USER MOD reduce.3.24.130724 H: found=0, std=0, add=1054, rem=0, adj=18 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: B 5 LYS NZ :NH3+ 172:sc= 0.649 (180deg=0.639) USER MOD Set 1.2: B 55 SER OG : rot 180:sc= 0 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 168:sc= -0.0177 (180deg=-0.211) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -129:sc= 0.0895 (180deg=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= 0.0489 USER MOD Single : A 41 HIS : no HD1:sc= -0.057 X(o=-0.057,f=-0.0044) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -170:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.597 X(o=-0.6,f=-0.73) USER MOD Single : A 65 ASN : amide:sc= 0.0035 X(o=0.0035,f=0) USER MOD Single : B 0 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -172:sc= 0 (180deg=-0.0759) USER MOD Single : B 3 MET CE :methyl 178:sc= 0 (180deg=-0.00668) USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B -3 GLY N :NH3+ -124:sc= 0.102 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot 180:sc= 0.0794 USER MOD Single : B 41 HIS : no HD1:sc=-0.00248 X(o=-0.0025,f=0) USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 64 GLN : amide:sc= 0.959 K(o=0.96,f=-0.028) USER MOD Single : B 65 ASN : amide:sc= 0.199 K(o=0.2,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 2.160 7.908 -10.750 1.00 0.00 N ATOM 2 CA GLY A -3 2.438 9.137 -9.970 1.00 0.00 C ATOM 3 C GLY A -3 3.185 8.837 -8.670 1.00 0.00 C ATOM 4 O GLY A -3 3.748 7.745 -8.524 1.00 0.00 O ATOM 0 H1 GLY A -3 2.481 8.039 -11.730 1.00 0.00 H new ATOM 0 H2 GLY A -3 2.665 7.105 -10.324 1.00 0.00 H new ATOM 0 H3 GLY A -3 1.138 7.716 -10.743 1.00 0.00 H new ATOM 0 HA2 GLY A -3 3.028 9.825 -10.576 1.00 0.00 H new ATOM 0 HA3 GLY A -3 1.499 9.640 -9.740 1.00 0.00 H new ATOM 10 N PRO A -2 3.199 9.781 -7.706 1.00 0.00 N ATOM 11 CA PRO A -2 3.952 9.658 -6.448 1.00 0.00 C ATOM 12 C PRO A -2 3.508 8.522 -5.506 1.00 0.00 C ATOM 13 O PRO A -2 4.297 8.049 -4.685 1.00 0.00 O ATOM 14 CB PRO A -2 3.815 11.022 -5.756 1.00 0.00 C ATOM 15 CG PRO A -2 3.547 11.990 -6.905 1.00 0.00 C ATOM 16 CD PRO A -2 2.697 11.145 -7.847 1.00 0.00 C ATOM 0 HA PRO A -2 4.980 9.387 -6.687 1.00 0.00 H new ATOM 0 HB2 PRO A -2 2.999 11.023 -5.034 1.00 0.00 H new ATOM 0 HB3 PRO A -2 4.722 11.288 -5.213 1.00 0.00 H new ATOM 0 HG2 PRO A -2 3.019 12.883 -6.570 1.00 0.00 H new ATOM 0 HG3 PRO A -2 4.470 12.325 -7.379 1.00 0.00 H new ATOM 0 HD2 PRO A -2 1.641 11.204 -7.583 1.00 0.00 H new ATOM 0 HD3 PRO A -2 2.788 11.492 -8.876 1.00 0.00 H new ATOM 24 N GLY A -1 2.253 8.064 -5.601 1.00 0.00 N ATOM 25 CA GLY A -1 1.717 6.970 -4.781 1.00 0.00 C ATOM 26 C GLY A -1 1.704 7.306 -3.285 1.00 0.00 C ATOM 27 O GLY A -1 1.109 8.304 -2.871 1.00 0.00 O ATOM 0 H GLY A -1 1.573 8.448 -6.258 1.00 0.00 H new ATOM 0 HA2 GLY A -1 0.703 6.740 -5.107 1.00 0.00 H new ATOM 0 HA3 GLY A -1 2.315 6.073 -4.943 1.00 0.00 H new ATOM 31 N SER A 0 2.371 6.483 -2.471 1.00 0.00 N ATOM 32 CA SER A 0 2.473 6.658 -1.010 1.00 0.00 C ATOM 33 C SER A 0 3.409 7.791 -0.546 1.00 0.00 C ATOM 34 O SER A 0 3.394 8.147 0.631 1.00 0.00 O ATOM 35 CB SER A 0 2.926 5.335 -0.384 1.00 0.00 C ATOM 36 OG SER A 0 4.190 4.934 -0.902 1.00 0.00 O ATOM 0 H SER A 0 2.867 5.659 -2.811 1.00 0.00 H new ATOM 0 HA SER A 0 1.478 6.953 -0.675 1.00 0.00 H new ATOM 0 HB2 SER A 0 2.990 5.444 0.699 1.00 0.00 H new ATOM 0 HB3 SER A 0 2.185 4.561 -0.583 1.00 0.00 H new ATOM 0 HG SER A 0 4.460 4.088 -0.487 1.00 0.00 H new ATOM 42 N MET A 1 4.220 8.373 -1.442 1.00 0.00 N ATOM 43 CA MET A 1 5.100 9.515 -1.125 1.00 0.00 C ATOM 44 C MET A 1 4.326 10.788 -0.733 1.00 0.00 C ATOM 45 O MET A 1 3.190 11.016 -1.161 1.00 0.00 O ATOM 46 CB MET A 1 6.029 9.832 -2.306 1.00 0.00 C ATOM 47 CG MET A 1 7.067 8.733 -2.573 1.00 0.00 C ATOM 48 SD MET A 1 8.166 9.025 -3.999 1.00 0.00 S ATOM 49 CE MET A 1 8.991 10.563 -3.496 1.00 0.00 C ATOM 0 H MET A 1 4.286 8.066 -2.412 1.00 0.00 H new ATOM 0 HA MET A 1 5.686 9.207 -0.259 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.428 9.980 -3.203 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.546 10.771 -2.111 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.682 8.613 -1.681 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.542 7.791 -2.728 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.838 10.754 -4.155 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.286 11.392 -3.561 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.345 10.467 -2.470 1.00 0.00 H new ATOM 59 N CYS A 2 4.986 11.654 0.038 1.00 0.00 N ATOM 60 CA CYS A 2 4.524 12.984 0.440 1.00 0.00 C ATOM 61 C CYS A 2 5.638 14.028 0.180 1.00 0.00 C ATOM 62 O CYS A 2 6.822 13.690 0.101 1.00 0.00 O ATOM 63 CB CYS A 2 4.051 12.909 1.900 1.00 0.00 C ATOM 64 SG CYS A 2 3.660 14.476 2.733 1.00 0.00 S ATOM 0 H CYS A 2 5.906 11.435 0.419 1.00 0.00 H new ATOM 0 HA CYS A 2 3.673 13.315 -0.155 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.163 12.278 1.934 1.00 0.00 H new ATOM 0 HB3 CYS A 2 4.824 12.403 2.479 1.00 0.00 H new ATOM 69 N MET A 3 5.247 15.295 0.025 1.00 0.00 N ATOM 70 CA MET A 3 6.129 16.447 -0.217 1.00 0.00 C ATOM 71 C MET A 3 5.547 17.716 0.422 1.00 0.00 C ATOM 72 O MET A 3 4.347 17.772 0.718 1.00 0.00 O ATOM 73 CB MET A 3 6.358 16.616 -1.733 1.00 0.00 C ATOM 74 CG MET A 3 5.115 17.066 -2.507 1.00 0.00 C ATOM 75 SD MET A 3 5.353 17.054 -4.302 1.00 0.00 S ATOM 76 CE MET A 3 3.752 17.729 -4.824 1.00 0.00 C ATOM 0 H MET A 3 4.263 15.561 0.066 1.00 0.00 H new ATOM 0 HA MET A 3 7.097 16.269 0.252 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.154 17.344 -1.890 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.706 15.669 -2.145 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.280 16.413 -2.253 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.841 18.072 -2.190 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.721 17.793 -5.912 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.951 17.077 -4.476 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.620 18.724 -4.398 1.00 0.00 H new ATOM 86 N ALA A 4 6.385 18.734 0.635 1.00 0.00 N ATOM 87 CA ALA A 4 6.016 19.959 1.349 1.00 0.00 C ATOM 88 C ALA A 4 6.426 21.255 0.625 1.00 0.00 C ATOM 89 O ALA A 4 7.210 21.235 -0.327 1.00 0.00 O ATOM 90 CB ALA A 4 6.608 19.888 2.766 1.00 0.00 C ATOM 0 H ALA A 4 7.352 18.730 0.312 1.00 0.00 H new ATOM 0 HA ALA A 4 4.928 20.008 1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.345 20.792 3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.206 19.018 3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.693 19.804 2.703 1.00 0.00 H new ATOM 96 N LYS A 5 5.907 22.389 1.105 1.00 0.00 N ATOM 97 CA LYS A 5 6.344 23.752 0.769 1.00 0.00 C ATOM 98 C LYS A 5 7.112 24.381 1.940 1.00 0.00 C ATOM 99 O LYS A 5 6.538 24.586 3.010 1.00 0.00 O ATOM 100 CB LYS A 5 5.113 24.575 0.351 1.00 0.00 C ATOM 101 CG LYS A 5 5.439 26.061 0.137 1.00 0.00 C ATOM 102 CD LYS A 5 4.292 26.846 -0.516 1.00 0.00 C ATOM 103 CE LYS A 5 3.031 26.870 0.358 1.00 0.00 C ATOM 104 NZ LYS A 5 1.950 27.672 -0.264 1.00 0.00 N1+ ATOM 0 H LYS A 5 5.134 22.384 1.770 1.00 0.00 H new ATOM 0 HA LYS A 5 7.040 23.732 -0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.700 24.162 -0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.342 24.483 1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.680 26.515 1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.329 26.145 -0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.618 27.868 -0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.054 26.401 -1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.681 25.851 0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.274 27.283 1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.114 27.666 0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.276 28.651 -0.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.701 27.263 -1.187 1.00 0.00 H new ATOM 118 N VAL A 6 8.385 24.709 1.750 1.00 0.00 N ATOM 119 CA VAL A 6 9.153 25.531 2.703 1.00 0.00 C ATOM 120 C VAL A 6 8.801 27.009 2.520 1.00 0.00 C ATOM 121 O VAL A 6 8.653 27.458 1.381 1.00 0.00 O ATOM 122 CB VAL A 6 10.663 25.274 2.549 1.00 0.00 C ATOM 123 CG1 VAL A 6 11.517 26.264 3.350 1.00 0.00 C ATOM 124 CG2 VAL A 6 11.005 23.867 3.039 1.00 0.00 C ATOM 0 H VAL A 6 8.922 24.417 0.933 1.00 0.00 H new ATOM 0 HA VAL A 6 8.883 25.248 3.720 1.00 0.00 H new ATOM 0 HB VAL A 6 10.888 25.395 1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.573 26.035 3.204 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.315 27.279 3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.271 26.183 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.075 23.693 2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.730 23.771 4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.454 23.133 2.451 1.00 0.00 H new ATOM 134 N VAL A 7 8.702 27.774 3.612 1.00 0.00 N ATOM 135 CA VAL A 7 8.437 29.224 3.604 1.00 0.00 C ATOM 136 C VAL A 7 9.251 29.977 4.665 1.00 0.00 C ATOM 137 O VAL A 7 9.422 29.505 5.793 1.00 0.00 O ATOM 138 CB VAL A 7 6.917 29.500 3.694 1.00 0.00 C ATOM 139 CG1 VAL A 7 6.281 29.038 5.011 1.00 0.00 C ATOM 140 CG2 VAL A 7 6.592 30.986 3.495 1.00 0.00 C ATOM 0 H VAL A 7 8.806 27.395 4.553 1.00 0.00 H new ATOM 0 HA VAL A 7 8.781 29.622 2.649 1.00 0.00 H new ATOM 0 HB VAL A 7 6.488 28.910 2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.215 29.265 5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.422 27.963 5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.754 29.557 5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.515 31.135 3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.091 31.574 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.939 31.306 2.512 1.00 0.00 H new ATOM 150 N LEU A 8 9.751 31.156 4.286 1.00 0.00 N ATOM 151 CA LEU A 8 10.572 32.080 5.085 1.00 0.00 C ATOM 152 C LEU A 8 10.357 33.540 4.634 1.00 0.00 C ATOM 153 O LEU A 8 9.857 33.786 3.536 1.00 0.00 O ATOM 154 CB LEU A 8 12.054 31.645 4.979 1.00 0.00 C ATOM 155 CG LEU A 8 12.705 31.834 3.589 1.00 0.00 C ATOM 156 CD1 LEU A 8 13.551 33.107 3.511 1.00 0.00 C ATOM 157 CD2 LEU A 8 13.605 30.649 3.240 1.00 0.00 C ATOM 0 H LEU A 8 9.583 31.519 3.348 1.00 0.00 H new ATOM 0 HA LEU A 8 10.271 32.037 6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.633 32.207 5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.126 30.593 5.255 1.00 0.00 H new ATOM 0 HG LEU A 8 11.880 31.909 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.986 33.194 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.922 33.975 3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.348 33.060 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.050 30.807 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.394 30.560 3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.013 29.734 3.227 1.00 0.00 H new ATOM 169 N THR A 9 10.753 34.515 5.456 1.00 0.00 N ATOM 170 CA THR A 9 10.653 35.954 5.131 1.00 0.00 C ATOM 171 C THR A 9 11.921 36.718 5.524 1.00 0.00 C ATOM 172 O THR A 9 12.428 36.562 6.640 1.00 0.00 O ATOM 173 CB THR A 9 9.405 36.594 5.771 1.00 0.00 C ATOM 174 OG1 THR A 9 8.225 35.915 5.378 1.00 0.00 O ATOM 175 CG2 THR A 9 9.184 38.049 5.353 1.00 0.00 C ATOM 0 H THR A 9 11.156 34.334 6.375 1.00 0.00 H new ATOM 0 HA THR A 9 10.549 36.026 4.048 1.00 0.00 H new ATOM 0 HB THR A 9 9.591 36.531 6.843 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.448 36.339 5.798 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.289 38.436 5.841 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.046 38.647 5.649 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.060 38.102 4.271 1.00 0.00 H new ATOM 183 N LYS A 10 12.444 37.529 4.597 1.00 0.00 N ATOM 184 CA LYS A 10 13.650 38.358 4.763 1.00 0.00 C ATOM 185 C LYS A 10 13.429 39.549 5.708 1.00 0.00 C ATOM 186 O LYS A 10 12.303 40.017 5.890 1.00 0.00 O ATOM 187 CB LYS A 10 14.110 38.861 3.383 1.00 0.00 C ATOM 188 CG LYS A 10 14.646 37.725 2.491 1.00 0.00 C ATOM 189 CD LYS A 10 15.063 38.244 1.107 1.00 0.00 C ATOM 190 CE LYS A 10 13.856 38.514 0.205 1.00 0.00 C ATOM 191 NZ LYS A 10 14.283 38.932 -1.156 1.00 0.00 N1+ ATOM 0 H LYS A 10 12.024 37.632 3.673 1.00 0.00 H new ATOM 0 HA LYS A 10 14.418 37.734 5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.275 39.350 2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 10 14.888 39.613 3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.500 37.253 2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.880 36.958 2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.640 39.161 1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.716 37.514 0.629 1.00 0.00 H new ATOM 0 HE2 LYS A 10 13.242 37.616 0.136 1.00 0.00 H new ATOM 0 HE3 LYS A 10 13.234 39.292 0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 13.444 39.108 -1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 14.848 39.802 -1.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 14.856 38.179 -1.587 1.00 0.00 H new ATOM 205 N ALA A 11 14.522 40.102 6.237 1.00 0.00 N ATOM 206 CA ALA A 11 14.518 41.334 7.039 1.00 0.00 C ATOM 207 C ALA A 11 14.051 42.574 6.244 1.00 0.00 C ATOM 208 O ALA A 11 13.522 43.526 6.821 1.00 0.00 O ATOM 209 CB ALA A 11 15.929 41.528 7.609 1.00 0.00 C ATOM 0 H ALA A 11 15.453 39.702 6.120 1.00 0.00 H new ATOM 0 HA ALA A 11 13.792 41.228 7.845 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.957 42.437 8.210 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.191 40.673 8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 11 16.644 41.613 6.790 1.00 0.00 H new ATOM 215 N ASP A 12 14.195 42.553 4.912 1.00 0.00 N ATOM 216 CA ASP A 12 13.656 43.558 3.980 1.00 0.00 C ATOM 217 C ASP A 12 12.127 43.455 3.774 1.00 0.00 C ATOM 218 O ASP A 12 11.524 44.270 3.073 1.00 0.00 O ATOM 219 CB ASP A 12 14.409 43.426 2.640 1.00 0.00 C ATOM 220 CG ASP A 12 14.240 44.630 1.701 1.00 0.00 C ATOM 221 OD1 ASP A 12 14.219 44.420 0.463 1.00 0.00 O ATOM 222 OD2 ASP A 12 14.193 45.792 2.171 1.00 0.00 O1- ATOM 0 H ASP A 12 14.707 41.811 4.435 1.00 0.00 H new ATOM 0 HA ASP A 12 13.815 44.544 4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.470 43.286 2.845 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.062 42.529 2.128 1.00 0.00 H new ATOM 227 N GLY A 13 11.487 42.440 4.369 1.00 0.00 N ATOM 228 CA GLY A 13 10.053 42.144 4.249 1.00 0.00 C ATOM 229 C GLY A 13 9.688 41.239 3.065 1.00 0.00 C ATOM 230 O GLY A 13 8.499 41.009 2.828 1.00 0.00 O ATOM 0 H GLY A 13 11.973 41.776 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.714 41.670 5.170 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.508 43.083 4.154 1.00 0.00 H new ATOM 234 N GLY A 14 10.672 40.732 2.311 1.00 0.00 N ATOM 235 CA GLY A 14 10.436 39.877 1.144 1.00 0.00 C ATOM 236 C GLY A 14 10.213 38.409 1.529 1.00 0.00 C ATOM 237 O GLY A 14 11.136 37.744 2.005 1.00 0.00 O ATOM 0 H GLY A 14 11.660 40.906 2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.566 40.243 0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.288 39.947 0.468 1.00 0.00 H new ATOM 241 N ARG A 15 9.001 37.887 1.307 1.00 0.00 N ATOM 242 CA ARG A 15 8.655 36.469 1.506 1.00 0.00 C ATOM 243 C ARG A 15 9.228 35.593 0.384 1.00 0.00 C ATOM 244 O ARG A 15 9.224 35.992 -0.783 1.00 0.00 O ATOM 245 CB ARG A 15 7.130 36.326 1.642 1.00 0.00 C ATOM 246 CG ARG A 15 6.693 34.914 2.070 1.00 0.00 C ATOM 247 CD ARG A 15 5.200 34.845 2.411 1.00 0.00 C ATOM 248 NE ARG A 15 4.348 35.116 1.227 1.00 0.00 N ATOM 249 CZ ARG A 15 3.676 36.225 0.959 1.00 0.00 C ATOM 250 NH1 ARG A 15 3.672 37.259 1.758 1.00 0.00 N1+ ATOM 251 NH2 ARG A 15 2.991 36.330 -0.142 1.00 0.00 N ATOM 0 H ARG A 15 8.215 38.447 0.977 1.00 0.00 H new ATOM 0 HA ARG A 15 9.111 36.114 2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.767 37.049 2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.661 36.572 0.689 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.913 34.209 1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.276 34.603 2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.964 33.858 2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.973 35.568 3.195 1.00 0.00 H new ATOM 0 HE ARG A 15 4.271 34.364 0.543 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.202 37.232 2.629 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.139 38.093 1.510 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.969 35.555 -0.805 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.476 37.187 -0.342 1.00 0.00 H new ATOM 265 N VAL A 16 9.711 34.406 0.739 1.00 0.00 N ATOM 266 CA VAL A 16 10.328 33.412 -0.158 1.00 0.00 C ATOM 267 C VAL A 16 9.780 32.022 0.176 1.00 0.00 C ATOM 268 O VAL A 16 9.652 31.657 1.348 1.00 0.00 O ATOM 269 CB VAL A 16 11.868 33.452 -0.046 1.00 0.00 C ATOM 270 CG1 VAL A 16 12.551 32.382 -0.913 1.00 0.00 C ATOM 271 CG2 VAL A 16 12.457 34.814 -0.451 1.00 0.00 C ATOM 0 H VAL A 16 9.685 34.087 1.708 1.00 0.00 H new ATOM 0 HA VAL A 16 10.075 33.651 -1.191 1.00 0.00 H new ATOM 0 HB VAL A 16 12.067 33.260 1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 16 13.632 32.455 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 16 12.218 31.393 -0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.287 32.539 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.542 34.785 -0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.192 35.032 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 16 12.055 35.592 0.198 1.00 0.00 H new ATOM 281 N GLU A 17 9.453 31.229 -0.845 1.00 0.00 N ATOM 282 CA GLU A 17 8.962 29.854 -0.694 1.00 0.00 C ATOM 283 C GLU A 17 9.500 28.902 -1.772 1.00 0.00 C ATOM 284 O GLU A 17 9.856 29.329 -2.873 1.00 0.00 O ATOM 285 CB GLU A 17 7.423 29.832 -0.567 1.00 0.00 C ATOM 286 CG GLU A 17 6.625 30.526 -1.693 1.00 0.00 C ATOM 287 CD GLU A 17 6.649 29.796 -3.049 1.00 0.00 C ATOM 288 OE1 GLU A 17 6.692 30.477 -4.106 1.00 0.00 O ATOM 289 OE2 GLU A 17 6.573 28.543 -3.077 1.00 0.00 O1- ATOM 0 H GLU A 17 9.522 31.527 -1.818 1.00 0.00 H new ATOM 0 HA GLU A 17 9.365 29.463 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.101 28.792 -0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.153 30.300 0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.589 30.632 -1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.020 31.532 -1.831 1.00 0.00 H new ATOM 296 N ILE A 18 9.589 27.610 -1.431 1.00 0.00 N ATOM 297 CA ILE A 18 10.057 26.515 -2.297 1.00 0.00 C ATOM 298 C ILE A 18 9.057 25.353 -2.190 1.00 0.00 C ATOM 299 O ILE A 18 8.846 24.818 -1.099 1.00 0.00 O ATOM 300 CB ILE A 18 11.488 26.056 -1.915 1.00 0.00 C ATOM 301 CG1 ILE A 18 12.522 27.198 -2.037 1.00 0.00 C ATOM 302 CG2 ILE A 18 11.925 24.865 -2.789 1.00 0.00 C ATOM 303 CD1 ILE A 18 13.841 26.899 -1.324 1.00 0.00 C ATOM 0 H ILE A 18 9.325 27.282 -0.502 1.00 0.00 H new ATOM 0 HA ILE A 18 10.109 26.867 -3.327 1.00 0.00 H new ATOM 0 HB ILE A 18 11.453 25.749 -0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.722 27.386 -3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.094 28.112 -1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.932 24.557 -2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.236 24.033 -2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.917 25.161 -3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.521 27.741 -1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.653 26.739 -0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.291 26.003 -1.751 1.00 0.00 H new ATOM 315 N GLY A 19 8.449 24.960 -3.312 1.00 0.00 N ATOM 316 CA GLY A 19 7.546 23.805 -3.412 1.00 0.00 C ATOM 317 C GLY A 19 8.251 22.483 -3.755 1.00 0.00 C ATOM 318 O GLY A 19 9.449 22.445 -4.038 1.00 0.00 O ATOM 0 H GLY A 19 8.573 25.447 -4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.018 23.688 -2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.794 24.011 -4.173 1.00 0.00 H new ATOM 322 N ASP A 20 7.478 21.391 -3.764 1.00 0.00 N ATOM 323 CA ASP A 20 7.901 20.029 -4.153 1.00 0.00 C ATOM 324 C ASP A 20 9.093 19.482 -3.341 1.00 0.00 C ATOM 325 O ASP A 20 9.924 18.725 -3.855 1.00 0.00 O ATOM 326 CB ASP A 20 8.116 19.914 -5.680 1.00 0.00 C ATOM 327 CG ASP A 20 6.979 20.451 -6.570 1.00 0.00 C ATOM 328 OD1 ASP A 20 7.248 20.721 -7.766 1.00 0.00 O ATOM 329 OD2 ASP A 20 5.816 20.575 -6.117 1.00 0.00 O1- ATOM 0 H ASP A 20 6.496 21.428 -3.489 1.00 0.00 H new ATOM 0 HA ASP A 20 7.070 19.375 -3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.032 20.445 -5.938 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.276 18.864 -5.925 1.00 0.00 H new ATOM 334 N VAL A 21 9.214 19.894 -2.075 1.00 0.00 N ATOM 335 CA VAL A 21 10.333 19.542 -1.189 1.00 0.00 C ATOM 336 C VAL A 21 10.197 18.105 -0.679 1.00 0.00 C ATOM 337 O VAL A 21 9.180 17.763 -0.071 1.00 0.00 O ATOM 338 CB VAL A 21 10.446 20.540 -0.018 1.00 0.00 C ATOM 339 CG1 VAL A 21 11.572 20.174 0.951 1.00 0.00 C ATOM 340 CG2 VAL A 21 10.724 21.955 -0.546 1.00 0.00 C ATOM 0 H VAL A 21 8.523 20.495 -1.626 1.00 0.00 H new ATOM 0 HA VAL A 21 11.254 19.604 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 21 9.494 20.500 0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.611 20.906 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.386 19.184 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.523 20.170 0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.801 22.648 0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.659 21.957 -1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.909 22.266 -1.200 1.00 0.00 H new ATOM 350 N LEU A 22 11.232 17.283 -0.884 1.00 0.00 N ATOM 351 CA LEU A 22 11.321 15.914 -0.351 1.00 0.00 C ATOM 352 C LEU A 22 12.169 15.798 0.926 1.00 0.00 C ATOM 353 O LEU A 22 11.979 14.840 1.675 1.00 0.00 O ATOM 354 CB LEU A 22 11.822 14.939 -1.431 1.00 0.00 C ATOM 355 CG LEU A 22 10.856 14.679 -2.603 1.00 0.00 C ATOM 356 CD1 LEU A 22 11.392 13.505 -3.427 1.00 0.00 C ATOM 357 CD2 LEU A 22 9.428 14.318 -2.174 1.00 0.00 C ATOM 0 H LEU A 22 12.047 17.553 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 22 10.307 15.639 -0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.758 15.325 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.050 13.985 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 22 10.804 15.612 -3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.718 13.308 -4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.382 13.752 -3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.457 12.618 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.814 14.151 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.448 13.411 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.007 15.135 -1.588 1.00 0.00 H new ATOM 369 N GLU A 23 13.057 16.752 1.219 1.00 0.00 N ATOM 370 CA GLU A 23 13.758 16.815 2.508 1.00 0.00 C ATOM 371 C GLU A 23 14.187 18.237 2.914 1.00 0.00 C ATOM 372 O GLU A 23 14.455 19.091 2.064 1.00 0.00 O ATOM 373 CB GLU A 23 14.960 15.853 2.526 1.00 0.00 C ATOM 374 CG GLU A 23 16.047 16.183 1.496 1.00 0.00 C ATOM 375 CD GLU A 23 17.305 15.331 1.713 1.00 0.00 C ATOM 376 OE1 GLU A 23 18.310 15.864 2.245 1.00 0.00 O ATOM 377 OE2 GLU A 23 17.311 14.132 1.335 1.00 0.00 O1- ATOM 0 H GLU A 23 13.311 17.500 0.574 1.00 0.00 H new ATOM 0 HA GLU A 23 13.034 16.497 3.258 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.404 15.863 3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.602 14.839 2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.661 16.014 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.306 17.240 1.564 1.00 0.00 H new ATOM 384 N VAL A 24 14.303 18.460 4.228 1.00 0.00 N ATOM 385 CA VAL A 24 14.917 19.655 4.837 1.00 0.00 C ATOM 386 C VAL A 24 15.864 19.271 5.976 1.00 0.00 C ATOM 387 O VAL A 24 15.651 18.264 6.657 1.00 0.00 O ATOM 388 CB VAL A 24 13.889 20.689 5.348 1.00 0.00 C ATOM 389 CG1 VAL A 24 12.930 21.157 4.255 1.00 0.00 C ATOM 390 CG2 VAL A 24 13.046 20.207 6.534 1.00 0.00 C ATOM 0 H VAL A 24 13.963 17.795 4.923 1.00 0.00 H new ATOM 0 HA VAL A 24 15.479 20.131 4.033 1.00 0.00 H new ATOM 0 HB VAL A 24 14.515 21.517 5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.230 21.882 4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.497 21.621 3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.377 20.302 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.351 20.993 6.830 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.486 19.317 6.245 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.700 19.967 7.372 1.00 0.00 H new ATOM 400 N ARG A 25 16.885 20.097 6.210 1.00 0.00 N ATOM 401 CA ARG A 25 17.910 19.934 7.257 1.00 0.00 C ATOM 402 C ARG A 25 18.211 21.275 7.924 1.00 0.00 C ATOM 403 O ARG A 25 18.542 22.237 7.234 1.00 0.00 O ATOM 404 CB ARG A 25 19.187 19.341 6.632 1.00 0.00 C ATOM 405 CG ARG A 25 19.086 17.824 6.403 1.00 0.00 C ATOM 406 CD ARG A 25 20.237 17.300 5.540 1.00 0.00 C ATOM 407 NE ARG A 25 19.923 17.384 4.102 1.00 0.00 N ATOM 408 CZ ARG A 25 20.394 18.210 3.190 1.00 0.00 C ATOM 409 NH1 ARG A 25 21.254 19.163 3.394 1.00 0.00 N1+ ATOM 410 NH2 ARG A 25 19.983 18.086 1.973 1.00 0.00 N ATOM 0 H ARG A 25 17.032 20.938 5.652 1.00 0.00 H new ATOM 0 HA ARG A 25 17.537 19.254 8.023 1.00 0.00 H new ATOM 0 HB2 ARG A 25 19.385 19.836 5.681 1.00 0.00 H new ATOM 0 HB3 ARG A 25 20.036 19.550 7.283 1.00 0.00 H new ATOM 0 HG2 ARG A 25 19.090 17.310 7.364 1.00 0.00 H new ATOM 0 HG3 ARG A 25 18.136 17.592 5.921 1.00 0.00 H new ATOM 0 HD2 ARG A 25 21.139 17.874 5.749 1.00 0.00 H new ATOM 0 HD3 ARG A 25 20.449 16.265 5.806 1.00 0.00 H new ATOM 0 HE ARG A 25 19.242 16.704 3.764 1.00 0.00 H new ATOM 0 HH11 ARG A 25 21.626 19.323 4.330 1.00 0.00 H new ATOM 0 HH12 ARG A 25 21.557 19.751 2.618 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.307 17.360 1.734 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.334 18.714 1.250 1.00 0.00 H new ATOM 424 N ALA A 26 18.129 21.330 9.247 1.00 0.00 N ATOM 425 CA ALA A 26 18.643 22.426 10.061 1.00 0.00 C ATOM 426 C ALA A 26 20.073 22.080 10.519 1.00 0.00 C ATOM 427 O ALA A 26 20.286 21.195 11.356 1.00 0.00 O ATOM 428 CB ALA A 26 17.677 22.664 11.229 1.00 0.00 C ATOM 0 H ALA A 26 17.691 20.593 9.800 1.00 0.00 H new ATOM 0 HA ALA A 26 18.704 23.355 9.494 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.048 23.481 11.847 1.00 0.00 H new ATOM 0 HB2 ALA A 26 16.692 22.922 10.840 1.00 0.00 H new ATOM 0 HB3 ALA A 26 17.604 21.758 11.831 1.00 0.00 H new ATOM 434 N GLU A 27 21.062 22.740 9.927 1.00 0.00 N ATOM 435 CA GLU A 27 22.496 22.441 10.036 1.00 0.00 C ATOM 436 C GLU A 27 23.244 23.486 10.890 1.00 0.00 C ATOM 437 O GLU A 27 22.629 24.326 11.549 1.00 0.00 O ATOM 438 CB GLU A 27 23.088 22.314 8.617 1.00 0.00 C ATOM 439 CG GLU A 27 22.297 21.328 7.741 1.00 0.00 C ATOM 440 CD GLU A 27 22.985 20.979 6.412 1.00 0.00 C ATOM 441 OE1 GLU A 27 23.970 21.659 6.019 1.00 0.00 O ATOM 442 OE2 GLU A 27 22.519 20.037 5.724 1.00 0.00 O1- ATOM 0 H GLU A 27 20.881 23.543 9.324 1.00 0.00 H new ATOM 0 HA GLU A 27 22.624 21.493 10.559 1.00 0.00 H new ATOM 0 HB2 GLU A 27 23.097 23.294 8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 27 24.125 21.984 8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 27 22.132 20.410 8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 27 21.316 21.753 7.529 1.00 0.00 H new ATOM 449 N GLY A 28 24.581 23.441 10.897 1.00 0.00 N ATOM 450 CA GLY A 28 25.466 24.336 11.656 1.00 0.00 C ATOM 451 C GLY A 28 25.445 25.791 11.176 1.00 0.00 C ATOM 452 O GLY A 28 26.387 26.251 10.525 1.00 0.00 O ATOM 0 H GLY A 28 25.099 22.752 10.352 1.00 0.00 H new ATOM 0 HA2 GLY A 28 25.179 24.307 12.707 1.00 0.00 H new ATOM 0 HA3 GLY A 28 26.487 23.959 11.594 1.00 0.00 H new ATOM 456 N GLY A 29 24.381 26.524 11.509 1.00 0.00 N ATOM 457 CA GLY A 29 24.189 27.946 11.207 1.00 0.00 C ATOM 458 C GLY A 29 23.361 28.248 9.950 1.00 0.00 C ATOM 459 O GLY A 29 23.372 29.389 9.482 1.00 0.00 O ATOM 0 H GLY A 29 23.593 26.126 12.020 1.00 0.00 H new ATOM 0 HA2 GLY A 29 23.706 28.419 12.062 1.00 0.00 H new ATOM 0 HA3 GLY A 29 25.168 28.412 11.097 1.00 0.00 H new ATOM 463 N ALA A 30 22.670 27.256 9.372 1.00 0.00 N ATOM 464 CA ALA A 30 21.884 27.393 8.142 1.00 0.00 C ATOM 465 C ALA A 30 20.806 26.307 8.012 1.00 0.00 C ATOM 466 O ALA A 30 20.984 25.193 8.505 1.00 0.00 O ATOM 467 CB ALA A 30 22.832 27.317 6.932 1.00 0.00 C ATOM 0 H ALA A 30 22.643 26.312 9.758 1.00 0.00 H new ATOM 0 HA ALA A 30 21.374 28.356 8.178 1.00 0.00 H new ATOM 0 HB1 ALA A 30 22.256 27.418 6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.564 28.122 6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.348 26.357 6.934 1.00 0.00 H new ATOM 473 N VAL A 31 19.722 26.603 7.293 1.00 0.00 N ATOM 474 CA VAL A 31 18.765 25.592 6.804 1.00 0.00 C ATOM 475 C VAL A 31 19.060 25.234 5.347 1.00 0.00 C ATOM 476 O VAL A 31 19.365 26.116 4.539 1.00 0.00 O ATOM 477 CB VAL A 31 17.303 26.047 7.002 1.00 0.00 C ATOM 478 CG1 VAL A 31 16.283 25.107 6.343 1.00 0.00 C ATOM 479 CG2 VAL A 31 16.962 26.087 8.493 1.00 0.00 C ATOM 0 H VAL A 31 19.476 27.557 7.028 1.00 0.00 H new ATOM 0 HA VAL A 31 18.893 24.689 7.401 1.00 0.00 H new ATOM 0 HB VAL A 31 17.236 27.030 6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.275 25.483 6.519 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.471 25.061 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.378 24.109 6.771 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.929 26.409 8.621 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.088 25.093 8.922 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.626 26.788 8.999 1.00 0.00 H new ATOM 489 N ARG A 32 18.948 23.950 5.003 1.00 0.00 N ATOM 490 CA ARG A 32 19.021 23.428 3.632 1.00 0.00 C ATOM 491 C ARG A 32 17.758 22.658 3.248 1.00 0.00 C ATOM 492 O ARG A 32 17.094 22.071 4.104 1.00 0.00 O ATOM 493 CB ARG A 32 20.300 22.599 3.429 1.00 0.00 C ATOM 494 CG ARG A 32 21.540 23.510 3.396 1.00 0.00 C ATOM 495 CD ARG A 32 22.796 22.751 2.955 1.00 0.00 C ATOM 496 NE ARG A 32 23.895 23.674 2.603 1.00 0.00 N ATOM 497 CZ ARG A 32 24.844 24.169 3.383 1.00 0.00 C ATOM 498 NH1 ARG A 32 25.023 23.797 4.616 1.00 0.00 N1+ ATOM 499 NH2 ARG A 32 25.665 25.066 2.920 1.00 0.00 N ATOM 0 H ARG A 32 18.798 23.216 5.695 1.00 0.00 H new ATOM 0 HA ARG A 32 19.076 24.278 2.952 1.00 0.00 H new ATOM 0 HB2 ARG A 32 20.399 21.871 4.234 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.231 22.037 2.498 1.00 0.00 H new ATOM 0 HG2 ARG A 32 21.361 24.342 2.715 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.703 23.937 4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.120 22.087 3.756 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.559 22.122 2.097 1.00 0.00 H new ATOM 0 HE ARG A 32 23.927 23.970 1.627 1.00 0.00 H new ATOM 0 HH11 ARG A 32 24.415 23.089 5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 32 25.771 24.213 5.171 1.00 0.00 H new ATOM 0 HH21 ARG A 32 25.578 25.388 1.956 1.00 0.00 H new ATOM 0 HH22 ARG A 32 26.396 25.447 3.521 1.00 0.00 H new ATOM 513 N VAL A 33 17.416 22.691 1.963 1.00 0.00 N ATOM 514 CA VAL A 33 16.122 22.268 1.389 1.00 0.00 C ATOM 515 C VAL A 33 16.367 21.577 0.048 1.00 0.00 C ATOM 516 O VAL A 33 17.064 22.155 -0.783 1.00 0.00 O ATOM 517 CB VAL A 33 15.222 23.507 1.167 1.00 0.00 C ATOM 518 CG1 VAL A 33 13.868 23.140 0.549 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.967 24.310 2.450 1.00 0.00 C ATOM 0 H VAL A 33 18.061 23.030 1.249 1.00 0.00 H new ATOM 0 HA VAL A 33 15.629 21.579 2.075 1.00 0.00 H new ATOM 0 HB VAL A 33 15.786 24.130 0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.273 24.043 0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.027 22.661 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.340 22.454 1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.329 25.165 2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.474 23.674 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.916 24.662 2.853 1.00 0.00 H new ATOM 529 N THR A 34 15.792 20.394 -0.205 1.00 0.00 N ATOM 530 CA THR A 34 15.998 19.657 -1.472 1.00 0.00 C ATOM 531 C THR A 34 14.683 19.169 -2.094 1.00 0.00 C ATOM 532 O THR A 34 13.822 18.595 -1.420 1.00 0.00 O ATOM 533 CB THR A 34 16.989 18.491 -1.297 1.00 0.00 C ATOM 534 OG1 THR A 34 18.210 18.951 -0.753 1.00 0.00 O ATOM 535 CG2 THR A 34 17.337 17.794 -2.609 1.00 0.00 C ATOM 0 H THR A 34 15.175 19.919 0.453 1.00 0.00 H new ATOM 0 HA THR A 34 16.435 20.371 -2.170 1.00 0.00 H new ATOM 0 HB THR A 34 16.485 17.787 -0.635 1.00 0.00 H new ATOM 0 HG1 THR A 34 18.826 18.196 -0.647 1.00 0.00 H new ATOM 0 HG21 THR A 34 18.039 16.983 -2.415 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.430 17.389 -3.058 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.791 18.511 -3.293 1.00 0.00 H new ATOM 543 N THR A 35 14.525 19.405 -3.402 1.00 0.00 N ATOM 544 CA THR A 35 13.294 19.121 -4.167 1.00 0.00 C ATOM 545 C THR A 35 13.180 17.674 -4.672 1.00 0.00 C ATOM 546 O THR A 35 14.135 16.895 -4.639 1.00 0.00 O ATOM 547 CB THR A 35 13.158 20.084 -5.367 1.00 0.00 C ATOM 548 OG1 THR A 35 14.136 19.787 -6.342 1.00 0.00 O ATOM 549 CG2 THR A 35 13.282 21.557 -4.970 1.00 0.00 C ATOM 0 H THR A 35 15.265 19.809 -3.976 1.00 0.00 H new ATOM 0 HA THR A 35 12.482 19.273 -3.456 1.00 0.00 H new ATOM 0 HB THR A 35 12.156 19.934 -5.769 1.00 0.00 H new ATOM 0 HG1 THR A 35 14.040 20.402 -7.099 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.178 22.183 -5.856 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.499 21.808 -4.254 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.258 21.731 -4.516 1.00 0.00 H new ATOM 557 N LEU A 36 12.008 17.343 -5.225 1.00 0.00 N ATOM 558 CA LEU A 36 11.708 16.159 -6.033 1.00 0.00 C ATOM 559 C LEU A 36 12.703 15.918 -7.190 1.00 0.00 C ATOM 560 O LEU A 36 12.882 14.777 -7.623 1.00 0.00 O ATOM 561 CB LEU A 36 10.265 16.362 -6.546 1.00 0.00 C ATOM 562 CG LEU A 36 9.713 15.329 -7.544 1.00 0.00 C ATOM 563 CD1 LEU A 36 9.636 13.918 -6.954 1.00 0.00 C ATOM 564 CD2 LEU A 36 8.300 15.737 -7.961 1.00 0.00 C ATOM 0 H LEU A 36 11.188 17.938 -5.111 1.00 0.00 H new ATOM 0 HA LEU A 36 11.806 15.259 -5.426 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.601 16.383 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.210 17.345 -7.014 1.00 0.00 H new ATOM 0 HG LEU A 36 10.399 15.310 -8.391 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.240 13.232 -7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.633 13.593 -6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.981 13.923 -6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.905 15.008 -8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.658 15.774 -7.081 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.329 16.720 -8.431 1.00 0.00 H new ATOM 576 N PHE A 37 13.372 16.969 -7.672 1.00 0.00 N ATOM 577 CA PHE A 37 14.340 16.920 -8.779 1.00 0.00 C ATOM 578 C PHE A 37 15.804 17.018 -8.298 1.00 0.00 C ATOM 579 O PHE A 37 16.706 17.285 -9.096 1.00 0.00 O ATOM 580 CB PHE A 37 13.937 17.964 -9.834 1.00 0.00 C ATOM 581 CG PHE A 37 12.494 17.802 -10.276 1.00 0.00 C ATOM 582 CD1 PHE A 37 12.144 16.739 -11.131 1.00 0.00 C ATOM 583 CD2 PHE A 37 11.493 18.653 -9.769 1.00 0.00 C ATOM 584 CE1 PHE A 37 10.793 16.519 -11.460 1.00 0.00 C ATOM 585 CE2 PHE A 37 10.143 18.433 -10.100 1.00 0.00 C ATOM 586 CZ PHE A 37 9.789 17.362 -10.941 1.00 0.00 C ATOM 0 H PHE A 37 13.253 17.908 -7.293 1.00 0.00 H new ATOM 0 HA PHE A 37 14.304 15.941 -9.256 1.00 0.00 H new ATOM 0 HB2 PHE A 37 14.081 18.965 -9.426 1.00 0.00 H new ATOM 0 HB3 PHE A 37 14.593 17.875 -10.700 1.00 0.00 H new ATOM 0 HD1 PHE A 37 12.911 16.094 -11.534 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.762 19.477 -9.124 1.00 0.00 H new ATOM 0 HE1 PHE A 37 10.525 15.701 -12.112 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.378 19.087 -9.708 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.752 17.186 -11.188 1.00 0.00 H new ATOM 596 N ASP A 38 16.045 16.784 -7.003 1.00 0.00 N ATOM 597 CA ASP A 38 17.354 16.825 -6.330 1.00 0.00 C ATOM 598 C ASP A 38 18.074 18.195 -6.369 1.00 0.00 C ATOM 599 O ASP A 38 19.287 18.274 -6.149 1.00 0.00 O ATOM 600 CB ASP A 38 18.261 15.660 -6.767 1.00 0.00 C ATOM 601 CG ASP A 38 17.614 14.267 -6.674 1.00 0.00 C ATOM 602 OD1 ASP A 38 17.963 13.388 -7.499 1.00 0.00 O ATOM 603 OD2 ASP A 38 16.805 14.006 -5.750 1.00 0.00 O1- ATOM 0 H ASP A 38 15.291 16.547 -6.358 1.00 0.00 H new ATOM 0 HA ASP A 38 17.126 16.686 -5.273 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.576 15.830 -7.796 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.161 15.669 -6.152 1.00 0.00 H new ATOM 608 N GLU A 39 17.348 19.289 -6.637 1.00 0.00 N ATOM 609 CA GLU A 39 17.888 20.651 -6.552 1.00 0.00 C ATOM 610 C GLU A 39 17.940 21.106 -5.082 1.00 0.00 C ATOM 611 O GLU A 39 16.906 21.166 -4.409 1.00 0.00 O ATOM 612 CB GLU A 39 17.046 21.628 -7.395 1.00 0.00 C ATOM 613 CG GLU A 39 16.996 21.292 -8.895 1.00 0.00 C ATOM 614 CD GLU A 39 18.386 21.258 -9.570 1.00 0.00 C ATOM 615 OE1 GLU A 39 18.592 20.445 -10.503 1.00 0.00 O ATOM 616 OE2 GLU A 39 19.285 22.051 -9.197 1.00 0.00 O1- ATOM 0 H GLU A 39 16.368 19.253 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 39 18.901 20.649 -6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.029 21.642 -7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 39 17.448 22.634 -7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.515 20.323 -9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.373 22.028 -9.403 1.00 0.00 H new ATOM 623 N GLU A 40 19.139 21.409 -4.573 1.00 0.00 N ATOM 624 CA GLU A 40 19.348 21.880 -3.194 1.00 0.00 C ATOM 625 C GLU A 40 19.433 23.413 -3.094 1.00 0.00 C ATOM 626 O GLU A 40 20.061 24.068 -3.930 1.00 0.00 O ATOM 627 CB GLU A 40 20.583 21.197 -2.583 1.00 0.00 C ATOM 628 CG GLU A 40 20.747 21.494 -1.083 1.00 0.00 C ATOM 629 CD GLU A 40 21.743 20.538 -0.397 1.00 0.00 C ATOM 630 OE1 GLU A 40 22.812 20.224 -0.980 1.00 0.00 O ATOM 631 OE2 GLU A 40 21.479 20.111 0.751 1.00 0.00 O1- ATOM 0 H GLU A 40 20.003 21.334 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 40 18.471 21.596 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 40 20.506 20.120 -2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 40 21.476 21.528 -3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 40 21.087 22.521 -0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 40 19.777 21.416 -0.592 1.00 0.00 H new ATOM 638 N HIS A 41 18.832 23.971 -2.045 1.00 0.00 N ATOM 639 CA HIS A 41 18.825 25.394 -1.691 1.00 0.00 C ATOM 640 C HIS A 41 19.325 25.577 -0.250 1.00 0.00 C ATOM 641 O HIS A 41 19.151 24.677 0.579 1.00 0.00 O ATOM 642 CB HIS A 41 17.405 25.966 -1.852 1.00 0.00 C ATOM 643 CG HIS A 41 16.741 25.638 -3.172 1.00 0.00 C ATOM 644 ND1 HIS A 41 16.796 26.412 -4.334 1.00 0.00 N ATOM 645 CD2 HIS A 41 15.988 24.523 -3.416 1.00 0.00 C ATOM 646 CE1 HIS A 41 16.064 25.749 -5.246 1.00 0.00 C ATOM 647 NE2 HIS A 41 15.575 24.607 -4.724 1.00 0.00 N ATOM 0 H HIS A 41 18.304 23.410 -1.377 1.00 0.00 H new ATOM 0 HA HIS A 41 19.494 25.936 -2.360 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.781 25.588 -1.042 1.00 0.00 H new ATOM 0 HB3 HIS A 41 17.449 27.049 -1.741 1.00 0.00 H new ATOM 0 HD2 HIS A 41 15.762 23.731 -2.717 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.892 26.085 -6.258 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.998 23.923 -5.215 1.00 0.00 H new ATOM 655 N ALA A 42 19.933 26.724 0.058 1.00 0.00 N ATOM 656 CA ALA A 42 20.538 27.007 1.368 1.00 0.00 C ATOM 657 C ALA A 42 20.254 28.442 1.862 1.00 0.00 C ATOM 658 O ALA A 42 20.301 29.398 1.080 1.00 0.00 O ATOM 659 CB ALA A 42 22.041 26.718 1.299 1.00 0.00 C ATOM 0 H ALA A 42 20.022 27.496 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 42 20.076 26.350 2.106 1.00 0.00 H new ATOM 0 HB1 ALA A 42 22.496 26.926 2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 42 22.199 25.671 1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 42 22.499 27.352 0.539 1.00 0.00 H new ATOM 665 N PHE A 43 20.000 28.581 3.168 1.00 0.00 N ATOM 666 CA PHE A 43 19.622 29.837 3.828 1.00 0.00 C ATOM 667 C PHE A 43 20.334 29.985 5.186 1.00 0.00 C ATOM 668 O PHE A 43 19.948 29.310 6.152 1.00 0.00 O ATOM 669 CB PHE A 43 18.091 29.882 3.987 1.00 0.00 C ATOM 670 CG PHE A 43 17.332 29.821 2.680 1.00 0.00 C ATOM 671 CD1 PHE A 43 17.112 31.000 1.944 1.00 0.00 C ATOM 672 CD2 PHE A 43 16.889 28.582 2.170 1.00 0.00 C ATOM 673 CE1 PHE A 43 16.451 30.942 0.704 1.00 0.00 C ATOM 674 CE2 PHE A 43 16.245 28.516 0.923 1.00 0.00 C ATOM 675 CZ PHE A 43 16.028 29.698 0.194 1.00 0.00 C ATOM 0 H PHE A 43 20.054 27.796 3.817 1.00 0.00 H new ATOM 0 HA PHE A 43 19.938 30.678 3.211 1.00 0.00 H new ATOM 0 HB2 PHE A 43 17.777 29.049 4.616 1.00 0.00 H new ATOM 0 HB3 PHE A 43 17.818 30.798 4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 43 17.451 31.950 2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 43 17.046 27.679 2.742 1.00 0.00 H new ATOM 0 HE1 PHE A 43 16.268 31.848 0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 43 15.919 27.565 0.528 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.533 29.653 -0.765 1.00 0.00 H new ATOM 685 N PRO A 44 21.367 30.843 5.311 1.00 0.00 N ATOM 686 CA PRO A 44 22.086 31.049 6.565 1.00 0.00 C ATOM 687 C PRO A 44 21.250 31.809 7.607 1.00 0.00 C ATOM 688 O PRO A 44 20.412 32.653 7.270 1.00 0.00 O ATOM 689 CB PRO A 44 23.366 31.803 6.189 1.00 0.00 C ATOM 690 CG PRO A 44 22.946 32.599 4.954 1.00 0.00 C ATOM 691 CD PRO A 44 21.954 31.662 4.259 1.00 0.00 C ATOM 0 HA PRO A 44 22.312 30.097 7.045 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.701 32.456 6.995 1.00 0.00 H new ATOM 0 HB3 PRO A 44 24.187 31.120 5.969 1.00 0.00 H new ATOM 0 HG2 PRO A 44 22.483 33.548 5.224 1.00 0.00 H new ATOM 0 HG3 PRO A 44 23.798 32.831 4.315 1.00 0.00 H new ATOM 0 HD2 PRO A 44 21.186 32.229 3.732 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.458 31.042 3.518 1.00 0.00 H new ATOM 699 N GLY A 45 21.496 31.516 8.886 1.00 0.00 N ATOM 700 CA GLY A 45 20.881 32.198 10.036 1.00 0.00 C ATOM 701 C GLY A 45 19.433 31.802 10.341 1.00 0.00 C ATOM 702 O GLY A 45 18.783 32.459 11.157 1.00 0.00 O ATOM 0 H GLY A 45 22.145 30.779 9.162 1.00 0.00 H new ATOM 0 HA2 GLY A 45 21.487 32.000 10.920 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.916 33.273 9.860 1.00 0.00 H new ATOM 706 N LEU A 46 18.901 30.745 9.706 1.00 0.00 N ATOM 707 CA LEU A 46 17.570 30.190 9.977 1.00 0.00 C ATOM 708 C LEU A 46 17.640 28.869 10.763 1.00 0.00 C ATOM 709 O LEU A 46 18.671 28.192 10.797 1.00 0.00 O ATOM 710 CB LEU A 46 16.785 30.014 8.658 1.00 0.00 C ATOM 711 CG LEU A 46 16.560 31.296 7.829 1.00 0.00 C ATOM 712 CD1 LEU A 46 15.643 30.980 6.644 1.00 0.00 C ATOM 713 CD2 LEU A 46 15.895 32.427 8.622 1.00 0.00 C ATOM 0 H LEU A 46 19.399 30.242 8.972 1.00 0.00 H new ATOM 0 HA LEU A 46 17.038 30.901 10.609 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.314 29.292 8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.812 29.581 8.892 1.00 0.00 H new ATOM 0 HG LEU A 46 17.549 31.630 7.516 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.483 31.884 6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.107 30.218 6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.685 30.612 7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.767 33.297 7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.921 32.095 8.981 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.523 32.694 9.472 1.00 0.00 H new ATOM 725 N ALA A 47 16.499 28.499 11.342 1.00 0.00 N ATOM 726 CA ALA A 47 16.173 27.182 11.895 1.00 0.00 C ATOM 727 C ALA A 47 14.738 26.780 11.491 1.00 0.00 C ATOM 728 O ALA A 47 13.924 27.632 11.117 1.00 0.00 O ATOM 729 CB ALA A 47 16.369 27.217 13.418 1.00 0.00 C ATOM 0 H ALA A 47 15.724 29.154 11.445 1.00 0.00 H new ATOM 0 HA ALA A 47 16.840 26.421 11.489 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.129 26.240 13.838 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.406 27.465 13.646 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.712 27.971 13.852 1.00 0.00 H new ATOM 735 N ILE A 48 14.409 25.487 11.576 1.00 0.00 N ATOM 736 CA ILE A 48 13.047 24.994 11.327 1.00 0.00 C ATOM 737 C ILE A 48 12.177 25.311 12.551 1.00 0.00 C ATOM 738 O ILE A 48 12.454 24.830 13.656 1.00 0.00 O ATOM 739 CB ILE A 48 13.040 23.487 10.973 1.00 0.00 C ATOM 740 CG1 ILE A 48 13.836 23.202 9.675 1.00 0.00 C ATOM 741 CG2 ILE A 48 11.599 22.973 10.813 1.00 0.00 C ATOM 742 CD1 ILE A 48 14.269 21.730 9.554 1.00 0.00 C ATOM 0 H ILE A 48 15.075 24.754 11.818 1.00 0.00 H new ATOM 0 HA ILE A 48 12.629 25.502 10.458 1.00 0.00 H new ATOM 0 HB ILE A 48 13.523 22.961 11.797 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.224 23.468 8.813 1.00 0.00 H new ATOM 0 HG13 ILE A 48 14.720 23.840 9.648 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.617 21.912 10.564 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.055 23.118 11.747 1.00 0.00 H new ATOM 0 HG23 ILE A 48 11.103 23.524 10.015 1.00 0.00 H new ATOM 0 HD11 ILE A 48 14.823 21.589 8.626 1.00 0.00 H new ATOM 0 HD12 ILE A 48 14.905 21.467 10.399 1.00 0.00 H new ATOM 0 HD13 ILE A 48 13.387 21.090 9.551 1.00 0.00 H new ATOM 754 N GLY A 49 11.126 26.115 12.363 1.00 0.00 N ATOM 755 CA GLY A 49 10.172 26.506 13.403 1.00 0.00 C ATOM 756 C GLY A 49 8.981 25.553 13.523 1.00 0.00 C ATOM 757 O GLY A 49 8.608 25.178 14.637 1.00 0.00 O ATOM 0 H GLY A 49 10.910 26.524 11.454 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.689 26.552 14.361 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.805 27.510 13.190 1.00 0.00 H new ATOM 761 N ARG A 50 8.418 25.112 12.385 1.00 0.00 N ATOM 762 CA ARG A 50 7.360 24.086 12.328 1.00 0.00 C ATOM 763 C ARG A 50 7.500 23.157 11.127 1.00 0.00 C ATOM 764 O ARG A 50 8.012 23.550 10.081 1.00 0.00 O ATOM 765 CB ARG A 50 5.944 24.690 12.276 1.00 0.00 C ATOM 766 CG ARG A 50 5.570 25.695 13.375 1.00 0.00 C ATOM 767 CD ARG A 50 4.047 25.920 13.422 1.00 0.00 C ATOM 768 NE ARG A 50 3.492 26.254 12.092 1.00 0.00 N ATOM 769 CZ ARG A 50 2.541 25.614 11.427 1.00 0.00 C ATOM 770 NH1 ARG A 50 1.863 24.609 11.900 1.00 0.00 N1+ ATOM 771 NH2 ARG A 50 2.249 25.980 10.216 1.00 0.00 N ATOM 0 H ARG A 50 8.688 25.462 11.466 1.00 0.00 H new ATOM 0 HA ARG A 50 7.490 23.522 13.251 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.822 25.183 11.312 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.226 23.871 12.308 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.917 25.329 14.341 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.076 26.643 13.193 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.560 25.022 13.802 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.821 26.725 14.121 1.00 0.00 H new ATOM 0 HE ARG A 50 3.888 27.074 11.632 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.051 24.265 12.842 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.144 24.165 11.329 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.750 26.755 9.783 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.518 25.492 9.698 1.00 0.00 H new ATOM 785 N VAL A 51 6.947 21.958 11.272 1.00 0.00 N ATOM 786 CA VAL A 51 6.722 20.972 10.204 1.00 0.00 C ATOM 787 C VAL A 51 5.265 20.532 10.300 1.00 0.00 C ATOM 788 O VAL A 51 4.875 19.974 11.322 1.00 0.00 O ATOM 789 CB VAL A 51 7.667 19.758 10.363 1.00 0.00 C ATOM 790 CG1 VAL A 51 7.460 18.713 9.260 1.00 0.00 C ATOM 791 CG2 VAL A 51 9.140 20.179 10.356 1.00 0.00 C ATOM 0 H VAL A 51 6.625 21.624 12.180 1.00 0.00 H new ATOM 0 HA VAL A 51 6.931 21.413 9.229 1.00 0.00 H new ATOM 0 HB VAL A 51 7.416 19.317 11.327 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.146 17.880 9.415 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.433 18.348 9.292 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.654 19.167 8.288 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.771 19.297 10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.373 20.672 9.412 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.326 20.867 11.181 1.00 0.00 H new ATOM 801 N ASP A 52 4.446 20.821 9.288 1.00 0.00 N ATOM 802 CA ASP A 52 2.987 20.656 9.326 1.00 0.00 C ATOM 803 C ASP A 52 2.502 19.906 8.079 1.00 0.00 C ATOM 804 O ASP A 52 2.336 20.486 7.006 1.00 0.00 O ATOM 805 CB ASP A 52 2.343 22.042 9.511 1.00 0.00 C ATOM 806 CG ASP A 52 0.819 22.038 9.688 1.00 0.00 C ATOM 807 OD1 ASP A 52 0.293 23.067 10.181 1.00 0.00 O ATOM 808 OD2 ASP A 52 0.132 21.050 9.343 1.00 0.00 O1- ATOM 0 H ASP A 52 4.784 21.185 8.397 1.00 0.00 H new ATOM 0 HA ASP A 52 2.682 20.040 10.172 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.792 22.520 10.382 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.590 22.658 8.646 1.00 0.00 H new ATOM 813 N LEU A 53 2.302 18.597 8.223 1.00 0.00 N ATOM 814 CA LEU A 53 1.975 17.665 7.143 1.00 0.00 C ATOM 815 C LEU A 53 0.483 17.713 6.770 1.00 0.00 C ATOM 816 O LEU A 53 0.110 17.434 5.627 1.00 0.00 O ATOM 817 CB LEU A 53 2.371 16.238 7.565 1.00 0.00 C ATOM 818 CG LEU A 53 3.840 15.975 7.959 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.842 16.589 6.980 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.193 16.420 9.382 1.00 0.00 C ATOM 0 H LEU A 53 2.366 18.137 9.131 1.00 0.00 H new ATOM 0 HA LEU A 53 2.537 17.962 6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.744 15.955 8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.121 15.567 6.744 1.00 0.00 H new ATOM 0 HG LEU A 53 3.923 14.889 7.917 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.857 16.369 7.312 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.686 16.167 5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.699 17.669 6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.242 16.201 9.582 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.021 17.492 9.481 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.568 15.884 10.096 1.00 0.00 H new ATOM 832 N ARG A 54 -0.362 18.136 7.718 1.00 0.00 N ATOM 833 CA ARG A 54 -1.781 18.460 7.515 1.00 0.00 C ATOM 834 C ARG A 54 -1.931 19.642 6.549 1.00 0.00 C ATOM 835 O ARG A 54 -2.730 19.584 5.616 1.00 0.00 O ATOM 836 CB ARG A 54 -2.387 18.714 8.911 1.00 0.00 C ATOM 837 CG ARG A 54 -3.703 19.514 8.975 1.00 0.00 C ATOM 838 CD ARG A 54 -3.937 20.065 10.391 1.00 0.00 C ATOM 839 NE ARG A 54 -2.889 21.050 10.746 1.00 0.00 N ATOM 840 CZ ARG A 54 -2.554 21.461 11.956 1.00 0.00 C ATOM 841 NH1 ARG A 54 -3.185 21.090 13.032 1.00 0.00 N1+ ATOM 842 NH2 ARG A 54 -1.552 22.269 12.105 1.00 0.00 N ATOM 0 H ARG A 54 -0.066 18.267 8.685 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.325 17.642 7.042 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.556 17.748 9.386 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.644 19.239 9.511 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.669 20.337 8.261 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.537 18.875 8.686 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.919 20.535 10.447 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.934 19.247 11.111 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.368 21.456 9.969 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.978 20.453 12.964 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.886 21.437 13.944 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.026 22.585 11.290 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.289 22.589 13.037 1.00 0.00 H new ATOM 856 N SER A 55 -1.140 20.698 6.753 1.00 0.00 N ATOM 857 CA SER A 55 -1.070 21.864 5.856 1.00 0.00 C ATOM 858 C SER A 55 -0.244 21.591 4.586 1.00 0.00 C ATOM 859 O SER A 55 -0.549 22.107 3.506 1.00 0.00 O ATOM 860 CB SER A 55 -0.483 23.050 6.633 1.00 0.00 C ATOM 861 OG SER A 55 -0.503 24.232 5.854 1.00 0.00 O ATOM 0 H SER A 55 -0.518 20.772 7.558 1.00 0.00 H new ATOM 0 HA SER A 55 -2.081 22.092 5.519 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.052 23.205 7.549 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.541 22.823 6.929 1.00 0.00 H new ATOM 0 HG SER A 55 -0.125 24.972 6.373 1.00 0.00 H new ATOM 867 N GLY A 56 0.794 20.751 4.697 1.00 0.00 N ATOM 868 CA GLY A 56 1.801 20.505 3.658 1.00 0.00 C ATOM 869 C GLY A 56 2.903 21.574 3.623 1.00 0.00 C ATOM 870 O GLY A 56 3.448 21.855 2.555 1.00 0.00 O ATOM 0 H GLY A 56 0.961 20.205 5.543 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.255 19.528 3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.310 20.466 2.686 1.00 0.00 H new ATOM 874 N VAL A 57 3.216 22.205 4.763 1.00 0.00 N ATOM 875 CA VAL A 57 4.076 23.400 4.869 1.00 0.00 C ATOM 876 C VAL A 57 5.122 23.256 5.982 1.00 0.00 C ATOM 877 O VAL A 57 4.863 22.678 7.037 1.00 0.00 O ATOM 878 CB VAL A 57 3.223 24.683 5.039 1.00 0.00 C ATOM 879 CG1 VAL A 57 4.058 25.953 5.249 1.00 0.00 C ATOM 880 CG2 VAL A 57 2.358 24.937 3.792 1.00 0.00 C ATOM 0 H VAL A 57 2.868 21.890 5.669 1.00 0.00 H new ATOM 0 HA VAL A 57 4.629 23.493 3.934 1.00 0.00 H new ATOM 0 HB VAL A 57 2.619 24.496 5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.394 26.811 5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.665 25.845 6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.709 26.107 4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.769 25.843 3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.002 25.058 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.689 24.091 3.634 1.00 0.00 H new ATOM 890 N ILE A 58 6.318 23.806 5.747 1.00 0.00 N ATOM 891 CA ILE A 58 7.432 23.884 6.700 1.00 0.00 C ATOM 892 C ILE A 58 7.787 25.360 6.936 1.00 0.00 C ATOM 893 O ILE A 58 8.283 26.043 6.033 1.00 0.00 O ATOM 894 CB ILE A 58 8.627 23.050 6.184 1.00 0.00 C ATOM 895 CG1 ILE A 58 8.255 21.548 6.183 1.00 0.00 C ATOM 896 CG2 ILE A 58 9.902 23.284 7.025 1.00 0.00 C ATOM 897 CD1 ILE A 58 9.263 20.649 5.468 1.00 0.00 C ATOM 0 H ILE A 58 6.547 24.228 4.847 1.00 0.00 H new ATOM 0 HA ILE A 58 7.148 23.457 7.662 1.00 0.00 H new ATOM 0 HB ILE A 58 8.845 23.374 5.167 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.153 21.211 7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.280 21.428 5.711 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.716 22.678 6.627 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.178 24.337 6.981 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.712 23.001 8.060 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.925 19.614 5.515 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.349 20.956 4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.235 20.735 5.953 1.00 0.00 H new ATOM 909 N SER A 59 7.499 25.858 8.139 1.00 0.00 N ATOM 910 CA SER A 59 7.750 27.245 8.558 1.00 0.00 C ATOM 911 C SER A 59 9.177 27.391 9.107 1.00 0.00 C ATOM 912 O SER A 59 9.520 26.747 10.099 1.00 0.00 O ATOM 913 CB SER A 59 6.752 27.666 9.651 1.00 0.00 C ATOM 914 OG SER A 59 5.395 27.466 9.270 1.00 0.00 O ATOM 0 H SER A 59 7.072 25.294 8.874 1.00 0.00 H new ATOM 0 HA SER A 59 7.627 27.886 7.685 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.956 27.100 10.560 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.906 28.718 9.890 1.00 0.00 H new ATOM 0 HG SER A 59 4.805 27.891 9.927 1.00 0.00 H new ATOM 920 N LEU A 60 10.007 28.248 8.500 1.00 0.00 N ATOM 921 CA LEU A 60 11.331 28.614 9.036 1.00 0.00 C ATOM 922 C LEU A 60 11.283 29.890 9.889 1.00 0.00 C ATOM 923 O LEU A 60 10.431 30.763 9.684 1.00 0.00 O ATOM 924 CB LEU A 60 12.362 28.754 7.904 1.00 0.00 C ATOM 925 CG LEU A 60 12.470 27.547 6.956 1.00 0.00 C ATOM 926 CD1 LEU A 60 13.647 27.771 6.004 1.00 0.00 C ATOM 927 CD2 LEU A 60 12.682 26.215 7.679 1.00 0.00 C ATOM 0 H LEU A 60 9.782 28.711 7.619 1.00 0.00 H new ATOM 0 HA LEU A 60 11.643 27.802 9.692 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.112 29.636 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.341 28.935 8.348 1.00 0.00 H new ATOM 0 HG LEU A 60 11.520 27.478 6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.734 26.921 5.327 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.480 28.680 5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.567 27.871 6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.749 25.410 6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.605 26.258 8.257 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.843 26.027 8.349 1.00 0.00 H new ATOM 939 N ILE A 61 12.221 30.006 10.835 1.00 0.00 N ATOM 940 CA ILE A 61 12.357 31.115 11.799 1.00 0.00 C ATOM 941 C ILE A 61 13.829 31.523 11.973 1.00 0.00 C ATOM 942 O ILE A 61 14.739 30.752 11.672 1.00 0.00 O ATOM 943 CB ILE A 61 11.718 30.768 13.169 1.00 0.00 C ATOM 944 CG1 ILE A 61 12.404 29.577 13.889 1.00 0.00 C ATOM 945 CG2 ILE A 61 10.209 30.501 13.007 1.00 0.00 C ATOM 946 CD1 ILE A 61 13.279 30.034 15.055 1.00 0.00 C ATOM 0 H ILE A 61 12.944 29.297 10.959 1.00 0.00 H new ATOM 0 HA ILE A 61 11.814 31.966 11.388 1.00 0.00 H new ATOM 0 HB ILE A 61 11.870 31.639 13.806 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.642 28.889 14.256 1.00 0.00 H new ATOM 0 HG13 ILE A 61 13.014 29.025 13.174 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.776 30.259 13.978 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.723 31.390 12.605 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.059 29.665 12.324 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.738 29.166 15.528 1.00 0.00 H new ATOM 0 HD12 ILE A 61 14.059 30.700 14.686 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.666 30.563 15.785 1.00 0.00 H new ATOM 958 N GLU A 62 14.072 32.739 12.453 1.00 0.00 N ATOM 959 CA GLU A 62 15.414 33.298 12.654 1.00 0.00 C ATOM 960 C GLU A 62 16.132 32.654 13.856 1.00 0.00 C ATOM 961 O GLU A 62 15.640 32.696 14.987 1.00 0.00 O ATOM 962 CB GLU A 62 15.356 34.829 12.830 1.00 0.00 C ATOM 963 CG GLU A 62 14.660 35.594 11.683 1.00 0.00 C ATOM 964 CD GLU A 62 13.164 35.893 11.931 1.00 0.00 C ATOM 965 OE1 GLU A 62 12.445 35.068 12.552 1.00 0.00 O ATOM 966 OE2 GLU A 62 12.691 36.972 11.495 1.00 0.00 O1- ATOM 0 H GLU A 62 13.327 33.382 12.721 1.00 0.00 H new ATOM 0 HA GLU A 62 15.990 33.068 11.757 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.837 35.053 13.762 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.373 35.206 12.933 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.184 36.536 11.520 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.755 35.014 10.765 1.00 0.00 H new ATOM 973 N GLU A 63 17.307 32.069 13.622 1.00 0.00 N ATOM 974 CA GLU A 63 18.170 31.476 14.653 1.00 0.00 C ATOM 975 C GLU A 63 18.945 32.544 15.458 1.00 0.00 C ATOM 976 O GLU A 63 19.272 33.616 14.936 1.00 0.00 O ATOM 977 CB GLU A 63 19.117 30.457 13.989 1.00 0.00 C ATOM 978 CG GLU A 63 19.866 29.571 14.996 1.00 0.00 C ATOM 979 CD GLU A 63 20.735 28.502 14.309 1.00 0.00 C ATOM 980 OE1 GLU A 63 20.765 27.343 14.796 1.00 0.00 O ATOM 981 OE2 GLU A 63 21.430 28.818 13.316 1.00 0.00 O1- ATOM 0 H GLU A 63 17.699 31.991 12.684 1.00 0.00 H new ATOM 0 HA GLU A 63 17.542 30.961 15.380 1.00 0.00 H new ATOM 0 HB2 GLU A 63 18.541 29.822 13.316 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.843 30.992 13.378 1.00 0.00 H new ATOM 0 HG2 GLU A 63 20.497 30.197 15.627 1.00 0.00 H new ATOM 0 HG3 GLU A 63 19.145 29.082 15.651 1.00 0.00 H new ATOM 988 N GLN A 64 19.267 32.247 16.719 1.00 0.00 N ATOM 989 CA GLN A 64 19.964 33.134 17.670 1.00 0.00 C ATOM 990 C GLN A 64 21.004 32.377 18.534 1.00 0.00 C ATOM 991 O GLN A 64 21.228 32.700 19.702 1.00 0.00 O ATOM 992 CB GLN A 64 18.938 33.954 18.484 1.00 0.00 C ATOM 993 CG GLN A 64 17.926 33.137 19.317 1.00 0.00 C ATOM 994 CD GLN A 64 16.848 32.486 18.453 1.00 0.00 C ATOM 995 OE1 GLN A 64 16.804 31.274 18.276 1.00 0.00 O ATOM 996 NE2 GLN A 64 16.004 33.265 17.804 1.00 0.00 N ATOM 0 H GLN A 64 19.041 31.341 17.130 1.00 0.00 H new ATOM 0 HA GLN A 64 20.561 33.851 17.106 1.00 0.00 H new ATOM 0 HB2 GLN A 64 19.483 34.615 19.158 1.00 0.00 H new ATOM 0 HB3 GLN A 64 18.382 34.590 17.795 1.00 0.00 H new ATOM 0 HG2 GLN A 64 18.457 32.364 19.873 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.454 33.790 20.051 1.00 0.00 H new ATOM 0 HE21 GLN A 64 16.032 34.275 17.944 1.00 0.00 H new ATOM 0 HE22 GLN A 64 15.324 32.857 17.163 1.00 0.00 H new ATOM 1005 N ASN A 65 21.631 31.340 17.965 1.00 0.00 N ATOM 1006 CA ASN A 65 22.698 30.549 18.598 1.00 0.00 C ATOM 1007 C ASN A 65 24.046 31.306 18.698 1.00 0.00 C ATOM 1008 O ASN A 65 24.833 31.034 19.610 1.00 0.00 O ATOM 1009 CB ASN A 65 22.850 29.236 17.804 1.00 0.00 C ATOM 1010 CG ASN A 65 23.821 28.271 18.466 1.00 0.00 C ATOM 1011 OD1 ASN A 65 24.968 28.127 18.058 1.00 0.00 O ATOM 1012 ND2 ASN A 65 23.406 27.602 19.519 1.00 0.00 N ATOM 0 H ASN A 65 21.405 31.017 17.024 1.00 0.00 H new ATOM 0 HA ASN A 65 22.413 30.344 19.630 1.00 0.00 H new ATOM 0 HB2 ASN A 65 21.875 28.758 17.707 1.00 0.00 H new ATOM 0 HB3 ASN A 65 23.196 29.462 16.795 1.00 0.00 H new ATOM 0 HD21 ASN A 65 24.039 26.962 19.998 1.00 0.00 H new ATOM 0 HD22 ASN A 65 22.451 27.723 19.857 1.00 0.00 H new ATOM 1019 N ARG A 66 24.305 32.237 17.773 1.00 0.00 N ATOM 1020 CA ARG A 66 25.560 33.011 17.628 1.00 0.00 C ATOM 1021 C ARG A 66 25.325 34.469 17.209 1.00 0.00 C ATOM 1022 O ARG A 66 26.165 35.326 17.564 1.00 0.00 O ATOM 1023 CB ARG A 66 26.506 32.264 16.670 1.00 0.00 C ATOM 1024 CG ARG A 66 26.027 32.219 15.206 1.00 0.00 C ATOM 1025 CD ARG A 66 26.951 31.369 14.321 1.00 0.00 C ATOM 1026 NE ARG A 66 28.279 31.991 14.146 1.00 0.00 N ATOM 1027 CZ ARG A 66 29.305 31.479 13.492 1.00 0.00 C ATOM 1028 NH1 ARG A 66 29.251 30.310 12.919 1.00 0.00 N1+ ATOM 1029 NH2 ARG A 66 30.418 32.140 13.401 1.00 0.00 N ATOM 1030 OXT ARG A 66 24.299 34.751 16.547 1.00 0.00 O1- ATOM 0 H ARG A 66 23.615 32.490 17.066 1.00 0.00 H new ATOM 0 HA ARG A 66 26.034 33.082 18.607 1.00 0.00 H new ATOM 0 HB2 ARG A 66 27.486 32.739 16.704 1.00 0.00 H new ATOM 0 HB3 ARG A 66 26.634 31.243 17.029 1.00 0.00 H new ATOM 0 HG2 ARG A 66 25.016 31.813 15.168 1.00 0.00 H new ATOM 0 HG3 ARG A 66 25.979 33.233 14.810 1.00 0.00 H new ATOM 0 HD2 ARG A 66 27.070 30.381 14.766 1.00 0.00 H new ATOM 0 HD3 ARG A 66 26.487 31.226 13.345 1.00 0.00 H new ATOM 0 HE ARG A 66 28.417 32.907 14.573 1.00 0.00 H new ATOM 0 HH11 ARG A 66 28.395 29.758 12.967 1.00 0.00 H new ATOM 0 HH12 ARG A 66 30.065 29.947 12.422 1.00 0.00 H new ATOM 0 HH21 ARG A 66 30.502 33.059 13.836 1.00 0.00 H new ATOM 0 HH22 ARG A 66 31.208 31.741 12.895 1.00 0.00 H new TER 1044 ARG A 66 ATOM 1045 N GLY B -3 -7.581 9.312 -0.703 1.00 0.00 N ATOM 1046 CA GLY B -3 -6.343 8.940 -1.422 1.00 0.00 C ATOM 1047 C GLY B -3 -5.239 9.975 -1.260 1.00 0.00 C ATOM 1048 O GLY B -3 -5.397 10.928 -0.488 1.00 0.00 O ATOM 0 H1 GLY B -3 -7.844 8.549 -0.047 1.00 0.00 H new ATOM 0 H2 GLY B -3 -7.421 10.189 -0.168 1.00 0.00 H new ATOM 0 H3 GLY B -3 -8.349 9.459 -1.388 1.00 0.00 H new ATOM 0 HA2 GLY B -3 -5.989 7.977 -1.055 1.00 0.00 H new ATOM 0 HA3 GLY B -3 -6.566 8.815 -2.482 1.00 0.00 H new ATOM 1054 N PRO B -2 -4.112 9.820 -1.985 1.00 0.00 N ATOM 1055 CA PRO B -2 -2.945 10.701 -1.893 1.00 0.00 C ATOM 1056 C PRO B -2 -3.251 12.182 -2.166 1.00 0.00 C ATOM 1057 O PRO B -2 -4.105 12.524 -2.988 1.00 0.00 O ATOM 1058 CB PRO B -2 -1.920 10.150 -2.890 1.00 0.00 C ATOM 1059 CG PRO B -2 -2.273 8.666 -2.944 1.00 0.00 C ATOM 1060 CD PRO B -2 -3.796 8.681 -2.844 1.00 0.00 C ATOM 0 HA PRO B -2 -2.570 10.698 -0.870 1.00 0.00 H new ATOM 0 HB2 PRO B -2 -2.010 10.624 -3.867 1.00 0.00 H new ATOM 0 HB3 PRO B -2 -0.897 10.311 -2.550 1.00 0.00 H new ATOM 0 HG2 PRO B -2 -1.932 8.202 -3.870 1.00 0.00 H new ATOM 0 HG3 PRO B -2 -1.818 8.111 -2.123 1.00 0.00 H new ATOM 0 HD2 PRO B -2 -4.254 8.790 -3.827 1.00 0.00 H new ATOM 0 HD3 PRO B -2 -4.172 7.751 -2.419 1.00 0.00 H new ATOM 1068 N GLY B -1 -2.549 13.072 -1.465 1.00 0.00 N ATOM 1069 CA GLY B -1 -2.698 14.533 -1.568 1.00 0.00 C ATOM 1070 C GLY B -1 -3.891 15.133 -0.804 1.00 0.00 C ATOM 1071 O GLY B -1 -3.923 16.346 -0.601 1.00 0.00 O ATOM 0 H GLY B -1 -1.839 12.793 -0.788 1.00 0.00 H new ATOM 0 HA2 GLY B -1 -1.783 15.000 -1.203 1.00 0.00 H new ATOM 0 HA3 GLY B -1 -2.793 14.798 -2.621 1.00 0.00 H new ATOM 1075 N SER B 0 -4.842 14.314 -0.325 1.00 0.00 N ATOM 1076 CA SER B 0 -5.944 14.759 0.549 1.00 0.00 C ATOM 1077 C SER B 0 -5.444 15.157 1.946 1.00 0.00 C ATOM 1078 O SER B 0 -5.896 16.143 2.534 1.00 0.00 O ATOM 1079 CB SER B 0 -6.986 13.637 0.637 1.00 0.00 C ATOM 1080 OG SER B 0 -8.120 14.044 1.388 1.00 0.00 O ATOM 0 H SER B 0 -4.869 13.316 -0.534 1.00 0.00 H new ATOM 0 HA SER B 0 -6.397 15.651 0.117 1.00 0.00 H new ATOM 0 HB2 SER B 0 -7.297 13.347 -0.367 1.00 0.00 H new ATOM 0 HB3 SER B 0 -6.538 12.757 1.099 1.00 0.00 H new ATOM 0 HG SER B 0 -8.768 13.310 1.426 1.00 0.00 H new ATOM 1086 N MET B 1 -4.450 14.422 2.457 1.00 0.00 N ATOM 1087 CA MET B 1 -3.696 14.710 3.686 1.00 0.00 C ATOM 1088 C MET B 1 -2.301 14.049 3.646 1.00 0.00 C ATOM 1089 O MET B 1 -2.020 13.205 2.786 1.00 0.00 O ATOM 1090 CB MET B 1 -4.494 14.253 4.925 1.00 0.00 C ATOM 1091 CG MET B 1 -4.686 12.728 5.014 1.00 0.00 C ATOM 1092 SD MET B 1 -5.362 12.136 6.592 1.00 0.00 S ATOM 1093 CE MET B 1 -3.906 12.339 7.666 1.00 0.00 C ATOM 0 H MET B 1 -4.132 13.566 2.002 1.00 0.00 H new ATOM 0 HA MET B 1 -3.548 15.788 3.755 1.00 0.00 H new ATOM 0 HB2 MET B 1 -3.982 14.598 5.823 1.00 0.00 H new ATOM 0 HB3 MET B 1 -5.473 14.733 4.912 1.00 0.00 H new ATOM 0 HG2 MET B 1 -5.350 12.412 4.209 1.00 0.00 H new ATOM 0 HG3 MET B 1 -3.724 12.244 4.843 1.00 0.00 H new ATOM 0 HE1 MET B 1 -4.106 11.889 8.638 1.00 0.00 H new ATOM 0 HE2 MET B 1 -3.046 11.850 7.209 1.00 0.00 H new ATOM 0 HE3 MET B 1 -3.694 13.400 7.794 1.00 0.00 H new ATOM 1103 N CYS B 2 -1.446 14.396 4.611 1.00 0.00 N ATOM 1104 CA CYS B 2 -0.173 13.726 4.891 1.00 0.00 C ATOM 1105 C CYS B 2 0.080 13.698 6.413 1.00 0.00 C ATOM 1106 O CYS B 2 -0.483 14.496 7.169 1.00 0.00 O ATOM 1107 CB CYS B 2 0.942 14.403 4.076 1.00 0.00 C ATOM 1108 SG CYS B 2 2.655 13.879 4.398 1.00 0.00 S ATOM 0 H CYS B 2 -1.627 15.178 5.241 1.00 0.00 H new ATOM 0 HA CYS B 2 -0.197 12.683 4.576 1.00 0.00 H new ATOM 0 HB2 CYS B 2 0.733 14.239 3.019 1.00 0.00 H new ATOM 0 HB3 CYS B 2 0.881 15.477 4.250 1.00 0.00 H new ATOM 1113 N MET B 3 0.909 12.756 6.866 1.00 0.00 N ATOM 1114 CA MET B 3 1.271 12.539 8.276 1.00 0.00 C ATOM 1115 C MET B 3 2.742 12.112 8.423 1.00 0.00 C ATOM 1116 O MET B 3 3.428 11.833 7.434 1.00 0.00 O ATOM 1117 CB MET B 3 0.279 11.552 8.934 1.00 0.00 C ATOM 1118 CG MET B 3 0.178 10.159 8.290 1.00 0.00 C ATOM 1119 SD MET B 3 1.638 9.080 8.355 1.00 0.00 S ATOM 1120 CE MET B 3 1.706 8.700 10.130 1.00 0.00 C ATOM 0 H MET B 3 1.367 12.095 6.239 1.00 0.00 H new ATOM 0 HA MET B 3 1.187 13.484 8.813 1.00 0.00 H new ATOM 0 HB2 MET B 3 0.563 11.426 9.979 1.00 0.00 H new ATOM 0 HB3 MET B 3 -0.712 12.006 8.926 1.00 0.00 H new ATOM 0 HG2 MET B 3 -0.649 9.631 8.765 1.00 0.00 H new ATOM 0 HG3 MET B 3 -0.090 10.294 7.242 1.00 0.00 H new ATOM 0 HE1 MET B 3 2.532 8.016 10.324 1.00 0.00 H new ATOM 0 HE2 MET B 3 1.858 9.621 10.694 1.00 0.00 H new ATOM 0 HE3 MET B 3 0.770 8.236 10.439 1.00 0.00 H new ATOM 1130 N ALA B 4 3.236 12.099 9.663 1.00 0.00 N ATOM 1131 CA ALA B 4 4.639 11.878 10.002 1.00 0.00 C ATOM 1132 C ALA B 4 4.860 10.864 11.141 1.00 0.00 C ATOM 1133 O ALA B 4 3.952 10.537 11.915 1.00 0.00 O ATOM 1134 CB ALA B 4 5.273 13.237 10.329 1.00 0.00 C ATOM 0 H ALA B 4 2.649 12.247 10.484 1.00 0.00 H new ATOM 0 HA ALA B 4 5.124 11.424 9.138 1.00 0.00 H new ATOM 0 HB1 ALA B 4 6.323 13.096 10.586 1.00 0.00 H new ATOM 0 HB2 ALA B 4 5.196 13.893 9.462 1.00 0.00 H new ATOM 0 HB3 ALA B 4 4.751 13.689 11.172 1.00 0.00 H new ATOM 1140 N LYS B 5 6.115 10.421 11.252 1.00 0.00 N ATOM 1141 CA LYS B 5 6.673 9.675 12.384 1.00 0.00 C ATOM 1142 C LYS B 5 7.907 10.409 12.929 1.00 0.00 C ATOM 1143 O LYS B 5 8.822 10.750 12.179 1.00 0.00 O ATOM 1144 CB LYS B 5 6.927 8.205 11.996 1.00 0.00 C ATOM 1145 CG LYS B 5 7.997 7.995 10.901 1.00 0.00 C ATOM 1146 CD LYS B 5 8.147 6.514 10.504 1.00 0.00 C ATOM 1147 CE LYS B 5 7.021 6.009 9.587 1.00 0.00 C ATOM 1148 NZ LYS B 5 7.227 6.385 8.162 1.00 0.00 N1+ ATOM 0 H LYS B 5 6.805 10.581 10.518 1.00 0.00 H new ATOM 0 HA LYS B 5 5.954 9.634 13.202 1.00 0.00 H new ATOM 0 HB2 LYS B 5 7.229 7.656 12.888 1.00 0.00 H new ATOM 0 HB3 LYS B 5 5.989 7.767 11.655 1.00 0.00 H new ATOM 0 HG2 LYS B 5 7.731 8.580 10.020 1.00 0.00 H new ATOM 0 HG3 LYS B 5 8.956 8.372 11.257 1.00 0.00 H new ATOM 0 HD2 LYS B 5 9.104 6.376 10.001 1.00 0.00 H new ATOM 0 HD3 LYS B 5 8.171 5.904 11.407 1.00 0.00 H new ATOM 0 HE2 LYS B 5 6.953 4.924 9.666 1.00 0.00 H new ATOM 0 HE3 LYS B 5 6.069 6.414 9.931 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 6.517 5.908 7.571 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 7.130 7.415 8.057 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 8.179 6.095 7.861 1.00 0.00 H new ATOM 1162 N VAL B 6 7.923 10.684 14.229 1.00 0.00 N ATOM 1163 CA VAL B 6 9.012 11.386 14.932 1.00 0.00 C ATOM 1164 C VAL B 6 9.970 10.371 15.566 1.00 0.00 C ATOM 1165 O VAL B 6 9.531 9.361 16.124 1.00 0.00 O ATOM 1166 CB VAL B 6 8.436 12.356 15.989 1.00 0.00 C ATOM 1167 CG1 VAL B 6 9.502 12.995 16.893 1.00 0.00 C ATOM 1168 CG2 VAL B 6 7.684 13.510 15.318 1.00 0.00 C ATOM 0 H VAL B 6 7.158 10.420 14.850 1.00 0.00 H new ATOM 0 HA VAL B 6 9.576 11.979 14.212 1.00 0.00 H new ATOM 0 HB VAL B 6 7.778 11.737 16.599 1.00 0.00 H new ATOM 0 HG11 VAL B 6 9.020 13.662 17.608 1.00 0.00 H new ATOM 0 HG12 VAL B 6 10.039 12.214 17.431 1.00 0.00 H new ATOM 0 HG13 VAL B 6 10.204 13.563 16.282 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.288 14.179 16.082 1.00 0.00 H new ATOM 0 HG22 VAL B 6 8.366 14.061 14.671 1.00 0.00 H new ATOM 0 HG23 VAL B 6 6.862 13.112 14.723 1.00 0.00 H new ATOM 1178 N VAL B 7 11.272 10.665 15.538 1.00 0.00 N ATOM 1179 CA VAL B 7 12.325 9.971 16.296 1.00 0.00 C ATOM 1180 C VAL B 7 13.222 10.977 17.034 1.00 0.00 C ATOM 1181 O VAL B 7 13.592 12.024 16.491 1.00 0.00 O ATOM 1182 CB VAL B 7 13.121 8.993 15.400 1.00 0.00 C ATOM 1183 CG1 VAL B 7 13.814 9.667 14.204 1.00 0.00 C ATOM 1184 CG2 VAL B 7 14.192 8.228 16.185 1.00 0.00 C ATOM 0 H VAL B 7 11.640 11.424 14.964 1.00 0.00 H new ATOM 0 HA VAL B 7 11.849 9.356 17.060 1.00 0.00 H new ATOM 0 HB VAL B 7 12.360 8.309 15.024 1.00 0.00 H new ATOM 0 HG11 VAL B 7 14.351 8.916 13.624 1.00 0.00 H new ATOM 0 HG12 VAL B 7 13.066 10.146 13.573 1.00 0.00 H new ATOM 0 HG13 VAL B 7 14.517 10.417 14.566 1.00 0.00 H new ATOM 0 HG21 VAL B 7 14.724 7.554 15.513 1.00 0.00 H new ATOM 0 HG22 VAL B 7 14.897 8.935 16.623 1.00 0.00 H new ATOM 0 HG23 VAL B 7 13.718 7.650 16.978 1.00 0.00 H new ATOM 1194 N LEU B 8 13.567 10.656 18.283 1.00 0.00 N ATOM 1195 CA LEU B 8 14.448 11.445 19.153 1.00 0.00 C ATOM 1196 C LEU B 8 15.244 10.545 20.111 1.00 0.00 C ATOM 1197 O LEU B 8 14.826 9.420 20.408 1.00 0.00 O ATOM 1198 CB LEU B 8 13.607 12.505 19.902 1.00 0.00 C ATOM 1199 CG LEU B 8 12.645 11.969 20.984 1.00 0.00 C ATOM 1200 CD1 LEU B 8 13.277 11.946 22.382 1.00 0.00 C ATOM 1201 CD2 LEU B 8 11.395 12.843 21.062 1.00 0.00 C ATOM 0 H LEU B 8 13.228 9.807 18.735 1.00 0.00 H new ATOM 0 HA LEU B 8 15.189 11.963 18.543 1.00 0.00 H new ATOM 0 HB2 LEU B 8 14.289 13.215 20.370 1.00 0.00 H new ATOM 0 HB3 LEU B 8 13.023 13.060 19.168 1.00 0.00 H new ATOM 0 HG LEU B 8 12.401 10.948 20.689 1.00 0.00 H new ATOM 0 HD11 LEU B 8 12.555 11.560 23.101 1.00 0.00 H new ATOM 0 HD12 LEU B 8 14.158 11.304 22.372 1.00 0.00 H new ATOM 0 HD13 LEU B 8 13.568 12.957 22.667 1.00 0.00 H new ATOM 0 HD21 LEU B 8 10.726 12.453 21.829 1.00 0.00 H new ATOM 0 HD22 LEU B 8 11.680 13.864 21.314 1.00 0.00 H new ATOM 0 HD23 LEU B 8 10.886 12.836 20.098 1.00 0.00 H new ATOM 1213 N THR B 9 16.354 11.059 20.648 1.00 0.00 N ATOM 1214 CA THR B 9 17.124 10.409 21.725 1.00 0.00 C ATOM 1215 C THR B 9 17.489 11.427 22.806 1.00 0.00 C ATOM 1216 O THR B 9 18.040 12.488 22.505 1.00 0.00 O ATOM 1217 CB THR B 9 18.373 9.676 21.192 1.00 0.00 C ATOM 1218 OG1 THR B 9 18.012 8.749 20.188 1.00 0.00 O ATOM 1219 CG2 THR B 9 19.111 8.879 22.270 1.00 0.00 C ATOM 0 H THR B 9 16.752 11.949 20.347 1.00 0.00 H new ATOM 0 HA THR B 9 16.487 9.645 22.171 1.00 0.00 H new ATOM 0 HB THR B 9 19.026 10.462 20.812 1.00 0.00 H new ATOM 0 HG1 THR B 9 18.815 8.294 19.859 1.00 0.00 H new ATOM 0 HG21 THR B 9 19.979 8.388 21.829 1.00 0.00 H new ATOM 0 HG22 THR B 9 19.438 9.554 23.061 1.00 0.00 H new ATOM 0 HG23 THR B 9 18.442 8.127 22.688 1.00 0.00 H new ATOM 1227 N LYS B 10 17.177 11.111 24.069 1.00 0.00 N ATOM 1228 CA LYS B 10 17.438 11.955 25.249 1.00 0.00 C ATOM 1229 C LYS B 10 18.941 12.103 25.533 1.00 0.00 C ATOM 1230 O LYS B 10 19.742 11.262 25.126 1.00 0.00 O ATOM 1231 CB LYS B 10 16.727 11.359 26.478 1.00 0.00 C ATOM 1232 CG LYS B 10 15.201 11.271 26.328 1.00 0.00 C ATOM 1233 CD LYS B 10 14.578 10.606 27.563 1.00 0.00 C ATOM 1234 CE LYS B 10 13.104 10.288 27.296 1.00 0.00 C ATOM 1235 NZ LYS B 10 12.437 9.708 28.489 1.00 0.00 N1+ ATOM 0 H LYS B 10 16.720 10.231 24.309 1.00 0.00 H new ATOM 0 HA LYS B 10 17.047 12.950 25.039 1.00 0.00 H new ATOM 0 HB2 LYS B 10 17.123 10.361 26.667 1.00 0.00 H new ATOM 0 HB3 LYS B 10 16.963 11.966 27.352 1.00 0.00 H new ATOM 0 HG2 LYS B 10 14.784 12.270 26.196 1.00 0.00 H new ATOM 0 HG3 LYS B 10 14.950 10.700 25.434 1.00 0.00 H new ATOM 0 HD2 LYS B 10 15.118 9.691 27.806 1.00 0.00 H new ATOM 0 HD3 LYS B 10 14.666 11.266 28.426 1.00 0.00 H new ATOM 0 HE2 LYS B 10 12.585 11.198 26.997 1.00 0.00 H new ATOM 0 HE3 LYS B 10 13.029 9.589 26.463 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 11.441 9.507 28.267 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 12.916 8.826 28.760 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 12.486 10.385 29.277 1.00 0.00 H new ATOM 1249 N ALA B 11 19.307 13.096 26.336 1.00 0.00 N ATOM 1250 CA ALA B 11 20.664 13.251 26.877 1.00 0.00 C ATOM 1251 C ALA B 11 21.087 12.068 27.779 1.00 0.00 C ATOM 1252 O ALA B 11 22.273 11.739 27.877 1.00 0.00 O ATOM 1253 CB ALA B 11 20.717 14.583 27.642 1.00 0.00 C ATOM 0 H ALA B 11 18.665 13.829 26.637 1.00 0.00 H new ATOM 0 HA ALA B 11 21.377 13.255 26.052 1.00 0.00 H new ATOM 0 HB1 ALA B 11 21.715 14.725 28.056 1.00 0.00 H new ATOM 0 HB2 ALA B 11 20.486 15.403 26.962 1.00 0.00 H new ATOM 0 HB3 ALA B 11 19.987 14.567 28.452 1.00 0.00 H new ATOM 1259 N ASP B 12 20.112 11.379 28.391 1.00 0.00 N ATOM 1260 CA ASP B 12 20.297 10.125 29.145 1.00 0.00 C ATOM 1261 C ASP B 12 20.515 8.883 28.240 1.00 0.00 C ATOM 1262 O ASP B 12 20.758 7.780 28.737 1.00 0.00 O ATOM 1263 CB ASP B 12 19.071 9.924 30.052 1.00 0.00 C ATOM 1264 CG ASP B 12 19.265 8.869 31.160 1.00 0.00 C ATOM 1265 OD1 ASP B 12 18.283 8.160 31.491 1.00 0.00 O ATOM 1266 OD2 ASP B 12 20.370 8.785 31.751 1.00 0.00 O1- ATOM 0 H ASP B 12 19.140 11.688 28.375 1.00 0.00 H new ATOM 0 HA ASP B 12 21.209 10.219 29.734 1.00 0.00 H new ATOM 0 HB2 ASP B 12 18.817 10.877 30.515 1.00 0.00 H new ATOM 0 HB3 ASP B 12 18.221 9.633 29.435 1.00 0.00 H new ATOM 1271 N GLY B 13 20.427 9.039 26.912 1.00 0.00 N ATOM 1272 CA GLY B 13 20.575 7.967 25.912 1.00 0.00 C ATOM 1273 C GLY B 13 19.285 7.197 25.590 1.00 0.00 C ATOM 1274 O GLY B 13 19.334 6.193 24.871 1.00 0.00 O ATOM 0 H GLY B 13 20.244 9.948 26.487 1.00 0.00 H new ATOM 0 HA2 GLY B 13 20.961 8.402 24.990 1.00 0.00 H new ATOM 0 HA3 GLY B 13 21.324 7.259 26.268 1.00 0.00 H new ATOM 1278 N GLY B 14 18.135 7.639 26.110 1.00 0.00 N ATOM 1279 CA GLY B 14 16.833 7.005 25.882 1.00 0.00 C ATOM 1280 C GLY B 14 16.227 7.382 24.523 1.00 0.00 C ATOM 1281 O GLY B 14 15.857 8.539 24.317 1.00 0.00 O ATOM 0 H GLY B 14 18.082 8.461 26.711 1.00 0.00 H new ATOM 0 HA2 GLY B 14 16.945 5.922 25.939 1.00 0.00 H new ATOM 0 HA3 GLY B 14 16.146 7.297 26.676 1.00 0.00 H new ATOM 1285 N ARG B 15 16.106 6.423 23.596 1.00 0.00 N ATOM 1286 CA ARG B 15 15.436 6.604 22.292 1.00 0.00 C ATOM 1287 C ARG B 15 13.907 6.527 22.435 1.00 0.00 C ATOM 1288 O ARG B 15 13.388 5.646 23.120 1.00 0.00 O ATOM 1289 CB ARG B 15 16.002 5.590 21.284 1.00 0.00 C ATOM 1290 CG ARG B 15 15.415 5.736 19.865 1.00 0.00 C ATOM 1291 CD ARG B 15 16.201 4.863 18.880 1.00 0.00 C ATOM 1292 NE ARG B 15 15.560 4.823 17.552 1.00 0.00 N ATOM 1293 CZ ARG B 15 16.151 4.642 16.384 1.00 0.00 C ATOM 1294 NH1 ARG B 15 17.444 4.538 16.248 1.00 0.00 N1+ ATOM 1295 NH2 ARG B 15 15.410 4.549 15.324 1.00 0.00 N ATOM 0 H ARG B 15 16.476 5.482 23.729 1.00 0.00 H new ATOM 0 HA ARG B 15 15.643 7.603 21.908 1.00 0.00 H new ATOM 0 HB2 ARG B 15 17.085 5.706 21.234 1.00 0.00 H new ATOM 0 HB3 ARG B 15 15.806 4.581 21.647 1.00 0.00 H new ATOM 0 HG2 ARG B 15 14.365 5.444 19.865 1.00 0.00 H new ATOM 0 HG3 ARG B 15 15.455 6.779 19.551 1.00 0.00 H new ATOM 0 HD2 ARG B 15 17.216 5.248 18.782 1.00 0.00 H new ATOM 0 HD3 ARG B 15 16.281 3.851 19.276 1.00 0.00 H new ATOM 0 HE ARG B 15 14.548 4.949 17.533 1.00 0.00 H new ATOM 0 HH11 ARG B 15 18.049 4.596 17.067 1.00 0.00 H new ATOM 0 HH12 ARG B 15 17.850 4.399 15.323 1.00 0.00 H new ATOM 0 HH21 ARG B 15 14.395 4.616 15.404 1.00 0.00 H new ATOM 0 HH22 ARG B 15 15.842 4.409 14.411 1.00 0.00 H new ATOM 1309 N VAL B 16 13.199 7.441 21.770 1.00 0.00 N ATOM 1310 CA VAL B 16 11.725 7.558 21.762 1.00 0.00 C ATOM 1311 C VAL B 16 11.209 7.816 20.342 1.00 0.00 C ATOM 1312 O VAL B 16 11.829 8.556 19.578 1.00 0.00 O ATOM 1313 CB VAL B 16 11.242 8.656 22.742 1.00 0.00 C ATOM 1314 CG1 VAL B 16 9.715 8.795 22.783 1.00 0.00 C ATOM 1315 CG2 VAL B 16 11.720 8.408 24.180 1.00 0.00 C ATOM 0 H VAL B 16 13.648 8.154 21.195 1.00 0.00 H new ATOM 0 HA VAL B 16 11.311 6.610 22.105 1.00 0.00 H new ATOM 0 HB VAL B 16 11.681 9.575 22.353 1.00 0.00 H new ATOM 0 HG11 VAL B 16 9.440 9.580 23.488 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.346 9.053 21.790 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.272 7.851 23.100 1.00 0.00 H new ATOM 0 HG21 VAL B 16 11.355 9.205 24.827 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.335 7.451 24.531 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.810 8.392 24.204 1.00 0.00 H new ATOM 1325 N GLU B 17 10.067 7.219 19.986 1.00 0.00 N ATOM 1326 CA GLU B 17 9.420 7.354 18.671 1.00 0.00 C ATOM 1327 C GLU B 17 7.898 7.530 18.799 1.00 0.00 C ATOM 1328 O GLU B 17 7.268 6.953 19.694 1.00 0.00 O ATOM 1329 CB GLU B 17 9.748 6.148 17.769 1.00 0.00 C ATOM 1330 CG GLU B 17 11.247 6.059 17.434 1.00 0.00 C ATOM 1331 CD GLU B 17 11.634 4.886 16.518 1.00 0.00 C ATOM 1332 OE1 GLU B 17 10.751 4.212 15.925 1.00 0.00 O ATOM 1333 OE2 GLU B 17 12.855 4.633 16.373 1.00 0.00 O1- ATOM 0 H GLU B 17 9.550 6.610 20.621 1.00 0.00 H new ATOM 0 HA GLU B 17 9.820 8.255 18.207 1.00 0.00 H new ATOM 0 HB2 GLU B 17 9.434 5.230 18.266 1.00 0.00 H new ATOM 0 HB3 GLU B 17 9.175 6.222 16.845 1.00 0.00 H new ATOM 0 HG2 GLU B 17 11.555 6.990 16.958 1.00 0.00 H new ATOM 0 HG3 GLU B 17 11.809 5.976 18.364 1.00 0.00 H new ATOM 1340 N ILE B 18 7.297 8.327 17.905 1.00 0.00 N ATOM 1341 CA ILE B 18 5.868 8.704 17.921 1.00 0.00 C ATOM 1342 C ILE B 18 5.314 8.685 16.487 1.00 0.00 C ATOM 1343 O ILE B 18 5.788 9.439 15.637 1.00 0.00 O ATOM 1344 CB ILE B 18 5.652 10.098 18.574 1.00 0.00 C ATOM 1345 CG1 ILE B 18 6.250 10.181 19.998 1.00 0.00 C ATOM 1346 CG2 ILE B 18 4.154 10.474 18.598 1.00 0.00 C ATOM 1347 CD1 ILE B 18 6.207 11.580 20.622 1.00 0.00 C ATOM 0 H ILE B 18 7.804 8.743 17.124 1.00 0.00 H new ATOM 0 HA ILE B 18 5.327 7.976 18.526 1.00 0.00 H new ATOM 0 HB ILE B 18 6.186 10.818 17.954 1.00 0.00 H new ATOM 0 HG12 ILE B 18 5.710 9.491 20.646 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.286 9.843 19.964 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.032 11.454 19.060 1.00 0.00 H new ATOM 0 HG22 ILE B 18 3.770 10.503 17.578 1.00 0.00 H new ATOM 0 HG23 ILE B 18 3.601 9.731 19.173 1.00 0.00 H new ATOM 0 HD11 ILE B 18 6.646 11.547 21.619 1.00 0.00 H new ATOM 0 HD12 ILE B 18 6.772 12.274 19.999 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.172 11.916 20.692 1.00 0.00 H new ATOM 1359 N GLY B 19 4.307 7.852 16.221 1.00 0.00 N ATOM 1360 CA GLY B 19 3.584 7.797 14.938 1.00 0.00 C ATOM 1361 C GLY B 19 2.337 8.693 14.897 1.00 0.00 C ATOM 1362 O GLY B 19 1.981 9.347 15.884 1.00 0.00 O ATOM 0 H GLY B 19 3.959 7.179 16.904 1.00 0.00 H new ATOM 0 HA2 GLY B 19 4.260 8.093 14.136 1.00 0.00 H new ATOM 0 HA3 GLY B 19 3.288 6.767 14.741 1.00 0.00 H new ATOM 1366 N ASP B 20 1.642 8.681 13.759 1.00 0.00 N ATOM 1367 CA ASP B 20 0.345 9.356 13.550 1.00 0.00 C ATOM 1368 C ASP B 20 0.369 10.894 13.766 1.00 0.00 C ATOM 1369 O ASP B 20 -0.636 11.492 14.161 1.00 0.00 O ATOM 1370 CB ASP B 20 -0.768 8.629 14.337 1.00 0.00 C ATOM 1371 CG ASP B 20 -0.832 7.110 14.070 1.00 0.00 C ATOM 1372 OD1 ASP B 20 -1.118 6.339 15.018 1.00 0.00 O ATOM 1373 OD2 ASP B 20 -0.621 6.675 12.911 1.00 0.00 O1- ATOM 0 H ASP B 20 1.969 8.189 12.928 1.00 0.00 H new ATOM 0 HA ASP B 20 0.112 9.272 12.488 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -0.613 8.794 15.403 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -1.730 9.074 14.082 1.00 0.00 H new ATOM 1378 N VAL B 21 1.522 11.532 13.533 1.00 0.00 N ATOM 1379 CA VAL B 21 1.766 12.969 13.761 1.00 0.00 C ATOM 1380 C VAL B 21 1.230 13.815 12.595 1.00 0.00 C ATOM 1381 O VAL B 21 1.486 13.492 11.437 1.00 0.00 O ATOM 1382 CB VAL B 21 3.276 13.218 13.990 1.00 0.00 C ATOM 1383 CG1 VAL B 21 3.626 14.697 14.161 1.00 0.00 C ATOM 1384 CG2 VAL B 21 3.764 12.468 15.236 1.00 0.00 C ATOM 0 H VAL B 21 2.342 11.049 13.168 1.00 0.00 H new ATOM 0 HA VAL B 21 1.226 13.276 14.656 1.00 0.00 H new ATOM 0 HB VAL B 21 3.772 12.851 13.092 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.700 14.801 14.318 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.335 15.246 13.265 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.093 15.100 15.022 1.00 0.00 H new ATOM 0 HG21 VAL B 21 4.828 12.656 15.380 1.00 0.00 H new ATOM 0 HG22 VAL B 21 3.213 12.816 16.109 1.00 0.00 H new ATOM 0 HG23 VAL B 21 3.599 11.399 15.105 1.00 0.00 H new ATOM 1394 N LEU B 22 0.537 14.919 12.894 1.00 0.00 N ATOM 1395 CA LEU B 22 0.139 15.934 11.903 1.00 0.00 C ATOM 1396 C LEU B 22 1.058 17.162 11.880 1.00 0.00 C ATOM 1397 O LEU B 22 1.307 17.704 10.802 1.00 0.00 O ATOM 1398 CB LEU B 22 -1.310 16.386 12.138 1.00 0.00 C ATOM 1399 CG LEU B 22 -2.379 15.313 11.892 1.00 0.00 C ATOM 1400 CD1 LEU B 22 -3.769 15.944 12.013 1.00 0.00 C ATOM 1401 CD2 LEU B 22 -2.288 14.658 10.510 1.00 0.00 C ATOM 0 H LEU B 22 0.231 15.139 13.842 1.00 0.00 H new ATOM 0 HA LEU B 22 0.228 15.448 10.932 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -1.401 16.738 13.166 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -1.517 17.238 11.490 1.00 0.00 H new ATOM 0 HG LEU B 22 -2.208 14.540 12.641 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.530 15.184 11.839 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -3.894 16.360 13.013 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -3.874 16.738 11.274 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -3.075 13.911 10.409 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -2.408 15.418 9.738 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -1.316 14.178 10.398 1.00 0.00 H new ATOM 1413 N GLU B 23 1.588 17.583 13.031 1.00 0.00 N ATOM 1414 CA GLU B 23 2.586 18.660 13.084 1.00 0.00 C ATOM 1415 C GLU B 23 3.563 18.548 14.264 1.00 0.00 C ATOM 1416 O GLU B 23 3.284 17.928 15.294 1.00 0.00 O ATOM 1417 CB GLU B 23 1.935 20.061 13.022 1.00 0.00 C ATOM 1418 CG GLU B 23 1.199 20.503 14.292 1.00 0.00 C ATOM 1419 CD GLU B 23 0.905 22.010 14.291 1.00 0.00 C ATOM 1420 OE1 GLU B 23 -0.251 22.412 14.543 1.00 0.00 O ATOM 1421 OE2 GLU B 23 1.825 22.832 14.078 1.00 0.00 O1- ATOM 0 H GLU B 23 1.343 17.195 13.942 1.00 0.00 H new ATOM 0 HA GLU B 23 3.189 18.530 12.185 1.00 0.00 H new ATOM 0 HB2 GLU B 23 2.711 20.793 12.799 1.00 0.00 H new ATOM 0 HB3 GLU B 23 1.231 20.079 12.190 1.00 0.00 H new ATOM 0 HG2 GLU B 23 0.263 19.951 14.379 1.00 0.00 H new ATOM 0 HG3 GLU B 23 1.800 20.251 15.166 1.00 0.00 H new ATOM 1428 N VAL B 24 4.712 19.208 14.096 1.00 0.00 N ATOM 1429 CA VAL B 24 5.797 19.360 15.078 1.00 0.00 C ATOM 1430 C VAL B 24 6.218 20.834 15.127 1.00 0.00 C ATOM 1431 O VAL B 24 6.300 21.488 14.086 1.00 0.00 O ATOM 1432 CB VAL B 24 6.987 18.442 14.736 1.00 0.00 C ATOM 1433 CG1 VAL B 24 8.118 18.526 15.768 1.00 0.00 C ATOM 1434 CG2 VAL B 24 6.556 16.972 14.662 1.00 0.00 C ATOM 0 H VAL B 24 4.926 19.681 13.218 1.00 0.00 H new ATOM 0 HA VAL B 24 5.442 19.059 16.063 1.00 0.00 H new ATOM 0 HB VAL B 24 7.347 18.794 13.769 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.928 17.858 15.475 1.00 0.00 H new ATOM 0 HG12 VAL B 24 8.491 19.549 15.817 1.00 0.00 H new ATOM 0 HG13 VAL B 24 7.740 18.230 16.747 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.419 16.352 14.419 1.00 0.00 H new ATOM 0 HG22 VAL B 24 6.147 16.664 15.624 1.00 0.00 H new ATOM 0 HG23 VAL B 24 5.796 16.854 13.890 1.00 0.00 H new ATOM 1444 N ARG B 25 6.496 21.361 16.329 1.00 0.00 N ATOM 1445 CA ARG B 25 6.876 22.764 16.572 1.00 0.00 C ATOM 1446 C ARG B 25 8.116 22.872 17.456 1.00 0.00 C ATOM 1447 O ARG B 25 8.195 22.201 18.486 1.00 0.00 O ATOM 1448 CB ARG B 25 5.715 23.542 17.223 1.00 0.00 C ATOM 1449 CG ARG B 25 4.381 23.453 16.469 1.00 0.00 C ATOM 1450 CD ARG B 25 3.389 24.469 17.053 1.00 0.00 C ATOM 1451 NE ARG B 25 2.077 24.382 16.390 1.00 0.00 N ATOM 1452 CZ ARG B 25 0.964 25.010 16.720 1.00 0.00 C ATOM 1453 NH1 ARG B 25 0.928 25.918 17.650 1.00 0.00 N1+ ATOM 1454 NH2 ARG B 25 -0.147 24.739 16.097 1.00 0.00 N ATOM 0 H ARG B 25 6.462 20.808 17.185 1.00 0.00 H new ATOM 0 HA ARG B 25 7.107 23.201 15.601 1.00 0.00 H new ATOM 0 HB2 ARG B 25 5.569 23.169 18.237 1.00 0.00 H new ATOM 0 HB3 ARG B 25 6.000 24.591 17.307 1.00 0.00 H new ATOM 0 HG2 ARG B 25 4.537 23.651 15.409 1.00 0.00 H new ATOM 0 HG3 ARG B 25 3.974 22.445 16.548 1.00 0.00 H new ATOM 0 HD2 ARG B 25 3.271 24.291 18.122 1.00 0.00 H new ATOM 0 HD3 ARG B 25 3.789 25.477 16.940 1.00 0.00 H new ATOM 0 HE ARG B 25 2.022 23.764 15.581 1.00 0.00 H new ATOM 0 HH11 ARG B 25 1.780 26.167 18.153 1.00 0.00 H new ATOM 0 HH12 ARG B 25 0.048 26.381 17.877 1.00 0.00 H new ATOM 0 HH21 ARG B 25 -0.158 24.041 15.353 1.00 0.00 H new ATOM 0 HH22 ARG B 25 -1.007 25.225 16.353 1.00 0.00 H new ATOM 1468 N ALA B 26 9.048 23.744 17.089 1.00 0.00 N ATOM 1469 CA ALA B 26 10.198 24.131 17.906 1.00 0.00 C ATOM 1470 C ALA B 26 9.919 25.409 18.720 1.00 0.00 C ATOM 1471 O ALA B 26 9.258 26.342 18.254 1.00 0.00 O ATOM 1472 CB ALA B 26 11.416 24.293 16.994 1.00 0.00 C ATOM 0 H ALA B 26 9.026 24.218 16.186 1.00 0.00 H new ATOM 0 HA ALA B 26 10.398 23.348 18.637 1.00 0.00 H new ATOM 0 HB1 ALA B 26 12.281 24.582 17.591 1.00 0.00 H new ATOM 0 HB2 ALA B 26 11.621 23.349 16.490 1.00 0.00 H new ATOM 0 HB3 ALA B 26 11.214 25.064 16.251 1.00 0.00 H new ATOM 1478 N GLU B 27 10.486 25.479 19.924 1.00 0.00 N ATOM 1479 CA GLU B 27 10.562 26.667 20.787 1.00 0.00 C ATOM 1480 C GLU B 27 12.016 26.911 21.233 1.00 0.00 C ATOM 1481 O GLU B 27 12.894 26.079 20.991 1.00 0.00 O ATOM 1482 CB GLU B 27 9.623 26.511 22.001 1.00 0.00 C ATOM 1483 CG GLU B 27 8.136 26.409 21.607 1.00 0.00 C ATOM 1484 CD GLU B 27 7.159 26.469 22.802 1.00 0.00 C ATOM 1485 OE1 GLU B 27 7.538 26.912 23.918 1.00 0.00 O ATOM 1486 OE2 GLU B 27 5.973 26.094 22.619 1.00 0.00 O1- ATOM 0 H GLU B 27 10.930 24.666 20.351 1.00 0.00 H new ATOM 0 HA GLU B 27 10.233 27.537 20.219 1.00 0.00 H new ATOM 0 HB2 GLU B 27 9.907 25.619 22.560 1.00 0.00 H new ATOM 0 HB3 GLU B 27 9.758 27.362 22.669 1.00 0.00 H new ATOM 0 HG2 GLU B 27 7.898 27.218 20.917 1.00 0.00 H new ATOM 0 HG3 GLU B 27 7.977 25.474 21.069 1.00 0.00 H new ATOM 1493 N GLY B 28 12.291 28.036 21.911 1.00 0.00 N ATOM 1494 CA GLY B 28 13.616 28.452 22.408 1.00 0.00 C ATOM 1495 C GLY B 28 14.170 27.629 23.585 1.00 0.00 C ATOM 1496 O GLY B 28 14.732 28.198 24.523 1.00 0.00 O ATOM 0 H GLY B 28 11.563 28.713 22.139 1.00 0.00 H new ATOM 0 HA2 GLY B 28 14.327 28.399 21.584 1.00 0.00 H new ATOM 0 HA3 GLY B 28 13.559 29.497 22.713 1.00 0.00 H new ATOM 1500 N GLY B 29 13.979 26.308 23.558 1.00 0.00 N ATOM 1501 CA GLY B 29 14.406 25.353 24.583 1.00 0.00 C ATOM 1502 C GLY B 29 13.624 24.027 24.619 1.00 0.00 C ATOM 1503 O GLY B 29 13.824 23.257 25.561 1.00 0.00 O ATOM 0 H GLY B 29 13.498 25.853 22.782 1.00 0.00 H new ATOM 0 HA2 GLY B 29 15.461 25.128 24.429 1.00 0.00 H new ATOM 0 HA3 GLY B 29 14.321 25.831 25.559 1.00 0.00 H new ATOM 1507 N ALA B 30 12.749 23.740 23.648 1.00 0.00 N ATOM 1508 CA ALA B 30 11.936 22.518 23.589 1.00 0.00 C ATOM 1509 C ALA B 30 11.401 22.213 22.173 1.00 0.00 C ATOM 1510 O ALA B 30 11.335 23.100 21.315 1.00 0.00 O ATOM 1511 CB ALA B 30 10.753 22.673 24.559 1.00 0.00 C ATOM 0 H ALA B 30 12.582 24.367 22.861 1.00 0.00 H new ATOM 0 HA ALA B 30 12.576 21.681 23.869 1.00 0.00 H new ATOM 0 HB1 ALA B 30 10.137 21.774 24.529 1.00 0.00 H new ATOM 0 HB2 ALA B 30 11.129 22.821 25.571 1.00 0.00 H new ATOM 0 HB3 ALA B 30 10.152 23.534 24.266 1.00 0.00 H new ATOM 1517 N VAL B 31 10.939 20.975 21.957 1.00 0.00 N ATOM 1518 CA VAL B 31 10.081 20.580 20.814 1.00 0.00 C ATOM 1519 C VAL B 31 8.738 20.022 21.302 1.00 0.00 C ATOM 1520 O VAL B 31 8.670 19.361 22.342 1.00 0.00 O ATOM 1521 CB VAL B 31 10.801 19.593 19.866 1.00 0.00 C ATOM 1522 CG1 VAL B 31 9.897 19.029 18.767 1.00 0.00 C ATOM 1523 CG2 VAL B 31 11.965 20.290 19.151 1.00 0.00 C ATOM 0 H VAL B 31 11.152 20.197 22.581 1.00 0.00 H new ATOM 0 HA VAL B 31 9.875 21.479 20.233 1.00 0.00 H new ATOM 0 HB VAL B 31 11.135 18.778 20.508 1.00 0.00 H new ATOM 0 HG11 VAL B 31 10.469 18.345 18.141 1.00 0.00 H new ATOM 0 HG12 VAL B 31 9.063 18.494 19.221 1.00 0.00 H new ATOM 0 HG13 VAL B 31 9.514 19.846 18.156 1.00 0.00 H new ATOM 0 HG21 VAL B 31 12.461 19.582 18.488 1.00 0.00 H new ATOM 0 HG22 VAL B 31 11.584 21.128 18.567 1.00 0.00 H new ATOM 0 HG23 VAL B 31 12.678 20.657 19.889 1.00 0.00 H new ATOM 1533 N ARG B 32 7.668 20.276 20.538 1.00 0.00 N ATOM 1534 CA ARG B 32 6.289 19.811 20.771 1.00 0.00 C ATOM 1535 C ARG B 32 5.758 19.059 19.541 1.00 0.00 C ATOM 1536 O ARG B 32 6.065 19.435 18.412 1.00 0.00 O ATOM 1537 CB ARG B 32 5.392 21.017 21.104 1.00 0.00 C ATOM 1538 CG ARG B 32 5.755 21.661 22.454 1.00 0.00 C ATOM 1539 CD ARG B 32 5.135 23.047 22.628 1.00 0.00 C ATOM 1540 NE ARG B 32 3.669 23.015 22.733 1.00 0.00 N ATOM 1541 CZ ARG B 32 2.868 24.053 22.879 1.00 0.00 C ATOM 1542 NH1 ARG B 32 3.305 25.282 22.923 1.00 0.00 N1+ ATOM 1543 NH2 ARG B 32 1.593 23.844 22.991 1.00 0.00 N ATOM 0 H ARG B 32 7.742 20.843 19.693 1.00 0.00 H new ATOM 0 HA ARG B 32 6.281 19.119 21.613 1.00 0.00 H new ATOM 0 HB2 ARG B 32 5.481 21.762 20.313 1.00 0.00 H new ATOM 0 HB3 ARG B 32 4.350 20.697 21.125 1.00 0.00 H new ATOM 0 HG2 ARG B 32 5.420 21.013 23.264 1.00 0.00 H new ATOM 0 HG3 ARG B 32 6.839 21.739 22.536 1.00 0.00 H new ATOM 0 HD2 ARG B 32 5.547 23.513 23.523 1.00 0.00 H new ATOM 0 HD3 ARG B 32 5.419 23.674 21.783 1.00 0.00 H new ATOM 0 HE ARG B 32 3.226 22.097 22.688 1.00 0.00 H new ATOM 0 HH11 ARG B 32 4.304 25.471 22.843 1.00 0.00 H new ATOM 0 HH12 ARG B 32 2.647 26.053 23.037 1.00 0.00 H new ATOM 0 HH21 ARG B 32 1.228 22.892 22.965 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.955 24.632 23.105 1.00 0.00 H new ATOM 1557 N VAL B 33 4.961 18.014 19.755 1.00 0.00 N ATOM 1558 CA VAL B 33 4.479 17.058 18.735 1.00 0.00 C ATOM 1559 C VAL B 33 2.969 16.839 18.893 1.00 0.00 C ATOM 1560 O VAL B 33 2.517 16.582 20.011 1.00 0.00 O ATOM 1561 CB VAL B 33 5.232 15.714 18.862 1.00 0.00 C ATOM 1562 CG1 VAL B 33 4.750 14.671 17.845 1.00 0.00 C ATOM 1563 CG2 VAL B 33 6.751 15.859 18.693 1.00 0.00 C ATOM 0 H VAL B 33 4.611 17.792 20.687 1.00 0.00 H new ATOM 0 HA VAL B 33 4.673 17.472 17.745 1.00 0.00 H new ATOM 0 HB VAL B 33 5.009 15.377 19.875 1.00 0.00 H new ATOM 0 HG11 VAL B 33 5.312 13.746 17.978 1.00 0.00 H new ATOM 0 HG12 VAL B 33 3.689 14.476 17.999 1.00 0.00 H new ATOM 0 HG13 VAL B 33 4.907 15.049 16.835 1.00 0.00 H new ATOM 0 HG21 VAL B 33 7.223 14.882 18.793 1.00 0.00 H new ATOM 0 HG22 VAL B 33 6.970 16.269 17.707 1.00 0.00 H new ATOM 0 HG23 VAL B 33 7.140 16.530 19.459 1.00 0.00 H new ATOM 1573 N THR B 34 2.200 16.892 17.799 1.00 0.00 N ATOM 1574 CA THR B 34 0.721 16.808 17.816 1.00 0.00 C ATOM 1575 C THR B 34 0.190 15.738 16.857 1.00 0.00 C ATOM 1576 O THR B 34 0.536 15.734 15.673 1.00 0.00 O ATOM 1577 CB THR B 34 0.102 18.179 17.479 1.00 0.00 C ATOM 1578 OG1 THR B 34 0.518 19.143 18.428 1.00 0.00 O ATOM 1579 CG2 THR B 34 -1.428 18.175 17.493 1.00 0.00 C ATOM 0 H THR B 34 2.586 16.996 16.860 1.00 0.00 H new ATOM 0 HA THR B 34 0.426 16.516 18.824 1.00 0.00 H new ATOM 0 HB THR B 34 0.444 18.416 16.471 1.00 0.00 H new ATOM 0 HG1 THR B 34 0.122 20.012 18.207 1.00 0.00 H new ATOM 0 HG21 THR B 34 -1.797 19.171 17.248 1.00 0.00 H new ATOM 0 HG22 THR B 34 -1.797 17.460 16.757 1.00 0.00 H new ATOM 0 HG23 THR B 34 -1.782 17.891 18.484 1.00 0.00 H new ATOM 1587 N THR B 35 -0.650 14.825 17.352 1.00 0.00 N ATOM 1588 CA THR B 35 -1.194 13.680 16.591 1.00 0.00 C ATOM 1589 C THR B 35 -2.530 13.973 15.898 1.00 0.00 C ATOM 1590 O THR B 35 -3.221 14.943 16.222 1.00 0.00 O ATOM 1591 CB THR B 35 -1.350 12.427 17.475 1.00 0.00 C ATOM 1592 OG1 THR B 35 -2.460 12.562 18.338 1.00 0.00 O ATOM 1593 CG2 THR B 35 -0.115 12.119 18.317 1.00 0.00 C ATOM 0 H THR B 35 -0.983 14.856 18.316 1.00 0.00 H new ATOM 0 HA THR B 35 -0.454 13.493 15.813 1.00 0.00 H new ATOM 0 HB THR B 35 -1.496 11.597 16.783 1.00 0.00 H new ATOM 0 HG1 THR B 35 -2.545 11.757 18.890 1.00 0.00 H new ATOM 0 HG21 THR B 35 -0.295 11.225 18.914 1.00 0.00 H new ATOM 0 HG22 THR B 35 0.740 11.951 17.662 1.00 0.00 H new ATOM 0 HG23 THR B 35 0.094 12.960 18.978 1.00 0.00 H new ATOM 1601 N LEU B 36 -2.938 13.106 14.966 1.00 0.00 N ATOM 1602 CA LEU B 36 -4.262 13.148 14.322 1.00 0.00 C ATOM 1603 C LEU B 36 -5.432 12.848 15.287 1.00 0.00 C ATOM 1604 O LEU B 36 -6.577 13.184 14.988 1.00 0.00 O ATOM 1605 CB LEU B 36 -4.257 12.243 13.071 1.00 0.00 C ATOM 1606 CG LEU B 36 -4.192 10.721 13.315 1.00 0.00 C ATOM 1607 CD1 LEU B 36 -5.577 10.090 13.488 1.00 0.00 C ATOM 1608 CD2 LEU B 36 -3.530 10.046 12.112 1.00 0.00 C ATOM 0 H LEU B 36 -2.351 12.342 14.630 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.446 14.174 14.003 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.156 12.457 12.493 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.406 12.525 12.451 1.00 0.00 H new ATOM 0 HG LEU B 36 -3.624 10.574 14.234 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.470 9.018 13.657 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.079 10.544 14.342 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.169 10.258 12.588 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.482 8.970 12.280 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.115 10.248 11.214 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.521 10.439 11.984 1.00 0.00 H new ATOM 1620 N PHE B 37 -5.143 12.255 16.454 1.00 0.00 N ATOM 1621 CA PHE B 37 -6.091 12.067 17.562 1.00 0.00 C ATOM 1622 C PHE B 37 -6.200 13.301 18.486 1.00 0.00 C ATOM 1623 O PHE B 37 -6.887 13.251 19.508 1.00 0.00 O ATOM 1624 CB PHE B 37 -5.704 10.804 18.337 1.00 0.00 C ATOM 1625 CG PHE B 37 -5.622 9.546 17.491 1.00 0.00 C ATOM 1626 CD1 PHE B 37 -6.804 8.876 17.115 1.00 0.00 C ATOM 1627 CD2 PHE B 37 -4.375 9.047 17.068 1.00 0.00 C ATOM 1628 CE1 PHE B 37 -6.736 7.715 16.323 1.00 0.00 C ATOM 1629 CE2 PHE B 37 -4.315 7.888 16.277 1.00 0.00 C ATOM 1630 CZ PHE B 37 -5.492 7.218 15.909 1.00 0.00 C ATOM 0 H PHE B 37 -4.216 11.882 16.659 1.00 0.00 H new ATOM 0 HA PHE B 37 -7.088 11.944 17.140 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -4.739 10.968 18.816 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -6.431 10.644 19.133 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -7.763 9.255 17.435 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -3.465 9.555 17.352 1.00 0.00 H new ATOM 0 HE1 PHE B 37 -7.643 7.206 16.034 1.00 0.00 H new ATOM 0 HE2 PHE B 37 -3.358 7.510 15.950 1.00 0.00 H new ATOM 0 HZ PHE B 37 -5.440 6.322 15.308 1.00 0.00 H new ATOM 1640 N ASP B 38 -5.524 14.402 18.135 1.00 0.00 N ATOM 1641 CA ASP B 38 -5.397 15.641 18.920 1.00 0.00 C ATOM 1642 C ASP B 38 -4.734 15.446 20.305 1.00 0.00 C ATOM 1643 O ASP B 38 -4.991 16.192 21.257 1.00 0.00 O ATOM 1644 CB ASP B 38 -6.742 16.395 18.936 1.00 0.00 C ATOM 1645 CG ASP B 38 -6.626 17.880 19.345 1.00 0.00 C ATOM 1646 OD1 ASP B 38 -7.644 18.435 19.832 1.00 0.00 O ATOM 1647 OD2 ASP B 38 -5.567 18.518 19.132 1.00 0.00 O1- ATOM 0 H ASP B 38 -5.023 14.458 17.248 1.00 0.00 H new ATOM 0 HA ASP B 38 -4.679 16.289 18.417 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -7.191 16.336 17.945 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -7.421 15.891 19.624 1.00 0.00 H new ATOM 1652 N GLU B 39 -3.879 14.427 20.442 1.00 0.00 N ATOM 1653 CA GLU B 39 -2.964 14.273 21.586 1.00 0.00 C ATOM 1654 C GLU B 39 -1.694 15.110 21.381 1.00 0.00 C ATOM 1655 O GLU B 39 -1.284 15.373 20.244 1.00 0.00 O ATOM 1656 CB GLU B 39 -2.597 12.799 21.824 1.00 0.00 C ATOM 1657 CG GLU B 39 -3.832 11.920 22.080 1.00 0.00 C ATOM 1658 CD GLU B 39 -3.468 10.506 22.579 1.00 0.00 C ATOM 1659 OE1 GLU B 39 -2.380 9.971 22.240 1.00 0.00 O ATOM 1660 OE2 GLU B 39 -4.280 9.901 23.320 1.00 0.00 O1- ATOM 0 H GLU B 39 -3.799 13.676 19.756 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.486 14.635 22.472 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.057 12.418 20.957 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.922 12.729 22.677 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -4.472 12.406 22.816 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -4.410 11.838 21.160 1.00 0.00 H new ATOM 1667 N GLU B 40 -1.044 15.518 22.474 1.00 0.00 N ATOM 1668 CA GLU B 40 0.182 16.332 22.450 1.00 0.00 C ATOM 1669 C GLU B 40 1.295 15.731 23.320 1.00 0.00 C ATOM 1670 O GLU B 40 1.043 15.246 24.432 1.00 0.00 O ATOM 1671 CB GLU B 40 -0.150 17.779 22.858 1.00 0.00 C ATOM 1672 CG GLU B 40 1.071 18.716 22.797 1.00 0.00 C ATOM 1673 CD GLU B 40 0.719 20.199 23.033 1.00 0.00 C ATOM 1674 OE1 GLU B 40 1.594 21.059 22.778 1.00 0.00 O ATOM 1675 OE2 GLU B 40 -0.399 20.528 23.508 1.00 0.00 O1- ATOM 0 H GLU B 40 -1.357 15.290 23.418 1.00 0.00 H new ATOM 0 HA GLU B 40 0.571 16.338 21.432 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -0.931 18.165 22.203 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -0.553 17.782 23.871 1.00 0.00 H new ATOM 0 HG2 GLU B 40 1.799 18.400 23.544 1.00 0.00 H new ATOM 0 HG3 GLU B 40 1.549 18.615 21.823 1.00 0.00 H new ATOM 1682 N HIS B 41 2.534 15.812 22.830 1.00 0.00 N ATOM 1683 CA HIS B 41 3.768 15.394 23.510 1.00 0.00 C ATOM 1684 C HIS B 41 4.788 16.541 23.484 1.00 0.00 C ATOM 1685 O HIS B 41 4.819 17.315 22.524 1.00 0.00 O ATOM 1686 CB HIS B 41 4.340 14.129 22.840 1.00 0.00 C ATOM 1687 CG HIS B 41 3.327 13.034 22.585 1.00 0.00 C ATOM 1688 ND1 HIS B 41 2.940 12.050 23.505 1.00 0.00 N ATOM 1689 CD2 HIS B 41 2.594 12.879 21.445 1.00 0.00 C ATOM 1690 CE1 HIS B 41 1.992 11.323 22.888 1.00 0.00 C ATOM 1691 NE2 HIS B 41 1.764 11.797 21.651 1.00 0.00 N ATOM 0 H HIS B 41 2.716 16.190 21.900 1.00 0.00 H new ATOM 0 HA HIS B 41 3.545 15.154 24.550 1.00 0.00 H new ATOM 0 HB2 HIS B 41 4.796 14.412 21.891 1.00 0.00 H new ATOM 0 HB3 HIS B 41 5.136 13.730 23.469 1.00 0.00 H new ATOM 0 HD2 HIS B 41 2.652 13.486 20.554 1.00 0.00 H new ATOM 0 HE1 HIS B 41 1.484 10.476 23.325 1.00 0.00 H new ATOM 0 HE2 HIS B 41 1.093 11.421 20.981 1.00 0.00 H new ATOM 1699 N ALA B 42 5.649 16.645 24.500 1.00 0.00 N ATOM 1700 CA ALA B 42 6.647 17.713 24.628 1.00 0.00 C ATOM 1701 C ALA B 42 7.983 17.222 25.216 1.00 0.00 C ATOM 1702 O ALA B 42 8.006 16.394 26.128 1.00 0.00 O ATOM 1703 CB ALA B 42 6.050 18.858 25.451 1.00 0.00 C ATOM 0 H ALA B 42 5.673 15.978 25.271 1.00 0.00 H new ATOM 0 HA ALA B 42 6.890 18.072 23.628 1.00 0.00 H new ATOM 0 HB1 ALA B 42 6.786 19.656 25.551 1.00 0.00 H new ATOM 0 HB2 ALA B 42 5.163 19.243 24.949 1.00 0.00 H new ATOM 0 HB3 ALA B 42 5.776 18.491 26.440 1.00 0.00 H new ATOM 1709 N PHE B 43 9.092 17.755 24.692 1.00 0.00 N ATOM 1710 CA PHE B 43 10.460 17.307 24.959 1.00 0.00 C ATOM 1711 C PHE B 43 11.425 18.501 25.082 1.00 0.00 C ATOM 1712 O PHE B 43 11.846 19.067 24.067 1.00 0.00 O ATOM 1713 CB PHE B 43 10.897 16.340 23.842 1.00 0.00 C ATOM 1714 CG PHE B 43 10.038 15.094 23.731 1.00 0.00 C ATOM 1715 CD1 PHE B 43 10.272 14.001 24.590 1.00 0.00 C ATOM 1716 CD2 PHE B 43 8.974 15.050 22.808 1.00 0.00 C ATOM 1717 CE1 PHE B 43 9.427 12.874 24.540 1.00 0.00 C ATOM 1718 CE2 PHE B 43 8.129 13.926 22.766 1.00 0.00 C ATOM 1719 CZ PHE B 43 8.348 12.843 23.636 1.00 0.00 C ATOM 0 H PHE B 43 9.058 18.542 24.044 1.00 0.00 H new ATOM 0 HA PHE B 43 10.488 16.783 25.914 1.00 0.00 H new ATOM 0 HB2 PHE B 43 10.876 16.869 22.889 1.00 0.00 H new ATOM 0 HB3 PHE B 43 11.930 16.042 24.018 1.00 0.00 H new ATOM 0 HD1 PHE B 43 11.098 14.027 25.286 1.00 0.00 H new ATOM 0 HD2 PHE B 43 8.808 15.877 22.134 1.00 0.00 H new ATOM 0 HE1 PHE B 43 9.607 12.034 25.195 1.00 0.00 H new ATOM 0 HE2 PHE B 43 7.309 13.895 22.063 1.00 0.00 H new ATOM 0 HZ PHE B 43 7.689 11.988 23.611 1.00 0.00 H new ATOM 1729 N PRO B 44 11.784 18.920 26.314 1.00 0.00 N ATOM 1730 CA PRO B 44 12.773 19.967 26.559 1.00 0.00 C ATOM 1731 C PRO B 44 14.177 19.614 26.039 1.00 0.00 C ATOM 1732 O PRO B 44 14.585 18.449 26.017 1.00 0.00 O ATOM 1733 CB PRO B 44 12.775 20.200 28.073 1.00 0.00 C ATOM 1734 CG PRO B 44 11.390 19.730 28.503 1.00 0.00 C ATOM 1735 CD PRO B 44 11.138 18.556 27.564 1.00 0.00 C ATOM 0 HA PRO B 44 12.504 20.870 26.010 1.00 0.00 H new ATOM 0 HB2 PRO B 44 13.564 19.632 28.566 1.00 0.00 H new ATOM 0 HB3 PRO B 44 12.938 21.250 28.318 1.00 0.00 H new ATOM 0 HG2 PRO B 44 11.371 19.425 29.549 1.00 0.00 H new ATOM 0 HG3 PRO B 44 10.641 20.513 28.385 1.00 0.00 H new ATOM 0 HD2 PRO B 44 11.554 17.633 27.968 1.00 0.00 H new ATOM 0 HD3 PRO B 44 10.070 18.389 27.421 1.00 0.00 H new ATOM 1743 N GLY B 45 14.926 20.640 25.635 1.00 0.00 N ATOM 1744 CA GLY B 45 16.324 20.560 25.203 1.00 0.00 C ATOM 1745 C GLY B 45 16.541 20.110 23.753 1.00 0.00 C ATOM 1746 O GLY B 45 17.688 19.933 23.340 1.00 0.00 O ATOM 0 H GLY B 45 14.560 21.591 25.598 1.00 0.00 H new ATOM 0 HA2 GLY B 45 16.783 21.540 25.334 1.00 0.00 H new ATOM 0 HA3 GLY B 45 16.851 19.870 25.862 1.00 0.00 H new ATOM 1750 N LEU B 46 15.471 19.905 22.977 1.00 0.00 N ATOM 1751 CA LEU B 46 15.527 19.510 21.564 1.00 0.00 C ATOM 1752 C LEU B 46 15.274 20.674 20.587 1.00 0.00 C ATOM 1753 O LEU B 46 14.743 21.726 20.953 1.00 0.00 O ATOM 1754 CB LEU B 46 14.540 18.360 21.295 1.00 0.00 C ATOM 1755 CG LEU B 46 14.754 17.082 22.131 1.00 0.00 C ATOM 1756 CD1 LEU B 46 13.795 16.006 21.629 1.00 0.00 C ATOM 1757 CD2 LEU B 46 16.172 16.512 22.019 1.00 0.00 C ATOM 0 H LEU B 46 14.517 20.012 23.323 1.00 0.00 H new ATOM 0 HA LEU B 46 16.547 19.174 21.378 1.00 0.00 H new ATOM 0 HB2 LEU B 46 13.529 18.725 21.476 1.00 0.00 H new ATOM 0 HB3 LEU B 46 14.599 18.095 20.239 1.00 0.00 H new ATOM 0 HG LEU B 46 14.580 17.356 23.172 1.00 0.00 H new ATOM 0 HD11 LEU B 46 13.934 15.095 22.211 1.00 0.00 H new ATOM 0 HD12 LEU B 46 12.768 16.354 21.739 1.00 0.00 H new ATOM 0 HD13 LEU B 46 13.997 15.800 20.578 1.00 0.00 H new ATOM 0 HD21 LEU B 46 16.253 15.614 22.632 1.00 0.00 H new ATOM 0 HD22 LEU B 46 16.382 16.262 20.979 1.00 0.00 H new ATOM 0 HD23 LEU B 46 16.891 17.254 22.366 1.00 0.00 H new ATOM 1769 N ALA B 47 15.618 20.432 19.321 1.00 0.00 N ATOM 1770 CA ALA B 47 15.239 21.201 18.137 1.00 0.00 C ATOM 1771 C ALA B 47 14.914 20.251 16.964 1.00 0.00 C ATOM 1772 O ALA B 47 15.369 19.099 16.930 1.00 0.00 O ATOM 1773 CB ALA B 47 16.383 22.158 17.778 1.00 0.00 C ATOM 0 H ALA B 47 16.210 19.637 19.080 1.00 0.00 H new ATOM 0 HA ALA B 47 14.342 21.785 18.344 1.00 0.00 H new ATOM 0 HB1 ALA B 47 16.110 22.737 16.896 1.00 0.00 H new ATOM 0 HB2 ALA B 47 16.567 22.834 18.613 1.00 0.00 H new ATOM 0 HB3 ALA B 47 17.286 21.584 17.570 1.00 0.00 H new ATOM 1779 N ILE B 48 14.130 20.725 15.991 1.00 0.00 N ATOM 1780 CA ILE B 48 13.835 19.983 14.751 1.00 0.00 C ATOM 1781 C ILE B 48 15.103 19.961 13.878 1.00 0.00 C ATOM 1782 O ILE B 48 15.584 21.014 13.449 1.00 0.00 O ATOM 1783 CB ILE B 48 12.625 20.590 14.000 1.00 0.00 C ATOM 1784 CG1 ILE B 48 11.347 20.597 14.880 1.00 0.00 C ATOM 1785 CG2 ILE B 48 12.369 19.806 12.695 1.00 0.00 C ATOM 1786 CD1 ILE B 48 10.238 21.501 14.331 1.00 0.00 C ATOM 0 H ILE B 48 13.678 21.638 16.037 1.00 0.00 H new ATOM 0 HA ILE B 48 13.554 18.959 14.997 1.00 0.00 H new ATOM 0 HB ILE B 48 12.865 21.626 13.761 1.00 0.00 H new ATOM 0 HG12 ILE B 48 10.967 19.579 14.965 1.00 0.00 H new ATOM 0 HG13 ILE B 48 11.609 20.925 15.886 1.00 0.00 H new ATOM 0 HG21 ILE B 48 11.516 20.239 12.172 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.252 19.862 12.058 1.00 0.00 H new ATOM 0 HG23 ILE B 48 12.158 18.763 12.932 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.374 21.460 14.994 1.00 0.00 H new ATOM 0 HD12 ILE B 48 10.601 22.527 14.272 1.00 0.00 H new ATOM 0 HD13 ILE B 48 9.950 21.160 13.337 1.00 0.00 H new ATOM 1798 N GLY B 49 15.681 18.774 13.657 1.00 0.00 N ATOM 1799 CA GLY B 49 16.979 18.593 12.991 1.00 0.00 C ATOM 1800 C GLY B 49 16.866 18.286 11.495 1.00 0.00 C ATOM 1801 O GLY B 49 17.525 18.934 10.679 1.00 0.00 O ATOM 0 H GLY B 49 15.251 17.894 13.942 1.00 0.00 H new ATOM 0 HA2 GLY B 49 17.574 19.496 13.123 1.00 0.00 H new ATOM 0 HA3 GLY B 49 17.518 17.781 13.480 1.00 0.00 H new ATOM 1805 N ARG B 50 16.023 17.314 11.119 1.00 0.00 N ATOM 1806 CA ARG B 50 15.825 16.869 9.731 1.00 0.00 C ATOM 1807 C ARG B 50 14.400 16.375 9.490 1.00 0.00 C ATOM 1808 O ARG B 50 13.786 15.806 10.392 1.00 0.00 O ATOM 1809 CB ARG B 50 16.878 15.788 9.392 1.00 0.00 C ATOM 1810 CG ARG B 50 16.745 15.197 7.977 1.00 0.00 C ATOM 1811 CD ARG B 50 17.894 14.257 7.609 1.00 0.00 C ATOM 1812 NE ARG B 50 17.661 13.684 6.270 1.00 0.00 N ATOM 1813 CZ ARG B 50 18.526 13.384 5.327 1.00 0.00 C ATOM 1814 NH1 ARG B 50 19.819 13.469 5.484 1.00 0.00 N1+ ATOM 1815 NH2 ARG B 50 18.058 12.986 4.186 1.00 0.00 N ATOM 0 H ARG B 50 15.446 16.803 11.787 1.00 0.00 H new ATOM 0 HA ARG B 50 15.964 17.719 9.062 1.00 0.00 H new ATOM 0 HB2 ARG B 50 17.873 16.220 9.501 1.00 0.00 H new ATOM 0 HB3 ARG B 50 16.800 14.980 10.120 1.00 0.00 H new ATOM 0 HG2 ARG B 50 15.802 14.655 7.903 1.00 0.00 H new ATOM 0 HG3 ARG B 50 16.703 16.010 7.253 1.00 0.00 H new ATOM 0 HD2 ARG B 50 18.839 14.800 7.623 1.00 0.00 H new ATOM 0 HD3 ARG B 50 17.974 13.459 8.347 1.00 0.00 H new ATOM 0 HE ARG B 50 16.685 13.492 6.042 1.00 0.00 H new ATOM 0 HH11 ARG B 50 20.205 13.782 6.375 1.00 0.00 H new ATOM 0 HH12 ARG B 50 20.443 13.223 4.716 1.00 0.00 H new ATOM 0 HH21 ARG B 50 17.050 12.915 4.045 1.00 0.00 H new ATOM 0 HH22 ARG B 50 18.697 12.744 3.429 1.00 0.00 H new ATOM 1829 N VAL B 51 13.906 16.516 8.260 1.00 0.00 N ATOM 1830 CA VAL B 51 12.689 15.847 7.768 1.00 0.00 C ATOM 1831 C VAL B 51 12.957 15.183 6.420 1.00 0.00 C ATOM 1832 O VAL B 51 13.474 15.839 5.515 1.00 0.00 O ATOM 1833 CB VAL B 51 11.483 16.796 7.637 1.00 0.00 C ATOM 1834 CG1 VAL B 51 10.182 16.002 7.476 1.00 0.00 C ATOM 1835 CG2 VAL B 51 11.328 17.751 8.824 1.00 0.00 C ATOM 0 H VAL B 51 14.346 17.111 7.558 1.00 0.00 H new ATOM 0 HA VAL B 51 12.431 15.098 8.516 1.00 0.00 H new ATOM 0 HB VAL B 51 11.679 17.397 6.749 1.00 0.00 H new ATOM 0 HG11 VAL B 51 9.343 16.692 7.385 1.00 0.00 H new ATOM 0 HG12 VAL B 51 10.242 15.384 6.580 1.00 0.00 H new ATOM 0 HG13 VAL B 51 10.035 15.365 8.348 1.00 0.00 H new ATOM 0 HG21 VAL B 51 10.459 18.390 8.666 1.00 0.00 H new ATOM 0 HG22 VAL B 51 11.192 17.175 9.739 1.00 0.00 H new ATOM 0 HG23 VAL B 51 12.222 18.369 8.913 1.00 0.00 H new ATOM 1845 N ASP B 52 12.554 13.920 6.261 1.00 0.00 N ATOM 1846 CA ASP B 52 12.406 13.242 4.962 1.00 0.00 C ATOM 1847 C ASP B 52 10.909 13.050 4.669 1.00 0.00 C ATOM 1848 O ASP B 52 10.270 12.124 5.178 1.00 0.00 O ATOM 1849 CB ASP B 52 13.157 11.898 4.957 1.00 0.00 C ATOM 1850 CG ASP B 52 14.670 12.016 5.202 1.00 0.00 C ATOM 1851 OD1 ASP B 52 15.266 11.063 5.758 1.00 0.00 O ATOM 1852 OD2 ASP B 52 15.301 13.024 4.799 1.00 0.00 O1- ATOM 0 H ASP B 52 12.314 13.321 7.051 1.00 0.00 H new ATOM 0 HA ASP B 52 12.846 13.856 4.176 1.00 0.00 H new ATOM 0 HB2 ASP B 52 12.726 11.252 5.722 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.994 11.408 3.997 1.00 0.00 H new ATOM 1857 N LEU B 53 10.331 13.923 3.836 1.00 0.00 N ATOM 1858 CA LEU B 53 8.896 13.922 3.505 1.00 0.00 C ATOM 1859 C LEU B 53 8.463 12.653 2.744 1.00 0.00 C ATOM 1860 O LEU B 53 7.300 12.247 2.834 1.00 0.00 O ATOM 1861 CB LEU B 53 8.525 15.178 2.677 1.00 0.00 C ATOM 1862 CG LEU B 53 8.548 16.560 3.355 1.00 0.00 C ATOM 1863 CD1 LEU B 53 7.665 16.595 4.604 1.00 0.00 C ATOM 1864 CD2 LEU B 53 9.945 17.081 3.690 1.00 0.00 C ATOM 0 H LEU B 53 10.852 14.662 3.364 1.00 0.00 H new ATOM 0 HA LEU B 53 8.360 13.936 4.454 1.00 0.00 H new ATOM 0 HB2 LEU B 53 9.202 15.220 1.824 1.00 0.00 H new ATOM 0 HB3 LEU B 53 7.522 15.024 2.280 1.00 0.00 H new ATOM 0 HG LEU B 53 8.141 17.235 2.602 1.00 0.00 H new ATOM 0 HD11 LEU B 53 7.709 17.587 5.053 1.00 0.00 H new ATOM 0 HD12 LEU B 53 6.635 16.367 4.328 1.00 0.00 H new ATOM 0 HD13 LEU B 53 8.021 15.856 5.322 1.00 0.00 H new ATOM 0 HD21 LEU B 53 9.864 18.059 4.164 1.00 0.00 H new ATOM 0 HD22 LEU B 53 10.439 16.387 4.371 1.00 0.00 H new ATOM 0 HD23 LEU B 53 10.530 17.169 2.774 1.00 0.00 H new ATOM 1876 N ARG B 54 9.407 11.975 2.073 1.00 0.00 N ATOM 1877 CA ARG B 54 9.190 10.738 1.289 1.00 0.00 C ATOM 1878 C ARG B 54 8.533 9.608 2.098 1.00 0.00 C ATOM 1879 O ARG B 54 7.801 8.797 1.530 1.00 0.00 O ATOM 1880 CB ARG B 54 10.529 10.253 0.698 1.00 0.00 C ATOM 1881 CG ARG B 54 11.306 11.333 -0.067 1.00 0.00 C ATOM 1882 CD ARG B 54 12.587 10.795 -0.731 1.00 0.00 C ATOM 1883 NE ARG B 54 12.299 9.895 -1.868 1.00 0.00 N ATOM 1884 CZ ARG B 54 12.971 9.796 -2.999 1.00 0.00 C ATOM 1885 NH1 ARG B 54 14.029 10.513 -3.255 1.00 0.00 N1+ ATOM 1886 NH2 ARG B 54 12.593 8.950 -3.914 1.00 0.00 N ATOM 0 H ARG B 54 10.380 12.280 2.058 1.00 0.00 H new ATOM 0 HA ARG B 54 8.493 10.992 0.491 1.00 0.00 H new ATOM 0 HB2 ARG B 54 11.155 9.875 1.507 1.00 0.00 H new ATOM 0 HB3 ARG B 54 10.335 9.416 0.027 1.00 0.00 H new ATOM 0 HG2 ARG B 54 10.660 11.764 -0.832 1.00 0.00 H new ATOM 0 HG3 ARG B 54 11.569 12.138 0.619 1.00 0.00 H new ATOM 0 HD2 ARG B 54 13.192 11.633 -1.079 1.00 0.00 H new ATOM 0 HD3 ARG B 54 13.180 10.260 0.011 1.00 0.00 H new ATOM 0 HE ARG B 54 11.490 9.282 -1.767 1.00 0.00 H new ATOM 0 HH11 ARG B 54 14.369 11.184 -2.567 1.00 0.00 H new ATOM 0 HH12 ARG B 54 14.517 10.403 -4.144 1.00 0.00 H new ATOM 0 HH21 ARG B 54 11.775 8.361 -3.757 1.00 0.00 H new ATOM 0 HH22 ARG B 54 13.115 8.876 -4.787 1.00 0.00 H new ATOM 1900 N SER B 55 8.764 9.584 3.416 1.00 0.00 N ATOM 1901 CA SER B 55 8.151 8.668 4.403 1.00 0.00 C ATOM 1902 C SER B 55 7.648 9.405 5.671 1.00 0.00 C ATOM 1903 O SER B 55 7.288 8.788 6.679 1.00 0.00 O ATOM 1904 CB SER B 55 9.160 7.553 4.715 1.00 0.00 C ATOM 1905 OG SER B 55 8.591 6.477 5.456 1.00 0.00 O ATOM 0 H SER B 55 9.417 10.235 3.852 1.00 0.00 H new ATOM 0 HA SER B 55 7.251 8.224 3.977 1.00 0.00 H new ATOM 0 HB2 SER B 55 9.567 7.168 3.780 1.00 0.00 H new ATOM 0 HB3 SER B 55 9.994 7.973 5.277 1.00 0.00 H new ATOM 0 HG SER B 55 9.277 5.797 5.624 1.00 0.00 H new ATOM 1911 N GLY B 56 7.626 10.746 5.648 1.00 0.00 N ATOM 1912 CA GLY B 56 7.236 11.593 6.781 1.00 0.00 C ATOM 1913 C GLY B 56 8.137 11.459 8.016 1.00 0.00 C ATOM 1914 O GLY B 56 7.658 11.623 9.136 1.00 0.00 O ATOM 0 H GLY B 56 7.885 11.283 4.820 1.00 0.00 H new ATOM 0 HA2 GLY B 56 7.237 12.634 6.457 1.00 0.00 H new ATOM 0 HA3 GLY B 56 6.213 11.349 7.065 1.00 0.00 H new ATOM 1918 N VAL B 57 9.408 11.084 7.865 1.00 0.00 N ATOM 1919 CA VAL B 57 10.313 10.851 9.007 1.00 0.00 C ATOM 1920 C VAL B 57 10.879 12.179 9.507 1.00 0.00 C ATOM 1921 O VAL B 57 11.581 12.870 8.770 1.00 0.00 O ATOM 1922 CB VAL B 57 11.446 9.871 8.645 1.00 0.00 C ATOM 1923 CG1 VAL B 57 12.443 9.685 9.797 1.00 0.00 C ATOM 1924 CG2 VAL B 57 10.873 8.488 8.306 1.00 0.00 C ATOM 0 H VAL B 57 9.844 10.932 6.955 1.00 0.00 H new ATOM 0 HA VAL B 57 9.734 10.391 9.808 1.00 0.00 H new ATOM 0 HB VAL B 57 11.961 10.304 7.787 1.00 0.00 H new ATOM 0 HG11 VAL B 57 13.223 8.986 9.494 1.00 0.00 H new ATOM 0 HG12 VAL B 57 12.894 10.645 10.047 1.00 0.00 H new ATOM 0 HG13 VAL B 57 11.922 9.291 10.669 1.00 0.00 H new ATOM 0 HG21 VAL B 57 11.687 7.809 8.053 1.00 0.00 H new ATOM 0 HG22 VAL B 57 10.330 8.098 9.167 1.00 0.00 H new ATOM 0 HG23 VAL B 57 10.195 8.573 7.457 1.00 0.00 H new ATOM 1934 N ILE B 58 10.601 12.533 10.763 1.00 0.00 N ATOM 1935 CA ILE B 58 11.127 13.722 11.456 1.00 0.00 C ATOM 1936 C ILE B 58 12.180 13.281 12.480 1.00 0.00 C ATOM 1937 O ILE B 58 11.875 12.504 13.386 1.00 0.00 O ATOM 1938 CB ILE B 58 9.975 14.512 12.120 1.00 0.00 C ATOM 1939 CG1 ILE B 58 9.014 15.077 11.049 1.00 0.00 C ATOM 1940 CG2 ILE B 58 10.523 15.647 13.012 1.00 0.00 C ATOM 1941 CD1 ILE B 58 7.748 15.728 11.618 1.00 0.00 C ATOM 0 H ILE B 58 9.979 11.981 11.353 1.00 0.00 H new ATOM 0 HA ILE B 58 11.603 14.391 10.738 1.00 0.00 H new ATOM 0 HB ILE B 58 9.417 13.824 12.755 1.00 0.00 H new ATOM 0 HG12 ILE B 58 9.549 15.813 10.450 1.00 0.00 H new ATOM 0 HG13 ILE B 58 8.723 14.270 10.377 1.00 0.00 H new ATOM 0 HG21 ILE B 58 9.692 16.186 13.466 1.00 0.00 H new ATOM 0 HG22 ILE B 58 11.152 15.223 13.795 1.00 0.00 H new ATOM 0 HG23 ILE B 58 11.113 16.334 12.405 1.00 0.00 H new ATOM 0 HD11 ILE B 58 7.130 16.098 10.800 1.00 0.00 H new ATOM 0 HD12 ILE B 58 7.187 14.991 12.193 1.00 0.00 H new ATOM 0 HD13 ILE B 58 8.026 16.559 12.267 1.00 0.00 H new ATOM 1953 N SER B 59 13.402 13.794 12.364 1.00 0.00 N ATOM 1954 CA SER B 59 14.494 13.561 13.317 1.00 0.00 C ATOM 1955 C SER B 59 14.751 14.806 14.166 1.00 0.00 C ATOM 1956 O SER B 59 15.000 15.896 13.630 1.00 0.00 O ATOM 1957 CB SER B 59 15.760 13.151 12.559 1.00 0.00 C ATOM 1958 OG SER B 59 16.807 12.842 13.467 1.00 0.00 O ATOM 0 H SER B 59 13.671 14.398 11.588 1.00 0.00 H new ATOM 0 HA SER B 59 14.207 12.754 13.991 1.00 0.00 H new ATOM 0 HB2 SER B 59 15.550 12.286 11.930 1.00 0.00 H new ATOM 0 HB3 SER B 59 16.072 13.959 11.897 1.00 0.00 H new ATOM 0 HG SER B 59 17.608 12.580 12.966 1.00 0.00 H new ATOM 1964 N LEU B 60 14.667 14.660 15.492 1.00 0.00 N ATOM 1965 CA LEU B 60 14.995 15.704 16.466 1.00 0.00 C ATOM 1966 C LEU B 60 16.437 15.559 16.982 1.00 0.00 C ATOM 1967 O LEU B 60 16.952 14.446 17.133 1.00 0.00 O ATOM 1968 CB LEU B 60 13.986 15.696 17.625 1.00 0.00 C ATOM 1969 CG LEU B 60 12.499 15.740 17.218 1.00 0.00 C ATOM 1970 CD1 LEU B 60 11.630 15.844 18.474 1.00 0.00 C ATOM 1971 CD2 LEU B 60 12.156 16.922 16.308 1.00 0.00 C ATOM 0 H LEU B 60 14.361 13.790 15.928 1.00 0.00 H new ATOM 0 HA LEU B 60 14.928 16.668 15.962 1.00 0.00 H new ATOM 0 HB2 LEU B 60 14.154 14.800 18.222 1.00 0.00 H new ATOM 0 HB3 LEU B 60 14.193 16.551 18.268 1.00 0.00 H new ATOM 0 HG LEU B 60 12.304 14.822 16.664 1.00 0.00 H new ATOM 0 HD11 LEU B 60 10.579 15.875 18.188 1.00 0.00 H new ATOM 0 HD12 LEU B 60 11.807 14.978 19.112 1.00 0.00 H new ATOM 0 HD13 LEU B 60 11.885 16.753 19.018 1.00 0.00 H new ATOM 0 HD21 LEU B 60 11.095 16.894 16.059 1.00 0.00 H new ATOM 0 HD22 LEU B 60 12.383 17.855 16.823 1.00 0.00 H new ATOM 0 HD23 LEU B 60 12.745 16.860 15.393 1.00 0.00 H new ATOM 1983 N ILE B 61 17.068 16.691 17.291 1.00 0.00 N ATOM 1984 CA ILE B 61 18.468 16.811 17.743 1.00 0.00 C ATOM 1985 C ILE B 61 18.561 17.669 19.010 1.00 0.00 C ATOM 1986 O ILE B 61 17.664 18.453 19.313 1.00 0.00 O ATOM 1987 CB ILE B 61 19.384 17.344 16.612 1.00 0.00 C ATOM 1988 CG1 ILE B 61 19.032 18.787 16.176 1.00 0.00 C ATOM 1989 CG2 ILE B 61 19.369 16.381 15.407 1.00 0.00 C ATOM 1990 CD1 ILE B 61 19.944 19.858 16.781 1.00 0.00 C ATOM 0 H ILE B 61 16.602 17.596 17.233 1.00 0.00 H new ATOM 0 HA ILE B 61 18.828 15.814 17.997 1.00 0.00 H new ATOM 0 HB ILE B 61 20.394 17.388 17.018 1.00 0.00 H new ATOM 0 HG12 ILE B 61 19.085 18.851 15.089 1.00 0.00 H new ATOM 0 HG13 ILE B 61 18.001 19.000 16.458 1.00 0.00 H new ATOM 0 HG21 ILE B 61 20.017 16.770 14.622 1.00 0.00 H new ATOM 0 HG22 ILE B 61 19.727 15.400 15.720 1.00 0.00 H new ATOM 0 HG23 ILE B 61 18.352 16.291 15.026 1.00 0.00 H new ATOM 0 HD11 ILE B 61 19.634 20.842 16.428 1.00 0.00 H new ATOM 0 HD12 ILE B 61 19.874 19.824 17.868 1.00 0.00 H new ATOM 0 HD13 ILE B 61 20.974 19.672 16.478 1.00 0.00 H new ATOM 2002 N GLU B 62 19.651 17.525 19.758 1.00 0.00 N ATOM 2003 CA GLU B 62 19.903 18.286 20.990 1.00 0.00 C ATOM 2004 C GLU B 62 20.256 19.753 20.681 1.00 0.00 C ATOM 2005 O GLU B 62 21.251 20.025 20.002 1.00 0.00 O ATOM 2006 CB GLU B 62 21.026 17.630 21.815 1.00 0.00 C ATOM 2007 CG GLU B 62 20.665 16.220 22.312 1.00 0.00 C ATOM 2008 CD GLU B 62 21.825 15.578 23.105 1.00 0.00 C ATOM 2009 OE1 GLU B 62 22.149 14.393 22.852 1.00 0.00 O ATOM 2010 OE2 GLU B 62 22.428 16.239 23.984 1.00 0.00 O1- ATOM 0 H GLU B 62 20.397 16.869 19.527 1.00 0.00 H new ATOM 0 HA GLU B 62 18.985 18.276 21.577 1.00 0.00 H new ATOM 0 HB2 GLU B 62 21.930 17.574 21.208 1.00 0.00 H new ATOM 0 HB3 GLU B 62 21.256 18.263 22.672 1.00 0.00 H new ATOM 0 HG2 GLU B 62 19.778 16.273 22.944 1.00 0.00 H new ATOM 0 HG3 GLU B 62 20.413 15.588 21.461 1.00 0.00 H new ATOM 2017 N GLU B 63 19.464 20.701 21.185 1.00 0.00 N ATOM 2018 CA GLU B 63 19.636 22.143 20.968 1.00 0.00 C ATOM 2019 C GLU B 63 20.867 22.709 21.713 1.00 0.00 C ATOM 2020 O GLU B 63 21.177 22.299 22.836 1.00 0.00 O ATOM 2021 CB GLU B 63 18.313 22.850 21.319 1.00 0.00 C ATOM 2022 CG GLU B 63 18.226 24.324 20.886 1.00 0.00 C ATOM 2023 CD GLU B 63 18.399 25.303 22.055 1.00 0.00 C ATOM 2024 OE1 GLU B 63 19.277 25.093 22.920 1.00 0.00 O ATOM 2025 OE2 GLU B 63 17.659 26.310 22.123 1.00 0.00 O1- ATOM 0 H GLU B 63 18.660 20.482 21.774 1.00 0.00 H new ATOM 0 HA GLU B 63 19.856 22.335 19.918 1.00 0.00 H new ATOM 0 HB2 GLU B 63 17.492 22.302 20.856 1.00 0.00 H new ATOM 0 HB3 GLU B 63 18.164 22.795 22.397 1.00 0.00 H new ATOM 0 HG2 GLU B 63 18.992 24.523 20.136 1.00 0.00 H new ATOM 0 HG3 GLU B 63 17.261 24.501 20.411 1.00 0.00 H new ATOM 2032 N GLN B 64 21.604 23.613 21.055 1.00 0.00 N ATOM 2033 CA GLN B 64 22.967 24.020 21.445 1.00 0.00 C ATOM 2034 C GLN B 64 23.053 25.434 22.057 1.00 0.00 C ATOM 2035 O GLN B 64 24.147 25.998 22.154 1.00 0.00 O ATOM 2036 CB GLN B 64 23.904 23.852 20.227 1.00 0.00 C ATOM 2037 CG GLN B 64 23.998 22.407 19.703 1.00 0.00 C ATOM 2038 CD GLN B 64 24.555 21.423 20.739 1.00 0.00 C ATOM 2039 OE1 GLN B 64 25.583 21.643 21.364 1.00 0.00 O ATOM 2040 NE2 GLN B 64 23.906 20.301 20.963 1.00 0.00 N ATOM 0 H GLN B 64 21.267 24.093 20.221 1.00 0.00 H new ATOM 0 HA GLN B 64 23.290 23.364 22.254 1.00 0.00 H new ATOM 0 HB2 GLN B 64 23.555 24.498 19.421 1.00 0.00 H new ATOM 0 HB3 GLN B 64 24.902 24.194 20.500 1.00 0.00 H new ATOM 0 HG2 GLN B 64 23.007 22.075 19.392 1.00 0.00 H new ATOM 0 HG3 GLN B 64 24.633 22.389 18.817 1.00 0.00 H new ATOM 0 HE21 GLN B 64 23.047 20.098 20.452 1.00 0.00 H new ATOM 0 HE22 GLN B 64 24.262 19.634 21.647 1.00 0.00 H new ATOM 2049 N ASN B 65 21.922 26.035 22.442 1.00 0.00 N ATOM 2050 CA ASN B 65 21.815 27.398 22.990 1.00 0.00 C ATOM 2051 C ASN B 65 21.545 27.420 24.524 1.00 0.00 C ATOM 2052 O ASN B 65 21.256 28.479 25.090 1.00 0.00 O ATOM 2053 CB ASN B 65 20.737 28.156 22.188 1.00 0.00 C ATOM 2054 CG ASN B 65 21.007 29.652 22.033 1.00 0.00 C ATOM 2055 OD1 ASN B 65 21.974 30.219 22.523 1.00 0.00 O ATOM 2056 ND2 ASN B 65 20.188 30.336 21.265 1.00 0.00 N ATOM 0 H ASN B 65 21.017 25.569 22.379 1.00 0.00 H new ATOM 0 HA ASN B 65 22.775 27.902 22.879 1.00 0.00 H new ATOM 0 HB2 ASN B 65 20.656 27.709 21.197 1.00 0.00 H new ATOM 0 HB3 ASN B 65 19.773 28.021 22.679 1.00 0.00 H new ATOM 0 HD21 ASN B 65 20.363 31.325 21.085 1.00 0.00 H new ATOM 0 HD22 ASN B 65 19.377 29.878 20.849 1.00 0.00 H new ATOM 2063 N ARG B 66 21.617 26.259 25.192 1.00 0.00 N ATOM 2064 CA ARG B 66 21.417 26.083 26.647 1.00 0.00 C ATOM 2065 C ARG B 66 22.489 26.785 27.494 1.00 0.00 C ATOM 2066 O ARG B 66 23.693 26.684 27.164 1.00 0.00 O ATOM 2067 CB ARG B 66 21.361 24.588 26.996 1.00 0.00 C ATOM 2068 CG ARG B 66 20.264 23.754 26.308 1.00 0.00 C ATOM 2069 CD ARG B 66 18.836 24.269 26.545 1.00 0.00 C ATOM 2070 NE ARG B 66 18.456 25.316 25.584 1.00 0.00 N ATOM 2071 CZ ARG B 66 17.664 26.350 25.768 1.00 0.00 C ATOM 2072 NH1 ARG B 66 17.109 26.619 26.912 1.00 0.00 N1+ ATOM 2073 NH2 ARG B 66 17.384 27.130 24.774 1.00 0.00 N ATOM 2074 OXT ARG B 66 22.119 27.428 28.505 1.00 0.00 O1- ATOM 0 H ARG B 66 21.824 25.379 24.719 1.00 0.00 H new ATOM 0 HA ARG B 66 20.466 26.557 26.892 1.00 0.00 H new ATOM 0 HB2 ARG B 66 22.327 24.146 26.752 1.00 0.00 H new ATOM 0 HB3 ARG B 66 21.232 24.496 28.074 1.00 0.00 H new ATOM 0 HG2 ARG B 66 20.457 23.735 25.235 1.00 0.00 H new ATOM 0 HG3 ARG B 66 20.330 22.725 26.662 1.00 0.00 H new ATOM 0 HD2 ARG B 66 18.135 23.438 26.470 1.00 0.00 H new ATOM 0 HD3 ARG B 66 18.757 24.662 27.558 1.00 0.00 H new ATOM 0 HE ARG B 66 18.860 25.229 24.652 1.00 0.00 H new ATOM 0 HH11 ARG B 66 17.281 26.016 27.716 1.00 0.00 H new ATOM 0 HH12 ARG B 66 16.502 27.433 27.005 1.00 0.00 H new ATOM 0 HH21 ARG B 66 17.777 26.942 23.852 1.00 0.00 H new ATOM 0 HH22 ARG B 66 16.770 27.933 24.913 1.00 0.00 H new TER 2088 ARG B 66