USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=35 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 44 TYR OH : rot 5:sc= 1.99 USER MOD Set 1.2: B 104 G O2' : rot -10:sc= 1.29 USER MOD Set 1.3: B 105 A O2' : rot -80:sc= 0.895 USER MOD Set 2.1: A 72 MET CE :methyl -136:sc= -1.68 (180deg=-3.81!) USER MOD Set 2.2: A 89 MET CE :methyl -175:sc= -1.89 (180deg=-1.74) USER MOD Set 3.1: A 36 LYS NZ :NH3+ -110:sc= 1.47 (180deg=-0.165) USER MOD Set 3.2: A 37 TYR OH : rot 180:sc= -0.0197 USER MOD Set 3.3: A 75 MET CE :methyl 173:sc= -2.24 (180deg=-2.14) USER MOD Set 4.1: A 26 SER OG : rot 180:sc= 0.493 USER MOD Set 4.2: A 29 THR OG1 : rot 86:sc= 0.543 USER MOD Set 5.1: A 13 MET CE :methyl -108:sc= -1.35 (180deg=-1.61) USER MOD Set 5.2: A 63 HIS : no HE2:sc= -4.32! K(o=-5.7!,f=-2.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -146:sc= 1.41 (180deg=0.378) USER MOD Single : A 2 SER OG : rot 170:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 110:sc= -0.0587 USER MOD Single : A 15 SER OG : rot 180:sc= 0.214 USER MOD Single : A 17 LYS NZ :NH3+ 143:sc= 1.27 (180deg=0.55) USER MOD Single : A 20 ASN : amide:sc= -1.25 X(o=-1.2,f=-1.1) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0537 USER MOD Single : A 23 TYR OH : rot -170:sc= 0.678 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -133:sc= -0.549 USER MOD Single : A 52 LYS NZ :NH3+ 167:sc= 0.527 (180deg=0.463) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -152:sc= 0.41 (180deg=-1.19!) USER MOD Single : A 88 GLN : amide:sc= 0.287 K(o=0.29,f=-3.1!) USER MOD Single : A 92 TYR OH : rot 115:sc= 0.0117 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -0.285 X(o=-0.28,f=-0.28) USER MOD Single : A 100 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.3) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : B 102 U O2' : rot 15:sc= 0.239 USER MOD Single : B 102 U O5' : rot 180:sc= -0.237 USER MOD Single : B 103 G O2' : rot -36:sc= 0.795 USER MOD Single : B 106 G O2' : rot 24:sc= 0.368 USER MOD Single : B 107 U O2' : rot -21:sc= 0.0818 USER MOD Single : B 107 U O3' : rot 180:sc= 0.0987 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.864 13.586 9.655 1.00 0.00 N ATOM 2 CA MET A 1 -14.301 14.407 8.565 1.00 0.00 C ATOM 3 C MET A 1 -13.723 13.526 7.462 1.00 0.00 C ATOM 4 O MET A 1 -13.508 12.332 7.667 1.00 0.00 O ATOM 5 CB MET A 1 -13.244 15.394 9.084 1.00 0.00 C ATOM 6 CG MET A 1 -11.977 14.707 9.599 1.00 0.00 C ATOM 7 SD MET A 1 -12.189 13.707 11.096 1.00 0.00 S ATOM 8 CE MET A 1 -10.481 13.142 11.303 1.00 0.00 C ATOM 0 H1 MET A 1 -15.694 14.066 10.058 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.149 12.659 9.280 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.147 13.454 10.396 1.00 0.00 H new ATOM 0 HA MET A 1 -15.118 14.993 8.144 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.976 16.083 8.283 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.677 15.991 9.886 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.583 14.068 8.808 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.224 15.471 9.796 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.413 12.505 12.185 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.176 12.576 10.423 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.825 14.004 11.426 1.00 0.00 H new ATOM 18 N SER A 2 -13.474 14.124 6.292 1.00 0.00 N ATOM 19 CA SER A 2 -12.955 13.414 5.127 1.00 0.00 C ATOM 20 C SER A 2 -12.057 14.336 4.300 1.00 0.00 C ATOM 21 O SER A 2 -11.961 15.531 4.567 1.00 0.00 O ATOM 22 CB SER A 2 -14.121 12.933 4.258 1.00 0.00 C ATOM 23 OG SER A 2 -14.955 12.055 4.982 1.00 0.00 O ATOM 0 H SER A 2 -13.629 15.119 6.130 1.00 0.00 H new ATOM 0 HA SER A 2 -12.371 12.559 5.469 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.700 13.789 3.912 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.736 12.429 3.372 1.00 0.00 H new ATOM 0 HG SER A 2 -15.774 11.886 4.471 1.00 0.00 H new ATOM 29 N TYR A 3 -11.397 13.772 3.283 1.00 0.00 N ATOM 30 CA TYR A 3 -10.519 14.519 2.391 1.00 0.00 C ATOM 31 C TYR A 3 -11.282 15.619 1.650 1.00 0.00 C ATOM 32 O TYR A 3 -10.728 16.670 1.341 1.00 0.00 O ATOM 33 CB TYR A 3 -9.921 13.538 1.377 1.00 0.00 C ATOM 34 CG TYR A 3 -8.999 12.505 1.985 1.00 0.00 C ATOM 35 CD1 TYR A 3 -9.526 11.299 2.478 1.00 0.00 C ATOM 36 CD2 TYR A 3 -7.618 12.742 2.049 1.00 0.00 C ATOM 37 CE1 TYR A 3 -8.674 10.334 3.041 1.00 0.00 C ATOM 38 CE2 TYR A 3 -6.758 11.779 2.604 1.00 0.00 C ATOM 39 CZ TYR A 3 -7.286 10.572 3.102 1.00 0.00 C ATOM 40 OH TYR A 3 -6.455 9.634 3.640 1.00 0.00 O ATOM 0 H TYR A 3 -11.461 12.779 3.059 1.00 0.00 H new ATOM 0 HA TYR A 3 -9.736 14.997 2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -10.733 13.025 0.861 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -9.371 14.102 0.624 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -10.589 11.114 2.424 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -7.214 13.669 1.670 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -9.082 9.411 3.426 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -5.695 11.964 2.649 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.530 9.957 3.603 1.00 0.00 H new ATOM 50 N GLY A 4 -12.560 15.356 1.373 1.00 0.00 N ATOM 51 CA GLY A 4 -13.449 16.204 0.592 1.00 0.00 C ATOM 52 C GLY A 4 -12.832 16.690 -0.719 1.00 0.00 C ATOM 53 O GLY A 4 -12.699 17.893 -0.941 1.00 0.00 O ATOM 0 H GLY A 4 -13.020 14.508 1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.363 15.653 0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.734 17.068 1.192 1.00 0.00 H new ATOM 57 N ARG A 5 -12.459 15.732 -1.576 1.00 0.00 N ATOM 58 CA ARG A 5 -11.961 15.931 -2.935 1.00 0.00 C ATOM 59 C ARG A 5 -11.026 17.138 -3.050 1.00 0.00 C ATOM 60 O ARG A 5 -11.330 18.093 -3.763 1.00 0.00 O ATOM 61 CB ARG A 5 -13.106 15.949 -3.946 1.00 0.00 C ATOM 62 CG ARG A 5 -14.354 16.640 -3.423 1.00 0.00 C ATOM 63 CD ARG A 5 -15.421 16.531 -4.493 1.00 0.00 C ATOM 64 NE ARG A 5 -15.145 17.426 -5.625 1.00 0.00 N ATOM 65 CZ ARG A 5 -15.517 17.186 -6.884 1.00 0.00 C ATOM 66 NH1 ARG A 5 -16.157 16.068 -7.209 1.00 0.00 N ATOM 67 NH2 ARG A 5 -15.245 18.077 -7.836 1.00 0.00 N ATOM 0 H ARG A 5 -12.500 14.745 -1.322 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.340 15.071 -3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.773 16.452 -4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.354 14.924 -4.222 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -14.691 16.173 -2.498 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.146 17.685 -3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.478 15.502 -4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -16.393 16.775 -4.064 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.635 18.289 -5.436 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -16.372 15.376 -6.491 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -16.434 15.902 -8.177 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -14.754 18.940 -7.602 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -15.528 17.897 -8.799 1.00 0.00 H new ATOM 81 N PRO A 6 -9.888 17.100 -2.348 1.00 0.00 N ATOM 82 CA PRO A 6 -8.921 18.182 -2.322 1.00 0.00 C ATOM 83 C PRO A 6 -8.063 18.136 -3.589 1.00 0.00 C ATOM 84 O PRO A 6 -7.927 17.075 -4.193 1.00 0.00 O ATOM 85 CB PRO A 6 -8.068 17.889 -1.090 1.00 0.00 C ATOM 86 CG PRO A 6 -8.055 16.362 -1.031 1.00 0.00 C ATOM 87 CD PRO A 6 -9.447 15.978 -1.540 1.00 0.00 C ATOM 0 HA PRO A 6 -9.383 19.169 -2.283 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.062 18.297 -1.190 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.500 18.323 -0.188 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.268 15.942 -1.657 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.883 16.000 -0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.410 15.061 -2.128 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.132 15.798 -0.711 1.00 0.00 H new ATOM 95 N PRO A 7 -7.480 19.273 -4.001 1.00 0.00 N ATOM 96 CA PRO A 7 -6.566 19.341 -5.131 1.00 0.00 C ATOM 97 C PRO A 7 -5.227 18.725 -4.733 1.00 0.00 C ATOM 98 O PRO A 7 -4.531 19.265 -3.874 1.00 0.00 O ATOM 99 CB PRO A 7 -6.440 20.831 -5.448 1.00 0.00 C ATOM 100 CG PRO A 7 -6.664 21.501 -4.093 1.00 0.00 C ATOM 101 CD PRO A 7 -7.665 20.576 -3.395 1.00 0.00 C ATOM 0 HA PRO A 7 -6.914 18.789 -6.004 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.460 21.073 -5.859 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.181 21.150 -6.181 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.735 21.585 -3.529 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.061 22.510 -4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.481 20.539 -2.321 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.687 20.930 -3.531 1.00 0.00 H new ATOM 109 N PRO A 8 -4.863 17.599 -5.352 1.00 0.00 N ATOM 110 CA PRO A 8 -3.650 16.865 -5.046 1.00 0.00 C ATOM 111 C PRO A 8 -2.438 17.433 -5.783 1.00 0.00 C ATOM 112 O PRO A 8 -2.516 18.481 -6.425 1.00 0.00 O ATOM 113 CB PRO A 8 -3.956 15.454 -5.543 1.00 0.00 C ATOM 114 CG PRO A 8 -4.770 15.721 -6.802 1.00 0.00 C ATOM 115 CD PRO A 8 -5.613 16.929 -6.403 1.00 0.00 C ATOM 0 HA PRO A 8 -3.397 16.913 -3.987 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.047 14.893 -5.758 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.520 14.878 -4.809 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.132 15.937 -7.659 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.389 14.866 -7.073 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.775 17.592 -7.253 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.596 16.621 -6.048 1.00 0.00 H new ATOM 123 N ASP A 9 -1.316 16.718 -5.680 1.00 0.00 N ATOM 124 CA ASP A 9 -0.061 17.028 -6.352 1.00 0.00 C ATOM 125 C ASP A 9 0.481 15.746 -6.985 1.00 0.00 C ATOM 126 O ASP A 9 1.682 15.609 -7.226 1.00 0.00 O ATOM 127 CB ASP A 9 0.926 17.627 -5.348 1.00 0.00 C ATOM 128 CG ASP A 9 0.416 18.945 -4.769 1.00 0.00 C ATOM 129 OD1 ASP A 9 0.571 19.979 -5.458 1.00 0.00 O ATOM 130 OD2 ASP A 9 -0.124 18.908 -3.640 1.00 0.00 O ATOM 0 H ASP A 9 -1.259 15.878 -5.105 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.216 17.766 -7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.098 16.917 -4.539 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.886 17.792 -5.836 1.00 0.00 H new ATOM 135 N VAL A 10 -0.431 14.798 -7.251 1.00 0.00 N ATOM 136 CA VAL A 10 -0.145 13.474 -7.790 1.00 0.00 C ATOM 137 C VAL A 10 0.418 13.520 -9.206 1.00 0.00 C ATOM 138 O VAL A 10 0.745 12.481 -9.779 1.00 0.00 O ATOM 139 CB VAL A 10 -1.422 12.625 -7.749 1.00 0.00 C ATOM 140 CG1 VAL A 10 -1.824 12.376 -6.296 1.00 0.00 C ATOM 141 CG2 VAL A 10 -2.578 13.326 -8.470 1.00 0.00 C ATOM 0 H VAL A 10 -1.427 14.947 -7.087 1.00 0.00 H new ATOM 0 HA VAL A 10 0.627 13.023 -7.167 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.216 11.681 -8.254 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.731 11.773 -6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.021 11.848 -5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.007 13.330 -5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.469 12.700 -8.424 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.781 14.282 -7.988 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.307 13.496 -9.512 1.00 0.00 H new ATOM 151 N GLU A 11 0.532 14.719 -9.778 1.00 0.00 N ATOM 152 CA GLU A 11 1.060 14.937 -11.119 1.00 0.00 C ATOM 153 C GLU A 11 2.579 14.730 -11.185 1.00 0.00 C ATOM 154 O GLU A 11 3.194 15.047 -12.204 1.00 0.00 O ATOM 155 CB GLU A 11 0.691 16.357 -11.568 1.00 0.00 C ATOM 156 CG GLU A 11 1.256 17.411 -10.611 1.00 0.00 C ATOM 157 CD GLU A 11 0.906 18.817 -11.091 1.00 0.00 C ATOM 158 OE1 GLU A 11 -0.207 19.277 -10.753 1.00 0.00 O ATOM 159 OE2 GLU A 11 1.748 19.421 -11.793 1.00 0.00 O ATOM 0 H GLU A 11 0.253 15.581 -9.310 1.00 0.00 H new ATOM 0 HA GLU A 11 0.616 14.201 -11.790 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.074 16.533 -12.573 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.394 16.454 -11.619 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.855 17.253 -9.610 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.338 17.304 -10.542 1.00 0.00 H new ATOM 166 N GLY A 12 3.194 14.205 -10.118 1.00 0.00 N ATOM 167 CA GLY A 12 4.642 14.062 -10.057 1.00 0.00 C ATOM 168 C GLY A 12 5.091 13.098 -8.964 1.00 0.00 C ATOM 169 O GLY A 12 6.086 13.364 -8.288 1.00 0.00 O ATOM 0 H GLY A 12 2.704 13.874 -9.287 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.009 13.709 -11.021 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.093 15.039 -9.882 1.00 0.00 H new ATOM 173 N MET A 13 4.375 11.983 -8.779 1.00 0.00 N ATOM 174 CA MET A 13 4.720 11.001 -7.752 1.00 0.00 C ATOM 175 C MET A 13 4.653 9.568 -8.275 1.00 0.00 C ATOM 176 O MET A 13 4.253 9.327 -9.411 1.00 0.00 O ATOM 177 CB MET A 13 3.799 11.179 -6.541 1.00 0.00 C ATOM 178 CG MET A 13 2.366 10.758 -6.875 1.00 0.00 C ATOM 179 SD MET A 13 1.327 10.345 -5.441 1.00 0.00 S ATOM 180 CE MET A 13 1.402 11.891 -4.504 1.00 0.00 C ATOM 0 H MET A 13 3.552 11.740 -9.330 1.00 0.00 H new ATOM 0 HA MET A 13 5.753 11.178 -7.454 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.171 10.585 -5.706 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.810 12.221 -6.221 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.887 11.565 -7.430 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.403 9.893 -7.538 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.018 11.749 -3.616 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.838 12.673 -5.126 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.396 12.184 -4.205 1.00 0.00 H new ATOM 190 N THR A 14 5.052 8.608 -7.430 1.00 0.00 N ATOM 191 CA THR A 14 5.070 7.190 -7.782 1.00 0.00 C ATOM 192 C THR A 14 3.662 6.598 -7.892 1.00 0.00 C ATOM 193 O THR A 14 3.480 5.592 -8.579 1.00 0.00 O ATOM 194 CB THR A 14 5.913 6.439 -6.747 1.00 0.00 C ATOM 195 OG1 THR A 14 7.270 6.728 -7.000 1.00 0.00 O ATOM 196 CG2 THR A 14 5.704 4.927 -6.814 1.00 0.00 C ATOM 0 H THR A 14 5.372 8.798 -6.480 1.00 0.00 H new ATOM 0 HA THR A 14 5.516 7.081 -8.770 1.00 0.00 H new ATOM 0 HB THR A 14 5.609 6.765 -5.752 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.623 7.296 -6.283 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.324 4.440 -6.061 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.655 4.696 -6.626 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.984 4.565 -7.803 1.00 0.00 H new ATOM 203 N SER A 15 2.670 7.206 -7.235 1.00 0.00 N ATOM 204 CA SER A 15 1.284 6.765 -7.271 1.00 0.00 C ATOM 205 C SER A 15 1.128 5.251 -7.138 1.00 0.00 C ATOM 206 O SER A 15 0.547 4.608 -8.009 1.00 0.00 O ATOM 207 CB SER A 15 0.598 7.278 -8.541 1.00 0.00 C ATOM 208 OG SER A 15 0.518 8.689 -8.524 1.00 0.00 O ATOM 0 H SER A 15 2.816 8.032 -6.655 1.00 0.00 H new ATOM 0 HA SER A 15 0.794 7.195 -6.398 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.153 6.950 -9.420 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.402 6.852 -8.619 1.00 0.00 H new ATOM 0 HG SER A 15 0.079 9.002 -9.342 1.00 0.00 H new ATOM 214 N LEU A 16 1.646 4.658 -6.057 1.00 0.00 N ATOM 215 CA LEU A 16 1.353 3.252 -5.774 1.00 0.00 C ATOM 216 C LEU A 16 -0.143 3.140 -5.484 1.00 0.00 C ATOM 217 O LEU A 16 -0.791 4.158 -5.266 1.00 0.00 O ATOM 218 CB LEU A 16 2.120 2.787 -4.539 1.00 0.00 C ATOM 219 CG LEU A 16 2.102 1.266 -4.327 1.00 0.00 C ATOM 220 CD1 LEU A 16 3.004 0.553 -5.328 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.568 0.946 -2.913 1.00 0.00 C ATOM 0 H LEU A 16 2.255 5.117 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 16 1.645 2.637 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.155 3.120 -4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.698 3.271 -3.658 1.00 0.00 H new ATOM 0 HG LEU A 16 1.081 0.915 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.968 -0.522 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.662 0.764 -6.341 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.029 0.906 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.556 -0.133 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.582 1.321 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.901 1.421 -2.194 1.00 0.00 H new ATOM 233 N LYS A 17 -0.686 1.920 -5.474 1.00 0.00 N ATOM 234 CA LYS A 17 -2.042 1.682 -5.006 1.00 0.00 C ATOM 235 C LYS A 17 -2.135 0.419 -4.153 1.00 0.00 C ATOM 236 O LYS A 17 -1.321 -0.493 -4.283 1.00 0.00 O ATOM 237 CB LYS A 17 -3.024 1.634 -6.181 1.00 0.00 C ATOM 238 CG LYS A 17 -2.862 0.363 -7.016 1.00 0.00 C ATOM 239 CD LYS A 17 -4.007 0.246 -8.017 1.00 0.00 C ATOM 240 CE LYS A 17 -3.951 -1.089 -8.758 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.159 -2.220 -7.831 1.00 0.00 N ATOM 0 H LYS A 17 -0.199 1.081 -5.788 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.320 2.520 -4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.045 1.691 -5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.871 2.506 -6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.908 0.384 -7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.847 -0.511 -6.364 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.960 0.338 -7.497 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.954 1.066 -8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.713 -1.108 -9.537 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.986 -1.193 -9.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.716 -2.959 -8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.238 -2.610 -7.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.670 -1.888 -6.988 1.00 0.00 H new ATOM 255 N VAL A 18 -3.140 0.378 -3.276 1.00 0.00 N ATOM 256 CA VAL A 18 -3.436 -0.800 -2.460 1.00 0.00 C ATOM 257 C VAL A 18 -4.928 -1.102 -2.575 1.00 0.00 C ATOM 258 O VAL A 18 -5.729 -0.173 -2.639 1.00 0.00 O ATOM 259 CB VAL A 18 -3.116 -0.522 -0.986 1.00 0.00 C ATOM 260 CG1 VAL A 18 -3.547 -1.705 -0.122 1.00 0.00 C ATOM 261 CG2 VAL A 18 -1.630 -0.257 -0.771 1.00 0.00 C ATOM 0 H VAL A 18 -3.772 1.162 -3.112 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.834 -1.639 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.669 0.372 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.315 -1.496 0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.620 -1.863 -0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.014 -2.601 -0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.444 -0.064 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.056 -1.127 -1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.327 0.611 -1.357 1.00 0.00 H new ATOM 271 N ASP A 19 -5.283 -2.396 -2.600 1.00 0.00 N ATOM 272 CA ASP A 19 -6.662 -2.860 -2.701 1.00 0.00 C ATOM 273 C ASP A 19 -6.838 -4.195 -1.971 1.00 0.00 C ATOM 274 O ASP A 19 -5.899 -4.684 -1.337 1.00 0.00 O ATOM 275 CB ASP A 19 -7.014 -3.051 -4.180 1.00 0.00 C ATOM 276 CG ASP A 19 -6.854 -1.765 -4.979 1.00 0.00 C ATOM 277 OD1 ASP A 19 -7.712 -0.873 -4.806 1.00 0.00 O ATOM 278 OD2 ASP A 19 -5.873 -1.689 -5.754 1.00 0.00 O ATOM 0 H ASP A 19 -4.604 -3.156 -2.549 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.318 -2.120 -2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.375 -3.824 -4.607 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.042 -3.404 -4.265 1.00 0.00 H new ATOM 283 N ASN A 20 -8.044 -4.780 -2.067 1.00 0.00 N ATOM 284 CA ASN A 20 -8.348 -6.145 -1.628 1.00 0.00 C ATOM 285 C ASN A 20 -8.667 -6.254 -0.132 1.00 0.00 C ATOM 286 O ASN A 20 -8.285 -7.228 0.513 1.00 0.00 O ATOM 287 CB ASN A 20 -7.218 -7.078 -2.061 1.00 0.00 C ATOM 288 CG ASN A 20 -7.649 -8.528 -2.203 1.00 0.00 C ATOM 289 OD1 ASN A 20 -8.740 -8.825 -2.678 1.00 0.00 O ATOM 290 ND2 ASN A 20 -6.777 -9.438 -1.786 1.00 0.00 N ATOM 0 H ASN A 20 -8.853 -4.301 -2.463 1.00 0.00 H new ATOM 0 HA ASN A 20 -9.270 -6.457 -2.118 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.817 -6.732 -3.013 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.409 -7.018 -1.333 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.003 -10.430 -1.854 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.881 -9.145 -1.397 1.00 0.00 H new ATOM 297 N LEU A 21 -9.363 -5.255 0.412 1.00 0.00 N ATOM 298 CA LEU A 21 -9.791 -5.228 1.802 1.00 0.00 C ATOM 299 C LEU A 21 -10.696 -6.420 2.063 1.00 0.00 C ATOM 300 O LEU A 21 -11.276 -6.995 1.146 1.00 0.00 O ATOM 301 CB LEU A 21 -10.558 -3.928 2.070 1.00 0.00 C ATOM 302 CG LEU A 21 -9.712 -2.646 2.124 1.00 0.00 C ATOM 303 CD1 LEU A 21 -9.271 -2.403 3.558 1.00 0.00 C ATOM 304 CD2 LEU A 21 -8.461 -2.679 1.239 1.00 0.00 C ATOM 0 H LEU A 21 -9.648 -4.429 -0.115 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.924 -5.276 2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.314 -3.809 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.088 -4.030 3.017 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.350 -1.848 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.670 -1.495 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.149 -2.291 4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.678 -3.249 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.922 -1.737 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.816 -3.500 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.755 -2.824 0.199 1.00 0.00 H new ATOM 316 N THR A 22 -10.817 -6.790 3.333 1.00 0.00 N ATOM 317 CA THR A 22 -11.604 -7.920 3.765 1.00 0.00 C ATOM 318 C THR A 22 -12.720 -7.452 4.700 1.00 0.00 C ATOM 319 O THR A 22 -12.745 -6.288 5.100 1.00 0.00 O ATOM 320 CB THR A 22 -10.652 -8.896 4.466 1.00 0.00 C ATOM 321 OG1 THR A 22 -9.472 -9.047 3.717 1.00 0.00 O ATOM 322 CG2 THR A 22 -11.272 -10.274 4.629 1.00 0.00 C ATOM 0 H THR A 22 -10.359 -6.298 4.100 1.00 0.00 H new ATOM 0 HA THR A 22 -12.083 -8.416 2.921 1.00 0.00 H new ATOM 0 HB THR A 22 -10.441 -8.476 5.449 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.871 -9.671 4.175 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.564 -10.934 5.130 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.181 -10.196 5.226 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.516 -10.681 3.648 1.00 0.00 H new ATOM 329 N TYR A 23 -13.645 -8.352 5.052 1.00 0.00 N ATOM 330 CA TYR A 23 -14.758 -8.092 5.959 1.00 0.00 C ATOM 331 C TYR A 23 -14.302 -7.744 7.382 1.00 0.00 C ATOM 332 O TYR A 23 -15.130 -7.642 8.288 1.00 0.00 O ATOM 333 CB TYR A 23 -15.664 -9.328 5.976 1.00 0.00 C ATOM 334 CG TYR A 23 -14.962 -10.584 6.453 1.00 0.00 C ATOM 335 CD1 TYR A 23 -14.941 -10.906 7.820 1.00 0.00 C ATOM 336 CD2 TYR A 23 -14.325 -11.419 5.524 1.00 0.00 C ATOM 337 CE1 TYR A 23 -14.280 -12.059 8.259 1.00 0.00 C ATOM 338 CE2 TYR A 23 -13.664 -12.580 5.957 1.00 0.00 C ATOM 339 CZ TYR A 23 -13.637 -12.899 7.330 1.00 0.00 C ATOM 340 OH TYR A 23 -12.988 -14.018 7.760 1.00 0.00 O ATOM 0 H TYR A 23 -13.635 -9.309 4.700 1.00 0.00 H new ATOM 0 HA TYR A 23 -15.298 -7.219 5.594 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -16.520 -9.132 6.621 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -16.053 -9.498 4.972 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -15.435 -10.263 8.533 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -14.343 -11.169 4.474 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -14.263 -12.304 9.311 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -13.178 -13.226 5.241 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.472 -14.401 7.020 1.00 0.00 H new ATOM 350 N ARG A 24 -12.990 -7.565 7.582 1.00 0.00 N ATOM 351 CA ARG A 24 -12.368 -7.306 8.875 1.00 0.00 C ATOM 352 C ARG A 24 -11.396 -6.129 8.773 1.00 0.00 C ATOM 353 O ARG A 24 -10.540 -5.957 9.640 1.00 0.00 O ATOM 354 CB ARG A 24 -11.657 -8.582 9.332 1.00 0.00 C ATOM 355 CG ARG A 24 -10.609 -8.994 8.292 1.00 0.00 C ATOM 356 CD ARG A 24 -10.003 -10.348 8.631 1.00 0.00 C ATOM 357 NE ARG A 24 -9.235 -10.299 9.883 1.00 0.00 N ATOM 358 CZ ARG A 24 -7.935 -10.010 9.963 1.00 0.00 C ATOM 359 NH1 ARG A 24 -7.217 -9.755 8.868 1.00 0.00 N ATOM 360 NH2 ARG A 24 -7.334 -9.974 11.145 1.00 0.00 N ATOM 0 H ARG A 24 -12.314 -7.599 6.818 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.125 -7.034 9.611 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.179 -8.417 10.298 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.382 -9.384 9.468 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.069 -9.035 7.305 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.822 -8.241 8.246 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.796 -11.090 8.719 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.353 -10.670 7.817 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.731 -10.500 10.752 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.661 -9.779 7.950 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.224 -9.536 8.949 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.866 -10.167 11.994 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.340 -9.753 11.205 1.00 0.00 H new ATOM 374 N THR A 25 -11.528 -5.324 7.716 1.00 0.00 N ATOM 375 CA THR A 25 -10.632 -4.206 7.453 1.00 0.00 C ATOM 376 C THR A 25 -11.427 -2.937 7.142 1.00 0.00 C ATOM 377 O THR A 25 -12.633 -3.002 6.913 1.00 0.00 O ATOM 378 CB THR A 25 -9.686 -4.566 6.298 1.00 0.00 C ATOM 379 OG1 THR A 25 -9.408 -5.950 6.285 1.00 0.00 O ATOM 380 CG2 THR A 25 -8.357 -3.824 6.452 1.00 0.00 C ATOM 0 H THR A 25 -12.264 -5.434 7.018 1.00 0.00 H new ATOM 0 HA THR A 25 -10.036 -4.008 8.344 1.00 0.00 H new ATOM 0 HB THR A 25 -10.181 -4.279 5.370 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.805 -6.156 5.540 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.695 -4.088 5.627 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.537 -2.749 6.443 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.890 -4.106 7.396 1.00 0.00 H new ATOM 387 N SER A 26 -10.755 -1.782 7.136 1.00 0.00 N ATOM 388 CA SER A 26 -11.374 -0.476 6.902 1.00 0.00 C ATOM 389 C SER A 26 -10.322 0.485 6.350 1.00 0.00 C ATOM 390 O SER A 26 -9.129 0.206 6.450 1.00 0.00 O ATOM 391 CB SER A 26 -11.918 0.041 8.236 1.00 0.00 C ATOM 392 OG SER A 26 -10.852 0.307 9.125 1.00 0.00 O ATOM 0 H SER A 26 -9.749 -1.728 7.296 1.00 0.00 H new ATOM 0 HA SER A 26 -12.187 -0.556 6.181 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.501 0.948 8.073 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.591 -0.696 8.673 1.00 0.00 H new ATOM 0 HG SER A 26 -11.210 0.639 9.975 1.00 0.00 H new ATOM 398 N PRO A 27 -10.727 1.624 5.765 1.00 0.00 N ATOM 399 CA PRO A 27 -9.788 2.572 5.190 1.00 0.00 C ATOM 400 C PRO A 27 -8.943 3.254 6.266 1.00 0.00 C ATOM 401 O PRO A 27 -7.799 3.619 6.004 1.00 0.00 O ATOM 402 CB PRO A 27 -10.639 3.585 4.426 1.00 0.00 C ATOM 403 CG PRO A 27 -11.997 3.522 5.120 1.00 0.00 C ATOM 404 CD PRO A 27 -12.099 2.073 5.593 1.00 0.00 C ATOM 0 HA PRO A 27 -9.076 2.072 4.534 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.210 4.586 4.477 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.717 3.325 3.370 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.052 4.220 5.955 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.807 3.778 4.437 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.655 2.003 6.528 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.625 1.458 4.863 1.00 0.00 H new ATOM 412 N ASP A 28 -9.490 3.427 7.473 1.00 0.00 N ATOM 413 CA ASP A 28 -8.729 4.035 8.557 1.00 0.00 C ATOM 414 C ASP A 28 -7.624 3.090 9.006 1.00 0.00 C ATOM 415 O ASP A 28 -6.547 3.536 9.400 1.00 0.00 O ATOM 416 CB ASP A 28 -9.648 4.338 9.734 1.00 0.00 C ATOM 417 CG ASP A 28 -8.921 5.129 10.817 1.00 0.00 C ATOM 418 OD1 ASP A 28 -8.594 6.307 10.553 1.00 0.00 O ATOM 419 OD2 ASP A 28 -8.692 4.550 11.903 1.00 0.00 O ATOM 0 H ASP A 28 -10.443 3.158 7.718 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.287 4.965 8.199 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.513 4.903 9.387 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.025 3.405 10.153 1.00 0.00 H new ATOM 424 N THR A 29 -7.884 1.780 8.952 1.00 0.00 N ATOM 425 CA THR A 29 -6.856 0.811 9.283 1.00 0.00 C ATOM 426 C THR A 29 -5.817 0.810 8.175 1.00 0.00 C ATOM 427 O THR A 29 -4.621 0.810 8.439 1.00 0.00 O ATOM 428 CB THR A 29 -7.466 -0.581 9.449 1.00 0.00 C ATOM 429 OG1 THR A 29 -8.392 -0.571 10.513 1.00 0.00 O ATOM 430 CG2 THR A 29 -6.361 -1.589 9.755 1.00 0.00 C ATOM 0 H THR A 29 -8.784 1.379 8.686 1.00 0.00 H new ATOM 0 HA THR A 29 -6.385 1.082 10.228 1.00 0.00 H new ATOM 0 HB THR A 29 -7.974 -0.862 8.527 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.266 -0.273 10.184 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.796 -2.581 9.873 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.644 -1.603 8.934 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.853 -1.304 10.676 1.00 0.00 H new ATOM 437 N LEU A 30 -6.267 0.814 6.918 1.00 0.00 N ATOM 438 CA LEU A 30 -5.361 0.818 5.782 1.00 0.00 C ATOM 439 C LEU A 30 -4.423 2.023 5.827 1.00 0.00 C ATOM 440 O LEU A 30 -3.362 1.997 5.205 1.00 0.00 O ATOM 441 CB LEU A 30 -6.207 0.796 4.504 1.00 0.00 C ATOM 442 CG LEU A 30 -6.013 -0.457 3.643 1.00 0.00 C ATOM 443 CD1 LEU A 30 -4.649 -0.440 2.973 1.00 0.00 C ATOM 444 CD2 LEU A 30 -6.143 -1.738 4.463 1.00 0.00 C ATOM 0 H LEU A 30 -7.256 0.815 6.668 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.720 -0.063 5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.259 0.876 4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.965 1.675 3.906 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.799 -0.445 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.530 -1.338 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.567 0.441 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.870 -0.411 3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.999 -2.602 3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.388 -1.745 5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.135 -1.783 4.912 1.00 0.00 H new ATOM 456 N ARG A 31 -4.793 3.083 6.555 1.00 0.00 N ATOM 457 CA ARG A 31 -3.943 4.256 6.680 1.00 0.00 C ATOM 458 C ARG A 31 -2.876 4.012 7.737 1.00 0.00 C ATOM 459 O ARG A 31 -1.687 4.118 7.450 1.00 0.00 O ATOM 460 CB ARG A 31 -4.794 5.465 7.082 1.00 0.00 C ATOM 461 CG ARG A 31 -3.935 6.722 7.272 1.00 0.00 C ATOM 462 CD ARG A 31 -3.087 7.063 6.039 1.00 0.00 C ATOM 463 NE ARG A 31 -2.251 8.240 6.282 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.300 9.385 5.599 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.171 9.576 4.613 1.00 0.00 N ATOM 466 NH2 ARG A 31 -1.453 10.360 5.919 1.00 0.00 N ATOM 0 H ARG A 31 -5.675 3.145 7.063 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.461 4.452 5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.548 5.651 6.317 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.327 5.244 8.007 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.584 7.567 7.504 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.278 6.580 8.130 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.456 6.212 5.781 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.739 7.247 5.185 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.571 8.179 7.040 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.826 8.836 4.361 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.184 10.463 4.109 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.782 10.225 6.675 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.475 11.243 5.408 1.00 0.00 H new ATOM 480 N ARG A 32 -3.297 3.688 8.963 1.00 0.00 N ATOM 481 CA ARG A 32 -2.389 3.493 10.086 1.00 0.00 C ATOM 482 C ARG A 32 -1.517 2.249 9.904 1.00 0.00 C ATOM 483 O ARG A 32 -0.585 2.034 10.673 1.00 0.00 O ATOM 484 CB ARG A 32 -3.221 3.457 11.378 1.00 0.00 C ATOM 485 CG ARG A 32 -4.093 2.203 11.521 1.00 0.00 C ATOM 486 CD ARG A 32 -3.372 1.019 12.171 1.00 0.00 C ATOM 487 NE ARG A 32 -3.135 1.249 13.603 1.00 0.00 N ATOM 488 CZ ARG A 32 -1.948 1.510 14.163 1.00 0.00 C ATOM 489 NH1 ARG A 32 -0.842 1.600 13.432 1.00 0.00 N ATOM 490 NH2 ARG A 32 -1.869 1.682 15.481 1.00 0.00 N ATOM 0 H ARG A 32 -4.280 3.554 9.200 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.686 4.324 10.144 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.548 3.519 12.233 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.861 4.339 11.411 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.974 2.450 12.114 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.447 1.904 10.534 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.966 0.115 12.041 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.420 0.851 11.667 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.944 1.206 14.223 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.887 1.469 12.421 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.052 1.800 13.881 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.709 1.614 16.055 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.968 1.881 15.916 1.00 0.00 H new ATOM 504 N VAL A 33 -1.819 1.435 8.890 1.00 0.00 N ATOM 505 CA VAL A 33 -1.077 0.216 8.597 1.00 0.00 C ATOM 506 C VAL A 33 -0.079 0.419 7.459 1.00 0.00 C ATOM 507 O VAL A 33 0.972 -0.218 7.459 1.00 0.00 O ATOM 508 CB VAL A 33 -2.073 -0.883 8.224 1.00 0.00 C ATOM 509 CG1 VAL A 33 -1.371 -2.122 7.675 1.00 0.00 C ATOM 510 CG2 VAL A 33 -2.871 -1.280 9.462 1.00 0.00 C ATOM 0 H VAL A 33 -2.592 1.608 8.247 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.507 -0.066 9.482 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.729 -0.489 7.448 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.114 -2.879 7.422 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.807 -1.855 6.782 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.691 -2.519 8.429 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.582 -2.063 9.201 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.191 -1.649 10.230 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.410 -0.412 9.841 1.00 0.00 H new ATOM 520 N PHE A 34 -0.382 1.297 6.496 1.00 0.00 N ATOM 521 CA PHE A 34 0.535 1.567 5.397 1.00 0.00 C ATOM 522 C PHE A 34 1.319 2.863 5.613 1.00 0.00 C ATOM 523 O PHE A 34 2.281 3.127 4.896 1.00 0.00 O ATOM 524 CB PHE A 34 -0.268 1.595 4.100 1.00 0.00 C ATOM 525 CG PHE A 34 -0.437 0.231 3.476 1.00 0.00 C ATOM 526 CD1 PHE A 34 -1.404 -0.649 3.971 1.00 0.00 C ATOM 527 CD2 PHE A 34 0.378 -0.163 2.401 1.00 0.00 C ATOM 528 CE1 PHE A 34 -1.570 -1.914 3.389 1.00 0.00 C ATOM 529 CE2 PHE A 34 0.221 -1.429 1.824 1.00 0.00 C ATOM 530 CZ PHE A 34 -0.756 -2.305 2.314 1.00 0.00 C ATOM 0 H PHE A 34 -1.252 1.828 6.460 1.00 0.00 H new ATOM 0 HA PHE A 34 1.283 0.776 5.344 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.251 2.021 4.298 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.228 2.255 3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.025 -0.354 4.804 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.128 0.513 2.019 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.324 -2.588 3.768 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.853 -1.730 1.001 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.883 -3.279 1.866 1.00 0.00 H new ATOM 540 N GLU A 35 0.929 3.677 6.594 1.00 0.00 N ATOM 541 CA GLU A 35 1.639 4.906 6.917 1.00 0.00 C ATOM 542 C GLU A 35 2.937 4.619 7.677 1.00 0.00 C ATOM 543 O GLU A 35 3.849 5.442 7.663 1.00 0.00 O ATOM 544 CB GLU A 35 0.704 5.789 7.749 1.00 0.00 C ATOM 545 CG GLU A 35 1.384 7.060 8.252 1.00 0.00 C ATOM 546 CD GLU A 35 0.358 8.051 8.798 1.00 0.00 C ATOM 547 OE1 GLU A 35 -0.131 8.871 7.990 1.00 0.00 O ATOM 548 OE2 GLU A 35 0.072 7.982 10.015 1.00 0.00 O ATOM 0 H GLU A 35 0.115 3.501 7.183 1.00 0.00 H new ATOM 0 HA GLU A 35 1.921 5.418 5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.163 6.060 7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.335 5.218 8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.102 6.808 9.032 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.945 7.522 7.440 1.00 0.00 H new ATOM 555 N LYS A 36 3.032 3.459 8.336 1.00 0.00 N ATOM 556 CA LYS A 36 4.207 3.124 9.134 1.00 0.00 C ATOM 557 C LYS A 36 5.437 2.873 8.266 1.00 0.00 C ATOM 558 O LYS A 36 6.563 3.001 8.740 1.00 0.00 O ATOM 559 CB LYS A 36 3.911 1.911 10.020 1.00 0.00 C ATOM 560 CG LYS A 36 3.718 0.625 9.215 1.00 0.00 C ATOM 561 CD LYS A 36 3.272 -0.497 10.155 1.00 0.00 C ATOM 562 CE LYS A 36 3.105 -1.815 9.398 1.00 0.00 C ATOM 563 NZ LYS A 36 4.398 -2.337 8.911 1.00 0.00 N ATOM 0 H LYS A 36 2.308 2.740 8.330 1.00 0.00 H new ATOM 0 HA LYS A 36 4.434 3.982 9.767 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.730 1.773 10.726 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.013 2.105 10.607 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.973 0.779 8.435 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.648 0.350 8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.006 -0.622 10.951 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.329 -0.225 10.630 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.638 -2.552 10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.432 -1.666 8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.436 -2.258 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.175 -1.786 9.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.495 -3.335 9.185 1.00 0.00 H new ATOM 577 N TYR A 37 5.225 2.517 7.000 1.00 0.00 N ATOM 578 CA TYR A 37 6.311 2.312 6.053 1.00 0.00 C ATOM 579 C TYR A 37 6.955 3.648 5.680 1.00 0.00 C ATOM 580 O TYR A 37 8.154 3.699 5.401 1.00 0.00 O ATOM 581 CB TYR A 37 5.775 1.585 4.813 1.00 0.00 C ATOM 582 CG TYR A 37 5.312 0.170 5.097 1.00 0.00 C ATOM 583 CD1 TYR A 37 4.057 -0.067 5.674 1.00 0.00 C ATOM 584 CD2 TYR A 37 6.154 -0.901 4.781 1.00 0.00 C ATOM 585 CE1 TYR A 37 3.654 -1.380 5.950 1.00 0.00 C ATOM 586 CE2 TYR A 37 5.755 -2.215 5.049 1.00 0.00 C ATOM 587 CZ TYR A 37 4.505 -2.459 5.644 1.00 0.00 C ATOM 588 OH TYR A 37 4.118 -3.733 5.929 1.00 0.00 O ATOM 0 H TYR A 37 4.297 2.364 6.606 1.00 0.00 H new ATOM 0 HA TYR A 37 7.082 1.694 6.512 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.944 2.155 4.398 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.554 1.558 4.052 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.402 0.760 5.905 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.116 -0.713 4.328 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.689 -1.565 6.398 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.406 -3.040 4.799 1.00 0.00 H new ATOM 0 HH TYR A 37 4.821 -4.358 5.653 1.00 0.00 H new ATOM 598 N GLY A 38 6.170 4.729 5.680 1.00 0.00 N ATOM 599 CA GLY A 38 6.686 6.067 5.440 1.00 0.00 C ATOM 600 C GLY A 38 5.568 7.106 5.442 1.00 0.00 C ATOM 601 O GLY A 38 5.410 7.839 6.416 1.00 0.00 O ATOM 0 H GLY A 38 5.164 4.695 5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.419 6.318 6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.205 6.091 4.482 1.00 0.00 H new ATOM 605 N ARG A 39 4.792 7.172 4.353 1.00 0.00 N ATOM 606 CA ARG A 39 3.663 8.090 4.239 1.00 0.00 C ATOM 607 C ARG A 39 2.730 7.654 3.118 1.00 0.00 C ATOM 608 O ARG A 39 3.090 6.824 2.286 1.00 0.00 O ATOM 609 CB ARG A 39 4.176 9.514 3.993 1.00 0.00 C ATOM 610 CG ARG A 39 5.194 9.572 2.854 1.00 0.00 C ATOM 611 CD ARG A 39 5.540 11.028 2.540 1.00 0.00 C ATOM 612 NE ARG A 39 6.254 11.661 3.651 1.00 0.00 N ATOM 613 CZ ARG A 39 7.581 11.639 3.805 1.00 0.00 C ATOM 614 NH1 ARG A 39 8.369 11.033 2.921 1.00 0.00 N ATOM 615 NH2 ARG A 39 8.134 12.230 4.860 1.00 0.00 N ATOM 0 H ARG A 39 4.933 6.588 3.528 1.00 0.00 H new ATOM 0 HA ARG A 39 3.099 8.075 5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.335 10.166 3.760 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.632 9.897 4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.096 9.027 3.132 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.788 9.086 1.967 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.153 11.071 1.640 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.626 11.583 2.330 1.00 0.00 H new ATOM 0 HE ARG A 39 5.701 12.151 4.354 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.962 10.573 2.106 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.380 11.028 3.058 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.545 12.698 5.549 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.147 12.215 4.980 1.00 0.00 H new ATOM 629 N VAL A 40 1.525 8.222 3.097 1.00 0.00 N ATOM 630 CA VAL A 40 0.494 7.881 2.124 1.00 0.00 C ATOM 631 C VAL A 40 -0.166 9.166 1.653 1.00 0.00 C ATOM 632 O VAL A 40 -0.435 10.058 2.459 1.00 0.00 O ATOM 633 CB VAL A 40 -0.533 6.947 2.778 1.00 0.00 C ATOM 634 CG1 VAL A 40 -1.584 6.485 1.769 1.00 0.00 C ATOM 635 CG2 VAL A 40 0.139 5.699 3.349 1.00 0.00 C ATOM 0 H VAL A 40 1.236 8.939 3.763 1.00 0.00 H new ATOM 0 HA VAL A 40 0.928 7.366 1.267 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.005 7.519 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.297 5.825 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.109 7.352 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.096 5.948 0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.614 5.057 3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.640 5.157 2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.871 5.992 4.102 1.00 0.00 H new ATOM 645 N GLY A 41 -0.427 9.270 0.346 1.00 0.00 N ATOM 646 CA GLY A 41 -1.039 10.455 -0.229 1.00 0.00 C ATOM 647 C GLY A 41 -2.502 10.519 0.174 1.00 0.00 C ATOM 648 O GLY A 41 -2.981 11.580 0.567 1.00 0.00 O ATOM 0 H GLY A 41 -0.219 8.537 -0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.517 11.349 0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.951 10.431 -1.315 1.00 0.00 H new ATOM 652 N ASP A 42 -3.204 9.386 0.079 1.00 0.00 N ATOM 653 CA ASP A 42 -4.578 9.286 0.551 1.00 0.00 C ATOM 654 C ASP A 42 -5.036 7.828 0.542 1.00 0.00 C ATOM 655 O ASP A 42 -4.345 6.948 0.033 1.00 0.00 O ATOM 656 CB ASP A 42 -5.507 10.156 -0.299 1.00 0.00 C ATOM 657 CG ASP A 42 -5.502 9.776 -1.775 1.00 0.00 C ATOM 658 OD1 ASP A 42 -5.927 8.643 -2.091 1.00 0.00 O ATOM 659 OD2 ASP A 42 -5.077 10.627 -2.589 1.00 0.00 O ATOM 0 H ASP A 42 -2.836 8.524 -0.323 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.621 9.653 1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.523 10.075 0.087 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.210 11.200 -0.198 1.00 0.00 H new ATOM 664 N VAL A 43 -6.217 7.588 1.116 1.00 0.00 N ATOM 665 CA VAL A 43 -6.829 6.268 1.199 1.00 0.00 C ATOM 666 C VAL A 43 -8.327 6.411 1.430 1.00 0.00 C ATOM 667 O VAL A 43 -8.751 7.119 2.343 1.00 0.00 O ATOM 668 CB VAL A 43 -6.178 5.467 2.339 1.00 0.00 C ATOM 669 CG1 VAL A 43 -5.799 6.325 3.544 1.00 0.00 C ATOM 670 CG2 VAL A 43 -7.097 4.346 2.837 1.00 0.00 C ATOM 0 H VAL A 43 -6.782 8.322 1.543 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.672 5.732 0.263 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.269 5.055 1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.345 5.696 4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.088 7.092 3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.693 6.801 3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.604 3.802 3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.028 4.776 3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.314 3.662 2.017 1.00 0.00 H new ATOM 680 N TYR A 44 -9.131 5.733 0.602 1.00 0.00 N ATOM 681 CA TYR A 44 -10.578 5.715 0.784 1.00 0.00 C ATOM 682 C TYR A 44 -11.231 4.578 -0.011 1.00 0.00 C ATOM 683 O TYR A 44 -10.561 3.859 -0.756 1.00 0.00 O ATOM 684 CB TYR A 44 -11.153 7.108 0.493 1.00 0.00 C ATOM 685 CG TYR A 44 -11.963 7.294 -0.768 1.00 0.00 C ATOM 686 CD1 TYR A 44 -11.349 7.360 -2.034 1.00 0.00 C ATOM 687 CD2 TYR A 44 -13.353 7.431 -0.652 1.00 0.00 C ATOM 688 CE1 TYR A 44 -12.136 7.585 -3.176 1.00 0.00 C ATOM 689 CE2 TYR A 44 -14.136 7.662 -1.788 1.00 0.00 C ATOM 690 CZ TYR A 44 -13.529 7.738 -3.054 1.00 0.00 C ATOM 691 OH TYR A 44 -14.287 7.965 -4.161 1.00 0.00 O ATOM 0 H TYR A 44 -8.800 5.192 -0.197 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.817 5.492 1.824 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -11.781 7.393 1.337 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.322 7.812 0.462 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -10.280 7.238 -2.126 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -13.822 7.358 0.318 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -11.671 7.641 -4.149 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -15.205 7.782 -1.693 1.00 0.00 H new ATOM 0 HH TYR A 44 -13.722 7.914 -4.960 1.00 0.00 H new ATOM 701 N ILE A 45 -12.549 4.420 0.154 1.00 0.00 N ATOM 702 CA ILE A 45 -13.311 3.299 -0.385 1.00 0.00 C ATOM 703 C ILE A 45 -14.332 3.820 -1.398 1.00 0.00 C ATOM 704 O ILE A 45 -15.471 4.114 -1.034 1.00 0.00 O ATOM 705 CB ILE A 45 -13.948 2.498 0.767 1.00 0.00 C ATOM 706 CG1 ILE A 45 -12.792 1.924 1.594 1.00 0.00 C ATOM 707 CG2 ILE A 45 -14.864 1.367 0.286 1.00 0.00 C ATOM 708 CD1 ILE A 45 -13.202 0.808 2.557 1.00 0.00 C ATOM 0 H ILE A 45 -13.122 5.083 0.676 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.657 2.609 -0.918 1.00 0.00 H new ATOM 0 HB ILE A 45 -14.586 3.161 1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.030 1.541 0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.333 2.731 2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.279 0.844 1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.675 1.785 -0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -14.290 0.667 -0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.326 0.458 3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.940 1.189 3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.632 -0.019 1.993 1.00 0.00 H new ATOM 720 N PRO A 46 -13.934 3.939 -2.670 1.00 0.00 N ATOM 721 CA PRO A 46 -14.791 4.400 -3.744 1.00 0.00 C ATOM 722 C PRO A 46 -15.815 3.323 -4.094 1.00 0.00 C ATOM 723 O PRO A 46 -15.565 2.127 -3.932 1.00 0.00 O ATOM 724 CB PRO A 46 -13.857 4.671 -4.920 1.00 0.00 C ATOM 725 CG PRO A 46 -12.731 3.671 -4.693 1.00 0.00 C ATOM 726 CD PRO A 46 -12.609 3.628 -3.175 1.00 0.00 C ATOM 0 HA PRO A 46 -15.353 5.293 -3.471 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.354 4.510 -5.877 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.492 5.698 -4.919 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.972 2.692 -5.106 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.803 3.995 -5.163 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.280 2.646 -2.835 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.874 4.350 -2.820 1.00 0.00 H new ATOM 734 N ARG A 47 -16.979 3.770 -4.576 1.00 0.00 N ATOM 735 CA ARG A 47 -18.128 2.918 -4.853 1.00 0.00 C ATOM 736 C ARG A 47 -19.250 3.783 -5.407 1.00 0.00 C ATOM 737 O ARG A 47 -19.070 4.992 -5.561 1.00 0.00 O ATOM 738 CB ARG A 47 -18.561 2.231 -3.551 1.00 0.00 C ATOM 739 CG ARG A 47 -18.739 3.232 -2.399 1.00 0.00 C ATOM 740 CD ARG A 47 -18.806 2.457 -1.089 1.00 0.00 C ATOM 741 NE ARG A 47 -18.807 3.355 0.067 1.00 0.00 N ATOM 742 CZ ARG A 47 -18.774 2.925 1.329 1.00 0.00 C ATOM 743 NH1 ARG A 47 -18.759 1.623 1.606 1.00 0.00 N ATOM 744 NH2 ARG A 47 -18.762 3.800 2.327 1.00 0.00 N ATOM 0 H ARG A 47 -17.147 4.754 -4.787 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.877 2.151 -5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.498 1.700 -3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -17.817 1.485 -3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.909 3.938 -2.379 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -19.649 3.815 -2.541 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -19.706 1.843 -1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -17.956 1.778 -1.023 1.00 0.00 H new ATOM 0 HE ARG A 47 -18.834 4.361 -0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -18.773 0.940 0.848 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -18.734 1.308 2.576 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -18.778 4.800 2.128 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -18.737 3.472 3.293 1.00 0.00 H new ATOM 758 N ASP A 48 -20.411 3.194 -5.706 1.00 0.00 N ATOM 759 CA ASP A 48 -21.577 3.978 -6.075 1.00 0.00 C ATOM 760 C ASP A 48 -21.878 4.936 -4.926 1.00 0.00 C ATOM 761 O ASP A 48 -22.321 4.524 -3.853 1.00 0.00 O ATOM 762 CB ASP A 48 -22.753 3.065 -6.405 1.00 0.00 C ATOM 763 CG ASP A 48 -22.451 2.167 -7.598 1.00 0.00 C ATOM 764 OD1 ASP A 48 -22.645 2.634 -8.741 1.00 0.00 O ATOM 765 OD2 ASP A 48 -22.025 1.014 -7.357 1.00 0.00 O ATOM 0 H ASP A 48 -20.561 2.185 -5.698 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.388 4.560 -6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -22.991 2.450 -5.537 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -23.635 3.670 -6.618 1.00 0.00 H new ATOM 770 N ARG A 49 -21.622 6.224 -5.174 1.00 0.00 N ATOM 771 CA ARG A 49 -21.604 7.290 -4.183 1.00 0.00 C ATOM 772 C ARG A 49 -22.965 7.626 -3.564 1.00 0.00 C ATOM 773 O ARG A 49 -23.132 8.705 -3.002 1.00 0.00 O ATOM 774 CB ARG A 49 -20.902 8.494 -4.812 1.00 0.00 C ATOM 775 CG ARG A 49 -21.743 9.238 -5.847 1.00 0.00 C ATOM 776 CD ARG A 49 -20.868 10.320 -6.483 1.00 0.00 C ATOM 777 NE ARG A 49 -20.476 11.338 -5.501 1.00 0.00 N ATOM 778 CZ ARG A 49 -19.461 12.187 -5.667 1.00 0.00 C ATOM 779 NH1 ARG A 49 -18.764 12.207 -6.796 1.00 0.00 N ATOM 780 NH2 ARG A 49 -19.126 13.033 -4.699 1.00 0.00 N ATOM 0 H ARG A 49 -21.413 6.561 -6.114 1.00 0.00 H new ATOM 0 HA ARG A 49 -21.046 6.943 -3.313 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -20.620 9.190 -4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -19.979 8.157 -5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -22.108 8.548 -6.608 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -22.618 9.685 -5.376 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -19.976 9.863 -6.912 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -21.409 10.792 -7.303 1.00 0.00 H new ATOM 0 HE ARG A 49 -21.014 11.400 -4.637 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -19.002 11.567 -7.553 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.991 12.863 -6.906 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -19.646 13.036 -3.822 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.349 13.679 -4.833 1.00 0.00 H new ATOM 794 N TYR A 50 -23.931 6.708 -3.665 1.00 0.00 N ATOM 795 CA TYR A 50 -25.282 6.886 -3.152 1.00 0.00 C ATOM 796 C TYR A 50 -25.916 5.555 -2.730 1.00 0.00 C ATOM 797 O TYR A 50 -26.876 5.570 -1.959 1.00 0.00 O ATOM 798 CB TYR A 50 -26.133 7.563 -4.231 1.00 0.00 C ATOM 799 CG TYR A 50 -25.869 6.977 -5.595 1.00 0.00 C ATOM 800 CD1 TYR A 50 -24.754 7.421 -6.315 1.00 0.00 C ATOM 801 CD2 TYR A 50 -26.700 5.983 -6.126 1.00 0.00 C ATOM 802 CE1 TYR A 50 -24.417 6.832 -7.535 1.00 0.00 C ATOM 803 CE2 TYR A 50 -26.381 5.396 -7.359 1.00 0.00 C ATOM 804 CZ TYR A 50 -25.236 5.816 -8.072 1.00 0.00 C ATOM 805 OH TYR A 50 -24.926 5.239 -9.266 1.00 0.00 O ATOM 0 H TYR A 50 -23.787 5.804 -4.116 1.00 0.00 H new ATOM 0 HA TYR A 50 -25.235 7.511 -2.261 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -27.189 7.452 -3.985 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -25.920 8.632 -4.246 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -24.149 8.226 -5.924 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -27.583 5.670 -5.588 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -23.533 7.153 -8.066 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -27.013 4.620 -7.765 1.00 0.00 H new ATOM 0 HH TYR A 50 -25.596 4.558 -9.484 1.00 0.00 H new ATOM 815 N THR A 51 -25.405 4.409 -3.204 1.00 0.00 N ATOM 816 CA THR A 51 -25.875 3.108 -2.733 1.00 0.00 C ATOM 817 C THR A 51 -24.852 2.510 -1.770 1.00 0.00 C ATOM 818 O THR A 51 -25.216 1.702 -0.917 1.00 0.00 O ATOM 819 CB THR A 51 -26.137 2.141 -3.888 1.00 0.00 C ATOM 820 OG1 THR A 51 -24.917 1.737 -4.462 1.00 0.00 O ATOM 821 CG2 THR A 51 -27.000 2.783 -4.966 1.00 0.00 C ATOM 0 H THR A 51 -24.670 4.362 -3.910 1.00 0.00 H new ATOM 0 HA THR A 51 -26.822 3.263 -2.217 1.00 0.00 H new ATOM 0 HB THR A 51 -26.667 1.279 -3.483 1.00 0.00 H new ATOM 0 HG1 THR A 51 -24.977 1.804 -5.438 1.00 0.00 H new ATOM 0 HG21 THR A 51 -27.167 2.068 -5.772 1.00 0.00 H new ATOM 0 HG22 THR A 51 -27.958 3.077 -4.538 1.00 0.00 H new ATOM 0 HG23 THR A 51 -26.493 3.664 -5.361 1.00 0.00 H new ATOM 828 N LYS A 52 -23.587 2.926 -1.918 1.00 0.00 N ATOM 829 CA LYS A 52 -22.438 2.527 -1.108 1.00 0.00 C ATOM 830 C LYS A 52 -22.447 1.047 -0.699 1.00 0.00 C ATOM 831 O LYS A 52 -21.947 0.692 0.366 1.00 0.00 O ATOM 832 CB LYS A 52 -22.250 3.477 0.086 1.00 0.00 C ATOM 833 CG LYS A 52 -23.455 3.568 1.028 1.00 0.00 C ATOM 834 CD LYS A 52 -24.405 4.696 0.622 1.00 0.00 C ATOM 835 CE LYS A 52 -25.669 4.656 1.479 1.00 0.00 C ATOM 836 NZ LYS A 52 -26.627 5.703 1.069 1.00 0.00 N ATOM 0 H LYS A 52 -23.328 3.588 -2.650 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.561 2.622 -1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -21.382 3.151 0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -22.026 4.474 -0.292 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -23.993 2.620 1.024 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -23.108 3.733 2.048 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -23.908 5.659 0.739 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -24.668 4.598 -0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -26.139 3.676 1.393 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -25.405 4.792 2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -27.552 5.519 1.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -26.277 6.633 1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -26.727 5.696 0.034 1.00 0.00 H new ATOM 850 N GLU A 53 -23.016 0.185 -1.547 1.00 0.00 N ATOM 851 CA GLU A 53 -23.141 -1.242 -1.268 1.00 0.00 C ATOM 852 C GLU A 53 -21.797 -1.965 -1.333 1.00 0.00 C ATOM 853 O GLU A 53 -21.679 -3.089 -0.847 1.00 0.00 O ATOM 854 CB GLU A 53 -24.088 -1.866 -2.294 1.00 0.00 C ATOM 855 CG GLU A 53 -25.423 -1.142 -2.284 1.00 0.00 C ATOM 856 CD GLU A 53 -26.434 -1.841 -3.189 1.00 0.00 C ATOM 857 OE1 GLU A 53 -26.443 -1.532 -4.400 1.00 0.00 O ATOM 858 OE2 GLU A 53 -27.198 -2.684 -2.660 1.00 0.00 O ATOM 0 H GLU A 53 -23.403 0.462 -2.449 1.00 0.00 H new ATOM 0 HA GLU A 53 -23.529 -1.350 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.645 -1.813 -3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -24.237 -2.922 -2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -25.810 -1.100 -1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -25.285 -0.113 -2.615 1.00 0.00 H new ATOM 865 N SER A 54 -20.790 -1.325 -1.928 1.00 0.00 N ATOM 866 CA SER A 54 -19.472 -1.929 -2.089 1.00 0.00 C ATOM 867 C SER A 54 -18.514 -1.479 -0.984 1.00 0.00 C ATOM 868 O SER A 54 -18.695 -0.416 -0.391 1.00 0.00 O ATOM 869 CB SER A 54 -18.919 -1.573 -3.467 1.00 0.00 C ATOM 870 OG SER A 54 -17.684 -2.225 -3.664 1.00 0.00 O ATOM 0 H SER A 54 -20.866 -0.382 -2.308 1.00 0.00 H new ATOM 0 HA SER A 54 -19.569 -3.012 -2.009 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.626 -1.870 -4.242 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.789 -0.494 -3.550 1.00 0.00 H new ATOM 0 HG SER A 54 -17.331 -1.997 -4.549 1.00 0.00 H new ATOM 876 N ARG A 55 -17.493 -2.298 -0.718 1.00 0.00 N ATOM 877 CA ARG A 55 -16.517 -2.080 0.343 1.00 0.00 C ATOM 878 C ARG A 55 -15.360 -3.089 0.251 1.00 0.00 C ATOM 879 O ARG A 55 -14.613 -3.267 1.208 1.00 0.00 O ATOM 880 CB ARG A 55 -17.246 -2.220 1.688 1.00 0.00 C ATOM 881 CG ARG A 55 -16.487 -1.573 2.849 1.00 0.00 C ATOM 882 CD ARG A 55 -17.280 -1.803 4.139 1.00 0.00 C ATOM 883 NE ARG A 55 -16.573 -1.274 5.311 1.00 0.00 N ATOM 884 CZ ARG A 55 -15.517 -1.862 5.879 1.00 0.00 C ATOM 885 NH1 ARG A 55 -15.011 -2.989 5.385 1.00 0.00 N ATOM 886 NH2 ARG A 55 -14.951 -1.324 6.954 1.00 0.00 N ATOM 0 H ARG A 55 -17.322 -3.151 -1.250 1.00 0.00 H new ATOM 0 HA ARG A 55 -16.083 -1.085 0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -18.234 -1.766 1.609 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -17.398 -3.277 1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.490 -2.004 2.936 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -16.358 -0.506 2.669 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -18.256 -1.325 4.056 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -17.458 -2.870 4.272 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.910 -0.401 5.718 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.430 -3.417 4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.204 -3.425 5.832 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.323 -0.460 7.348 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.145 -1.775 7.386 1.00 0.00 H new ATOM 900 N GLY A 56 -15.199 -3.765 -0.893 1.00 0.00 N ATOM 901 CA GLY A 56 -14.243 -4.856 -1.032 1.00 0.00 C ATOM 902 C GLY A 56 -12.807 -4.376 -1.246 1.00 0.00 C ATOM 903 O GLY A 56 -11.908 -5.195 -1.422 1.00 0.00 O ATOM 0 H GLY A 56 -15.728 -3.568 -1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.281 -5.480 -0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.538 -5.484 -1.872 1.00 0.00 H new ATOM 907 N PHE A 57 -12.578 -3.063 -1.241 1.00 0.00 N ATOM 908 CA PHE A 57 -11.254 -2.505 -1.445 1.00 0.00 C ATOM 909 C PHE A 57 -11.190 -1.086 -0.894 1.00 0.00 C ATOM 910 O PHE A 57 -12.216 -0.499 -0.553 1.00 0.00 O ATOM 911 CB PHE A 57 -10.922 -2.521 -2.939 1.00 0.00 C ATOM 912 CG PHE A 57 -11.789 -1.631 -3.806 1.00 0.00 C ATOM 913 CD1 PHE A 57 -13.154 -1.903 -3.976 1.00 0.00 C ATOM 914 CD2 PHE A 57 -11.209 -0.533 -4.457 1.00 0.00 C ATOM 915 CE1 PHE A 57 -13.932 -1.087 -4.807 1.00 0.00 C ATOM 916 CE2 PHE A 57 -11.989 0.285 -5.284 1.00 0.00 C ATOM 917 CZ PHE A 57 -13.351 0.007 -5.462 1.00 0.00 C ATOM 0 H PHE A 57 -13.306 -2.364 -1.095 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.519 -3.108 -0.912 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.882 -2.221 -3.066 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -11.005 -3.546 -3.302 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.605 -2.741 -3.466 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.159 -0.318 -4.321 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.982 -1.301 -4.943 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.541 1.130 -5.785 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.952 0.635 -6.103 1.00 0.00 H new ATOM 927 N ALA A 58 -9.976 -0.540 -0.812 1.00 0.00 N ATOM 928 CA ALA A 58 -9.732 0.816 -0.352 1.00 0.00 C ATOM 929 C ALA A 58 -8.520 1.350 -1.099 1.00 0.00 C ATOM 930 O ALA A 58 -7.388 1.156 -0.661 1.00 0.00 O ATOM 931 CB ALA A 58 -9.501 0.836 1.162 1.00 0.00 C ATOM 0 H ALA A 58 -9.125 -1.040 -1.069 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.597 1.448 -0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.320 1.860 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.382 0.444 1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.636 0.219 1.406 1.00 0.00 H new ATOM 937 N PHE A 59 -8.761 2.022 -2.227 1.00 0.00 N ATOM 938 CA PHE A 59 -7.684 2.533 -3.058 1.00 0.00 C ATOM 939 C PHE A 59 -6.897 3.546 -2.238 1.00 0.00 C ATOM 940 O PHE A 59 -7.397 4.632 -1.935 1.00 0.00 O ATOM 941 CB PHE A 59 -8.254 3.144 -4.347 1.00 0.00 C ATOM 942 CG PHE A 59 -7.242 3.935 -5.165 1.00 0.00 C ATOM 943 CD1 PHE A 59 -7.065 5.299 -4.888 1.00 0.00 C ATOM 944 CD2 PHE A 59 -6.493 3.333 -6.191 1.00 0.00 C ATOM 945 CE1 PHE A 59 -6.125 6.049 -5.605 1.00 0.00 C ATOM 946 CE2 PHE A 59 -5.540 4.080 -6.896 1.00 0.00 C ATOM 947 CZ PHE A 59 -5.350 5.435 -6.597 1.00 0.00 C ATOM 0 H PHE A 59 -9.696 2.222 -2.581 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.013 1.731 -3.364 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.659 2.344 -4.967 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.086 3.799 -4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.656 5.772 -4.118 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.652 2.293 -6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.998 7.100 -5.393 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.952 3.611 -7.670 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.606 6.007 -7.132 1.00 0.00 H new ATOM 957 N VAL A 60 -5.664 3.183 -1.881 1.00 0.00 N ATOM 958 CA VAL A 60 -4.751 4.140 -1.269 1.00 0.00 C ATOM 959 C VAL A 60 -3.730 4.513 -2.320 1.00 0.00 C ATOM 960 O VAL A 60 -3.610 3.803 -3.318 1.00 0.00 O ATOM 961 CB VAL A 60 -4.043 3.578 -0.022 1.00 0.00 C ATOM 962 CG1 VAL A 60 -4.948 2.620 0.748 1.00 0.00 C ATOM 963 CG2 VAL A 60 -2.740 2.861 -0.373 1.00 0.00 C ATOM 0 H VAL A 60 -5.281 2.246 -2.004 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.319 5.006 -0.928 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.808 4.437 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.418 2.242 1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.847 3.147 1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.227 1.786 0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.277 2.482 0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.952 2.030 -1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.061 3.559 -0.862 1.00 0.00 H new ATOM 973 N ARG A 61 -3.001 5.613 -2.098 1.00 0.00 N ATOM 974 CA ARG A 61 -1.965 6.021 -3.030 1.00 0.00 C ATOM 975 C ARG A 61 -0.730 6.514 -2.281 1.00 0.00 C ATOM 976 O ARG A 61 -0.875 7.164 -1.242 1.00 0.00 O ATOM 977 CB ARG A 61 -2.531 7.071 -3.994 1.00 0.00 C ATOM 978 CG ARG A 61 -2.404 8.495 -3.444 1.00 0.00 C ATOM 979 CD ARG A 61 -2.995 9.497 -4.433 1.00 0.00 C ATOM 980 NE ARG A 61 -2.399 9.339 -5.764 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.108 9.262 -6.893 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.435 9.388 -6.875 1.00 0.00 N ATOM 983 NH2 ARG A 61 -2.490 9.057 -8.054 1.00 0.00 N ATOM 0 H ARG A 61 -3.113 6.224 -1.289 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.643 5.165 -3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.008 7.005 -4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.581 6.852 -4.190 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.920 8.570 -2.487 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.356 8.730 -3.260 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.074 9.358 -4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.825 10.512 -4.073 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.383 9.285 -5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.920 9.545 -5.992 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.965 9.327 -7.744 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.475 8.959 -8.081 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.031 8.998 -8.916 1.00 0.00 H new ATOM 997 N PHE A 62 0.464 6.205 -2.807 1.00 0.00 N ATOM 998 CA PHE A 62 1.729 6.612 -2.194 1.00 0.00 C ATOM 999 C PHE A 62 2.511 7.552 -3.098 1.00 0.00 C ATOM 1000 O PHE A 62 2.398 7.479 -4.323 1.00 0.00 O ATOM 1001 CB PHE A 62 2.624 5.402 -1.945 1.00 0.00 C ATOM 1002 CG PHE A 62 2.354 4.601 -0.697 1.00 0.00 C ATOM 1003 CD1 PHE A 62 1.170 3.862 -0.551 1.00 0.00 C ATOM 1004 CD2 PHE A 62 3.319 4.589 0.318 1.00 0.00 C ATOM 1005 CE1 PHE A 62 0.972 3.088 0.604 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.130 3.808 1.462 1.00 0.00 C ATOM 1007 CZ PHE A 62 1.963 3.048 1.595 1.00 0.00 C ATOM 0 H PHE A 62 0.576 5.668 -3.667 1.00 0.00 H new ATOM 0 HA PHE A 62 1.469 7.110 -1.260 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.538 4.734 -2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.658 5.746 -1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.415 3.888 -1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.213 5.186 0.216 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.059 2.525 0.729 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.880 3.791 2.238 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.824 2.426 2.467 1.00 0.00 H new ATOM 1017 N HIS A 63 3.308 8.430 -2.469 1.00 0.00 N ATOM 1018 CA HIS A 63 4.127 9.398 -3.174 1.00 0.00 C ATOM 1019 C HIS A 63 5.553 8.903 -3.371 1.00 0.00 C ATOM 1020 O HIS A 63 6.073 8.938 -4.485 1.00 0.00 O ATOM 1021 CB HIS A 63 4.211 10.730 -2.406 1.00 0.00 C ATOM 1022 CG HIS A 63 3.349 10.892 -1.178 1.00 0.00 C ATOM 1023 ND1 HIS A 63 2.433 11.927 -0.994 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.351 10.097 -0.061 1.00 0.00 C ATOM 1025 CE1 HIS A 63 1.928 11.750 0.240 1.00 0.00 C ATOM 1026 NE2 HIS A 63 2.453 10.658 0.815 1.00 0.00 N ATOM 0 H HIS A 63 3.395 8.479 -1.454 1.00 0.00 H new ATOM 0 HA HIS A 63 3.645 9.542 -4.141 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.249 10.880 -2.108 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.959 11.532 -3.099 1.00 0.00 H new ATOM 0 HD1 HIS A 63 2.195 12.665 -1.657 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.941 9.207 0.099 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.200 12.398 0.704 1.00 0.00 H new ATOM 1034 N ASP A 64 6.175 8.445 -2.284 1.00 0.00 N ATOM 1035 CA ASP A 64 7.566 8.027 -2.287 1.00 0.00 C ATOM 1036 C ASP A 64 7.743 6.739 -3.078 1.00 0.00 C ATOM 1037 O ASP A 64 6.965 5.797 -2.931 1.00 0.00 O ATOM 1038 CB ASP A 64 8.002 7.801 -0.843 1.00 0.00 C ATOM 1039 CG ASP A 64 8.535 9.086 -0.218 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.721 9.396 -0.471 1.00 0.00 O ATOM 1041 OD2 ASP A 64 7.762 9.744 0.507 1.00 0.00 O ATOM 0 H ASP A 64 5.721 8.355 -1.375 1.00 0.00 H new ATOM 0 HA ASP A 64 8.174 8.800 -2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.158 7.433 -0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.773 7.031 -0.810 1.00 0.00 H new ATOM 1046 N LYS A 65 8.776 6.703 -3.918 1.00 0.00 N ATOM 1047 CA LYS A 65 9.103 5.532 -4.712 1.00 0.00 C ATOM 1048 C LYS A 65 9.608 4.412 -3.814 1.00 0.00 C ATOM 1049 O LYS A 65 9.091 3.298 -3.884 1.00 0.00 O ATOM 1050 CB LYS A 65 10.170 5.942 -5.728 1.00 0.00 C ATOM 1051 CG LYS A 65 10.716 4.788 -6.575 1.00 0.00 C ATOM 1052 CD LYS A 65 9.643 4.228 -7.510 1.00 0.00 C ATOM 1053 CE LYS A 65 8.901 3.036 -6.920 1.00 0.00 C ATOM 1054 NZ LYS A 65 9.781 1.857 -6.811 1.00 0.00 N ATOM 0 H LYS A 65 9.408 7.490 -4.064 1.00 0.00 H new ATOM 0 HA LYS A 65 8.220 5.160 -5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.750 6.697 -6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.999 6.410 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.567 5.135 -7.161 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.081 3.996 -5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.926 5.015 -7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.108 3.930 -8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.515 3.297 -5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.041 2.794 -7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.210 0.990 -6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.476 1.870 -7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.279 1.878 -5.898 1.00 0.00 H new ATOM 1068 N ARG A 66 10.607 4.697 -2.972 1.00 0.00 N ATOM 1069 CA ARG A 66 11.199 3.692 -2.100 1.00 0.00 C ATOM 1070 C ARG A 66 10.207 3.168 -1.068 1.00 0.00 C ATOM 1071 O ARG A 66 10.283 2.003 -0.674 1.00 0.00 O ATOM 1072 CB ARG A 66 12.470 4.230 -1.430 1.00 0.00 C ATOM 1073 CG ARG A 66 12.245 5.348 -0.402 1.00 0.00 C ATOM 1074 CD ARG A 66 11.825 6.690 -1.009 1.00 0.00 C ATOM 1075 NE ARG A 66 12.797 7.156 -2.002 1.00 0.00 N ATOM 1076 CZ ARG A 66 12.805 8.382 -2.537 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.902 9.295 -2.179 1.00 0.00 N ATOM 1078 NH2 ARG A 66 13.722 8.704 -3.444 1.00 0.00 N ATOM 0 H ARG A 66 11.021 5.625 -2.880 1.00 0.00 H new ATOM 0 HA ARG A 66 11.477 2.844 -2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.980 3.402 -0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.141 4.601 -2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.479 5.027 0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.163 5.492 0.167 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.845 6.589 -1.476 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.726 7.434 -0.218 1.00 0.00 H new ATOM 0 HE ARG A 66 13.517 6.500 -2.306 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.190 9.064 -1.487 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.923 10.225 -2.598 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.419 8.016 -3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.729 9.639 -3.853 1.00 0.00 H new ATOM 1092 N ASP A 67 9.275 4.014 -0.626 1.00 0.00 N ATOM 1093 CA ASP A 67 8.282 3.622 0.363 1.00 0.00 C ATOM 1094 C ASP A 67 7.188 2.781 -0.296 1.00 0.00 C ATOM 1095 O ASP A 67 6.545 1.961 0.355 1.00 0.00 O ATOM 1096 CB ASP A 67 7.680 4.883 0.986 1.00 0.00 C ATOM 1097 CG ASP A 67 6.727 4.581 2.138 1.00 0.00 C ATOM 1098 OD1 ASP A 67 6.873 3.499 2.743 1.00 0.00 O ATOM 1099 OD2 ASP A 67 5.863 5.445 2.396 1.00 0.00 O ATOM 0 H ASP A 67 9.191 4.980 -0.943 1.00 0.00 H new ATOM 0 HA ASP A 67 8.754 3.021 1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.485 5.524 1.346 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.147 5.442 0.217 1.00 0.00 H new ATOM 1104 N ALA A 68 6.973 2.976 -1.600 1.00 0.00 N ATOM 1105 CA ALA A 68 5.929 2.268 -2.306 1.00 0.00 C ATOM 1106 C ALA A 68 6.372 0.845 -2.628 1.00 0.00 C ATOM 1107 O ALA A 68 5.588 -0.092 -2.505 1.00 0.00 O ATOM 1108 CB ALA A 68 5.629 3.035 -3.590 1.00 0.00 C ATOM 0 H ALA A 68 7.513 3.620 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 68 5.034 2.203 -1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.843 2.523 -4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.300 4.044 -3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.530 3.087 -4.202 1.00 0.00 H new ATOM 1114 N GLU A 69 7.630 0.669 -3.038 1.00 0.00 N ATOM 1115 CA GLU A 69 8.118 -0.656 -3.373 1.00 0.00 C ATOM 1116 C GLU A 69 8.394 -1.491 -2.128 1.00 0.00 C ATOM 1117 O GLU A 69 8.407 -2.717 -2.221 1.00 0.00 O ATOM 1118 CB GLU A 69 9.369 -0.561 -4.249 1.00 0.00 C ATOM 1119 CG GLU A 69 10.455 0.283 -3.577 1.00 0.00 C ATOM 1120 CD GLU A 69 11.756 0.243 -4.369 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.581 -0.658 -4.093 1.00 0.00 O ATOM 1122 OE2 GLU A 69 11.919 1.116 -5.251 1.00 0.00 O ATOM 0 H GLU A 69 8.314 1.418 -3.143 1.00 0.00 H new ATOM 0 HA GLU A 69 7.334 -1.162 -3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.754 -1.561 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.109 -0.123 -5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.113 1.314 -3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.631 -0.084 -2.566 1.00 0.00 H new ATOM 1129 N ASP A 70 8.615 -0.867 -0.966 1.00 0.00 N ATOM 1130 CA ASP A 70 8.816 -1.641 0.244 1.00 0.00 C ATOM 1131 C ASP A 70 7.475 -2.167 0.755 1.00 0.00 C ATOM 1132 O ASP A 70 7.388 -3.307 1.207 1.00 0.00 O ATOM 1133 CB ASP A 70 9.505 -0.774 1.292 1.00 0.00 C ATOM 1134 CG ASP A 70 9.915 -1.598 2.509 1.00 0.00 C ATOM 1135 OD1 ASP A 70 10.704 -2.550 2.316 1.00 0.00 O ATOM 1136 OD2 ASP A 70 9.440 -1.272 3.617 1.00 0.00 O ATOM 0 H ASP A 70 8.657 0.145 -0.847 1.00 0.00 H new ATOM 0 HA ASP A 70 9.454 -2.499 0.032 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.386 -0.303 0.856 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.835 0.028 1.602 1.00 0.00 H new ATOM 1141 N ALA A 71 6.425 -1.345 0.684 1.00 0.00 N ATOM 1142 CA ALA A 71 5.115 -1.740 1.175 1.00 0.00 C ATOM 1143 C ALA A 71 4.535 -2.892 0.356 1.00 0.00 C ATOM 1144 O ALA A 71 3.818 -3.728 0.904 1.00 0.00 O ATOM 1145 CB ALA A 71 4.183 -0.531 1.150 1.00 0.00 C ATOM 0 H ALA A 71 6.463 -0.405 0.291 1.00 0.00 H new ATOM 0 HA ALA A 71 5.217 -2.096 2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.199 -0.822 1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.590 0.255 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.094 -0.161 0.128 1.00 0.00 H new ATOM 1151 N MET A 72 4.831 -2.951 -0.945 1.00 0.00 N ATOM 1152 CA MET A 72 4.325 -4.054 -1.749 1.00 0.00 C ATOM 1153 C MET A 72 5.160 -5.299 -1.479 1.00 0.00 C ATOM 1154 O MET A 72 4.635 -6.404 -1.394 1.00 0.00 O ATOM 1155 CB MET A 72 4.313 -3.693 -3.237 1.00 0.00 C ATOM 1156 CG MET A 72 5.587 -4.083 -3.988 1.00 0.00 C ATOM 1157 SD MET A 72 5.488 -3.791 -5.768 1.00 0.00 S ATOM 1158 CE MET A 72 5.624 -1.989 -5.778 1.00 0.00 C ATOM 0 H MET A 72 5.400 -2.269 -1.447 1.00 0.00 H new ATOM 0 HA MET A 72 3.292 -4.259 -1.467 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.462 -4.182 -3.711 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.160 -2.618 -3.337 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.427 -3.520 -3.581 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.795 -5.138 -3.811 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.891 -1.573 -6.469 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.437 -1.604 -4.775 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.626 -1.702 -6.096 1.00 0.00 H new ATOM 1168 N ASP A 73 6.474 -5.108 -1.345 1.00 0.00 N ATOM 1169 CA ASP A 73 7.403 -6.194 -1.086 1.00 0.00 C ATOM 1170 C ASP A 73 7.358 -6.656 0.373 1.00 0.00 C ATOM 1171 O ASP A 73 8.098 -7.565 0.743 1.00 0.00 O ATOM 1172 CB ASP A 73 8.813 -5.727 -1.456 1.00 0.00 C ATOM 1173 CG ASP A 73 9.828 -6.868 -1.415 1.00 0.00 C ATOM 1174 OD1 ASP A 73 9.584 -7.885 -2.102 1.00 0.00 O ATOM 1175 OD2 ASP A 73 10.849 -6.714 -0.702 1.00 0.00 O ATOM 0 H ASP A 73 6.918 -4.192 -1.414 1.00 0.00 H new ATOM 0 HA ASP A 73 7.115 -7.051 -1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.799 -5.291 -2.455 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.125 -4.940 -0.769 1.00 0.00 H new ATOM 1180 N ALA A 74 6.503 -6.053 1.212 1.00 0.00 N ATOM 1181 CA ALA A 74 6.465 -6.390 2.623 1.00 0.00 C ATOM 1182 C ALA A 74 5.062 -6.672 3.150 1.00 0.00 C ATOM 1183 O ALA A 74 4.924 -7.086 4.302 1.00 0.00 O ATOM 1184 CB ALA A 74 7.071 -5.227 3.398 1.00 0.00 C ATOM 0 H ALA A 74 5.836 -5.335 0.930 1.00 0.00 H new ATOM 0 HA ALA A 74 7.029 -7.313 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.056 -5.453 4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.100 -5.071 3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.491 -4.323 3.210 1.00 0.00 H new ATOM 1190 N MET A 75 4.019 -6.466 2.341 1.00 0.00 N ATOM 1191 CA MET A 75 2.671 -6.768 2.802 1.00 0.00 C ATOM 1192 C MET A 75 1.774 -7.435 1.758 1.00 0.00 C ATOM 1193 O MET A 75 0.822 -8.118 2.134 1.00 0.00 O ATOM 1194 CB MET A 75 1.997 -5.481 3.264 1.00 0.00 C ATOM 1195 CG MET A 75 1.040 -5.814 4.400 1.00 0.00 C ATOM 1196 SD MET A 75 -0.132 -4.494 4.810 1.00 0.00 S ATOM 1197 CE MET A 75 1.045 -3.160 5.141 1.00 0.00 C ATOM 0 H MET A 75 4.082 -6.101 1.390 1.00 0.00 H new ATOM 0 HA MET A 75 2.791 -7.486 3.614 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.745 -4.761 3.598 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.457 -5.019 2.438 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.479 -6.710 4.134 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.622 -6.054 5.290 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.504 -2.226 5.291 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.618 -3.395 6.038 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.723 -3.054 4.294 1.00 0.00 H new ATOM 1207 N ASP A 76 2.045 -7.262 0.461 1.00 0.00 N ATOM 1208 CA ASP A 76 1.196 -7.883 -0.542 1.00 0.00 C ATOM 1209 C ASP A 76 1.255 -9.404 -0.411 1.00 0.00 C ATOM 1210 O ASP A 76 2.328 -9.984 -0.244 1.00 0.00 O ATOM 1211 CB ASP A 76 1.652 -7.446 -1.933 1.00 0.00 C ATOM 1212 CG ASP A 76 0.960 -8.237 -3.038 1.00 0.00 C ATOM 1213 OD1 ASP A 76 -0.114 -7.778 -3.481 1.00 0.00 O ATOM 1214 OD2 ASP A 76 1.505 -9.291 -3.429 1.00 0.00 O ATOM 0 H ASP A 76 2.823 -6.713 0.095 1.00 0.00 H new ATOM 0 HA ASP A 76 0.164 -7.567 -0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.446 -6.384 -2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.731 -7.574 -2.017 1.00 0.00 H new ATOM 1219 N GLY A 77 0.087 -10.044 -0.489 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.019 -11.494 -0.465 1.00 0.00 C ATOM 1221 C GLY A 77 0.231 -12.091 0.921 1.00 0.00 C ATOM 1222 O GLY A 77 0.351 -13.311 1.048 1.00 0.00 O ATOM 0 H GLY A 77 -0.810 -9.566 -0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.013 -11.785 -0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.697 -11.916 -1.170 1.00 0.00 H new ATOM 1226 N ALA A 78 0.303 -11.254 1.962 1.00 0.00 N ATOM 1227 CA ALA A 78 0.554 -11.699 3.328 1.00 0.00 C ATOM 1228 C ALA A 78 -0.736 -12.192 3.984 1.00 0.00 C ATOM 1229 O ALA A 78 -0.951 -12.009 5.181 1.00 0.00 O ATOM 1230 CB ALA A 78 1.185 -10.554 4.124 1.00 0.00 C ATOM 0 H ALA A 78 0.187 -10.244 1.875 1.00 0.00 H new ATOM 0 HA ALA A 78 1.248 -12.539 3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.374 -10.882 5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.125 -10.261 3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.505 -9.702 4.137 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.598 -12.816 3.179 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.954 -13.181 3.564 1.00 0.00 C ATOM 1238 C VAL A 79 -3.023 -14.285 4.603 1.00 0.00 C ATOM 1239 O VAL A 79 -2.009 -14.871 4.988 1.00 0.00 O ATOM 1240 CB VAL A 79 -3.734 -13.572 2.311 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -3.292 -14.914 1.729 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -5.231 -13.539 2.517 1.00 0.00 C ATOM 0 H VAL A 79 -1.364 -13.085 2.223 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.400 -12.308 4.041 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.491 -12.805 1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.882 -15.137 0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.237 -14.864 1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.441 -15.699 2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.732 -13.826 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.505 -14.236 3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.537 -12.531 2.798 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.255 -14.552 5.044 1.00 0.00 N ATOM 1253 CA LEU A 80 -4.506 -15.617 6.012 1.00 0.00 C ATOM 1254 C LEU A 80 -5.910 -16.217 5.914 1.00 0.00 C ATOM 1255 O LEU A 80 -6.236 -17.120 6.680 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.227 -15.119 7.441 1.00 0.00 C ATOM 1257 CG LEU A 80 -5.401 -14.388 8.105 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -4.971 -13.934 9.498 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -5.849 -13.162 7.315 1.00 0.00 C ATOM 0 H LEU A 80 -5.089 -14.047 4.746 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.816 -16.424 5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.950 -15.972 8.061 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.367 -14.450 7.417 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.240 -15.083 8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.797 -13.412 9.982 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.692 -14.803 10.094 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.117 -13.262 9.414 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.682 -12.682 7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.020 -12.459 7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.166 -13.467 6.318 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.747 -15.730 4.990 1.00 0.00 N ATOM 1272 CA ASP A 81 -8.110 -16.228 4.877 1.00 0.00 C ATOM 1273 C ASP A 81 -8.615 -16.260 3.432 1.00 0.00 C ATOM 1274 O ASP A 81 -9.754 -16.660 3.197 1.00 0.00 O ATOM 1275 CB ASP A 81 -9.018 -15.380 5.770 1.00 0.00 C ATOM 1276 CG ASP A 81 -10.409 -15.996 5.924 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -10.474 -17.188 6.307 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -11.397 -15.281 5.662 1.00 0.00 O ATOM 0 H ASP A 81 -6.502 -15.001 4.320 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.126 -17.265 5.212 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.560 -15.270 6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -9.110 -14.379 5.347 1.00 0.00 H new ATOM 1283 N GLY A 82 -7.792 -15.847 2.463 1.00 0.00 N ATOM 1284 CA GLY A 82 -8.195 -15.897 1.060 1.00 0.00 C ATOM 1285 C GLY A 82 -8.017 -14.543 0.380 1.00 0.00 C ATOM 1286 O GLY A 82 -7.968 -14.466 -0.845 1.00 0.00 O ATOM 0 H GLY A 82 -6.854 -15.479 2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.604 -16.649 0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.238 -16.206 0.990 1.00 0.00 H new ATOM 1290 N ARG A 83 -7.915 -13.479 1.181 1.00 0.00 N ATOM 1291 CA ARG A 83 -7.568 -12.146 0.723 1.00 0.00 C ATOM 1292 C ARG A 83 -7.112 -11.367 1.945 1.00 0.00 C ATOM 1293 O ARG A 83 -7.670 -11.523 3.028 1.00 0.00 O ATOM 1294 CB ARG A 83 -8.747 -11.452 0.044 1.00 0.00 C ATOM 1295 CG ARG A 83 -9.867 -11.086 1.014 1.00 0.00 C ATOM 1296 CD ARG A 83 -10.622 -9.887 0.467 1.00 0.00 C ATOM 1297 NE ARG A 83 -11.286 -10.216 -0.800 1.00 0.00 N ATOM 1298 CZ ARG A 83 -11.805 -9.316 -1.638 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -11.762 -8.018 -1.355 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -12.370 -9.716 -2.772 1.00 0.00 N ATOM 0 H ARG A 83 -8.076 -13.530 2.187 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.779 -12.200 -0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.393 -10.547 -0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.146 -12.104 -0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.544 -11.930 1.143 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.454 -10.855 1.996 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.363 -9.557 1.195 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.932 -9.057 0.315 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.356 -11.200 -1.058 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.329 -7.699 -0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.162 -7.341 -2.004 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.407 -10.709 -3.001 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.767 -9.030 -3.414 1.00 0.00 H new ATOM 1314 N GLU A 84 -6.097 -10.526 1.775 1.00 0.00 N ATOM 1315 CA GLU A 84 -5.726 -9.574 2.802 1.00 0.00 C ATOM 1316 C GLU A 84 -5.203 -8.335 2.094 1.00 0.00 C ATOM 1317 O GLU A 84 -5.635 -7.222 2.388 1.00 0.00 O ATOM 1318 CB GLU A 84 -4.642 -10.115 3.727 1.00 0.00 C ATOM 1319 CG GLU A 84 -5.205 -10.840 4.954 1.00 0.00 C ATOM 1320 CD GLU A 84 -5.962 -9.889 5.881 1.00 0.00 C ATOM 1321 OE1 GLU A 84 -5.296 -9.004 6.462 1.00 0.00 O ATOM 1322 OE2 GLU A 84 -7.196 -10.050 6.003 1.00 0.00 O ATOM 0 H GLU A 84 -5.520 -10.489 0.934 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.597 -9.359 3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.005 -10.800 3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.010 -9.291 4.058 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.872 -11.638 4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.390 -11.310 5.504 1.00 0.00 H new ATOM 1329 N LEU A 85 -4.267 -8.550 1.158 1.00 0.00 N ATOM 1330 CA LEU A 85 -3.651 -7.461 0.410 1.00 0.00 C ATOM 1331 C LEU A 85 -3.450 -7.785 -1.061 1.00 0.00 C ATOM 1332 O LEU A 85 -3.276 -8.939 -1.447 1.00 0.00 O ATOM 1333 CB LEU A 85 -2.245 -7.155 0.952 1.00 0.00 C ATOM 1334 CG LEU A 85 -2.127 -6.412 2.282 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -3.014 -5.169 2.282 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -2.457 -7.321 3.462 1.00 0.00 C ATOM 0 H LEU A 85 -3.923 -9.476 0.905 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.338 -6.623 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.714 -8.102 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.718 -6.572 0.197 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.091 -6.094 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.917 -4.653 3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.706 -4.502 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.053 -5.463 2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.363 -6.759 4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.478 -7.690 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.766 -8.164 3.476 1.00 0.00 H new ATOM 1348 N ARG A 86 -3.478 -6.715 -1.857 1.00 0.00 N ATOM 1349 CA ARG A 86 -3.063 -6.660 -3.250 1.00 0.00 C ATOM 1350 C ARG A 86 -2.515 -5.257 -3.464 1.00 0.00 C ATOM 1351 O ARG A 86 -3.270 -4.287 -3.466 1.00 0.00 O ATOM 1352 CB ARG A 86 -4.223 -6.948 -4.203 1.00 0.00 C ATOM 1353 CG ARG A 86 -4.452 -8.452 -4.378 1.00 0.00 C ATOM 1354 CD ARG A 86 -3.266 -9.127 -5.072 1.00 0.00 C ATOM 1355 NE ARG A 86 -3.087 -8.610 -6.436 1.00 0.00 N ATOM 1356 CZ ARG A 86 -2.012 -7.957 -6.889 1.00 0.00 C ATOM 1357 NH1 ARG A 86 -0.963 -7.713 -6.110 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -1.983 -7.538 -8.150 1.00 0.00 N ATOM 0 H ARG A 86 -3.812 -5.812 -1.521 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.314 -7.423 -3.462 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.132 -6.484 -3.821 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.018 -6.496 -5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.613 -8.912 -3.403 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.358 -8.617 -4.962 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.358 -8.958 -4.494 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.426 -10.205 -5.106 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.850 -8.763 -7.095 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.965 -8.026 -5.139 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.156 -7.212 -6.483 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.777 -7.715 -8.765 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.166 -7.039 -8.503 1.00 0.00 H new ATOM 1372 N VAL A 87 -1.201 -5.153 -3.641 1.00 0.00 N ATOM 1373 CA VAL A 87 -0.512 -3.875 -3.753 1.00 0.00 C ATOM 1374 C VAL A 87 0.386 -3.875 -4.981 1.00 0.00 C ATOM 1375 O VAL A 87 1.108 -4.838 -5.230 1.00 0.00 O ATOM 1376 CB VAL A 87 0.337 -3.634 -2.504 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.961 -2.242 -2.524 1.00 0.00 C ATOM 1378 CG2 VAL A 87 -0.465 -3.849 -1.225 1.00 0.00 C ATOM 0 H VAL A 87 -0.582 -5.960 -3.711 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.253 -3.081 -3.848 1.00 0.00 H new ATOM 0 HB VAL A 87 1.142 -4.369 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.559 -2.098 -1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.598 -2.141 -3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.172 -1.490 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.174 -3.668 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.308 -3.159 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.834 -4.874 -1.195 1.00 0.00 H new ATOM 1388 N GLN A 88 0.328 -2.779 -5.743 1.00 0.00 N ATOM 1389 CA GLN A 88 1.076 -2.623 -6.979 1.00 0.00 C ATOM 1390 C GLN A 88 0.955 -1.173 -7.425 1.00 0.00 C ATOM 1391 O GLN A 88 0.272 -0.370 -6.790 1.00 0.00 O ATOM 1392 CB GLN A 88 0.491 -3.583 -8.025 1.00 0.00 C ATOM 1393 CG GLN A 88 1.460 -3.898 -9.169 1.00 0.00 C ATOM 1394 CD GLN A 88 0.905 -4.992 -10.069 1.00 0.00 C ATOM 1395 OE1 GLN A 88 0.103 -5.824 -9.648 1.00 0.00 O ATOM 1396 NE2 GLN A 88 1.325 -5.005 -11.331 1.00 0.00 N ATOM 0 H GLN A 88 -0.248 -1.970 -5.510 1.00 0.00 H new ATOM 0 HA GLN A 88 2.131 -2.861 -6.845 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.205 -4.513 -7.534 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.419 -3.148 -8.438 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.641 -2.997 -9.755 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.421 -4.211 -8.761 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.991 -4.303 -11.654 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.981 -5.717 -11.976 1.00 0.00 H new ATOM 1405 N MET A 89 1.620 -0.829 -8.522 1.00 0.00 N ATOM 1406 CA MET A 89 1.610 0.517 -9.057 1.00 0.00 C ATOM 1407 C MET A 89 0.263 0.800 -9.720 1.00 0.00 C ATOM 1408 O MET A 89 -0.339 -0.091 -10.317 1.00 0.00 O ATOM 1409 CB MET A 89 2.773 0.619 -10.040 1.00 0.00 C ATOM 1410 CG MET A 89 4.062 0.433 -9.234 1.00 0.00 C ATOM 1411 SD MET A 89 4.619 1.950 -8.418 1.00 0.00 S ATOM 1412 CE MET A 89 5.933 1.252 -7.397 1.00 0.00 C ATOM 0 H MET A 89 2.183 -1.484 -9.065 1.00 0.00 H new ATOM 0 HA MET A 89 1.735 1.265 -8.274 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.690 -0.143 -10.815 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.769 1.586 -10.542 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.904 -0.339 -8.481 1.00 0.00 H new ATOM 0 HG3 MET A 89 4.849 0.075 -9.898 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.341 2.028 -6.749 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.529 0.444 -6.787 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.724 0.862 -8.038 1.00 0.00 H new ATOM 1422 N ALA A 90 -0.205 2.044 -9.612 1.00 0.00 N ATOM 1423 CA ALA A 90 -1.479 2.450 -10.189 1.00 0.00 C ATOM 1424 C ALA A 90 -1.447 2.387 -11.715 1.00 0.00 C ATOM 1425 O ALA A 90 -0.373 2.323 -12.320 1.00 0.00 O ATOM 1426 CB ALA A 90 -1.808 3.870 -9.720 1.00 0.00 C ATOM 0 H ALA A 90 0.288 2.792 -9.124 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.253 1.760 -9.852 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.761 4.183 -10.147 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.875 3.888 -8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.023 4.552 -10.046 1.00 0.00 H new ATOM 1432 N ARG A 91 -2.625 2.411 -12.346 1.00 0.00 N ATOM 1433 CA ARG A 91 -2.735 2.455 -13.800 1.00 0.00 C ATOM 1434 C ARG A 91 -3.754 3.503 -14.237 1.00 0.00 C ATOM 1435 O ARG A 91 -3.956 3.707 -15.433 1.00 0.00 O ATOM 1436 CB ARG A 91 -3.107 1.056 -14.297 1.00 0.00 C ATOM 1437 CG ARG A 91 -3.011 0.883 -15.818 1.00 0.00 C ATOM 1438 CD ARG A 91 -1.629 1.252 -16.364 1.00 0.00 C ATOM 1439 NE ARG A 91 -0.573 0.455 -15.731 1.00 0.00 N ATOM 1440 CZ ARG A 91 0.733 0.685 -15.895 1.00 0.00 C ATOM 1441 NH1 ARG A 91 1.158 1.681 -16.668 1.00 0.00 N ATOM 1442 NH2 ARG A 91 1.629 -0.088 -15.286 1.00 0.00 N ATOM 0 H ARG A 91 -3.523 2.400 -11.862 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.782 2.749 -14.240 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.454 0.327 -13.818 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.125 0.829 -13.980 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.236 -0.151 -16.078 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.766 1.504 -16.299 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.608 1.095 -17.442 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.439 2.312 -16.193 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.852 -0.321 -15.130 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.484 2.280 -17.144 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.158 1.845 -16.784 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.319 -0.858 -14.693 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.625 0.089 -15.413 1.00 0.00 H new ATOM 1456 N TYR A 92 -4.392 4.181 -13.277 1.00 0.00 N ATOM 1457 CA TYR A 92 -5.315 5.268 -13.567 1.00 0.00 C ATOM 1458 C TYR A 92 -4.977 6.471 -12.688 1.00 0.00 C ATOM 1459 O TYR A 92 -4.173 6.348 -11.766 1.00 0.00 O ATOM 1460 CB TYR A 92 -6.775 4.851 -13.376 1.00 0.00 C ATOM 1461 CG TYR A 92 -7.146 3.480 -13.903 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -6.900 3.134 -15.241 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -7.749 2.552 -13.041 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -7.247 1.861 -15.714 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -8.097 1.277 -13.504 1.00 0.00 C ATOM 1466 CZ TYR A 92 -7.846 0.925 -14.846 1.00 0.00 C ATOM 1467 OH TYR A 92 -8.179 -0.316 -15.294 1.00 0.00 O ATOM 0 H TYR A 92 -4.279 3.988 -12.282 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.200 5.539 -14.617 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.006 4.884 -12.311 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.411 5.590 -13.863 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.442 3.850 -15.907 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.946 2.822 -12.014 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.056 1.597 -16.744 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.557 0.565 -12.835 1.00 0.00 H new ATOM 0 HH TYR A 92 -7.635 -0.988 -14.832 1.00 0.00 H new ATOM 1477 N GLY A 93 -5.587 7.628 -12.962 1.00 0.00 N ATOM 1478 CA GLY A 93 -5.289 8.861 -12.244 1.00 0.00 C ATOM 1479 C GLY A 93 -6.546 9.451 -11.604 1.00 0.00 C ATOM 1480 O GLY A 93 -7.638 8.900 -11.746 1.00 0.00 O ATOM 0 H GLY A 93 -6.298 7.731 -13.686 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.544 8.664 -11.473 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.853 9.587 -12.930 1.00 0.00 H new ATOM 1484 N ARG A 94 -6.388 10.580 -10.899 1.00 0.00 N ATOM 1485 CA ARG A 94 -7.495 11.264 -10.240 1.00 0.00 C ATOM 1486 C ARG A 94 -8.570 11.558 -11.290 1.00 0.00 C ATOM 1487 O ARG A 94 -8.289 12.258 -12.261 1.00 0.00 O ATOM 1488 CB ARG A 94 -6.964 12.535 -9.565 1.00 0.00 C ATOM 1489 CG ARG A 94 -7.895 13.082 -8.480 1.00 0.00 C ATOM 1490 CD ARG A 94 -9.164 13.737 -9.027 1.00 0.00 C ATOM 1491 NE ARG A 94 -9.973 14.281 -7.930 1.00 0.00 N ATOM 1492 CZ ARG A 94 -11.276 14.050 -7.743 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -11.997 13.342 -8.605 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -11.889 14.541 -6.671 1.00 0.00 N ATOM 0 H ARG A 94 -5.486 11.040 -10.773 1.00 0.00 H new ATOM 0 HA ARG A 94 -7.945 10.648 -9.461 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.990 12.323 -9.124 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.811 13.303 -10.323 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.177 12.268 -7.812 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.350 13.812 -7.881 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.899 14.534 -9.722 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.746 13.005 -9.588 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.503 14.884 -7.255 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.558 12.956 -9.441 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.990 13.185 -8.431 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.365 15.093 -5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.883 14.365 -6.527 1.00 0.00 H new ATOM 1508 N PRO A 95 -9.792 11.037 -11.115 1.00 0.00 N ATOM 1509 CA PRO A 95 -10.824 11.114 -12.130 1.00 0.00 C ATOM 1510 C PRO A 95 -11.304 12.553 -12.340 1.00 0.00 C ATOM 1511 O PRO A 95 -11.467 13.296 -11.372 1.00 0.00 O ATOM 1512 CB PRO A 95 -11.938 10.194 -11.635 1.00 0.00 C ATOM 1513 CG PRO A 95 -11.746 10.134 -10.116 1.00 0.00 C ATOM 1514 CD PRO A 95 -10.242 10.314 -9.939 1.00 0.00 C ATOM 0 HA PRO A 95 -10.459 10.801 -13.108 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.921 10.587 -11.895 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.862 9.203 -12.083 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -12.306 10.920 -9.609 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.087 9.184 -9.706 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.019 10.870 -9.028 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.739 9.350 -9.856 1.00 0.00 H new ATOM 1522 N PRO A 96 -11.533 12.950 -13.599 1.00 0.00 N ATOM 1523 CA PRO A 96 -11.969 14.289 -13.976 1.00 0.00 C ATOM 1524 C PRO A 96 -13.460 14.498 -13.738 1.00 0.00 C ATOM 1525 O PRO A 96 -13.939 15.630 -13.680 1.00 0.00 O ATOM 1526 CB PRO A 96 -11.692 14.371 -15.475 1.00 0.00 C ATOM 1527 CG PRO A 96 -11.880 12.933 -15.947 1.00 0.00 C ATOM 1528 CD PRO A 96 -11.354 12.113 -14.771 1.00 0.00 C ATOM 0 HA PRO A 96 -11.452 15.046 -13.386 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -12.381 15.052 -15.975 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -10.684 14.732 -15.678 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -12.926 12.711 -16.158 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.321 12.732 -16.861 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -11.902 11.176 -14.671 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.304 11.855 -14.912 1.00 0.00 H new ATOM 1536 N ASP A 97 -14.194 13.395 -13.598 1.00 0.00 N ATOM 1537 CA ASP A 97 -15.636 13.384 -13.423 1.00 0.00 C ATOM 1538 C ASP A 97 -16.020 12.318 -12.394 1.00 0.00 C ATOM 1539 O ASP A 97 -15.151 11.770 -11.716 1.00 0.00 O ATOM 1540 CB ASP A 97 -16.292 13.113 -14.774 1.00 0.00 C ATOM 1541 CG ASP A 97 -16.096 14.283 -15.735 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -16.715 15.341 -15.484 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -15.327 14.110 -16.709 1.00 0.00 O ATOM 0 H ASP A 97 -13.785 12.461 -13.604 1.00 0.00 H new ATOM 0 HA ASP A 97 -15.983 14.348 -13.052 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -15.869 12.208 -15.210 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -17.357 12.931 -14.633 1.00 0.00 H new ATOM 1548 N SER A 98 -17.315 12.017 -12.271 1.00 0.00 N ATOM 1549 CA SER A 98 -17.796 11.097 -11.244 1.00 0.00 C ATOM 1550 C SER A 98 -18.896 10.165 -11.736 1.00 0.00 C ATOM 1551 O SER A 98 -19.761 9.767 -10.957 1.00 0.00 O ATOM 1552 CB SER A 98 -18.267 11.883 -10.022 1.00 0.00 C ATOM 1553 OG SER A 98 -19.260 12.817 -10.399 1.00 0.00 O ATOM 0 H SER A 98 -18.047 12.398 -12.871 1.00 0.00 H new ATOM 0 HA SER A 98 -16.955 10.458 -10.973 1.00 0.00 H new ATOM 0 HB2 SER A 98 -18.665 11.200 -9.272 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.424 12.401 -9.566 1.00 0.00 H new ATOM 0 HG SER A 98 -19.557 13.315 -9.609 1.00 0.00 H new ATOM 1559 N HIS A 99 -18.881 9.806 -13.022 1.00 0.00 N ATOM 1560 CA HIS A 99 -19.822 8.837 -13.573 1.00 0.00 C ATOM 1561 C HIS A 99 -21.286 9.241 -13.357 1.00 0.00 C ATOM 1562 O HIS A 99 -22.187 8.414 -13.484 1.00 0.00 O ATOM 1563 CB HIS A 99 -19.502 7.467 -12.964 1.00 0.00 C ATOM 1564 CG HIS A 99 -20.233 6.326 -13.632 1.00 0.00 C ATOM 1565 ND1 HIS A 99 -20.137 5.987 -14.984 1.00 0.00 N ATOM 1566 CD2 HIS A 99 -21.091 5.461 -13.013 1.00 0.00 C ATOM 1567 CE1 HIS A 99 -20.944 4.927 -15.145 1.00 0.00 C ATOM 1568 NE2 HIS A 99 -21.530 4.589 -13.983 1.00 0.00 N ATOM 0 H HIS A 99 -18.220 10.178 -13.704 1.00 0.00 H new ATOM 0 HA HIS A 99 -19.703 8.797 -14.656 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -18.429 7.290 -13.032 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -19.757 7.481 -11.904 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -21.369 5.462 -11.969 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -21.102 4.414 -16.082 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -22.186 3.820 -13.845 1.00 0.00 H new ATOM 1576 N HIS A 100 -21.527 10.513 -13.022 1.00 0.00 N ATOM 1577 CA HIS A 100 -22.858 11.020 -12.720 1.00 0.00 C ATOM 1578 C HIS A 100 -22.984 12.484 -13.151 1.00 0.00 C ATOM 1579 O HIS A 100 -23.969 13.147 -12.821 1.00 0.00 O ATOM 1580 CB HIS A 100 -23.115 10.857 -11.216 1.00 0.00 C ATOM 1581 CG HIS A 100 -24.534 11.164 -10.808 1.00 0.00 C ATOM 1582 ND1 HIS A 100 -25.676 10.515 -11.286 1.00 0.00 N ATOM 1583 CD2 HIS A 100 -24.905 12.112 -9.896 1.00 0.00 C ATOM 1584 CE1 HIS A 100 -26.706 11.092 -10.650 1.00 0.00 C ATOM 1585 NE2 HIS A 100 -26.275 12.051 -9.809 1.00 0.00 N ATOM 0 H HIS A 100 -20.795 11.220 -12.954 1.00 0.00 H new ATOM 0 HA HIS A 100 -23.607 10.454 -13.274 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -22.875 9.835 -10.924 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -22.438 11.512 -10.667 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -24.251 12.777 -9.352 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -27.742 10.823 -10.793 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -26.863 12.631 -9.211 1.00 0.00 H new ATOM 1593 N SER A 101 -21.991 12.992 -13.887 1.00 0.00 N ATOM 1594 CA SER A 101 -21.941 14.372 -14.353 1.00 0.00 C ATOM 1595 C SER A 101 -21.292 14.436 -15.727 1.00 0.00 C ATOM 1596 O SER A 101 -20.349 13.645 -15.957 1.00 0.00 O ATOM 1597 CB SER A 101 -21.127 15.220 -13.369 1.00 0.00 C ATOM 1598 OG SER A 101 -21.755 15.237 -12.102 1.00 0.00 O ATOM 1599 OXT SER A 101 -21.747 15.276 -16.534 1.00 0.00 O ATOM 0 H SER A 101 -21.185 12.440 -14.179 1.00 0.00 H new ATOM 0 HA SER A 101 -22.958 14.759 -14.417 1.00 0.00 H new ATOM 0 HB2 SER A 101 -20.119 14.816 -13.278 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.030 16.237 -13.748 1.00 0.00 H new ATOM 0 HG SER A 101 -21.225 15.780 -11.482 1.00 0.00 H new TER 1605 SER A 101 ATOM 1606 O5' U B 102 -14.411 -3.728 -11.847 1.00 0.00 O ATOM 1607 C5' U B 102 -13.050 -3.355 -11.915 1.00 0.00 C ATOM 1608 C4' U B 102 -12.494 -2.982 -10.537 1.00 0.00 C ATOM 1609 O4' U B 102 -12.999 -1.717 -10.159 1.00 0.00 O ATOM 1610 C3' U B 102 -12.898 -4.002 -9.467 1.00 0.00 C ATOM 1611 O3' U B 102 -11.946 -4.096 -8.424 1.00 0.00 O ATOM 1612 C2' U B 102 -14.169 -3.369 -8.925 1.00 0.00 C ATOM 1613 O2' U B 102 -14.407 -3.763 -7.587 1.00 0.00 O ATOM 1614 C1' U B 102 -13.866 -1.874 -9.057 1.00 0.00 C ATOM 1615 N1 U B 102 -15.131 -1.097 -9.154 1.00 0.00 N ATOM 1616 C2 U B 102 -15.489 -0.432 -10.323 1.00 0.00 C ATOM 1617 O2 U B 102 -14.842 -0.464 -11.370 1.00 0.00 O ATOM 1618 N3 U B 102 -16.659 0.312 -10.267 1.00 0.00 N ATOM 1619 C4 U B 102 -17.501 0.430 -9.174 1.00 0.00 C ATOM 1620 O4 U B 102 -18.508 1.132 -9.227 1.00 0.00 O ATOM 1621 C5 U B 102 -17.080 -0.337 -8.024 1.00 0.00 C ATOM 1622 C6 U B 102 -15.934 -1.058 -8.050 1.00 0.00 C ATOM 0 H5' U B 102 -12.938 -2.509 -12.593 1.00 0.00 H new ATOM 0 H5'' U B 102 -12.468 -4.177 -12.332 1.00 0.00 H new ATOM 0 H4' U B 102 -11.407 -2.966 -10.610 1.00 0.00 H new ATOM 0 H3' U B 102 -12.998 -5.014 -9.861 1.00 0.00 H new ATOM 0 H2' U B 102 -15.076 -3.664 -9.452 1.00 0.00 H new ATOM 0 HO2' U B 102 -13.594 -4.165 -7.215 1.00 0.00 H new ATOM 0 HO5' U B 102 -14.732 -3.958 -12.744 1.00 0.00 H new ATOM 0 H1' U B 102 -13.363 -1.476 -8.176 1.00 0.00 H new ATOM 0 H3 U B 102 -16.924 0.820 -11.111 1.00 0.00 H new ATOM 0 H5 U B 102 -17.688 -0.335 -7.131 1.00 0.00 H new ATOM 0 H6 U B 102 -15.647 -1.618 -7.172 1.00 0.00 H new ATOM 1634 P G B 103 -10.403 -4.431 -8.698 1.00 0.00 P ATOM 1635 OP1 G B 103 -10.264 -4.987 -10.065 1.00 0.00 O ATOM 1636 OP2 G B 103 -9.877 -5.188 -7.539 1.00 0.00 O ATOM 1637 O5' G B 103 -9.764 -2.957 -8.680 1.00 0.00 O ATOM 1638 C5' G B 103 -9.675 -2.242 -7.459 1.00 0.00 C ATOM 1639 C4' G B 103 -9.164 -0.818 -7.674 1.00 0.00 C ATOM 1640 O4' G B 103 -7.819 -0.784 -8.113 1.00 0.00 O ATOM 1641 C3' G B 103 -9.932 -0.025 -8.721 1.00 0.00 C ATOM 1642 O3' G B 103 -11.220 0.363 -8.268 1.00 0.00 O ATOM 1643 C2' G B 103 -8.963 1.139 -8.914 1.00 0.00 C ATOM 1644 O2' G B 103 -9.111 2.107 -7.897 1.00 0.00 O ATOM 1645 C1' G B 103 -7.599 0.485 -8.706 1.00 0.00 C ATOM 1646 N9 G B 103 -6.849 0.357 -9.974 1.00 0.00 N ATOM 1647 C8 G B 103 -5.940 1.237 -10.503 1.00 0.00 C ATOM 1648 N7 G B 103 -5.381 0.820 -11.608 1.00 0.00 N ATOM 1649 C5 G B 103 -5.989 -0.418 -11.847 1.00 0.00 C ATOM 1650 C6 G B 103 -5.797 -1.361 -12.901 1.00 0.00 C ATOM 1651 O6 G B 103 -5.023 -1.312 -13.855 1.00 0.00 O ATOM 1652 N1 G B 103 -6.627 -2.463 -12.773 1.00 0.00 N ATOM 1653 C2 G B 103 -7.533 -2.653 -11.757 1.00 0.00 C ATOM 1654 N2 G B 103 -8.252 -3.772 -11.795 1.00 0.00 N ATOM 1655 N3 G B 103 -7.710 -1.784 -10.759 1.00 0.00 N ATOM 1656 C4 G B 103 -6.910 -0.689 -10.863 1.00 0.00 C ATOM 0 H5' G B 103 -9.008 -2.769 -6.777 1.00 0.00 H new ATOM 0 H5'' G B 103 -10.656 -2.209 -6.984 1.00 0.00 H new ATOM 0 H4' G B 103 -9.292 -0.373 -6.687 1.00 0.00 H new ATOM 0 H3' G B 103 -10.174 -0.561 -9.639 1.00 0.00 H new ATOM 0 H2' G B 103 -9.113 1.632 -9.874 1.00 0.00 H new ATOM 0 HO2' G B 103 -10.056 2.177 -7.647 1.00 0.00 H new ATOM 0 H1' G B 103 -6.987 1.110 -8.056 1.00 0.00 H new ATOM 0 H8 G B 103 -5.707 2.188 -10.048 1.00 0.00 H new ATOM 0 H1 G B 103 -6.561 -3.188 -13.487 1.00 0.00 H new ATOM 0 H21 G B 103 -8.939 -3.962 -11.065 1.00 0.00 H new ATOM 0 H22 G B 103 -8.116 -4.440 -12.554 1.00 0.00 H new ATOM 1668 P G B 104 -12.060 1.525 -9.001 1.00 0.00 P ATOM 1669 OP1 G B 104 -13.507 1.283 -8.777 1.00 0.00 O ATOM 1670 OP2 G B 104 -11.544 1.687 -10.380 1.00 0.00 O ATOM 1671 O5' G B 104 -11.655 2.822 -8.140 1.00 0.00 O ATOM 1672 C5' G B 104 -11.585 4.091 -8.745 1.00 0.00 C ATOM 1673 C4' G B 104 -11.701 5.171 -7.673 1.00 0.00 C ATOM 1674 O4' G B 104 -10.529 5.339 -6.899 1.00 0.00 O ATOM 1675 C3' G B 104 -12.013 6.513 -8.299 1.00 0.00 C ATOM 1676 O3' G B 104 -13.409 6.600 -8.496 1.00 0.00 O ATOM 1677 C2' G B 104 -11.525 7.476 -7.228 1.00 0.00 C ATOM 1678 O2' G B 104 -12.578 7.752 -6.331 1.00 0.00 O ATOM 1679 C1' G B 104 -10.423 6.699 -6.513 1.00 0.00 C ATOM 1680 N9 G B 104 -9.121 7.272 -6.920 1.00 0.00 N ATOM 1681 C8 G B 104 -8.515 8.400 -6.435 1.00 0.00 C ATOM 1682 N7 G B 104 -7.417 8.725 -7.058 1.00 0.00 N ATOM 1683 C5 G B 104 -7.248 7.700 -7.986 1.00 0.00 C ATOM 1684 C6 G B 104 -6.195 7.469 -8.921 1.00 0.00 C ATOM 1685 O6 G B 104 -5.228 8.183 -9.182 1.00 0.00 O ATOM 1686 N1 G B 104 -6.342 6.265 -9.592 1.00 0.00 N ATOM 1687 C2 G B 104 -7.382 5.388 -9.393 1.00 0.00 C ATOM 1688 N2 G B 104 -7.354 4.237 -10.057 1.00 0.00 N ATOM 1689 N3 G B 104 -8.401 5.624 -8.571 1.00 0.00 N ATOM 1690 C4 G B 104 -8.265 6.784 -7.882 1.00 0.00 C ATOM 0 H5' G B 104 -12.385 4.202 -9.477 1.00 0.00 H new ATOM 0 H5'' G B 104 -10.644 4.198 -9.284 1.00 0.00 H new ATOM 0 H4' G B 104 -12.503 4.829 -7.019 1.00 0.00 H new ATOM 0 H3' G B 104 -11.555 6.703 -9.270 1.00 0.00 H new ATOM 0 H2' G B 104 -11.178 8.428 -7.630 1.00 0.00 H new ATOM 0 HO2' G B 104 -13.416 7.390 -6.689 1.00 0.00 H new ATOM 0 H1' G B 104 -10.512 6.766 -5.429 1.00 0.00 H new ATOM 0 H8 G B 104 -8.912 8.971 -5.608 1.00 0.00 H new ATOM 0 H1 G B 104 -5.631 6.013 -10.279 1.00 0.00 H new ATOM 0 H21 G B 104 -8.107 3.560 -9.936 1.00 0.00 H new ATOM 0 H22 G B 104 -6.579 4.031 -10.687 1.00 0.00 H new ATOM 1702 P A B 105 -14.071 6.938 -9.918 1.00 0.00 P ATOM 1703 OP1 A B 105 -14.932 5.801 -10.309 1.00 0.00 O ATOM 1704 OP2 A B 105 -13.030 7.420 -10.851 1.00 0.00 O ATOM 1705 O5' A B 105 -15.006 8.172 -9.480 1.00 0.00 O ATOM 1706 C5' A B 105 -14.460 9.429 -9.142 1.00 0.00 C ATOM 1707 C4' A B 105 -15.464 10.316 -8.410 1.00 0.00 C ATOM 1708 O4' A B 105 -16.766 9.876 -8.746 1.00 0.00 O ATOM 1709 C3' A B 105 -15.363 10.200 -6.889 1.00 0.00 C ATOM 1710 O3' A B 105 -16.099 11.265 -6.326 1.00 0.00 O ATOM 1711 C2' A B 105 -16.150 8.922 -6.663 1.00 0.00 C ATOM 1712 O2' A B 105 -16.669 8.824 -5.350 1.00 0.00 O ATOM 1713 C1' A B 105 -17.258 9.063 -7.698 1.00 0.00 C ATOM 1714 N9 A B 105 -17.711 7.732 -8.139 1.00 0.00 N ATOM 1715 C8 A B 105 -16.961 6.597 -8.209 1.00 0.00 C ATOM 1716 N7 A B 105 -17.616 5.530 -8.577 1.00 0.00 N ATOM 1717 C5 A B 105 -18.906 6.007 -8.786 1.00 0.00 C ATOM 1718 C6 A B 105 -20.110 5.388 -9.176 1.00 0.00 C ATOM 1719 N6 A B 105 -20.218 4.086 -9.438 1.00 0.00 N ATOM 1720 N1 A B 105 -21.208 6.146 -9.288 1.00 0.00 N ATOM 1721 C2 A B 105 -21.120 7.440 -9.015 1.00 0.00 C ATOM 1722 N3 A B 105 -20.066 8.144 -8.618 1.00 0.00 N ATOM 1723 C4 A B 105 -18.971 7.352 -8.528 1.00 0.00 C ATOM 0 H5' A B 105 -14.125 9.933 -10.048 1.00 0.00 H new ATOM 0 H5'' A B 105 -13.581 9.284 -8.515 1.00 0.00 H new ATOM 0 H4' A B 105 -15.255 11.344 -8.705 1.00 0.00 H new ATOM 0 H3' A B 105 -14.353 10.211 -6.480 1.00 0.00 H new ATOM 0 H2' A B 105 -15.549 8.019 -6.767 1.00 0.00 H new ATOM 0 HO2' A B 105 -15.963 8.521 -4.741 1.00 0.00 H new ATOM 0 H1' A B 105 -18.142 9.548 -7.283 1.00 0.00 H new ATOM 0 H8 A B 105 -15.906 6.581 -7.978 1.00 0.00 H new ATOM 0 H61 A B 105 -21.118 3.695 -9.716 1.00 0.00 H new ATOM 0 H62 A B 105 -19.401 3.481 -9.360 1.00 0.00 H new ATOM 0 H2 A B 105 -22.035 8.002 -9.132 1.00 0.00 H new ATOM 1735 P G B 106 -15.444 12.663 -5.903 1.00 0.00 P ATOM 1736 OP1 G B 106 -16.526 13.674 -5.869 1.00 0.00 O ATOM 1737 OP2 G B 106 -14.235 12.912 -6.713 1.00 0.00 O ATOM 1738 O5' G B 106 -15.009 12.344 -4.390 1.00 0.00 O ATOM 1739 C5' G B 106 -15.942 11.763 -3.502 1.00 0.00 C ATOM 1740 C4' G B 106 -15.330 11.451 -2.138 1.00 0.00 C ATOM 1741 O4' G B 106 -14.113 10.728 -2.272 1.00 0.00 O ATOM 1742 C3' G B 106 -15.044 12.715 -1.328 1.00 0.00 C ATOM 1743 O3' G B 106 -15.260 12.434 0.043 1.00 0.00 O ATOM 1744 C2' G B 106 -13.570 12.936 -1.583 1.00 0.00 C ATOM 1745 O2' G B 106 -12.940 13.371 -0.400 1.00 0.00 O ATOM 1746 C1' G B 106 -13.025 11.566 -1.918 1.00 0.00 C ATOM 1747 N9 G B 106 -11.978 11.635 -2.955 1.00 0.00 N ATOM 1748 C8 G B 106 -11.984 12.284 -4.161 1.00 0.00 C ATOM 1749 N7 G B 106 -10.855 12.212 -4.812 1.00 0.00 N ATOM 1750 C5 G B 106 -10.046 11.435 -3.989 1.00 0.00 C ATOM 1751 C6 G B 106 -8.693 11.015 -4.151 1.00 0.00 C ATOM 1752 O6 G B 106 -7.916 11.282 -5.066 1.00 0.00 O ATOM 1753 N1 G B 106 -8.267 10.207 -3.107 1.00 0.00 N ATOM 1754 C2 G B 106 -9.040 9.855 -2.028 1.00 0.00 C ATOM 1755 N2 G B 106 -8.488 9.038 -1.139 1.00 0.00 N ATOM 1756 N3 G B 106 -10.293 10.280 -1.838 1.00 0.00 N ATOM 1757 C4 G B 106 -10.737 11.053 -2.865 1.00 0.00 C ATOM 0 H5' G B 106 -16.334 10.845 -3.940 1.00 0.00 H new ATOM 0 H5'' G B 106 -16.786 12.440 -3.372 1.00 0.00 H new ATOM 0 H4' G B 106 -16.070 10.849 -1.611 1.00 0.00 H new ATOM 0 H3' G B 106 -15.663 13.573 -1.591 1.00 0.00 H new ATOM 0 H2' G B 106 -13.404 13.676 -2.366 1.00 0.00 H new ATOM 0 HO2' G B 106 -13.463 13.079 0.376 1.00 0.00 H new ATOM 0 H1' G B 106 -12.528 11.136 -1.049 1.00 0.00 H new ATOM 0 H8 G B 106 -12.848 12.810 -4.540 1.00 0.00 H new ATOM 0 H1 G B 106 -7.313 9.849 -3.143 1.00 0.00 H new ATOM 0 H21 G B 106 -9.018 8.744 -0.318 1.00 0.00 H new ATOM 0 H22 G B 106 -7.534 8.704 -1.277 1.00 0.00 H new ATOM 1769 P U B 107 -16.717 12.571 0.705 1.00 0.00 P ATOM 1770 OP1 U B 107 -16.670 11.961 2.054 1.00 0.00 O ATOM 1771 OP2 U B 107 -17.737 12.130 -0.272 1.00 0.00 O ATOM 1772 O5' U B 107 -16.814 14.163 0.878 1.00 0.00 O ATOM 1773 C5' U B 107 -17.467 14.972 -0.073 1.00 0.00 C ATOM 1774 C4' U B 107 -16.992 16.407 0.118 1.00 0.00 C ATOM 1775 O4' U B 107 -16.155 16.836 -0.942 1.00 0.00 O ATOM 1776 C3' U B 107 -18.104 17.435 0.080 1.00 0.00 C ATOM 1777 O3' U B 107 -18.961 17.414 1.208 1.00 0.00 O ATOM 1778 C2' U B 107 -17.260 18.696 0.013 1.00 0.00 C ATOM 1779 O2' U B 107 -16.745 19.040 1.285 1.00 0.00 O ATOM 1780 C1' U B 107 -16.116 18.255 -0.891 1.00 0.00 C ATOM 1781 N1 U B 107 -16.316 18.903 -2.207 1.00 0.00 N ATOM 1782 C2 U B 107 -15.394 19.869 -2.595 1.00 0.00 C ATOM 1783 O2 U B 107 -14.420 20.174 -1.908 1.00 0.00 O ATOM 1784 N3 U B 107 -15.620 20.486 -3.814 1.00 0.00 N ATOM 1785 C4 U B 107 -16.682 20.230 -4.666 1.00 0.00 C ATOM 1786 O4 U B 107 -16.791 20.847 -5.723 1.00 0.00 O ATOM 1787 C5 U B 107 -17.589 19.217 -4.186 1.00 0.00 C ATOM 1788 C6 U B 107 -17.388 18.594 -3.000 1.00 0.00 C ATOM 0 H5' U B 107 -18.548 14.909 0.052 1.00 0.00 H new ATOM 0 H5'' U B 107 -17.243 14.628 -1.083 1.00 0.00 H new ATOM 0 H4' U B 107 -16.500 16.364 1.090 1.00 0.00 H new ATOM 0 H3' U B 107 -18.818 17.292 -0.731 1.00 0.00 H new ATOM 0 H2' U B 107 -17.816 19.567 -0.334 1.00 0.00 H new ATOM 0 HO2' U B 107 -17.291 18.622 1.983 1.00 0.00 H new ATOM 0 HO3' U B 107 -19.649 18.105 1.109 1.00 0.00 H new ATOM 0 H1' U B 107 -15.129 18.549 -0.533 1.00 0.00 H new ATOM 0 H3 U B 107 -14.945 21.191 -4.111 1.00 0.00 H new ATOM 0 H5 U B 107 -18.447 18.949 -4.785 1.00 0.00 H new ATOM 0 H6 U B 107 -18.087 17.839 -2.674 1.00 0.00 H new TER 1800 U B 107