1.955 7.736 1.00 12.15 H new ATOM 0 HB2 PHE A 61 0.464 -1.320 7.414 1.00 51.21 H new ATOM 0 HB3 PHE A 61 0.373 -1.956 5.783 1.00 51.21 H new ATOM 0 HD1 PHE A 61 -0.961 -0.768 4.050 1.00 34.02 H new ATOM 0 HD2 PHE A 61 -0.638 0.807 8.000 1.00 13.21 H new ATOM 0 HE1 PHE A 61 -1.810 1.396 3.265 1.00 25.55 H new ATOM 0 HE2 PHE A 61 -1.502 2.973 7.200 1.00 22.25 H new ATOM 0 HZ PHE A 61 -2.075 3.265 4.831 1.00 34.24 H new ATOM 1042 N ILE A 62 -1.661 -3.917 5.119 1.00 53.53 N ATOM 1043 CA ILE A 62 -2.327 -4.383 3.945 1.00 4.21 C ATOM 1044 C ILE A 62 -3.565 -5.133 4.325 1.00 55.31 C ATOM 1045 O ILE A 62 -4.634 -4.934 3.744 1.00 14.43 O ATOM 1046 CB ILE A 62 -1.397 -5.267 3.079 1.00 43.42 C ATOM 1047 CG1 ILE A 62 -0.142 -4.473 2.669 1.00 65.15 C ATOM 1048 CG2 ILE A 62 -2.122 -5.847 1.878 1.00 12.33 C ATOM 1049 CD1 ILE A 62 -0.417 -3.105 2.084 1.00 33.03 C ATOM 0 H ILE A 62 -0.810 -4.426 5.356 1.00 53.53 H new ATOM 0 HA ILE A 62 -2.606 -3.517 3.345 1.00 4.21 H new ATOM 0 HB ILE A 62 -1.078 -6.118 3.681 1.00 43.42 H new ATOM 0 HG12 ILE A 62 0.498 -4.356 3.543 1.00 65.15 H new ATOM 0 HG13 ILE A 62 0.418 -5.058 1.940 1.00 65.15 H new ATOM 0 HG21 ILE A 62 -1.432 -6.460 1.298 1.00 12.33 H new ATOM 0 HG22 ILE A 62 -2.956 -6.461 2.218 1.00 12.33 H new ATOM 0 HG23 ILE A 62 -2.499 -5.036 1.254 1.00 12.33 H new ATOM 0 HD11 ILE A 62 0.526 -2.623 1.826 1.00 33.03 H new ATOM 0 HD12 ILE A 62 -1.028 -3.209 1.188 1.00 33.03 H new ATOM 0 HD13 ILE A 62 -0.947 -2.496 2.816 1.00 33.03 H new ATOM 1061 N LYS A 63 -3.437 -5.968 5.325 1.00 13.22 N ATOM 1062 CA LYS A 63 -4.528 -6.785 5.775 1.00 53.31 C ATOM 1063 C LYS A 63 -5.623 -5.905 6.337 1.00 24.55 C ATOM 1064 O LYS A 63 -6.814 -6.138 6.125 1.00 24.02 O ATOM 1065 CB LYS A 63 -4.029 -7.685 6.867 1.00 74.00 C ATOM 1066 CG LYS A 63 -4.743 -8.989 6.950 1.00 61.23 C ATOM 1067 CD LYS A 63 -4.533 -9.789 5.665 1.00 53.30 C ATOM 1068 CE LYS A 63 -3.046 -9.995 5.376 1.00 74.34 C ATOM 1069 NZ LYS A 63 -2.367 -10.745 6.461 1.00 12.15 N ATOM 0 H LYS A 63 -2.571 -6.098 5.849 1.00 13.22 H new ATOM 0 HA LYS A 63 -4.919 -7.369 4.942 1.00 53.31 H new ATOM 0 HB2 LYS A 63 -2.967 -7.873 6.712 1.00 74.00 H new ATOM 0 HB3 LYS A 63 -4.125 -7.168 7.822 1.00 74.00 H new ATOM 0 HG2 LYS A 63 -4.378 -9.558 7.805 1.00 61.23 H new ATOM 0 HG3 LYS A 63 -5.808 -8.819 7.111 1.00 61.23 H new ATOM 0 HD2 LYS A 63 -5.026 -10.757 5.752 1.00 53.30 H new ATOM 0 HD3 LYS A 63 -4.999 -9.268 4.829 1.00 53.30 H new ATOM 0 HE2 LYS A 63 -2.931 -10.534 4.436 1.00 74.34 H new ATOM 0 HE3 LYS A 63 -2.564 -9.026 5.249 1.00 74.34 H new ATOM 0 HZ1 LYS A 63 -1.392 -10.966 6.173 1.00 12.15 H new ATOM 0 HZ2 LYS A 63 -2.350 -10.166 7.325 1.00 12.15 H new ATOM 0 HZ3 LYS A 63 -2.882 -11.629 6.647 1.00 12.15 H new ATOM 1083 N TRP A 64 -5.191 -4.879 7.015 1.00 25.42 N ATOM 1084 CA TRP A 64 -6.064 -3.956 7.677 1.00 2.03 C ATOM 1085 C TRP A 64 -6.785 -3.141 6.611 1.00 51.51 C ATOM 1086 O TRP A 64 -7.977 -2.859 6.737 1.00 25.13 O ATOM 1087 CB TRP A 64 -5.232 -3.041 8.571 1.00 14.04 C ATOM 1088 CG TRP A 64 -5.879 -2.630 9.850 1.00 24.20 C ATOM 1089 CD1 TRP A 64 -5.583 -3.125 11.092 1.00 23.13 C ATOM 1090 CD2 TRP A 64 -6.914 -1.651 10.036 1.00 60.13 C ATOM 1091 NE1 TRP A 64 -6.373 -2.513 12.032 1.00 4.14 N ATOM 1092 CE2 TRP A 64 -7.197 -1.607 11.412 1.00 44.44 C ATOM 1093 CE3 TRP A 64 -7.628 -0.812 9.174 1.00 73.03 C ATOM 1094 CZ2 TRP A 64 -8.159 -0.756 11.945 1.00 54.23 C ATOM 1095 CZ3 TRP A 64 -8.584 0.031 9.707 1.00 52.01 C ATOM 1096 CH2 TRP A 64 -8.842 0.054 11.079 1.00 74.23 C ATOM 0 H TRP A 64 -4.201 -4.658 7.124 1.00 25.42 H new ATOM 0 HA TRP A 64 -6.793 -4.481 8.294 1.00 2.03 H new ATOM 0 HB2 TRP A 64 -4.294 -3.545 8.804 1.00 14.04 H new ATOM 0 HB3 TRP A 64 -4.979 -2.143 8.007 1.00 14.04 H new ATOM 0 HD1 TRP A 64 -4.841 -3.882 11.300 1.00 23.13 H new ATOM 0 HE1 TRP A 64 -6.351 -2.702 13.034 1.00 4.14 H new ATOM 0 HE3 TRP A 64 -7.435 -0.823 8.111 1.00 73.03 H new ATOM 0 HZ2 TRP A 64 -8.360 -0.735 13.006 1.00 54.23 H new ATOM 0 HZ3 TRP A 64 -9.141 0.683 9.051 1.00 52.01 H new ATOM 0 HH2 TRP A 64 -9.596 0.725 11.465 1.00 74.23 H new ATOM 1107 N TYR A 65 -6.054 -2.782 5.535 1.00 4.31 N ATOM 1108 CA TYR A 65 -6.667 -2.062 4.445 1.00 41.02 C ATOM 1109 C TYR A 65 -7.719 -2.902 3.769 1.00 30.41 C ATOM 1110 O TYR A 65 -8.741 -2.396 3.391 1.00 25.53 O ATOM 1111 CB TYR A 65 -5.675 -1.511 3.405 1.00 3.40 C ATOM 1112 CG TYR A 65 -6.415 -0.724 2.330 1.00 42.24 C ATOM 1113 CD1 TYR A 65 -6.978 0.500 2.633 1.00 44.21 C ATOM 1114 CD2 TYR A 65 -6.606 -1.230 1.047 1.00 54.41 C ATOM 1115 CE1 TYR A 65 -7.698 1.206 1.694 1.00 40.24 C ATOM 1116 CE2 TYR A 65 -7.336 -0.529 0.106 1.00 72.14 C ATOM 1117 CZ TYR A 65 -7.878 0.687 0.442 1.00 20.43 C ATOM 1118 OH TYR A 65 -8.616 1.390 -0.483 1.00 42.45 O ATOM 0 H TYR A 65 -5.061 -2.982 5.416 1.00 4.31 H new ATOM 0 HA TYR A 65 -7.130 -1.190 4.906 1.00 41.02 H new ATOM 0 HB2 TYR A 65 -4.943 -0.869 3.896 1.00 3.40 H new ATOM 0 HB3 TYR A 65 -5.123 -2.333 2.948 1.00 3.40 H new ATOM 0 HD1 TYR A 65 -6.852 0.911 3.624 1.00 44.21 H new ATOM 0 HD2 TYR A 65 -6.177 -2.185 0.783 1.00 54.41 H new ATOM 0 HE1 TYR A 65 -8.119 2.168 1.947 1.00 40.24 H new ATOM 0 HE2 TYR A 65 -7.479 -0.934 -0.885 1.00 72.14 H new ATOM 0 HH TYR A 65 -8.457 2.350 -0.367 1.00 42.45 H new ATOM 1128 N ASN A 66 -7.470 -4.193 3.628 1.00 52.20 N ATOM 1129 CA ASN A 66 -8.470 -5.095 3.036 1.00 24.11 C ATOM 1130 C ASN A 66 -9.776 -5.085 3.825 1.00 21.30 C ATOM 1131 O ASN A 66 -10.862 -5.198 3.245 1.00 73.33 O ATOM 1132 CB ASN A 66 -7.938 -6.524 2.848 1.00 1.44 C ATOM 1133 CG ASN A 66 -7.019 -6.679 1.637 1.00 22.01 C ATOM 1134 OD1 ASN A 66 -7.478 -6.999 0.538 1.00 41.34 O ATOM 1135 ND2 ASN A 66 -5.746 -6.453 1.806 1.00 65.13 N ATOM 0 H ASN A 66 -6.599 -4.645 3.908 1.00 52.20 H new ATOM 0 HA ASN A 66 -8.683 -4.707 2.040 1.00 24.11 H new ATOM 0 HB2 ASN A 66 -7.396 -6.822 3.746 1.00 1.44 H new ATOM 0 HB3 ASN A 66 -8.782 -7.206 2.743 1.00 1.44 H new ATOM 0 HD21 ASN A 66 -5.104 -6.540 1.018 1.00 65.13 H new ATOM 0 HD22 ASN A 66 -5.392 -6.190 2.726 1.00 65.13 H new ATOM 1142 N ALA A 67 -9.672 -4.924 5.130 1.00 61.32 N ATOM 1143 CA ALA A 67 -10.847 -4.816 5.972 1.00 51.02 C ATOM 1144 C ALA A 67 -11.481 -3.428 5.801 1.00 41.10 C ATOM 1145 O ALA A 67 -12.656 -3.305 5.539 1.00 52.43 O ATOM 1146 CB ALA A 67 -10.480 -5.068 7.424 1.00 63.34 C ATOM 0 H ALA A 67 -8.785 -4.865 5.630 1.00 61.32 H new ATOM 0 HA ALA A 67 -11.574 -5.571 5.672 1.00 51.02 H new ATOM 0 HB1 ALA A 67 -11.372 -4.984 8.045 1.00 63.34 H new ATOM 0 HB2 ALA A 67 -10.061 -6.069 7.525 1.00 63.34 H new ATOM 0 HB3 ALA A 67 -9.743 -4.332 7.746 1.00 63.34 H new ATOM 1152 N TRP A 68 -10.661 -2.400 5.920 1.00 52.42 N ATOM 1153 CA TRP A 68 -11.072 -0.989 5.764 1.00 61.52 C ATOM 1154 C TRP A 68 -11.688 -0.712 4.373 1.00 0.22 C ATOM 1155 O TRP A 68 -12.691 0.000 4.256 1.00 24.20 O ATOM 1156 CB TRP A 68 -9.840 -0.113 6.048 1.00 31.21 C ATOM 1157 CG TRP A 68 -9.918 1.322 5.638 1.00 11.02 C ATOM 1158 CD1 TRP A 68 -9.463 1.827 4.469 1.00 23.44 C ATOM 1159 CD2 TRP A 68 -10.444 2.436 6.370 1.00 53.24 C ATOM 1160 NE1 TRP A 68 -9.654 3.164 4.418 1.00 32.45 N ATOM 1161 CE2 TRP A 68 -10.258 3.573 5.561 1.00 14.22 C ATOM 1162 CE3 TRP A 68 -11.050 2.598 7.619 1.00 12.02 C ATOM 1163 CZ2 TRP A 68 -10.649 4.838 5.943 1.00 23.32 C ATOM 1164 CZ3 TRP A 68 -11.439 3.873 7.999 1.00 15.12 C ATOM 1165 CH2 TRP A 68 -11.230 4.974 7.150 1.00 52.42 C ATOM 0 H TRP A 68 -9.669 -2.509 6.132 1.00 52.42 H new ATOM 0 HA TRP A 68 -11.864 -0.749 6.473 1.00 61.52 H new ATOM 0 HB2 TRP A 68 -9.639 -0.149 7.119 1.00 31.21 H new ATOM 0 HB3 TRP A 68 -8.982 -0.562 5.547 1.00 31.21 H new ATOM 0 HD1 TRP A 68 -9.009 1.242 3.683 1.00 23.44 H new ATOM 0 HE1 TRP A 68 -9.386 3.770 3.642 1.00 32.45 H new ATOM 0 HE3 TRP A 68 -11.211 1.752 8.271 1.00 12.02 H new ATOM 0 HZ2 TRP A 68 -10.495 5.690 5.297 1.00 23.32 H new ATOM 0 HZ3 TRP A 68 -11.909 4.023 8.960 1.00 15.12 H new ATOM 0 HH2 TRP A 68 -11.544 5.955 7.475 1.00 52.42 H new ATOM 1176 N ASN A 69 -11.105 -1.300 3.347 1.00 32.23 N ATOM 1177 CA ASN A 69 -11.577 -1.162 1.963 1.00 15.24 C ATOM 1178 C ASN A 69 -12.988 -1.706 1.839 1.00 53.22 C ATOM 1179 O ASN A 69 -13.794 -1.175 1.100 1.00 5.04 O ATOM 1180 CB ASN A 69 -10.634 -1.905 0.990 1.00 41.51 C ATOM 1181 CG ASN A 69 -11.051 -1.808 -0.480 1.00 13.51 C ATOM 1182 OD1 ASN A 69 -11.814 -2.644 -0.981 1.00 72.34 O ATOM 1183 ND2 ASN A 69 -10.535 -0.819 -1.181 1.00 75.13 N ATOM 0 H ASN A 69 -10.282 -1.895 3.440 1.00 32.23 H new ATOM 0 HA ASN A 69 -11.579 -0.104 1.701 1.00 15.24 H new ATOM 0 HB2 ASN A 69 -9.627 -1.502 1.098 1.00 41.51 H new ATOM 0 HB3 ASN A 69 -10.589 -2.956 1.275 1.00 41.51 H new ATOM 0 HD21 ASN A 69 -10.761 -0.724 -2.171 1.00 75.13 H new ATOM 0 HD22 ASN A 69 -9.910 -0.149 -0.734 1.00 75.13 H new ATOM 1190 N GLU A 70 -13.285 -2.746 2.609 1.00 41.20 N ATOM 1191 CA GLU A 70 -14.611 -3.357 2.635 1.00 42.13 C ATOM 1192 C GLU A 70 -15.639 -2.343 3.149 1.00 45.50 C ATOM 1193 O GLU A 70 -16.785 -2.311 2.704 1.00 2.21 O ATOM 1194 CB GLU A 70 -14.571 -4.625 3.507 1.00 61.35 C ATOM 1195 CG GLU A 70 -15.877 -5.386 3.620 1.00 21.20 C ATOM 1196 CD GLU A 70 -15.725 -6.665 4.412 1.00 53.22 C ATOM 1197 OE1 GLU A 70 -15.120 -7.625 3.877 1.00 40.14 O ATOM 1198 OE2 GLU A 70 -16.188 -6.730 5.585 1.00 62.20 O ATOM 0 H GLU A 70 -12.613 -3.191 3.234 1.00 41.20 H new ATOM 0 HA GLU A 70 -14.911 -3.649 1.629 1.00 42.13 H new ATOM 0 HB2 GLU A 70 -13.814 -5.297 3.104 1.00 61.35 H new ATOM 0 HB3 GLU A 70 -14.247 -4.344 4.509 1.00 61.35 H new ATOM 0 HG2 GLU A 70 -16.625 -4.752 4.096 1.00 21.20 H new ATOM 0 HG3 GLU A 70 -16.247 -5.620 2.622 1.00 21.20 H new ATOM 1205 N LYS A 71 -15.207 -1.490 4.046 1.00 23.00 N ATOM 1206 CA LYS A 71 -16.066 -0.458 4.577 1.00 74.24 C ATOM 1207 C LYS A 71 -16.206 0.700 3.601 1.00 62.40 C ATOM 1208 O LYS A 71 -17.269 1.306 3.506 1.00 42.44 O ATOM 1209 CB LYS A 71 -15.602 0.039 5.962 1.00 73.31 C ATOM 1210 CG LYS A 71 -15.827 -0.940 7.120 1.00 44.42 C ATOM 1211 CD LYS A 71 -14.973 -2.186 7.015 1.00 40.40 C ATOM 1212 CE LYS A 71 -15.227 -3.164 8.153 1.00 65.41 C ATOM 1213 NZ LYS A 71 -15.001 -2.546 9.476 1.00 5.42 N ATOM 0 H LYS A 71 -14.260 -1.490 4.426 1.00 23.00 H new ATOM 0 HA LYS A 71 -17.049 -0.909 4.714 1.00 74.24 H new ATOM 0 HB2 LYS A 71 -14.539 0.273 5.908 1.00 73.31 H new ATOM 0 HB3 LYS A 71 -16.122 0.970 6.189 1.00 73.31 H new ATOM 0 HG2 LYS A 71 -15.611 -0.436 8.062 1.00 44.42 H new ATOM 0 HG3 LYS A 71 -16.878 -1.228 7.147 1.00 44.42 H new ATOM 0 HD2 LYS A 71 -15.172 -2.680 6.064 1.00 40.40 H new ATOM 0 HD3 LYS A 71 -13.921 -1.902 7.012 1.00 40.40 H new ATOM 0 HE2 LYS A 71 -16.252 -3.530 8.094 1.00 65.41 H new ATOM 0 HE3 LYS A 71 -14.573 -4.029 8.040 1.00 65.41 H new ATOM 0 HZ1 LYS A 71 -14.985 -3.286 10.207 1.00 5.42 H new ATOM 0 HZ2 LYS A 71 -14.091 -2.042 9.473 1.00 5.42 H new ATOM 0 HZ3 LYS A 71 -15.768 -1.874 9.681 1.00 5.42 H new ATOM 1227 N ARG A 72 -15.148 0.995 2.871 1.00 12.00 N ATOM 1228 CA ARG A 72 -15.190 2.089 1.888 1.00 63.11 C ATOM 1229 C ARG A 72 -15.906 1.681 0.607 1.00 0.43 C ATOM 1230 O ARG A 72 -16.583 2.492 -0.017 1.00 32.13 O ATOM 1231 CB ARG A 72 -13.816 2.637 1.557 1.00 64.31 C ATOM 1232 CG ARG A 72 -13.050 3.167 2.744 1.00 62.54 C ATOM 1233 CD ARG A 72 -11.846 3.949 2.283 1.00 0.34 C ATOM 1234 NE ARG A 72 -12.252 5.170 1.572 1.00 54.34 N ATOM 1235 CZ ARG A 72 -11.545 5.812 0.641 1.00 3.15 C ATOM 1236 NH1 ARG A 72 -10.360 5.352 0.261 1.00 75.24 N ATOM 1237 NH2 ARG A 72 -12.037 6.917 0.082 1.00 24.45 N ATOM 0 H ARG A 72 -14.254 0.507 2.929 1.00 12.00 H new ATOM 0 HA ARG A 72 -15.760 2.885 2.367 1.00 63.11 H new ATOM 0 HB2 ARG A 72 -13.229 1.849 1.084 1.00 64.31 H new ATOM 0 HB3 ARG A 72 -13.925 3.437 0.824 1.00 64.31 H new ATOM 0 HG2 ARG A 72 -13.696 3.804 3.348 1.00 62.54 H new ATOM 0 HG3 ARG A 72 -12.733 2.340 3.380 1.00 62.54 H new ATOM 0 HD2 ARG A 72 -11.228 4.212 3.142 1.00 0.34 H new ATOM 0 HD3 ARG A 72 -11.234 3.329 1.628 1.00 0.34 H new ATOM 0 HE ARG A 72 -13.161 5.564 1.814 1.00 54.34 H new ATOM 0 HH11 ARG A 72 -9.984 4.502 0.681 1.00 75.24 H new ATOM 0 HH12 ARG A 72 -9.825 5.848 -0.452 1.00 75.24 H new ATOM 0 HH21 ARG A 72 -12.951 7.269 0.366 1.00 24.45 H new ATOM 0 HH22 ARG A 72 -11.499 7.411 -0.630 1.00 24.45 H new ATOM 1251 N ARG A 73 -15.741 0.426 0.205 1.00 13.55 N ATOM 1252 CA ARG A 73 -16.448 -0.108 -0.961 1.00 12.25 C ATOM 1253 C ARG A 73 -17.910 -0.330 -0.566 1.00 65.21 C ATOM 1254 O ARG A 73 -18.801 -0.448 -1.406 1.00 44.04 O ATOM 1255 CB ARG A 73 -15.794 -1.419 -1.440 1.00 30.23 C ATOM 1256 CG ARG A 73 -16.423 -2.020 -2.694 1.00 32.20 C ATOM 1257 CD ARG A 73 -16.318 -1.076 -3.887 1.00 22.31 C ATOM 1258 NE ARG A 73 -14.930 -0.818 -4.281 1.00 54.31 N ATOM 1259 CZ ARG A 73 -14.560 -0.010 -5.285 1.00 21.31 C ATOM 1260 NH1 ARG A 73 -15.479 0.629 -6.004 1.00 62.41 N ATOM 1261 NH2 ARG A 73 -13.277 0.148 -5.569 1.00 21.14 N ATOM 0 H ARG A 73 -15.125 -0.243 0.667 1.00 13.55 H new ATOM 0 HA ARG A 73 -16.394 0.596 -1.791 1.00 12.25 H new ATOM 0 HB2 ARG A 73 -14.737 -1.234 -1.632 1.00 30.23 H new ATOM 0 HB3 ARG A 73 -15.848 -2.152 -0.635 1.00 30.23 H new ATOM 0 HG2 ARG A 73 -15.930 -2.963 -2.932 1.00 32.20 H new ATOM 0 HG3 ARG A 73 -17.471 -2.248 -2.502 1.00 32.20 H new ATOM 0 HD2 ARG A 73 -16.858 -1.503 -4.732 1.00 22.31 H new ATOM 0 HD3 ARG A 73 -16.804 -0.132 -3.642 1.00 22.31 H new ATOM 0 HE ARG A 73 -14.193 -1.286 -3.754 1.00 54.31 H new ATOM 0 HH11 ARG A 73 -16.469 0.505 -5.792 1.00 62.41 H new ATOM 0 HH12 ARG A 73 -15.194 1.243 -6.767 1.00 62.41 H new ATOM 0 HH21 ARG A 73 -12.570 -0.345 -5.024 1.00 21.14 H new ATOM 0 HH22 ARG A 73 -12.996 0.763 -6.333 1.00 21.14 H new ATOM 1275 N VAL A 74 -18.105 -0.376 0.735 1.00 43.11 N ATOM 1276 CA VAL A 74 -19.391 -0.447 1.397 1.00 1.23 C ATOM 1277 C VAL A 74 -20.001 -1.817 1.369 1.00 51.43 C ATOM 1278 O VAL A 74 -20.767 -2.200 0.470 1.00 44.52 O ATOM 1279 CB VAL A 74 -20.412 0.619 0.950 1.00 41.11 C ATOM 1280 CG1 VAL A 74 -21.703 0.539 1.774 1.00 44.23 C ATOM 1281 CG2 VAL A 74 -19.829 2.026 0.988 1.00 42.10 C ATOM 0 H VAL A 74 -17.328 -0.364 1.395 1.00 43.11 H new ATOM 0 HA VAL A 74 -19.147 -0.213 2.433 1.00 1.23 H new ATOM 0 HB VAL A 74 -20.659 0.399 -0.089 1.00 41.11 H new ATOM 0 HG11 VAL A 74 -22.400 1.304 1.433 1.00 44.23 H new ATOM 0 HG12 VAL A 74 -22.154 -0.445 1.649 1.00 44.23 H new ATOM 0 HG13 VAL A 74 -21.473 0.701 2.827 1.00 44.23 H new ATOM 0 HG21 VAL A 74 -20.585 2.742 0.665 1.00 42.10 H new ATOM 0 HG22 VAL A 74 -19.516 2.263 2.005 1.00 42.10 H new ATOM 0 HG23 VAL A 74 -18.968 2.081 0.321 1.00 42.10 H new ATOM 1291 N TYR A 75 -19.577 -2.550 2.295 1.00 35.55 N ATOM 1292 CA TYR A 75 -20.139 -3.812 2.646 1.00 15.02 C ATOM 1293 C TYR A 75 -20.549 -3.717 4.082 1.00 51.13 C ATOM 1294 O TYR A 75 -19.867 -4.218 4.982 1.00 61.32 O ATOM 1295 CB TYR A 75 -19.178 -4.992 2.454 1.00 40.30 C ATOM 1296 CG TYR A 75 -18.815 -5.321 1.025 1.00 54.21 C ATOM 1297 CD1 TYR A 75 -17.805 -4.642 0.361 1.00 34.54 C ATOM 1298 CD2 TYR A 75 -19.477 -6.336 0.348 1.00 1.34 C ATOM 1299 CE1 TYR A 75 -17.469 -4.963 -0.937 1.00 33.12 C ATOM 1300 CE2 TYR A 75 -19.147 -6.661 -0.949 1.00 32.24 C ATOM 1301 CZ TYR A 75 -18.146 -5.974 -1.585 1.00 73.53 C ATOM 1302 OH TYR A 75 -17.815 -6.298 -2.883 1.00 64.13 O ATOM 0 H TYR A 75 -18.781 -2.291 2.878 1.00 35.55 H new ATOM 0 HA TYR A 75 -20.980 -4.014 1.983 1.00 15.02 H new ATOM 0 HB2 TYR A 75 -18.260 -4.781 3.002 1.00 40.30 H new ATOM 0 HB3 TYR A 75 -19.624 -5.877 2.908 1.00 40.30 H new ATOM 0 HD1 TYR A 75 -17.274 -3.850 0.868 1.00 34.54 H new ATOM 0 HD2 TYR A 75 -20.265 -6.881 0.847 1.00 1.34 H new ATOM 0 HE1 TYR A 75 -16.680 -4.426 -1.443 1.00 33.12 H new ATOM 0 HE2 TYR A 75 -19.674 -7.452 -1.462 1.00 32.24 H new ATOM 0 HH TYR A 75 -18.386 -7.032 -3.193 1.00 64.13 H new ATOM 1312 N GLU A 76 -21.593 -2.992 4.317 1.00 35.14 N ATOM 1313 CA GLU A 76 -22.047 -2.785 5.646 1.00 12.23 C ATOM 1314 C GLU A 76 -23.486 -3.130 5.711 1.00 43.40 C ATOM 1315 O GLU A 76 -24.375 -2.325 5.395 1.00 10.34 O ATOM 1316 CB GLU A 76 -21.787 -1.370 6.098 1.00 65.11 C ATOM 1317 CG GLU A 76 -22.075 -1.124 7.562 1.00 61.13 C ATOM 1318 CD GLU A 76 -21.252 -2.018 8.451 1.00 35.40 C ATOM 1319 OE1 GLU A 76 -20.050 -1.723 8.673 1.00 24.15 O ATOM 1320 OE2 GLU A 76 -21.780 -3.031 8.933 1.00 13.04 O ATOM 0 H GLU A 76 -22.149 -2.531 3.597 1.00 35.14 H new ATOM 0 HA GLU A 76 -21.494 -3.430 6.329 1.00 12.23 H new ATOM 0 HB2 GLU A 76 -20.745 -1.122 5.898 1.00 65.11 H new ATOM 0 HB3 GLU A 76 -22.396 -0.692 5.500 1.00 65.11 H new ATOM 0 HG2 GLU A 76 -21.868 -0.081 7.803 1.00 61.13 H new ATOM 0 HG3 GLU A 76 -23.134 -1.292 7.758 1.00 61.13 H new ATOM 1327 N GLU A 77 -23.699 -4.323 6.060 1.00 11.23 N ATOM 1328 CA GLU A 77 -24.988 -4.912 6.084 1.00 3.25 C ATOM 1329 C GLU A 77 -24.894 -6.137 6.978 1.00 60.14 C ATOM 1330 O GLU A 77 -24.792 -7.272 6.467 1.00 38.39 O ATOM 1331 CB GLU A 77 -25.340 -5.286 4.637 1.00 14.25 C ATOM 1332 CG GLU A 77 -26.724 -5.832 4.388 1.00 74.42 C ATOM 1333 CD GLU A 77 -26.895 -6.168 2.934 1.00 55.52 C ATOM 1334 OE1 GLU A 77 -26.557 -7.305 2.535 1.00 53.13 O ATOM 1335 OE2 GLU A 77 -27.335 -5.295 2.155 1.00 70.25 O ATOM 1336 OXT GLU A 77 -24.802 -5.948 8.211 1.00 38.39 O ATOM 0 H GLU A 77 -22.956 -4.957 6.353 1.00 11.23 H new ATOM 0 HA GLU A 77 -25.763 -4.250 6.471 1.00 3.25 H new ATOM 0 HB2 GLU A 77 -25.209 -4.399 4.017 1.00 14.25 H new ATOM 0 HB3 GLU A 77 -24.617 -6.026 4.293 1.00 14.25 H new ATOM 0 HG2 GLU A 77 -26.887 -6.722 4.996 1.00 74.42 H new ATOM 0 HG3 GLU A 77 -27.472 -5.099 4.690 1.00 74.42 H new TER 1343 GLU A 77