USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 TYR OH : rot 15:sc= 0.302 USER MOD Set 1.2: A 99 HIS : no HD1:sc= 0 X(o=0.3,f=0.35) USER MOD Set 2.1: A 44 TYR OH : rot 26:sc= 1.03 USER MOD Set 2.2: B 105 A O2' : rot -57:sc= 1.2 USER MOD Set 3.1: A 37 TYR OH : rot 90:sc= 0.704 USER MOD Set 3.2: A 75 MET CE :methyl -130:sc= -0.904 (180deg=-8.63!) USER MOD Set 4.1: A 22 THR OG1 : rot -52:sc= 1.18 USER MOD Set 4.2: A 25 THR OG1 : rot -90:sc= 0.827 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= -0.0437 USER MOD Single : A 13 MET CE :methyl -147:sc= -0.146 (180deg=-1.59) USER MOD Single : A 14 THR OG1 : rot 140:sc= 0.00117 USER MOD Single : A 15 SER OG : rot 180:sc= -0.135 USER MOD Single : A 17 LYS NZ :NH3+ -158:sc= 1.02 (180deg=0.275) USER MOD Single : A 20 ASN : amide:sc= 1.31 K(o=1.3,f=-2.7!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=-0.38) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -144:sc=-0.00557 (180deg=-1.15) USER MOD Single : A 88 GLN : amide:sc= -0.629 K(o=-0.63,f=-2.9) USER MOD Single : A 89 MET CE :methyl 180:sc= -0.25 (180deg=-0.25) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 140:sc= 0 USER MOD Single : A 100 HIS : no HE2:sc= -0.464 K(o=-0.46,f=-1.3) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : B 102 U O2' : rot -136:sc= 1.45 USER MOD Single : B 102 U O5' : rot 180:sc= 0 USER MOD Single : B 103 C O2' : rot 8:sc= 0.257 USER MOD Single : B 104 C O2' : rot 97:sc= 1.84 USER MOD Single : B 106 G O2' : rot 49:sc= 0.692 USER MOD Single : B 107 U O2' : rot 31:sc= 0.272 USER MOD Single : B 107 U O3' : rot -90:sc= -0.693 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.794 21.661 4.792 1.00 0.00 N ATOM 2 CA MET A 1 -5.041 20.792 3.624 1.00 0.00 C ATOM 3 C MET A 1 -3.880 19.828 3.417 1.00 0.00 C ATOM 4 O MET A 1 -2.827 20.220 2.916 1.00 0.00 O ATOM 5 CB MET A 1 -5.286 21.631 2.367 1.00 0.00 C ATOM 6 CG MET A 1 -5.540 20.753 1.136 1.00 0.00 C ATOM 7 SD MET A 1 -6.941 19.612 1.310 1.00 0.00 S ATOM 8 CE MET A 1 -6.846 18.783 -0.297 1.00 0.00 C ATOM 0 H1 MET A 1 -5.596 22.311 4.917 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.687 21.075 5.644 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.924 22.210 4.638 1.00 0.00 H new ATOM 0 HA MET A 1 -5.939 20.205 3.818 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.142 22.286 2.529 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.424 22.272 2.184 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.716 21.397 0.275 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.640 20.176 0.924 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.639 18.039 -0.370 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.963 19.518 -1.093 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.878 18.292 -0.396 1.00 0.00 H new ATOM 18 N SER A 2 -4.077 18.564 3.807 1.00 0.00 N ATOM 19 CA SER A 2 -3.080 17.514 3.613 1.00 0.00 C ATOM 20 C SER A 2 -3.758 16.163 3.393 1.00 0.00 C ATOM 21 O SER A 2 -3.176 15.280 2.765 1.00 0.00 O ATOM 22 CB SER A 2 -2.170 17.428 4.842 1.00 0.00 C ATOM 23 OG SER A 2 -1.547 18.673 5.086 1.00 0.00 O ATOM 0 H SER A 2 -4.931 18.244 4.264 1.00 0.00 H new ATOM 0 HA SER A 2 -2.487 17.761 2.732 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.753 17.130 5.713 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.412 16.660 4.688 1.00 0.00 H new ATOM 0 HG SER A 2 -0.971 18.601 5.875 1.00 0.00 H new ATOM 29 N TYR A 3 -4.982 16.003 3.906 1.00 0.00 N ATOM 30 CA TYR A 3 -5.783 14.797 3.747 1.00 0.00 C ATOM 31 C TYR A 3 -7.255 15.184 3.669 1.00 0.00 C ATOM 32 O TYR A 3 -7.600 16.345 3.885 1.00 0.00 O ATOM 33 CB TYR A 3 -5.549 13.839 4.921 1.00 0.00 C ATOM 34 CG TYR A 3 -4.077 13.579 5.132 1.00 0.00 C ATOM 35 CD1 TYR A 3 -3.416 12.623 4.345 1.00 0.00 C ATOM 36 CD2 TYR A 3 -3.364 14.308 6.095 1.00 0.00 C ATOM 37 CE1 TYR A 3 -2.035 12.424 4.483 1.00 0.00 C ATOM 38 CE2 TYR A 3 -1.980 14.131 6.231 1.00 0.00 C ATOM 39 CZ TYR A 3 -1.308 13.200 5.413 1.00 0.00 C ATOM 40 OH TYR A 3 0.043 13.049 5.523 1.00 0.00 O ATOM 0 H TYR A 3 -5.448 16.726 4.454 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.490 14.288 2.829 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -5.980 14.261 5.829 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.064 12.897 4.732 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.974 12.038 3.629 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.883 15.008 6.734 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.530 11.682 3.882 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.430 14.707 6.961 1.00 0.00 H new ATOM 0 HH TYR A 3 0.386 13.660 6.209 1.00 0.00 H new ATOM 50 N GLY A 4 -8.122 14.222 3.365 1.00 0.00 N ATOM 51 CA GLY A 4 -9.540 14.493 3.242 1.00 0.00 C ATOM 52 C GLY A 4 -10.346 13.209 3.131 1.00 0.00 C ATOM 53 O GLY A 4 -9.779 12.123 3.028 1.00 0.00 O ATOM 0 H GLY A 4 -7.861 13.250 3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.879 15.063 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.718 15.112 2.363 1.00 0.00 H new ATOM 57 N ARG A 5 -11.672 13.345 3.152 1.00 0.00 N ATOM 58 CA ARG A 5 -12.597 12.234 3.080 1.00 0.00 C ATOM 59 C ARG A 5 -12.304 11.327 1.886 1.00 0.00 C ATOM 60 O ARG A 5 -11.781 11.781 0.865 1.00 0.00 O ATOM 61 CB ARG A 5 -14.021 12.798 3.015 1.00 0.00 C ATOM 62 CG ARG A 5 -14.246 13.562 1.702 1.00 0.00 C ATOM 63 CD ARG A 5 -15.625 14.206 1.668 1.00 0.00 C ATOM 64 NE ARG A 5 -16.690 13.201 1.648 1.00 0.00 N ATOM 65 CZ ARG A 5 -17.969 13.463 1.930 1.00 0.00 C ATOM 66 NH1 ARG A 5 -18.353 14.700 2.240 1.00 0.00 N ATOM 67 NH2 ARG A 5 -18.871 12.487 1.902 1.00 0.00 N ATOM 0 H ARG A 5 -12.134 14.252 3.221 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.484 11.612 3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.743 11.985 3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.193 13.463 3.862 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.481 14.330 1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.140 12.880 0.859 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.748 14.850 2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.708 14.842 0.787 1.00 0.00 H new ATOM 0 HE ARG A 5 -16.440 12.243 1.404 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -17.668 15.456 2.263 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -19.332 14.892 2.454 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -18.587 11.537 1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -19.847 12.689 2.118 1.00 0.00 H new ATOM 81 N PRO A 6 -12.644 10.042 2.015 1.00 0.00 N ATOM 82 CA PRO A 6 -12.506 9.058 0.964 1.00 0.00 C ATOM 83 C PRO A 6 -13.556 9.298 -0.124 1.00 0.00 C ATOM 84 O PRO A 6 -14.589 9.916 0.142 1.00 0.00 O ATOM 85 CB PRO A 6 -12.722 7.714 1.664 1.00 0.00 C ATOM 86 CG PRO A 6 -13.649 8.063 2.826 1.00 0.00 C ATOM 87 CD PRO A 6 -13.196 9.466 3.220 1.00 0.00 C ATOM 0 HA PRO A 6 -11.537 9.101 0.467 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.174 6.981 0.996 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.782 7.288 2.014 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.696 8.047 2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.544 7.359 3.651 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -14.032 10.059 3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.452 9.430 4.015 1.00 0.00 H new ATOM 95 N PRO A 7 -13.309 8.818 -1.348 1.00 0.00 N ATOM 96 CA PRO A 7 -14.224 8.956 -2.466 1.00 0.00 C ATOM 97 C PRO A 7 -15.424 8.023 -2.285 1.00 0.00 C ATOM 98 O PRO A 7 -15.368 7.079 -1.496 1.00 0.00 O ATOM 99 CB PRO A 7 -13.401 8.583 -3.699 1.00 0.00 C ATOM 100 CG PRO A 7 -12.383 7.585 -3.152 1.00 0.00 C ATOM 101 CD PRO A 7 -12.107 8.102 -1.743 1.00 0.00 C ATOM 0 HA PRO A 7 -14.633 9.963 -2.553 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -14.021 8.139 -4.478 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.915 9.455 -4.137 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.782 6.571 -3.137 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.477 7.562 -3.757 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.897 7.281 -1.058 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.237 8.759 -1.730 1.00 0.00 H new ATOM 109 N PRO A 8 -16.524 8.276 -3.008 1.00 0.00 N ATOM 110 CA PRO A 8 -17.748 7.499 -2.934 1.00 0.00 C ATOM 111 C PRO A 8 -17.707 6.241 -3.802 1.00 0.00 C ATOM 112 O PRO A 8 -18.757 5.745 -4.211 1.00 0.00 O ATOM 113 CB PRO A 8 -18.819 8.471 -3.425 1.00 0.00 C ATOM 114 CG PRO A 8 -18.080 9.239 -4.521 1.00 0.00 C ATOM 115 CD PRO A 8 -16.676 9.385 -3.933 1.00 0.00 C ATOM 0 HA PRO A 8 -17.929 7.125 -1.926 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -19.695 7.950 -3.812 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -19.166 9.130 -2.629 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -18.070 8.692 -5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -18.540 10.207 -4.719 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.918 9.350 -4.715 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.562 10.341 -3.421 1.00 0.00 H new ATOM 123 N ASP A 9 -16.515 5.716 -4.093 1.00 0.00 N ATOM 124 CA ASP A 9 -16.366 4.608 -5.025 1.00 0.00 C ATOM 125 C ASP A 9 -15.376 3.551 -4.535 1.00 0.00 C ATOM 126 O ASP A 9 -14.946 2.693 -5.305 1.00 0.00 O ATOM 127 CB ASP A 9 -15.985 5.182 -6.389 1.00 0.00 C ATOM 128 CG ASP A 9 -14.681 5.976 -6.369 1.00 0.00 C ATOM 129 OD1 ASP A 9 -13.882 5.791 -5.426 1.00 0.00 O ATOM 130 OD2 ASP A 9 -14.487 6.776 -7.311 1.00 0.00 O ATOM 0 H ASP A 9 -15.637 6.046 -3.692 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.314 4.076 -5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.894 4.366 -7.106 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.790 5.828 -6.741 1.00 0.00 H new ATOM 135 N VAL A 10 -15.016 3.611 -3.248 1.00 0.00 N ATOM 136 CA VAL A 10 -14.108 2.658 -2.620 1.00 0.00 C ATOM 137 C VAL A 10 -14.701 1.245 -2.622 1.00 0.00 C ATOM 138 O VAL A 10 -14.015 0.275 -2.308 1.00 0.00 O ATOM 139 CB VAL A 10 -13.819 3.115 -1.179 1.00 0.00 C ATOM 140 CG1 VAL A 10 -12.794 2.224 -0.478 1.00 0.00 C ATOM 141 CG2 VAL A 10 -13.264 4.542 -1.187 1.00 0.00 C ATOM 0 H VAL A 10 -15.353 4.332 -2.610 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.179 2.626 -3.190 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.764 3.057 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.626 2.590 0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.169 1.201 -0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -11.855 2.245 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.062 4.859 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.340 4.570 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.994 5.214 -1.638 1.00 0.00 H new ATOM 151 N GLU A 11 -15.983 1.124 -2.982 1.00 0.00 N ATOM 152 CA GLU A 11 -16.698 -0.146 -2.959 1.00 0.00 C ATOM 153 C GLU A 11 -17.103 -0.567 -4.371 1.00 0.00 C ATOM 154 O GLU A 11 -17.906 -1.481 -4.546 1.00 0.00 O ATOM 155 CB GLU A 11 -17.925 -0.013 -2.056 1.00 0.00 C ATOM 156 CG GLU A 11 -17.510 0.451 -0.660 1.00 0.00 C ATOM 157 CD GLU A 11 -18.717 0.526 0.278 1.00 0.00 C ATOM 158 OE1 GLU A 11 -19.364 1.597 0.315 1.00 0.00 O ATOM 159 OE2 GLU A 11 -18.984 -0.494 0.953 1.00 0.00 O ATOM 0 H GLU A 11 -16.551 1.910 -3.298 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.043 -0.921 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.628 0.699 -2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -18.441 -0.971 -1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.770 -0.236 -0.250 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.035 1.430 -0.725 1.00 0.00 H new ATOM 166 N GLY A 12 -16.537 0.112 -5.371 1.00 0.00 N ATOM 167 CA GLY A 12 -16.799 -0.163 -6.778 1.00 0.00 C ATOM 168 C GLY A 12 -15.508 -0.325 -7.570 1.00 0.00 C ATOM 169 O GLY A 12 -15.548 -0.380 -8.801 1.00 0.00 O ATOM 0 H GLY A 12 -15.878 0.876 -5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.396 -1.070 -6.866 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -17.388 0.649 -7.204 1.00 0.00 H new ATOM 173 N MET A 13 -14.364 -0.399 -6.882 1.00 0.00 N ATOM 174 CA MET A 13 -13.054 -0.564 -7.504 1.00 0.00 C ATOM 175 C MET A 13 -12.156 -1.430 -6.622 1.00 0.00 C ATOM 176 O MET A 13 -12.538 -1.816 -5.515 1.00 0.00 O ATOM 177 CB MET A 13 -12.394 0.806 -7.714 1.00 0.00 C ATOM 178 CG MET A 13 -13.255 1.722 -8.584 1.00 0.00 C ATOM 179 SD MET A 13 -12.464 3.292 -9.021 1.00 0.00 S ATOM 180 CE MET A 13 -12.108 3.920 -7.356 1.00 0.00 C ATOM 0 H MET A 13 -14.326 -0.345 -5.864 1.00 0.00 H new ATOM 0 HA MET A 13 -13.188 -1.053 -8.469 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.222 1.279 -6.747 1.00 0.00 H new ATOM 0 HB3 MET A 13 -11.418 0.672 -8.181 1.00 0.00 H new ATOM 0 HG2 MET A 13 -13.517 1.193 -9.500 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.187 1.932 -8.059 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.182 5.007 -7.354 1.00 0.00 H new ATOM 0 HE2 MET A 13 -12.827 3.506 -6.649 1.00 0.00 H new ATOM 0 HE3 MET A 13 -11.101 3.624 -7.063 1.00 0.00 H new ATOM 190 N THR A 14 -10.958 -1.739 -7.116 1.00 0.00 N ATOM 191 CA THR A 14 -9.945 -2.489 -6.381 1.00 0.00 C ATOM 192 C THR A 14 -9.589 -1.761 -5.084 1.00 0.00 C ATOM 193 O THR A 14 -9.836 -0.563 -4.953 1.00 0.00 O ATOM 194 CB THR A 14 -8.719 -2.633 -7.292 1.00 0.00 C ATOM 195 OG1 THR A 14 -9.127 -3.231 -8.502 1.00 0.00 O ATOM 196 CG2 THR A 14 -7.600 -3.485 -6.694 1.00 0.00 C ATOM 0 H THR A 14 -10.661 -1.470 -8.054 1.00 0.00 H new ATOM 0 HA THR A 14 -10.317 -3.476 -6.106 1.00 0.00 H new ATOM 0 HB THR A 14 -8.317 -1.630 -7.435 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.665 -2.801 -9.252 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.769 -3.540 -7.397 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.258 -3.035 -5.762 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.974 -4.489 -6.496 1.00 0.00 H new ATOM 203 N SER A 15 -9.005 -2.479 -4.118 1.00 0.00 N ATOM 204 CA SER A 15 -8.552 -1.886 -2.867 1.00 0.00 C ATOM 205 C SER A 15 -7.352 -2.667 -2.342 1.00 0.00 C ATOM 206 O SER A 15 -7.384 -3.897 -2.289 1.00 0.00 O ATOM 207 CB SER A 15 -9.677 -1.907 -1.830 1.00 0.00 C ATOM 208 OG SER A 15 -9.228 -1.292 -0.644 1.00 0.00 O ATOM 0 H SER A 15 -8.836 -3.483 -4.186 1.00 0.00 H new ATOM 0 HA SER A 15 -8.264 -0.850 -3.048 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.552 -1.384 -2.215 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.982 -2.934 -1.628 1.00 0.00 H new ATOM 0 HG SER A 15 -9.947 -1.302 0.022 1.00 0.00 H new ATOM 214 N LEU A 16 -6.296 -1.946 -1.957 1.00 0.00 N ATOM 215 CA LEU A 16 -5.060 -2.542 -1.469 1.00 0.00 C ATOM 216 C LEU A 16 -4.553 -1.761 -0.264 1.00 0.00 C ATOM 217 O LEU A 16 -3.865 -0.760 -0.454 1.00 0.00 O ATOM 218 CB LEU A 16 -4.010 -2.489 -2.580 1.00 0.00 C ATOM 219 CG LEU A 16 -2.681 -3.107 -2.131 1.00 0.00 C ATOM 220 CD1 LEU A 16 -2.672 -4.601 -2.435 1.00 0.00 C ATOM 221 CD2 LEU A 16 -1.541 -2.418 -2.878 1.00 0.00 C ATOM 0 H LEU A 16 -6.279 -0.926 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.244 -3.576 -1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.381 -3.020 -3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.848 -1.453 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.556 -2.970 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.724 -5.032 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.491 -5.086 -1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.795 -4.755 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.589 -2.849 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.671 -2.560 -3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.548 -1.352 -2.650 1.00 0.00 H new ATOM 233 N LYS A 17 -4.883 -2.203 0.956 1.00 0.00 N ATOM 234 CA LYS A 17 -4.414 -1.533 2.161 1.00 0.00 C ATOM 235 C LYS A 17 -2.913 -1.734 2.352 1.00 0.00 C ATOM 236 O LYS A 17 -2.321 -2.652 1.786 1.00 0.00 O ATOM 237 CB LYS A 17 -5.190 -2.003 3.391 1.00 0.00 C ATOM 238 CG LYS A 17 -4.761 -3.388 3.868 1.00 0.00 C ATOM 239 CD LYS A 17 -5.572 -3.816 5.095 1.00 0.00 C ATOM 240 CE LYS A 17 -5.414 -2.902 6.312 1.00 0.00 C ATOM 241 NZ LYS A 17 -3.998 -2.704 6.681 1.00 0.00 N ATOM 0 H LYS A 17 -5.471 -3.019 1.128 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.596 -0.465 2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.049 -1.286 4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.255 -2.017 3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.898 -4.113 3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.699 -3.380 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.626 -3.856 4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.276 -4.827 5.375 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.871 -1.935 6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.952 -3.330 7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.936 -2.413 7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.477 -3.594 6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.582 -1.965 6.078 1.00 0.00 H new ATOM 255 N VAL A 18 -2.307 -0.863 3.158 1.00 0.00 N ATOM 256 CA VAL A 18 -0.885 -0.901 3.459 1.00 0.00 C ATOM 257 C VAL A 18 -0.658 -0.537 4.916 1.00 0.00 C ATOM 258 O VAL A 18 -1.229 0.454 5.377 1.00 0.00 O ATOM 259 CB VAL A 18 -0.203 0.144 2.588 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.244 0.368 3.014 1.00 0.00 C ATOM 261 CG2 VAL A 18 -0.259 -0.226 1.109 1.00 0.00 C ATOM 0 H VAL A 18 -2.801 -0.102 3.624 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.487 -1.898 3.271 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.754 1.074 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.700 1.120 2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.270 0.711 4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.798 -0.567 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.239 0.546 0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.243 -1.181 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.299 -0.308 0.793 1.00 0.00 H new ATOM 271 N ASP A 19 0.163 -1.326 5.625 1.00 0.00 N ATOM 272 CA ASP A 19 0.373 -1.188 7.065 1.00 0.00 C ATOM 273 C ASP A 19 1.721 -1.760 7.538 1.00 0.00 C ATOM 274 O ASP A 19 2.517 -2.247 6.736 1.00 0.00 O ATOM 275 CB ASP A 19 -0.769 -1.909 7.783 1.00 0.00 C ATOM 276 CG ASP A 19 -0.805 -3.406 7.475 1.00 0.00 C ATOM 277 OD1 ASP A 19 -1.423 -3.771 6.447 1.00 0.00 O ATOM 278 OD2 ASP A 19 -0.218 -4.171 8.273 1.00 0.00 O ATOM 0 H ASP A 19 0.703 -2.084 5.206 1.00 0.00 H new ATOM 0 HA ASP A 19 0.389 -0.124 7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.665 -1.766 8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.718 -1.459 7.492 1.00 0.00 H new ATOM 283 N ASN A 20 1.952 -1.688 8.857 1.00 0.00 N ATOM 284 CA ASN A 20 3.039 -2.319 9.612 1.00 0.00 C ATOM 285 C ASN A 20 4.301 -1.454 9.738 1.00 0.00 C ATOM 286 O ASN A 20 5.272 -1.890 10.356 1.00 0.00 O ATOM 287 CB ASN A 20 3.386 -3.712 9.069 1.00 0.00 C ATOM 288 CG ASN A 20 3.887 -4.621 10.178 1.00 0.00 C ATOM 289 OD1 ASN A 20 3.099 -5.126 10.974 1.00 0.00 O ATOM 290 ND2 ASN A 20 5.194 -4.840 10.247 1.00 0.00 N ATOM 0 H ASN A 20 1.338 -1.147 9.466 1.00 0.00 H new ATOM 0 HA ASN A 20 2.645 -2.430 10.622 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.506 -4.154 8.602 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.148 -3.625 8.294 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.572 -5.444 10.977 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.820 -4.405 9.570 1.00 0.00 H new ATOM 297 N LEU A 21 4.309 -0.244 9.171 1.00 0.00 N ATOM 298 CA LEU A 21 5.425 0.686 9.294 1.00 0.00 C ATOM 299 C LEU A 21 5.745 1.021 10.756 1.00 0.00 C ATOM 300 O LEU A 21 5.002 0.648 11.662 1.00 0.00 O ATOM 301 CB LEU A 21 5.192 1.933 8.423 1.00 0.00 C ATOM 302 CG LEU A 21 3.864 2.689 8.590 1.00 0.00 C ATOM 303 CD1 LEU A 21 2.669 1.882 8.091 1.00 0.00 C ATOM 304 CD2 LEU A 21 3.595 3.129 10.026 1.00 0.00 C ATOM 0 H LEU A 21 3.535 0.116 8.612 1.00 0.00 H new ATOM 0 HA LEU A 21 6.319 0.193 8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.003 2.634 8.619 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.277 1.632 7.379 1.00 0.00 H new ATOM 0 HG LEU A 21 3.980 3.581 7.974 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.756 2.460 8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.798 1.658 7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.599 0.951 8.653 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.642 3.656 10.073 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.557 2.253 10.674 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.393 3.792 10.359 1.00 0.00 H new ATOM 316 N THR A 22 6.854 1.729 10.984 1.00 0.00 N ATOM 317 CA THR A 22 7.342 2.002 12.333 1.00 0.00 C ATOM 318 C THR A 22 6.489 3.031 13.067 1.00 0.00 C ATOM 319 O THR A 22 5.659 3.719 12.473 1.00 0.00 O ATOM 320 CB THR A 22 8.784 2.521 12.293 1.00 0.00 C ATOM 321 OG1 THR A 22 8.801 3.839 11.788 1.00 0.00 O ATOM 322 CG2 THR A 22 9.690 1.638 11.445 1.00 0.00 C ATOM 0 H THR A 22 7.433 2.125 10.244 1.00 0.00 H new ATOM 0 HA THR A 22 7.288 1.055 12.870 1.00 0.00 H new ATOM 0 HB THR A 22 9.167 2.503 13.313 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.310 3.871 10.941 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.701 2.046 11.447 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.705 0.629 11.858 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.314 1.606 10.423 1.00 0.00 H new ATOM 329 N TYR A 23 6.705 3.135 14.380 1.00 0.00 N ATOM 330 CA TYR A 23 6.064 4.138 15.215 1.00 0.00 C ATOM 331 C TYR A 23 6.672 5.527 14.983 1.00 0.00 C ATOM 332 O TYR A 23 6.383 6.456 15.736 1.00 0.00 O ATOM 333 CB TYR A 23 6.195 3.713 16.677 1.00 0.00 C ATOM 334 CG TYR A 23 7.623 3.615 17.174 1.00 0.00 C ATOM 335 CD1 TYR A 23 8.342 2.420 17.024 1.00 0.00 C ATOM 336 CD2 TYR A 23 8.222 4.723 17.792 1.00 0.00 C ATOM 337 CE1 TYR A 23 9.664 2.331 17.482 1.00 0.00 C ATOM 338 CE2 TYR A 23 9.544 4.640 18.255 1.00 0.00 C ATOM 339 CZ TYR A 23 10.271 3.446 18.098 1.00 0.00 C ATOM 340 OH TYR A 23 11.556 3.369 18.543 1.00 0.00 O ATOM 0 H TYR A 23 7.336 2.518 14.892 1.00 0.00 H new ATOM 0 HA TYR A 23 5.009 4.209 14.951 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.654 4.426 17.300 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.711 2.745 16.806 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.876 1.566 16.554 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.665 5.641 17.911 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.217 1.411 17.364 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.003 5.493 18.732 1.00 0.00 H new ATOM 0 HH TYR A 23 11.817 4.226 18.940 1.00 0.00 H new ATOM 350 N ARG A 24 7.512 5.676 13.950 1.00 0.00 N ATOM 351 CA ARG A 24 8.199 6.922 13.640 1.00 0.00 C ATOM 352 C ARG A 24 7.923 7.374 12.204 1.00 0.00 C ATOM 353 O ARG A 24 8.222 8.516 11.859 1.00 0.00 O ATOM 354 CB ARG A 24 9.707 6.732 13.852 1.00 0.00 C ATOM 355 CG ARG A 24 10.072 6.398 15.299 1.00 0.00 C ATOM 356 CD ARG A 24 9.646 7.509 16.255 1.00 0.00 C ATOM 357 NE ARG A 24 10.310 8.778 15.936 1.00 0.00 N ATOM 358 CZ ARG A 24 9.923 9.963 16.415 1.00 0.00 C ATOM 359 NH1 ARG A 24 8.888 10.061 17.243 1.00 0.00 N ATOM 360 NH2 ARG A 24 10.579 11.067 16.066 1.00 0.00 N ATOM 0 H ARG A 24 7.732 4.920 13.302 1.00 0.00 H new ATOM 0 HA ARG A 24 7.824 7.699 14.307 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.062 5.933 13.201 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.227 7.642 13.553 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.593 5.463 15.590 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.148 6.242 15.377 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.565 7.640 16.204 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.884 7.220 17.279 1.00 0.00 H new ATOM 0 HE ARG A 24 11.116 8.754 15.311 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.377 9.224 17.521 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.605 10.974 17.600 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.377 11.008 15.433 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.284 11.972 16.431 1.00 0.00 H new ATOM 374 N THR A 25 7.356 6.499 11.369 1.00 0.00 N ATOM 375 CA THR A 25 6.950 6.867 10.017 1.00 0.00 C ATOM 376 C THR A 25 5.777 7.844 10.079 1.00 0.00 C ATOM 377 O THR A 25 5.152 7.988 11.130 1.00 0.00 O ATOM 378 CB THR A 25 6.575 5.599 9.245 1.00 0.00 C ATOM 379 OG1 THR A 25 7.586 4.631 9.411 1.00 0.00 O ATOM 380 CG2 THR A 25 6.410 5.860 7.747 1.00 0.00 C ATOM 0 H THR A 25 7.168 5.526 11.611 1.00 0.00 H new ATOM 0 HA THR A 25 7.772 7.361 9.499 1.00 0.00 H new ATOM 0 HB THR A 25 5.622 5.251 9.644 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.255 4.731 8.702 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.144 4.931 7.243 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.621 6.596 7.591 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.347 6.239 7.338 1.00 0.00 H new ATOM 387 N SER A 26 5.469 8.517 8.968 1.00 0.00 N ATOM 388 CA SER A 26 4.407 9.513 8.925 1.00 0.00 C ATOM 389 C SER A 26 3.581 9.343 7.654 1.00 0.00 C ATOM 390 O SER A 26 4.071 8.787 6.669 1.00 0.00 O ATOM 391 CB SER A 26 5.027 10.909 8.992 1.00 0.00 C ATOM 392 OG SER A 26 5.676 11.101 10.233 1.00 0.00 O ATOM 0 H SER A 26 5.949 8.384 8.078 1.00 0.00 H new ATOM 0 HA SER A 26 3.741 9.381 9.778 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.740 11.036 8.178 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.253 11.665 8.859 1.00 0.00 H new ATOM 0 HG SER A 26 6.069 11.998 10.261 1.00 0.00 H new ATOM 398 N PRO A 27 2.326 9.812 7.654 1.00 0.00 N ATOM 399 CA PRO A 27 1.417 9.637 6.534 1.00 0.00 C ATOM 400 C PRO A 27 1.851 10.443 5.312 1.00 0.00 C ATOM 401 O PRO A 27 1.401 10.156 4.204 1.00 0.00 O ATOM 402 CB PRO A 27 0.047 10.074 7.054 1.00 0.00 C ATOM 403 CG PRO A 27 0.375 11.066 8.167 1.00 0.00 C ATOM 404 CD PRO A 27 1.688 10.536 8.737 1.00 0.00 C ATOM 0 HA PRO A 27 1.402 8.603 6.190 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.549 10.538 6.268 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.526 9.227 7.430 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.484 12.080 7.782 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.409 11.095 8.924 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.320 11.352 9.087 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.508 9.883 9.591 1.00 0.00 H new ATOM 412 N ASP A 28 2.717 11.447 5.484 1.00 0.00 N ATOM 413 CA ASP A 28 3.241 12.204 4.358 1.00 0.00 C ATOM 414 C ASP A 28 4.340 11.394 3.680 1.00 0.00 C ATOM 415 O ASP A 28 4.532 11.488 2.469 1.00 0.00 O ATOM 416 CB ASP A 28 3.829 13.518 4.861 1.00 0.00 C ATOM 417 CG ASP A 28 4.305 14.391 3.702 1.00 0.00 C ATOM 418 OD1 ASP A 28 3.439 14.865 2.934 1.00 0.00 O ATOM 419 OD2 ASP A 28 5.538 14.580 3.594 1.00 0.00 O ATOM 0 H ASP A 28 3.066 11.749 6.394 1.00 0.00 H new ATOM 0 HA ASP A 28 2.439 12.408 3.649 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.079 14.056 5.441 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.664 13.313 5.531 1.00 0.00 H new ATOM 424 N THR A 29 5.061 10.596 4.474 1.00 0.00 N ATOM 425 CA THR A 29 6.123 9.762 3.952 1.00 0.00 C ATOM 426 C THR A 29 5.500 8.681 3.088 1.00 0.00 C ATOM 427 O THR A 29 5.917 8.479 1.956 1.00 0.00 O ATOM 428 CB THR A 29 6.908 9.115 5.095 1.00 0.00 C ATOM 429 OG1 THR A 29 6.924 9.940 6.236 1.00 0.00 O ATOM 430 CG2 THR A 29 8.348 8.878 4.656 1.00 0.00 C ATOM 0 H THR A 29 4.920 10.517 5.481 1.00 0.00 H new ATOM 0 HA THR A 29 6.811 10.371 3.365 1.00 0.00 H new ATOM 0 HB THR A 29 6.419 8.173 5.343 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.431 9.501 6.950 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.906 8.417 5.471 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.360 8.217 3.789 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.810 9.830 4.393 1.00 0.00 H new ATOM 437 N LEU A 30 4.489 7.986 3.625 1.00 0.00 N ATOM 438 CA LEU A 30 3.838 6.908 2.902 1.00 0.00 C ATOM 439 C LEU A 30 3.186 7.441 1.637 1.00 0.00 C ATOM 440 O LEU A 30 3.123 6.733 0.638 1.00 0.00 O ATOM 441 CB LEU A 30 2.779 6.243 3.777 1.00 0.00 C ATOM 442 CG LEU A 30 3.350 5.734 5.100 1.00 0.00 C ATOM 443 CD1 LEU A 30 2.179 5.267 5.957 1.00 0.00 C ATOM 444 CD2 LEU A 30 4.309 4.569 4.856 1.00 0.00 C ATOM 0 H LEU A 30 4.111 8.157 4.557 1.00 0.00 H new ATOM 0 HA LEU A 30 4.595 6.171 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.980 6.956 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.333 5.410 3.233 1.00 0.00 H new ATOM 0 HG LEU A 30 3.905 6.528 5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.552 4.896 6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.500 6.102 6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.646 4.468 5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.706 4.219 5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.776 3.755 4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.130 4.901 4.220 1.00 0.00 H new ATOM 456 N ARG A 31 2.703 8.686 1.665 1.00 0.00 N ATOM 457 CA ARG A 31 2.057 9.275 0.503 1.00 0.00 C ATOM 458 C ARG A 31 3.035 9.291 -0.665 1.00 0.00 C ATOM 459 O ARG A 31 2.669 8.919 -1.776 1.00 0.00 O ATOM 460 CB ARG A 31 1.549 10.683 0.859 1.00 0.00 C ATOM 461 CG ARG A 31 1.168 11.501 -0.380 1.00 0.00 C ATOM 462 CD ARG A 31 0.021 10.862 -1.159 1.00 0.00 C ATOM 463 NE ARG A 31 -0.064 11.420 -2.514 1.00 0.00 N ATOM 464 CZ ARG A 31 -0.975 12.301 -2.933 1.00 0.00 C ATOM 465 NH1 ARG A 31 -1.927 12.747 -2.121 1.00 0.00 N ATOM 466 NH2 ARG A 31 -0.921 12.738 -4.190 1.00 0.00 N ATOM 0 H ARG A 31 2.750 9.299 2.479 1.00 0.00 H new ATOM 0 HA ARG A 31 1.194 8.681 0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.682 10.598 1.515 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.320 11.213 1.417 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.882 12.508 -0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.037 11.599 -1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.169 9.783 -1.214 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.919 11.028 -0.633 1.00 0.00 H new ATOM 0 HE ARG A 31 0.631 11.108 -3.192 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.971 12.416 -1.157 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.613 13.420 -2.461 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.191 12.399 -4.817 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.610 13.411 -4.526 1.00 0.00 H new ATOM 480 N ARG A 32 4.276 9.716 -0.429 1.00 0.00 N ATOM 481 CA ARG A 32 5.270 9.823 -1.497 1.00 0.00 C ATOM 482 C ARG A 32 5.922 8.469 -1.767 1.00 0.00 C ATOM 483 O ARG A 32 6.185 8.118 -2.915 1.00 0.00 O ATOM 484 CB ARG A 32 6.321 10.847 -1.064 1.00 0.00 C ATOM 485 CG ARG A 32 7.429 10.987 -2.104 1.00 0.00 C ATOM 486 CD ARG A 32 8.461 11.989 -1.597 1.00 0.00 C ATOM 487 NE ARG A 32 9.545 12.171 -2.566 1.00 0.00 N ATOM 488 CZ ARG A 32 10.600 12.966 -2.368 1.00 0.00 C ATOM 489 NH1 ARG A 32 10.726 13.667 -1.244 1.00 0.00 N ATOM 490 NH2 ARG A 32 11.543 13.063 -3.303 1.00 0.00 N ATOM 0 H ARG A 32 4.617 9.992 0.492 1.00 0.00 H new ATOM 0 HA ARG A 32 4.790 10.144 -2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.844 11.815 -0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.753 10.545 -0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.900 10.021 -2.285 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.013 11.322 -3.054 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.977 12.947 -1.404 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.872 11.643 -0.649 1.00 0.00 H new ATOM 0 HE ARG A 32 9.491 11.659 -3.446 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.011 13.601 -0.519 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.537 14.270 -1.107 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.459 12.531 -4.169 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.349 13.670 -3.153 1.00 0.00 H new ATOM 504 N VAL A 33 6.184 7.715 -0.698 1.00 0.00 N ATOM 505 CA VAL A 33 6.781 6.390 -0.759 1.00 0.00 C ATOM 506 C VAL A 33 5.935 5.440 -1.598 1.00 0.00 C ATOM 507 O VAL A 33 6.487 4.552 -2.239 1.00 0.00 O ATOM 508 CB VAL A 33 6.913 5.859 0.671 1.00 0.00 C ATOM 509 CG1 VAL A 33 7.097 4.347 0.736 1.00 0.00 C ATOM 510 CG2 VAL A 33 8.092 6.539 1.364 1.00 0.00 C ATOM 0 H VAL A 33 5.980 8.020 0.254 1.00 0.00 H new ATOM 0 HA VAL A 33 7.760 6.456 -1.233 1.00 0.00 H new ATOM 0 HB VAL A 33 5.977 6.091 1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.184 4.035 1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.237 3.856 0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.002 4.067 0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.184 6.160 2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.009 6.328 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.926 7.616 1.392 1.00 0.00 H new ATOM 520 N PHE A 34 4.614 5.613 -1.604 1.00 0.00 N ATOM 521 CA PHE A 34 3.712 4.706 -2.300 1.00 0.00 C ATOM 522 C PHE A 34 3.133 5.329 -3.562 1.00 0.00 C ATOM 523 O PHE A 34 2.507 4.644 -4.363 1.00 0.00 O ATOM 524 CB PHE A 34 2.602 4.294 -1.337 1.00 0.00 C ATOM 525 CG PHE A 34 3.028 3.173 -0.418 1.00 0.00 C ATOM 526 CD1 PHE A 34 3.641 3.458 0.809 1.00 0.00 C ATOM 527 CD2 PHE A 34 2.818 1.839 -0.796 1.00 0.00 C ATOM 528 CE1 PHE A 34 4.053 2.417 1.650 1.00 0.00 C ATOM 529 CE2 PHE A 34 3.212 0.795 0.051 1.00 0.00 C ATOM 530 CZ PHE A 34 3.834 1.087 1.274 1.00 0.00 C ATOM 0 H PHE A 34 4.144 6.383 -1.128 1.00 0.00 H new ATOM 0 HA PHE A 34 4.274 3.829 -2.622 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.303 5.156 -0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.727 3.981 -1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.796 4.484 1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.351 1.616 -1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.539 2.640 2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.037 -0.231 -0.237 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.144 0.284 1.926 1.00 0.00 H new ATOM 540 N GLU A 35 3.344 6.631 -3.744 1.00 0.00 N ATOM 541 CA GLU A 35 2.874 7.320 -4.938 1.00 0.00 C ATOM 542 C GLU A 35 3.645 6.851 -6.178 1.00 0.00 C ATOM 543 O GLU A 35 3.139 6.934 -7.296 1.00 0.00 O ATOM 544 CB GLU A 35 3.015 8.833 -4.754 1.00 0.00 C ATOM 545 CG GLU A 35 2.635 9.612 -6.011 1.00 0.00 C ATOM 546 CD GLU A 35 2.480 11.096 -5.697 1.00 0.00 C ATOM 547 OE1 GLU A 35 1.381 11.477 -5.232 1.00 0.00 O ATOM 548 OE2 GLU A 35 3.463 11.841 -5.919 1.00 0.00 O ATOM 0 H GLU A 35 3.837 7.227 -3.079 1.00 0.00 H new ATOM 0 HA GLU A 35 1.822 7.080 -5.089 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.384 9.156 -3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.044 9.068 -4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.400 9.475 -6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.703 9.222 -6.419 1.00 0.00 H new ATOM 555 N LYS A 36 4.871 6.357 -5.981 1.00 0.00 N ATOM 556 CA LYS A 36 5.727 5.935 -7.082 1.00 0.00 C ATOM 557 C LYS A 36 5.275 4.612 -7.685 1.00 0.00 C ATOM 558 O LYS A 36 5.613 4.302 -8.826 1.00 0.00 O ATOM 559 CB LYS A 36 7.162 5.823 -6.566 1.00 0.00 C ATOM 560 CG LYS A 36 7.358 4.632 -5.628 1.00 0.00 C ATOM 561 CD LYS A 36 8.788 4.566 -5.088 1.00 0.00 C ATOM 562 CE LYS A 36 9.096 5.791 -4.228 1.00 0.00 C ATOM 563 NZ LYS A 36 10.450 5.710 -3.650 1.00 0.00 N ATOM 0 H LYS A 36 5.291 6.241 -5.059 1.00 0.00 H new ATOM 0 HA LYS A 36 5.665 6.679 -7.876 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.842 5.730 -7.412 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.429 6.741 -6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.658 4.705 -4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.127 3.709 -6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.918 3.659 -4.498 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.493 4.511 -5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.009 6.694 -4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.360 5.871 -3.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.631 6.555 -3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.523 4.860 -3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.152 5.658 -4.416 1.00 0.00 H new ATOM 577 N TYR A 37 4.517 3.828 -6.916 1.00 0.00 N ATOM 578 CA TYR A 37 4.016 2.541 -7.375 1.00 0.00 C ATOM 579 C TYR A 37 2.819 2.715 -8.302 1.00 0.00 C ATOM 580 O TYR A 37 2.439 1.766 -8.985 1.00 0.00 O ATOM 581 CB TYR A 37 3.672 1.661 -6.179 1.00 0.00 C ATOM 582 CG TYR A 37 4.897 1.288 -5.382 1.00 0.00 C ATOM 583 CD1 TYR A 37 5.456 2.216 -4.493 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.487 0.028 -5.550 1.00 0.00 C ATOM 585 CE1 TYR A 37 6.629 1.901 -3.794 1.00 0.00 C ATOM 586 CE2 TYR A 37 6.648 -0.301 -4.836 1.00 0.00 C ATOM 587 CZ TYR A 37 7.236 0.640 -3.970 1.00 0.00 C ATOM 588 OH TYR A 37 8.383 0.334 -3.302 1.00 0.00 O ATOM 0 H TYR A 37 4.237 4.069 -5.965 1.00 0.00 H new ATOM 0 HA TYR A 37 4.798 2.047 -7.952 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.966 2.185 -5.535 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.175 0.755 -6.526 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.982 3.175 -4.346 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.048 -0.689 -6.228 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.068 2.623 -3.121 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.092 -1.279 -4.951 1.00 0.00 H new ATOM 0 HH TYR A 37 8.160 -0.070 -2.437 1.00 0.00 H new ATOM 598 N GLY A 38 2.224 3.912 -8.332 1.00 0.00 N ATOM 599 CA GLY A 38 1.200 4.218 -9.322 1.00 0.00 C ATOM 600 C GLY A 38 0.108 5.147 -8.808 1.00 0.00 C ATOM 601 O GLY A 38 -0.054 6.244 -9.344 1.00 0.00 O ATOM 0 H GLY A 38 2.434 4.674 -7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.673 4.674 -10.192 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.744 3.287 -9.659 1.00 0.00 H new ATOM 605 N ARG A 39 -0.641 4.730 -7.777 1.00 0.00 N ATOM 606 CA ARG A 39 -1.766 5.524 -7.299 1.00 0.00 C ATOM 607 C ARG A 39 -2.113 5.256 -5.836 1.00 0.00 C ATOM 608 O ARG A 39 -2.914 4.380 -5.516 1.00 0.00 O ATOM 609 CB ARG A 39 -2.965 5.326 -8.241 1.00 0.00 C ATOM 610 CG ARG A 39 -3.574 3.922 -8.210 1.00 0.00 C ATOM 611 CD ARG A 39 -4.485 3.718 -9.420 1.00 0.00 C ATOM 612 NE ARG A 39 -3.701 3.483 -10.637 1.00 0.00 N ATOM 613 CZ ARG A 39 -4.147 3.662 -11.884 1.00 0.00 C ATOM 614 NH1 ARG A 39 -5.381 4.099 -12.115 1.00 0.00 N ATOM 615 NH2 ARG A 39 -3.343 3.395 -12.906 1.00 0.00 N ATOM 0 H ARG A 39 -0.486 3.859 -7.269 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.475 6.574 -7.320 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.738 6.049 -7.981 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.650 5.549 -9.260 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.782 3.173 -8.211 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.142 3.784 -7.290 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.148 2.871 -9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.118 4.595 -9.555 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.741 3.158 -10.523 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.004 4.303 -11.334 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.705 4.230 -13.073 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.396 3.057 -12.735 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.672 3.528 -13.862 1.00 0.00 H new ATOM 629 N VAL A 40 -1.497 6.026 -4.938 1.00 0.00 N ATOM 630 CA VAL A 40 -1.856 6.096 -3.527 1.00 0.00 C ATOM 631 C VAL A 40 -3.196 6.824 -3.401 1.00 0.00 C ATOM 632 O VAL A 40 -3.311 7.892 -2.801 1.00 0.00 O ATOM 633 CB VAL A 40 -0.710 6.753 -2.750 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.347 8.129 -3.310 1.00 0.00 C ATOM 635 CG2 VAL A 40 -1.007 6.857 -1.251 1.00 0.00 C ATOM 0 H VAL A 40 -0.714 6.633 -5.182 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.993 5.107 -3.090 1.00 0.00 H new ATOM 0 HB VAL A 40 0.150 6.095 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.470 8.555 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.037 8.028 -4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.215 8.786 -3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.165 7.329 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.904 7.457 -1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.163 5.859 -0.841 1.00 0.00 H new ATOM 645 N GLY A 41 -4.225 6.218 -3.997 1.00 0.00 N ATOM 646 CA GLY A 41 -5.568 6.770 -4.109 1.00 0.00 C ATOM 647 C GLY A 41 -6.158 7.204 -2.768 1.00 0.00 C ATOM 648 O GLY A 41 -7.089 8.006 -2.744 1.00 0.00 O ATOM 0 H GLY A 41 -4.138 5.298 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.546 7.627 -4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.223 6.025 -4.562 1.00 0.00 H new ATOM 652 N ASP A 42 -5.632 6.686 -1.656 1.00 0.00 N ATOM 653 CA ASP A 42 -6.059 7.093 -0.328 1.00 0.00 C ATOM 654 C ASP A 42 -4.912 6.882 0.663 1.00 0.00 C ATOM 655 O ASP A 42 -4.026 6.065 0.420 1.00 0.00 O ATOM 656 CB ASP A 42 -7.295 6.281 0.061 1.00 0.00 C ATOM 657 CG ASP A 42 -8.185 7.011 1.064 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.639 7.786 1.881 1.00 0.00 O ATOM 659 OD2 ASP A 42 -9.412 6.785 1.000 1.00 0.00 O ATOM 0 H ASP A 42 -4.901 5.975 -1.657 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.321 8.151 -0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.873 6.055 -0.835 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.980 5.328 0.486 1.00 0.00 H new ATOM 664 N VAL A 43 -4.939 7.615 1.776 1.00 0.00 N ATOM 665 CA VAL A 43 -3.901 7.585 2.798 1.00 0.00 C ATOM 666 C VAL A 43 -4.515 7.998 4.131 1.00 0.00 C ATOM 667 O VAL A 43 -5.097 9.075 4.245 1.00 0.00 O ATOM 668 CB VAL A 43 -2.734 8.494 2.379 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.215 9.829 1.801 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.786 8.744 3.554 1.00 0.00 C ATOM 0 H VAL A 43 -5.700 8.258 1.994 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.495 6.580 2.912 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.195 7.967 1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.354 10.435 1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.831 9.644 0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.803 10.359 2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.969 9.390 3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.331 9.226 4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.381 7.794 3.903 1.00 0.00 H new ATOM 680 N TYR A 44 -4.379 7.138 5.143 1.00 0.00 N ATOM 681 CA TYR A 44 -4.980 7.368 6.447 1.00 0.00 C ATOM 682 C TYR A 44 -4.172 6.702 7.562 1.00 0.00 C ATOM 683 O TYR A 44 -3.288 5.888 7.296 1.00 0.00 O ATOM 684 CB TYR A 44 -6.407 6.838 6.425 1.00 0.00 C ATOM 685 CG TYR A 44 -7.260 7.463 7.504 1.00 0.00 C ATOM 686 CD1 TYR A 44 -7.452 8.852 7.507 1.00 0.00 C ATOM 687 CD2 TYR A 44 -7.849 6.666 8.490 1.00 0.00 C ATOM 688 CE1 TYR A 44 -8.236 9.449 8.499 1.00 0.00 C ATOM 689 CE2 TYR A 44 -8.643 7.255 9.483 1.00 0.00 C ATOM 690 CZ TYR A 44 -8.837 8.655 9.492 1.00 0.00 C ATOM 691 OH TYR A 44 -9.603 9.241 10.453 1.00 0.00 O ATOM 0 H TYR A 44 -3.851 6.268 5.076 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.985 8.438 6.654 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.852 7.037 5.450 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.394 5.756 6.555 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.994 9.461 6.742 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.692 5.597 8.486 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.380 10.519 8.503 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.106 6.640 10.240 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.972 10.082 10.110 1.00 0.00 H new ATOM 701 N ILE A 45 -4.480 7.050 8.813 1.00 0.00 N ATOM 702 CA ILE A 45 -3.879 6.456 10.002 1.00 0.00 C ATOM 703 C ILE A 45 -4.960 6.338 11.077 1.00 0.00 C ATOM 704 O ILE A 45 -5.166 7.266 11.854 1.00 0.00 O ATOM 705 CB ILE A 45 -2.669 7.269 10.493 1.00 0.00 C ATOM 706 CG1 ILE A 45 -1.518 7.162 9.479 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.181 6.724 11.836 1.00 0.00 C ATOM 708 CD1 ILE A 45 -0.270 7.917 9.922 1.00 0.00 C ATOM 0 H ILE A 45 -5.170 7.769 9.029 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.495 5.464 9.763 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.975 8.309 10.603 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.268 6.112 9.329 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.850 7.551 8.516 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.324 7.306 12.175 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.983 6.796 12.571 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.888 5.681 11.720 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.509 7.806 9.168 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.508 8.973 10.045 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.083 7.512 10.870 1.00 0.00 H new ATOM 720 N PRO A 46 -5.650 5.190 11.117 1.00 0.00 N ATOM 721 CA PRO A 46 -6.686 4.857 12.092 1.00 0.00 C ATOM 722 C PRO A 46 -6.205 4.772 13.545 1.00 0.00 C ATOM 723 O PRO A 46 -6.910 4.189 14.368 1.00 0.00 O ATOM 724 CB PRO A 46 -7.228 3.494 11.661 1.00 0.00 C ATOM 725 CG PRO A 46 -6.782 3.330 10.209 1.00 0.00 C ATOM 726 CD PRO A 46 -5.482 4.112 10.161 1.00 0.00 C ATOM 0 HA PRO A 46 -7.428 5.655 12.093 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.831 2.696 12.288 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.314 3.456 11.747 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.633 2.282 9.949 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.519 3.730 9.513 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.633 3.481 10.424 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.293 4.500 9.160 1.00 0.00 H new ATOM 734 N ARG A 47 -5.033 5.324 13.870 1.00 0.00 N ATOM 735 CA ARG A 47 -4.402 5.169 15.180 1.00 0.00 C ATOM 736 C ARG A 47 -5.414 5.280 16.324 1.00 0.00 C ATOM 737 O ARG A 47 -5.624 4.323 17.064 1.00 0.00 O ATOM 738 CB ARG A 47 -3.236 6.156 15.315 1.00 0.00 C ATOM 739 CG ARG A 47 -3.606 7.628 15.097 1.00 0.00 C ATOM 740 CD ARG A 47 -2.349 8.491 15.074 1.00 0.00 C ATOM 741 NE ARG A 47 -2.682 9.886 14.756 1.00 0.00 N ATOM 742 CZ ARG A 47 -1.793 10.881 14.712 1.00 0.00 C ATOM 743 NH1 ARG A 47 -0.505 10.656 14.967 1.00 0.00 N ATOM 744 NH2 ARG A 47 -2.192 12.113 14.413 1.00 0.00 N ATOM 0 H ARG A 47 -4.491 5.897 13.223 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.995 4.161 15.255 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.802 6.049 16.309 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.462 5.881 14.598 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.149 7.739 14.158 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.272 7.964 15.892 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.851 8.443 16.042 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.648 8.102 14.335 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.657 10.109 14.556 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.188 9.715 15.199 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.164 11.425 14.930 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.176 12.297 14.218 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.514 12.874 14.379 1.00 0.00 H new ATOM 758 N ASP A 48 -6.040 6.448 16.459 1.00 0.00 N ATOM 759 CA ASP A 48 -7.138 6.693 17.377 1.00 0.00 C ATOM 760 C ASP A 48 -7.821 7.989 16.940 1.00 0.00 C ATOM 761 O ASP A 48 -7.448 8.566 15.917 1.00 0.00 O ATOM 762 CB ASP A 48 -6.606 6.795 18.807 1.00 0.00 C ATOM 763 CG ASP A 48 -7.706 6.551 19.836 1.00 0.00 C ATOM 764 OD1 ASP A 48 -7.905 5.374 20.214 1.00 0.00 O ATOM 765 OD2 ASP A 48 -8.339 7.553 20.236 1.00 0.00 O ATOM 0 H ASP A 48 -5.785 7.271 15.914 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.859 5.875 17.358 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -5.806 6.069 18.950 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.172 7.783 18.965 1.00 0.00 H new ATOM 770 N ARG A 49 -8.814 8.459 17.700 1.00 0.00 N ATOM 771 CA ARG A 49 -9.552 9.672 17.370 1.00 0.00 C ATOM 772 C ARG A 49 -9.815 10.508 18.625 1.00 0.00 C ATOM 773 O ARG A 49 -10.534 11.502 18.583 1.00 0.00 O ATOM 774 CB ARG A 49 -10.835 9.259 16.642 1.00 0.00 C ATOM 775 CG ARG A 49 -11.532 10.453 15.991 1.00 0.00 C ATOM 776 CD ARG A 49 -12.699 9.939 15.155 1.00 0.00 C ATOM 777 NE ARG A 49 -13.713 9.304 16.005 1.00 0.00 N ATOM 778 CZ ARG A 49 -15.034 9.393 15.804 1.00 0.00 C ATOM 779 NH1 ARG A 49 -15.527 10.079 14.775 1.00 0.00 N ATOM 780 NH2 ARG A 49 -15.866 8.786 16.644 1.00 0.00 N ATOM 0 H ARG A 49 -9.125 8.007 18.560 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.970 10.315 16.709 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.597 8.518 15.879 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.515 8.782 17.348 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.889 11.145 16.754 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.831 11.004 15.364 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.147 10.765 14.603 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.336 9.222 14.418 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.390 8.758 16.803 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.896 10.547 14.125 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.536 10.136 14.637 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.497 8.257 17.434 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.874 8.849 16.498 1.00 0.00 H new ATOM 794 N TYR A 50 -9.223 10.100 19.751 1.00 0.00 N ATOM 795 CA TYR A 50 -9.317 10.819 21.019 1.00 0.00 C ATOM 796 C TYR A 50 -7.960 10.879 21.725 1.00 0.00 C ATOM 797 O TYR A 50 -7.800 11.626 22.690 1.00 0.00 O ATOM 798 CB TYR A 50 -10.308 10.117 21.947 1.00 0.00 C ATOM 799 CG TYR A 50 -11.592 9.681 21.286 1.00 0.00 C ATOM 800 CD1 TYR A 50 -12.624 10.603 21.054 1.00 0.00 C ATOM 801 CD2 TYR A 50 -11.743 8.339 20.909 1.00 0.00 C ATOM 802 CE1 TYR A 50 -13.818 10.176 20.448 1.00 0.00 C ATOM 803 CE2 TYR A 50 -12.930 7.907 20.309 1.00 0.00 C ATOM 804 CZ TYR A 50 -13.976 8.823 20.077 1.00 0.00 C ATOM 805 OH TYR A 50 -15.134 8.406 19.490 1.00 0.00 O ATOM 0 H TYR A 50 -8.659 9.252 19.806 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.653 11.832 20.797 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.823 9.242 22.379 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.550 10.787 22.772 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -12.501 11.637 21.340 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.941 7.637 21.082 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -14.614 10.883 20.266 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -13.045 6.872 20.023 1.00 0.00 H new ATOM 0 HH TYR A 50 -15.644 9.185 19.183 1.00 0.00 H new ATOM 815 N THR A 51 -6.984 10.100 21.249 1.00 0.00 N ATOM 816 CA THR A 51 -5.655 10.046 21.831 1.00 0.00 C ATOM 817 C THR A 51 -4.584 10.210 20.753 1.00 0.00 C ATOM 818 O THR A 51 -3.421 10.449 21.078 1.00 0.00 O ATOM 819 CB THR A 51 -5.483 8.716 22.570 1.00 0.00 C ATOM 820 OG1 THR A 51 -5.340 7.668 21.635 1.00 0.00 O ATOM 821 CG2 THR A 51 -6.694 8.413 23.459 1.00 0.00 C ATOM 0 H THR A 51 -7.103 9.487 20.442 1.00 0.00 H new ATOM 0 HA THR A 51 -5.539 10.867 22.538 1.00 0.00 H new ATOM 0 HB THR A 51 -4.594 8.795 23.196 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.229 6.818 22.110 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.541 7.462 23.970 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.812 9.207 24.197 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.592 8.354 22.843 1.00 0.00 H new ATOM 828 N LYS A 52 -4.985 10.080 19.480 1.00 0.00 N ATOM 829 CA LYS A 52 -4.177 10.243 18.276 1.00 0.00 C ATOM 830 C LYS A 52 -2.689 9.939 18.471 1.00 0.00 C ATOM 831 O LYS A 52 -1.839 10.766 18.149 1.00 0.00 O ATOM 832 CB LYS A 52 -4.419 11.640 17.697 1.00 0.00 C ATOM 833 CG LYS A 52 -4.143 12.749 18.719 1.00 0.00 C ATOM 834 CD LYS A 52 -4.344 14.130 18.092 1.00 0.00 C ATOM 835 CE LYS A 52 -5.794 14.322 17.644 1.00 0.00 C ATOM 836 NZ LYS A 52 -5.998 15.671 17.081 1.00 0.00 N ATOM 0 H LYS A 52 -5.951 9.841 19.256 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.502 9.490 17.558 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.781 11.785 16.825 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.451 11.715 17.353 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.807 12.634 19.575 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.123 12.659 19.093 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.077 14.903 18.813 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.677 14.246 17.238 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.051 13.570 16.898 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.463 14.172 18.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.989 15.777 16.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.774 16.386 17.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.375 15.802 16.259 1.00 0.00 H new ATOM 850 N GLU A 53 -2.366 8.750 18.996 1.00 0.00 N ATOM 851 CA GLU A 53 -0.976 8.425 19.315 1.00 0.00 C ATOM 852 C GLU A 53 -0.580 6.981 18.984 1.00 0.00 C ATOM 853 O GLU A 53 0.590 6.632 19.107 1.00 0.00 O ATOM 854 CB GLU A 53 -0.694 8.721 20.790 1.00 0.00 C ATOM 855 CG GLU A 53 -1.497 7.810 21.723 1.00 0.00 C ATOM 856 CD GLU A 53 -1.179 8.111 23.184 1.00 0.00 C ATOM 857 OE1 GLU A 53 -0.137 7.612 23.666 1.00 0.00 O ATOM 858 OE2 GLU A 53 -1.975 8.842 23.815 1.00 0.00 O ATOM 0 H GLU A 53 -3.037 8.011 19.205 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.363 9.060 18.676 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.370 8.594 20.988 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.936 9.762 21.003 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.563 7.947 21.543 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.269 6.767 21.504 1.00 0.00 H new ATOM 865 N SER A 54 -1.528 6.140 18.560 1.00 0.00 N ATOM 866 CA SER A 54 -1.243 4.752 18.191 1.00 0.00 C ATOM 867 C SER A 54 -0.647 4.665 16.782 1.00 0.00 C ATOM 868 O SER A 54 -0.979 3.758 16.020 1.00 0.00 O ATOM 869 CB SER A 54 -2.521 3.915 18.295 1.00 0.00 C ATOM 870 OG SER A 54 -3.050 4.015 19.599 1.00 0.00 O ATOM 0 H SER A 54 -2.509 6.401 18.464 1.00 0.00 H new ATOM 0 HA SER A 54 -0.502 4.354 18.884 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.254 4.262 17.567 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.305 2.873 18.059 1.00 0.00 H new ATOM 0 HG SER A 54 -3.869 3.480 19.662 1.00 0.00 H new ATOM 876 N ARG A 55 0.232 5.615 16.439 1.00 0.00 N ATOM 877 CA ARG A 55 0.839 5.778 15.119 1.00 0.00 C ATOM 878 C ARG A 55 1.728 4.606 14.680 1.00 0.00 C ATOM 879 O ARG A 55 2.496 4.744 13.732 1.00 0.00 O ATOM 880 CB ARG A 55 1.631 7.091 15.103 1.00 0.00 C ATOM 881 CG ARG A 55 2.845 7.034 16.037 1.00 0.00 C ATOM 882 CD ARG A 55 3.602 8.362 16.015 1.00 0.00 C ATOM 883 NE ARG A 55 4.168 8.640 14.689 1.00 0.00 N ATOM 884 CZ ARG A 55 4.847 9.749 14.389 1.00 0.00 C ATOM 885 NH1 ARG A 55 5.055 10.692 15.308 1.00 0.00 N ATOM 886 NH2 ARG A 55 5.326 9.923 13.164 1.00 0.00 N ATOM 0 H ARG A 55 0.551 6.319 17.105 1.00 0.00 H new ATOM 0 HA ARG A 55 0.025 5.800 14.394 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.964 7.303 14.087 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.980 7.912 15.403 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.519 6.812 17.053 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.509 6.225 15.731 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.928 9.170 16.300 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.402 8.338 16.755 1.00 0.00 H new ATOM 0 HE ARG A 55 4.034 7.945 13.954 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.693 10.571 16.254 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.576 11.535 15.065 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.175 9.209 12.451 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.845 10.771 12.935 1.00 0.00 H new ATOM 900 N GLY A 56 1.633 3.459 15.356 1.00 0.00 N ATOM 901 CA GLY A 56 2.419 2.275 15.036 1.00 0.00 C ATOM 902 C GLY A 56 2.043 1.641 13.698 1.00 0.00 C ATOM 903 O GLY A 56 2.629 0.625 13.325 1.00 0.00 O ATOM 0 H GLY A 56 1.002 3.329 16.147 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.475 2.543 15.019 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.290 1.537 15.828 1.00 0.00 H new ATOM 907 N PHE A 57 1.084 2.220 12.969 1.00 0.00 N ATOM 908 CA PHE A 57 0.680 1.738 11.662 1.00 0.00 C ATOM 909 C PHE A 57 -0.018 2.838 10.873 1.00 0.00 C ATOM 910 O PHE A 57 -0.202 3.950 11.365 1.00 0.00 O ATOM 911 CB PHE A 57 -0.247 0.530 11.822 1.00 0.00 C ATOM 912 CG PHE A 57 -1.622 0.907 12.299 1.00 0.00 C ATOM 913 CD1 PHE A 57 -1.843 1.214 13.646 1.00 0.00 C ATOM 914 CD2 PHE A 57 -2.676 0.956 11.379 1.00 0.00 C ATOM 915 CE1 PHE A 57 -3.126 1.583 14.076 1.00 0.00 C ATOM 916 CE2 PHE A 57 -3.953 1.332 11.807 1.00 0.00 C ATOM 917 CZ PHE A 57 -4.182 1.641 13.155 1.00 0.00 C ATOM 0 H PHE A 57 0.567 3.043 13.280 1.00 0.00 H new ATOM 0 HA PHE A 57 1.570 1.437 11.109 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.329 0.012 10.866 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.197 -0.172 12.528 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.028 1.167 14.353 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.504 0.704 10.343 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.300 1.822 15.115 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.765 1.384 11.097 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.171 1.924 13.484 1.00 0.00 H new ATOM 927 N ALA A 58 -0.406 2.507 9.639 1.00 0.00 N ATOM 928 CA ALA A 58 -1.150 3.394 8.761 1.00 0.00 C ATOM 929 C ALA A 58 -2.020 2.574 7.818 1.00 0.00 C ATOM 930 O ALA A 58 -2.110 1.350 7.952 1.00 0.00 O ATOM 931 CB ALA A 58 -0.179 4.260 7.953 1.00 0.00 C ATOM 0 H ALA A 58 -0.205 1.598 9.221 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.788 4.041 9.363 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.743 4.923 7.297 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.430 4.855 8.633 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.467 3.619 7.353 1.00 0.00 H new ATOM 937 N PHE A 59 -2.663 3.249 6.863 1.00 0.00 N ATOM 938 CA PHE A 59 -3.524 2.612 5.886 1.00 0.00 C ATOM 939 C PHE A 59 -3.533 3.428 4.596 1.00 0.00 C ATOM 940 O PHE A 59 -4.346 4.341 4.452 1.00 0.00 O ATOM 941 CB PHE A 59 -4.934 2.510 6.486 1.00 0.00 C ATOM 942 CG PHE A 59 -5.958 1.689 5.721 1.00 0.00 C ATOM 943 CD1 PHE A 59 -5.822 1.400 4.354 1.00 0.00 C ATOM 944 CD2 PHE A 59 -7.077 1.211 6.418 1.00 0.00 C ATOM 945 CE1 PHE A 59 -6.800 0.642 3.692 1.00 0.00 C ATOM 946 CE2 PHE A 59 -8.058 0.460 5.753 1.00 0.00 C ATOM 947 CZ PHE A 59 -7.917 0.169 4.391 1.00 0.00 C ATOM 0 H PHE A 59 -2.595 4.261 6.752 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.161 1.613 5.644 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.845 2.090 7.488 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.327 3.520 6.598 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.962 1.762 3.810 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.184 1.422 7.472 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.691 0.423 2.640 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.924 0.106 6.293 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.667 -0.418 3.882 1.00 0.00 H new ATOM 957 N VAL A 60 -2.641 3.112 3.651 1.00 0.00 N ATOM 958 CA VAL A 60 -2.790 3.688 2.311 1.00 0.00 C ATOM 959 C VAL A 60 -3.500 2.669 1.440 1.00 0.00 C ATOM 960 O VAL A 60 -3.520 1.485 1.775 1.00 0.00 O ATOM 961 CB VAL A 60 -1.499 4.187 1.639 1.00 0.00 C ATOM 962 CG1 VAL A 60 -0.749 5.174 2.527 1.00 0.00 C ATOM 963 CG2 VAL A 60 -0.525 3.110 1.178 1.00 0.00 C ATOM 0 H VAL A 60 -1.843 2.490 3.778 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.373 4.601 2.431 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.868 4.672 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.157 5.504 2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.385 6.035 2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.482 4.689 3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.346 3.579 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.209 2.515 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.015 2.465 0.449 1.00 0.00 H new ATOM 973 N ARG A 61 -4.081 3.122 0.327 1.00 0.00 N ATOM 974 CA ARG A 61 -4.857 2.259 -0.545 1.00 0.00 C ATOM 975 C ARG A 61 -4.601 2.577 -2.009 1.00 0.00 C ATOM 976 O ARG A 61 -4.364 3.727 -2.381 1.00 0.00 O ATOM 977 CB ARG A 61 -6.344 2.386 -0.192 1.00 0.00 C ATOM 978 CG ARG A 61 -7.263 2.069 -1.377 1.00 0.00 C ATOM 979 CD ARG A 61 -8.742 2.059 -0.992 1.00 0.00 C ATOM 980 NE ARG A 61 -9.109 3.208 -0.159 1.00 0.00 N ATOM 981 CZ ARG A 61 -9.232 3.131 1.170 1.00 0.00 C ATOM 982 NH1 ARG A 61 -9.011 1.984 1.802 1.00 0.00 N ATOM 983 NH2 ARG A 61 -9.579 4.199 1.877 1.00 0.00 N ATOM 0 H ARG A 61 -4.024 4.091 0.013 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.546 1.226 -0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.576 1.712 0.633 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.545 3.399 0.157 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.102 2.806 -2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.993 1.097 -1.791 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.350 2.060 -1.896 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.969 1.137 -0.456 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.278 4.106 -0.613 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.745 1.153 1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.107 1.934 2.816 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.754 5.087 1.407 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.671 4.132 2.891 1.00 0.00 H new ATOM 997 N PHE A 62 -4.663 1.522 -2.824 1.00 0.00 N ATOM 998 CA PHE A 62 -4.630 1.627 -4.272 1.00 0.00 C ATOM 999 C PHE A 62 -5.958 1.123 -4.819 1.00 0.00 C ATOM 1000 O PHE A 62 -6.682 0.416 -4.121 1.00 0.00 O ATOM 1001 CB PHE A 62 -3.480 0.802 -4.847 1.00 0.00 C ATOM 1002 CG PHE A 62 -2.111 1.303 -4.439 1.00 0.00 C ATOM 1003 CD1 PHE A 62 -1.733 1.300 -3.085 1.00 0.00 C ATOM 1004 CD2 PHE A 62 -1.223 1.770 -5.416 1.00 0.00 C ATOM 1005 CE1 PHE A 62 -0.481 1.798 -2.706 1.00 0.00 C ATOM 1006 CE2 PHE A 62 0.045 2.239 -5.041 1.00 0.00 C ATOM 1007 CZ PHE A 62 0.414 2.240 -3.689 1.00 0.00 C ATOM 0 H PHE A 62 -4.738 0.562 -2.486 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.473 2.666 -4.560 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.590 -0.233 -4.524 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.550 0.806 -5.935 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.409 0.913 -2.337 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.514 1.769 -6.456 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.207 1.841 -1.662 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.734 2.598 -5.791 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.397 2.584 -3.402 1.00 0.00 H new ATOM 1017 N HIS A 63 -6.278 1.482 -6.066 1.00 0.00 N ATOM 1018 CA HIS A 63 -7.569 1.142 -6.649 1.00 0.00 C ATOM 1019 C HIS A 63 -7.453 0.639 -8.083 1.00 0.00 C ATOM 1020 O HIS A 63 -8.434 0.614 -8.822 1.00 0.00 O ATOM 1021 CB HIS A 63 -8.517 2.328 -6.537 1.00 0.00 C ATOM 1022 CG HIS A 63 -8.141 3.512 -7.389 1.00 0.00 C ATOM 1023 ND1 HIS A 63 -8.693 3.806 -8.635 1.00 0.00 N ATOM 1024 CD2 HIS A 63 -7.229 4.474 -7.065 1.00 0.00 C ATOM 1025 CE1 HIS A 63 -8.114 4.948 -9.025 1.00 0.00 C ATOM 1026 NE2 HIS A 63 -7.227 5.374 -8.108 1.00 0.00 N ATOM 0 H HIS A 63 -5.660 2.006 -6.685 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.983 0.310 -6.079 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -9.520 2.002 -6.813 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.560 2.645 -5.495 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.628 4.521 -6.169 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -8.330 5.459 -9.952 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -6.654 6.215 -8.173 1.00 0.00 H new ATOM 1034 N ASP A 64 -6.246 0.234 -8.470 1.00 0.00 N ATOM 1035 CA ASP A 64 -6.011 -0.416 -9.750 1.00 0.00 C ATOM 1036 C ASP A 64 -5.111 -1.629 -9.539 1.00 0.00 C ATOM 1037 O ASP A 64 -4.104 -1.547 -8.835 1.00 0.00 O ATOM 1038 CB ASP A 64 -5.416 0.567 -10.759 1.00 0.00 C ATOM 1039 CG ASP A 64 -5.316 -0.058 -12.150 1.00 0.00 C ATOM 1040 OD1 ASP A 64 -4.496 -0.989 -12.309 1.00 0.00 O ATOM 1041 OD2 ASP A 64 -6.063 0.394 -13.044 1.00 0.00 O ATOM 0 H ASP A 64 -5.406 0.349 -7.903 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.959 -0.757 -10.166 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.034 1.464 -10.804 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.426 0.879 -10.426 1.00 0.00 H new ATOM 1046 N LYS A 65 -5.483 -2.754 -10.150 1.00 0.00 N ATOM 1047 CA LYS A 65 -4.827 -4.033 -9.925 1.00 0.00 C ATOM 1048 C LYS A 65 -3.357 -4.015 -10.327 1.00 0.00 C ATOM 1049 O LYS A 65 -2.536 -4.638 -9.660 1.00 0.00 O ATOM 1050 CB LYS A 65 -5.538 -5.127 -10.727 1.00 0.00 C ATOM 1051 CG LYS A 65 -6.984 -5.322 -10.258 1.00 0.00 C ATOM 1052 CD LYS A 65 -7.690 -6.375 -11.110 1.00 0.00 C ATOM 1053 CE LYS A 65 -6.936 -7.703 -11.086 1.00 0.00 C ATOM 1054 NZ LYS A 65 -7.649 -8.734 -11.866 1.00 0.00 N ATOM 0 H LYS A 65 -6.253 -2.799 -10.818 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.883 -4.234 -8.855 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.530 -4.866 -11.785 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.993 -6.065 -10.626 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.994 -5.627 -9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.522 -4.376 -10.320 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.705 -6.524 -10.741 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.773 -6.020 -12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.934 -7.563 -11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.818 -8.039 -10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.115 -9.626 -11.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.596 -8.882 -11.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.739 -8.421 -12.854 1.00 0.00 H new ATOM 1068 N ARG A 66 -3.004 -3.315 -11.404 1.00 0.00 N ATOM 1069 CA ARG A 66 -1.646 -3.404 -11.929 1.00 0.00 C ATOM 1070 C ARG A 66 -0.658 -2.729 -10.980 1.00 0.00 C ATOM 1071 O ARG A 66 0.438 -3.236 -10.746 1.00 0.00 O ATOM 1072 CB ARG A 66 -1.611 -2.824 -13.348 1.00 0.00 C ATOM 1073 CG ARG A 66 -1.405 -1.301 -13.366 1.00 0.00 C ATOM 1074 CD ARG A 66 -1.810 -0.710 -14.710 1.00 0.00 C ATOM 1075 NE ARG A 66 -3.269 -0.574 -14.780 1.00 0.00 N ATOM 1076 CZ ARG A 66 -3.965 -0.273 -15.880 1.00 0.00 C ATOM 1077 NH1 ARG A 66 -3.360 -0.131 -17.059 1.00 0.00 N ATOM 1078 NH2 ARG A 66 -5.281 -0.115 -15.794 1.00 0.00 N ATOM 0 H ARG A 66 -3.626 -2.693 -11.920 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.337 -4.447 -11.995 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.808 -3.301 -13.910 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.544 -3.066 -13.857 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.993 -0.842 -12.571 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.359 -1.070 -13.164 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.339 0.264 -14.845 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.457 -1.350 -15.519 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.795 -0.721 -13.919 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.350 -0.252 -17.132 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.907 0.099 -17.889 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.750 -0.224 -14.895 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.823 0.115 -16.627 1.00 0.00 H new ATOM 1092 N ASP A 67 -1.056 -1.577 -10.432 1.00 0.00 N ATOM 1093 CA ASP A 67 -0.216 -0.832 -9.515 1.00 0.00 C ATOM 1094 C ASP A 67 -0.301 -1.449 -8.123 1.00 0.00 C ATOM 1095 O ASP A 67 0.626 -1.318 -7.327 1.00 0.00 O ATOM 1096 CB ASP A 67 -0.673 0.626 -9.477 1.00 0.00 C ATOM 1097 CG ASP A 67 -0.491 1.318 -10.827 1.00 0.00 C ATOM 1098 OD1 ASP A 67 0.495 0.990 -11.527 1.00 0.00 O ATOM 1099 OD2 ASP A 67 -1.341 2.177 -11.151 1.00 0.00 O ATOM 0 H ASP A 67 -1.962 -1.145 -10.615 1.00 0.00 H new ATOM 0 HA ASP A 67 0.819 -0.871 -9.853 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.722 0.670 -9.186 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.108 1.163 -8.715 1.00 0.00 H new ATOM 1104 N ALA A 68 -1.413 -2.125 -7.824 1.00 0.00 N ATOM 1105 CA ALA A 68 -1.593 -2.756 -6.533 1.00 0.00 C ATOM 1106 C ALA A 68 -0.802 -4.060 -6.442 1.00 0.00 C ATOM 1107 O ALA A 68 -0.285 -4.392 -5.376 1.00 0.00 O ATOM 1108 CB ALA A 68 -3.081 -3.028 -6.314 1.00 0.00 C ATOM 0 H ALA A 68 -2.197 -2.244 -8.465 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.220 -2.086 -5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.225 -3.503 -5.344 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.631 -2.087 -6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.450 -3.688 -7.099 1.00 0.00 H new ATOM 1114 N GLU A 69 -0.697 -4.801 -7.548 1.00 0.00 N ATOM 1115 CA GLU A 69 0.067 -6.038 -7.548 1.00 0.00 C ATOM 1116 C GLU A 69 1.556 -5.740 -7.461 1.00 0.00 C ATOM 1117 O GLU A 69 2.298 -6.514 -6.860 1.00 0.00 O ATOM 1118 CB GLU A 69 -0.234 -6.858 -8.807 1.00 0.00 C ATOM 1119 CG GLU A 69 -1.612 -7.514 -8.719 1.00 0.00 C ATOM 1120 CD GLU A 69 -1.901 -8.359 -9.960 1.00 0.00 C ATOM 1121 OE1 GLU A 69 -1.322 -9.464 -10.055 1.00 0.00 O ATOM 1122 OE2 GLU A 69 -2.703 -7.899 -10.807 1.00 0.00 O ATOM 0 H GLU A 69 -1.128 -4.565 -8.442 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.226 -6.622 -6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.190 -6.213 -9.684 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.530 -7.625 -8.937 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.663 -8.141 -7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.378 -6.746 -8.612 1.00 0.00 H new ATOM 1129 N ASP A 70 2.016 -4.630 -8.046 1.00 0.00 N ATOM 1130 CA ASP A 70 3.415 -4.251 -7.899 1.00 0.00 C ATOM 1131 C ASP A 70 3.696 -3.761 -6.481 1.00 0.00 C ATOM 1132 O ASP A 70 4.754 -4.048 -5.918 1.00 0.00 O ATOM 1133 CB ASP A 70 3.753 -3.131 -8.880 1.00 0.00 C ATOM 1134 CG ASP A 70 3.840 -3.611 -10.328 1.00 0.00 C ATOM 1135 OD1 ASP A 70 4.061 -4.826 -10.533 1.00 0.00 O ATOM 1136 OD2 ASP A 70 3.687 -2.751 -11.225 1.00 0.00 O ATOM 0 H ASP A 70 1.452 -3.995 -8.611 1.00 0.00 H new ATOM 0 HA ASP A 70 4.028 -5.129 -8.104 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.996 -2.351 -8.807 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.704 -2.680 -8.595 1.00 0.00 H new ATOM 1141 N ALA A 71 2.747 -3.022 -5.897 1.00 0.00 N ATOM 1142 CA ALA A 71 2.933 -2.450 -4.575 1.00 0.00 C ATOM 1143 C ALA A 71 3.163 -3.537 -3.531 1.00 0.00 C ATOM 1144 O ALA A 71 3.923 -3.321 -2.592 1.00 0.00 O ATOM 1145 CB ALA A 71 1.724 -1.593 -4.215 1.00 0.00 C ATOM 0 H ALA A 71 1.846 -2.810 -6.325 1.00 0.00 H new ATOM 0 HA ALA A 71 3.823 -1.820 -4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.864 -1.164 -3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.616 -0.791 -4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.826 -2.211 -4.219 1.00 0.00 H new ATOM 1151 N MET A 72 2.530 -4.704 -3.675 1.00 0.00 N ATOM 1152 CA MET A 72 2.747 -5.774 -2.709 1.00 0.00 C ATOM 1153 C MET A 72 3.935 -6.638 -3.123 1.00 0.00 C ATOM 1154 O MET A 72 4.602 -7.222 -2.272 1.00 0.00 O ATOM 1155 CB MET A 72 1.483 -6.623 -2.561 1.00 0.00 C ATOM 1156 CG MET A 72 1.218 -7.411 -3.834 1.00 0.00 C ATOM 1157 SD MET A 72 -0.340 -8.326 -3.854 1.00 0.00 S ATOM 1158 CE MET A 72 -0.081 -9.223 -5.403 1.00 0.00 C ATOM 0 H MET A 72 1.881 -4.925 -4.430 1.00 0.00 H new ATOM 0 HA MET A 72 2.974 -5.327 -1.741 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.594 -7.307 -1.720 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.630 -5.981 -2.340 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.229 -6.722 -4.679 1.00 0.00 H new ATOM 0 HG3 MET A 72 2.037 -8.114 -3.986 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.030 -9.320 -5.930 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.626 -8.676 -6.026 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.317 -10.214 -5.187 1.00 0.00 H new ATOM 1168 N ASP A 73 4.218 -6.726 -4.424 1.00 0.00 N ATOM 1169 CA ASP A 73 5.350 -7.496 -4.914 1.00 0.00 C ATOM 1170 C ASP A 73 6.676 -6.845 -4.515 1.00 0.00 C ATOM 1171 O ASP A 73 7.738 -7.441 -4.692 1.00 0.00 O ATOM 1172 CB ASP A 73 5.244 -7.637 -6.432 1.00 0.00 C ATOM 1173 CG ASP A 73 6.354 -8.511 -6.999 1.00 0.00 C ATOM 1174 OD1 ASP A 73 6.406 -9.702 -6.618 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.149 -7.986 -7.812 1.00 0.00 O ATOM 0 H ASP A 73 3.673 -6.270 -5.155 1.00 0.00 H new ATOM 0 HA ASP A 73 5.328 -8.487 -4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.276 -8.066 -6.690 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.288 -6.650 -6.892 1.00 0.00 H new ATOM 1180 N ALA A 74 6.626 -5.621 -3.977 1.00 0.00 N ATOM 1181 CA ALA A 74 7.829 -4.898 -3.580 1.00 0.00 C ATOM 1182 C ALA A 74 7.750 -4.265 -2.188 1.00 0.00 C ATOM 1183 O ALA A 74 8.751 -3.727 -1.721 1.00 0.00 O ATOM 1184 CB ALA A 74 8.072 -3.828 -4.630 1.00 0.00 C ATOM 0 H ALA A 74 5.758 -5.112 -3.808 1.00 0.00 H new ATOM 0 HA ALA A 74 8.651 -5.612 -3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.966 -3.261 -4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.210 -4.298 -5.604 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.215 -3.156 -4.670 1.00 0.00 H new ATOM 1190 N MET A 75 6.591 -4.316 -1.519 1.00 0.00 N ATOM 1191 CA MET A 75 6.473 -3.818 -0.147 1.00 0.00 C ATOM 1192 C MET A 75 5.931 -4.861 0.830 1.00 0.00 C ATOM 1193 O MET A 75 6.143 -4.702 2.031 1.00 0.00 O ATOM 1194 CB MET A 75 5.538 -2.611 -0.089 1.00 0.00 C ATOM 1195 CG MET A 75 5.986 -1.409 -0.918 1.00 0.00 C ATOM 1196 SD MET A 75 7.392 -0.484 -0.245 1.00 0.00 S ATOM 1197 CE MET A 75 6.791 1.198 -0.558 1.00 0.00 C ATOM 0 H MET A 75 5.727 -4.696 -1.905 1.00 0.00 H new ATOM 0 HA MET A 75 7.487 -3.552 0.150 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.549 -2.919 -0.428 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.435 -2.299 0.950 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.245 -1.755 -1.919 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.142 -0.728 -1.025 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.567 1.774 -1.063 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.903 1.156 -1.188 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.542 1.677 0.389 1.00 0.00 H new ATOM 1207 N ASP A 76 5.243 -5.912 0.369 1.00 0.00 N ATOM 1208 CA ASP A 76 4.717 -6.931 1.274 1.00 0.00 C ATOM 1209 C ASP A 76 5.825 -7.862 1.778 1.00 0.00 C ATOM 1210 O ASP A 76 5.805 -9.067 1.534 1.00 0.00 O ATOM 1211 CB ASP A 76 3.593 -7.721 0.607 1.00 0.00 C ATOM 1212 CG ASP A 76 2.914 -8.675 1.588 1.00 0.00 C ATOM 1213 OD1 ASP A 76 2.752 -8.279 2.765 1.00 0.00 O ATOM 1214 OD2 ASP A 76 2.563 -9.794 1.156 1.00 0.00 O ATOM 0 H ASP A 76 5.041 -6.075 -0.617 1.00 0.00 H new ATOM 0 HA ASP A 76 4.302 -6.420 2.143 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.854 -7.030 0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.995 -8.288 -0.233 1.00 0.00 H new ATOM 1219 N GLY A 77 6.804 -7.290 2.482 1.00 0.00 N ATOM 1220 CA GLY A 77 7.972 -8.002 2.972 1.00 0.00 C ATOM 1221 C GLY A 77 9.187 -7.081 3.104 1.00 0.00 C ATOM 1222 O GLY A 77 10.228 -7.509 3.603 1.00 0.00 O ATOM 0 H GLY A 77 6.801 -6.300 2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.746 -8.446 3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.209 -8.821 2.293 1.00 0.00 H new ATOM 1226 N ALA A 78 9.062 -5.827 2.664 1.00 0.00 N ATOM 1227 CA ALA A 78 10.128 -4.841 2.733 1.00 0.00 C ATOM 1228 C ALA A 78 10.413 -4.424 4.174 1.00 0.00 C ATOM 1229 O ALA A 78 9.786 -4.920 5.111 1.00 0.00 O ATOM 1230 CB ALA A 78 9.718 -3.637 1.880 1.00 0.00 C ATOM 0 H ALA A 78 8.204 -5.469 2.245 1.00 0.00 H new ATOM 0 HA ALA A 78 11.052 -5.273 2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.503 -2.882 1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.568 -3.956 0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.791 -3.215 2.268 1.00 0.00 H new ATOM 1236 N VAL A 79 11.363 -3.505 4.344 1.00 0.00 N ATOM 1237 CA VAL A 79 11.805 -3.036 5.651 1.00 0.00 C ATOM 1238 C VAL A 79 11.951 -1.521 5.618 1.00 0.00 C ATOM 1239 O VAL A 79 12.627 -0.980 4.742 1.00 0.00 O ATOM 1240 CB VAL A 79 13.152 -3.690 6.006 1.00 0.00 C ATOM 1241 CG1 VAL A 79 13.634 -3.227 7.378 1.00 0.00 C ATOM 1242 CG2 VAL A 79 13.037 -5.215 5.990 1.00 0.00 C ATOM 0 H VAL A 79 11.852 -3.062 3.566 1.00 0.00 H new ATOM 0 HA VAL A 79 11.070 -3.309 6.408 1.00 0.00 H new ATOM 0 HB VAL A 79 13.878 -3.383 5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.588 -3.702 7.608 1.00 0.00 H new ATOM 0 HG12 VAL A 79 13.760 -2.144 7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.899 -3.504 8.134 1.00 0.00 H new ATOM 0 HG21 VAL A 79 14.001 -5.655 6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.291 -5.531 6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.737 -5.547 4.996 1.00 0.00 H new ATOM 1252 N LEU A 80 11.315 -0.838 6.572 1.00 0.00 N ATOM 1253 CA LEU A 80 11.376 0.613 6.671 1.00 0.00 C ATOM 1254 C LEU A 80 12.713 1.025 7.283 1.00 0.00 C ATOM 1255 O LEU A 80 13.440 1.825 6.696 1.00 0.00 O ATOM 1256 CB LEU A 80 10.197 1.073 7.537 1.00 0.00 C ATOM 1257 CG LEU A 80 9.905 2.580 7.548 1.00 0.00 C ATOM 1258 CD1 LEU A 80 11.003 3.409 8.214 1.00 0.00 C ATOM 1259 CD2 LEU A 80 9.670 3.096 6.126 1.00 0.00 C ATOM 0 H LEU A 80 10.745 -1.279 7.294 1.00 0.00 H new ATOM 0 HA LEU A 80 11.305 1.080 5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.301 0.554 7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.381 0.753 8.563 1.00 0.00 H new ATOM 0 HG LEU A 80 9.002 2.702 8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.730 4.464 8.186 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.120 3.092 9.250 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.943 3.263 7.681 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.465 4.166 6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.559 2.914 5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.819 2.576 5.686 1.00 0.00 H new ATOM 1271 N ASP A 81 13.037 0.476 8.456 1.00 0.00 N ATOM 1272 CA ASP A 81 14.294 0.770 9.137 1.00 0.00 C ATOM 1273 C ASP A 81 14.817 -0.409 9.965 1.00 0.00 C ATOM 1274 O ASP A 81 15.988 -0.410 10.342 1.00 0.00 O ATOM 1275 CB ASP A 81 14.071 1.992 10.034 1.00 0.00 C ATOM 1276 CG ASP A 81 15.368 2.461 10.697 1.00 0.00 C ATOM 1277 OD1 ASP A 81 16.278 2.886 9.952 1.00 0.00 O ATOM 1278 OD2 ASP A 81 15.441 2.396 11.945 1.00 0.00 O ATOM 0 H ASP A 81 12.437 -0.181 8.956 1.00 0.00 H new ATOM 0 HA ASP A 81 15.056 0.968 8.383 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.652 2.805 9.441 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.338 1.748 10.803 1.00 0.00 H new ATOM 1283 N GLY A 82 13.982 -1.413 10.249 1.00 0.00 N ATOM 1284 CA GLY A 82 14.411 -2.580 11.012 1.00 0.00 C ATOM 1285 C GLY A 82 13.267 -3.507 11.419 1.00 0.00 C ATOM 1286 O GLY A 82 13.401 -4.264 12.381 1.00 0.00 O ATOM 0 H GLY A 82 13.004 -1.437 9.960 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.130 -3.145 10.419 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.931 -2.244 11.909 1.00 0.00 H new ATOM 1290 N ARG A 83 12.142 -3.455 10.701 1.00 0.00 N ATOM 1291 CA ARG A 83 10.970 -4.281 10.948 1.00 0.00 C ATOM 1292 C ARG A 83 10.461 -4.824 9.620 1.00 0.00 C ATOM 1293 O ARG A 83 11.239 -5.043 8.698 1.00 0.00 O ATOM 1294 CB ARG A 83 9.911 -3.459 11.687 1.00 0.00 C ATOM 1295 CG ARG A 83 9.544 -2.194 10.913 1.00 0.00 C ATOM 1296 CD ARG A 83 8.204 -1.668 11.409 1.00 0.00 C ATOM 1297 NE ARG A 83 8.181 -1.503 12.870 1.00 0.00 N ATOM 1298 CZ ARG A 83 7.090 -1.672 13.624 1.00 0.00 C ATOM 1299 NH1 ARG A 83 5.923 -1.978 13.068 1.00 0.00 N ATOM 1300 NH2 ARG A 83 7.162 -1.535 14.944 1.00 0.00 N ATOM 0 H ARG A 83 12.024 -2.819 9.913 1.00 0.00 H new ATOM 0 HA ARG A 83 11.221 -5.131 11.583 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.018 -4.066 11.839 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.284 -3.187 12.675 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.316 -1.436 11.046 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.490 -2.410 9.846 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.992 -0.710 10.933 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.412 -2.355 11.110 1.00 0.00 H new ATOM 0 HE ARG A 83 9.050 -1.244 13.337 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.853 -2.086 12.056 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.097 -2.105 13.653 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.051 -1.300 15.385 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.328 -1.665 15.516 1.00 0.00 H new ATOM 1314 N GLU A 84 9.155 -5.043 9.525 1.00 0.00 N ATOM 1315 CA GLU A 84 8.523 -5.530 8.311 1.00 0.00 C ATOM 1316 C GLU A 84 7.479 -4.535 7.831 1.00 0.00 C ATOM 1317 O GLU A 84 7.081 -3.635 8.569 1.00 0.00 O ATOM 1318 CB GLU A 84 7.858 -6.879 8.596 1.00 0.00 C ATOM 1319 CG GLU A 84 8.917 -7.970 8.766 1.00 0.00 C ATOM 1320 CD GLU A 84 8.272 -9.343 8.942 1.00 0.00 C ATOM 1321 OE1 GLU A 84 7.996 -9.706 10.109 1.00 0.00 O ATOM 1322 OE2 GLU A 84 8.059 -10.017 7.913 1.00 0.00 O ATOM 0 H GLU A 84 8.503 -4.886 10.294 1.00 0.00 H new ATOM 0 HA GLU A 84 9.278 -5.649 7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.251 -6.809 9.498 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.186 -7.140 7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.573 -7.982 7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.540 -7.744 9.632 1.00 0.00 H new ATOM 1329 N LEU A 85 7.037 -4.706 6.586 1.00 0.00 N ATOM 1330 CA LEU A 85 5.965 -3.911 6.004 1.00 0.00 C ATOM 1331 C LEU A 85 4.933 -4.857 5.413 1.00 0.00 C ATOM 1332 O LEU A 85 5.237 -6.012 5.116 1.00 0.00 O ATOM 1333 CB LEU A 85 6.536 -2.956 4.951 1.00 0.00 C ATOM 1334 CG LEU A 85 7.479 -1.915 5.567 1.00 0.00 C ATOM 1335 CD1 LEU A 85 8.042 -1.016 4.468 1.00 0.00 C ATOM 1336 CD2 LEU A 85 6.742 -1.035 6.573 1.00 0.00 C ATOM 0 H LEU A 85 7.418 -5.407 5.950 1.00 0.00 H new ATOM 0 HA LEU A 85 5.482 -3.298 6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.073 -3.529 4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.718 -2.447 4.442 1.00 0.00 H new ATOM 0 HG LEU A 85 8.281 -2.450 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 85 8.711 -0.278 4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.593 -1.622 3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.223 -0.506 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.434 -0.306 6.994 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.927 -0.514 6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.338 -1.656 7.373 1.00 0.00 H new ATOM 1348 N ARG A 86 3.700 -4.366 5.242 1.00 0.00 N ATOM 1349 CA ARG A 86 2.580 -5.188 4.815 1.00 0.00 C ATOM 1350 C ARG A 86 1.730 -4.448 3.803 1.00 0.00 C ATOM 1351 O ARG A 86 1.470 -3.255 3.953 1.00 0.00 O ATOM 1352 CB ARG A 86 1.732 -5.551 6.037 1.00 0.00 C ATOM 1353 CG ARG A 86 2.307 -6.731 6.823 1.00 0.00 C ATOM 1354 CD ARG A 86 2.340 -7.983 5.945 1.00 0.00 C ATOM 1355 NE ARG A 86 2.792 -9.164 6.688 1.00 0.00 N ATOM 1356 CZ ARG A 86 3.266 -10.260 6.092 1.00 0.00 C ATOM 1357 NH1 ARG A 86 3.356 -10.327 4.765 1.00 0.00 N ATOM 1358 NH2 ARG A 86 3.655 -11.300 6.823 1.00 0.00 N ATOM 0 H ARG A 86 3.459 -3.387 5.398 1.00 0.00 H new ATOM 0 HA ARG A 86 2.962 -6.094 4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.657 -4.684 6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.720 -5.794 5.713 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.313 -6.493 7.167 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.702 -6.916 7.711 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.345 -8.168 5.540 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.003 -7.813 5.096 1.00 0.00 H new ATOM 0 HE ARG A 86 2.742 -9.147 7.707 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.061 -9.535 4.193 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.720 -11.170 4.320 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.591 -11.261 7.840 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.017 -12.137 6.367 1.00 0.00 H new ATOM 1372 N VAL A 87 1.308 -5.185 2.777 1.00 0.00 N ATOM 1373 CA VAL A 87 0.505 -4.668 1.683 1.00 0.00 C ATOM 1374 C VAL A 87 -0.330 -5.810 1.123 1.00 0.00 C ATOM 1375 O VAL A 87 0.228 -6.792 0.630 1.00 0.00 O ATOM 1376 CB VAL A 87 1.421 -4.124 0.582 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.575 -3.589 -0.569 1.00 0.00 C ATOM 1378 CG2 VAL A 87 2.315 -3.001 1.100 1.00 0.00 C ATOM 0 H VAL A 87 1.522 -6.178 2.686 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.139 -3.864 2.040 1.00 0.00 H new ATOM 0 HB VAL A 87 2.055 -4.943 0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.228 -3.202 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.039 -4.393 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.069 -2.788 -0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.951 -2.640 0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.695 -2.183 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.938 -3.377 1.911 1.00 0.00 H new ATOM 1388 N GLN A 88 -1.658 -5.694 1.193 1.00 0.00 N ATOM 1389 CA GLN A 88 -2.544 -6.728 0.684 1.00 0.00 C ATOM 1390 C GLN A 88 -3.931 -6.150 0.406 1.00 0.00 C ATOM 1391 O GLN A 88 -4.236 -5.027 0.805 1.00 0.00 O ATOM 1392 CB GLN A 88 -2.634 -7.897 1.672 1.00 0.00 C ATOM 1393 CG GLN A 88 -3.155 -7.501 3.063 1.00 0.00 C ATOM 1394 CD GLN A 88 -2.116 -6.755 3.899 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -0.928 -7.065 3.869 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -2.564 -5.760 4.656 1.00 0.00 N ATOM 0 H GLN A 88 -2.138 -4.891 1.599 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.133 -7.105 -0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.288 -8.663 1.255 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.646 -8.346 1.779 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.040 -6.874 2.949 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.467 -8.398 3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.557 -5.528 4.658 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.915 -5.228 5.235 1.00 0.00 H new ATOM 1405 N MET A 89 -4.773 -6.919 -0.285 1.00 0.00 N ATOM 1406 CA MET A 89 -6.105 -6.470 -0.659 1.00 0.00 C ATOM 1407 C MET A 89 -6.977 -6.288 0.582 1.00 0.00 C ATOM 1408 O MET A 89 -6.809 -6.996 1.576 1.00 0.00 O ATOM 1409 CB MET A 89 -6.731 -7.484 -1.619 1.00 0.00 C ATOM 1410 CG MET A 89 -5.822 -7.698 -2.834 1.00 0.00 C ATOM 1411 SD MET A 89 -5.493 -6.195 -3.793 1.00 0.00 S ATOM 1412 CE MET A 89 -4.083 -6.779 -4.772 1.00 0.00 C ATOM 0 H MET A 89 -4.549 -7.864 -0.597 1.00 0.00 H new ATOM 0 HA MET A 89 -6.032 -5.505 -1.160 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.891 -8.432 -1.104 1.00 0.00 H new ATOM 0 HB3 MET A 89 -7.709 -7.130 -1.946 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.873 -8.113 -2.495 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.279 -8.440 -3.489 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.740 -5.980 -5.429 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.273 -7.072 -4.104 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.387 -7.637 -5.372 1.00 0.00 H new ATOM 1422 N ALA A 90 -7.915 -5.336 0.529 1.00 0.00 N ATOM 1423 CA ALA A 90 -8.812 -5.062 1.644 1.00 0.00 C ATOM 1424 C ALA A 90 -9.913 -6.126 1.741 1.00 0.00 C ATOM 1425 O ALA A 90 -9.963 -7.055 0.934 1.00 0.00 O ATOM 1426 CB ALA A 90 -9.420 -3.668 1.480 1.00 0.00 C ATOM 0 H ALA A 90 -8.069 -4.740 -0.285 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.240 -5.096 2.571 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.091 -3.463 2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.624 -2.924 1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.979 -3.622 0.545 1.00 0.00 H new ATOM 1432 N ARG A 91 -10.794 -5.980 2.739 1.00 0.00 N ATOM 1433 CA ARG A 91 -11.899 -6.910 2.972 1.00 0.00 C ATOM 1434 C ARG A 91 -13.194 -6.196 3.340 1.00 0.00 C ATOM 1435 O ARG A 91 -14.249 -6.827 3.435 1.00 0.00 O ATOM 1436 CB ARG A 91 -11.518 -7.859 4.105 1.00 0.00 C ATOM 1437 CG ARG A 91 -11.532 -7.137 5.453 1.00 0.00 C ATOM 1438 CD ARG A 91 -10.880 -7.984 6.547 1.00 0.00 C ATOM 1439 NE ARG A 91 -11.651 -9.203 6.811 1.00 0.00 N ATOM 1440 CZ ARG A 91 -11.312 -10.121 7.722 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -10.220 -9.967 8.467 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -12.074 -11.199 7.889 1.00 0.00 N ATOM 0 H ARG A 91 -10.758 -5.211 3.408 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.074 -7.453 2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -12.213 -8.698 4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.526 -8.272 3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.005 -6.187 5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.560 -6.907 5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.866 -8.251 6.247 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.798 -7.398 7.462 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.499 -9.360 6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.632 -9.142 8.346 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.971 -10.674 9.159 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.913 -11.323 7.323 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.819 -11.902 8.583 1.00 0.00 H new ATOM 1456 N TYR A 92 -13.105 -4.885 3.547 1.00 0.00 N ATOM 1457 CA TYR A 92 -14.235 -4.055 3.929 1.00 0.00 C ATOM 1458 C TYR A 92 -14.309 -2.808 3.043 1.00 0.00 C ATOM 1459 O TYR A 92 -13.462 -2.600 2.178 1.00 0.00 O ATOM 1460 CB TYR A 92 -14.114 -3.641 5.403 1.00 0.00 C ATOM 1461 CG TYR A 92 -14.077 -4.786 6.393 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -15.056 -5.791 6.349 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -13.065 -4.827 7.360 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -15.021 -6.845 7.275 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -13.024 -5.872 8.294 1.00 0.00 C ATOM 1466 CZ TYR A 92 -14.002 -6.887 8.252 1.00 0.00 C ATOM 1467 OH TYR A 92 -13.968 -7.905 9.159 1.00 0.00 O ATOM 0 H TYR A 92 -12.232 -4.366 3.452 1.00 0.00 H new ATOM 0 HA TYR A 92 -15.148 -4.634 3.795 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -13.208 -3.048 5.524 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -14.955 -2.993 5.652 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -15.836 -5.753 5.603 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.314 -4.051 7.386 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.771 -7.621 7.241 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.246 -5.899 9.043 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.203 -7.783 9.759 1.00 0.00 H new ATOM 1477 N GLY A 93 -15.332 -1.981 3.273 1.00 0.00 N ATOM 1478 CA GLY A 93 -15.550 -0.743 2.537 1.00 0.00 C ATOM 1479 C GLY A 93 -15.675 0.441 3.492 1.00 0.00 C ATOM 1480 O GLY A 93 -16.217 1.469 3.099 1.00 0.00 O ATOM 0 H GLY A 93 -16.039 -2.159 3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.723 -0.574 1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -16.455 -0.827 1.935 1.00 0.00 H new ATOM 1484 N ARG A 94 -15.169 0.252 4.719 1.00 0.00 N ATOM 1485 CA ARG A 94 -15.086 1.141 5.875 1.00 0.00 C ATOM 1486 C ARG A 94 -15.794 0.481 7.060 1.00 0.00 C ATOM 1487 O ARG A 94 -16.765 -0.246 6.870 1.00 0.00 O ATOM 1488 CB ARG A 94 -15.620 2.546 5.608 1.00 0.00 C ATOM 1489 CG ARG A 94 -14.603 3.307 4.751 1.00 0.00 C ATOM 1490 CD ARG A 94 -15.091 4.723 4.442 1.00 0.00 C ATOM 1491 NE ARG A 94 -15.016 5.583 5.633 1.00 0.00 N ATOM 1492 CZ ARG A 94 -15.576 6.792 5.724 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -16.323 7.271 4.731 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -15.392 7.529 6.814 1.00 0.00 N ATOM 0 H ARG A 94 -14.754 -0.651 4.948 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.031 1.286 6.108 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.581 2.493 5.096 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.788 3.071 6.548 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.647 3.355 5.272 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.432 2.767 3.820 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.488 5.152 3.642 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.119 4.686 4.081 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.503 5.233 6.442 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.472 6.713 3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -16.746 8.196 4.811 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.823 7.171 7.581 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -15.820 8.452 6.883 1.00 0.00 H new ATOM 1508 N PRO A 95 -15.308 0.735 8.280 1.00 0.00 N ATOM 1509 CA PRO A 95 -15.856 0.220 9.523 1.00 0.00 C ATOM 1510 C PRO A 95 -17.312 0.675 9.709 1.00 0.00 C ATOM 1511 O PRO A 95 -17.652 1.798 9.340 1.00 0.00 O ATOM 1512 CB PRO A 95 -14.925 0.761 10.614 1.00 0.00 C ATOM 1513 CG PRO A 95 -14.265 1.991 9.985 1.00 0.00 C ATOM 1514 CD PRO A 95 -14.152 1.564 8.526 1.00 0.00 C ATOM 0 HA PRO A 95 -15.896 -0.869 9.548 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.481 1.026 11.514 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.182 0.018 10.905 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.873 2.888 10.104 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.291 2.205 10.426 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.140 2.429 7.863 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.228 1.013 8.348 1.00 0.00 H new ATOM 1522 N PRO A 96 -18.170 -0.190 10.273 1.00 0.00 N ATOM 1523 CA PRO A 96 -19.590 0.077 10.464 1.00 0.00 C ATOM 1524 C PRO A 96 -19.845 1.053 11.612 1.00 0.00 C ATOM 1525 O PRO A 96 -20.960 1.546 11.764 1.00 0.00 O ATOM 1526 CB PRO A 96 -20.208 -1.288 10.765 1.00 0.00 C ATOM 1527 CG PRO A 96 -19.074 -2.024 11.475 1.00 0.00 C ATOM 1528 CD PRO A 96 -17.828 -1.516 10.754 1.00 0.00 C ATOM 0 HA PRO A 96 -20.025 0.549 9.583 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -21.092 -1.201 11.397 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -20.516 -1.802 9.855 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -19.047 -1.792 12.540 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -19.178 -3.105 11.387 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -16.972 -1.480 11.428 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -17.556 -2.175 9.929 1.00 0.00 H new ATOM 1536 N ASP A 97 -18.816 1.324 12.417 1.00 0.00 N ATOM 1537 CA ASP A 97 -18.858 2.296 13.502 1.00 0.00 C ATOM 1538 C ASP A 97 -17.435 2.795 13.711 1.00 0.00 C ATOM 1539 O ASP A 97 -16.489 2.133 13.287 1.00 0.00 O ATOM 1540 CB ASP A 97 -19.412 1.630 14.765 1.00 0.00 C ATOM 1541 CG ASP A 97 -19.632 2.633 15.899 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -19.811 3.835 15.597 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -19.621 2.186 17.065 1.00 0.00 O ATOM 0 H ASP A 97 -17.911 0.861 12.328 1.00 0.00 H new ATOM 0 HA ASP A 97 -19.511 3.136 13.266 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -20.356 1.138 14.530 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -18.722 0.854 15.097 1.00 0.00 H new ATOM 1548 N SER A 98 -17.261 3.949 14.355 1.00 0.00 N ATOM 1549 CA SER A 98 -15.949 4.575 14.419 1.00 0.00 C ATOM 1550 C SER A 98 -14.895 3.670 15.056 1.00 0.00 C ATOM 1551 O SER A 98 -13.733 3.702 14.650 1.00 0.00 O ATOM 1552 CB SER A 98 -16.031 5.901 15.179 1.00 0.00 C ATOM 1553 OG SER A 98 -16.924 6.783 14.528 1.00 0.00 O ATOM 0 H SER A 98 -18.003 4.460 14.832 1.00 0.00 H new ATOM 0 HA SER A 98 -15.635 4.759 13.392 1.00 0.00 H new ATOM 0 HB2 SER A 98 -16.365 5.723 16.201 1.00 0.00 H new ATOM 0 HB3 SER A 98 -15.042 6.354 15.242 1.00 0.00 H new ATOM 0 HG SER A 98 -17.456 7.262 15.197 1.00 0.00 H new ATOM 1559 N HIS A 99 -15.278 2.860 16.044 1.00 0.00 N ATOM 1560 CA HIS A 99 -14.346 1.951 16.704 1.00 0.00 C ATOM 1561 C HIS A 99 -15.103 0.883 17.483 1.00 0.00 C ATOM 1562 O HIS A 99 -16.326 0.964 17.624 1.00 0.00 O ATOM 1563 CB HIS A 99 -13.428 2.754 17.629 1.00 0.00 C ATOM 1564 CG HIS A 99 -14.170 3.503 18.704 1.00 0.00 C ATOM 1565 ND1 HIS A 99 -14.797 4.742 18.544 1.00 0.00 N ATOM 1566 CD2 HIS A 99 -14.331 3.082 19.994 1.00 0.00 C ATOM 1567 CE1 HIS A 99 -15.326 5.030 19.744 1.00 0.00 C ATOM 1568 NE2 HIS A 99 -15.060 4.054 20.631 1.00 0.00 N ATOM 0 H HIS A 99 -16.231 2.817 16.404 1.00 0.00 H new ATOM 0 HA HIS A 99 -13.739 1.446 15.953 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -12.713 2.077 18.096 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.854 3.463 17.033 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -13.958 2.165 20.427 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -15.889 5.924 19.967 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -15.350 4.039 21.609 1.00 0.00 H new ATOM 1576 N HIS A 100 -14.379 -0.119 17.991 1.00 0.00 N ATOM 1577 CA HIS A 100 -14.981 -1.259 18.667 1.00 0.00 C ATOM 1578 C HIS A 100 -14.122 -1.731 19.846 1.00 0.00 C ATOM 1579 O HIS A 100 -14.400 -2.782 20.422 1.00 0.00 O ATOM 1580 CB HIS A 100 -15.169 -2.396 17.657 1.00 0.00 C ATOM 1581 CG HIS A 100 -15.961 -1.991 16.442 1.00 0.00 C ATOM 1582 ND1 HIS A 100 -15.437 -1.360 15.310 1.00 0.00 N ATOM 1583 CD2 HIS A 100 -17.304 -2.171 16.276 1.00 0.00 C ATOM 1584 CE1 HIS A 100 -16.481 -1.164 14.492 1.00 0.00 C ATOM 1585 NE2 HIS A 100 -17.612 -1.650 15.041 1.00 0.00 N ATOM 0 H HIS A 100 -13.361 -0.157 17.942 1.00 0.00 H new ATOM 0 HA HIS A 100 -15.948 -0.956 19.070 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -14.190 -2.756 17.340 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -15.672 -3.229 18.148 1.00 0.00 H new ATOM 0 HD1 HIS A 100 -14.464 -1.103 15.142 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -17.988 -2.630 16.975 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -16.424 -0.683 13.527 1.00 0.00 H new ATOM 1593 N SER A 101 -13.085 -0.967 20.199 1.00 0.00 N ATOM 1594 CA SER A 101 -12.171 -1.302 21.288 1.00 0.00 C ATOM 1595 C SER A 101 -11.590 -0.037 21.915 1.00 0.00 C ATOM 1596 O SER A 101 -11.408 -0.040 23.153 1.00 0.00 O ATOM 1597 CB SER A 101 -11.049 -2.196 20.757 1.00 0.00 C ATOM 1598 OG SER A 101 -10.385 -1.563 19.681 1.00 0.00 O ATOM 1599 OXT SER A 101 -11.333 0.923 21.154 1.00 0.00 O ATOM 0 H SER A 101 -12.856 -0.090 19.731 1.00 0.00 H new ATOM 0 HA SER A 101 -12.724 -1.838 22.060 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.339 -2.412 21.555 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.460 -3.151 20.429 1.00 0.00 H new ATOM 0 HG SER A 101 -9.668 -2.144 19.351 1.00 0.00 H new TER 1605 SER A 101 ATOM 1606 O5' U B 102 -4.618 -6.674 14.504 1.00 0.00 O ATOM 1607 C5' U B 102 -4.086 -6.153 13.303 1.00 0.00 C ATOM 1608 C4' U B 102 -3.905 -4.644 13.423 1.00 0.00 C ATOM 1609 O4' U B 102 -2.746 -4.360 14.174 1.00 0.00 O ATOM 1610 C3' U B 102 -3.666 -4.002 12.060 1.00 0.00 C ATOM 1611 O3' U B 102 -4.869 -3.762 11.357 1.00 0.00 O ATOM 1612 C2' U B 102 -2.961 -2.710 12.468 1.00 0.00 C ATOM 1613 O2' U B 102 -3.909 -1.691 12.720 1.00 0.00 O ATOM 1614 C1' U B 102 -2.299 -3.071 13.801 1.00 0.00 C ATOM 1615 N1 U B 102 -0.818 -3.040 13.728 1.00 0.00 N ATOM 1616 C2 U B 102 -0.142 -3.901 12.866 1.00 0.00 C ATOM 1617 O2 U B 102 -0.716 -4.722 12.154 1.00 0.00 O ATOM 1618 N3 U B 102 1.239 -3.788 12.846 1.00 0.00 N ATOM 1619 C4 U B 102 1.994 -2.912 13.610 1.00 0.00 C ATOM 1620 O4 U B 102 3.219 -2.899 13.512 1.00 0.00 O ATOM 1621 C5 U B 102 1.212 -2.069 14.483 1.00 0.00 C ATOM 1622 C6 U B 102 -0.138 -2.158 14.514 1.00 0.00 C ATOM 0 H5' U B 102 -4.752 -6.382 12.471 1.00 0.00 H new ATOM 0 H5'' U B 102 -3.129 -6.626 13.085 1.00 0.00 H new ATOM 0 H4' U B 102 -4.812 -4.256 13.887 1.00 0.00 H new ATOM 0 H3' U B 102 -3.097 -4.622 11.368 1.00 0.00 H new ATOM 0 H2' U B 102 -2.274 -2.355 11.700 1.00 0.00 H new ATOM 0 HO2' U B 102 -3.611 -0.856 12.302 1.00 0.00 H new ATOM 0 HO5' U B 102 -4.732 -7.643 14.418 1.00 0.00 H new ATOM 0 H1' U B 102 -2.583 -2.328 14.546 1.00 0.00 H new ATOM 0 H3 U B 102 1.746 -4.405 12.212 1.00 0.00 H new ATOM 0 H5 U B 102 1.712 -1.356 15.121 1.00 0.00 H new ATOM 0 H6 U B 102 -0.692 -1.513 15.180 1.00 0.00 H new ATOM 1634 P C B 103 -4.854 -3.469 9.779 1.00 0.00 P ATOM 1635 OP1 C B 103 -4.767 -4.767 9.077 1.00 0.00 O ATOM 1636 OP2 C B 103 -3.850 -2.418 9.492 1.00 0.00 O ATOM 1637 O5' C B 103 -6.311 -2.849 9.490 1.00 0.00 O ATOM 1638 C5' C B 103 -6.543 -1.461 9.591 1.00 0.00 C ATOM 1639 C4' C B 103 -8.004 -1.124 9.274 1.00 0.00 C ATOM 1640 O4' C B 103 -8.323 -1.503 7.942 1.00 0.00 O ATOM 1641 C3' C B 103 -8.955 -1.845 10.231 1.00 0.00 C ATOM 1642 O3' C B 103 -9.972 -0.980 10.699 1.00 0.00 O ATOM 1643 C2' C B 103 -9.520 -2.978 9.386 1.00 0.00 C ATOM 1644 O2' C B 103 -10.894 -3.192 9.643 1.00 0.00 O ATOM 1645 C1' C B 103 -9.304 -2.529 7.939 1.00 0.00 C ATOM 1646 N1 C B 103 -8.891 -3.651 7.061 1.00 0.00 N ATOM 1647 C2 C B 103 -9.433 -3.712 5.782 1.00 0.00 C ATOM 1648 O2 C B 103 -10.208 -2.844 5.383 1.00 0.00 O ATOM 1649 N3 C B 103 -9.095 -4.754 4.977 1.00 0.00 N ATOM 1650 C4 C B 103 -8.262 -5.703 5.409 1.00 0.00 C ATOM 1651 N4 C B 103 -7.969 -6.721 4.603 1.00 0.00 N ATOM 1652 C5 C B 103 -7.677 -5.651 6.707 1.00 0.00 C ATOM 1653 C6 C B 103 -8.011 -4.609 7.491 1.00 0.00 C ATOM 0 H5' C B 103 -5.886 -0.928 8.904 1.00 0.00 H new ATOM 0 H5'' C B 103 -6.297 -1.120 10.597 1.00 0.00 H new ATOM 0 H4' C B 103 -8.125 -0.047 9.392 1.00 0.00 H new ATOM 0 H3' C B 103 -8.458 -2.204 11.132 1.00 0.00 H new ATOM 0 H2' C B 103 -9.029 -3.925 9.609 1.00 0.00 H new ATOM 0 HO2' C B 103 -11.234 -2.478 10.222 1.00 0.00 H new ATOM 0 H1' C B 103 -10.246 -2.157 7.535 1.00 0.00 H new ATOM 0 H41 C B 103 -7.334 -7.455 4.918 1.00 0.00 H new ATOM 0 H42 C B 103 -8.379 -6.768 3.670 1.00 0.00 H new ATOM 0 H5 C B 103 -6.994 -6.415 7.048 1.00 0.00 H new ATOM 0 H6 C B 103 -7.577 -4.527 8.477 1.00 0.00 H new ATOM 1665 P C B 104 -9.662 0.137 11.819 1.00 0.00 P ATOM 1666 OP1 C B 104 -8.309 -0.120 12.367 1.00 0.00 O ATOM 1667 OP2 C B 104 -10.821 0.194 12.740 1.00 0.00 O ATOM 1668 O5' C B 104 -9.606 1.523 10.995 1.00 0.00 O ATOM 1669 C5' C B 104 -10.798 2.154 10.577 1.00 0.00 C ATOM 1670 C4' C B 104 -10.515 3.444 9.797 1.00 0.00 C ATOM 1671 O4' C B 104 -9.607 3.179 8.746 1.00 0.00 O ATOM 1672 C3' C B 104 -11.790 3.964 9.131 1.00 0.00 C ATOM 1673 O3' C B 104 -12.574 4.855 9.898 1.00 0.00 O ATOM 1674 C2' C B 104 -11.275 4.653 7.880 1.00 0.00 C ATOM 1675 O2' C B 104 -10.950 6.008 8.120 1.00 0.00 O ATOM 1676 C1' C B 104 -10.005 3.874 7.578 1.00 0.00 C ATOM 1677 N1 C B 104 -10.331 2.908 6.507 1.00 0.00 N ATOM 1678 C2 C B 104 -9.935 3.189 5.203 1.00 0.00 C ATOM 1679 O2 C B 104 -9.264 4.184 4.947 1.00 0.00 O ATOM 1680 N3 C B 104 -10.315 2.335 4.217 1.00 0.00 N ATOM 1681 C4 C B 104 -11.015 1.232 4.495 1.00 0.00 C ATOM 1682 N4 C B 104 -11.364 0.434 3.487 1.00 0.00 N ATOM 1683 C5 C B 104 -11.388 0.902 5.835 1.00 0.00 C ATOM 1684 C6 C B 104 -11.034 1.774 6.800 1.00 0.00 C ATOM 0 H5' C B 104 -11.413 2.383 11.447 1.00 0.00 H new ATOM 0 H5'' C B 104 -11.372 1.470 9.952 1.00 0.00 H new ATOM 0 H4' C B 104 -10.118 4.171 10.505 1.00 0.00 H new ATOM 0 H3' C B 104 -12.478 3.136 8.959 1.00 0.00 H new ATOM 0 H2' C B 104 -12.010 4.661 7.075 1.00 0.00 H new ATOM 0 HO2' C B 104 -9.988 6.089 8.290 1.00 0.00 H new ATOM 0 H1' C B 104 -9.196 4.534 7.266 1.00 0.00 H new ATOM 0 H41 C B 104 -11.899 -0.415 3.670 1.00 0.00 H new ATOM 0 H42 C B 104 -11.096 0.672 2.532 1.00 0.00 H new ATOM 0 H5 C B 104 -11.929 -0.005 6.064 1.00 0.00 H new ATOM 0 H6 C B 104 -11.311 1.572 7.824 1.00 0.00 H new ATOM 1696 P A B 105 -13.871 5.541 9.224 1.00 0.00 P ATOM 1697 OP1 A B 105 -14.388 4.625 8.187 1.00 0.00 O ATOM 1698 OP2 A B 105 -13.516 6.919 8.835 1.00 0.00 O ATOM 1699 O5' A B 105 -14.967 5.606 10.393 1.00 0.00 O ATOM 1700 C5' A B 105 -15.366 6.832 10.975 1.00 0.00 C ATOM 1701 C4' A B 105 -14.399 7.350 12.042 1.00 0.00 C ATOM 1702 O4' A B 105 -13.891 6.274 12.824 1.00 0.00 O ATOM 1703 C3' A B 105 -13.205 8.195 11.575 1.00 0.00 C ATOM 1704 O3' A B 105 -13.270 9.463 12.200 1.00 0.00 O ATOM 1705 C2' A B 105 -12.017 7.431 12.148 1.00 0.00 C ATOM 1706 O2' A B 105 -10.945 8.256 12.554 1.00 0.00 O ATOM 1707 C1' A B 105 -12.670 6.743 13.337 1.00 0.00 C ATOM 1708 N9 A B 105 -11.786 5.720 13.927 1.00 0.00 N ATOM 1709 C8 A B 105 -11.083 4.748 13.283 1.00 0.00 C ATOM 1710 N7 A B 105 -10.345 4.003 14.057 1.00 0.00 N ATOM 1711 C5 A B 105 -10.570 4.538 15.322 1.00 0.00 C ATOM 1712 C6 A B 105 -10.060 4.244 16.601 1.00 0.00 C ATOM 1713 N6 A B 105 -9.192 3.257 16.846 1.00 0.00 N ATOM 1714 N1 A B 105 -10.456 4.992 17.635 1.00 0.00 N ATOM 1715 C2 A B 105 -11.318 5.973 17.418 1.00 0.00 C ATOM 1716 N3 A B 105 -11.889 6.347 16.282 1.00 0.00 N ATOM 1717 C4 A B 105 -11.460 5.578 15.252 1.00 0.00 C ATOM 0 H5' A B 105 -16.353 6.708 11.421 1.00 0.00 H new ATOM 0 H5'' A B 105 -15.463 7.582 10.190 1.00 0.00 H new ATOM 0 H4' A B 105 -15.030 8.033 12.610 1.00 0.00 H new ATOM 0 H3' A B 105 -13.163 8.345 10.496 1.00 0.00 H new ATOM 0 H2' A B 105 -11.546 6.768 11.422 1.00 0.00 H new ATOM 0 HO2' A B 105 -10.650 8.805 11.798 1.00 0.00 H new ATOM 0 H1' A B 105 -12.852 7.399 14.189 1.00 0.00 H new ATOM 0 H8 A B 105 -11.133 4.605 12.214 1.00 0.00 H new ATOM 0 H61 A B 105 -8.859 3.095 17.796 1.00 0.00 H new ATOM 0 H62 A B 105 -8.862 2.666 16.082 1.00 0.00 H new ATOM 0 H2 A B 105 -11.595 6.549 18.289 1.00 0.00 H new ATOM 1729 P G B 106 -14.182 10.638 11.599 1.00 0.00 P ATOM 1730 OP1 G B 106 -14.399 11.641 12.663 1.00 0.00 O ATOM 1731 OP2 G B 106 -15.348 10.032 10.923 1.00 0.00 O ATOM 1732 O5' G B 106 -13.236 11.287 10.471 1.00 0.00 O ATOM 1733 C5' G B 106 -12.202 12.195 10.810 1.00 0.00 C ATOM 1734 C4' G B 106 -11.593 12.823 9.551 1.00 0.00 C ATOM 1735 O4' G B 106 -10.642 11.968 8.934 1.00 0.00 O ATOM 1736 C3' G B 106 -12.673 13.161 8.521 1.00 0.00 C ATOM 1737 O3' G B 106 -13.245 14.454 8.692 1.00 0.00 O ATOM 1738 C2' G B 106 -12.010 12.885 7.172 1.00 0.00 C ATOM 1739 O2' G B 106 -11.467 14.032 6.551 1.00 0.00 O ATOM 1740 C1' G B 106 -10.870 11.931 7.533 1.00 0.00 C ATOM 1741 N9 G B 106 -11.202 10.552 7.130 1.00 0.00 N ATOM 1742 C8 G B 106 -12.179 9.707 7.594 1.00 0.00 C ATOM 1743 N7 G B 106 -12.238 8.572 6.954 1.00 0.00 N ATOM 1744 C5 G B 106 -11.199 8.647 6.028 1.00 0.00 C ATOM 1745 C6 G B 106 -10.757 7.700 5.055 1.00 0.00 C ATOM 1746 O6 G B 106 -11.206 6.582 4.806 1.00 0.00 O ATOM 1747 N1 G B 106 -9.678 8.178 4.325 1.00 0.00 N ATOM 1748 C2 G B 106 -9.087 9.401 4.516 1.00 0.00 C ATOM 1749 N2 G B 106 -8.043 9.692 3.748 1.00 0.00 N ATOM 1750 N3 G B 106 -9.495 10.295 5.423 1.00 0.00 N ATOM 1751 C4 G B 106 -10.556 9.853 6.141 1.00 0.00 C ATOM 0 H5' G B 106 -11.427 11.676 11.374 1.00 0.00 H new ATOM 0 H5'' G B 106 -12.597 12.978 11.457 1.00 0.00 H new ATOM 0 H4' G B 106 -11.094 13.734 9.881 1.00 0.00 H new ATOM 0 H3' G B 106 -13.567 12.547 8.629 1.00 0.00 H new ATOM 0 H2' G B 106 -12.739 12.498 6.460 1.00 0.00 H new ATOM 0 HO2' G B 106 -10.923 14.528 7.198 1.00 0.00 H new ATOM 0 H1' G B 106 -9.972 12.248 7.003 1.00 0.00 H new ATOM 0 H8 G B 106 -12.837 9.958 8.412 1.00 0.00 H new ATOM 0 H1 G B 106 -9.297 7.577 3.594 1.00 0.00 H new ATOM 0 H21 G B 106 -7.568 10.589 3.851 1.00 0.00 H new ATOM 0 H22 G B 106 -7.716 9.018 3.055 1.00 0.00 H new ATOM 1763 P U B 107 -12.394 15.829 8.741 1.00 0.00 P ATOM 1764 OP1 U B 107 -10.954 15.547 8.524 1.00 0.00 O ATOM 1765 OP2 U B 107 -12.817 16.594 9.938 1.00 0.00 O ATOM 1766 O5' U B 107 -12.949 16.589 7.437 1.00 0.00 O ATOM 1767 C5' U B 107 -14.240 17.159 7.440 1.00 0.00 C ATOM 1768 C4' U B 107 -14.671 17.556 6.033 1.00 0.00 C ATOM 1769 O4' U B 107 -13.922 18.669 5.577 1.00 0.00 O ATOM 1770 C3' U B 107 -14.442 16.424 5.041 1.00 0.00 C ATOM 1771 O3' U B 107 -15.459 16.494 4.062 1.00 0.00 O ATOM 1772 C2' U B 107 -13.095 16.794 4.444 1.00 0.00 C ATOM 1773 O2' U B 107 -12.936 16.200 3.172 1.00 0.00 O ATOM 1774 C1' U B 107 -13.215 18.315 4.392 1.00 0.00 C ATOM 1775 N1 U B 107 -11.897 18.997 4.294 1.00 0.00 N ATOM 1776 C2 U B 107 -11.758 20.284 4.808 1.00 0.00 C ATOM 1777 O2 U B 107 -12.691 20.930 5.289 1.00 0.00 O ATOM 1778 N3 U B 107 -10.489 20.840 4.762 1.00 0.00 N ATOM 1779 C4 U B 107 -9.365 20.248 4.217 1.00 0.00 C ATOM 1780 O4 U B 107 -8.277 20.824 4.244 1.00 0.00 O ATOM 1781 C5 U B 107 -9.613 18.948 3.642 1.00 0.00 C ATOM 1782 C6 U B 107 -10.838 18.376 3.696 1.00 0.00 C ATOM 0 H5' U B 107 -14.252 18.036 8.088 1.00 0.00 H new ATOM 0 H5'' U B 107 -14.954 16.447 7.854 1.00 0.00 H new ATOM 0 H4' U B 107 -15.733 17.797 6.088 1.00 0.00 H new ATOM 0 H3' U B 107 -14.458 15.419 5.462 1.00 0.00 H new ATOM 0 H2' U B 107 -12.221 16.453 4.999 1.00 0.00 H new ATOM 0 HO2' U B 107 -13.812 16.110 2.741 1.00 0.00 H new ATOM 0 HO3' U B 107 -16.225 15.953 4.347 1.00 0.00 H new ATOM 0 H1' U B 107 -13.741 18.640 3.494 1.00 0.00 H new ATOM 0 H3 U B 107 -10.374 21.769 5.167 1.00 0.00 H new ATOM 0 H5 U B 107 -8.804 18.421 3.158 1.00 0.00 H new ATOM 0 H6 U B 107 -10.982 17.401 3.254 1.00 0.00 H new TER 1794 U B 107