USER MOD reduce.3.24.130724 H: found=0, std=0, add=1054, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1052 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 ASN : amide:sc= 1.66 K(o=2.6,f=-2.1) USER MOD Set 1.2: B 65 ASN : amide:sc= 0.961 K(o=2.6,f=0.82) USER MOD Set 2.1: A 0 SER OG : rot 180:sc= 0.288 USER MOD Set 2.2: A -3 GLY N :NH3+ -147:sc= 0.305 (180deg=0) USER MOD Single : A 1 MET CE :methyl 169:sc= -0.0012 (180deg=-0.152) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 1.25 (180deg=1.18) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0471 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 109:sc= 0.735 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.359 X(o=0.36,f=-0.0097) USER MOD Single : B 0 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -170:sc= 0 (180deg=-0.0851) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.15) USER MOD Single : B 9 THR OG1 : rot 162:sc= 0.852 USER MOD Single : B -3 GLY N :NH3+ -128:sc= 0.0579 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ -154:sc= 1.22 (180deg=0.781) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot -65:sc= 0.086 USER MOD Single : B 41 HIS : no HD1:sc= -0.0561 X(o=-0.056,f=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 64 GLN : amide:sc= 0.997 K(o=1,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 5.732 4.643 -3.959 1.00 0.00 N ATOM 2 CA GLY A -3 5.351 5.782 -4.822 1.00 0.00 C ATOM 3 C GLY A -3 4.100 6.459 -4.287 1.00 0.00 C ATOM 4 O GLY A -3 4.143 6.989 -3.173 1.00 0.00 O ATOM 0 H1 GLY A -3 6.767 4.547 -3.948 1.00 0.00 H new ATOM 0 H2 GLY A -3 5.390 4.811 -2.991 1.00 0.00 H new ATOM 0 H3 GLY A -3 5.307 3.769 -4.330 1.00 0.00 H new ATOM 0 HA2 GLY A -3 6.169 6.501 -4.868 1.00 0.00 H new ATOM 0 HA3 GLY A -3 5.176 5.433 -5.839 1.00 0.00 H new ATOM 10 N PRO A -2 2.975 6.465 -5.029 1.00 0.00 N ATOM 11 CA PRO A -2 1.718 7.057 -4.565 1.00 0.00 C ATOM 12 C PRO A -2 1.182 6.342 -3.312 1.00 0.00 C ATOM 13 O PRO A -2 1.208 5.112 -3.218 1.00 0.00 O ATOM 14 CB PRO A -2 0.756 6.958 -5.759 1.00 0.00 C ATOM 15 CG PRO A -2 1.277 5.752 -6.537 1.00 0.00 C ATOM 16 CD PRO A -2 2.788 5.851 -6.344 1.00 0.00 C ATOM 0 HA PRO A -2 1.847 8.094 -4.254 1.00 0.00 H new ATOM 0 HB2 PRO A -2 -0.274 6.811 -5.434 1.00 0.00 H new ATOM 0 HB3 PRO A -2 0.773 7.864 -6.364 1.00 0.00 H new ATOM 0 HG2 PRO A -2 0.880 4.816 -6.145 1.00 0.00 H new ATOM 0 HG3 PRO A -2 1.000 5.800 -7.590 1.00 0.00 H new ATOM 0 HD2 PRO A -2 3.254 4.867 -6.387 1.00 0.00 H new ATOM 0 HD3 PRO A -2 3.245 6.455 -7.128 1.00 0.00 H new ATOM 24 N GLY A -1 0.701 7.118 -2.332 1.00 0.00 N ATOM 25 CA GLY A -1 0.202 6.621 -1.041 1.00 0.00 C ATOM 26 C GLY A -1 1.285 6.198 -0.029 1.00 0.00 C ATOM 27 O GLY A -1 0.932 5.667 1.030 1.00 0.00 O ATOM 0 H GLY A -1 0.646 8.133 -2.416 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -0.413 7.398 -0.586 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -0.450 5.767 -1.227 1.00 0.00 H new ATOM 31 N SER A 0 2.576 6.427 -0.318 1.00 0.00 N ATOM 32 CA SER A 0 3.695 6.162 0.608 1.00 0.00 C ATOM 33 C SER A 0 4.766 7.264 0.608 1.00 0.00 C ATOM 34 O SER A 0 5.222 7.671 1.682 1.00 0.00 O ATOM 35 CB SER A 0 4.313 4.784 0.335 1.00 0.00 C ATOM 36 OG SER A 0 4.907 4.692 -0.952 1.00 0.00 O ATOM 0 H SER A 0 2.879 6.807 -1.215 1.00 0.00 H new ATOM 0 HA SER A 0 3.269 6.164 1.611 1.00 0.00 H new ATOM 0 HB2 SER A 0 5.066 4.572 1.094 1.00 0.00 H new ATOM 0 HB3 SER A 0 3.542 4.020 0.430 1.00 0.00 H new ATOM 0 HG SER A 0 5.286 3.797 -1.074 1.00 0.00 H new ATOM 42 N MET A 1 5.108 7.817 -0.563 1.00 0.00 N ATOM 43 CA MET A 1 5.836 9.090 -0.686 1.00 0.00 C ATOM 44 C MET A 1 4.890 10.294 -0.557 1.00 0.00 C ATOM 45 O MET A 1 3.693 10.212 -0.851 1.00 0.00 O ATOM 46 CB MET A 1 6.583 9.164 -2.032 1.00 0.00 C ATOM 47 CG MET A 1 7.703 8.126 -2.142 1.00 0.00 C ATOM 48 SD MET A 1 8.605 8.158 -3.718 1.00 0.00 S ATOM 49 CE MET A 1 9.448 9.763 -3.598 1.00 0.00 C ATOM 0 H MET A 1 4.885 7.390 -1.462 1.00 0.00 H new ATOM 0 HA MET A 1 6.559 9.129 0.129 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.873 9.015 -2.846 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.004 10.162 -2.155 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.411 8.286 -1.329 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.276 7.133 -2.002 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.190 9.844 -4.392 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.718 10.566 -3.700 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.942 9.843 -2.630 1.00 0.00 H new ATOM 59 N CYS A 2 5.446 11.441 -0.162 1.00 0.00 N ATOM 60 CA CYS A 2 4.759 12.734 -0.101 1.00 0.00 C ATOM 61 C CYS A 2 5.748 13.896 -0.335 1.00 0.00 C ATOM 62 O CYS A 2 6.958 13.684 -0.431 1.00 0.00 O ATOM 63 CB CYS A 2 4.007 12.826 1.239 1.00 0.00 C ATOM 64 SG CYS A 2 2.767 14.149 1.350 1.00 0.00 S ATOM 0 H CYS A 2 6.420 11.498 0.135 1.00 0.00 H new ATOM 0 HA CYS A 2 4.025 12.817 -0.902 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.513 11.872 1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 2 4.737 12.968 2.036 1.00 0.00 H new ATOM 69 N MET A 3 5.238 15.125 -0.452 1.00 0.00 N ATOM 70 CA MET A 3 5.991 16.346 -0.779 1.00 0.00 C ATOM 71 C MET A 3 5.317 17.593 -0.179 1.00 0.00 C ATOM 72 O MET A 3 4.118 17.585 0.111 1.00 0.00 O ATOM 73 CB MET A 3 6.146 16.456 -2.307 1.00 0.00 C ATOM 74 CG MET A 3 4.801 16.610 -3.042 1.00 0.00 C ATOM 75 SD MET A 3 4.830 16.167 -4.805 1.00 0.00 S ATOM 76 CE MET A 3 5.891 17.477 -5.455 1.00 0.00 C ATOM 0 H MET A 3 4.244 15.308 -0.316 1.00 0.00 H new ATOM 0 HA MET A 3 6.984 16.286 -0.334 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.781 17.311 -2.541 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.657 15.568 -2.679 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.057 15.991 -2.540 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.470 17.644 -2.949 1.00 0.00 H new ATOM 0 HE1 MET A 3 6.010 17.349 -6.531 1.00 0.00 H new ATOM 0 HE2 MET A 3 5.437 18.447 -5.253 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.868 17.427 -4.973 1.00 0.00 H new ATOM 86 N ALA A 4 6.092 18.659 0.026 1.00 0.00 N ATOM 87 CA ALA A 4 5.672 19.883 0.724 1.00 0.00 C ATOM 88 C ALA A 4 6.152 21.162 0.007 1.00 0.00 C ATOM 89 O ALA A 4 6.794 21.104 -1.049 1.00 0.00 O ATOM 90 CB ALA A 4 6.206 19.793 2.166 1.00 0.00 C ATOM 0 H ALA A 4 7.059 18.699 -0.297 1.00 0.00 H new ATOM 0 HA ALA A 4 4.584 19.954 0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.914 20.686 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.789 18.912 2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.293 19.717 2.147 1.00 0.00 H new ATOM 96 N LYS A 5 5.887 22.326 0.610 1.00 0.00 N ATOM 97 CA LYS A 5 6.553 23.599 0.288 1.00 0.00 C ATOM 98 C LYS A 5 7.194 24.240 1.522 1.00 0.00 C ATOM 99 O LYS A 5 6.692 24.100 2.636 1.00 0.00 O ATOM 100 CB LYS A 5 5.605 24.560 -0.460 1.00 0.00 C ATOM 101 CG LYS A 5 4.436 25.108 0.378 1.00 0.00 C ATOM 102 CD LYS A 5 3.711 26.214 -0.405 1.00 0.00 C ATOM 103 CE LYS A 5 2.631 26.882 0.449 1.00 0.00 C ATOM 104 NZ LYS A 5 2.075 28.068 -0.244 1.00 0.00 N1+ ATOM 0 H LYS A 5 5.191 22.414 1.350 1.00 0.00 H new ATOM 0 HA LYS A 5 7.373 23.375 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.188 25.401 -0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.198 24.041 -1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.740 24.304 0.619 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.807 25.502 1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.432 26.962 -0.734 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.259 25.791 -1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.833 26.169 0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.052 27.180 1.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.406 28.556 0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.848 28.716 -0.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.580 27.765 -1.107 1.00 0.00 H new ATOM 118 N VAL A 6 8.296 24.954 1.311 1.00 0.00 N ATOM 119 CA VAL A 6 8.948 25.799 2.329 1.00 0.00 C ATOM 120 C VAL A 6 8.525 27.260 2.161 1.00 0.00 C ATOM 121 O VAL A 6 8.389 27.723 1.029 1.00 0.00 O ATOM 122 CB VAL A 6 10.477 25.611 2.286 1.00 0.00 C ATOM 123 CG1 VAL A 6 11.270 26.741 2.942 1.00 0.00 C ATOM 124 CG2 VAL A 6 10.853 24.303 2.989 1.00 0.00 C ATOM 0 H VAL A 6 8.777 24.967 0.412 1.00 0.00 H new ATOM 0 HA VAL A 6 8.620 25.488 3.321 1.00 0.00 H new ATOM 0 HB VAL A 6 10.740 25.602 1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.336 26.528 2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.051 27.681 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.989 26.821 3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.935 24.171 2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.522 24.339 4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.371 23.466 2.483 1.00 0.00 H new ATOM 134 N VAL A 7 8.363 27.987 3.272 1.00 0.00 N ATOM 135 CA VAL A 7 8.097 29.439 3.315 1.00 0.00 C ATOM 136 C VAL A 7 9.040 30.158 4.287 1.00 0.00 C ATOM 137 O VAL A 7 9.323 29.664 5.383 1.00 0.00 O ATOM 138 CB VAL A 7 6.602 29.732 3.584 1.00 0.00 C ATOM 139 CG1 VAL A 7 6.082 29.133 4.896 1.00 0.00 C ATOM 140 CG2 VAL A 7 6.311 31.242 3.601 1.00 0.00 C ATOM 0 H VAL A 7 8.414 27.571 4.202 1.00 0.00 H new ATOM 0 HA VAL A 7 8.314 29.850 2.329 1.00 0.00 H new ATOM 0 HB VAL A 7 6.079 29.252 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.027 29.380 5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.201 28.050 4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.648 29.543 5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.251 31.406 3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.900 31.717 4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.576 31.675 2.636 1.00 0.00 H new ATOM 150 N LEU A 8 9.535 31.330 3.871 1.00 0.00 N ATOM 151 CA LEU A 8 10.407 32.229 4.637 1.00 0.00 C ATOM 152 C LEU A 8 10.211 33.697 4.207 1.00 0.00 C ATOM 153 O LEU A 8 9.687 33.968 3.122 1.00 0.00 O ATOM 154 CB LEU A 8 11.877 31.769 4.486 1.00 0.00 C ATOM 155 CG LEU A 8 12.498 31.971 3.086 1.00 0.00 C ATOM 156 CD1 LEU A 8 13.329 33.260 3.011 1.00 0.00 C ATOM 157 CD2 LEU A 8 13.422 30.811 2.708 1.00 0.00 C ATOM 0 H LEU A 8 9.327 31.696 2.942 1.00 0.00 H new ATOM 0 HA LEU A 8 10.138 32.179 5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.484 32.307 5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.936 30.711 4.741 1.00 0.00 H new ATOM 0 HG LEU A 8 11.657 32.027 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.748 33.365 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.692 34.117 3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.138 33.214 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.841 30.987 1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.230 30.738 3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.854 29.881 2.702 1.00 0.00 H new ATOM 169 N THR A 9 10.663 34.648 5.033 1.00 0.00 N ATOM 170 CA THR A 9 10.662 36.088 4.710 1.00 0.00 C ATOM 171 C THR A 9 11.982 36.738 5.139 1.00 0.00 C ATOM 172 O THR A 9 12.441 36.539 6.270 1.00 0.00 O ATOM 173 CB THR A 9 9.454 36.802 5.351 1.00 0.00 C ATOM 174 OG1 THR A 9 8.235 36.214 4.945 1.00 0.00 O ATOM 175 CG2 THR A 9 9.344 38.277 4.961 1.00 0.00 C ATOM 0 H THR A 9 11.045 34.442 5.956 1.00 0.00 H new ATOM 0 HA THR A 9 10.569 36.193 3.629 1.00 0.00 H new ATOM 0 HB THR A 9 9.624 36.706 6.423 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.487 36.686 5.368 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.473 38.718 5.446 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.243 38.805 5.279 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.237 38.360 3.879 1.00 0.00 H new ATOM 183 N LYS A 10 12.603 37.512 4.238 1.00 0.00 N ATOM 184 CA LYS A 10 13.873 38.230 4.460 1.00 0.00 C ATOM 185 C LYS A 10 13.745 39.359 5.489 1.00 0.00 C ATOM 186 O LYS A 10 12.653 39.876 5.728 1.00 0.00 O ATOM 187 CB LYS A 10 14.373 38.813 3.127 1.00 0.00 C ATOM 188 CG LYS A 10 14.647 37.753 2.047 1.00 0.00 C ATOM 189 CD LYS A 10 15.067 38.427 0.732 1.00 0.00 C ATOM 190 CE LYS A 10 15.091 37.376 -0.385 1.00 0.00 C ATOM 191 NZ LYS A 10 15.607 37.943 -1.661 1.00 0.00 N1+ ATOM 0 H LYS A 10 12.225 37.663 3.303 1.00 0.00 H new ATOM 0 HA LYS A 10 14.585 37.507 4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.633 39.519 2.750 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.288 39.377 3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.432 37.076 2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.754 37.150 1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.371 39.227 0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.051 38.883 0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.715 36.536 -0.081 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.085 36.986 -0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.609 37.205 -2.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 14.997 38.729 -1.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.576 38.292 -1.519 1.00 0.00 H new ATOM 205 N ALA A 11 14.879 39.827 6.011 1.00 0.00 N ATOM 206 CA ALA A 11 14.965 41.028 6.856 1.00 0.00 C ATOM 207 C ALA A 11 14.511 42.312 6.119 1.00 0.00 C ATOM 208 O ALA A 11 14.009 43.253 6.738 1.00 0.00 O ATOM 209 CB ALA A 11 16.409 41.159 7.348 1.00 0.00 C ATOM 0 H ALA A 11 15.782 39.377 5.858 1.00 0.00 H new ATOM 0 HA ALA A 11 14.282 40.915 7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.500 42.044 7.978 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.679 40.274 7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 11 17.078 41.253 6.492 1.00 0.00 H new ATOM 215 N ASP A 12 14.640 42.334 4.786 1.00 0.00 N ATOM 216 CA ASP A 12 14.136 43.395 3.897 1.00 0.00 C ATOM 217 C ASP A 12 12.609 43.331 3.645 1.00 0.00 C ATOM 218 O ASP A 12 12.058 44.187 2.948 1.00 0.00 O ATOM 219 CB ASP A 12 14.909 43.293 2.570 1.00 0.00 C ATOM 220 CG ASP A 12 16.420 43.562 2.674 1.00 0.00 C ATOM 221 OD1 ASP A 12 17.163 43.095 1.777 1.00 0.00 O ATOM 222 OD2 ASP A 12 16.881 44.259 3.608 1.00 0.00 O1- ATOM 0 H ASP A 12 15.114 41.588 4.277 1.00 0.00 H new ATOM 0 HA ASP A 12 14.300 44.355 4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.761 42.295 2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.478 43.999 1.861 1.00 0.00 H new ATOM 227 N GLY A 13 11.914 42.321 4.194 1.00 0.00 N ATOM 228 CA GLY A 13 10.470 42.097 4.027 1.00 0.00 C ATOM 229 C GLY A 13 10.089 41.287 2.779 1.00 0.00 C ATOM 230 O GLY A 13 8.897 41.149 2.476 1.00 0.00 O ATOM 0 H GLY A 13 12.356 41.617 4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.091 41.580 4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.968 43.064 3.984 1.00 0.00 H new ATOM 234 N GLY A 14 11.066 40.752 2.037 1.00 0.00 N ATOM 235 CA GLY A 14 10.832 39.936 0.841 1.00 0.00 C ATOM 236 C GLY A 14 10.411 38.504 1.189 1.00 0.00 C ATOM 237 O GLY A 14 11.227 37.726 1.689 1.00 0.00 O ATOM 0 H GLY A 14 12.055 40.876 2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.058 40.402 0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.740 39.909 0.238 1.00 0.00 H new ATOM 241 N ARG A 15 9.148 38.138 0.936 1.00 0.00 N ATOM 242 CA ARG A 15 8.636 36.763 1.096 1.00 0.00 C ATOM 243 C ARG A 15 9.117 35.852 -0.037 1.00 0.00 C ATOM 244 O ARG A 15 9.117 36.254 -1.203 1.00 0.00 O ATOM 245 CB ARG A 15 7.105 36.805 1.227 1.00 0.00 C ATOM 246 CG ARG A 15 6.484 35.424 1.480 1.00 0.00 C ATOM 247 CD ARG A 15 4.998 35.583 1.835 1.00 0.00 C ATOM 248 NE ARG A 15 4.314 34.278 1.926 1.00 0.00 N ATOM 249 CZ ARG A 15 3.321 33.937 2.728 1.00 0.00 C ATOM 250 NH1 ARG A 15 2.848 34.731 3.643 1.00 0.00 N1+ ATOM 251 NH2 ARG A 15 2.783 32.763 2.595 1.00 0.00 N ATOM 0 H ARG A 15 8.440 38.795 0.609 1.00 0.00 H new ATOM 0 HA ARG A 15 9.038 36.327 2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.834 37.474 2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.680 37.227 0.316 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.591 34.798 0.594 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.010 34.921 2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.905 36.109 2.785 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.508 36.199 1.081 1.00 0.00 H new ATOM 0 HE ARG A 15 4.649 33.552 1.293 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.245 35.662 3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.080 34.422 4.239 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.128 32.122 1.881 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.015 32.482 3.205 1.00 0.00 H new ATOM 265 N VAL A 16 9.510 34.626 0.308 1.00 0.00 N ATOM 266 CA VAL A 16 10.043 33.599 -0.603 1.00 0.00 C ATOM 267 C VAL A 16 9.424 32.234 -0.272 1.00 0.00 C ATOM 268 O VAL A 16 9.302 31.863 0.894 1.00 0.00 O ATOM 269 CB VAL A 16 11.584 33.542 -0.521 1.00 0.00 C ATOM 270 CG1 VAL A 16 12.186 32.427 -1.385 1.00 0.00 C ATOM 271 CG2 VAL A 16 12.241 34.864 -0.943 1.00 0.00 C ATOM 0 H VAL A 16 9.466 34.301 1.274 1.00 0.00 H new ATOM 0 HA VAL A 16 9.775 33.863 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 16 11.793 33.341 0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 16 13.272 32.436 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.800 31.462 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 16 11.915 32.589 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.325 34.772 -0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 16 11.967 35.094 -1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 16 11.899 35.666 -0.289 1.00 0.00 H new ATOM 281 N GLU A 17 9.045 31.479 -1.302 1.00 0.00 N ATOM 282 CA GLU A 17 8.506 30.115 -1.180 1.00 0.00 C ATOM 283 C GLU A 17 9.166 29.153 -2.179 1.00 0.00 C ATOM 284 O GLU A 17 9.476 29.530 -3.316 1.00 0.00 O ATOM 285 CB GLU A 17 6.969 30.110 -1.323 1.00 0.00 C ATOM 286 CG GLU A 17 6.284 30.885 -0.188 1.00 0.00 C ATOM 287 CD GLU A 17 4.747 30.802 -0.193 1.00 0.00 C ATOM 288 OE1 GLU A 17 4.160 29.855 -0.773 1.00 0.00 O ATOM 289 OE2 GLU A 17 4.104 31.685 0.422 1.00 0.00 O1- ATOM 0 H GLU A 17 9.103 31.801 -2.268 1.00 0.00 H new ATOM 0 HA GLU A 17 8.748 29.755 -0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.692 30.550 -2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.609 29.081 -1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.652 30.508 0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.579 31.933 -0.251 1.00 0.00 H new ATOM 296 N ILE A 18 9.374 27.902 -1.754 1.00 0.00 N ATOM 297 CA ILE A 18 10.022 26.837 -2.531 1.00 0.00 C ATOM 298 C ILE A 18 9.055 25.658 -2.637 1.00 0.00 C ATOM 299 O ILE A 18 8.666 25.088 -1.614 1.00 0.00 O ATOM 300 CB ILE A 18 11.363 26.407 -1.885 1.00 0.00 C ATOM 301 CG1 ILE A 18 12.362 27.584 -1.772 1.00 0.00 C ATOM 302 CG2 ILE A 18 12.006 25.245 -2.674 1.00 0.00 C ATOM 303 CD1 ILE A 18 13.526 27.274 -0.818 1.00 0.00 C ATOM 0 H ILE A 18 9.086 27.591 -0.826 1.00 0.00 H new ATOM 0 HA ILE A 18 10.259 27.206 -3.529 1.00 0.00 H new ATOM 0 HB ILE A 18 11.131 26.069 -0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.758 27.817 -2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 18 11.835 28.472 -1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.946 24.961 -2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.329 24.390 -2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.197 25.563 -3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.198 28.131 -0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.135 27.068 0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.072 26.403 -1.181 1.00 0.00 H new ATOM 315 N GLY A 19 8.663 25.293 -3.857 1.00 0.00 N ATOM 316 CA GLY A 19 7.751 24.178 -4.140 1.00 0.00 C ATOM 317 C GLY A 19 8.443 22.821 -4.306 1.00 0.00 C ATOM 318 O GLY A 19 9.664 22.732 -4.454 1.00 0.00 O ATOM 0 H GLY A 19 8.977 25.775 -4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.024 24.105 -3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.194 24.402 -5.050 1.00 0.00 H new ATOM 322 N ASP A 20 7.643 21.752 -4.306 1.00 0.00 N ATOM 323 CA ASP A 20 8.058 20.358 -4.537 1.00 0.00 C ATOM 324 C ASP A 20 9.191 19.867 -3.614 1.00 0.00 C ATOM 325 O ASP A 20 10.059 19.097 -4.025 1.00 0.00 O ATOM 326 CB ASP A 20 8.335 20.090 -6.031 1.00 0.00 C ATOM 327 CG ASP A 20 7.315 20.716 -7.007 1.00 0.00 C ATOM 328 OD1 ASP A 20 6.094 20.712 -6.721 1.00 0.00 O ATOM 329 OD2 ASP A 20 7.732 21.194 -8.087 1.00 0.00 O1- ATOM 0 H ASP A 20 6.640 21.834 -4.137 1.00 0.00 H new ATOM 0 HA ASP A 20 7.204 19.745 -4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.328 20.469 -6.275 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.356 19.012 -6.193 1.00 0.00 H new ATOM 334 N VAL A 21 9.211 20.339 -2.365 1.00 0.00 N ATOM 335 CA VAL A 21 10.215 19.982 -1.354 1.00 0.00 C ATOM 336 C VAL A 21 10.047 18.521 -0.936 1.00 0.00 C ATOM 337 O VAL A 21 8.954 18.106 -0.542 1.00 0.00 O ATOM 338 CB VAL A 21 10.144 20.926 -0.139 1.00 0.00 C ATOM 339 CG1 VAL A 21 11.145 20.538 0.953 1.00 0.00 C ATOM 340 CG2 VAL A 21 10.461 22.365 -0.574 1.00 0.00 C ATOM 0 H VAL A 21 8.513 20.997 -2.018 1.00 0.00 H new ATOM 0 HA VAL A 21 11.205 20.100 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 21 9.133 20.848 0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.058 21.232 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.933 19.526 1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.157 20.580 0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.409 23.026 0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.463 22.404 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.736 22.687 -1.322 1.00 0.00 H new ATOM 350 N LEU A 22 11.136 17.750 -1.031 1.00 0.00 N ATOM 351 CA LEU A 22 11.171 16.316 -0.728 1.00 0.00 C ATOM 352 C LEU A 22 11.904 16.003 0.590 1.00 0.00 C ATOM 353 O LEU A 22 11.564 15.028 1.267 1.00 0.00 O ATOM 354 CB LEU A 22 11.763 15.580 -1.945 1.00 0.00 C ATOM 355 CG LEU A 22 11.413 14.087 -1.983 1.00 0.00 C ATOM 356 CD1 LEU A 22 9.943 13.859 -2.337 1.00 0.00 C ATOM 357 CD2 LEU A 22 12.279 13.339 -3.002 1.00 0.00 C ATOM 0 H LEU A 22 12.040 18.116 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 22 10.157 15.956 -0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.402 16.054 -2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.847 15.691 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 22 11.606 13.701 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.735 12.789 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.310 14.340 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.735 14.285 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.007 12.283 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.117 13.759 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.330 13.442 -2.732 1.00 0.00 H new ATOM 369 N GLU A 23 12.854 16.851 1.002 1.00 0.00 N ATOM 370 CA GLU A 23 13.447 16.842 2.348 1.00 0.00 C ATOM 371 C GLU A 23 14.021 18.217 2.759 1.00 0.00 C ATOM 372 O GLU A 23 14.372 19.041 1.906 1.00 0.00 O ATOM 373 CB GLU A 23 14.513 15.732 2.476 1.00 0.00 C ATOM 374 CG GLU A 23 15.720 15.895 1.542 1.00 0.00 C ATOM 375 CD GLU A 23 16.738 14.758 1.744 1.00 0.00 C ATOM 376 OE1 GLU A 23 17.018 14.011 0.775 1.00 0.00 O ATOM 377 OE2 GLU A 23 17.288 14.611 2.864 1.00 0.00 O1- ATOM 0 H GLU A 23 13.241 17.577 0.399 1.00 0.00 H new ATOM 0 HA GLU A 23 12.637 16.624 3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.868 15.705 3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.042 14.770 2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.382 15.905 0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.201 16.855 1.729 1.00 0.00 H new ATOM 384 N VAL A 24 14.163 18.436 4.072 1.00 0.00 N ATOM 385 CA VAL A 24 14.742 19.634 4.702 1.00 0.00 C ATOM 386 C VAL A 24 15.668 19.233 5.863 1.00 0.00 C ATOM 387 O VAL A 24 15.359 18.302 6.608 1.00 0.00 O ATOM 388 CB VAL A 24 13.642 20.611 5.194 1.00 0.00 C ATOM 389 CG1 VAL A 24 14.213 21.908 5.781 1.00 0.00 C ATOM 390 CG2 VAL A 24 12.686 21.021 4.068 1.00 0.00 C ATOM 0 H VAL A 24 13.862 17.747 4.762 1.00 0.00 H new ATOM 0 HA VAL A 24 15.329 20.156 3.946 1.00 0.00 H new ATOM 0 HB VAL A 24 13.113 20.053 5.967 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.395 22.550 6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.851 21.672 6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.799 22.425 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.934 21.705 4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.248 21.515 3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.196 20.134 3.666 1.00 0.00 H new ATOM 400 N ARG A 25 16.787 19.949 6.039 1.00 0.00 N ATOM 401 CA ARG A 25 17.754 19.816 7.144 1.00 0.00 C ATOM 402 C ARG A 25 17.969 21.139 7.886 1.00 0.00 C ATOM 403 O ARG A 25 17.905 22.207 7.286 1.00 0.00 O ATOM 404 CB ARG A 25 19.113 19.323 6.613 1.00 0.00 C ATOM 405 CG ARG A 25 19.152 17.821 6.298 1.00 0.00 C ATOM 406 CD ARG A 25 20.524 17.416 5.734 1.00 0.00 C ATOM 407 NE ARG A 25 21.624 17.717 6.676 1.00 0.00 N ATOM 408 CZ ARG A 25 22.226 16.907 7.528 1.00 0.00 C ATOM 409 NH1 ARG A 25 21.969 15.628 7.574 1.00 0.00 N1+ ATOM 410 NH2 ARG A 25 23.106 17.380 8.358 1.00 0.00 N ATOM 0 H ARG A 25 17.059 20.678 5.379 1.00 0.00 H new ATOM 0 HA ARG A 25 17.334 19.091 7.842 1.00 0.00 H new ATOM 0 HB2 ARG A 25 19.362 19.880 5.710 1.00 0.00 H new ATOM 0 HB3 ARG A 25 19.883 19.549 7.350 1.00 0.00 H new ATOM 0 HG2 ARG A 25 18.943 17.250 7.202 1.00 0.00 H new ATOM 0 HG3 ARG A 25 18.371 17.576 5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 25 20.522 16.350 5.508 1.00 0.00 H new ATOM 0 HD3 ARG A 25 20.698 17.940 4.794 1.00 0.00 H new ATOM 0 HE ARG A 25 21.963 18.679 6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 25 21.283 15.223 6.938 1.00 0.00 H new ATOM 0 HH12 ARG A 25 22.455 15.034 8.246 1.00 0.00 H new ATOM 0 HH21 ARG A 25 23.331 18.375 8.351 1.00 0.00 H new ATOM 0 HH22 ARG A 25 23.572 16.757 9.017 1.00 0.00 H new ATOM 424 N ALA A 26 18.329 21.040 9.163 1.00 0.00 N ATOM 425 CA ALA A 26 18.929 22.113 9.953 1.00 0.00 C ATOM 426 C ALA A 26 20.351 21.730 10.397 1.00 0.00 C ATOM 427 O ALA A 26 20.612 20.590 10.795 1.00 0.00 O ATOM 428 CB ALA A 26 18.014 22.441 11.136 1.00 0.00 C ATOM 0 H ALA A 26 18.207 20.179 9.696 1.00 0.00 H new ATOM 0 HA ALA A 26 19.027 23.012 9.344 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.458 23.241 11.728 1.00 0.00 H new ATOM 0 HB2 ALA A 26 17.040 22.761 10.765 1.00 0.00 H new ATOM 0 HB3 ALA A 26 17.892 21.554 11.758 1.00 0.00 H new ATOM 434 N GLU A 27 21.270 22.692 10.350 1.00 0.00 N ATOM 435 CA GLU A 27 22.709 22.521 10.627 1.00 0.00 C ATOM 436 C GLU A 27 23.155 23.276 11.901 1.00 0.00 C ATOM 437 O GLU A 27 24.346 23.491 12.140 1.00 0.00 O ATOM 438 CB GLU A 27 23.538 22.934 9.391 1.00 0.00 C ATOM 439 CG GLU A 27 23.073 22.345 8.044 1.00 0.00 C ATOM 440 CD GLU A 27 23.185 20.814 7.902 1.00 0.00 C ATOM 441 OE1 GLU A 27 22.760 20.280 6.849 1.00 0.00 O ATOM 442 OE2 GLU A 27 23.703 20.109 8.800 1.00 0.00 O1- ATOM 0 H GLU A 27 21.031 23.654 10.109 1.00 0.00 H new ATOM 0 HA GLU A 27 22.891 21.465 10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 27 23.524 24.021 9.315 1.00 0.00 H new ATOM 0 HB3 GLU A 27 24.574 22.639 9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 27 22.033 22.630 7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 27 23.655 22.808 7.247 1.00 0.00 H new ATOM 449 N GLY A 28 22.187 23.736 12.706 1.00 0.00 N ATOM 450 CA GLY A 28 22.374 24.478 13.968 1.00 0.00 C ATOM 451 C GLY A 28 22.595 25.992 13.807 1.00 0.00 C ATOM 452 O GLY A 28 22.098 26.773 14.621 1.00 0.00 O ATOM 0 H GLY A 28 21.201 23.595 12.486 1.00 0.00 H new ATOM 0 HA2 GLY A 28 21.499 24.319 14.598 1.00 0.00 H new ATOM 0 HA3 GLY A 28 23.229 24.056 14.497 1.00 0.00 H new ATOM 456 N GLY A 29 23.274 26.414 12.734 1.00 0.00 N ATOM 457 CA GLY A 29 23.439 27.820 12.325 1.00 0.00 C ATOM 458 C GLY A 29 22.779 28.180 10.981 1.00 0.00 C ATOM 459 O GLY A 29 22.858 29.327 10.544 1.00 0.00 O ATOM 0 H GLY A 29 23.742 25.765 12.102 1.00 0.00 H new ATOM 0 HA2 GLY A 29 23.023 28.462 13.102 1.00 0.00 H new ATOM 0 HA3 GLY A 29 24.504 28.044 12.263 1.00 0.00 H new ATOM 463 N ALA A 30 22.150 27.212 10.312 1.00 0.00 N ATOM 464 CA ALA A 30 21.560 27.338 8.974 1.00 0.00 C ATOM 465 C ALA A 30 20.475 26.275 8.729 1.00 0.00 C ATOM 466 O ALA A 30 20.387 25.285 9.463 1.00 0.00 O ATOM 467 CB ALA A 30 22.687 27.178 7.933 1.00 0.00 C ATOM 0 H ALA A 30 22.032 26.277 10.703 1.00 0.00 H new ATOM 0 HA ALA A 30 21.085 28.316 8.888 1.00 0.00 H new ATOM 0 HB1 ALA A 30 22.271 27.268 6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.437 27.954 8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.151 26.198 8.047 1.00 0.00 H new ATOM 473 N VAL A 31 19.705 26.419 7.647 1.00 0.00 N ATOM 474 CA VAL A 31 18.892 25.331 7.058 1.00 0.00 C ATOM 475 C VAL A 31 19.228 25.079 5.588 1.00 0.00 C ATOM 476 O VAL A 31 19.763 25.946 4.891 1.00 0.00 O ATOM 477 CB VAL A 31 17.378 25.548 7.221 1.00 0.00 C ATOM 478 CG1 VAL A 31 16.970 25.681 8.684 1.00 0.00 C ATOM 479 CG2 VAL A 31 16.858 26.761 6.452 1.00 0.00 C ATOM 0 H VAL A 31 19.622 27.302 7.143 1.00 0.00 H new ATOM 0 HA VAL A 31 19.161 24.443 7.630 1.00 0.00 H new ATOM 0 HB VAL A 31 16.923 24.653 6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.893 25.833 8.749 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.242 24.772 9.221 1.00 0.00 H new ATOM 0 HG13 VAL A 31 17.484 26.533 9.129 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.784 26.858 6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.360 27.660 6.809 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.059 26.631 5.389 1.00 0.00 H new ATOM 489 N ARG A 32 18.873 23.875 5.114 1.00 0.00 N ATOM 490 CA ARG A 32 19.033 23.396 3.736 1.00 0.00 C ATOM 491 C ARG A 32 17.754 22.694 3.267 1.00 0.00 C ATOM 492 O ARG A 32 17.187 21.874 3.982 1.00 0.00 O ATOM 493 CB ARG A 32 20.245 22.457 3.642 1.00 0.00 C ATOM 494 CG ARG A 32 21.586 23.213 3.699 1.00 0.00 C ATOM 495 CD ARG A 32 22.765 22.269 3.961 1.00 0.00 C ATOM 496 NE ARG A 32 22.872 21.213 2.927 1.00 0.00 N ATOM 497 CZ ARG A 32 23.182 19.942 3.098 1.00 0.00 C ATOM 498 NH1 ARG A 32 23.401 19.404 4.263 1.00 0.00 N1+ ATOM 499 NH2 ARG A 32 23.268 19.185 2.047 1.00 0.00 N ATOM 0 H ARG A 32 18.443 23.173 5.716 1.00 0.00 H new ATOM 0 HA ARG A 32 19.210 24.248 3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 32 20.204 21.735 4.457 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.190 21.891 2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 32 21.745 23.740 2.758 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.544 23.968 4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.690 22.844 3.989 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.648 21.806 4.941 1.00 0.00 H new ATOM 0 HE ARG A 32 22.683 21.504 1.968 1.00 0.00 H new ATOM 0 HH11 ARG A 32 23.336 19.972 5.107 1.00 0.00 H new ATOM 0 HH12 ARG A 32 23.637 18.414 4.331 1.00 0.00 H new ATOM 0 HH21 ARG A 32 23.098 19.577 1.121 1.00 0.00 H new ATOM 0 HH22 ARG A 32 23.506 18.198 2.147 1.00 0.00 H new ATOM 513 N VAL A 33 17.308 23.016 2.054 1.00 0.00 N ATOM 514 CA VAL A 33 16.047 22.564 1.430 1.00 0.00 C ATOM 515 C VAL A 33 16.346 21.860 0.104 1.00 0.00 C ATOM 516 O VAL A 33 17.066 22.416 -0.727 1.00 0.00 O ATOM 517 CB VAL A 33 15.115 23.773 1.201 1.00 0.00 C ATOM 518 CG1 VAL A 33 13.786 23.375 0.538 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.796 24.516 2.502 1.00 0.00 C ATOM 0 H VAL A 33 17.839 23.633 1.439 1.00 0.00 H new ATOM 0 HA VAL A 33 15.548 21.858 2.094 1.00 0.00 H new ATOM 0 HB VAL A 33 15.669 24.431 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.168 24.262 0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.985 22.917 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.261 22.663 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.137 25.358 2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.303 23.837 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.721 24.883 2.948 1.00 0.00 H new ATOM 529 N THR A 34 15.791 20.662 -0.106 1.00 0.00 N ATOM 530 CA THR A 34 16.024 19.846 -1.316 1.00 0.00 C ATOM 531 C THR A 34 14.703 19.451 -1.985 1.00 0.00 C ATOM 532 O THR A 34 13.798 18.922 -1.337 1.00 0.00 O ATOM 533 CB THR A 34 16.878 18.604 -1.004 1.00 0.00 C ATOM 534 OG1 THR A 34 18.133 18.995 -0.474 1.00 0.00 O ATOM 535 CG2 THR A 34 17.167 17.757 -2.248 1.00 0.00 C ATOM 0 H THR A 34 15.160 20.221 0.563 1.00 0.00 H new ATOM 0 HA THR A 34 16.583 20.463 -2.020 1.00 0.00 H new ATOM 0 HB THR A 34 16.301 18.015 -0.292 1.00 0.00 H new ATOM 0 HG1 THR A 34 18.668 18.198 -0.277 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.773 16.895 -1.969 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.227 17.415 -2.682 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.707 18.358 -2.980 1.00 0.00 H new ATOM 543 N THR A 35 14.580 19.702 -3.289 1.00 0.00 N ATOM 544 CA THR A 35 13.371 19.396 -4.070 1.00 0.00 C ATOM 545 C THR A 35 13.363 17.971 -4.630 1.00 0.00 C ATOM 546 O THR A 35 14.392 17.292 -4.716 1.00 0.00 O ATOM 547 CB THR A 35 13.139 20.410 -5.208 1.00 0.00 C ATOM 548 OG1 THR A 35 14.044 20.190 -6.267 1.00 0.00 O ATOM 549 CG2 THR A 35 13.256 21.871 -4.761 1.00 0.00 C ATOM 0 H THR A 35 15.323 20.128 -3.843 1.00 0.00 H new ATOM 0 HA THR A 35 12.547 19.476 -3.361 1.00 0.00 H new ATOM 0 HB THR A 35 12.113 20.245 -5.537 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.879 20.843 -6.979 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.081 22.527 -5.613 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.516 22.075 -3.988 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.255 22.051 -4.364 1.00 0.00 H new ATOM 557 N LEU A 36 12.184 17.542 -5.083 1.00 0.00 N ATOM 558 CA LEU A 36 11.929 16.311 -5.842 1.00 0.00 C ATOM 559 C LEU A 36 12.726 16.225 -7.162 1.00 0.00 C ATOM 560 O LEU A 36 12.951 15.136 -7.689 1.00 0.00 O ATOM 561 CB LEU A 36 10.406 16.277 -6.081 1.00 0.00 C ATOM 562 CG LEU A 36 9.843 15.134 -6.948 1.00 0.00 C ATOM 563 CD1 LEU A 36 10.185 13.744 -6.408 1.00 0.00 C ATOM 564 CD2 LEU A 36 8.319 15.245 -6.977 1.00 0.00 C ATOM 0 H LEU A 36 11.329 18.074 -4.922 1.00 0.00 H new ATOM 0 HA LEU A 36 12.269 15.442 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.915 16.234 -5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.118 17.221 -6.542 1.00 0.00 H new ATOM 0 HG LEU A 36 10.293 15.238 -7.935 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.760 12.984 -7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.268 13.625 -6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.772 13.631 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.907 14.441 -7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.929 15.166 -5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.032 16.207 -7.402 1.00 0.00 H new ATOM 576 N PHE A 37 13.187 17.364 -7.679 1.00 0.00 N ATOM 577 CA PHE A 37 13.955 17.501 -8.926 1.00 0.00 C ATOM 578 C PHE A 37 15.446 17.824 -8.690 1.00 0.00 C ATOM 579 O PHE A 37 16.137 18.329 -9.573 1.00 0.00 O ATOM 580 CB PHE A 37 13.205 18.461 -9.863 1.00 0.00 C ATOM 581 CG PHE A 37 11.757 18.038 -10.078 1.00 0.00 C ATOM 582 CD1 PHE A 37 11.472 16.950 -10.925 1.00 0.00 C ATOM 583 CD2 PHE A 37 10.717 18.661 -9.361 1.00 0.00 C ATOM 584 CE1 PHE A 37 10.155 16.473 -11.041 1.00 0.00 C ATOM 585 CE2 PHE A 37 9.396 18.187 -9.488 1.00 0.00 C ATOM 586 CZ PHE A 37 9.115 17.090 -10.321 1.00 0.00 C ATOM 0 H PHE A 37 13.030 18.262 -7.221 1.00 0.00 H new ATOM 0 HA PHE A 37 14.013 16.538 -9.434 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.230 19.468 -9.445 1.00 0.00 H new ATOM 0 HB3 PHE A 37 13.717 18.502 -10.825 1.00 0.00 H new ATOM 0 HD1 PHE A 37 12.267 16.481 -11.486 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.931 19.500 -8.715 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.941 15.632 -11.684 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.597 18.668 -8.944 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.104 16.722 -10.408 1.00 0.00 H new ATOM 596 N ASP A 38 15.950 17.496 -7.492 1.00 0.00 N ATOM 597 CA ASP A 38 17.359 17.592 -7.065 1.00 0.00 C ATOM 598 C ASP A 38 17.954 19.019 -7.045 1.00 0.00 C ATOM 599 O ASP A 38 19.177 19.188 -7.040 1.00 0.00 O ATOM 600 CB ASP A 38 18.241 16.563 -7.802 1.00 0.00 C ATOM 601 CG ASP A 38 17.742 15.111 -7.727 1.00 0.00 C ATOM 602 OD1 ASP A 38 18.013 14.341 -8.683 1.00 0.00 O ATOM 603 OD2 ASP A 38 17.134 14.705 -6.704 1.00 0.00 O1- ATOM 0 H ASP A 38 15.352 17.135 -6.749 1.00 0.00 H new ATOM 0 HA ASP A 38 17.357 17.325 -6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.314 16.853 -8.850 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.248 16.607 -7.388 1.00 0.00 H new ATOM 608 N GLU A 39 17.117 20.056 -7.007 1.00 0.00 N ATOM 609 CA GLU A 39 17.568 21.417 -6.688 1.00 0.00 C ATOM 610 C GLU A 39 17.801 21.558 -5.174 1.00 0.00 C ATOM 611 O GLU A 39 17.029 21.038 -4.367 1.00 0.00 O ATOM 612 CB GLU A 39 16.556 22.467 -7.177 1.00 0.00 C ATOM 613 CG GLU A 39 16.289 22.437 -8.692 1.00 0.00 C ATOM 614 CD GLU A 39 17.556 22.650 -9.553 1.00 0.00 C ATOM 615 OE1 GLU A 39 18.475 23.404 -9.145 1.00 0.00 O ATOM 616 OE2 GLU A 39 17.624 22.099 -10.682 1.00 0.00 O1- ATOM 0 H GLU A 39 16.117 19.982 -7.194 1.00 0.00 H new ATOM 0 HA GLU A 39 18.510 21.593 -7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.613 22.317 -6.651 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.919 23.458 -6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.840 21.479 -8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.560 23.209 -8.938 1.00 0.00 H new ATOM 623 N GLU A 40 18.853 22.279 -4.783 1.00 0.00 N ATOM 624 CA GLU A 40 19.216 22.530 -3.381 1.00 0.00 C ATOM 625 C GLU A 40 19.323 24.032 -3.094 1.00 0.00 C ATOM 626 O GLU A 40 19.927 24.788 -3.862 1.00 0.00 O ATOM 627 CB GLU A 40 20.508 21.772 -3.020 1.00 0.00 C ATOM 628 CG GLU A 40 20.927 21.945 -1.547 1.00 0.00 C ATOM 629 CD GLU A 40 22.144 21.084 -1.139 1.00 0.00 C ATOM 630 OE1 GLU A 40 22.407 20.974 0.085 1.00 0.00 O ATOM 631 OE2 GLU A 40 22.856 20.517 -2.006 1.00 0.00 O1- ATOM 0 H GLU A 40 19.493 22.716 -5.445 1.00 0.00 H new ATOM 0 HA GLU A 40 18.421 22.149 -2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 40 20.369 20.711 -3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 40 21.316 22.120 -3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 40 21.159 22.994 -1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 40 20.083 21.690 -0.907 1.00 0.00 H new ATOM 638 N HIS A 41 18.757 24.447 -1.961 1.00 0.00 N ATOM 639 CA HIS A 41 18.725 25.830 -1.474 1.00 0.00 C ATOM 640 C HIS A 41 19.214 25.881 -0.023 1.00 0.00 C ATOM 641 O HIS A 41 18.908 24.973 0.753 1.00 0.00 O ATOM 642 CB HIS A 41 17.297 26.391 -1.599 1.00 0.00 C ATOM 643 CG HIS A 41 16.644 26.149 -2.941 1.00 0.00 C ATOM 644 ND1 HIS A 41 16.809 26.929 -4.088 1.00 0.00 N ATOM 645 CD2 HIS A 41 15.818 25.101 -3.236 1.00 0.00 C ATOM 646 CE1 HIS A 41 16.087 26.327 -5.050 1.00 0.00 C ATOM 647 NE2 HIS A 41 15.486 25.227 -4.566 1.00 0.00 N ATOM 0 H HIS A 41 18.286 23.801 -1.327 1.00 0.00 H new ATOM 0 HA HIS A 41 19.389 26.447 -2.079 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.676 25.946 -0.821 1.00 0.00 H new ATOM 0 HB3 HIS A 41 17.324 27.464 -1.410 1.00 0.00 H new ATOM 0 HD2 HIS A 41 15.490 24.326 -2.559 1.00 0.00 H new ATOM 0 HE1 HIS A 41 16.002 26.678 -6.068 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.886 24.593 -5.094 1.00 0.00 H new ATOM 655 N ALA A 42 19.950 26.923 0.361 1.00 0.00 N ATOM 656 CA ALA A 42 20.535 27.060 1.700 1.00 0.00 C ATOM 657 C ALA A 42 20.357 28.474 2.279 1.00 0.00 C ATOM 658 O ALA A 42 20.494 29.467 1.559 1.00 0.00 O ATOM 659 CB ALA A 42 22.011 26.641 1.648 1.00 0.00 C ATOM 0 H ALA A 42 20.161 27.708 -0.255 1.00 0.00 H new ATOM 0 HA ALA A 42 20.000 26.399 2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 42 22.453 26.740 2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 42 22.083 25.604 1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 42 22.546 27.281 0.947 1.00 0.00 H new ATOM 665 N PHE A 43 20.082 28.552 3.587 1.00 0.00 N ATOM 666 CA PHE A 43 19.737 29.793 4.289 1.00 0.00 C ATOM 667 C PHE A 43 20.385 29.843 5.685 1.00 0.00 C ATOM 668 O PHE A 43 19.822 29.326 6.658 1.00 0.00 O ATOM 669 CB PHE A 43 18.203 29.931 4.363 1.00 0.00 C ATOM 670 CG PHE A 43 17.500 29.892 3.023 1.00 0.00 C ATOM 671 CD1 PHE A 43 16.913 28.689 2.574 1.00 0.00 C ATOM 672 CD2 PHE A 43 17.467 31.039 2.206 1.00 0.00 C ATOM 673 CE1 PHE A 43 16.326 28.629 1.298 1.00 0.00 C ATOM 674 CE2 PHE A 43 16.872 30.977 0.932 1.00 0.00 C ATOM 675 CZ PHE A 43 16.303 29.773 0.479 1.00 0.00 C ATOM 0 H PHE A 43 20.094 27.736 4.199 1.00 0.00 H new ATOM 0 HA PHE A 43 20.134 30.641 3.731 1.00 0.00 H new ATOM 0 HB2 PHE A 43 17.809 29.130 4.988 1.00 0.00 H new ATOM 0 HB3 PHE A 43 17.960 30.871 4.859 1.00 0.00 H new ATOM 0 HD1 PHE A 43 16.915 27.816 3.210 1.00 0.00 H new ATOM 0 HD2 PHE A 43 17.898 31.965 2.557 1.00 0.00 H new ATOM 0 HE1 PHE A 43 15.893 27.704 0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 43 16.852 31.854 0.302 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.848 29.727 -0.499 1.00 0.00 H new ATOM 685 N PRO A 44 21.578 30.449 5.815 1.00 0.00 N ATOM 686 CA PRO A 44 22.198 30.732 7.106 1.00 0.00 C ATOM 687 C PRO A 44 21.345 31.689 7.954 1.00 0.00 C ATOM 688 O PRO A 44 20.722 32.620 7.442 1.00 0.00 O ATOM 689 CB PRO A 44 23.583 31.318 6.797 1.00 0.00 C ATOM 690 CG PRO A 44 23.876 30.810 5.383 1.00 0.00 C ATOM 691 CD PRO A 44 22.490 30.814 4.740 1.00 0.00 C ATOM 0 HA PRO A 44 22.285 29.825 7.704 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.577 32.407 6.839 1.00 0.00 H new ATOM 0 HB3 PRO A 44 24.333 30.975 7.510 1.00 0.00 H new ATOM 0 HG2 PRO A 44 24.572 31.461 4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.317 29.813 5.393 1.00 0.00 H new ATOM 0 HD2 PRO A 44 22.247 31.795 4.331 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.435 30.103 3.916 1.00 0.00 H new ATOM 699 N GLY A 45 21.325 31.458 9.268 1.00 0.00 N ATOM 700 CA GLY A 45 20.613 32.297 10.234 1.00 0.00 C ATOM 701 C GLY A 45 19.108 32.027 10.355 1.00 0.00 C ATOM 702 O GLY A 45 18.432 32.686 11.148 1.00 0.00 O ATOM 0 H GLY A 45 21.811 30.671 9.698 1.00 0.00 H new ATOM 0 HA2 GLY A 45 21.070 32.161 11.214 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.757 33.342 9.958 1.00 0.00 H new ATOM 706 N LEU A 46 18.575 31.047 9.612 1.00 0.00 N ATOM 707 CA LEU A 46 17.231 30.497 9.813 1.00 0.00 C ATOM 708 C LEU A 46 17.274 29.151 10.558 1.00 0.00 C ATOM 709 O LEU A 46 18.311 28.482 10.628 1.00 0.00 O ATOM 710 CB LEU A 46 16.494 30.379 8.461 1.00 0.00 C ATOM 711 CG LEU A 46 16.307 31.692 7.676 1.00 0.00 C ATOM 712 CD1 LEU A 46 15.423 31.431 6.453 1.00 0.00 C ATOM 713 CD2 LEU A 46 15.633 32.800 8.486 1.00 0.00 C ATOM 0 H LEU A 46 19.077 30.607 8.840 1.00 0.00 H new ATOM 0 HA LEU A 46 16.671 31.186 10.446 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.041 29.677 7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.511 29.944 8.642 1.00 0.00 H new ATOM 0 HG LEU A 46 17.309 32.025 7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.289 32.358 5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.898 30.688 5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.451 31.060 6.779 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.535 33.693 7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.645 32.468 8.804 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.238 33.029 9.363 1.00 0.00 H new ATOM 725 N ALA A 47 16.117 28.733 11.077 1.00 0.00 N ATOM 726 CA ALA A 47 15.832 27.406 11.627 1.00 0.00 C ATOM 727 C ALA A 47 14.446 26.910 11.188 1.00 0.00 C ATOM 728 O ALA A 47 13.569 27.708 10.849 1.00 0.00 O ATOM 729 CB ALA A 47 15.952 27.464 13.153 1.00 0.00 C ATOM 0 H ALA A 47 15.306 29.349 11.127 1.00 0.00 H new ATOM 0 HA ALA A 47 16.557 26.690 11.241 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.741 26.480 13.572 1.00 0.00 H new ATOM 0 HB2 ALA A 47 16.963 27.767 13.427 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.237 28.187 13.547 1.00 0.00 H new ATOM 735 N ILE A 48 14.235 25.588 11.213 1.00 0.00 N ATOM 736 CA ILE A 48 12.920 24.973 10.980 1.00 0.00 C ATOM 737 C ILE A 48 12.024 25.304 12.185 1.00 0.00 C ATOM 738 O ILE A 48 12.240 24.778 13.277 1.00 0.00 O ATOM 739 CB ILE A 48 13.035 23.442 10.757 1.00 0.00 C ATOM 740 CG1 ILE A 48 14.021 23.072 9.625 1.00 0.00 C ATOM 741 CG2 ILE A 48 11.647 22.856 10.457 1.00 0.00 C ATOM 742 CD1 ILE A 48 14.366 21.573 9.598 1.00 0.00 C ATOM 0 H ILE A 48 14.975 24.910 11.396 1.00 0.00 H new ATOM 0 HA ILE A 48 12.479 25.376 10.068 1.00 0.00 H new ATOM 0 HB ILE A 48 13.434 23.013 11.676 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.589 23.358 8.666 1.00 0.00 H new ATOM 0 HG13 ILE A 48 14.938 23.649 9.746 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.732 21.781 10.301 1.00 0.00 H new ATOM 0 HG22 ILE A 48 10.981 23.049 11.298 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.242 23.322 9.559 1.00 0.00 H new ATOM 0 HD11 ILE A 48 15.062 21.374 8.783 1.00 0.00 H new ATOM 0 HD12 ILE A 48 14.826 21.288 10.544 1.00 0.00 H new ATOM 0 HD13 ILE A 48 13.456 20.993 9.448 1.00 0.00 H new ATOM 754 N GLY A 49 11.047 26.201 12.005 1.00 0.00 N ATOM 755 CA GLY A 49 10.200 26.723 13.085 1.00 0.00 C ATOM 756 C GLY A 49 8.927 25.911 13.316 1.00 0.00 C ATOM 757 O GLY A 49 8.567 25.641 14.466 1.00 0.00 O ATOM 0 H GLY A 49 10.819 26.591 11.090 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.778 26.746 14.009 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.926 27.753 12.854 1.00 0.00 H new ATOM 761 N ARG A 50 8.248 25.506 12.233 1.00 0.00 N ATOM 762 CA ARG A 50 7.048 24.647 12.245 1.00 0.00 C ATOM 763 C ARG A 50 6.995 23.740 11.009 1.00 0.00 C ATOM 764 O ARG A 50 7.447 24.117 9.928 1.00 0.00 O ATOM 765 CB ARG A 50 5.744 25.472 12.325 1.00 0.00 C ATOM 766 CG ARG A 50 5.446 26.121 13.690 1.00 0.00 C ATOM 767 CD ARG A 50 5.933 27.573 13.842 1.00 0.00 C ATOM 768 NE ARG A 50 5.522 28.120 15.151 1.00 0.00 N ATOM 769 CZ ARG A 50 6.063 27.864 16.334 1.00 0.00 C ATOM 770 NH1 ARG A 50 7.125 27.136 16.504 1.00 0.00 N1+ ATOM 771 NH2 ARG A 50 5.526 28.319 17.426 1.00 0.00 N ATOM 0 H ARG A 50 8.527 25.775 11.290 1.00 0.00 H new ATOM 0 HA ARG A 50 7.125 24.030 13.141 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.787 26.258 11.571 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.909 24.823 12.062 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.370 26.095 13.860 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.906 25.516 14.471 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.018 27.611 13.750 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.523 28.187 13.040 1.00 0.00 H new ATOM 0 HE ARG A 50 4.734 28.767 15.144 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.594 26.722 15.698 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.490 26.978 17.443 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.676 28.882 17.381 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.954 28.114 18.329 1.00 0.00 H new ATOM 785 N VAL A 51 6.395 22.559 11.166 1.00 0.00 N ATOM 786 CA VAL A 51 6.161 21.545 10.124 1.00 0.00 C ATOM 787 C VAL A 51 4.710 21.078 10.222 1.00 0.00 C ATOM 788 O VAL A 51 4.265 20.695 11.305 1.00 0.00 O ATOM 789 CB VAL A 51 7.110 20.343 10.313 1.00 0.00 C ATOM 790 CG1 VAL A 51 6.890 19.258 9.250 1.00 0.00 C ATOM 791 CG2 VAL A 51 8.588 20.746 10.277 1.00 0.00 C ATOM 0 H VAL A 51 6.037 22.263 12.074 1.00 0.00 H new ATOM 0 HA VAL A 51 6.354 21.980 9.143 1.00 0.00 H new ATOM 0 HB VAL A 51 6.867 19.949 11.300 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.580 18.433 9.424 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.865 18.892 9.310 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.068 19.677 8.260 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.210 19.861 10.415 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.817 21.204 9.315 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.790 21.460 11.076 1.00 0.00 H new ATOM 801 N ASP A 52 3.964 21.085 9.115 1.00 0.00 N ATOM 802 CA ASP A 52 2.562 20.650 9.046 1.00 0.00 C ATOM 803 C ASP A 52 2.379 19.655 7.889 1.00 0.00 C ATOM 804 O ASP A 52 2.446 20.021 6.712 1.00 0.00 O ATOM 805 CB ASP A 52 1.650 21.889 8.951 1.00 0.00 C ATOM 806 CG ASP A 52 0.139 21.583 8.840 1.00 0.00 C ATOM 807 OD1 ASP A 52 -0.666 22.535 8.975 1.00 0.00 O ATOM 808 OD2 ASP A 52 -0.264 20.424 8.589 1.00 0.00 O1- ATOM 0 H ASP A 52 4.326 21.402 8.216 1.00 0.00 H new ATOM 0 HA ASP A 52 2.275 20.116 9.952 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.815 22.511 9.831 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.951 22.477 8.084 1.00 0.00 H new ATOM 813 N LEU A 53 2.139 18.385 8.228 1.00 0.00 N ATOM 814 CA LEU A 53 2.010 17.268 7.287 1.00 0.00 C ATOM 815 C LEU A 53 0.635 17.219 6.599 1.00 0.00 C ATOM 816 O LEU A 53 0.520 16.660 5.508 1.00 0.00 O ATOM 817 CB LEU A 53 2.246 15.935 8.031 1.00 0.00 C ATOM 818 CG LEU A 53 3.638 15.661 8.634 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.782 15.949 7.655 1.00 0.00 C ATOM 820 CD2 LEU A 53 3.911 16.398 9.951 1.00 0.00 C ATOM 0 H LEU A 53 2.025 18.096 9.200 1.00 0.00 H new ATOM 0 HA LEU A 53 2.760 17.421 6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.518 15.874 8.840 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.021 15.125 7.337 1.00 0.00 H new ATOM 0 HG LEU A 53 3.611 14.593 8.850 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.736 15.737 8.138 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.674 15.318 6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.751 16.997 7.357 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.911 16.150 10.306 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.841 17.473 9.788 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.176 16.095 10.696 1.00 0.00 H new ATOM 832 N ARG A 54 -0.405 17.798 7.218 1.00 0.00 N ATOM 833 CA ARG A 54 -1.778 17.849 6.682 1.00 0.00 C ATOM 834 C ARG A 54 -1.930 18.957 5.635 1.00 0.00 C ATOM 835 O ARG A 54 -2.533 18.719 4.586 1.00 0.00 O ATOM 836 CB ARG A 54 -2.756 18.003 7.862 1.00 0.00 C ATOM 837 CG ARG A 54 -4.224 17.810 7.446 1.00 0.00 C ATOM 838 CD ARG A 54 -5.162 17.756 8.658 1.00 0.00 C ATOM 839 NE ARG A 54 -5.205 19.041 9.385 1.00 0.00 N ATOM 840 CZ ARG A 54 -5.875 19.295 10.494 1.00 0.00 C ATOM 841 NH1 ARG A 54 -6.610 18.392 11.080 1.00 0.00 N1+ ATOM 842 NH2 ARG A 54 -5.824 20.476 11.034 1.00 0.00 N ATOM 0 H ARG A 54 -0.315 18.255 8.126 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.009 16.922 6.158 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.503 17.277 8.635 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.635 18.993 8.302 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.525 18.627 6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.320 16.888 6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.167 17.494 8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.834 16.968 9.335 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.663 19.809 8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.680 17.455 10.683 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.115 18.622 11.936 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.265 21.211 10.601 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.343 20.668 11.891 1.00 0.00 H new ATOM 856 N SER A 55 -1.333 20.128 5.876 1.00 0.00 N ATOM 857 CA SER A 55 -1.238 21.222 4.891 1.00 0.00 C ATOM 858 C SER A 55 -0.118 21.026 3.853 1.00 0.00 C ATOM 859 O SER A 55 -0.212 21.562 2.746 1.00 0.00 O ATOM 860 CB SER A 55 -1.023 22.571 5.589 1.00 0.00 C ATOM 861 OG SER A 55 -2.081 22.873 6.489 1.00 0.00 O ATOM 0 H SER A 55 -0.895 20.351 6.770 1.00 0.00 H new ATOM 0 HA SER A 55 -2.190 21.210 4.360 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.078 22.553 6.132 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.946 23.360 4.840 1.00 0.00 H new ATOM 0 HG SER A 55 -1.757 22.800 7.411 1.00 0.00 H new ATOM 867 N GLY A 56 0.940 20.278 4.193 1.00 0.00 N ATOM 868 CA GLY A 56 2.133 20.103 3.349 1.00 0.00 C ATOM 869 C GLY A 56 3.037 21.340 3.328 1.00 0.00 C ATOM 870 O GLY A 56 3.473 21.767 2.259 1.00 0.00 O ATOM 0 H GLY A 56 0.993 19.769 5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.705 19.248 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.820 19.871 2.331 1.00 0.00 H new ATOM 874 N VAL A 57 3.283 21.957 4.491 1.00 0.00 N ATOM 875 CA VAL A 57 3.986 23.253 4.636 1.00 0.00 C ATOM 876 C VAL A 57 5.061 23.182 5.731 1.00 0.00 C ATOM 877 O VAL A 57 4.837 22.619 6.803 1.00 0.00 O ATOM 878 CB VAL A 57 2.997 24.413 4.885 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.708 25.764 5.047 1.00 0.00 C ATOM 880 CG2 VAL A 57 2.002 24.561 3.728 1.00 0.00 C ATOM 0 H VAL A 57 2.993 21.563 5.386 1.00 0.00 H new ATOM 0 HA VAL A 57 4.491 23.460 3.692 1.00 0.00 H new ATOM 0 HB VAL A 57 2.479 24.156 5.809 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.969 26.546 5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.391 25.716 5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.270 25.990 4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.321 25.386 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.545 24.763 2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.431 23.639 3.619 1.00 0.00 H new ATOM 890 N ILE A 58 6.221 23.787 5.468 1.00 0.00 N ATOM 891 CA ILE A 58 7.344 23.943 6.406 1.00 0.00 C ATOM 892 C ILE A 58 7.676 25.439 6.539 1.00 0.00 C ATOM 893 O ILE A 58 8.062 26.088 5.567 1.00 0.00 O ATOM 894 CB ILE A 58 8.554 23.097 5.945 1.00 0.00 C ATOM 895 CG1 ILE A 58 8.212 21.590 5.977 1.00 0.00 C ATOM 896 CG2 ILE A 58 9.789 23.386 6.829 1.00 0.00 C ATOM 897 CD1 ILE A 58 9.236 20.694 5.269 1.00 0.00 C ATOM 0 H ILE A 58 6.416 24.201 4.556 1.00 0.00 H new ATOM 0 HA ILE A 58 7.071 23.571 7.394 1.00 0.00 H new ATOM 0 HB ILE A 58 8.790 23.375 4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.125 21.271 7.016 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.236 21.441 5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.630 22.781 6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.049 24.442 6.757 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.560 23.139 7.866 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.919 19.653 5.339 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.308 20.982 4.220 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.210 20.809 5.744 1.00 0.00 H new ATOM 909 N SER A 59 7.521 25.991 7.743 1.00 0.00 N ATOM 910 CA SER A 59 7.742 27.412 8.047 1.00 0.00 C ATOM 911 C SER A 59 9.112 27.619 8.691 1.00 0.00 C ATOM 912 O SER A 59 9.397 27.075 9.764 1.00 0.00 O ATOM 913 CB SER A 59 6.651 27.933 8.992 1.00 0.00 C ATOM 914 OG SER A 59 5.347 27.722 8.460 1.00 0.00 O ATOM 0 H SER A 59 7.231 25.451 8.558 1.00 0.00 H new ATOM 0 HA SER A 59 7.702 27.967 7.110 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.736 27.432 9.956 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.803 28.997 9.171 1.00 0.00 H new ATOM 0 HG SER A 59 4.678 28.064 9.089 1.00 0.00 H new ATOM 920 N LEU A 60 9.971 28.415 8.047 1.00 0.00 N ATOM 921 CA LEU A 60 11.270 28.816 8.591 1.00 0.00 C ATOM 922 C LEU A 60 11.153 30.098 9.433 1.00 0.00 C ATOM 923 O LEU A 60 10.349 30.986 9.129 1.00 0.00 O ATOM 924 CB LEU A 60 12.285 28.978 7.448 1.00 0.00 C ATOM 925 CG LEU A 60 12.477 27.727 6.566 1.00 0.00 C ATOM 926 CD1 LEU A 60 13.501 28.023 5.474 1.00 0.00 C ATOM 927 CD2 LEU A 60 12.943 26.514 7.370 1.00 0.00 C ATOM 0 H LEU A 60 9.781 28.803 7.123 1.00 0.00 H new ATOM 0 HA LEU A 60 11.627 28.033 9.260 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.967 29.806 6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.249 29.255 7.875 1.00 0.00 H new ATOM 0 HG LEU A 60 11.507 27.487 6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.635 27.138 4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.147 28.850 4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.453 28.293 5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.063 25.660 6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.897 26.739 7.848 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.202 26.277 8.133 1.00 0.00 H new ATOM 939 N ILE A 61 11.979 30.199 10.480 1.00 0.00 N ATOM 940 CA ILE A 61 12.045 31.331 11.424 1.00 0.00 C ATOM 941 C ILE A 61 13.489 31.789 11.640 1.00 0.00 C ATOM 942 O ILE A 61 14.434 31.047 11.391 1.00 0.00 O ATOM 943 CB ILE A 61 11.348 31.012 12.772 1.00 0.00 C ATOM 944 CG1 ILE A 61 12.039 29.880 13.570 1.00 0.00 C ATOM 945 CG2 ILE A 61 9.860 30.684 12.544 1.00 0.00 C ATOM 946 CD1 ILE A 61 13.027 30.363 14.641 1.00 0.00 C ATOM 0 H ILE A 61 12.650 29.465 10.706 1.00 0.00 H new ATOM 0 HA ILE A 61 11.495 32.155 10.970 1.00 0.00 H new ATOM 0 HB ILE A 61 11.433 31.911 13.383 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.272 29.272 14.050 1.00 0.00 H new ATOM 0 HG13 ILE A 61 12.569 29.232 12.871 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.386 30.462 13.500 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.365 31.539 12.083 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.775 29.818 11.887 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.462 29.502 15.149 1.00 0.00 H new ATOM 0 HD12 ILE A 61 13.819 30.945 14.170 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.502 30.985 15.366 1.00 0.00 H new ATOM 958 N GLU A 62 13.651 33.027 12.102 1.00 0.00 N ATOM 959 CA GLU A 62 14.955 33.631 12.389 1.00 0.00 C ATOM 960 C GLU A 62 15.612 33.025 13.637 1.00 0.00 C ATOM 961 O GLU A 62 15.124 33.183 14.759 1.00 0.00 O ATOM 962 CB GLU A 62 14.789 35.152 12.559 1.00 0.00 C ATOM 963 CG GLU A 62 14.605 35.880 11.218 1.00 0.00 C ATOM 964 CD GLU A 62 15.200 37.302 11.258 1.00 0.00 C ATOM 965 OE1 GLU A 62 16.425 37.441 11.506 1.00 0.00 O ATOM 966 OE2 GLU A 62 14.457 38.286 11.015 1.00 0.00 O1- ATOM 0 H GLU A 62 12.867 33.652 12.292 1.00 0.00 H new ATOM 0 HA GLU A 62 15.614 33.421 11.547 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.928 35.351 13.197 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.664 35.554 13.070 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.083 35.307 10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.544 35.936 10.976 1.00 0.00 H new ATOM 973 N GLU A 63 16.754 32.361 13.452 1.00 0.00 N ATOM 974 CA GLU A 63 17.542 31.756 14.526 1.00 0.00 C ATOM 975 C GLU A 63 18.490 32.775 15.190 1.00 0.00 C ATOM 976 O GLU A 63 19.045 33.659 14.533 1.00 0.00 O ATOM 977 CB GLU A 63 18.284 30.526 13.980 1.00 0.00 C ATOM 978 CG GLU A 63 19.045 29.684 15.011 1.00 0.00 C ATOM 979 CD GLU A 63 18.163 29.189 16.175 1.00 0.00 C ATOM 980 OE1 GLU A 63 17.868 29.994 17.089 1.00 0.00 O ATOM 981 OE2 GLU A 63 17.777 27.995 16.183 1.00 0.00 O1- ATOM 0 H GLU A 63 17.166 32.226 12.529 1.00 0.00 H new ATOM 0 HA GLU A 63 16.870 31.427 15.318 1.00 0.00 H new ATOM 0 HB2 GLU A 63 17.560 29.883 13.479 1.00 0.00 H new ATOM 0 HB3 GLU A 63 18.991 30.861 13.221 1.00 0.00 H new ATOM 0 HG2 GLU A 63 19.487 28.823 14.510 1.00 0.00 H new ATOM 0 HG3 GLU A 63 19.867 30.275 15.415 1.00 0.00 H new ATOM 988 N GLN A 64 18.684 32.644 16.501 1.00 0.00 N ATOM 989 CA GLN A 64 19.389 33.602 17.358 1.00 0.00 C ATOM 990 C GLN A 64 20.872 33.242 17.588 1.00 0.00 C ATOM 991 O GLN A 64 21.564 33.892 18.376 1.00 0.00 O ATOM 992 CB GLN A 64 18.608 33.775 18.673 1.00 0.00 C ATOM 993 CG GLN A 64 17.118 34.115 18.473 1.00 0.00 C ATOM 994 CD GLN A 64 16.886 35.382 17.649 1.00 0.00 C ATOM 995 OE1 GLN A 64 17.373 36.458 17.968 1.00 0.00 O ATOM 996 NE2 GLN A 64 16.133 35.325 16.570 1.00 0.00 N ATOM 0 H GLN A 64 18.341 31.835 17.019 1.00 0.00 H new ATOM 0 HA GLN A 64 19.423 34.560 16.840 1.00 0.00 H new ATOM 0 HB2 GLN A 64 18.686 32.856 19.254 1.00 0.00 H new ATOM 0 HB3 GLN A 64 19.075 34.565 19.261 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.625 33.276 17.981 1.00 0.00 H new ATOM 0 HG3 GLN A 64 16.647 34.234 19.449 1.00 0.00 H new ATOM 0 HE21 GLN A 64 15.717 34.439 16.285 1.00 0.00 H new ATOM 0 HE22 GLN A 64 15.966 36.167 16.019 1.00 0.00 H new ATOM 1005 N ASN A 65 21.380 32.210 16.908 1.00 0.00 N ATOM 1006 CA ASN A 65 22.742 31.687 17.003 1.00 0.00 C ATOM 1007 C ASN A 65 23.799 32.486 16.195 1.00 0.00 C ATOM 1008 O ASN A 65 24.996 32.174 16.264 1.00 0.00 O ATOM 1009 CB ASN A 65 22.673 30.205 16.585 1.00 0.00 C ATOM 1010 CG ASN A 65 21.842 29.331 17.512 1.00 0.00 C ATOM 1011 OD1 ASN A 65 21.499 29.694 18.628 1.00 0.00 O ATOM 1012 ND2 ASN A 65 21.482 28.143 17.089 1.00 0.00 N ATOM 0 H ASN A 65 20.816 31.688 16.237 1.00 0.00 H new ATOM 0 HA ASN A 65 23.095 31.793 18.029 1.00 0.00 H new ATOM 0 HB2 ASN A 65 22.260 30.142 15.578 1.00 0.00 H new ATOM 0 HB3 ASN A 65 23.686 29.805 16.539 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.923 27.536 17.689 1.00 0.00 H new ATOM 0 HD22 ASN A 65 21.761 27.826 16.160 1.00 0.00 H new ATOM 1019 N ARG A 66 23.368 33.502 15.426 1.00 0.00 N ATOM 1020 CA ARG A 66 24.218 34.441 14.666 1.00 0.00 C ATOM 1021 C ARG A 66 25.127 35.290 15.572 1.00 0.00 C ATOM 1022 O ARG A 66 26.333 35.413 15.252 1.00 0.00 O ATOM 1023 CB ARG A 66 23.331 35.341 13.788 1.00 0.00 C ATOM 1024 CG ARG A 66 22.801 34.610 12.536 1.00 0.00 C ATOM 1025 CD ARG A 66 21.742 35.457 11.809 1.00 0.00 C ATOM 1026 NE ARG A 66 20.428 35.350 12.464 1.00 0.00 N ATOM 1027 CZ ARG A 66 19.337 36.028 12.185 1.00 0.00 C ATOM 1028 NH1 ARG A 66 19.248 36.921 11.246 1.00 0.00 N1+ ATOM 1029 NH2 ARG A 66 18.265 35.828 12.877 1.00 0.00 N ATOM 1030 OXT ARG A 66 24.643 35.845 16.589 1.00 0.00 O1- ATOM 0 H ARG A 66 22.374 33.701 15.311 1.00 0.00 H new ATOM 0 HA ARG A 66 24.882 33.849 14.036 1.00 0.00 H new ATOM 0 HB2 ARG A 66 22.488 35.701 14.378 1.00 0.00 H new ATOM 0 HB3 ARG A 66 23.901 36.217 13.479 1.00 0.00 H new ATOM 0 HG2 ARG A 66 23.628 34.395 11.859 1.00 0.00 H new ATOM 0 HG3 ARG A 66 22.369 33.652 12.826 1.00 0.00 H new ATOM 0 HD2 ARG A 66 22.058 36.500 11.791 1.00 0.00 H new ATOM 0 HD3 ARG A 66 21.661 35.130 10.772 1.00 0.00 H new ATOM 0 HE ARG A 66 20.356 34.671 13.222 1.00 0.00 H new ATOM 0 HH11 ARG A 66 20.060 37.135 10.667 1.00 0.00 H new ATOM 0 HH12 ARG A 66 18.366 37.408 11.087 1.00 0.00 H new ATOM 0 HH21 ARG A 66 18.268 35.147 13.636 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.416 36.352 12.665 1.00 0.00 H new TER 1044 ARG A 66 ATOM 1045 N GLY B -3 -14.665 6.519 4.513 1.00 0.00 N ATOM 1046 CA GLY B -3 -13.808 5.451 3.945 1.00 0.00 C ATOM 1047 C GLY B -3 -12.351 5.888 3.815 1.00 0.00 C ATOM 1048 O GLY B -3 -11.928 6.827 4.502 1.00 0.00 O ATOM 0 H1 GLY B -3 -15.203 6.141 5.319 1.00 0.00 H new ATOM 0 H2 GLY B -3 -14.069 7.308 4.834 1.00 0.00 H new ATOM 0 H3 GLY B -3 -15.326 6.858 3.785 1.00 0.00 H new ATOM 0 HA2 GLY B -3 -13.865 4.566 4.579 1.00 0.00 H new ATOM 0 HA3 GLY B -3 -14.189 5.165 2.964 1.00 0.00 H new ATOM 1054 N PRO B -2 -11.558 5.224 2.947 1.00 0.00 N ATOM 1055 CA PRO B -2 -10.141 5.534 2.719 1.00 0.00 C ATOM 1056 C PRO B -2 -9.875 6.959 2.205 1.00 0.00 C ATOM 1057 O PRO B -2 -10.718 7.577 1.546 1.00 0.00 O ATOM 1058 CB PRO B -2 -9.637 4.481 1.719 1.00 0.00 C ATOM 1059 CG PRO B -2 -10.587 3.308 1.936 1.00 0.00 C ATOM 1060 CD PRO B -2 -11.915 4.012 2.224 1.00 0.00 C ATOM 0 HA PRO B -2 -9.609 5.499 3.670 1.00 0.00 H new ATOM 0 HB2 PRO B -2 -9.679 4.848 0.693 1.00 0.00 H new ATOM 0 HB3 PRO B -2 -8.602 4.202 1.916 1.00 0.00 H new ATOM 0 HG2 PRO B -2 -10.649 2.667 1.057 1.00 0.00 H new ATOM 0 HG3 PRO B -2 -10.272 2.678 2.768 1.00 0.00 H new ATOM 0 HD2 PRO B -2 -12.444 4.246 1.300 1.00 0.00 H new ATOM 0 HD3 PRO B -2 -12.575 3.380 2.818 1.00 0.00 H new ATOM 1068 N GLY B -1 -8.669 7.466 2.472 1.00 0.00 N ATOM 1069 CA GLY B -1 -8.187 8.771 1.999 1.00 0.00 C ATOM 1070 C GLY B -1 -6.684 8.954 2.228 1.00 0.00 C ATOM 1071 O GLY B -1 -6.120 8.419 3.185 1.00 0.00 O ATOM 0 H GLY B -1 -7.981 6.969 3.038 1.00 0.00 H new ATOM 0 HA2 GLY B -1 -8.405 8.873 0.936 1.00 0.00 H new ATOM 0 HA3 GLY B -1 -8.730 9.564 2.513 1.00 0.00 H new ATOM 1075 N SER B 0 -6.018 9.691 1.334 1.00 0.00 N ATOM 1076 CA SER B 0 -4.563 9.907 1.371 1.00 0.00 C ATOM 1077 C SER B 0 -4.143 10.898 2.476 1.00 0.00 C ATOM 1078 O SER B 0 -4.650 12.025 2.547 1.00 0.00 O ATOM 1079 CB SER B 0 -4.063 10.375 -0.001 1.00 0.00 C ATOM 1080 OG SER B 0 -2.652 10.516 0.015 1.00 0.00 O ATOM 0 H SER B 0 -6.477 10.161 0.554 1.00 0.00 H new ATOM 0 HA SER B 0 -4.097 8.952 1.614 1.00 0.00 H new ATOM 0 HB2 SER B 0 -4.356 9.657 -0.767 1.00 0.00 H new ATOM 0 HB3 SER B 0 -4.528 11.326 -0.261 1.00 0.00 H new ATOM 0 HG SER B 0 -2.343 10.813 -0.866 1.00 0.00 H new ATOM 1086 N MET B 1 -3.197 10.483 3.323 1.00 0.00 N ATOM 1087 CA MET B 1 -2.580 11.268 4.405 1.00 0.00 C ATOM 1088 C MET B 1 -1.054 11.115 4.411 1.00 0.00 C ATOM 1089 O MET B 1 -0.526 10.051 4.076 1.00 0.00 O ATOM 1090 CB MET B 1 -3.132 10.823 5.772 1.00 0.00 C ATOM 1091 CG MET B 1 -4.635 11.081 5.937 1.00 0.00 C ATOM 1092 SD MET B 1 -5.121 12.831 6.077 1.00 0.00 S ATOM 1093 CE MET B 1 -4.455 13.242 7.723 1.00 0.00 C ATOM 0 H MET B 1 -2.817 9.538 3.272 1.00 0.00 H new ATOM 0 HA MET B 1 -2.827 12.315 4.227 1.00 0.00 H new ATOM 0 HB2 MET B 1 -2.937 9.759 5.905 1.00 0.00 H new ATOM 0 HB3 MET B 1 -2.592 11.347 6.561 1.00 0.00 H new ATOM 0 HG2 MET B 1 -5.156 10.645 5.085 1.00 0.00 H new ATOM 0 HG3 MET B 1 -4.981 10.554 6.826 1.00 0.00 H new ATOM 0 HE1 MET B 1 -4.822 14.221 8.030 1.00 0.00 H new ATOM 0 HE2 MET B 1 -4.778 12.491 8.444 1.00 0.00 H new ATOM 0 HE3 MET B 1 -3.366 13.260 7.681 1.00 0.00 H new ATOM 1103 N CYS B 2 -0.348 12.167 4.838 1.00 0.00 N ATOM 1104 CA CYS B 2 1.118 12.221 4.926 1.00 0.00 C ATOM 1105 C CYS B 2 1.638 12.335 6.375 1.00 0.00 C ATOM 1106 O CYS B 2 2.773 12.761 6.595 1.00 0.00 O ATOM 1107 CB CYS B 2 1.650 13.356 4.041 1.00 0.00 C ATOM 1108 SG CYS B 2 1.212 13.230 2.286 1.00 0.00 S ATOM 0 H CYS B 2 -0.794 13.033 5.142 1.00 0.00 H new ATOM 0 HA CYS B 2 1.502 11.270 4.556 1.00 0.00 H new ATOM 0 HB2 CYS B 2 1.274 14.304 4.427 1.00 0.00 H new ATOM 0 HB3 CYS B 2 2.736 13.385 4.128 1.00 0.00 H new ATOM 1113 N MET B 3 0.818 11.972 7.370 1.00 0.00 N ATOM 1114 CA MET B 3 1.159 12.090 8.795 1.00 0.00 C ATOM 1115 C MET B 3 2.456 11.336 9.136 1.00 0.00 C ATOM 1116 O MET B 3 2.674 10.203 8.702 1.00 0.00 O ATOM 1117 CB MET B 3 -0.036 11.683 9.681 1.00 0.00 C ATOM 1118 CG MET B 3 -0.332 10.179 9.788 1.00 0.00 C ATOM 1119 SD MET B 3 -0.944 9.351 8.298 1.00 0.00 S ATOM 1120 CE MET B 3 -1.012 7.660 8.951 1.00 0.00 C ATOM 0 H MET B 3 -0.111 11.584 7.207 1.00 0.00 H new ATOM 0 HA MET B 3 1.365 13.138 9.013 1.00 0.00 H new ATOM 0 HB2 MET B 3 0.138 12.068 10.686 1.00 0.00 H new ATOM 0 HB3 MET B 3 -0.928 12.180 9.299 1.00 0.00 H new ATOM 0 HG2 MET B 3 0.582 9.676 10.103 1.00 0.00 H new ATOM 0 HG3 MET B 3 -1.066 10.034 10.581 1.00 0.00 H new ATOM 0 HE1 MET B 3 -1.371 6.984 8.175 1.00 0.00 H new ATOM 0 HE2 MET B 3 -0.016 7.352 9.268 1.00 0.00 H new ATOM 0 HE3 MET B 3 -1.690 7.626 9.803 1.00 0.00 H new ATOM 1130 N ALA B 4 3.347 12.001 9.872 1.00 0.00 N ATOM 1131 CA ALA B 4 4.722 11.554 10.102 1.00 0.00 C ATOM 1132 C ALA B 4 4.880 10.682 11.360 1.00 0.00 C ATOM 1133 O ALA B 4 3.970 10.553 12.183 1.00 0.00 O ATOM 1134 CB ALA B 4 5.621 12.801 10.153 1.00 0.00 C ATOM 0 H ALA B 4 3.129 12.884 10.335 1.00 0.00 H new ATOM 0 HA ALA B 4 5.021 10.903 9.280 1.00 0.00 H new ATOM 0 HB1 ALA B 4 6.654 12.498 10.324 1.00 0.00 H new ATOM 0 HB2 ALA B 4 5.552 13.338 9.207 1.00 0.00 H new ATOM 0 HB3 ALA B 4 5.295 13.452 10.964 1.00 0.00 H new ATOM 1140 N LYS B 5 6.092 10.148 11.546 1.00 0.00 N ATOM 1141 CA LYS B 5 6.636 9.815 12.865 1.00 0.00 C ATOM 1142 C LYS B 5 7.719 10.818 13.273 1.00 0.00 C ATOM 1143 O LYS B 5 8.512 11.253 12.440 1.00 0.00 O ATOM 1144 CB LYS B 5 7.130 8.355 12.939 1.00 0.00 C ATOM 1145 CG LYS B 5 8.200 7.984 11.895 1.00 0.00 C ATOM 1146 CD LYS B 5 8.968 6.687 12.197 1.00 0.00 C ATOM 1147 CE LYS B 5 8.101 5.421 12.280 1.00 0.00 C ATOM 1148 NZ LYS B 5 7.620 5.154 13.663 1.00 0.00 N1+ ATOM 0 H LYS B 5 6.728 9.933 10.778 1.00 0.00 H new ATOM 0 HA LYS B 5 5.825 9.894 13.589 1.00 0.00 H new ATOM 0 HB2 LYS B 5 7.535 8.173 13.935 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.275 7.690 12.816 1.00 0.00 H new ATOM 0 HG2 LYS B 5 7.720 7.888 10.921 1.00 0.00 H new ATOM 0 HG3 LYS B 5 8.914 8.804 11.819 1.00 0.00 H new ATOM 0 HD2 LYS B 5 9.723 6.542 11.424 1.00 0.00 H new ATOM 0 HD3 LYS B 5 9.498 6.808 13.142 1.00 0.00 H new ATOM 0 HE2 LYS B 5 7.245 5.526 11.614 1.00 0.00 H new ATOM 0 HE3 LYS B 5 8.677 4.566 11.927 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 7.171 4.217 13.700 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 8.425 5.178 14.321 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 6.927 5.880 13.936 1.00 0.00 H new ATOM 1162 N VAL B 6 7.758 11.156 14.560 1.00 0.00 N ATOM 1163 CA VAL B 6 8.891 11.847 15.199 1.00 0.00 C ATOM 1164 C VAL B 6 9.808 10.823 15.872 1.00 0.00 C ATOM 1165 O VAL B 6 9.316 9.861 16.468 1.00 0.00 O ATOM 1166 CB VAL B 6 8.403 12.932 16.179 1.00 0.00 C ATOM 1167 CG1 VAL B 6 9.522 13.513 17.057 1.00 0.00 C ATOM 1168 CG2 VAL B 6 7.802 14.106 15.398 1.00 0.00 C ATOM 0 H VAL B 6 6.993 10.957 15.205 1.00 0.00 H new ATOM 0 HA VAL B 6 9.471 12.364 14.435 1.00 0.00 H new ATOM 0 HB VAL B 6 7.673 12.440 16.821 1.00 0.00 H new ATOM 0 HG11 VAL B 6 9.107 14.270 17.722 1.00 0.00 H new ATOM 0 HG12 VAL B 6 9.970 12.716 17.650 1.00 0.00 H new ATOM 0 HG13 VAL B 6 10.284 13.966 16.423 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.459 14.870 16.096 1.00 0.00 H new ATOM 0 HG22 VAL B 6 8.560 14.531 14.739 1.00 0.00 H new ATOM 0 HG23 VAL B 6 6.960 13.754 14.803 1.00 0.00 H new ATOM 1178 N VAL B 7 11.123 11.041 15.808 1.00 0.00 N ATOM 1179 CA VAL B 7 12.154 10.224 16.469 1.00 0.00 C ATOM 1180 C VAL B 7 13.204 11.096 17.172 1.00 0.00 C ATOM 1181 O VAL B 7 13.627 12.133 16.655 1.00 0.00 O ATOM 1182 CB VAL B 7 12.770 9.197 15.491 1.00 0.00 C ATOM 1183 CG1 VAL B 7 13.481 9.832 14.285 1.00 0.00 C ATOM 1184 CG2 VAL B 7 13.769 8.261 16.189 1.00 0.00 C ATOM 0 H VAL B 7 11.518 11.817 15.277 1.00 0.00 H new ATOM 0 HA VAL B 7 11.672 9.645 17.256 1.00 0.00 H new ATOM 0 HB VAL B 7 11.911 8.634 15.127 1.00 0.00 H new ATOM 0 HG11 VAL B 7 13.886 9.047 13.647 1.00 0.00 H new ATOM 0 HG12 VAL B 7 12.769 10.431 13.717 1.00 0.00 H new ATOM 0 HG13 VAL B 7 14.293 10.469 14.635 1.00 0.00 H new ATOM 0 HG21 VAL B 7 14.176 7.557 15.463 1.00 0.00 H new ATOM 0 HG22 VAL B 7 14.580 8.849 16.618 1.00 0.00 H new ATOM 0 HG23 VAL B 7 13.260 7.712 16.981 1.00 0.00 H new ATOM 1194 N LEU B 8 13.632 10.663 18.363 1.00 0.00 N ATOM 1195 CA LEU B 8 14.645 11.319 19.202 1.00 0.00 C ATOM 1196 C LEU B 8 15.448 10.298 20.028 1.00 0.00 C ATOM 1197 O LEU B 8 15.017 9.155 20.215 1.00 0.00 O ATOM 1198 CB LEU B 8 13.966 12.386 20.093 1.00 0.00 C ATOM 1199 CG LEU B 8 12.914 11.820 21.073 1.00 0.00 C ATOM 1200 CD1 LEU B 8 13.139 12.350 22.490 1.00 0.00 C ATOM 1201 CD2 LEU B 8 11.492 12.191 20.657 1.00 0.00 C ATOM 0 H LEU B 8 13.268 9.810 18.788 1.00 0.00 H new ATOM 0 HA LEU B 8 15.367 11.819 18.557 1.00 0.00 H new ATOM 0 HB2 LEU B 8 14.734 12.908 20.664 1.00 0.00 H new ATOM 0 HB3 LEU B 8 13.487 13.126 19.452 1.00 0.00 H new ATOM 0 HG LEU B 8 13.031 10.737 21.051 1.00 0.00 H new ATOM 0 HD11 LEU B 8 12.384 11.935 23.158 1.00 0.00 H new ATOM 0 HD12 LEU B 8 14.130 12.056 22.835 1.00 0.00 H new ATOM 0 HD13 LEU B 8 13.063 13.437 22.488 1.00 0.00 H new ATOM 0 HD21 LEU B 8 10.783 11.774 21.372 1.00 0.00 H new ATOM 0 HD22 LEU B 8 11.390 13.276 20.636 1.00 0.00 H new ATOM 0 HD23 LEU B 8 11.286 11.788 19.665 1.00 0.00 H new ATOM 1213 N THR B 9 16.607 10.725 20.544 1.00 0.00 N ATOM 1214 CA THR B 9 17.532 9.891 21.338 1.00 0.00 C ATOM 1215 C THR B 9 17.706 10.458 22.751 1.00 0.00 C ATOM 1216 O THR B 9 17.896 11.667 22.928 1.00 0.00 O ATOM 1217 CB THR B 9 18.887 9.761 20.623 1.00 0.00 C ATOM 1218 OG1 THR B 9 18.674 9.254 19.321 1.00 0.00 O ATOM 1219 CG2 THR B 9 19.869 8.798 21.301 1.00 0.00 C ATOM 0 H THR B 9 16.940 11.681 20.421 1.00 0.00 H new ATOM 0 HA THR B 9 17.100 8.895 21.432 1.00 0.00 H new ATOM 0 HB THR B 9 19.321 10.761 20.639 1.00 0.00 H new ATOM 0 HG1 THR B 9 19.462 9.435 18.767 1.00 0.00 H new ATOM 0 HG21 THR B 9 20.798 8.766 20.732 1.00 0.00 H new ATOM 0 HG22 THR B 9 20.076 9.143 22.314 1.00 0.00 H new ATOM 0 HG23 THR B 9 19.432 7.800 21.339 1.00 0.00 H new ATOM 1227 N LYS B 10 17.627 9.592 23.766 1.00 0.00 N ATOM 1228 CA LYS B 10 17.735 9.939 25.198 1.00 0.00 C ATOM 1229 C LYS B 10 19.179 10.182 25.642 1.00 0.00 C ATOM 1230 O LYS B 10 20.127 9.679 25.036 1.00 0.00 O ATOM 1231 CB LYS B 10 17.127 8.823 26.067 1.00 0.00 C ATOM 1232 CG LYS B 10 15.660 8.474 25.747 1.00 0.00 C ATOM 1233 CD LYS B 10 15.069 7.557 26.829 1.00 0.00 C ATOM 1234 CE LYS B 10 14.710 8.349 28.095 1.00 0.00 C ATOM 1235 NZ LYS B 10 14.515 7.455 29.265 1.00 0.00 N1+ ATOM 0 H LYS B 10 17.481 8.594 23.615 1.00 0.00 H new ATOM 0 HA LYS B 10 17.183 10.869 25.331 1.00 0.00 H new ATOM 0 HB2 LYS B 10 17.732 7.924 25.952 1.00 0.00 H new ATOM 0 HB3 LYS B 10 17.194 9.121 27.113 1.00 0.00 H new ATOM 0 HG2 LYS B 10 15.071 9.388 25.677 1.00 0.00 H new ATOM 0 HG3 LYS B 10 15.602 7.983 24.776 1.00 0.00 H new ATOM 0 HD2 LYS B 10 14.178 7.062 26.442 1.00 0.00 H new ATOM 0 HD3 LYS B 10 15.786 6.775 27.078 1.00 0.00 H new ATOM 0 HE2 LYS B 10 15.502 9.066 28.313 1.00 0.00 H new ATOM 0 HE3 LYS B 10 13.800 8.923 27.920 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 13.876 7.911 29.948 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 14.099 6.556 28.949 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 15.433 7.272 29.719 1.00 0.00 H new ATOM 1249 N ALA B 11 19.338 10.841 26.788 1.00 0.00 N ATOM 1250 CA ALA B 11 20.610 10.926 27.519 1.00 0.00 C ATOM 1251 C ALA B 11 21.110 9.548 28.012 1.00 0.00 C ATOM 1252 O ALA B 11 22.312 9.329 28.170 1.00 0.00 O ATOM 1253 CB ALA B 11 20.410 11.879 28.704 1.00 0.00 C ATOM 0 H ALA B 11 18.576 11.341 27.246 1.00 0.00 H new ATOM 0 HA ALA B 11 21.378 11.300 26.841 1.00 0.00 H new ATOM 0 HB1 ALA B 11 21.340 11.961 29.266 1.00 0.00 H new ATOM 0 HB2 ALA B 11 20.121 12.863 28.335 1.00 0.00 H new ATOM 0 HB3 ALA B 11 19.626 11.491 29.355 1.00 0.00 H new ATOM 1259 N ASP B 12 20.183 8.607 28.221 1.00 0.00 N ATOM 1260 CA ASP B 12 20.437 7.200 28.554 1.00 0.00 C ATOM 1261 C ASP B 12 21.036 6.380 27.383 1.00 0.00 C ATOM 1262 O ASP B 12 21.434 5.226 27.570 1.00 0.00 O ATOM 1263 CB ASP B 12 19.101 6.559 28.976 1.00 0.00 C ATOM 1264 CG ASP B 12 18.377 7.211 30.162 1.00 0.00 C ATOM 1265 OD1 ASP B 12 19.021 7.846 31.033 1.00 0.00 O ATOM 1266 OD2 ASP B 12 17.132 7.061 30.233 1.00 0.00 O1- ATOM 0 H ASP B 12 19.186 8.815 28.160 1.00 0.00 H new ATOM 0 HA ASP B 12 21.176 7.185 29.355 1.00 0.00 H new ATOM 0 HB2 ASP B 12 18.430 6.571 28.117 1.00 0.00 H new ATOM 0 HB3 ASP B 12 19.286 5.513 29.221 1.00 0.00 H new ATOM 1271 N GLY B 13 21.064 6.940 26.168 1.00 0.00 N ATOM 1272 CA GLY B 13 21.375 6.234 24.917 1.00 0.00 C ATOM 1273 C GLY B 13 20.195 5.442 24.327 1.00 0.00 C ATOM 1274 O GLY B 13 20.371 4.728 23.335 1.00 0.00 O ATOM 0 H GLY B 13 20.864 7.930 26.022 1.00 0.00 H new ATOM 0 HA2 GLY B 13 21.716 6.960 24.179 1.00 0.00 H new ATOM 0 HA3 GLY B 13 22.204 5.549 25.096 1.00 0.00 H new ATOM 1278 N GLY B 14 18.998 5.549 24.921 1.00 0.00 N ATOM 1279 CA GLY B 14 17.761 4.941 24.417 1.00 0.00 C ATOM 1280 C GLY B 14 17.127 5.742 23.274 1.00 0.00 C ATOM 1281 O GLY B 14 17.548 6.863 22.976 1.00 0.00 O ATOM 0 H GLY B 14 18.861 6.073 25.785 1.00 0.00 H new ATOM 0 HA2 GLY B 14 17.974 3.929 24.071 1.00 0.00 H new ATOM 0 HA3 GLY B 14 17.045 4.854 25.234 1.00 0.00 H new ATOM 1285 N ARG B 15 16.087 5.189 22.642 1.00 0.00 N ATOM 1286 CA ARG B 15 15.307 5.843 21.572 1.00 0.00 C ATOM 1287 C ARG B 15 13.844 6.037 21.981 1.00 0.00 C ATOM 1288 O ARG B 15 13.282 5.193 22.685 1.00 0.00 O ATOM 1289 CB ARG B 15 15.416 5.019 20.272 1.00 0.00 C ATOM 1290 CG ARG B 15 15.420 5.891 18.998 1.00 0.00 C ATOM 1291 CD ARG B 15 16.792 6.526 18.717 1.00 0.00 C ATOM 1292 NE ARG B 15 17.769 5.508 18.259 1.00 0.00 N ATOM 1293 CZ ARG B 15 19.068 5.661 18.092 1.00 0.00 C ATOM 1294 NH1 ARG B 15 19.687 6.782 18.334 1.00 0.00 N1+ ATOM 1295 NH2 ARG B 15 19.790 4.665 17.666 1.00 0.00 N ATOM 0 H ARG B 15 15.751 4.251 22.861 1.00 0.00 H new ATOM 0 HA ARG B 15 15.723 6.835 21.398 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.330 4.426 20.301 1.00 0.00 H new ATOM 0 HB3 ARG B 15 14.582 4.318 20.222 1.00 0.00 H new ATOM 0 HG2 ARG B 15 15.125 5.281 18.144 1.00 0.00 H new ATOM 0 HG3 ARG B 15 14.674 6.679 19.100 1.00 0.00 H new ATOM 0 HD2 ARG B 15 16.688 7.302 17.959 1.00 0.00 H new ATOM 0 HD3 ARG B 15 17.164 7.011 19.620 1.00 0.00 H new ATOM 0 HE ARG B 15 17.393 4.583 18.049 1.00 0.00 H new ATOM 0 HH11 ARG B 15 19.164 7.591 18.668 1.00 0.00 H new ATOM 0 HH12 ARG B 15 20.694 6.850 18.189 1.00 0.00 H new ATOM 0 HH21 ARG B 15 19.351 3.767 17.462 1.00 0.00 H new ATOM 0 HH22 ARG B 15 20.795 4.782 17.536 1.00 0.00 H new ATOM 1309 N VAL B 16 13.230 7.125 21.525 1.00 0.00 N ATOM 1310 CA VAL B 16 11.809 7.463 21.750 1.00 0.00 C ATOM 1311 C VAL B 16 11.171 7.923 20.430 1.00 0.00 C ATOM 1312 O VAL B 16 11.797 8.637 19.643 1.00 0.00 O ATOM 1313 CB VAL B 16 11.659 8.516 22.877 1.00 0.00 C ATOM 1314 CG1 VAL B 16 10.219 9.030 23.039 1.00 0.00 C ATOM 1315 CG2 VAL B 16 12.100 7.957 24.236 1.00 0.00 C ATOM 0 H VAL B 16 13.717 7.827 20.968 1.00 0.00 H new ATOM 0 HA VAL B 16 11.276 6.574 22.087 1.00 0.00 H new ATOM 0 HB VAL B 16 12.301 9.341 22.570 1.00 0.00 H new ATOM 0 HG11 VAL B 16 10.183 9.764 23.844 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.892 9.495 22.109 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.560 8.196 23.279 1.00 0.00 H new ATOM 0 HG21 VAL B 16 11.980 8.724 25.001 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.487 7.092 24.490 1.00 0.00 H new ATOM 0 HG23 VAL B 16 13.147 7.657 24.184 1.00 0.00 H new ATOM 1325 N GLU B 17 9.927 7.506 20.186 1.00 0.00 N ATOM 1326 CA GLU B 17 9.164 7.802 18.964 1.00 0.00 C ATOM 1327 C GLU B 17 7.689 8.141 19.237 1.00 0.00 C ATOM 1328 O GLU B 17 7.094 7.669 20.209 1.00 0.00 O ATOM 1329 CB GLU B 17 9.217 6.626 17.969 1.00 0.00 C ATOM 1330 CG GLU B 17 10.618 6.332 17.411 1.00 0.00 C ATOM 1331 CD GLU B 17 10.607 5.180 16.386 1.00 0.00 C ATOM 1332 OE1 GLU B 17 11.553 4.354 16.388 1.00 0.00 O ATOM 1333 OE2 GLU B 17 9.668 5.094 15.557 1.00 0.00 O1- ATOM 0 H GLU B 17 9.404 6.936 20.851 1.00 0.00 H new ATOM 0 HA GLU B 17 9.644 8.682 18.535 1.00 0.00 H new ATOM 0 HB2 GLU B 17 8.840 5.730 18.463 1.00 0.00 H new ATOM 0 HB3 GLU B 17 8.545 6.838 17.138 1.00 0.00 H new ATOM 0 HG2 GLU B 17 11.016 7.231 16.940 1.00 0.00 H new ATOM 0 HG3 GLU B 17 11.289 6.079 18.232 1.00 0.00 H new ATOM 1340 N ILE B 18 7.089 8.938 18.348 1.00 0.00 N ATOM 1341 CA ILE B 18 5.649 9.262 18.303 1.00 0.00 C ATOM 1342 C ILE B 18 5.149 9.050 16.871 1.00 0.00 C ATOM 1343 O ILE B 18 5.734 9.604 15.941 1.00 0.00 O ATOM 1344 CB ILE B 18 5.381 10.719 18.753 1.00 0.00 C ATOM 1345 CG1 ILE B 18 5.887 10.998 20.186 1.00 0.00 C ATOM 1346 CG2 ILE B 18 3.879 11.061 18.677 1.00 0.00 C ATOM 1347 CD1 ILE B 18 6.130 12.488 20.433 1.00 0.00 C ATOM 0 H ILE B 18 7.612 9.399 17.604 1.00 0.00 H new ATOM 0 HA ILE B 18 5.115 8.607 18.992 1.00 0.00 H new ATOM 0 HB ILE B 18 5.937 11.352 18.062 1.00 0.00 H new ATOM 0 HG12 ILE B 18 5.158 10.626 20.906 1.00 0.00 H new ATOM 0 HG13 ILE B 18 6.812 10.448 20.356 1.00 0.00 H new ATOM 0 HG21 ILE B 18 3.724 12.091 18.999 1.00 0.00 H new ATOM 0 HG22 ILE B 18 3.531 10.946 17.650 1.00 0.00 H new ATOM 0 HG23 ILE B 18 3.319 10.389 19.327 1.00 0.00 H new ATOM 0 HD11 ILE B 18 6.485 12.635 21.453 1.00 0.00 H new ATOM 0 HD12 ILE B 18 6.879 12.856 19.732 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.199 13.037 20.290 1.00 0.00 H new ATOM 1359 N GLY B 19 4.081 8.269 16.673 1.00 0.00 N ATOM 1360 CA GLY B 19 3.449 8.030 15.365 1.00 0.00 C ATOM 1361 C GLY B 19 2.228 8.924 15.097 1.00 0.00 C ATOM 1362 O GLY B 19 1.738 9.620 15.989 1.00 0.00 O ATOM 0 H GLY B 19 3.619 7.772 17.435 1.00 0.00 H new ATOM 0 HA2 GLY B 19 4.187 8.193 14.580 1.00 0.00 H new ATOM 0 HA3 GLY B 19 3.144 6.985 15.304 1.00 0.00 H new ATOM 1366 N ASP B 20 1.711 8.881 13.866 1.00 0.00 N ATOM 1367 CA ASP B 20 0.499 9.589 13.417 1.00 0.00 C ATOM 1368 C ASP B 20 0.528 11.119 13.648 1.00 0.00 C ATOM 1369 O ASP B 20 -0.479 11.737 14.005 1.00 0.00 O ATOM 1370 CB ASP B 20 -0.773 8.895 13.949 1.00 0.00 C ATOM 1371 CG ASP B 20 -0.829 7.384 13.660 1.00 0.00 C ATOM 1372 OD1 ASP B 20 -0.266 6.921 12.637 1.00 0.00 O ATOM 1373 OD2 ASP B 20 -1.470 6.647 14.444 1.00 0.00 O1- ATOM 0 H ASP B 20 2.139 8.331 13.121 1.00 0.00 H new ATOM 0 HA ASP B 20 0.476 9.509 12.330 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -0.836 9.051 15.026 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -1.647 9.372 13.506 1.00 0.00 H new ATOM 1378 N VAL B 21 1.691 11.747 13.470 1.00 0.00 N ATOM 1379 CA VAL B 21 1.945 13.178 13.726 1.00 0.00 C ATOM 1380 C VAL B 21 1.410 14.068 12.596 1.00 0.00 C ATOM 1381 O VAL B 21 1.829 13.928 11.446 1.00 0.00 O ATOM 1382 CB VAL B 21 3.451 13.413 13.956 1.00 0.00 C ATOM 1383 CG1 VAL B 21 3.782 14.897 14.154 1.00 0.00 C ATOM 1384 CG2 VAL B 21 3.941 12.634 15.187 1.00 0.00 C ATOM 0 H VAL B 21 2.520 11.259 13.130 1.00 0.00 H new ATOM 0 HA VAL B 21 1.403 13.460 14.629 1.00 0.00 H new ATOM 0 HB VAL B 21 3.959 13.059 13.059 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.854 15.013 14.312 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.484 15.458 13.268 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.244 15.277 15.022 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.006 12.814 15.331 1.00 0.00 H new ATOM 0 HG22 VAL B 21 3.394 12.967 16.069 1.00 0.00 H new ATOM 0 HG23 VAL B 21 3.770 11.568 15.035 1.00 0.00 H new ATOM 1394 N LEU B 22 0.514 15.010 12.916 1.00 0.00 N ATOM 1395 CA LEU B 22 0.019 16.019 11.971 1.00 0.00 C ATOM 1396 C LEU B 22 0.895 17.278 11.925 1.00 0.00 C ATOM 1397 O LEU B 22 1.024 17.885 10.859 1.00 0.00 O ATOM 1398 CB LEU B 22 -1.436 16.406 12.312 1.00 0.00 C ATOM 1399 CG LEU B 22 -2.478 15.280 12.181 1.00 0.00 C ATOM 1400 CD1 LEU B 22 -3.863 15.878 12.422 1.00 0.00 C ATOM 1401 CD2 LEU B 22 -2.489 14.622 10.804 1.00 0.00 C ATOM 0 H LEU B 22 0.108 15.094 13.848 1.00 0.00 H new ATOM 0 HA LEU B 22 0.060 15.564 10.982 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -1.462 16.782 13.335 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -1.735 17.229 11.663 1.00 0.00 H new ATOM 0 HG LEU B 22 -2.216 14.514 12.911 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.617 15.096 12.334 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -3.904 16.310 13.422 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.058 16.655 11.683 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -3.246 13.838 10.781 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -2.718 15.370 10.045 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -1.510 14.187 10.601 1.00 0.00 H new ATOM 1413 N GLU B 23 1.517 17.668 13.040 1.00 0.00 N ATOM 1414 CA GLU B 23 2.413 18.828 13.098 1.00 0.00 C ATOM 1415 C GLU B 23 3.472 18.745 14.208 1.00 0.00 C ATOM 1416 O GLU B 23 3.280 18.104 15.250 1.00 0.00 O ATOM 1417 CB GLU B 23 1.609 20.139 13.188 1.00 0.00 C ATOM 1418 CG GLU B 23 0.738 20.253 14.448 1.00 0.00 C ATOM 1419 CD GLU B 23 0.060 21.632 14.533 1.00 0.00 C ATOM 1420 OE1 GLU B 23 -1.190 21.707 14.537 1.00 0.00 O ATOM 1421 OE2 GLU B 23 0.773 22.661 14.622 1.00 0.00 O1- ATOM 0 H GLU B 23 1.414 17.186 13.933 1.00 0.00 H new ATOM 0 HA GLU B 23 2.973 18.820 12.163 1.00 0.00 H new ATOM 0 HB2 GLU B 23 2.301 20.980 13.160 1.00 0.00 H new ATOM 0 HB3 GLU B 23 0.970 20.223 12.309 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -0.022 19.471 14.440 1.00 0.00 H new ATOM 0 HG3 GLU B 23 1.352 20.092 15.334 1.00 0.00 H new ATOM 1428 N VAL B 24 4.588 19.446 13.973 1.00 0.00 N ATOM 1429 CA VAL B 24 5.748 19.587 14.872 1.00 0.00 C ATOM 1430 C VAL B 24 6.180 21.056 14.923 1.00 0.00 C ATOM 1431 O VAL B 24 6.134 21.752 13.904 1.00 0.00 O ATOM 1432 CB VAL B 24 6.923 18.689 14.424 1.00 0.00 C ATOM 1433 CG1 VAL B 24 8.100 18.714 15.413 1.00 0.00 C ATOM 1434 CG2 VAL B 24 6.496 17.229 14.268 1.00 0.00 C ATOM 0 H VAL B 24 4.716 19.961 13.102 1.00 0.00 H new ATOM 0 HA VAL B 24 5.454 19.262 15.870 1.00 0.00 H new ATOM 0 HB VAL B 24 7.239 19.101 13.466 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.896 18.066 15.047 1.00 0.00 H new ATOM 0 HG12 VAL B 24 8.476 19.733 15.506 1.00 0.00 H new ATOM 0 HG13 VAL B 24 7.764 18.361 16.388 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.351 16.632 13.952 1.00 0.00 H new ATOM 0 HG22 VAL B 24 6.125 16.855 15.222 1.00 0.00 H new ATOM 0 HG23 VAL B 24 5.707 17.159 13.519 1.00 0.00 H new ATOM 1444 N ARG B 25 6.593 21.550 16.098 1.00 0.00 N ATOM 1445 CA ARG B 25 6.963 22.958 16.324 1.00 0.00 C ATOM 1446 C ARG B 25 8.260 23.064 17.131 1.00 0.00 C ATOM 1447 O ARG B 25 8.383 22.410 18.163 1.00 0.00 O ATOM 1448 CB ARG B 25 5.821 23.692 17.057 1.00 0.00 C ATOM 1449 CG ARG B 25 4.450 23.582 16.375 1.00 0.00 C ATOM 1450 CD ARG B 25 3.456 24.548 17.026 1.00 0.00 C ATOM 1451 NE ARG B 25 2.125 24.439 16.410 1.00 0.00 N ATOM 1452 CZ ARG B 25 1.073 25.208 16.631 1.00 0.00 C ATOM 1453 NH1 ARG B 25 1.090 26.218 17.459 1.00 0.00 N1+ ATOM 1454 NH2 ARG B 25 -0.028 24.953 15.990 1.00 0.00 N ATOM 0 H ARG B 25 6.682 20.974 16.935 1.00 0.00 H new ATOM 0 HA ARG B 25 7.128 23.427 15.354 1.00 0.00 H new ATOM 0 HB2 ARG B 25 5.742 23.295 18.069 1.00 0.00 H new ATOM 0 HB3 ARG B 25 6.084 24.746 17.148 1.00 0.00 H new ATOM 0 HG2 ARG B 25 4.545 23.808 15.313 1.00 0.00 H new ATOM 0 HG3 ARG B 25 4.079 22.560 16.452 1.00 0.00 H new ATOM 0 HD2 ARG B 25 3.384 24.335 18.093 1.00 0.00 H new ATOM 0 HD3 ARG B 25 3.822 25.570 16.929 1.00 0.00 H new ATOM 0 HE ARG B 25 1.999 23.684 15.736 1.00 0.00 H new ATOM 0 HH11 ARG B 25 1.943 26.444 17.971 1.00 0.00 H new ATOM 0 HH12 ARG B 25 0.250 26.781 17.594 1.00 0.00 H new ATOM 0 HH21 ARG B 25 -0.067 24.174 15.333 1.00 0.00 H new ATOM 0 HH22 ARG B 25 -0.853 25.532 16.144 1.00 0.00 H new ATOM 1468 N ALA B 26 9.198 23.894 16.688 1.00 0.00 N ATOM 1469 CA ALA B 26 10.400 24.262 17.443 1.00 0.00 C ATOM 1470 C ALA B 26 10.199 25.627 18.121 1.00 0.00 C ATOM 1471 O ALA B 26 10.138 26.670 17.464 1.00 0.00 O ATOM 1472 CB ALA B 26 11.608 24.254 16.500 1.00 0.00 C ATOM 0 H ALA B 26 9.147 24.342 15.773 1.00 0.00 H new ATOM 0 HA ALA B 26 10.586 23.536 18.235 1.00 0.00 H new ATOM 0 HB1 ALA B 26 12.505 24.527 17.056 1.00 0.00 H new ATOM 0 HB2 ALA B 26 11.733 23.257 16.077 1.00 0.00 H new ATOM 0 HB3 ALA B 26 11.447 24.972 15.696 1.00 0.00 H new ATOM 1478 N GLU B 27 10.091 25.615 19.447 1.00 0.00 N ATOM 1479 CA GLU B 27 9.996 26.798 20.306 1.00 0.00 C ATOM 1480 C GLU B 27 11.394 27.275 20.744 1.00 0.00 C ATOM 1481 O GLU B 27 12.400 26.589 20.528 1.00 0.00 O ATOM 1482 CB GLU B 27 9.113 26.475 21.534 1.00 0.00 C ATOM 1483 CG GLU B 27 7.793 25.729 21.269 1.00 0.00 C ATOM 1484 CD GLU B 27 6.769 26.512 20.418 1.00 0.00 C ATOM 1485 OE1 GLU B 27 7.112 27.039 19.332 1.00 0.00 O ATOM 1486 OE2 GLU B 27 5.578 26.573 20.822 1.00 0.00 O1- ATOM 0 H GLU B 27 10.066 24.744 19.978 1.00 0.00 H new ATOM 0 HA GLU B 27 9.536 27.609 19.742 1.00 0.00 H new ATOM 0 HB2 GLU B 27 9.705 25.880 22.229 1.00 0.00 H new ATOM 0 HB3 GLU B 27 8.877 27.412 22.038 1.00 0.00 H new ATOM 0 HG2 GLU B 27 8.018 24.788 20.767 1.00 0.00 H new ATOM 0 HG3 GLU B 27 7.334 25.479 22.226 1.00 0.00 H new ATOM 1493 N GLY B 28 11.475 28.433 21.407 1.00 0.00 N ATOM 1494 CA GLY B 28 12.716 29.009 21.963 1.00 0.00 C ATOM 1495 C GLY B 28 13.249 28.299 23.222 1.00 0.00 C ATOM 1496 O GLY B 28 13.556 28.954 24.223 1.00 0.00 O ATOM 0 H GLY B 28 10.657 29.018 21.580 1.00 0.00 H new ATOM 0 HA2 GLY B 28 13.488 28.984 21.194 1.00 0.00 H new ATOM 0 HA3 GLY B 28 12.538 30.058 22.202 1.00 0.00 H new ATOM 1500 N GLY B 29 13.315 26.964 23.200 1.00 0.00 N ATOM 1501 CA GLY B 29 13.793 26.123 24.311 1.00 0.00 C ATOM 1502 C GLY B 29 13.314 24.661 24.301 1.00 0.00 C ATOM 1503 O GLY B 29 13.703 23.897 25.187 1.00 0.00 O ATOM 0 H GLY B 29 13.030 26.419 22.386 1.00 0.00 H new ATOM 0 HA2 GLY B 29 14.883 26.128 24.302 1.00 0.00 H new ATOM 0 HA3 GLY B 29 13.480 26.581 25.249 1.00 0.00 H new ATOM 1507 N ALA B 30 12.464 24.252 23.353 1.00 0.00 N ATOM 1508 CA ALA B 30 11.839 22.927 23.307 1.00 0.00 C ATOM 1509 C ALA B 30 11.262 22.603 21.912 1.00 0.00 C ATOM 1510 O ALA B 30 10.958 23.506 21.130 1.00 0.00 O ATOM 1511 CB ALA B 30 10.704 22.883 24.346 1.00 0.00 C ATOM 0 H ALA B 30 12.185 24.850 22.576 1.00 0.00 H new ATOM 0 HA ALA B 30 12.604 22.183 23.527 1.00 0.00 H new ATOM 0 HB1 ALA B 30 10.228 21.902 24.324 1.00 0.00 H new ATOM 0 HB2 ALA B 30 11.113 23.066 25.340 1.00 0.00 H new ATOM 0 HB3 ALA B 30 9.966 23.650 24.111 1.00 0.00 H new ATOM 1517 N VAL B 31 11.035 21.317 21.638 1.00 0.00 N ATOM 1518 CA VAL B 31 10.179 20.853 20.524 1.00 0.00 C ATOM 1519 C VAL B 31 8.824 20.371 21.046 1.00 0.00 C ATOM 1520 O VAL B 31 8.752 19.779 22.125 1.00 0.00 O ATOM 1521 CB VAL B 31 10.870 19.767 19.679 1.00 0.00 C ATOM 1522 CG1 VAL B 31 9.956 19.072 18.661 1.00 0.00 C ATOM 1523 CG2 VAL B 31 12.013 20.400 18.882 1.00 0.00 C ATOM 0 H VAL B 31 11.440 20.555 22.183 1.00 0.00 H new ATOM 0 HA VAL B 31 10.008 21.705 19.866 1.00 0.00 H new ATOM 0 HB VAL B 31 11.205 19.017 20.395 1.00 0.00 H new ATOM 0 HG11 VAL B 31 10.527 18.323 18.111 1.00 0.00 H new ATOM 0 HG12 VAL B 31 9.131 18.588 19.184 1.00 0.00 H new ATOM 0 HG13 VAL B 31 9.560 19.810 17.964 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.506 19.635 18.282 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.614 21.174 18.227 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.734 20.842 19.569 1.00 0.00 H new ATOM 1533 N ARG B 32 7.753 20.606 20.276 1.00 0.00 N ATOM 1534 CA ARG B 32 6.379 20.144 20.526 1.00 0.00 C ATOM 1535 C ARG B 32 5.862 19.319 19.344 1.00 0.00 C ATOM 1536 O ARG B 32 6.211 19.599 18.197 1.00 0.00 O ATOM 1537 CB ARG B 32 5.459 21.349 20.779 1.00 0.00 C ATOM 1538 CG ARG B 32 5.827 22.162 22.032 1.00 0.00 C ATOM 1539 CD ARG B 32 5.113 23.518 22.031 1.00 0.00 C ATOM 1540 NE ARG B 32 3.646 23.389 22.099 1.00 0.00 N ATOM 1541 CZ ARG B 32 2.752 24.335 21.891 1.00 0.00 C ATOM 1542 NH1 ARG B 32 3.057 25.550 21.531 1.00 0.00 N1+ ATOM 1543 NH2 ARG B 32 1.496 24.033 22.068 1.00 0.00 N ATOM 0 H ARG B 32 7.824 21.152 19.417 1.00 0.00 H new ATOM 0 HA ARG B 32 6.381 19.507 21.411 1.00 0.00 H new ATOM 0 HB2 ARG B 32 5.490 22.006 19.910 1.00 0.00 H new ATOM 0 HB3 ARG B 32 4.432 20.996 20.876 1.00 0.00 H new ATOM 0 HG2 ARG B 32 5.554 21.603 22.927 1.00 0.00 H new ATOM 0 HG3 ARG B 32 6.906 22.314 22.068 1.00 0.00 H new ATOM 0 HD2 ARG B 32 5.461 24.108 22.879 1.00 0.00 H new ATOM 0 HD3 ARG B 32 5.384 24.066 21.129 1.00 0.00 H new ATOM 0 HE ARG B 32 3.282 22.465 22.333 1.00 0.00 H new ATOM 0 HH11 ARG B 32 4.033 25.812 21.395 1.00 0.00 H new ATOM 0 HH12 ARG B 32 2.319 26.239 21.385 1.00 0.00 H new ATOM 0 HH21 ARG B 32 1.234 23.091 22.358 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.775 24.739 21.917 1.00 0.00 H new ATOM 1557 N VAL B 33 5.022 18.321 19.612 1.00 0.00 N ATOM 1558 CA VAL B 33 4.511 17.334 18.643 1.00 0.00 C ATOM 1559 C VAL B 33 3.013 17.110 18.871 1.00 0.00 C ATOM 1560 O VAL B 33 2.620 16.862 20.011 1.00 0.00 O ATOM 1561 CB VAL B 33 5.272 15.995 18.793 1.00 0.00 C ATOM 1562 CG1 VAL B 33 4.817 14.962 17.761 1.00 0.00 C ATOM 1563 CG2 VAL B 33 6.796 16.157 18.662 1.00 0.00 C ATOM 0 H VAL B 33 4.658 18.165 20.552 1.00 0.00 H new ATOM 0 HA VAL B 33 4.667 17.716 17.634 1.00 0.00 H new ATOM 0 HB VAL B 33 5.035 15.648 19.799 1.00 0.00 H new ATOM 0 HG11 VAL B 33 5.376 14.037 17.901 1.00 0.00 H new ATOM 0 HG12 VAL B 33 3.752 14.765 17.888 1.00 0.00 H new ATOM 0 HG13 VAL B 33 4.998 15.346 16.757 1.00 0.00 H new ATOM 0 HG21 VAL B 33 7.276 15.185 18.776 1.00 0.00 H new ATOM 0 HG22 VAL B 33 7.035 16.567 17.681 1.00 0.00 H new ATOM 0 HG23 VAL B 33 7.158 16.834 19.436 1.00 0.00 H new ATOM 1573 N THR B 34 2.190 17.146 17.811 1.00 0.00 N ATOM 1574 CA THR B 34 0.728 16.945 17.893 1.00 0.00 C ATOM 1575 C THR B 34 0.244 15.841 16.947 1.00 0.00 C ATOM 1576 O THR B 34 0.568 15.838 15.760 1.00 0.00 O ATOM 1577 CB THR B 34 -0.030 18.261 17.640 1.00 0.00 C ATOM 1578 OG1 THR B 34 0.380 19.266 18.554 1.00 0.00 O ATOM 1579 CG2 THR B 34 -1.541 18.123 17.808 1.00 0.00 C ATOM 0 H THR B 34 2.521 17.317 16.861 1.00 0.00 H new ATOM 0 HA THR B 34 0.508 16.617 18.909 1.00 0.00 H new ATOM 0 HB THR B 34 0.204 18.527 16.609 1.00 0.00 H new ATOM 0 HG1 THR B 34 -0.113 20.093 18.373 1.00 0.00 H new ATOM 0 HG21 THR B 34 -2.018 19.084 17.616 1.00 0.00 H new ATOM 0 HG22 THR B 34 -1.919 17.383 17.103 1.00 0.00 H new ATOM 0 HG23 THR B 34 -1.766 17.803 18.825 1.00 0.00 H new ATOM 1587 N THR B 35 -0.537 14.897 17.475 1.00 0.00 N ATOM 1588 CA THR B 35 -1.030 13.707 16.757 1.00 0.00 C ATOM 1589 C THR B 35 -2.384 13.907 16.062 1.00 0.00 C ATOM 1590 O THR B 35 -3.120 14.864 16.319 1.00 0.00 O ATOM 1591 CB THR B 35 -1.134 12.489 17.703 1.00 0.00 C ATOM 1592 OG1 THR B 35 -2.153 12.696 18.662 1.00 0.00 O ATOM 1593 CG2 THR B 35 0.167 12.167 18.437 1.00 0.00 C ATOM 0 H THR B 35 -0.857 14.935 18.443 1.00 0.00 H new ATOM 0 HA THR B 35 -0.289 13.527 15.978 1.00 0.00 H new ATOM 0 HB THR B 35 -1.367 11.639 17.061 1.00 0.00 H new ATOM 0 HG1 THR B 35 -1.906 13.443 19.246 1.00 0.00 H new ATOM 0 HG21 THR B 35 0.016 11.301 19.082 1.00 0.00 H new ATOM 0 HG22 THR B 35 0.950 11.947 17.711 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.464 13.023 19.043 1.00 0.00 H new ATOM 1601 N LEU B 36 -2.749 12.935 15.219 1.00 0.00 N ATOM 1602 CA LEU B 36 -4.059 12.759 14.570 1.00 0.00 C ATOM 1603 C LEU B 36 -5.248 12.681 15.551 1.00 0.00 C ATOM 1604 O LEU B 36 -6.386 12.968 15.178 1.00 0.00 O ATOM 1605 CB LEU B 36 -3.925 11.476 13.714 1.00 0.00 C ATOM 1606 CG LEU B 36 -5.185 10.973 12.988 1.00 0.00 C ATOM 1607 CD1 LEU B 36 -5.730 11.976 11.977 1.00 0.00 C ATOM 1608 CD2 LEU B 36 -4.854 9.689 12.227 1.00 0.00 C ATOM 0 H LEU B 36 -2.095 12.199 14.952 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.296 13.635 13.966 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -3.152 11.650 12.965 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.567 10.675 14.361 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.941 10.812 13.756 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.618 11.564 11.498 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.990 12.903 12.488 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -4.972 12.179 11.221 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -5.746 9.331 11.712 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.070 9.890 11.497 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -4.510 8.929 12.928 1.00 0.00 H new ATOM 1620 N PHE B 37 -4.989 12.331 16.812 1.00 0.00 N ATOM 1621 CA PHE B 37 -5.985 12.161 17.882 1.00 0.00 C ATOM 1622 C PHE B 37 -5.965 13.297 18.928 1.00 0.00 C ATOM 1623 O PHE B 37 -6.474 13.141 20.038 1.00 0.00 O ATOM 1624 CB PHE B 37 -5.825 10.751 18.474 1.00 0.00 C ATOM 1625 CG PHE B 37 -5.859 9.668 17.404 1.00 0.00 C ATOM 1626 CD1 PHE B 37 -7.074 9.330 16.785 1.00 0.00 C ATOM 1627 CD2 PHE B 37 -4.660 9.078 16.953 1.00 0.00 C ATOM 1628 CE1 PHE B 37 -7.094 8.427 15.704 1.00 0.00 C ATOM 1629 CE2 PHE B 37 -4.678 8.166 15.882 1.00 0.00 C ATOM 1630 CZ PHE B 37 -5.893 7.855 15.246 1.00 0.00 C ATOM 0 H PHE B 37 -4.038 12.149 17.134 1.00 0.00 H new ATOM 0 HA PHE B 37 -6.986 12.244 17.459 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -4.882 10.692 19.017 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -6.621 10.570 19.196 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -7.997 9.764 17.140 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -3.725 9.327 17.432 1.00 0.00 H new ATOM 0 HE1 PHE B 37 -8.030 8.174 15.228 1.00 0.00 H new ATOM 0 HE2 PHE B 37 -3.760 7.705 15.549 1.00 0.00 H new ATOM 0 HZ PHE B 37 -5.904 7.177 14.406 1.00 0.00 H new ATOM 1640 N ASP B 38 -5.381 14.448 18.567 1.00 0.00 N ATOM 1641 CA ASP B 38 -5.256 15.676 19.374 1.00 0.00 C ATOM 1642 C ASP B 38 -4.454 15.536 20.684 1.00 0.00 C ATOM 1643 O ASP B 38 -4.469 16.438 21.528 1.00 0.00 O ATOM 1644 CB ASP B 38 -6.635 16.344 19.585 1.00 0.00 C ATOM 1645 CG ASP B 38 -7.443 16.587 18.300 1.00 0.00 C ATOM 1646 OD1 ASP B 38 -6.845 16.851 17.229 1.00 0.00 O ATOM 1647 OD2 ASP B 38 -8.696 16.575 18.367 1.00 0.00 O1- ATOM 0 H ASP B 38 -4.956 14.556 17.646 1.00 0.00 H new ATOM 0 HA ASP B 38 -4.635 16.345 18.778 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -7.226 15.719 20.255 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -6.486 17.299 20.089 1.00 0.00 H new ATOM 1652 N GLU B 39 -3.713 14.440 20.865 1.00 0.00 N ATOM 1653 CA GLU B 39 -2.709 14.320 21.932 1.00 0.00 C ATOM 1654 C GLU B 39 -1.440 15.111 21.576 1.00 0.00 C ATOM 1655 O GLU B 39 -1.018 15.139 20.412 1.00 0.00 O ATOM 1656 CB GLU B 39 -2.358 12.847 22.217 1.00 0.00 C ATOM 1657 CG GLU B 39 -3.551 11.968 22.632 1.00 0.00 C ATOM 1658 CD GLU B 39 -4.291 12.454 23.898 1.00 0.00 C ATOM 1659 OE1 GLU B 39 -3.681 13.105 24.786 1.00 0.00 O ATOM 1660 OE2 GLU B 39 -5.500 12.134 24.052 1.00 0.00 O1- ATOM 0 H GLU B 39 -3.790 13.610 20.278 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.143 14.742 22.838 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -1.901 12.418 21.325 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.608 12.813 23.007 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -4.260 11.925 21.805 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -3.196 10.951 22.801 1.00 0.00 H new ATOM 1667 N GLU B 40 -0.829 15.733 22.582 1.00 0.00 N ATOM 1668 CA GLU B 40 0.373 16.568 22.459 1.00 0.00 C ATOM 1669 C GLU B 40 1.523 16.047 23.340 1.00 0.00 C ATOM 1670 O GLU B 40 1.304 15.602 24.471 1.00 0.00 O ATOM 1671 CB GLU B 40 0.020 18.029 22.785 1.00 0.00 C ATOM 1672 CG GLU B 40 1.188 19.003 22.570 1.00 0.00 C ATOM 1673 CD GLU B 40 0.812 20.484 22.798 1.00 0.00 C ATOM 1674 OE1 GLU B 40 1.726 21.341 22.714 1.00 0.00 O ATOM 1675 OE2 GLU B 40 -0.366 20.829 23.066 1.00 0.00 O1- ATOM 0 H GLU B 40 -1.167 15.670 23.542 1.00 0.00 H new ATOM 0 HA GLU B 40 0.730 16.517 21.430 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -0.820 18.339 22.164 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -0.310 18.092 23.822 1.00 0.00 H new ATOM 0 HG2 GLU B 40 2.001 18.736 23.245 1.00 0.00 H new ATOM 0 HG3 GLU B 40 1.565 18.885 21.554 1.00 0.00 H new ATOM 1682 N HIS B 41 2.756 16.146 22.837 1.00 0.00 N ATOM 1683 CA HIS B 41 4.006 15.791 23.520 1.00 0.00 C ATOM 1684 C HIS B 41 5.012 16.947 23.406 1.00 0.00 C ATOM 1685 O HIS B 41 4.985 17.686 22.418 1.00 0.00 O ATOM 1686 CB HIS B 41 4.591 14.506 22.910 1.00 0.00 C ATOM 1687 CG HIS B 41 3.609 13.360 22.788 1.00 0.00 C ATOM 1688 ND1 HIS B 41 3.381 12.377 23.757 1.00 0.00 N ATOM 1689 CD2 HIS B 41 2.795 13.123 21.717 1.00 0.00 C ATOM 1690 CE1 HIS B 41 2.433 11.571 23.249 1.00 0.00 C ATOM 1691 NE2 HIS B 41 2.059 12.000 22.027 1.00 0.00 N ATOM 0 H HIS B 41 2.920 16.494 21.892 1.00 0.00 H new ATOM 0 HA HIS B 41 3.799 15.612 24.575 1.00 0.00 H new ATOM 0 HB2 HIS B 41 4.985 14.736 21.920 1.00 0.00 H new ATOM 0 HB3 HIS B 41 5.434 14.181 23.520 1.00 0.00 H new ATOM 0 HD2 HIS B 41 2.739 13.702 20.807 1.00 0.00 H new ATOM 0 HE1 HIS B 41 2.028 10.703 23.749 1.00 0.00 H new ATOM 0 HE2 HIS B 41 1.352 11.567 21.433 1.00 0.00 H new ATOM 1699 N ALA B 42 5.914 17.097 24.375 1.00 0.00 N ATOM 1700 CA ALA B 42 6.945 18.139 24.371 1.00 0.00 C ATOM 1701 C ALA B 42 8.288 17.665 24.958 1.00 0.00 C ATOM 1702 O ALA B 42 8.326 16.825 25.863 1.00 0.00 O ATOM 1703 CB ALA B 42 6.409 19.382 25.099 1.00 0.00 C ATOM 0 H ALA B 42 5.951 16.492 25.195 1.00 0.00 H new ATOM 0 HA ALA B 42 7.163 18.393 23.334 1.00 0.00 H new ATOM 0 HB1 ALA B 42 7.172 20.161 25.099 1.00 0.00 H new ATOM 0 HB2 ALA B 42 5.518 19.747 24.588 1.00 0.00 H new ATOM 0 HB3 ALA B 42 6.157 19.121 26.127 1.00 0.00 H new ATOM 1709 N PHE B 43 9.385 18.223 24.436 1.00 0.00 N ATOM 1710 CA PHE B 43 10.766 17.803 24.696 1.00 0.00 C ATOM 1711 C PHE B 43 11.693 19.023 24.859 1.00 0.00 C ATOM 1712 O PHE B 43 12.040 19.659 23.851 1.00 0.00 O ATOM 1713 CB PHE B 43 11.242 16.901 23.541 1.00 0.00 C ATOM 1714 CG PHE B 43 10.384 15.670 23.309 1.00 0.00 C ATOM 1715 CD1 PHE B 43 9.328 15.701 22.375 1.00 0.00 C ATOM 1716 CD2 PHE B 43 10.632 14.500 24.047 1.00 0.00 C ATOM 1717 CE1 PHE B 43 8.514 14.569 22.196 1.00 0.00 C ATOM 1718 CE2 PHE B 43 9.828 13.365 23.854 1.00 0.00 C ATOM 1719 CZ PHE B 43 8.767 13.403 22.934 1.00 0.00 C ATOM 0 H PHE B 43 9.333 19.013 23.793 1.00 0.00 H new ATOM 0 HA PHE B 43 10.801 17.242 25.630 1.00 0.00 H new ATOM 0 HB2 PHE B 43 11.267 17.489 22.624 1.00 0.00 H new ATOM 0 HB3 PHE B 43 12.265 16.583 23.743 1.00 0.00 H new ATOM 0 HD1 PHE B 43 9.145 16.595 21.797 1.00 0.00 H new ATOM 0 HD2 PHE B 43 11.441 14.474 24.762 1.00 0.00 H new ATOM 0 HE1 PHE B 43 7.696 14.597 21.492 1.00 0.00 H new ATOM 0 HE2 PHE B 43 10.025 12.462 24.413 1.00 0.00 H new ATOM 0 HZ PHE B 43 8.144 12.532 22.794 1.00 0.00 H new ATOM 1729 N PRO B 44 12.093 19.404 26.088 1.00 0.00 N ATOM 1730 CA PRO B 44 12.978 20.545 26.323 1.00 0.00 C ATOM 1731 C PRO B 44 14.409 20.288 25.825 1.00 0.00 C ATOM 1732 O PRO B 44 14.928 19.173 25.904 1.00 0.00 O ATOM 1733 CB PRO B 44 12.926 20.800 27.833 1.00 0.00 C ATOM 1734 CG PRO B 44 12.622 19.424 28.419 1.00 0.00 C ATOM 1735 CD PRO B 44 11.715 18.791 27.360 1.00 0.00 C ATOM 0 HA PRO B 44 12.650 21.420 25.762 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.871 21.195 28.206 1.00 0.00 H new ATOM 0 HB3 PRO B 44 12.154 21.525 28.091 1.00 0.00 H new ATOM 0 HG2 PRO B 44 13.530 18.841 28.573 1.00 0.00 H new ATOM 0 HG3 PRO B 44 12.123 19.498 29.385 1.00 0.00 H new ATOM 0 HD2 PRO B 44 11.849 17.710 27.327 1.00 0.00 H new ATOM 0 HD3 PRO B 44 10.665 18.975 27.585 1.00 0.00 H new ATOM 1743 N GLY B 45 15.060 21.340 25.324 1.00 0.00 N ATOM 1744 CA GLY B 45 16.452 21.322 24.858 1.00 0.00 C ATOM 1745 C GLY B 45 16.687 20.675 23.488 1.00 0.00 C ATOM 1746 O GLY B 45 17.836 20.566 23.060 1.00 0.00 O ATOM 0 H GLY B 45 14.622 22.256 25.228 1.00 0.00 H new ATOM 0 HA2 GLY B 45 16.817 22.349 24.822 1.00 0.00 H new ATOM 0 HA3 GLY B 45 17.056 20.795 25.596 1.00 0.00 H new ATOM 1750 N LEU B 46 15.629 20.238 22.791 1.00 0.00 N ATOM 1751 CA LEU B 46 15.704 19.763 21.405 1.00 0.00 C ATOM 1752 C LEU B 46 15.342 20.859 20.386 1.00 0.00 C ATOM 1753 O LEU B 46 14.713 21.870 20.715 1.00 0.00 O ATOM 1754 CB LEU B 46 14.829 18.502 21.211 1.00 0.00 C ATOM 1755 CG LEU B 46 15.207 17.287 22.085 1.00 0.00 C ATOM 1756 CD1 LEU B 46 14.376 16.077 21.649 1.00 0.00 C ATOM 1757 CD2 LEU B 46 16.679 16.881 21.972 1.00 0.00 C ATOM 0 H LEU B 46 14.687 20.205 23.180 1.00 0.00 H new ATOM 0 HA LEU B 46 16.743 19.494 21.213 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.792 18.766 21.417 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.880 18.204 20.164 1.00 0.00 H new ATOM 0 HG LEU B 46 15.013 17.586 23.115 1.00 0.00 H new ATOM 0 HD11 LEU B 46 14.638 15.215 22.263 1.00 0.00 H new ATOM 0 HD12 LEU B 46 13.316 16.300 21.771 1.00 0.00 H new ATOM 0 HD13 LEU B 46 14.581 15.853 20.602 1.00 0.00 H new ATOM 0 HD21 LEU B 46 16.870 16.021 22.614 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.906 16.620 20.938 1.00 0.00 H new ATOM 0 HD23 LEU B 46 17.311 17.713 22.283 1.00 0.00 H new ATOM 1769 N ALA B 47 15.713 20.610 19.132 1.00 0.00 N ATOM 1770 CA ALA B 47 15.310 21.327 17.923 1.00 0.00 C ATOM 1771 C ALA B 47 15.016 20.316 16.791 1.00 0.00 C ATOM 1772 O ALA B 47 15.462 19.166 16.841 1.00 0.00 O ATOM 1773 CB ALA B 47 16.418 22.315 17.542 1.00 0.00 C ATOM 0 H ALA B 47 16.351 19.844 18.918 1.00 0.00 H new ATOM 0 HA ALA B 47 14.395 21.893 18.097 1.00 0.00 H new ATOM 0 HB1 ALA B 47 16.129 22.856 16.641 1.00 0.00 H new ATOM 0 HB2 ALA B 47 16.571 23.022 18.357 1.00 0.00 H new ATOM 0 HB3 ALA B 47 17.344 21.770 17.357 1.00 0.00 H new ATOM 1779 N ILE B 48 14.274 20.729 15.764 1.00 0.00 N ATOM 1780 CA ILE B 48 14.008 19.901 14.574 1.00 0.00 C ATOM 1781 C ILE B 48 15.283 19.852 13.711 1.00 0.00 C ATOM 1782 O ILE B 48 15.776 20.890 13.264 1.00 0.00 O ATOM 1783 CB ILE B 48 12.798 20.438 13.770 1.00 0.00 C ATOM 1784 CG1 ILE B 48 11.511 20.517 14.629 1.00 0.00 C ATOM 1785 CG2 ILE B 48 12.554 19.563 12.524 1.00 0.00 C ATOM 1786 CD1 ILE B 48 10.398 21.359 13.982 1.00 0.00 C ATOM 0 H ILE B 48 13.836 21.650 15.728 1.00 0.00 H new ATOM 0 HA ILE B 48 13.746 18.890 14.888 1.00 0.00 H new ATOM 0 HB ILE B 48 13.042 21.453 13.458 1.00 0.00 H new ATOM 0 HG12 ILE B 48 11.138 19.508 14.805 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.758 20.940 15.603 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.701 19.952 11.968 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.439 19.580 11.888 1.00 0.00 H new ATOM 0 HG23 ILE B 48 12.349 18.538 12.834 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.526 21.373 14.635 1.00 0.00 H new ATOM 0 HD12 ILE B 48 10.754 22.378 13.830 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.124 20.924 13.021 1.00 0.00 H new ATOM 1798 N GLY B 49 15.829 18.654 13.489 1.00 0.00 N ATOM 1799 CA GLY B 49 17.090 18.434 12.769 1.00 0.00 C ATOM 1800 C GLY B 49 16.931 18.051 11.293 1.00 0.00 C ATOM 1801 O GLY B 49 17.659 18.568 10.443 1.00 0.00 O ATOM 0 H GLY B 49 15.398 17.788 13.812 1.00 0.00 H new ATOM 0 HA2 GLY B 49 17.690 19.342 12.831 1.00 0.00 H new ATOM 0 HA3 GLY B 49 17.648 17.647 13.276 1.00 0.00 H new ATOM 1805 N ARG B 50 15.969 17.175 10.967 1.00 0.00 N ATOM 1806 CA ARG B 50 15.687 16.718 9.592 1.00 0.00 C ATOM 1807 C ARG B 50 14.213 16.360 9.396 1.00 0.00 C ATOM 1808 O ARG B 50 13.588 15.821 10.308 1.00 0.00 O ATOM 1809 CB ARG B 50 16.613 15.533 9.254 1.00 0.00 C ATOM 1810 CG ARG B 50 16.591 15.122 7.774 1.00 0.00 C ATOM 1811 CD ARG B 50 17.619 14.011 7.523 1.00 0.00 C ATOM 1812 NE ARG B 50 17.694 13.646 6.097 1.00 0.00 N ATOM 1813 CZ ARG B 50 18.488 12.739 5.558 1.00 0.00 C ATOM 1814 NH1 ARG B 50 19.293 11.993 6.272 1.00 0.00 N1+ ATOM 1815 NH2 ARG B 50 18.502 12.569 4.274 1.00 0.00 N ATOM 0 H ARG B 50 15.352 16.755 11.662 1.00 0.00 H new ATOM 0 HA ARG B 50 15.890 17.537 8.902 1.00 0.00 H new ATOM 0 HB2 ARG B 50 17.634 15.793 9.533 1.00 0.00 H new ATOM 0 HB3 ARG B 50 16.325 14.676 9.862 1.00 0.00 H new ATOM 0 HG2 ARG B 50 15.595 14.776 7.499 1.00 0.00 H new ATOM 0 HG3 ARG B 50 16.814 15.984 7.145 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.600 14.339 7.866 1.00 0.00 H new ATOM 0 HD3 ARG B 50 17.354 13.131 8.110 1.00 0.00 H new ATOM 0 HE ARG B 50 17.070 14.144 5.463 1.00 0.00 H new ATOM 0 HH11 ARG B 50 19.323 12.101 7.286 1.00 0.00 H new ATOM 0 HH12 ARG B 50 19.890 11.304 5.814 1.00 0.00 H new ATOM 0 HH21 ARG B 50 17.899 13.136 3.678 1.00 0.00 H new ATOM 0 HH22 ARG B 50 19.116 11.868 3.859 1.00 0.00 H new ATOM 1829 N VAL B 51 13.687 16.617 8.203 1.00 0.00 N ATOM 1830 CA VAL B 51 12.305 16.342 7.786 1.00 0.00 C ATOM 1831 C VAL B 51 12.327 15.668 6.412 1.00 0.00 C ATOM 1832 O VAL B 51 12.723 16.297 5.433 1.00 0.00 O ATOM 1833 CB VAL B 51 11.473 17.646 7.733 1.00 0.00 C ATOM 1834 CG1 VAL B 51 10.021 17.399 7.311 1.00 0.00 C ATOM 1835 CG2 VAL B 51 11.460 18.397 9.068 1.00 0.00 C ATOM 0 H VAL B 51 14.237 17.045 7.458 1.00 0.00 H new ATOM 0 HA VAL B 51 11.836 15.680 8.514 1.00 0.00 H new ATOM 0 HB VAL B 51 11.972 18.258 6.982 1.00 0.00 H new ATOM 0 HG11 VAL B 51 9.482 18.346 7.290 1.00 0.00 H new ATOM 0 HG12 VAL B 51 10.002 16.949 6.319 1.00 0.00 H new ATOM 0 HG13 VAL B 51 9.544 16.726 8.024 1.00 0.00 H new ATOM 0 HG21 VAL B 51 10.861 19.303 8.970 1.00 0.00 H new ATOM 0 HG22 VAL B 51 11.030 17.759 9.840 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.480 18.664 9.345 1.00 0.00 H new ATOM 1845 N ASP B 52 11.903 14.405 6.331 1.00 0.00 N ATOM 1846 CA ASP B 52 11.871 13.603 5.096 1.00 0.00 C ATOM 1847 C ASP B 52 10.425 13.371 4.634 1.00 0.00 C ATOM 1848 O ASP B 52 9.745 12.462 5.121 1.00 0.00 O ATOM 1849 CB ASP B 52 12.600 12.263 5.315 1.00 0.00 C ATOM 1850 CG ASP B 52 14.099 12.394 5.641 1.00 0.00 C ATOM 1851 OD1 ASP B 52 14.756 13.356 5.181 1.00 0.00 O ATOM 1852 OD2 ASP B 52 14.637 11.488 6.324 1.00 0.00 O1- ATOM 0 H ASP B 52 11.561 13.893 7.144 1.00 0.00 H new ATOM 0 HA ASP B 52 12.388 14.154 4.310 1.00 0.00 H new ATOM 0 HB2 ASP B 52 12.110 11.727 6.128 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.489 11.653 4.418 1.00 0.00 H new ATOM 1857 N LEU B 53 9.941 14.171 3.672 1.00 0.00 N ATOM 1858 CA LEU B 53 8.567 14.071 3.148 1.00 0.00 C ATOM 1859 C LEU B 53 8.353 12.776 2.344 1.00 0.00 C ATOM 1860 O LEU B 53 7.266 12.196 2.390 1.00 0.00 O ATOM 1861 CB LEU B 53 8.217 15.299 2.278 1.00 0.00 C ATOM 1862 CG LEU B 53 8.200 16.697 2.931 1.00 0.00 C ATOM 1863 CD1 LEU B 53 7.419 16.723 4.245 1.00 0.00 C ATOM 1864 CD2 LEU B 53 9.591 17.299 3.153 1.00 0.00 C ATOM 0 H LEU B 53 10.492 14.909 3.233 1.00 0.00 H new ATOM 0 HA LEU B 53 7.899 14.046 4.009 1.00 0.00 H new ATOM 0 HB2 LEU B 53 8.927 15.330 1.452 1.00 0.00 H new ATOM 0 HB3 LEU B 53 7.232 15.126 1.845 1.00 0.00 H new ATOM 0 HG LEU B 53 7.686 17.321 2.200 1.00 0.00 H new ATOM 0 HD11 LEU B 53 7.440 17.730 4.661 1.00 0.00 H new ATOM 0 HD12 LEU B 53 6.386 16.428 4.060 1.00 0.00 H new ATOM 0 HD13 LEU B 53 7.874 16.029 4.952 1.00 0.00 H new ATOM 0 HD21 LEU B 53 9.493 18.281 3.615 1.00 0.00 H new ATOM 0 HD22 LEU B 53 10.170 16.646 3.807 1.00 0.00 H new ATOM 0 HD23 LEU B 53 10.102 17.398 2.195 1.00 0.00 H new ATOM 1876 N ARG B 54 9.402 12.267 1.685 1.00 0.00 N ATOM 1877 CA ARG B 54 9.415 10.970 0.973 1.00 0.00 C ATOM 1878 C ARG B 54 9.230 9.733 1.869 1.00 0.00 C ATOM 1879 O ARG B 54 8.875 8.672 1.353 1.00 0.00 O ATOM 1880 CB ARG B 54 10.696 10.838 0.127 1.00 0.00 C ATOM 1881 CG ARG B 54 12.009 10.908 0.931 1.00 0.00 C ATOM 1882 CD ARG B 54 13.239 10.801 0.020 1.00 0.00 C ATOM 1883 NE ARG B 54 13.317 9.494 -0.661 1.00 0.00 N ATOM 1884 CZ ARG B 54 14.056 9.193 -1.716 1.00 0.00 C ATOM 1885 NH1 ARG B 54 14.849 10.057 -2.282 1.00 0.00 N1+ ATOM 1886 NH2 ARG B 54 14.016 7.996 -2.222 1.00 0.00 N ATOM 0 H ARG B 54 10.295 12.757 1.627 1.00 0.00 H new ATOM 0 HA ARG B 54 8.536 10.986 0.329 1.00 0.00 H new ATOM 0 HB2 ARG B 54 10.665 9.890 -0.410 1.00 0.00 H new ATOM 0 HB3 ARG B 54 10.703 11.629 -0.623 1.00 0.00 H new ATOM 0 HG2 ARG B 54 12.047 11.846 1.485 1.00 0.00 H new ATOM 0 HG3 ARG B 54 12.029 10.103 1.666 1.00 0.00 H new ATOM 0 HD2 ARG B 54 13.207 11.596 -0.725 1.00 0.00 H new ATOM 0 HD3 ARG B 54 14.142 10.955 0.612 1.00 0.00 H new ATOM 0 HE ARG B 54 12.741 8.744 -0.278 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.917 11.005 -1.913 1.00 0.00 H new ATOM 0 HH12 ARG B 54 15.403 9.785 -3.094 1.00 0.00 H new ATOM 0 HH21 ARG B 54 13.414 7.286 -1.805 1.00 0.00 H new ATOM 0 HH22 ARG B 54 14.587 7.767 -3.036 1.00 0.00 H new ATOM 1900 N SER B 55 9.452 9.867 3.180 1.00 0.00 N ATOM 1901 CA SER B 55 9.389 8.764 4.158 1.00 0.00 C ATOM 1902 C SER B 55 8.381 8.996 5.296 1.00 0.00 C ATOM 1903 O SER B 55 7.995 8.039 5.971 1.00 0.00 O ATOM 1904 CB SER B 55 10.779 8.510 4.763 1.00 0.00 C ATOM 1905 OG SER B 55 11.754 8.250 3.762 1.00 0.00 O ATOM 0 H SER B 55 9.686 10.764 3.606 1.00 0.00 H new ATOM 0 HA SER B 55 9.043 7.894 3.599 1.00 0.00 H new ATOM 0 HB2 SER B 55 11.083 9.377 5.350 1.00 0.00 H new ATOM 0 HB3 SER B 55 10.728 7.664 5.448 1.00 0.00 H new ATOM 0 HG SER B 55 12.624 8.095 4.185 1.00 0.00 H new ATOM 1911 N GLY B 56 7.956 10.242 5.523 1.00 0.00 N ATOM 1912 CA GLY B 56 7.125 10.625 6.668 1.00 0.00 C ATOM 1913 C GLY B 56 7.880 10.555 7.998 1.00 0.00 C ATOM 1914 O GLY B 56 7.345 10.038 8.978 1.00 0.00 O ATOM 0 H GLY B 56 8.183 11.024 4.908 1.00 0.00 H new ATOM 0 HA2 GLY B 56 6.754 11.639 6.519 1.00 0.00 H new ATOM 0 HA3 GLY B 56 6.255 9.971 6.715 1.00 0.00 H new ATOM 1918 N VAL B 57 9.137 11.016 8.037 1.00 0.00 N ATOM 1919 CA VAL B 57 10.024 10.932 9.218 1.00 0.00 C ATOM 1920 C VAL B 57 10.565 12.311 9.597 1.00 0.00 C ATOM 1921 O VAL B 57 11.033 13.064 8.738 1.00 0.00 O ATOM 1922 CB VAL B 57 11.173 9.922 9.005 1.00 0.00 C ATOM 1923 CG1 VAL B 57 12.094 9.823 10.233 1.00 0.00 C ATOM 1924 CG2 VAL B 57 10.640 8.513 8.711 1.00 0.00 C ATOM 0 H VAL B 57 9.580 11.467 7.237 1.00 0.00 H new ATOM 0 HA VAL B 57 9.422 10.564 10.049 1.00 0.00 H new ATOM 0 HB VAL B 57 11.737 10.298 8.152 1.00 0.00 H new ATOM 0 HG11 VAL B 57 12.886 9.101 10.036 1.00 0.00 H new ATOM 0 HG12 VAL B 57 12.535 10.799 10.437 1.00 0.00 H new ATOM 0 HG13 VAL B 57 11.514 9.499 11.097 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.477 7.830 8.567 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.033 8.171 9.549 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.031 8.536 7.808 1.00 0.00 H new ATOM 1934 N ILE B 58 10.524 12.630 10.897 1.00 0.00 N ATOM 1935 CA ILE B 58 11.048 13.870 11.483 1.00 0.00 C ATOM 1936 C ILE B 58 12.036 13.516 12.607 1.00 0.00 C ATOM 1937 O ILE B 58 11.659 12.904 13.605 1.00 0.00 O ATOM 1938 CB ILE B 58 9.890 14.778 11.955 1.00 0.00 C ATOM 1939 CG1 ILE B 58 9.041 15.235 10.747 1.00 0.00 C ATOM 1940 CG2 ILE B 58 10.431 15.998 12.723 1.00 0.00 C ATOM 1941 CD1 ILE B 58 7.715 15.904 11.110 1.00 0.00 C ATOM 0 H ILE B 58 10.111 12.010 11.594 1.00 0.00 H new ATOM 0 HA ILE B 58 11.594 14.443 10.733 1.00 0.00 H new ATOM 0 HB ILE B 58 9.257 14.203 12.631 1.00 0.00 H new ATOM 0 HG12 ILE B 58 9.630 15.930 10.149 1.00 0.00 H new ATOM 0 HG13 ILE B 58 8.834 14.369 10.118 1.00 0.00 H new ATOM 0 HG21 ILE B 58 9.599 16.623 13.046 1.00 0.00 H new ATOM 0 HG22 ILE B 58 10.990 15.660 13.595 1.00 0.00 H new ATOM 0 HG23 ILE B 58 11.088 16.576 12.072 1.00 0.00 H new ATOM 0 HD11 ILE B 58 7.190 16.190 10.198 1.00 0.00 H new ATOM 0 HD12 ILE B 58 7.100 15.207 11.680 1.00 0.00 H new ATOM 0 HD13 ILE B 58 7.908 16.792 11.711 1.00 0.00 H new ATOM 1953 N SER B 59 13.299 13.902 12.443 1.00 0.00 N ATOM 1954 CA SER B 59 14.389 13.624 13.389 1.00 0.00 C ATOM 1955 C SER B 59 14.739 14.863 14.217 1.00 0.00 C ATOM 1956 O SER B 59 14.933 15.946 13.656 1.00 0.00 O ATOM 1957 CB SER B 59 15.604 13.105 12.624 1.00 0.00 C ATOM 1958 OG SER B 59 16.630 12.719 13.515 1.00 0.00 O ATOM 0 H SER B 59 13.606 14.432 11.627 1.00 0.00 H new ATOM 0 HA SER B 59 14.060 12.858 14.091 1.00 0.00 H new ATOM 0 HB2 SER B 59 15.314 12.255 12.006 1.00 0.00 H new ATOM 0 HB3 SER B 59 15.973 13.878 11.950 1.00 0.00 H new ATOM 0 HG SER B 59 17.399 12.388 13.005 1.00 0.00 H new ATOM 1964 N LEU B 60 14.807 14.713 15.541 1.00 0.00 N ATOM 1965 CA LEU B 60 15.168 15.785 16.474 1.00 0.00 C ATOM 1966 C LEU B 60 16.641 15.704 16.911 1.00 0.00 C ATOM 1967 O LEU B 60 17.228 14.622 16.989 1.00 0.00 O ATOM 1968 CB LEU B 60 14.234 15.792 17.693 1.00 0.00 C ATOM 1969 CG LEU B 60 12.724 15.775 17.388 1.00 0.00 C ATOM 1970 CD1 LEU B 60 11.947 15.951 18.697 1.00 0.00 C ATOM 1971 CD2 LEU B 60 12.291 16.880 16.419 1.00 0.00 C ATOM 0 H LEU B 60 14.609 13.826 16.005 1.00 0.00 H new ATOM 0 HA LEU B 60 15.043 16.727 15.940 1.00 0.00 H new ATOM 0 HB2 LEU B 60 14.469 14.925 18.311 1.00 0.00 H new ATOM 0 HB3 LEU B 60 14.454 16.678 18.289 1.00 0.00 H new ATOM 0 HG LEU B 60 12.509 14.818 16.914 1.00 0.00 H new ATOM 0 HD11 LEU B 60 10.877 15.940 18.489 1.00 0.00 H new ATOM 0 HD12 LEU B 60 12.193 15.136 19.378 1.00 0.00 H new ATOM 0 HD13 LEU B 60 12.218 16.902 19.156 1.00 0.00 H new ATOM 0 HD21 LEU B 60 11.217 16.812 16.246 1.00 0.00 H new ATOM 0 HD22 LEU B 60 12.529 17.854 16.848 1.00 0.00 H new ATOM 0 HD23 LEU B 60 12.819 16.761 15.473 1.00 0.00 H new ATOM 1983 N ILE B 61 17.227 16.861 17.219 1.00 0.00 N ATOM 1984 CA ILE B 61 18.637 17.049 17.613 1.00 0.00 C ATOM 1985 C ILE B 61 18.764 17.991 18.816 1.00 0.00 C ATOM 1986 O ILE B 61 17.851 18.752 19.130 1.00 0.00 O ATOM 1987 CB ILE B 61 19.494 17.548 16.419 1.00 0.00 C ATOM 1988 CG1 ILE B 61 19.058 18.940 15.891 1.00 0.00 C ATOM 1989 CG2 ILE B 61 19.515 16.504 15.292 1.00 0.00 C ATOM 1990 CD1 ILE B 61 19.936 20.092 16.392 1.00 0.00 C ATOM 0 H ILE B 61 16.712 17.741 17.202 1.00 0.00 H new ATOM 0 HA ILE B 61 19.023 16.076 17.916 1.00 0.00 H new ATOM 0 HB ILE B 61 20.509 17.676 16.796 1.00 0.00 H new ATOM 0 HG12 ILE B 61 19.077 18.928 14.801 1.00 0.00 H new ATOM 0 HG13 ILE B 61 18.026 19.125 16.189 1.00 0.00 H new ATOM 0 HG21 ILE B 61 20.121 16.874 14.465 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.941 15.573 15.666 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.498 16.324 14.944 1.00 0.00 H new ATOM 0 HD11 ILE B 61 19.570 21.033 15.981 1.00 0.00 H new ATOM 0 HD12 ILE B 61 19.898 20.132 17.481 1.00 0.00 H new ATOM 0 HD13 ILE B 61 20.965 19.931 16.071 1.00 0.00 H new ATOM 2002 N GLU B 62 19.908 17.948 19.499 1.00 0.00 N ATOM 2003 CA GLU B 62 20.216 18.787 20.672 1.00 0.00 C ATOM 2004 C GLU B 62 20.432 20.260 20.275 1.00 0.00 C ATOM 2005 O GLU B 62 21.346 20.597 19.515 1.00 0.00 O ATOM 2006 CB GLU B 62 21.458 18.210 21.378 1.00 0.00 C ATOM 2007 CG GLU B 62 21.130 16.937 22.181 1.00 0.00 C ATOM 2008 CD GLU B 62 20.780 17.183 23.662 1.00 0.00 C ATOM 2009 OE1 GLU B 62 20.850 16.214 24.451 1.00 0.00 O ATOM 2010 OE2 GLU B 62 20.440 18.324 24.060 1.00 0.00 O1- ATOM 0 H GLU B 62 20.669 17.316 19.251 1.00 0.00 H new ATOM 0 HA GLU B 62 19.368 18.773 21.356 1.00 0.00 H new ATOM 0 HB2 GLU B 62 22.223 17.983 20.636 1.00 0.00 H new ATOM 0 HB3 GLU B 62 21.876 18.962 22.047 1.00 0.00 H new ATOM 0 HG2 GLU B 62 20.293 16.428 21.703 1.00 0.00 H new ATOM 0 HG3 GLU B 62 21.984 16.262 22.131 1.00 0.00 H new ATOM 2017 N GLU B 63 19.594 21.147 20.808 1.00 0.00 N ATOM 2018 CA GLU B 63 19.563 22.585 20.500 1.00 0.00 C ATOM 2019 C GLU B 63 20.892 23.309 20.812 1.00 0.00 C ATOM 2020 O GLU B 63 21.425 23.207 21.923 1.00 0.00 O ATOM 2021 CB GLU B 63 18.393 23.216 21.271 1.00 0.00 C ATOM 2022 CG GLU B 63 18.195 24.716 20.993 1.00 0.00 C ATOM 2023 CD GLU B 63 16.965 25.303 21.728 1.00 0.00 C ATOM 2024 OE1 GLU B 63 16.400 26.314 21.242 1.00 0.00 O ATOM 2025 OE2 GLU B 63 16.590 24.796 22.811 1.00 0.00 O1- ATOM 0 H GLU B 63 18.888 20.878 21.494 1.00 0.00 H new ATOM 0 HA GLU B 63 19.422 22.701 19.425 1.00 0.00 H new ATOM 0 HB2 GLU B 63 17.475 22.686 21.016 1.00 0.00 H new ATOM 0 HB3 GLU B 63 18.557 23.074 22.339 1.00 0.00 H new ATOM 0 HG2 GLU B 63 19.089 25.259 21.299 1.00 0.00 H new ATOM 0 HG3 GLU B 63 18.080 24.870 19.920 1.00 0.00 H new ATOM 2032 N GLN B 64 21.411 24.070 19.845 1.00 0.00 N ATOM 2033 CA GLN B 64 22.738 24.713 19.902 1.00 0.00 C ATOM 2034 C GLN B 64 22.736 26.143 20.483 1.00 0.00 C ATOM 2035 O GLN B 64 23.781 26.789 20.574 1.00 0.00 O ATOM 2036 CB GLN B 64 23.371 24.676 18.496 1.00 0.00 C ATOM 2037 CG GLN B 64 23.561 23.258 17.935 1.00 0.00 C ATOM 2038 CD GLN B 64 24.530 22.421 18.772 1.00 0.00 C ATOM 2039 OE1 GLN B 64 25.706 22.738 18.916 1.00 0.00 O ATOM 2040 NE2 GLN B 64 24.089 21.329 19.359 1.00 0.00 N ATOM 0 H GLN B 64 20.912 24.264 18.977 1.00 0.00 H new ATOM 0 HA GLN B 64 23.340 24.140 20.607 1.00 0.00 H new ATOM 0 HB2 GLN B 64 22.744 25.246 17.811 1.00 0.00 H new ATOM 0 HB3 GLN B 64 24.339 25.175 18.531 1.00 0.00 H new ATOM 0 HG2 GLN B 64 22.595 22.755 17.893 1.00 0.00 H new ATOM 0 HG3 GLN B 64 23.932 23.322 16.912 1.00 0.00 H new ATOM 0 HE21 GLN B 64 23.114 21.050 19.250 1.00 0.00 H new ATOM 0 HE22 GLN B 64 24.722 20.762 19.923 1.00 0.00 H new ATOM 2049 N ASN B 65 21.560 26.641 20.881 1.00 0.00 N ATOM 2050 CA ASN B 65 21.375 27.987 21.449 1.00 0.00 C ATOM 2051 C ASN B 65 21.848 28.115 22.918 1.00 0.00 C ATOM 2052 O ASN B 65 22.094 29.227 23.396 1.00 0.00 O ATOM 2053 CB ASN B 65 19.884 28.348 21.302 1.00 0.00 C ATOM 2054 CG ASN B 65 19.592 29.796 21.667 1.00 0.00 C ATOM 2055 OD1 ASN B 65 18.956 30.097 22.668 1.00 0.00 O ATOM 2056 ND2 ASN B 65 20.050 30.731 20.869 1.00 0.00 N ATOM 0 H ASN B 65 20.691 26.111 20.817 1.00 0.00 H new ATOM 0 HA ASN B 65 22.004 28.688 20.900 1.00 0.00 H new ATOM 0 HB2 ASN B 65 19.570 28.166 20.274 1.00 0.00 H new ATOM 0 HB3 ASN B 65 19.291 27.691 21.938 1.00 0.00 H new ATOM 0 HD21 ASN B 65 19.876 31.713 21.082 1.00 0.00 H new ATOM 0 HD22 ASN B 65 20.580 30.476 20.036 1.00 0.00 H new ATOM 2063 N ARG B 66 21.947 26.984 23.633 1.00 0.00 N ATOM 2064 CA ARG B 66 22.299 26.886 25.062 1.00 0.00 C ATOM 2065 C ARG B 66 23.764 27.233 25.353 1.00 0.00 C ATOM 2066 O ARG B 66 24.010 28.016 26.302 1.00 0.00 O ATOM 2067 CB ARG B 66 21.960 25.473 25.566 1.00 0.00 C ATOM 2068 CG ARG B 66 20.445 25.197 25.579 1.00 0.00 C ATOM 2069 CD ARG B 66 20.135 23.725 25.871 1.00 0.00 C ATOM 2070 NE ARG B 66 20.570 22.870 24.756 1.00 0.00 N ATOM 2071 CZ ARG B 66 20.560 21.555 24.694 1.00 0.00 C ATOM 2072 NH1 ARG B 66 21.027 20.975 23.645 1.00 0.00 N1+ ATOM 2073 NH2 ARG B 66 20.116 20.773 25.629 1.00 0.00 N ATOM 2074 OXT ARG B 66 24.662 26.726 24.645 1.00 0.00 O1- ATOM 0 H ARG B 66 21.777 26.070 23.214 1.00 0.00 H new ATOM 0 HA ARG B 66 21.709 27.630 25.598 1.00 0.00 H new ATOM 0 HB2 ARG B 66 22.454 24.737 24.932 1.00 0.00 H new ATOM 0 HB3 ARG B 66 22.358 25.345 26.573 1.00 0.00 H new ATOM 0 HG2 ARG B 66 19.968 25.825 26.332 1.00 0.00 H new ATOM 0 HG3 ARG B 66 20.017 25.474 24.615 1.00 0.00 H new ATOM 0 HD2 ARG B 66 20.637 23.418 26.788 1.00 0.00 H new ATOM 0 HD3 ARG B 66 19.065 23.600 26.036 1.00 0.00 H new ATOM 0 HE ARG B 66 20.922 23.355 23.931 1.00 0.00 H new ATOM 0 HH11 ARG B 66 21.398 21.533 22.876 1.00 0.00 H new ATOM 0 HH12 ARG B 66 21.026 19.957 23.582 1.00 0.00 H new ATOM 0 HH21 ARG B 66 19.739 21.170 26.490 1.00 0.00 H new ATOM 0 HH22 ARG B 66 20.143 19.761 25.503 1.00 0.00 H new TER 2088 ARG B 66