USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 891 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 13 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 99 GLN :FLIP amide:sc= -0.534 F(o=-3.6!,f=-0.53) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.843 X(o=-0.84,f=-0.85) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -7:sc= 0.597! USER MOD Single : A 19 THR OG1 : rot 140:sc= -0.168 USER MOD Single : A 25 ASN :FLIP amide:sc= -4.58! C(o=-8!,f=-4.6!) USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= -1.01 (180deg=-1.58!) USER MOD Single : A 29 CYS SG : rot 113:sc= -0.659 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -1.1 USER MOD Single : A 36 SER OG : rot -91:sc= 0.716 USER MOD Single : A 37 GLN : amide:sc= -0.0789 X(o=-0.079,f=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.819 F(o=-2.4!,f=-0.82) USER MOD Single : A 43 LYS NZ :NH3+ 152:sc= -0.0987 (180deg=-0.593) USER MOD Single : A 45 THR OG1 : rot 47:sc= -2.38! USER MOD Single : A 46 GLN :FLIP amide:sc= -1.61! C(o=-3.2!,f=-1.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.148 USER MOD Single : A 60 SER OG : rot -94:sc= 0.373 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.449 F(o=-2.1!,f=-0.45) USER MOD Single : A 64 MET CE :methyl 155:sc= -0.0446 (180deg=-0.36) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -0.182 F(o=-0.93,f=-0.18) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 82 SER OG : rot 180:sc= 0.219 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 160:sc= -0.0739 (180deg=-0.43) USER MOD Single : A 91 SER OG : rot 66:sc= 0.618 USER MOD Single : A 94 MET CE :methyl -112:sc= -0.998 (180deg=-4.73!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 177:sc= -5.31! (180deg=-5.4!) USER MOD Single : A 104 CYS SG : rot 50:sc= -0.301 USER MOD Single : A 105 CYS SG : rot -134:sc= -0.0664 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.387 18.567 -15.767 1.00 0.00 N ATOM 2 CA GLY A 1 -7.336 17.558 -15.453 1.00 0.00 C ATOM 3 C GLY A 1 -5.937 18.137 -15.539 1.00 0.00 C ATOM 4 O GLY A 1 -5.642 18.933 -16.429 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.325 18.125 -15.695 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.324 19.356 -15.092 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.246 18.926 -16.733 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.502 17.164 -14.451 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.423 16.719 -16.144 1.00 0.00 H new ATOM 10 N ALA A 2 -5.073 17.736 -14.609 1.00 0.00 N ATOM 11 CA ALA A 2 -3.698 18.220 -14.582 1.00 0.00 C ATOM 12 C ALA A 2 -2.847 17.406 -13.613 1.00 0.00 C ATOM 13 O ALA A 2 -2.069 16.547 -14.026 1.00 0.00 O ATOM 14 CB ALA A 2 -3.663 19.695 -14.206 1.00 0.00 C ATOM 0 H ALA A 2 -5.302 17.077 -13.865 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.279 18.101 -15.581 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.630 20.042 -14.190 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.228 20.271 -14.939 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.106 19.830 -13.219 1.00 0.00 H new ATOM 20 N MET A 3 -3.003 17.684 -12.320 1.00 0.00 N ATOM 21 CA MET A 3 -2.251 16.977 -11.288 1.00 0.00 C ATOM 22 C MET A 3 -2.911 15.644 -10.951 1.00 0.00 C ATOM 23 O MET A 3 -2.745 15.115 -9.851 1.00 0.00 O ATOM 24 CB MET A 3 -2.139 17.835 -10.028 1.00 0.00 C ATOM 25 CG MET A 3 -0.732 17.899 -9.458 1.00 0.00 C ATOM 26 SD MET A 3 -0.233 19.576 -9.025 1.00 0.00 S ATOM 27 CE MET A 3 1.549 19.438 -9.148 1.00 0.00 C ATOM 0 H MET A 3 -3.643 18.393 -11.963 1.00 0.00 H new ATOM 0 HA MET A 3 -1.251 16.781 -11.675 1.00 0.00 H new ATOM 0 HB2 MET A 3 -2.476 18.846 -10.256 1.00 0.00 H new ATOM 0 HB3 MET A 3 -2.812 17.439 -9.268 1.00 0.00 H new ATOM 0 HG2 MET A 3 -0.674 17.267 -8.572 1.00 0.00 H new ATOM 0 HG3 MET A 3 -0.030 17.492 -10.186 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.006 20.398 -8.908 1.00 0.00 H new ATOM 0 HE2 MET A 3 1.905 18.682 -8.448 1.00 0.00 H new ATOM 0 HE3 MET A 3 1.822 19.150 -10.163 1.00 0.00 H new ATOM 37 N ASP A 4 -3.663 15.108 -11.907 1.00 0.00 N ATOM 38 CA ASP A 4 -4.353 13.837 -11.723 1.00 0.00 C ATOM 39 C ASP A 4 -3.914 12.825 -12.778 1.00 0.00 C ATOM 40 O ASP A 4 -4.675 12.496 -13.690 1.00 0.00 O ATOM 41 CB ASP A 4 -5.868 14.047 -11.795 1.00 0.00 C ATOM 42 CG ASP A 4 -6.324 15.242 -10.980 1.00 0.00 C ATOM 43 OD1 ASP A 4 -5.768 15.461 -9.884 1.00 0.00 O ATOM 44 OD2 ASP A 4 -7.239 15.959 -11.438 1.00 0.00 O ATOM 0 H ASP A 4 -3.810 15.537 -12.821 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.093 13.444 -10.740 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.164 14.185 -12.835 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.374 13.151 -11.436 1.00 0.00 H new ATOM 49 N PRO A 5 -2.675 12.306 -12.663 1.00 0.00 N ATOM 50 CA PRO A 5 -2.138 11.317 -13.602 1.00 0.00 C ATOM 51 C PRO A 5 -3.110 10.166 -13.811 1.00 0.00 C ATOM 52 O PRO A 5 -3.180 9.578 -14.889 1.00 0.00 O ATOM 53 CB PRO A 5 -0.858 10.813 -12.917 1.00 0.00 C ATOM 54 CG PRO A 5 -0.896 11.367 -11.528 1.00 0.00 C ATOM 55 CD PRO A 5 -1.707 12.624 -11.609 1.00 0.00 C ATOM 0 HA PRO A 5 -1.959 11.743 -14.589 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.825 9.724 -12.903 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.030 11.152 -13.450 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -1.347 10.655 -10.836 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.110 11.574 -11.162 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.197 12.853 -10.663 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.094 13.487 -11.867 1.00 0.00 H new ATOM 63 N GLU A 6 -3.865 9.865 -12.763 1.00 0.00 N ATOM 64 CA GLU A 6 -4.851 8.799 -12.801 1.00 0.00 C ATOM 65 C GLU A 6 -6.116 9.233 -12.075 1.00 0.00 C ATOM 66 O GLU A 6 -7.105 8.503 -12.039 1.00 0.00 O ATOM 67 CB GLU A 6 -4.289 7.530 -12.159 1.00 0.00 C ATOM 68 CG GLU A 6 -4.602 6.263 -12.939 1.00 0.00 C ATOM 69 CD GLU A 6 -3.375 5.403 -13.166 1.00 0.00 C ATOM 70 OE1 GLU A 6 -2.672 5.627 -14.175 1.00 0.00 O ATOM 71 OE2 GLU A 6 -3.117 4.504 -12.338 1.00 0.00 O ATOM 0 H GLU A 6 -3.810 10.351 -11.868 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.093 8.586 -13.842 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.208 7.630 -12.063 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.691 7.434 -11.150 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.352 5.685 -12.400 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.037 6.531 -13.902 1.00 0.00 H new ATOM 78 N PHE A 7 -6.062 10.426 -11.481 1.00 0.00 N ATOM 79 CA PHE A 7 -7.193 10.962 -10.729 1.00 0.00 C ATOM 80 C PHE A 7 -7.550 10.010 -9.594 1.00 0.00 C ATOM 81 O PHE A 7 -8.571 10.162 -8.922 1.00 0.00 O ATOM 82 CB PHE A 7 -8.396 11.185 -11.648 1.00 0.00 C ATOM 83 CG PHE A 7 -9.455 12.071 -11.052 1.00 0.00 C ATOM 84 CD1 PHE A 7 -9.230 13.430 -10.893 1.00 0.00 C ATOM 85 CD2 PHE A 7 -10.672 11.546 -10.648 1.00 0.00 C ATOM 86 CE1 PHE A 7 -10.200 14.247 -10.343 1.00 0.00 C ATOM 87 CE2 PHE A 7 -11.646 12.358 -10.099 1.00 0.00 C ATOM 88 CZ PHE A 7 -11.410 13.711 -9.946 1.00 0.00 C ATOM 0 H PHE A 7 -5.246 11.038 -11.507 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.913 11.927 -10.306 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.051 11.625 -12.584 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.838 10.220 -11.894 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.286 13.855 -11.202 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -10.862 10.489 -10.764 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -10.012 15.304 -10.224 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -12.591 11.936 -9.790 1.00 0.00 H new ATOM 0 HZ PHE A 7 -12.170 14.348 -9.517 1.00 0.00 H new ATOM 98 N ASN A 8 -6.680 9.026 -9.395 1.00 0.00 N ATOM 99 CA ASN A 8 -6.845 8.024 -8.359 1.00 0.00 C ATOM 100 C ASN A 8 -5.507 7.350 -8.085 1.00 0.00 C ATOM 101 O ASN A 8 -5.406 6.481 -7.220 1.00 0.00 O ATOM 102 CB ASN A 8 -7.876 6.977 -8.784 1.00 0.00 C ATOM 103 CG ASN A 8 -9.303 7.443 -8.564 1.00 0.00 C ATOM 104 OD1 ASN A 8 -9.739 7.628 -7.427 1.00 0.00 O ATOM 105 ND2 ASN A 8 -10.037 7.635 -9.653 1.00 0.00 N ATOM 0 H ASN A 8 -5.836 8.904 -9.954 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.201 8.512 -7.451 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.734 6.739 -9.838 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.707 6.057 -8.224 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.004 7.948 -9.568 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.634 7.469 -10.575 1.00 0.00 H new ATOM 112 N LYS A 9 -4.483 7.761 -8.843 1.00 0.00 N ATOM 113 CA LYS A 9 -3.139 7.201 -8.698 1.00 0.00 C ATOM 114 C LYS A 9 -2.744 7.066 -7.229 1.00 0.00 C ATOM 115 O LYS A 9 -2.346 8.037 -6.581 1.00 0.00 O ATOM 116 CB LYS A 9 -2.119 8.073 -9.433 1.00 0.00 C ATOM 117 CG LYS A 9 -1.272 7.306 -10.436 1.00 0.00 C ATOM 118 CD LYS A 9 -0.200 6.481 -9.745 1.00 0.00 C ATOM 119 CE LYS A 9 0.401 5.447 -10.685 1.00 0.00 C ATOM 120 NZ LYS A 9 1.888 5.445 -10.632 1.00 0.00 N ATOM 0 H LYS A 9 -4.562 8.480 -9.562 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.147 6.204 -9.139 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.645 8.874 -9.952 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.463 8.545 -8.702 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.911 6.651 -11.028 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.804 8.006 -11.129 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.586 7.140 -9.377 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.628 5.980 -8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.027 4.457 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.075 5.651 -11.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.258 4.727 -11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.246 6.382 -10.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.201 5.225 -9.665 1.00 0.00 H new ATOM 134 N ALA A 10 -2.885 5.855 -6.702 1.00 0.00 N ATOM 135 CA ALA A 10 -2.563 5.589 -5.307 1.00 0.00 C ATOM 136 C ALA A 10 -1.076 5.324 -5.104 1.00 0.00 C ATOM 137 O ALA A 10 -0.611 4.200 -5.269 1.00 0.00 O ATOM 138 CB ALA A 10 -3.384 4.416 -4.797 1.00 0.00 C ATOM 0 H ALA A 10 -3.220 5.043 -7.220 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.814 6.482 -4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.136 4.225 -3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.445 4.651 -4.881 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.160 3.530 -5.391 1.00 0.00 H new ATOM 144 N ILE A 11 -0.337 6.365 -4.728 1.00 0.00 N ATOM 145 CA ILE A 11 1.096 6.239 -4.481 1.00 0.00 C ATOM 146 C ILE A 11 1.389 6.296 -2.986 1.00 0.00 C ATOM 147 O ILE A 11 1.185 7.325 -2.343 1.00 0.00 O ATOM 148 CB ILE A 11 1.897 7.351 -5.191 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.732 7.243 -6.708 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.371 7.276 -4.806 1.00 0.00 C ATOM 151 CD1 ILE A 11 1.447 8.569 -7.380 1.00 0.00 C ATOM 0 H ILE A 11 -0.707 7.305 -4.588 1.00 0.00 H new ATOM 0 HA ILE A 11 1.405 5.274 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 11 1.507 8.317 -4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.640 6.816 -7.135 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.920 6.551 -6.929 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.921 8.067 -5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.472 7.400 -3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.775 6.307 -5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.342 8.417 -8.454 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.524 8.988 -6.981 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.270 9.258 -7.190 1.00 0.00 H new ATOM 163 N PHE A 12 1.869 5.184 -2.440 1.00 0.00 N ATOM 164 CA PHE A 12 2.188 5.107 -1.020 1.00 0.00 C ATOM 165 C PHE A 12 3.661 4.766 -0.811 1.00 0.00 C ATOM 166 O PHE A 12 4.089 3.643 -1.079 1.00 0.00 O ATOM 167 CB PHE A 12 1.317 4.051 -0.339 1.00 0.00 C ATOM 168 CG PHE A 12 -0.034 4.550 0.093 1.00 0.00 C ATOM 169 CD1 PHE A 12 -1.110 4.512 -0.775 1.00 0.00 C ATOM 170 CD2 PHE A 12 -0.224 5.048 1.369 1.00 0.00 C ATOM 171 CE1 PHE A 12 -2.355 4.963 -0.378 1.00 0.00 C ATOM 172 CE2 PHE A 12 -1.466 5.501 1.775 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.531 5.459 0.900 1.00 0.00 C ATOM 0 H PHE A 12 2.046 4.324 -2.959 1.00 0.00 H new ATOM 0 HA PHE A 12 1.988 6.082 -0.576 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.181 3.213 -1.023 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.846 3.668 0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.976 4.126 -1.775 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.608 5.084 2.057 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.188 4.928 -1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.601 5.887 2.775 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.502 5.813 1.213 1.00 0.00 H new ATOM 183 N THR A 13 4.432 5.735 -0.325 1.00 0.00 N ATOM 184 CA THR A 13 5.855 5.520 -0.074 1.00 0.00 C ATOM 185 C THR A 13 6.095 5.190 1.391 1.00 0.00 C ATOM 186 O THR A 13 5.705 5.947 2.279 1.00 0.00 O ATOM 187 CB THR A 13 6.696 6.749 -0.456 1.00 0.00 C ATOM 188 OG1 THR A 13 6.398 7.151 -1.798 1.00 0.00 O ATOM 189 CG2 THR A 13 8.180 6.435 -0.335 1.00 0.00 C ATOM 0 H THR A 13 4.098 6.672 -0.098 1.00 0.00 H new ATOM 0 HA THR A 13 6.164 4.682 -0.698 1.00 0.00 H new ATOM 0 HB THR A 13 6.449 7.562 0.227 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.937 7.935 -2.032 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.762 7.315 -0.609 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.410 6.154 0.693 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.433 5.611 -1.002 1.00 0.00 H new ATOM 197 N VAL A 14 6.719 4.040 1.639 1.00 0.00 N ATOM 198 CA VAL A 14 6.988 3.594 3.002 1.00 0.00 C ATOM 199 C VAL A 14 8.354 2.929 3.117 1.00 0.00 C ATOM 200 O VAL A 14 9.044 2.732 2.122 1.00 0.00 O ATOM 201 CB VAL A 14 5.908 2.602 3.478 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.558 2.970 2.893 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.274 1.171 3.103 1.00 0.00 C ATOM 0 H VAL A 14 7.047 3.402 0.914 1.00 0.00 H new ATOM 0 HA VAL A 14 6.975 4.483 3.633 1.00 0.00 H new ATOM 0 HB VAL A 14 5.850 2.663 4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.806 2.260 3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.284 3.975 3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.613 2.940 1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.495 0.493 3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.367 1.091 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.222 0.904 3.569 1.00 0.00 H new ATOM 213 N ASP A 15 8.720 2.562 4.341 1.00 0.00 N ATOM 214 CA ASP A 15 9.986 1.886 4.596 1.00 0.00 C ATOM 215 C ASP A 15 9.770 0.376 4.516 1.00 0.00 C ATOM 216 O ASP A 15 8.671 -0.105 4.763 1.00 0.00 O ATOM 217 CB ASP A 15 10.524 2.288 5.973 1.00 0.00 C ATOM 218 CG ASP A 15 11.574 1.328 6.500 1.00 0.00 C ATOM 219 OD1 ASP A 15 12.470 0.937 5.723 1.00 0.00 O ATOM 220 OD2 ASP A 15 11.500 0.971 7.694 1.00 0.00 O ATOM 0 H ASP A 15 8.155 2.723 5.175 1.00 0.00 H new ATOM 0 HA ASP A 15 10.721 2.179 3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.952 3.289 5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.696 2.337 6.681 1.00 0.00 H new ATOM 225 N ALA A 16 10.801 -0.372 4.146 1.00 0.00 N ATOM 226 CA ALA A 16 10.666 -1.820 4.022 1.00 0.00 C ATOM 227 C ALA A 16 10.860 -2.530 5.351 1.00 0.00 C ATOM 228 O ALA A 16 10.494 -3.697 5.495 1.00 0.00 O ATOM 229 CB ALA A 16 11.637 -2.355 2.980 1.00 0.00 C ATOM 0 H ALA A 16 11.729 -0.008 3.929 1.00 0.00 H new ATOM 0 HA ALA A 16 9.647 -2.026 3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.524 -3.436 2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.425 -1.895 2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.658 -2.118 3.279 1.00 0.00 H new ATOM 235 N LYS A 17 11.422 -1.833 6.325 1.00 0.00 N ATOM 236 CA LYS A 17 11.638 -2.422 7.636 1.00 0.00 C ATOM 237 C LYS A 17 10.330 -2.473 8.419 1.00 0.00 C ATOM 238 O LYS A 17 9.959 -3.513 8.961 1.00 0.00 O ATOM 239 CB LYS A 17 12.689 -1.629 8.414 1.00 0.00 C ATOM 240 CG LYS A 17 13.293 -2.400 9.577 1.00 0.00 C ATOM 241 CD LYS A 17 13.908 -1.466 10.607 1.00 0.00 C ATOM 242 CE LYS A 17 12.899 -1.067 11.670 1.00 0.00 C ATOM 243 NZ LYS A 17 13.211 -1.681 12.992 1.00 0.00 N ATOM 0 H LYS A 17 11.735 -0.866 6.234 1.00 0.00 H new ATOM 0 HA LYS A 17 12.003 -3.440 7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.486 -1.332 7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.235 -0.713 8.792 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.522 -3.008 10.051 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.055 -3.084 9.204 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.761 -1.954 11.079 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.286 -0.573 10.110 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.885 0.018 11.768 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.901 -1.371 11.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.499 -1.384 13.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.199 -2.717 12.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.153 -1.371 13.305 1.00 0.00 H new ATOM 257 N THR A 18 9.651 -1.331 8.498 1.00 0.00 N ATOM 258 CA THR A 18 8.401 -1.259 9.249 1.00 0.00 C ATOM 259 C THR A 18 7.176 -0.996 8.384 1.00 0.00 C ATOM 260 O THR A 18 6.045 -1.130 8.854 1.00 0.00 O ATOM 261 CB THR A 18 8.473 -0.198 10.362 1.00 0.00 C ATOM 262 OG1 THR A 18 7.196 -0.058 10.993 1.00 0.00 O ATOM 263 CG2 THR A 18 8.915 1.145 9.803 1.00 0.00 C ATOM 0 H THR A 18 9.939 -0.457 8.059 1.00 0.00 H new ATOM 0 HA THR A 18 8.281 -2.250 9.687 1.00 0.00 H new ATOM 0 HB THR A 18 9.207 -0.528 11.097 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.531 -0.590 10.507 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.958 1.878 10.609 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.902 1.044 9.351 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.202 1.477 9.048 1.00 0.00 H new ATOM 271 N THR A 19 7.397 -0.616 7.141 1.00 0.00 N ATOM 272 CA THR A 19 6.302 -0.323 6.215 1.00 0.00 C ATOM 273 C THR A 19 5.602 0.982 6.581 1.00 0.00 C ATOM 274 O THR A 19 4.643 1.387 5.923 1.00 0.00 O ATOM 275 CB THR A 19 5.256 -1.453 6.172 1.00 0.00 C ATOM 276 OG1 THR A 19 5.887 -2.719 6.405 1.00 0.00 O ATOM 277 CG2 THR A 19 4.546 -1.476 4.828 1.00 0.00 C ATOM 0 H THR A 19 8.328 -0.500 6.740 1.00 0.00 H new ATOM 0 HA THR A 19 6.757 -0.232 5.229 1.00 0.00 H new ATOM 0 HB THR A 19 4.520 -1.267 6.955 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.315 -3.269 6.980 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.811 -2.281 4.818 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.042 -0.523 4.666 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.275 -1.640 4.034 1.00 0.00 H new ATOM 285 N GLU A 20 6.097 1.640 7.625 1.00 0.00 N ATOM 286 CA GLU A 20 5.531 2.908 8.073 1.00 0.00 C ATOM 287 C GLU A 20 5.428 3.873 6.902 1.00 0.00 C ATOM 288 O GLU A 20 6.442 4.323 6.365 1.00 0.00 O ATOM 289 CB GLU A 20 6.392 3.515 9.181 1.00 0.00 C ATOM 290 CG GLU A 20 5.655 4.523 10.043 1.00 0.00 C ATOM 291 CD GLU A 20 6.595 5.416 10.831 1.00 0.00 C ATOM 292 OE1 GLU A 20 7.451 4.877 11.563 1.00 0.00 O ATOM 293 OE2 GLU A 20 6.475 6.653 10.716 1.00 0.00 O ATOM 0 H GLU A 20 6.890 1.315 8.178 1.00 0.00 H new ATOM 0 HA GLU A 20 4.533 2.724 8.471 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.769 2.714 9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.259 4.000 8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.019 5.141 9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.999 3.994 10.734 1.00 0.00 H new ATOM 300 N ILE A 21 4.202 4.169 6.494 1.00 0.00 N ATOM 301 CA ILE A 21 3.970 5.061 5.365 1.00 0.00 C ATOM 302 C ILE A 21 4.593 6.433 5.583 1.00 0.00 C ATOM 303 O ILE A 21 4.111 7.227 6.390 1.00 0.00 O ATOM 304 CB ILE A 21 2.470 5.232 5.064 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.677 4.001 5.510 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.269 5.479 3.578 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.670 4.293 6.600 1.00 0.00 C ATOM 0 H ILE A 21 3.353 3.805 6.927 1.00 0.00 H new ATOM 0 HA ILE A 21 4.451 4.587 4.509 1.00 0.00 H new ATOM 0 HB ILE A 21 2.100 6.091 5.624 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.157 3.582 4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.372 3.239 5.863 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.206 5.599 3.370 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.801 6.384 3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.656 4.631 3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.145 3.375 6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.186 4.683 7.477 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.048 5.031 6.243 1.00 0.00 H new ATOM 319 N LEU A 22 5.666 6.702 4.843 1.00 0.00 N ATOM 320 CA LEU A 22 6.359 7.981 4.936 1.00 0.00 C ATOM 321 C LEU A 22 5.426 9.126 4.551 1.00 0.00 C ATOM 322 O LEU A 22 5.307 10.111 5.279 1.00 0.00 O ATOM 323 CB LEU A 22 7.599 7.991 4.032 1.00 0.00 C ATOM 324 CG LEU A 22 8.346 6.659 3.913 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.520 6.795 2.957 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.823 6.187 5.280 1.00 0.00 C ATOM 0 H LEU A 22 6.073 6.050 4.173 1.00 0.00 H new ATOM 0 HA LEU A 22 6.677 8.119 5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.295 8.307 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.293 8.743 4.407 1.00 0.00 H new ATOM 0 HG LEU A 22 7.659 5.913 3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.041 5.841 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.155 7.087 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.207 7.555 3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.351 5.239 5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.495 6.931 5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.965 6.052 5.938 1.00 0.00 H new ATOM 338 N VAL A 23 4.767 8.992 3.399 1.00 0.00 N ATOM 339 CA VAL A 23 3.846 10.019 2.920 1.00 0.00 C ATOM 340 C VAL A 23 2.992 9.503 1.758 1.00 0.00 C ATOM 341 O VAL A 23 3.430 8.652 0.983 1.00 0.00 O ATOM 342 CB VAL A 23 4.602 11.298 2.493 1.00 0.00 C ATOM 343 CG1 VAL A 23 6.024 10.955 2.126 1.00 0.00 C ATOM 344 CG2 VAL A 23 3.904 12.017 1.345 1.00 0.00 C ATOM 0 H VAL A 23 4.855 8.184 2.783 1.00 0.00 H new ATOM 0 HA VAL A 23 3.186 10.269 3.750 1.00 0.00 H new ATOM 0 HB VAL A 23 4.607 11.984 3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.551 11.861 1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.525 10.512 2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.025 10.244 1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.469 12.910 1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.844 11.353 0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.898 12.303 1.653 1.00 0.00 H new ATOM 354 N ALA A 24 1.779 10.041 1.633 1.00 0.00 N ATOM 355 CA ALA A 24 0.866 9.660 0.557 1.00 0.00 C ATOM 356 C ALA A 24 0.278 10.902 -0.104 1.00 0.00 C ATOM 357 O ALA A 24 0.130 11.942 0.537 1.00 0.00 O ATOM 358 CB ALA A 24 -0.240 8.754 1.083 1.00 0.00 C ATOM 0 H ALA A 24 1.405 10.746 2.268 1.00 0.00 H new ATOM 0 HA ALA A 24 1.429 9.104 -0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.908 8.483 0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.200 7.851 1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.805 9.279 1.854 1.00 0.00 H new ATOM 364 N ASN A 25 -0.036 10.802 -1.389 1.00 0.00 N ATOM 365 CA ASN A 25 -0.582 11.936 -2.127 1.00 0.00 C ATOM 366 C ASN A 25 -2.105 11.984 -2.067 1.00 0.00 C ATOM 367 O ASN A 25 -2.742 11.169 -1.399 1.00 0.00 O ATOM 368 CB ASN A 25 -0.124 11.883 -3.585 1.00 0.00 C ATOM 369 CG ASN A 25 -0.885 10.850 -4.392 1.00 0.00 C ATOM 370 OD1 ASN A 25 -1.611 11.305 -5.406 1.00 0.00 O flip ATOM 371 ND2 ASN A 25 -0.822 9.653 -4.106 1.00 0.00 N flip ATOM 0 H ASN A 25 0.077 9.952 -1.941 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.205 12.842 -1.653 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.255 12.865 -4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.941 11.655 -3.620 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.252 9.346 -3.318 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.340 8.969 -4.657 1.00 0.00 H new ATOM 378 N ASP A 26 -2.674 12.955 -2.777 1.00 0.00 N ATOM 379 CA ASP A 26 -4.123 13.126 -2.815 1.00 0.00 C ATOM 380 C ASP A 26 -4.785 11.875 -3.372 1.00 0.00 C ATOM 381 O ASP A 26 -5.441 11.148 -2.634 1.00 0.00 O ATOM 382 CB ASP A 26 -4.499 14.344 -3.661 1.00 0.00 C ATOM 383 CG ASP A 26 -3.463 15.449 -3.578 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.507 15.428 -4.383 1.00 0.00 O ATOM 385 OD2 ASP A 26 -3.609 16.335 -2.710 1.00 0.00 O ATOM 0 H ASP A 26 -2.154 13.634 -3.333 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.478 13.289 -1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.617 14.038 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.464 14.729 -3.330 1.00 0.00 H new ATOM 390 N LYS A 27 -4.616 11.642 -4.674 1.00 0.00 N ATOM 391 CA LYS A 27 -5.206 10.479 -5.339 1.00 0.00 C ATOM 392 C LYS A 27 -5.267 9.280 -4.396 1.00 0.00 C ATOM 393 O LYS A 27 -6.351 8.855 -3.998 1.00 0.00 O ATOM 394 CB LYS A 27 -4.400 10.126 -6.588 1.00 0.00 C ATOM 395 CG LYS A 27 -4.781 10.948 -7.806 1.00 0.00 C ATOM 396 CD LYS A 27 -3.583 11.214 -8.703 1.00 0.00 C ATOM 397 CE LYS A 27 -2.723 12.348 -8.168 1.00 0.00 C ATOM 398 NZ LYS A 27 -3.548 13.463 -7.623 1.00 0.00 N ATOM 0 H LYS A 27 -4.073 12.246 -5.291 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.225 10.733 -5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.340 10.270 -6.379 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.540 9.069 -6.814 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.550 10.423 -8.373 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.212 11.896 -7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.982 10.309 -8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.928 11.461 -9.707 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.066 11.967 -7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.084 12.726 -8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.046 14.364 -7.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.459 13.497 -8.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.716 13.307 -6.609 1.00 0.00 H new ATOM 412 N ALA A 28 -4.100 8.753 -4.030 1.00 0.00 N ATOM 413 CA ALA A 28 -4.020 7.617 -3.111 1.00 0.00 C ATOM 414 C ALA A 28 -4.965 7.788 -1.924 1.00 0.00 C ATOM 415 O ALA A 28 -5.810 6.933 -1.656 1.00 0.00 O ATOM 416 CB ALA A 28 -2.594 7.455 -2.611 1.00 0.00 C ATOM 0 H ALA A 28 -3.196 9.094 -4.356 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.322 6.724 -3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.542 6.608 -1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.929 7.280 -3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.286 8.361 -2.089 1.00 0.00 H new ATOM 422 N CYS A 29 -4.808 8.899 -1.214 1.00 0.00 N ATOM 423 CA CYS A 29 -5.633 9.193 -0.049 1.00 0.00 C ATOM 424 C CYS A 29 -7.117 9.157 -0.407 1.00 0.00 C ATOM 425 O CYS A 29 -7.937 8.652 0.361 1.00 0.00 O ATOM 426 CB CYS A 29 -5.252 10.561 0.527 1.00 0.00 C ATOM 427 SG CYS A 29 -6.470 11.864 0.228 1.00 0.00 S ATOM 0 H CYS A 29 -4.113 9.615 -1.427 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.453 8.427 0.706 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.103 10.460 1.602 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.297 10.868 0.100 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.011 12.220 1.355 1.00 0.00 H new ATOM 433 N GLY A 30 -7.452 9.678 -1.582 1.00 0.00 N ATOM 434 CA GLY A 30 -8.834 9.676 -2.025 1.00 0.00 C ATOM 435 C GLY A 30 -9.364 8.266 -2.162 1.00 0.00 C ATOM 436 O GLY A 30 -10.525 7.992 -1.860 1.00 0.00 O ATOM 0 H GLY A 30 -6.792 10.101 -2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.447 10.230 -1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.912 10.191 -2.982 1.00 0.00 H new ATOM 440 N LEU A 31 -8.493 7.371 -2.617 1.00 0.00 N ATOM 441 CA LEU A 31 -8.842 5.970 -2.796 1.00 0.00 C ATOM 442 C LEU A 31 -9.448 5.406 -1.511 1.00 0.00 C ATOM 443 O LEU A 31 -10.585 4.933 -1.512 1.00 0.00 O ATOM 444 CB LEU A 31 -7.594 5.180 -3.224 1.00 0.00 C ATOM 445 CG LEU A 31 -7.723 3.650 -3.292 1.00 0.00 C ATOM 446 CD1 LEU A 31 -7.259 3.028 -1.987 1.00 0.00 C ATOM 447 CD2 LEU A 31 -9.146 3.216 -3.627 1.00 0.00 C ATOM 0 H LEU A 31 -7.531 7.597 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.592 5.878 -3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.288 5.538 -4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.787 5.421 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.082 3.295 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.355 1.944 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.216 3.291 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.872 3.402 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.195 2.128 -3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.828 3.583 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.433 3.627 -4.595 1.00 0.00 H new ATOM 459 N LEU A 32 -8.695 5.463 -0.413 1.00 0.00 N ATOM 460 CA LEU A 32 -9.200 4.953 0.858 1.00 0.00 C ATOM 461 C LEU A 32 -9.911 6.054 1.653 1.00 0.00 C ATOM 462 O LEU A 32 -11.138 6.058 1.747 1.00 0.00 O ATOM 463 CB LEU A 32 -8.092 4.294 1.687 1.00 0.00 C ATOM 464 CG LEU A 32 -6.842 5.136 1.941 1.00 0.00 C ATOM 465 CD1 LEU A 32 -6.271 4.816 3.314 1.00 0.00 C ATOM 466 CD2 LEU A 32 -5.805 4.889 0.858 1.00 0.00 C ATOM 0 H LEU A 32 -7.752 5.849 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.934 4.180 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.512 4.006 2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.789 3.376 1.184 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.116 6.191 1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.380 5.420 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.015 5.039 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.008 3.759 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.922 5.497 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.527 3.835 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.222 5.158 -0.113 1.00 0.00 H new ATOM 478 N GLY A 33 -9.148 6.987 2.218 1.00 0.00 N ATOM 479 CA GLY A 33 -9.753 8.065 2.983 1.00 0.00 C ATOM 480 C GLY A 33 -8.818 8.647 4.026 1.00 0.00 C ATOM 481 O GLY A 33 -9.242 8.968 5.137 1.00 0.00 O ATOM 0 H GLY A 33 -8.130 7.016 2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.066 8.856 2.301 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.652 7.694 3.475 1.00 0.00 H new ATOM 485 N TYR A 34 -7.548 8.786 3.666 1.00 0.00 N ATOM 486 CA TYR A 34 -6.545 9.335 4.574 1.00 0.00 C ATOM 487 C TYR A 34 -5.778 10.471 3.894 1.00 0.00 C ATOM 488 O TYR A 34 -6.355 11.240 3.126 1.00 0.00 O ATOM 489 CB TYR A 34 -5.578 8.233 5.016 1.00 0.00 C ATOM 490 CG TYR A 34 -6.096 7.367 6.146 1.00 0.00 C ATOM 491 CD1 TYR A 34 -7.258 6.621 6.002 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.415 7.292 7.355 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.727 5.826 7.031 1.00 0.00 C ATOM 494 CE2 TYR A 34 -5.877 6.500 8.388 1.00 0.00 C ATOM 495 CZ TYR A 34 -7.033 5.769 8.222 1.00 0.00 C ATOM 496 OH TYR A 34 -7.499 4.979 9.247 1.00 0.00 O ATOM 0 H TYR A 34 -7.186 8.525 2.749 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.049 9.735 5.454 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.354 7.597 4.160 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.639 8.692 5.326 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.804 6.662 5.071 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.508 7.863 7.489 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.633 5.252 6.903 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.335 6.454 9.321 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.895 5.050 10.015 1.00 0.00 H new ATOM 506 N SER A 35 -4.476 10.559 4.176 1.00 0.00 N ATOM 507 CA SER A 35 -3.610 11.579 3.589 1.00 0.00 C ATOM 508 C SER A 35 -2.219 11.506 4.203 1.00 0.00 C ATOM 509 O SER A 35 -2.035 10.925 5.270 1.00 0.00 O ATOM 510 CB SER A 35 -4.186 12.980 3.773 1.00 0.00 C ATOM 511 OG SER A 35 -4.367 13.288 5.144 1.00 0.00 O ATOM 0 H SER A 35 -3.996 9.926 4.816 1.00 0.00 H new ATOM 0 HA SER A 35 -3.545 11.380 2.519 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.518 13.712 3.319 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.141 13.054 3.253 1.00 0.00 H new ATOM 0 HG SER A 35 -4.735 14.192 5.230 1.00 0.00 H new ATOM 517 N SER A 36 -1.242 12.086 3.519 1.00 0.00 N ATOM 518 CA SER A 36 0.141 12.075 3.991 1.00 0.00 C ATOM 519 C SER A 36 0.255 12.525 5.447 1.00 0.00 C ATOM 520 O SER A 36 1.156 12.095 6.164 1.00 0.00 O ATOM 521 CB SER A 36 1.009 12.972 3.110 1.00 0.00 C ATOM 522 OG SER A 36 0.224 13.944 2.439 1.00 0.00 O ATOM 0 H SER A 36 -1.380 12.572 2.633 1.00 0.00 H new ATOM 0 HA SER A 36 0.493 11.045 3.929 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.762 13.468 3.722 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.542 12.363 2.380 1.00 0.00 H new ATOM 0 HG SER A 36 -0.053 13.595 1.566 1.00 0.00 H new ATOM 528 N GLN A 37 -0.644 13.405 5.876 1.00 0.00 N ATOM 529 CA GLN A 37 -0.612 13.918 7.243 1.00 0.00 C ATOM 530 C GLN A 37 -1.618 13.218 8.156 1.00 0.00 C ATOM 531 O GLN A 37 -1.619 13.444 9.367 1.00 0.00 O ATOM 532 CB GLN A 37 -0.879 15.422 7.245 1.00 0.00 C ATOM 533 CG GLN A 37 -2.081 15.829 6.406 1.00 0.00 C ATOM 534 CD GLN A 37 -2.018 17.277 5.963 1.00 0.00 C ATOM 535 OE1 GLN A 37 -2.857 18.093 6.345 1.00 0.00 O ATOM 536 NE2 GLN A 37 -1.019 17.606 5.153 1.00 0.00 N ATOM 0 H GLN A 37 -1.400 13.777 5.301 1.00 0.00 H new ATOM 0 HA GLN A 37 0.384 13.714 7.636 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.034 15.753 8.272 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.005 15.940 6.873 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.141 15.186 5.528 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.993 15.668 6.982 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.345 16.898 4.861 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.925 18.567 4.823 1.00 0.00 H new ATOM 545 N ASP A 38 -2.480 12.388 7.581 1.00 0.00 N ATOM 546 CA ASP A 38 -3.493 11.690 8.370 1.00 0.00 C ATOM 547 C ASP A 38 -3.256 10.184 8.406 1.00 0.00 C ATOM 548 O ASP A 38 -3.976 9.456 9.091 1.00 0.00 O ATOM 549 CB ASP A 38 -4.885 11.977 7.805 1.00 0.00 C ATOM 550 CG ASP A 38 -5.352 13.389 8.102 1.00 0.00 C ATOM 551 OD1 ASP A 38 -4.548 14.330 7.928 1.00 0.00 O ATOM 552 OD2 ASP A 38 -6.520 13.555 8.510 1.00 0.00 O ATOM 0 H ASP A 38 -2.500 12.182 6.582 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.422 12.062 9.392 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.875 11.820 6.726 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.597 11.266 8.224 1.00 0.00 H new ATOM 557 N LEU A 39 -2.257 9.714 7.667 1.00 0.00 N ATOM 558 CA LEU A 39 -1.957 8.286 7.628 1.00 0.00 C ATOM 559 C LEU A 39 -0.484 8.008 7.918 1.00 0.00 C ATOM 560 O LEU A 39 -0.094 6.857 8.115 1.00 0.00 O ATOM 561 CB LEU A 39 -2.355 7.695 6.270 1.00 0.00 C ATOM 562 CG LEU A 39 -1.458 8.079 5.092 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.369 7.043 4.887 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.288 8.232 3.826 1.00 0.00 C ATOM 0 H LEU A 39 -1.646 10.294 7.092 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.542 7.805 8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.365 6.608 6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.375 8.007 6.043 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.984 9.034 5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.257 7.336 4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.242 6.975 5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.823 6.073 4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.637 8.505 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.786 7.289 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.036 9.011 3.973 1.00 0.00 H new ATOM 576 N ILE A 40 0.331 9.057 7.947 1.00 0.00 N ATOM 577 CA ILE A 40 1.755 8.897 8.217 1.00 0.00 C ATOM 578 C ILE A 40 1.991 8.394 9.638 1.00 0.00 C ATOM 579 O ILE A 40 1.261 8.755 10.564 1.00 0.00 O ATOM 580 CB ILE A 40 2.524 10.218 8.003 1.00 0.00 C ATOM 581 CG1 ILE A 40 4.039 9.957 7.980 1.00 0.00 C ATOM 582 CG2 ILE A 40 2.149 11.238 9.070 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.713 10.053 9.333 1.00 0.00 C ATOM 0 H ILE A 40 0.033 10.020 7.788 1.00 0.00 H new ATOM 0 HA ILE A 40 2.131 8.157 7.510 1.00 0.00 H new ATOM 0 HB ILE A 40 2.242 10.635 7.036 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.218 8.963 7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.508 10.671 7.303 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.702 12.162 8.901 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.079 11.441 9.019 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.397 10.842 10.055 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.779 9.855 9.223 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.570 11.054 9.741 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.275 9.320 10.010 1.00 0.00 H new ATOM 595 N GLY A 41 3.008 7.558 9.803 1.00 0.00 N ATOM 596 CA GLY A 41 3.323 7.015 11.111 1.00 0.00 C ATOM 597 C GLY A 41 2.727 5.639 11.325 1.00 0.00 C ATOM 598 O GLY A 41 3.182 4.885 12.184 1.00 0.00 O ATOM 0 H GLY A 41 3.623 7.245 9.052 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.405 6.961 11.228 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.953 7.692 11.881 1.00 0.00 H new ATOM 602 N GLN A 42 1.705 5.312 10.542 1.00 0.00 N ATOM 603 CA GLN A 42 1.043 4.015 10.646 1.00 0.00 C ATOM 604 C GLN A 42 1.494 3.083 9.526 1.00 0.00 C ATOM 605 O GLN A 42 2.471 3.362 8.830 1.00 0.00 O ATOM 606 CB GLN A 42 -0.476 4.192 10.596 1.00 0.00 C ATOM 607 CG GLN A 42 -1.000 5.253 11.549 1.00 0.00 C ATOM 608 CD GLN A 42 -2.436 5.643 11.254 1.00 0.00 C ATOM 609 OE1 GLN A 42 -2.622 6.519 10.272 1.00 0.00 O flip ATOM 610 NE2 GLN A 42 -3.367 5.165 11.901 1.00 0.00 N flip ATOM 0 H GLN A 42 1.316 5.927 9.827 1.00 0.00 H new ATOM 0 HA GLN A 42 1.320 3.567 11.600 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.769 4.453 9.579 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.952 3.240 10.830 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.930 4.884 12.572 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.367 6.138 11.486 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.179 4.495 12.647 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.327 5.439 11.691 1.00 0.00 H new ATOM 619 N LYS A 43 0.769 1.983 9.352 1.00 0.00 N ATOM 620 CA LYS A 43 1.084 1.013 8.310 1.00 0.00 C ATOM 621 C LYS A 43 -0.045 0.961 7.288 1.00 0.00 C ATOM 622 O LYS A 43 -1.196 0.719 7.642 1.00 0.00 O ATOM 623 CB LYS A 43 1.304 -0.373 8.918 1.00 0.00 C ATOM 624 CG LYS A 43 2.516 -0.447 9.830 1.00 0.00 C ATOM 625 CD LYS A 43 3.017 -1.874 9.977 1.00 0.00 C ATOM 626 CE LYS A 43 3.603 -2.120 11.356 1.00 0.00 C ATOM 627 NZ LYS A 43 2.578 -1.989 12.426 1.00 0.00 N ATOM 0 H LYS A 43 -0.042 1.741 9.921 1.00 0.00 H new ATOM 0 HA LYS A 43 2.002 1.324 7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.416 -0.659 9.482 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.419 -1.100 8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.313 0.180 9.429 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.259 -0.048 10.811 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.196 -2.569 9.800 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.773 -2.075 9.218 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.040 -3.118 11.392 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.411 -1.412 11.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.841 -2.588 13.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.523 -0.997 12.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.653 -2.290 12.059 1.00 0.00 H new ATOM 641 N LEU A 44 0.285 1.229 6.029 1.00 0.00 N ATOM 642 CA LEU A 44 -0.716 1.249 4.960 1.00 0.00 C ATOM 643 C LEU A 44 -1.655 0.042 4.998 1.00 0.00 C ATOM 644 O LEU A 44 -2.863 0.195 4.847 1.00 0.00 O ATOM 645 CB LEU A 44 -0.046 1.329 3.586 1.00 0.00 C ATOM 646 CG LEU A 44 1.354 0.719 3.486 1.00 0.00 C ATOM 647 CD1 LEU A 44 1.286 -0.798 3.469 1.00 0.00 C ATOM 648 CD2 LEU A 44 2.047 1.223 2.239 1.00 0.00 C ATOM 0 H LEU A 44 1.235 1.435 5.721 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.319 2.141 5.130 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.690 0.832 2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.014 2.377 3.294 1.00 0.00 H new ATOM 0 HG LEU A 44 1.925 1.023 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.294 -1.207 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.815 -1.151 4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.700 -1.126 2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.043 0.785 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.468 0.939 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.130 2.309 2.283 1.00 0.00 H new ATOM 660 N THR A 45 -1.099 -1.152 5.164 1.00 0.00 N ATOM 661 CA THR A 45 -1.901 -2.374 5.180 1.00 0.00 C ATOM 662 C THR A 45 -3.008 -2.338 6.225 1.00 0.00 C ATOM 663 O THR A 45 -3.926 -3.156 6.187 1.00 0.00 O ATOM 664 CB THR A 45 -1.032 -3.616 5.388 1.00 0.00 C ATOM 665 OG1 THR A 45 -0.167 -3.441 6.515 1.00 0.00 O ATOM 666 CG2 THR A 45 -0.215 -3.884 4.138 1.00 0.00 C ATOM 0 H THR A 45 -0.098 -1.302 5.289 1.00 0.00 H new ATOM 0 HA THR A 45 -2.372 -2.432 4.199 1.00 0.00 H new ATOM 0 HB THR A 45 -1.680 -4.470 5.583 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.682 -3.088 7.271 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.403 -4.769 4.290 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.885 -4.049 3.294 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.425 -3.026 3.931 1.00 0.00 H new ATOM 674 N GLN A 46 -2.938 -1.379 7.137 1.00 0.00 N ATOM 675 CA GLN A 46 -3.964 -1.243 8.159 1.00 0.00 C ATOM 676 C GLN A 46 -5.282 -0.867 7.499 1.00 0.00 C ATOM 677 O GLN A 46 -6.360 -1.082 8.048 1.00 0.00 O ATOM 678 CB GLN A 46 -3.568 -0.186 9.191 1.00 0.00 C ATOM 679 CG GLN A 46 -2.634 -0.711 10.270 1.00 0.00 C ATOM 680 CD GLN A 46 -2.494 0.248 11.434 1.00 0.00 C ATOM 681 OE1 GLN A 46 -2.143 1.492 11.135 1.00 0.00 O flip ATOM 682 NE2 GLN A 46 -2.698 -0.125 12.589 1.00 0.00 N flip ATOM 0 H GLN A 46 -2.188 -0.689 7.190 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.074 -2.195 8.679 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -3.087 0.647 8.679 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.469 0.206 9.662 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.007 -1.668 10.635 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.651 -0.897 9.836 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.966 -1.092 12.773 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.599 0.533 13.362 1.00 0.00 H new ATOM 691 N PHE A 47 -5.175 -0.288 6.308 1.00 0.00 N ATOM 692 CA PHE A 47 -6.343 0.134 5.550 1.00 0.00 C ATOM 693 C PHE A 47 -6.479 -0.688 4.270 1.00 0.00 C ATOM 694 O PHE A 47 -6.790 -0.150 3.206 1.00 0.00 O ATOM 695 CB PHE A 47 -6.249 1.626 5.207 1.00 0.00 C ATOM 696 CG PHE A 47 -5.198 2.371 5.987 1.00 0.00 C ATOM 697 CD1 PHE A 47 -5.361 2.610 7.342 1.00 0.00 C ATOM 698 CD2 PHE A 47 -4.048 2.828 5.362 1.00 0.00 C ATOM 699 CE1 PHE A 47 -4.396 3.292 8.059 1.00 0.00 C ATOM 700 CE2 PHE A 47 -3.080 3.511 6.075 1.00 0.00 C ATOM 701 CZ PHE A 47 -3.254 3.741 7.427 1.00 0.00 C ATOM 0 H PHE A 47 -4.285 -0.100 5.846 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.227 -0.031 6.167 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.039 1.731 4.143 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.218 2.091 5.388 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.251 2.260 7.843 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.907 2.649 4.306 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.536 3.474 9.114 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.189 3.864 5.576 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.498 4.271 7.988 1.00 0.00 H new ATOM 711 N PHE A 48 -6.242 -1.995 4.380 1.00 0.00 N ATOM 712 CA PHE A 48 -6.336 -2.895 3.232 1.00 0.00 C ATOM 713 C PHE A 48 -6.865 -4.263 3.654 1.00 0.00 C ATOM 714 O PHE A 48 -7.532 -4.390 4.682 1.00 0.00 O ATOM 715 CB PHE A 48 -4.971 -3.034 2.550 1.00 0.00 C ATOM 716 CG PHE A 48 -4.505 -1.759 1.902 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.208 -1.208 0.846 1.00 0.00 C ATOM 718 CD2 PHE A 48 -3.372 -1.110 2.358 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.788 -0.034 0.253 1.00 0.00 C ATOM 720 CE2 PHE A 48 -2.947 0.067 1.771 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.655 0.605 0.717 1.00 0.00 C ATOM 0 H PHE A 48 -5.983 -2.454 5.253 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.040 -2.466 2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.233 -3.351 3.287 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.026 -3.819 1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.096 -1.702 0.481 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.813 -1.528 3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.345 0.384 -0.573 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.061 0.565 2.137 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.324 1.524 0.256 1.00 0.00 H new ATOM 731 N LEU A 49 -6.569 -5.280 2.847 1.00 0.00 N ATOM 732 CA LEU A 49 -7.017 -6.646 3.119 1.00 0.00 C ATOM 733 C LEU A 49 -6.783 -7.044 4.576 1.00 0.00 C ATOM 734 O LEU A 49 -5.644 -7.233 4.999 1.00 0.00 O ATOM 735 CB LEU A 49 -6.299 -7.637 2.195 1.00 0.00 C ATOM 736 CG LEU A 49 -4.975 -7.149 1.593 1.00 0.00 C ATOM 737 CD1 LEU A 49 -3.996 -6.731 2.679 1.00 0.00 C ATOM 738 CD2 LEU A 49 -4.362 -8.235 0.726 1.00 0.00 C ATOM 0 H LEU A 49 -6.018 -5.183 1.994 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.090 -6.677 2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.106 -8.552 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.973 -7.898 1.379 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.187 -6.276 0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.068 -6.390 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.429 -5.922 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.789 -7.581 3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.423 -7.877 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.173 -9.121 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.049 -8.487 -0.081 1.00 0.00 H new ATOM 750 N ARG A 50 -7.875 -7.186 5.329 1.00 0.00 N ATOM 751 CA ARG A 50 -7.809 -7.577 6.739 1.00 0.00 C ATOM 752 C ARG A 50 -6.735 -6.797 7.492 1.00 0.00 C ATOM 753 O ARG A 50 -5.553 -7.142 7.453 1.00 0.00 O ATOM 754 CB ARG A 50 -7.548 -9.078 6.860 1.00 0.00 C ATOM 755 CG ARG A 50 -8.637 -9.828 7.609 1.00 0.00 C ATOM 756 CD ARG A 50 -8.377 -11.325 7.615 1.00 0.00 C ATOM 757 NE ARG A 50 -9.050 -11.997 8.725 1.00 0.00 N ATOM 758 CZ ARG A 50 -8.971 -13.305 8.950 1.00 0.00 C ATOM 759 NH1 ARG A 50 -8.251 -14.079 8.147 1.00 0.00 N ATOM 760 NH2 ARG A 50 -9.613 -13.842 9.979 1.00 0.00 N ATOM 0 H ARG A 50 -8.823 -7.035 4.983 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.772 -7.340 7.192 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -7.448 -9.502 5.861 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.597 -9.233 7.369 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.693 -9.463 8.635 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.603 -9.627 7.146 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.716 -11.755 6.673 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.304 -11.506 7.680 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.611 -11.431 9.362 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.756 -13.671 7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.193 -15.082 8.323 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.168 -13.251 10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.552 -14.846 10.151 1.00 0.00 H new ATOM 774 N SER A 51 -7.157 -5.743 8.176 1.00 0.00 N ATOM 775 CA SER A 51 -6.243 -4.900 8.937 1.00 0.00 C ATOM 776 C SER A 51 -5.782 -5.572 10.227 1.00 0.00 C ATOM 777 O SER A 51 -4.967 -5.016 10.963 1.00 0.00 O ATOM 778 CB SER A 51 -6.921 -3.573 9.271 1.00 0.00 C ATOM 779 OG SER A 51 -7.806 -3.715 10.370 1.00 0.00 O ATOM 0 H SER A 51 -8.133 -5.449 8.220 1.00 0.00 H new ATOM 0 HA SER A 51 -5.363 -4.729 8.317 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.165 -2.823 9.503 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.471 -3.213 8.401 1.00 0.00 H new ATOM 0 HG SER A 51 -8.226 -2.851 10.565 1.00 0.00 H new ATOM 785 N ASP A 52 -6.322 -6.751 10.517 1.00 0.00 N ATOM 786 CA ASP A 52 -5.969 -7.456 11.745 1.00 0.00 C ATOM 787 C ASP A 52 -4.784 -8.406 11.565 1.00 0.00 C ATOM 788 O ASP A 52 -3.693 -8.150 12.077 1.00 0.00 O ATOM 789 CB ASP A 52 -7.179 -8.237 12.261 1.00 0.00 C ATOM 790 CG ASP A 52 -7.765 -7.628 13.520 1.00 0.00 C ATOM 791 OD1 ASP A 52 -7.906 -6.388 13.569 1.00 0.00 O ATOM 792 OD2 ASP A 52 -8.082 -8.392 14.456 1.00 0.00 O ATOM 0 H ASP A 52 -6.998 -7.235 9.926 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.668 -6.700 12.470 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.945 -8.270 11.486 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.885 -9.267 12.462 1.00 0.00 H new ATOM 797 N SER A 53 -5.009 -9.517 10.867 1.00 0.00 N ATOM 798 CA SER A 53 -3.961 -10.518 10.660 1.00 0.00 C ATOM 799 C SER A 53 -3.197 -10.322 9.351 1.00 0.00 C ATOM 800 O SER A 53 -1.973 -10.196 9.354 1.00 0.00 O ATOM 801 CB SER A 53 -4.567 -11.920 10.697 1.00 0.00 C ATOM 802 OG SER A 53 -5.575 -12.066 9.711 1.00 0.00 O ATOM 0 H SER A 53 -5.904 -9.748 10.436 1.00 0.00 H new ATOM 0 HA SER A 53 -3.243 -10.394 11.470 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.785 -12.662 10.535 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.989 -12.112 11.684 1.00 0.00 H new ATOM 0 HG SER A 53 -5.946 -12.972 9.754 1.00 0.00 H new ATOM 808 N ASP A 54 -3.927 -10.346 8.239 1.00 0.00 N ATOM 809 CA ASP A 54 -3.339 -10.218 6.904 1.00 0.00 C ATOM 810 C ASP A 54 -2.202 -9.200 6.832 1.00 0.00 C ATOM 811 O ASP A 54 -1.297 -9.344 6.012 1.00 0.00 O ATOM 812 CB ASP A 54 -4.419 -9.848 5.887 1.00 0.00 C ATOM 813 CG ASP A 54 -5.007 -11.064 5.200 1.00 0.00 C ATOM 814 OD1 ASP A 54 -5.701 -11.851 5.878 1.00 0.00 O ATOM 815 OD2 ASP A 54 -4.774 -11.230 3.983 1.00 0.00 O ATOM 0 H ASP A 54 -4.941 -10.454 8.235 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.908 -11.191 6.668 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.215 -9.298 6.390 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.995 -9.180 5.137 1.00 0.00 H new ATOM 820 N VAL A 55 -2.245 -8.169 7.667 1.00 0.00 N ATOM 821 CA VAL A 55 -1.200 -7.152 7.647 1.00 0.00 C ATOM 822 C VAL A 55 0.109 -7.676 8.239 1.00 0.00 C ATOM 823 O VAL A 55 1.183 -7.434 7.695 1.00 0.00 O ATOM 824 CB VAL A 55 -1.630 -5.869 8.391 1.00 0.00 C ATOM 825 CG1 VAL A 55 -3.005 -5.423 7.930 1.00 0.00 C ATOM 826 CG2 VAL A 55 -1.609 -6.076 9.895 1.00 0.00 C ATOM 0 H VAL A 55 -2.980 -8.015 8.357 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.035 -6.904 6.599 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.913 -5.083 8.152 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.292 -4.518 8.465 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.982 -5.220 6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.730 -6.210 8.134 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.916 -5.156 10.393 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.296 -6.880 10.161 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.600 -6.341 10.212 1.00 0.00 H new ATOM 836 N VAL A 56 0.018 -8.391 9.354 1.00 0.00 N ATOM 837 CA VAL A 56 1.203 -8.933 10.009 1.00 0.00 C ATOM 838 C VAL A 56 1.851 -10.035 9.173 1.00 0.00 C ATOM 839 O VAL A 56 3.042 -10.311 9.315 1.00 0.00 O ATOM 840 CB VAL A 56 0.868 -9.497 11.404 1.00 0.00 C ATOM 841 CG1 VAL A 56 2.137 -9.674 12.226 1.00 0.00 C ATOM 842 CG2 VAL A 56 -0.122 -8.593 12.124 1.00 0.00 C ATOM 0 H VAL A 56 -0.861 -8.609 9.823 1.00 0.00 H new ATOM 0 HA VAL A 56 1.904 -8.105 10.115 1.00 0.00 H new ATOM 0 HB VAL A 56 0.404 -10.475 11.279 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.882 -10.073 13.208 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.807 -10.366 11.716 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.632 -8.710 12.344 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.346 -9.008 13.107 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.310 -7.599 12.240 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.041 -8.523 11.542 1.00 0.00 H new ATOM 852 N GLU A 57 1.061 -10.664 8.309 1.00 0.00 N ATOM 853 CA GLU A 57 1.568 -11.742 7.461 1.00 0.00 C ATOM 854 C GLU A 57 2.110 -11.211 6.137 1.00 0.00 C ATOM 855 O GLU A 57 3.198 -11.590 5.705 1.00 0.00 O ATOM 856 CB GLU A 57 0.472 -12.776 7.191 1.00 0.00 C ATOM 857 CG GLU A 57 -0.744 -12.632 8.090 1.00 0.00 C ATOM 858 CD GLU A 57 -1.119 -13.931 8.778 1.00 0.00 C ATOM 859 OE1 GLU A 57 -1.180 -14.971 8.089 1.00 0.00 O ATOM 860 OE2 GLU A 57 -1.352 -13.907 10.004 1.00 0.00 O ATOM 0 H GLU A 57 0.073 -10.449 8.176 1.00 0.00 H new ATOM 0 HA GLU A 57 2.388 -12.217 7.999 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.155 -12.692 6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.889 -13.775 7.318 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.545 -11.870 8.844 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.589 -12.282 7.498 1.00 0.00 H new ATOM 867 N ALA A 58 1.338 -10.347 5.491 1.00 0.00 N ATOM 868 CA ALA A 58 1.732 -9.775 4.204 1.00 0.00 C ATOM 869 C ALA A 58 2.971 -8.892 4.330 1.00 0.00 C ATOM 870 O ALA A 58 3.840 -8.903 3.458 1.00 0.00 O ATOM 871 CB ALA A 58 0.580 -8.980 3.608 1.00 0.00 C ATOM 0 H ALA A 58 0.434 -10.025 5.835 1.00 0.00 H new ATOM 0 HA ALA A 58 1.982 -10.602 3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.886 -8.559 2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.277 -9.637 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.305 -8.173 4.287 1.00 0.00 H new ATOM 877 N LEU A 59 3.040 -8.121 5.409 1.00 0.00 N ATOM 878 CA LEU A 59 4.170 -7.221 5.637 1.00 0.00 C ATOM 879 C LEU A 59 5.449 -7.992 5.950 1.00 0.00 C ATOM 880 O LEU A 59 6.506 -7.389 6.141 1.00 0.00 O ATOM 881 CB LEU A 59 3.860 -6.244 6.772 1.00 0.00 C ATOM 882 CG LEU A 59 2.671 -5.316 6.522 1.00 0.00 C ATOM 883 CD1 LEU A 59 2.441 -4.412 7.723 1.00 0.00 C ATOM 884 CD2 LEU A 59 2.886 -4.490 5.261 1.00 0.00 C ATOM 0 H LEU A 59 2.329 -8.099 6.140 1.00 0.00 H new ATOM 0 HA LEU A 59 4.330 -6.660 4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.670 -6.815 7.681 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.744 -5.634 6.957 1.00 0.00 H new ATOM 0 HG LEU A 59 1.782 -5.930 6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.591 -3.758 7.529 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.236 -5.021 8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.331 -3.808 7.899 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.028 -3.837 5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.786 -3.885 5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.998 -5.155 4.405 1.00 0.00 H new ATOM 896 N SER A 60 5.353 -9.319 6.008 1.00 0.00 N ATOM 897 CA SER A 60 6.515 -10.156 6.298 1.00 0.00 C ATOM 898 C SER A 60 7.567 -10.019 5.191 1.00 0.00 C ATOM 899 O SER A 60 7.831 -8.918 4.711 1.00 0.00 O ATOM 900 CB SER A 60 6.091 -11.618 6.457 1.00 0.00 C ATOM 901 OG SER A 60 5.774 -12.198 5.204 1.00 0.00 O ATOM 0 H SER A 60 4.486 -9.836 5.859 1.00 0.00 H new ATOM 0 HA SER A 60 6.958 -9.820 7.235 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.894 -12.183 6.930 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.227 -11.679 7.118 1.00 0.00 H new ATOM 0 HG SER A 60 4.810 -12.126 5.045 1.00 0.00 H new ATOM 907 N GLU A 61 8.168 -11.136 4.787 1.00 0.00 N ATOM 908 CA GLU A 61 9.185 -11.115 3.740 1.00 0.00 C ATOM 909 C GLU A 61 8.558 -10.898 2.363 1.00 0.00 C ATOM 910 O GLU A 61 9.149 -11.261 1.345 1.00 0.00 O ATOM 911 CB GLU A 61 9.985 -12.418 3.751 1.00 0.00 C ATOM 912 CG GLU A 61 11.258 -12.340 4.578 1.00 0.00 C ATOM 913 CD GLU A 61 11.961 -13.678 4.697 1.00 0.00 C ATOM 914 OE1 GLU A 61 11.602 -14.457 5.605 1.00 0.00 O ATOM 915 OE2 GLU A 61 12.871 -13.945 3.884 1.00 0.00 O ATOM 0 H GLU A 61 7.969 -12.062 5.167 1.00 0.00 H new ATOM 0 HA GLU A 61 9.857 -10.281 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.356 -13.218 4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.243 -12.686 2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.936 -11.617 4.126 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.017 -11.971 5.575 1.00 0.00 H new ATOM 922 N GLU A 62 7.356 -10.310 2.352 1.00 0.00 N ATOM 923 CA GLU A 62 6.613 -10.030 1.123 1.00 0.00 C ATOM 924 C GLU A 62 5.842 -11.259 0.656 1.00 0.00 C ATOM 925 O GLU A 62 5.738 -12.245 1.386 1.00 0.00 O ATOM 926 CB GLU A 62 7.537 -9.518 0.017 1.00 0.00 C ATOM 927 CG GLU A 62 7.233 -8.091 -0.408 1.00 0.00 C ATOM 928 CD GLU A 62 8.472 -7.219 -0.460 1.00 0.00 C ATOM 929 OE1 GLU A 62 9.217 -7.303 -1.461 1.00 0.00 O ATOM 930 OE2 GLU A 62 8.701 -6.453 0.499 1.00 0.00 O ATOM 0 H GLU A 62 6.872 -10.015 3.200 1.00 0.00 H new ATOM 0 HA GLU A 62 5.893 -9.243 1.348 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.570 -9.575 0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.453 -10.174 -0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.760 -8.102 -1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.515 -7.654 0.287 1.00 0.00 H new ATOM 937 N HIS A 63 5.290 -11.179 -0.560 1.00 0.00 N ATOM 938 CA HIS A 63 4.500 -12.270 -1.138 1.00 0.00 C ATOM 939 C HIS A 63 3.689 -12.986 -0.057 1.00 0.00 C ATOM 940 O HIS A 63 2.709 -12.442 0.454 1.00 0.00 O ATOM 941 CB HIS A 63 5.389 -13.263 -1.906 1.00 0.00 C ATOM 942 CG HIS A 63 6.737 -13.504 -1.292 1.00 0.00 C ATOM 943 ND1 HIS A 63 7.136 -14.386 -0.343 1.00 0.00 N flip ATOM 944 CD2 HIS A 63 7.866 -12.801 -1.658 1.00 0.00 C flip ATOM 945 CE1 HIS A 63 8.484 -14.202 -0.159 1.00 0.00 C flip ATOM 946 NE2 HIS A 63 8.900 -13.241 -0.963 1.00 0.00 N flip ATOM 0 H HIS A 63 5.377 -10.363 -1.166 1.00 0.00 H new ATOM 0 HA HIS A 63 3.804 -11.831 -1.853 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.864 -14.215 -1.982 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.529 -12.894 -2.922 1.00 0.00 H new ATOM 0 HD2 HIS A 63 7.900 -12.014 -2.397 1.00 0.00 H new ATOM 0 HE1 HIS A 63 9.104 -14.754 0.532 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.857 -12.897 -1.035 1.00 0.00 H new ATOM 955 N MET A 64 4.107 -14.196 0.299 1.00 0.00 N ATOM 956 CA MET A 64 3.425 -14.968 1.330 1.00 0.00 C ATOM 957 C MET A 64 4.247 -14.970 2.617 1.00 0.00 C ATOM 958 O MET A 64 5.460 -14.766 2.585 1.00 0.00 O ATOM 959 CB MET A 64 3.189 -16.400 0.854 1.00 0.00 C ATOM 960 CG MET A 64 2.862 -16.500 -0.628 1.00 0.00 C ATOM 961 SD MET A 64 1.269 -15.763 -1.038 1.00 0.00 S ATOM 962 CE MET A 64 1.687 -14.862 -2.528 1.00 0.00 C ATOM 0 H MET A 64 4.915 -14.663 -0.112 1.00 0.00 H new ATOM 0 HA MET A 64 2.459 -14.504 1.530 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.078 -16.995 1.063 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.372 -16.836 1.429 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.645 -16.006 -1.203 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.860 -17.548 -0.926 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.792 -14.730 -3.136 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.092 -13.886 -2.261 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.432 -15.421 -3.095 1.00 0.00 H new ATOM 972 N GLU A 65 3.582 -15.195 3.744 1.00 0.00 N ATOM 973 CA GLU A 65 4.260 -15.215 5.037 1.00 0.00 C ATOM 974 C GLU A 65 4.964 -16.549 5.269 1.00 0.00 C ATOM 975 O GLU A 65 5.315 -16.885 6.401 1.00 0.00 O ATOM 976 CB GLU A 65 3.264 -14.944 6.165 1.00 0.00 C ATOM 977 CG GLU A 65 2.059 -15.870 6.147 1.00 0.00 C ATOM 978 CD GLU A 65 2.256 -17.100 7.011 1.00 0.00 C ATOM 979 OE1 GLU A 65 2.553 -16.939 8.213 1.00 0.00 O ATOM 980 OE2 GLU A 65 2.113 -18.225 6.485 1.00 0.00 O ATOM 0 H GLU A 65 2.577 -15.366 3.790 1.00 0.00 H new ATOM 0 HA GLU A 65 5.014 -14.428 5.032 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.775 -15.045 7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.920 -13.912 6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.181 -15.324 6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.858 -16.179 5.121 1.00 0.00 H new ATOM 987 N ALA A 66 5.165 -17.306 4.194 1.00 0.00 N ATOM 988 CA ALA A 66 5.828 -18.604 4.290 1.00 0.00 C ATOM 989 C ALA A 66 6.293 -19.088 2.919 1.00 0.00 C ATOM 990 O ALA A 66 6.707 -20.238 2.767 1.00 0.00 O ATOM 991 CB ALA A 66 4.899 -19.626 4.926 1.00 0.00 C ATOM 0 H ALA A 66 4.880 -17.045 3.250 1.00 0.00 H new ATOM 0 HA ALA A 66 6.708 -18.488 4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.407 -20.588 4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.622 -19.293 5.926 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.001 -19.730 4.317 1.00 0.00 H new ATOM 997 N ASP A 67 6.220 -18.206 1.926 1.00 0.00 N ATOM 998 CA ASP A 67 6.630 -18.542 0.565 1.00 0.00 C ATOM 999 C ASP A 67 5.887 -19.775 0.064 1.00 0.00 C ATOM 1000 O ASP A 67 6.393 -20.895 0.143 1.00 0.00 O ATOM 1001 CB ASP A 67 8.141 -18.777 0.503 1.00 0.00 C ATOM 1002 CG ASP A 67 8.689 -18.661 -0.907 1.00 0.00 C ATOM 1003 OD1 ASP A 67 7.965 -18.146 -1.786 1.00 0.00 O ATOM 1004 OD2 ASP A 67 9.841 -19.086 -1.132 1.00 0.00 O ATOM 0 H ASP A 67 5.880 -17.251 2.038 1.00 0.00 H new ATOM 0 HA ASP A 67 6.378 -17.701 -0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.645 -18.055 1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.368 -19.767 0.897 1.00 0.00 H new ATOM 1009 N GLY A 68 4.679 -19.560 -0.446 1.00 0.00 N ATOM 1010 CA GLY A 68 3.875 -20.659 -0.948 1.00 0.00 C ATOM 1011 C GLY A 68 2.478 -20.652 -0.365 1.00 0.00 C ATOM 1012 O GLY A 68 2.031 -21.644 0.212 1.00 0.00 O ATOM 0 H GLY A 68 4.241 -18.642 -0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.815 -20.597 -2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.363 -21.604 -0.709 1.00 0.00 H new ATOM 1016 N HIS A 69 1.790 -19.525 -0.510 1.00 0.00 N ATOM 1017 CA HIS A 69 0.437 -19.378 0.010 1.00 0.00 C ATOM 1018 C HIS A 69 -0.460 -18.671 -1.000 1.00 0.00 C ATOM 1019 O HIS A 69 -0.091 -18.504 -2.163 1.00 0.00 O ATOM 1020 CB HIS A 69 0.458 -18.595 1.326 1.00 0.00 C ATOM 1021 CG HIS A 69 0.560 -19.466 2.540 1.00 0.00 C ATOM 1022 ND1 HIS A 69 1.531 -19.570 3.479 1.00 0.00 N flip ATOM 1023 CD2 HIS A 69 -0.419 -20.367 2.903 1.00 0.00 C flip ATOM 1024 CE1 HIS A 69 1.124 -20.523 4.381 1.00 0.00 C flip ATOM 1025 NE2 HIS A 69 -0.055 -20.987 4.011 1.00 0.00 N flip ATOM 0 H HIS A 69 2.149 -18.697 -0.985 1.00 0.00 H new ATOM 0 HA HIS A 69 0.034 -20.374 0.192 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.300 -17.903 1.314 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -0.448 -17.993 1.396 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -1.340 -20.539 2.365 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.679 -20.841 5.251 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -0.594 -21.703 4.498 1.00 0.00 H new ATOM 1034 N ALA A 70 -1.639 -18.257 -0.547 1.00 0.00 N ATOM 1035 CA ALA A 70 -2.592 -17.565 -1.408 1.00 0.00 C ATOM 1036 C ALA A 70 -3.700 -16.916 -0.585 1.00 0.00 C ATOM 1037 O ALA A 70 -4.810 -16.705 -1.075 1.00 0.00 O ATOM 1038 CB ALA A 70 -3.182 -18.530 -2.425 1.00 0.00 C ATOM 0 H ALA A 70 -1.958 -18.389 0.413 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.060 -16.777 -1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.891 -18.000 -3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.383 -18.944 -3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.695 -19.338 -1.904 1.00 0.00 H new ATOM 1044 N ALA A 71 -3.390 -16.602 0.669 1.00 0.00 N ATOM 1045 CA ALA A 71 -4.360 -15.977 1.563 1.00 0.00 C ATOM 1046 C ALA A 71 -3.839 -14.649 2.102 1.00 0.00 C ATOM 1047 O ALA A 71 -4.621 -13.784 2.501 1.00 0.00 O ATOM 1048 CB ALA A 71 -4.699 -16.917 2.710 1.00 0.00 C ATOM 0 H ALA A 71 -2.476 -16.770 1.089 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.265 -15.774 0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.423 -16.439 3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.123 -17.839 2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.794 -17.147 3.271 1.00 0.00 H new ATOM 1054 N VAL A 72 -2.519 -14.489 2.113 1.00 0.00 N ATOM 1055 CA VAL A 72 -1.904 -13.263 2.605 1.00 0.00 C ATOM 1056 C VAL A 72 -0.889 -12.711 1.612 1.00 0.00 C ATOM 1057 O VAL A 72 0.302 -13.018 1.686 1.00 0.00 O ATOM 1058 CB VAL A 72 -1.214 -13.482 3.963 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.232 -13.395 5.087 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -0.490 -14.822 3.991 1.00 0.00 C ATOM 0 H VAL A 72 -1.856 -15.193 1.787 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.710 -12.540 2.730 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.471 -12.697 4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.733 -13.552 6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.700 -12.411 5.079 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.995 -14.160 4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.010 -14.956 4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.207 -15.626 3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.265 -14.844 3.205 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.370 -11.894 0.684 1.00 0.00 N ATOM 1071 CA VAL A 73 -0.510 -11.293 -0.327 1.00 0.00 C ATOM 1072 C VAL A 73 -0.878 -9.829 -0.559 1.00 0.00 C ATOM 1073 O VAL A 73 -2.035 -9.504 -0.828 1.00 0.00 O ATOM 1074 CB VAL A 73 -0.591 -12.060 -1.661 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -2.036 -12.187 -2.127 1.00 0.00 C ATOM 1076 CG2 VAL A 73 0.261 -11.384 -2.726 1.00 0.00 C ATOM 0 H VAL A 73 -2.353 -11.632 0.611 1.00 0.00 H new ATOM 0 HA VAL A 73 0.512 -11.349 0.047 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.198 -13.064 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.067 -12.732 -3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.614 -12.727 -1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.462 -11.193 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.188 -11.943 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.095 -10.366 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.300 -11.358 -2.398 1.00 0.00 H new ATOM 1086 N PHE A 74 0.114 -8.949 -0.459 1.00 0.00 N ATOM 1087 CA PHE A 74 -0.108 -7.523 -0.665 1.00 0.00 C ATOM 1088 C PHE A 74 0.738 -7.011 -1.832 1.00 0.00 C ATOM 1089 O PHE A 74 1.171 -5.859 -1.852 1.00 0.00 O ATOM 1090 CB PHE A 74 0.206 -6.744 0.617 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.284 -5.322 0.599 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -1.637 -5.030 0.464 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.615 -4.275 0.710 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -2.073 -3.720 0.441 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.180 -2.966 0.686 1.00 0.00 C ATOM 1096 CZ PHE A 74 -1.163 -2.688 0.551 1.00 0.00 C ATOM 0 H PHE A 74 1.078 -9.199 -0.237 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.158 -7.367 -0.913 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.242 -7.262 1.465 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.284 -6.745 0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.352 -5.834 0.376 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.669 -4.485 0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.126 -3.503 0.337 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.892 -2.159 0.773 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.503 -1.663 0.531 1.00 0.00 H new ATOM 1106 N GLY A 75 0.954 -7.883 -2.812 1.00 0.00 N ATOM 1107 CA GLY A 75 1.729 -7.523 -3.987 1.00 0.00 C ATOM 1108 C GLY A 75 1.036 -7.978 -5.256 1.00 0.00 C ATOM 1109 O GLY A 75 1.670 -8.182 -6.291 1.00 0.00 O ATOM 0 H GLY A 75 0.603 -8.841 -2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.873 -6.443 -4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.719 -7.976 -3.927 1.00 0.00 H new ATOM 1113 N THR A 76 -0.276 -8.140 -5.150 1.00 0.00 N ATOM 1114 CA THR A 76 -1.110 -8.576 -6.260 1.00 0.00 C ATOM 1115 C THR A 76 -2.498 -7.958 -6.151 1.00 0.00 C ATOM 1116 O THR A 76 -2.851 -7.400 -5.112 1.00 0.00 O ATOM 1117 CB THR A 76 -1.242 -10.111 -6.297 1.00 0.00 C ATOM 1118 OG1 THR A 76 -0.069 -10.719 -5.746 1.00 0.00 O ATOM 1119 CG2 THR A 76 -1.451 -10.599 -7.723 1.00 0.00 C ATOM 0 H THR A 76 -0.793 -7.972 -4.287 1.00 0.00 H new ATOM 0 HA THR A 76 -0.629 -8.246 -7.180 1.00 0.00 H new ATOM 0 HB THR A 76 -2.109 -10.394 -5.700 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.163 -11.694 -5.772 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.542 -11.685 -7.726 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.361 -10.158 -8.129 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.600 -10.304 -8.337 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.288 -8.057 -7.215 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.635 -7.501 -7.190 1.00 0.00 C ATOM 1129 C VAL A 77 -5.464 -8.231 -6.135 1.00 0.00 C ATOM 1130 O VAL A 77 -5.896 -9.365 -6.338 1.00 0.00 O ATOM 1131 CB VAL A 77 -5.324 -7.610 -8.570 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -5.147 -9.004 -9.155 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -6.800 -7.247 -8.470 1.00 0.00 C ATOM 0 H VAL A 77 -3.025 -8.509 -8.091 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.562 -6.442 -6.941 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.846 -6.898 -9.243 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.640 -9.057 -10.126 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.085 -9.216 -9.276 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.589 -9.739 -8.483 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.263 -7.331 -9.453 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.296 -7.926 -7.776 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.899 -6.223 -8.109 1.00 0.00 H new ATOM 1143 N VAL A 78 -5.650 -7.577 -4.990 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.391 -8.163 -3.879 1.00 0.00 C ATOM 1145 C VAL A 78 -7.613 -7.337 -3.503 1.00 0.00 C ATOM 1146 O VAL A 78 -7.909 -6.317 -4.124 1.00 0.00 O ATOM 1147 CB VAL A 78 -5.495 -8.271 -2.631 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -4.370 -9.261 -2.858 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -4.944 -6.904 -2.259 1.00 0.00 C ATOM 0 H VAL A 78 -5.296 -6.638 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.715 -9.149 -4.212 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.101 -8.637 -1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.751 -9.320 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.788 -10.244 -3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.760 -8.932 -3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.312 -6.994 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.355 -6.511 -3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.769 -6.224 -2.047 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.299 -7.781 -2.454 1.00 0.00 N ATOM 1160 CA ASP A 79 -9.473 -7.087 -1.947 1.00 0.00 C ATOM 1161 C ASP A 79 -9.090 -6.284 -0.710 1.00 0.00 C ATOM 1162 O ASP A 79 -8.692 -6.848 0.309 1.00 0.00 O ATOM 1163 CB ASP A 79 -10.582 -8.083 -1.602 1.00 0.00 C ATOM 1164 CG ASP A 79 -11.702 -8.074 -2.624 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -12.424 -7.058 -2.705 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -11.857 -9.084 -3.342 1.00 0.00 O ATOM 0 H ASP A 79 -8.057 -8.626 -1.936 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.846 -6.414 -2.719 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.160 -9.086 -1.538 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.988 -7.845 -0.619 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.191 -4.965 -0.809 1.00 0.00 N ATOM 1172 CA ILE A 80 -8.833 -4.090 0.298 1.00 0.00 C ATOM 1173 C ILE A 80 -10.064 -3.449 0.930 1.00 0.00 C ATOM 1174 O ILE A 80 -11.174 -3.569 0.411 1.00 0.00 O ATOM 1175 CB ILE A 80 -7.866 -2.986 -0.166 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.618 -1.886 -0.921 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -6.771 -3.580 -1.040 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -8.562 -0.538 -0.239 1.00 0.00 C ATOM 0 H ILE A 80 -9.518 -4.479 -1.644 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.341 -4.711 1.047 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.406 -2.538 0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.200 -1.794 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.660 -2.183 -1.036 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.093 -2.789 -1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.215 -4.325 -0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.219 -4.052 -1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.116 0.192 -0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.006 -0.614 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.524 -0.219 -0.148 1.00 0.00 H new ATOM 1190 N ILE A 81 -9.855 -2.761 2.046 1.00 0.00 N ATOM 1191 CA ILE A 81 -10.940 -2.087 2.751 1.00 0.00 C ATOM 1192 C ILE A 81 -10.443 -0.802 3.403 1.00 0.00 C ATOM 1193 O ILE A 81 -9.290 -0.719 3.824 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.571 -2.989 3.829 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -10.579 -4.060 4.291 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.843 -3.633 3.301 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -10.728 -4.426 5.749 1.00 0.00 C ATOM 0 H ILE A 81 -8.940 -2.655 2.484 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.702 -1.851 2.008 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.826 -2.369 4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.713 -4.955 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.564 -3.705 4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -13.277 -4.267 4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -13.557 -2.857 3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -12.608 -4.238 2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.995 -5.190 6.009 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.565 -3.541 6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -11.732 -4.812 5.927 1.00 0.00 H new ATOM 1209 N SER A 82 -11.312 0.202 3.475 1.00 0.00 N ATOM 1210 CA SER A 82 -10.945 1.482 4.070 1.00 0.00 C ATOM 1211 C SER A 82 -11.378 1.563 5.530 1.00 0.00 C ATOM 1212 O SER A 82 -12.097 0.696 6.027 1.00 0.00 O ATOM 1213 CB SER A 82 -11.568 2.633 3.276 1.00 0.00 C ATOM 1214 OG SER A 82 -12.600 3.266 4.013 1.00 0.00 O ATOM 0 H SER A 82 -12.271 0.154 3.130 1.00 0.00 H new ATOM 0 HA SER A 82 -9.859 1.566 4.035 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.798 3.362 3.024 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.969 2.254 2.336 1.00 0.00 H new ATOM 0 HG SER A 82 -12.979 3.998 3.483 1.00 0.00 H new ATOM 1220 N ARG A 83 -10.913 2.607 6.210 1.00 0.00 N ATOM 1221 CA ARG A 83 -11.225 2.823 7.622 1.00 0.00 C ATOM 1222 C ARG A 83 -12.716 2.641 7.921 1.00 0.00 C ATOM 1223 O ARG A 83 -13.087 2.241 9.025 1.00 0.00 O ATOM 1224 CB ARG A 83 -10.786 4.228 8.043 1.00 0.00 C ATOM 1225 CG ARG A 83 -11.759 5.320 7.623 1.00 0.00 C ATOM 1226 CD ARG A 83 -11.047 6.633 7.347 1.00 0.00 C ATOM 1227 NE ARG A 83 -11.504 7.699 8.234 1.00 0.00 N ATOM 1228 CZ ARG A 83 -11.010 7.911 9.451 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -10.044 7.135 9.923 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -11.483 8.901 10.196 1.00 0.00 N ATOM 0 H ARG A 83 -10.313 3.324 5.802 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.679 2.072 8.193 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.669 4.254 9.126 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.808 4.439 7.611 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.297 5.003 6.730 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.502 5.467 8.407 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.973 6.496 7.469 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.215 6.926 6.311 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.245 8.317 7.901 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.677 6.373 9.353 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.667 7.300 10.856 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.226 9.500 9.836 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.104 9.063 11.129 1.00 0.00 H new ATOM 1244 N SER A 84 -13.565 2.951 6.944 1.00 0.00 N ATOM 1245 CA SER A 84 -15.011 2.835 7.123 1.00 0.00 C ATOM 1246 C SER A 84 -15.528 1.482 6.643 1.00 0.00 C ATOM 1247 O SER A 84 -16.618 1.055 7.021 1.00 0.00 O ATOM 1248 CB SER A 84 -15.728 3.961 6.377 1.00 0.00 C ATOM 1249 OG SER A 84 -17.066 3.601 6.073 1.00 0.00 O ATOM 0 H SER A 84 -13.279 3.283 6.023 1.00 0.00 H new ATOM 0 HA SER A 84 -15.220 2.917 8.190 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.721 4.866 6.984 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.192 4.191 5.456 1.00 0.00 H new ATOM 0 HG SER A 84 -17.503 4.338 5.598 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.742 0.815 5.802 1.00 0.00 N ATOM 1256 CA GLY A 85 -15.145 -0.478 5.281 1.00 0.00 C ATOM 1257 C GLY A 85 -15.611 -0.392 3.847 1.00 0.00 C ATOM 1258 O GLY A 85 -16.746 0.002 3.578 1.00 0.00 O ATOM 0 H GLY A 85 -13.835 1.147 5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.308 -1.173 5.349 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.946 -0.884 5.899 1.00 0.00 H new ATOM 1262 N GLU A 86 -14.732 -0.754 2.919 1.00 0.00 N ATOM 1263 CA GLU A 86 -15.064 -0.709 1.503 1.00 0.00 C ATOM 1264 C GLU A 86 -14.457 -1.894 0.761 1.00 0.00 C ATOM 1265 O GLU A 86 -13.368 -1.793 0.195 1.00 0.00 O ATOM 1266 CB GLU A 86 -14.571 0.601 0.885 1.00 0.00 C ATOM 1267 CG GLU A 86 -14.873 1.833 1.723 1.00 0.00 C ATOM 1268 CD GLU A 86 -15.984 2.681 1.132 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -16.976 2.102 0.642 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -15.860 3.923 1.162 1.00 0.00 O ATOM 0 H GLU A 86 -13.787 -1.081 3.123 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.149 -0.764 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.494 0.535 0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.028 0.722 -0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.153 1.524 2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.970 2.436 1.815 1.00 0.00 H new ATOM 1277 N LYS A 87 -15.171 -3.015 0.763 1.00 0.00 N ATOM 1278 CA LYS A 87 -14.707 -4.217 0.085 1.00 0.00 C ATOM 1279 C LYS A 87 -14.769 -4.036 -1.428 1.00 0.00 C ATOM 1280 O LYS A 87 -15.846 -4.065 -2.024 1.00 0.00 O ATOM 1281 CB LYS A 87 -15.552 -5.422 0.504 1.00 0.00 C ATOM 1282 CG LYS A 87 -14.927 -6.247 1.616 1.00 0.00 C ATOM 1283 CD LYS A 87 -15.444 -5.824 2.981 1.00 0.00 C ATOM 1284 CE LYS A 87 -16.856 -6.334 3.226 1.00 0.00 C ATOM 1285 NZ LYS A 87 -16.911 -7.823 3.273 1.00 0.00 N ATOM 0 H LYS A 87 -16.074 -3.115 1.227 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.671 -4.395 0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.532 -5.072 0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.714 -6.061 -0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.145 -7.303 1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.843 -6.138 1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.779 -6.204 3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.431 -4.737 3.055 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.231 -5.927 4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.515 -5.971 2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.778 -8.123 3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.912 -8.201 2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.081 -8.185 3.785 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.605 -3.843 -2.043 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.525 -3.650 -3.487 1.00 0.00 C ATOM 1301 C ILE A 88 -12.217 -4.199 -4.052 1.00 0.00 C ATOM 1302 O ILE A 88 -11.153 -4.019 -3.458 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.646 -2.160 -3.865 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -12.846 -1.296 -2.888 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -15.105 -1.728 -3.891 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -11.803 -0.430 -3.559 1.00 0.00 C ATOM 0 H ILE A 88 -12.705 -3.816 -1.564 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.361 -4.199 -3.920 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.234 -2.024 -4.865 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.534 -0.658 -2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.356 -1.943 -2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -15.167 -0.674 -4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -15.647 -2.323 -4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.546 -1.878 -2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.276 0.154 -2.805 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.092 -1.063 -4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -12.289 0.243 -4.265 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.280 -4.878 -5.212 1.00 0.00 N ATOM 1319 CA PRO A 89 -11.093 -5.449 -5.856 1.00 0.00 C ATOM 1320 C PRO A 89 -10.178 -4.380 -6.442 1.00 0.00 C ATOM 1321 O PRO A 89 -10.623 -3.500 -7.184 1.00 0.00 O ATOM 1322 CB PRO A 89 -11.677 -6.327 -6.964 1.00 0.00 C ATOM 1323 CG PRO A 89 -13.000 -5.717 -7.279 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.509 -5.137 -5.987 1.00 0.00 C ATOM 0 HA PRO A 89 -10.469 -5.995 -5.149 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.029 -6.340 -7.841 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.787 -7.360 -6.633 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -12.901 -4.944 -8.041 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.691 -6.464 -7.670 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -14.077 -4.222 -6.155 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.170 -5.832 -5.469 1.00 0.00 H new ATOM 1332 N VAL A 90 -8.896 -4.460 -6.105 1.00 0.00 N ATOM 1333 CA VAL A 90 -7.910 -3.502 -6.594 1.00 0.00 C ATOM 1334 C VAL A 90 -6.565 -4.177 -6.832 1.00 0.00 C ATOM 1335 O VAL A 90 -6.296 -5.249 -6.296 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.711 -2.335 -5.606 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -8.413 -1.083 -6.105 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -8.205 -2.714 -4.218 1.00 0.00 C ATOM 0 H VAL A 90 -8.514 -5.181 -5.493 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.296 -3.109 -7.535 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.644 -2.123 -5.540 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.260 -0.272 -5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.003 -0.798 -7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.480 -1.280 -6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.055 -1.876 -3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.266 -2.959 -4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.648 -3.579 -3.857 1.00 0.00 H new ATOM 1348 N SER A 91 -5.725 -3.534 -7.632 1.00 0.00 N ATOM 1349 CA SER A 91 -4.402 -4.066 -7.944 1.00 0.00 C ATOM 1350 C SER A 91 -3.338 -3.439 -7.051 1.00 0.00 C ATOM 1351 O SER A 91 -3.222 -2.216 -6.976 1.00 0.00 O ATOM 1352 CB SER A 91 -4.062 -3.814 -9.413 1.00 0.00 C ATOM 1353 OG SER A 91 -5.215 -3.451 -10.152 1.00 0.00 O ATOM 0 H SER A 91 -5.935 -2.641 -8.078 1.00 0.00 H new ATOM 0 HA SER A 91 -4.418 -5.140 -7.760 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.316 -3.022 -9.486 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.618 -4.711 -9.845 1.00 0.00 H new ATOM 0 HG SER A 91 -5.547 -2.585 -9.836 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.552 -4.281 -6.380 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.493 -3.795 -5.503 1.00 0.00 C ATOM 1361 C VAL A 92 -0.135 -4.328 -5.935 1.00 0.00 C ATOM 1362 O VAL A 92 0.042 -5.531 -6.124 1.00 0.00 O ATOM 1363 CB VAL A 92 -1.734 -4.197 -4.034 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.567 -3.753 -3.158 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -3.044 -3.611 -3.528 1.00 0.00 C ATOM 0 H VAL A 92 -2.630 -5.297 -6.428 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.505 -2.708 -5.581 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.804 -5.283 -3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.756 -4.046 -2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.351 -4.226 -3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.461 -2.670 -3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.197 -3.905 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.006 -2.524 -3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.868 -3.984 -4.136 1.00 0.00 H new ATOM 1375 N TRP A 93 0.827 -3.425 -6.077 1.00 0.00 N ATOM 1376 CA TRP A 93 2.178 -3.806 -6.468 1.00 0.00 C ATOM 1377 C TRP A 93 3.206 -3.012 -5.674 1.00 0.00 C ATOM 1378 O TRP A 93 3.328 -1.798 -5.832 1.00 0.00 O ATOM 1379 CB TRP A 93 2.406 -3.620 -7.976 1.00 0.00 C ATOM 1380 CG TRP A 93 1.395 -2.747 -8.667 1.00 0.00 C ATOM 1381 CD1 TRP A 93 0.062 -3.003 -8.841 1.00 0.00 C ATOM 1382 CD2 TRP A 93 1.647 -1.491 -9.302 1.00 0.00 C ATOM 1383 NE1 TRP A 93 -0.528 -1.972 -9.533 1.00 0.00 N ATOM 1384 CE2 TRP A 93 0.424 -1.033 -9.829 1.00 0.00 C ATOM 1385 CE3 TRP A 93 2.788 -0.704 -9.468 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 0.314 0.173 -10.517 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 2.678 0.493 -10.148 1.00 0.00 C ATOM 1388 CH2 TRP A 93 1.450 0.922 -10.664 1.00 0.00 C ATOM 0 H TRP A 93 0.697 -2.424 -5.927 1.00 0.00 H new ATOM 0 HA TRP A 93 2.299 -4.866 -6.243 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.397 -3.193 -8.129 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.404 -4.600 -8.453 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.451 -3.885 -8.487 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.515 -1.916 -9.785 1.00 0.00 H new ATOM 0 HE3 TRP A 93 3.740 -1.025 -9.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -0.632 0.505 -10.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.555 1.109 -10.284 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.398 1.864 -11.189 1.00 0.00 H new ATOM 1399 N MET A 94 3.936 -3.709 -4.808 1.00 0.00 N ATOM 1400 CA MET A 94 4.945 -3.075 -3.970 1.00 0.00 C ATOM 1401 C MET A 94 6.344 -3.244 -4.547 1.00 0.00 C ATOM 1402 O MET A 94 6.625 -4.204 -5.266 1.00 0.00 O ATOM 1403 CB MET A 94 4.893 -3.657 -2.559 1.00 0.00 C ATOM 1404 CG MET A 94 4.815 -2.601 -1.473 1.00 0.00 C ATOM 1405 SD MET A 94 4.435 -3.305 0.145 1.00 0.00 S ATOM 1406 CE MET A 94 4.434 -1.837 1.169 1.00 0.00 C ATOM 0 H MET A 94 3.846 -4.716 -4.669 1.00 0.00 H new ATOM 0 HA MET A 94 4.724 -2.008 -3.935 1.00 0.00 H new ATOM 0 HB2 MET A 94 4.028 -4.316 -2.478 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.778 -4.271 -2.395 1.00 0.00 H new ATOM 0 HG2 MET A 94 5.764 -2.067 -1.420 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.052 -1.869 -1.736 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.282 -1.870 1.853 1.00 0.00 H new ATOM 0 HE2 MET A 94 4.512 -0.952 0.537 1.00 0.00 H new ATOM 0 HE3 MET A 94 3.507 -1.793 1.741 1.00 0.00 H new ATOM 1416 N LYS A 95 7.220 -2.300 -4.216 1.00 0.00 N ATOM 1417 CA LYS A 95 8.602 -2.325 -4.685 1.00 0.00 C ATOM 1418 C LYS A 95 9.549 -1.800 -3.606 1.00 0.00 C ATOM 1419 O LYS A 95 9.440 -0.651 -3.179 1.00 0.00 O ATOM 1420 CB LYS A 95 8.753 -1.497 -5.961 1.00 0.00 C ATOM 1421 CG LYS A 95 7.802 -0.314 -6.038 1.00 0.00 C ATOM 1422 CD LYS A 95 6.888 -0.411 -7.249 1.00 0.00 C ATOM 1423 CE LYS A 95 7.207 0.668 -8.274 1.00 0.00 C ATOM 1424 NZ LYS A 95 6.996 0.189 -9.669 1.00 0.00 N ATOM 0 H LYS A 95 6.995 -1.503 -3.621 1.00 0.00 H new ATOM 0 HA LYS A 95 8.864 -3.360 -4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.778 -1.133 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.587 -2.142 -6.824 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.201 -0.270 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.375 0.612 -6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.993 -1.394 -7.708 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.850 -0.317 -6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.579 1.540 -8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.242 0.989 -8.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.224 0.953 -10.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.614 -0.627 -9.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.003 -0.094 -9.793 1.00 0.00 H new ATOM 1438 N ARG A 96 10.465 -2.655 -3.162 1.00 0.00 N ATOM 1439 CA ARG A 96 11.424 -2.291 -2.123 1.00 0.00 C ATOM 1440 C ARG A 96 12.641 -1.570 -2.700 1.00 0.00 C ATOM 1441 O ARG A 96 13.763 -1.756 -2.229 1.00 0.00 O ATOM 1442 CB ARG A 96 11.870 -3.540 -1.360 1.00 0.00 C ATOM 1443 CG ARG A 96 12.688 -4.507 -2.199 1.00 0.00 C ATOM 1444 CD ARG A 96 12.169 -5.932 -2.077 1.00 0.00 C ATOM 1445 NE ARG A 96 12.036 -6.352 -0.685 1.00 0.00 N ATOM 1446 CZ ARG A 96 13.032 -6.863 0.034 1.00 0.00 C ATOM 1447 NH1 ARG A 96 14.238 -7.007 -0.502 1.00 0.00 N ATOM 1448 NH2 ARG A 96 12.825 -7.226 1.292 1.00 0.00 N ATOM 0 H ARG A 96 10.564 -3.610 -3.507 1.00 0.00 H new ATOM 0 HA ARG A 96 10.925 -1.604 -1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.459 -3.236 -0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.989 -4.057 -0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.660 -4.197 -3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.731 -4.471 -1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.201 -6.008 -2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.847 -6.610 -2.596 1.00 0.00 H new ATOM 0 HE ARG A 96 11.126 -6.247 -0.237 1.00 0.00 H new ATOM 0 HH11 ARG A 96 14.404 -6.725 -1.468 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.999 -7.399 0.052 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.901 -7.114 1.710 1.00 0.00 H new ATOM 0 HH22 ARG A 96 13.589 -7.618 1.842 1.00 0.00 H new ATOM 1462 N MET A 97 12.418 -0.736 -3.709 1.00 0.00 N ATOM 1463 CA MET A 97 13.508 0.015 -4.325 1.00 0.00 C ATOM 1464 C MET A 97 14.005 1.095 -3.368 1.00 0.00 C ATOM 1465 O MET A 97 13.524 1.198 -2.241 1.00 0.00 O ATOM 1466 CB MET A 97 13.044 0.646 -5.641 1.00 0.00 C ATOM 1467 CG MET A 97 12.158 1.869 -5.456 1.00 0.00 C ATOM 1468 SD MET A 97 11.633 2.589 -7.024 1.00 0.00 S ATOM 1469 CE MET A 97 9.853 2.514 -6.854 1.00 0.00 C ATOM 0 H MET A 97 11.499 -0.563 -4.117 1.00 0.00 H new ATOM 0 HA MET A 97 14.328 -0.670 -4.540 1.00 0.00 H new ATOM 0 HB2 MET A 97 13.919 0.928 -6.226 1.00 0.00 H new ATOM 0 HB3 MET A 97 12.500 -0.101 -6.220 1.00 0.00 H new ATOM 0 HG2 MET A 97 11.278 1.591 -4.875 1.00 0.00 H new ATOM 0 HG3 MET A 97 12.697 2.620 -4.878 1.00 0.00 H new ATOM 0 HE1 MET A 97 9.385 2.973 -7.725 1.00 0.00 H new ATOM 0 HE2 MET A 97 9.538 1.473 -6.779 1.00 0.00 H new ATOM 0 HE3 MET A 97 9.551 3.050 -5.954 1.00 0.00 H new ATOM 1479 N ARG A 98 14.967 1.899 -3.813 1.00 0.00 N ATOM 1480 CA ARG A 98 15.514 2.962 -2.980 1.00 0.00 C ATOM 1481 C ARG A 98 14.992 4.327 -3.420 1.00 0.00 C ATOM 1482 O ARG A 98 14.961 4.633 -4.611 1.00 0.00 O ATOM 1483 CB ARG A 98 17.043 2.948 -3.033 1.00 0.00 C ATOM 1484 CG ARG A 98 17.656 1.626 -2.598 1.00 0.00 C ATOM 1485 CD ARG A 98 18.468 1.780 -1.324 1.00 0.00 C ATOM 1486 NE ARG A 98 19.890 1.531 -1.546 1.00 0.00 N ATOM 1487 CZ ARG A 98 20.843 2.426 -1.303 1.00 0.00 C ATOM 1488 NH1 ARG A 98 20.527 3.626 -0.835 1.00 0.00 N ATOM 1489 NH2 ARG A 98 22.112 2.119 -1.525 1.00 0.00 N ATOM 0 H ARG A 98 15.382 1.834 -4.743 1.00 0.00 H new ATOM 0 HA ARG A 98 15.191 2.784 -1.954 1.00 0.00 H new ATOM 0 HB2 ARG A 98 17.365 3.171 -4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.427 3.744 -2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.866 0.892 -2.440 1.00 0.00 H new ATOM 0 HG3 ARG A 98 18.295 1.241 -3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.334 2.787 -0.929 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.093 1.089 -0.569 1.00 0.00 H new ATOM 0 HE ARG A 98 20.168 0.619 -1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 98 19.551 3.864 -0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.260 4.310 -0.650 1.00 0.00 H new ATOM 0 HH21 ARG A 98 22.358 1.196 -1.882 1.00 0.00 H new ATOM 0 HH22 ARG A 98 22.843 2.806 -1.339 1.00 0.00 H new ATOM 1503 N GLN A 99 14.586 5.139 -2.449 1.00 0.00 N ATOM 1504 CA GLN A 99 14.066 6.472 -2.733 1.00 0.00 C ATOM 1505 C GLN A 99 14.940 7.544 -2.086 1.00 0.00 C ATOM 1506 O GLN A 99 14.763 8.737 -2.336 1.00 0.00 O ATOM 1507 CB GLN A 99 12.625 6.601 -2.233 1.00 0.00 C ATOM 1508 CG GLN A 99 11.661 5.632 -2.898 1.00 0.00 C ATOM 1509 CD GLN A 99 10.517 6.335 -3.606 1.00 0.00 C ATOM 1510 OE1 GLN A 99 9.300 6.138 -3.109 1.00 0.00 O flip ATOM 1511 NE2 GLN A 99 10.724 7.049 -4.587 1.00 0.00 N flip ATOM 0 H GLN A 99 14.607 4.897 -1.458 1.00 0.00 H new ATOM 0 HA GLN A 99 14.080 6.618 -3.813 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.607 6.436 -1.156 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.279 7.620 -2.406 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.206 5.020 -3.617 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.256 4.955 -2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.674 7.173 -4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.945 7.517 -5.051 1.00 0.00 H new ATOM 1520 N GLU A 100 15.884 7.109 -1.256 1.00 0.00 N ATOM 1521 CA GLU A 100 16.788 8.029 -0.574 1.00 0.00 C ATOM 1522 C GLU A 100 18.022 7.298 -0.055 1.00 0.00 C ATOM 1523 O GLU A 100 19.041 7.215 -0.743 1.00 0.00 O ATOM 1524 CB GLU A 100 16.065 8.727 0.581 1.00 0.00 C ATOM 1525 CG GLU A 100 16.631 10.098 0.911 1.00 0.00 C ATOM 1526 CD GLU A 100 16.162 11.168 -0.055 1.00 0.00 C ATOM 1527 OE1 GLU A 100 16.783 11.314 -1.128 1.00 0.00 O ATOM 1528 OE2 GLU A 100 15.172 11.861 0.261 1.00 0.00 O ATOM 0 H GLU A 100 16.043 6.125 -1.040 1.00 0.00 H new ATOM 0 HA GLU A 100 17.113 8.780 -1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 100 15.009 8.830 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 100 16.121 8.096 1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.338 10.374 1.924 1.00 0.00 H new ATOM 0 HG3 GLU A 100 17.720 10.051 0.896 1.00 0.00 H new ATOM 1535 N ARG A 101 17.928 6.766 1.161 1.00 0.00 N ATOM 1536 CA ARG A 101 19.038 6.040 1.769 1.00 0.00 C ATOM 1537 C ARG A 101 18.573 4.688 2.298 1.00 0.00 C ATOM 1538 O ARG A 101 19.375 3.889 2.782 1.00 0.00 O ATOM 1539 CB ARG A 101 19.653 6.862 2.907 1.00 0.00 C ATOM 1540 CG ARG A 101 18.652 7.265 3.978 1.00 0.00 C ATOM 1541 CD ARG A 101 19.005 6.660 5.326 1.00 0.00 C ATOM 1542 NE ARG A 101 19.480 7.667 6.272 1.00 0.00 N ATOM 1543 CZ ARG A 101 20.752 8.038 6.379 1.00 0.00 C ATOM 1544 NH1 ARG A 101 21.677 7.485 5.604 1.00 0.00 N ATOM 1545 NH2 ARG A 101 21.102 8.962 7.264 1.00 0.00 N ATOM 0 H ARG A 101 17.093 6.825 1.745 1.00 0.00 H new ATOM 0 HA ARG A 101 19.795 5.873 1.003 1.00 0.00 H new ATOM 0 HB2 ARG A 101 20.454 6.285 3.369 1.00 0.00 H new ATOM 0 HB3 ARG A 101 20.108 7.761 2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.625 8.351 4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.653 6.943 3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.129 6.160 5.739 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.773 5.899 5.191 1.00 0.00 H new ATOM 0 HE ARG A 101 18.796 8.111 6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.413 6.773 4.923 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.652 7.772 5.689 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.395 9.388 7.863 1.00 0.00 H new ATOM 0 HH22 ARG A 101 22.078 9.246 7.346 1.00 0.00 H new ATOM 1559 N ARG A 102 17.272 4.440 2.196 1.00 0.00 N ATOM 1560 CA ARG A 102 16.690 3.187 2.660 1.00 0.00 C ATOM 1561 C ARG A 102 15.711 2.639 1.627 1.00 0.00 C ATOM 1562 O ARG A 102 14.970 3.398 1.001 1.00 0.00 O ATOM 1563 CB ARG A 102 15.983 3.405 4.008 1.00 0.00 C ATOM 1564 CG ARG A 102 14.583 2.805 4.091 1.00 0.00 C ATOM 1565 CD ARG A 102 13.682 3.590 5.036 1.00 0.00 C ATOM 1566 NE ARG A 102 14.346 4.767 5.590 1.00 0.00 N ATOM 1567 CZ ARG A 102 14.428 5.026 6.891 1.00 0.00 C ATOM 1568 NH1 ARG A 102 13.898 4.188 7.773 1.00 0.00 N ATOM 1569 NH2 ARG A 102 15.042 6.123 7.313 1.00 0.00 N ATOM 0 H ARG A 102 16.599 5.093 1.795 1.00 0.00 H new ATOM 0 HA ARG A 102 17.488 2.457 2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 102 16.597 2.975 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 102 15.918 4.476 4.201 1.00 0.00 H new ATOM 0 HG2 ARG A 102 14.137 2.786 3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 102 14.651 1.771 4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 102 12.784 3.901 4.503 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.361 2.941 5.850 1.00 0.00 H new ATOM 0 HE ARG A 102 14.772 5.429 4.941 1.00 0.00 H new ATOM 0 HH11 ARG A 102 13.426 3.342 7.453 1.00 0.00 H new ATOM 0 HH12 ARG A 102 13.963 4.390 8.771 1.00 0.00 H new ATOM 0 HH21 ARG A 102 15.452 6.769 6.639 1.00 0.00 H new ATOM 0 HH22 ARG A 102 15.104 6.320 8.312 1.00 0.00 H new ATOM 1583 N LEU A 103 15.702 1.319 1.457 1.00 0.00 N ATOM 1584 CA LEU A 103 14.796 0.689 0.505 1.00 0.00 C ATOM 1585 C LEU A 103 13.355 0.995 0.888 1.00 0.00 C ATOM 1586 O LEU A 103 12.820 0.415 1.833 1.00 0.00 O ATOM 1587 CB LEU A 103 15.007 -0.828 0.446 1.00 0.00 C ATOM 1588 CG LEU A 103 16.246 -1.353 1.173 1.00 0.00 C ATOM 1589 CD1 LEU A 103 15.939 -2.674 1.860 1.00 0.00 C ATOM 1590 CD2 LEU A 103 17.401 -1.514 0.198 1.00 0.00 C ATOM 0 H LEU A 103 16.307 0.671 1.962 1.00 0.00 H new ATOM 0 HA LEU A 103 15.010 1.096 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.127 -1.315 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 103 15.068 -1.128 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 103 16.535 -0.629 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 103 16.831 -3.034 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 103 15.138 -2.530 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 103 15.628 -3.407 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 103 18.276 -1.888 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 103 17.121 -2.220 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 103 17.635 -0.549 -0.252 1.00 0.00 H new ATOM 1602 N CYS A 104 12.737 1.915 0.160 1.00 0.00 N ATOM 1603 CA CYS A 104 11.365 2.304 0.436 1.00 0.00 C ATOM 1604 C CYS A 104 10.377 1.461 -0.361 1.00 0.00 C ATOM 1605 O CYS A 104 10.462 1.371 -1.585 1.00 0.00 O ATOM 1606 CB CYS A 104 11.160 3.785 0.113 1.00 0.00 C ATOM 1607 SG CYS A 104 12.015 4.912 1.239 1.00 0.00 S ATOM 0 H CYS A 104 13.166 2.405 -0.626 1.00 0.00 H new ATOM 0 HA CYS A 104 11.179 2.135 1.497 1.00 0.00 H new ATOM 0 HB2 CYS A 104 11.503 3.975 -0.904 1.00 0.00 H new ATOM 0 HB3 CYS A 104 10.093 4.006 0.136 1.00 0.00 H new ATOM 0 HG CYS A 104 13.259 4.551 1.353 1.00 0.00 H new ATOM 1613 N CYS A 105 9.428 0.857 0.348 1.00 0.00 N ATOM 1614 CA CYS A 105 8.409 0.033 -0.281 1.00 0.00 C ATOM 1615 C CYS A 105 7.313 0.923 -0.860 1.00 0.00 C ATOM 1616 O CYS A 105 6.693 1.707 -0.142 1.00 0.00 O ATOM 1617 CB CYS A 105 7.819 -0.944 0.742 1.00 0.00 C ATOM 1618 SG CYS A 105 7.739 -2.656 0.166 1.00 0.00 S ATOM 0 H CYS A 105 9.346 0.925 1.362 1.00 0.00 H new ATOM 0 HA CYS A 105 8.860 -0.542 -1.090 1.00 0.00 H new ATOM 0 HB2 CYS A 105 8.417 -0.906 1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 105 6.815 -0.614 1.007 1.00 0.00 H new ATOM 0 HG CYS A 105 6.572 -3.155 0.448 1.00 0.00 H new ATOM 1624 N VAL A 106 7.090 0.807 -2.167 1.00 0.00 N ATOM 1625 CA VAL A 106 6.081 1.613 -2.846 1.00 0.00 C ATOM 1626 C VAL A 106 4.922 0.758 -3.346 1.00 0.00 C ATOM 1627 O VAL A 106 5.113 -0.157 -4.142 1.00 0.00 O ATOM 1628 CB VAL A 106 6.691 2.380 -4.037 1.00 0.00 C ATOM 1629 CG1 VAL A 106 5.604 2.985 -4.912 1.00 0.00 C ATOM 1630 CG2 VAL A 106 7.646 3.455 -3.543 1.00 0.00 C ATOM 0 H VAL A 106 7.595 0.163 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 106 5.703 2.325 -2.112 1.00 0.00 H new ATOM 0 HB VAL A 106 7.253 1.672 -4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.062 3.520 -5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.965 2.191 -5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.005 3.678 -4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 106 8.068 3.987 -4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.106 4.158 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.450 2.992 -2.970 1.00 0.00 H new ATOM 1640 N VAL A 107 3.718 1.092 -2.895 1.00 0.00 N ATOM 1641 CA VAL A 107 2.513 0.382 -3.310 1.00 0.00 C ATOM 1642 C VAL A 107 1.659 1.279 -4.193 1.00 0.00 C ATOM 1643 O VAL A 107 1.526 2.473 -3.928 1.00 0.00 O ATOM 1644 CB VAL A 107 1.647 -0.039 -2.107 1.00 0.00 C ATOM 1645 CG1 VAL A 107 1.922 -1.463 -1.677 1.00 0.00 C ATOM 1646 CG2 VAL A 107 1.834 0.924 -0.958 1.00 0.00 C ATOM 0 H VAL A 107 3.550 1.854 -2.238 1.00 0.00 H new ATOM 0 HA VAL A 107 2.842 -0.508 -3.847 1.00 0.00 H new ATOM 0 HB VAL A 107 0.605 -0.002 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 107 1.289 -1.715 -0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.706 -2.141 -2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.969 -1.561 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.215 0.612 -0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.881 0.930 -0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.541 1.926 -1.272 1.00 0.00 H new ATOM 1656 N VAL A 108 1.066 0.704 -5.231 1.00 0.00 N ATOM 1657 CA VAL A 108 0.213 1.475 -6.119 1.00 0.00 C ATOM 1658 C VAL A 108 -1.113 0.763 -6.344 1.00 0.00 C ATOM 1659 O VAL A 108 -1.172 -0.273 -7.008 1.00 0.00 O ATOM 1660 CB VAL A 108 0.887 1.752 -7.477 1.00 0.00 C ATOM 1661 CG1 VAL A 108 0.131 2.837 -8.229 1.00 0.00 C ATOM 1662 CG2 VAL A 108 2.341 2.150 -7.284 1.00 0.00 C ATOM 0 H VAL A 108 1.159 -0.282 -5.475 1.00 0.00 H new ATOM 0 HA VAL A 108 0.034 2.433 -5.630 1.00 0.00 H new ATOM 0 HB VAL A 108 0.861 0.837 -8.068 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.618 3.023 -9.186 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.895 2.513 -8.401 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.128 3.754 -7.639 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.798 2.341 -8.255 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.393 3.052 -6.675 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.876 1.343 -6.784 1.00 0.00 H new ATOM 1672 N LEU A 109 -2.176 1.317 -5.766 1.00 0.00 N ATOM 1673 CA LEU A 109 -3.505 0.735 -5.877 1.00 0.00 C ATOM 1674 C LEU A 109 -4.245 1.268 -7.098 1.00 0.00 C ATOM 1675 O LEU A 109 -4.403 2.478 -7.263 1.00 0.00 O ATOM 1676 CB LEU A 109 -4.298 1.038 -4.608 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.443 1.157 -3.348 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -4.109 2.064 -2.328 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -3.180 -0.220 -2.762 1.00 0.00 C ATOM 0 H LEU A 109 -2.139 2.174 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.401 -0.343 -5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.847 1.969 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.037 0.251 -4.459 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.487 1.605 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.482 2.134 -1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.243 3.057 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.081 1.653 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.570 -0.123 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.128 -0.694 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.654 -0.832 -3.494 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.702 0.354 -7.946 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.433 0.723 -9.151 1.00 0.00 C ATOM 1693 C GLU A 110 -6.756 -0.034 -9.231 1.00 0.00 C ATOM 1694 O GLU A 110 -6.769 -1.260 -9.345 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.586 0.433 -10.393 1.00 0.00 C ATOM 1696 CG GLU A 110 -4.849 1.389 -11.544 1.00 0.00 C ATOM 1697 CD GLU A 110 -3.886 1.190 -12.696 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -2.681 1.466 -12.517 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -4.335 0.757 -13.780 1.00 0.00 O ATOM 0 H GLU A 110 -4.578 -0.651 -7.820 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.647 1.791 -9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.531 0.484 -10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.781 -0.586 -10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.870 1.251 -11.900 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.773 2.415 -11.184 1.00 0.00 H new ATOM 1706 N PRO A 111 -7.891 0.685 -9.173 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.219 0.070 -9.240 1.00 0.00 C ATOM 1708 C PRO A 111 -9.382 -0.810 -10.474 1.00 0.00 C ATOM 1709 O PRO A 111 -9.038 -0.403 -11.584 1.00 0.00 O ATOM 1710 CB PRO A 111 -10.171 1.267 -9.308 1.00 0.00 C ATOM 1711 CG PRO A 111 -9.414 2.388 -8.689 1.00 0.00 C ATOM 1712 CD PRO A 111 -7.971 2.153 -9.036 1.00 0.00 C ATOM 0 HA PRO A 111 -9.406 -0.587 -8.390 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.446 1.496 -10.338 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -11.096 1.068 -8.767 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.756 3.349 -9.073 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.558 2.407 -7.609 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.692 2.659 -9.960 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -7.304 2.521 -8.256 1.00 0.00 H new ATOM 1720 N VAL A 112 -9.907 -2.014 -10.276 1.00 0.00 N ATOM 1721 CA VAL A 112 -10.113 -2.942 -11.381 1.00 0.00 C ATOM 1722 C VAL A 112 -11.405 -2.624 -12.127 1.00 0.00 C ATOM 1723 O VAL A 112 -12.349 -2.081 -11.549 1.00 0.00 O ATOM 1724 CB VAL A 112 -10.155 -4.405 -10.894 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -8.907 -4.735 -10.089 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -11.409 -4.661 -10.073 1.00 0.00 C ATOM 0 H VAL A 112 -10.197 -2.369 -9.365 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.266 -2.823 -12.057 1.00 0.00 H new ATOM 0 HB VAL A 112 -10.181 -5.057 -11.767 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.954 -5.771 -9.754 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.024 -4.595 -10.713 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.848 -4.076 -9.223 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.420 -5.698 -9.739 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.417 -4.000 -9.206 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -12.290 -4.468 -10.685 1.00 0.00 H new ATOM 1736 N GLU A 113 -11.440 -2.963 -13.411 1.00 0.00 N ATOM 1737 CA GLU A 113 -12.617 -2.711 -14.236 1.00 0.00 C ATOM 1738 C GLU A 113 -13.033 -3.974 -14.983 1.00 0.00 C ATOM 1739 O GLU A 113 -12.200 -4.823 -15.300 1.00 0.00 O ATOM 1740 CB GLU A 113 -12.343 -1.583 -15.232 1.00 0.00 C ATOM 1741 CG GLU A 113 -10.874 -1.198 -15.338 1.00 0.00 C ATOM 1742 CD GLU A 113 -10.431 -0.979 -16.769 1.00 0.00 C ATOM 1743 OE1 GLU A 113 -10.626 -1.893 -17.598 1.00 0.00 O ATOM 1744 OE2 GLU A 113 -9.886 0.106 -17.063 1.00 0.00 O ATOM 0 H GLU A 113 -10.668 -3.413 -13.903 1.00 0.00 H new ATOM 0 HA GLU A 113 -13.432 -2.410 -13.578 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.701 -1.885 -16.216 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.919 -0.705 -14.939 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -10.698 -0.288 -14.764 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.264 -1.981 -14.888 1.00 0.00 H new ATOM 1751 N ARG A 114 -14.328 -4.088 -15.262 1.00 0.00 N ATOM 1752 CA ARG A 114 -14.857 -5.248 -15.972 1.00 0.00 C ATOM 1753 C ARG A 114 -16.205 -4.926 -16.612 1.00 0.00 C ATOM 1754 O ARG A 114 -17.244 -5.280 -16.017 1.00 0.00 O ATOM 1755 CB ARG A 114 -15.002 -6.435 -15.016 1.00 0.00 C ATOM 1756 CG ARG A 114 -15.221 -6.028 -13.568 1.00 0.00 C ATOM 1757 CD ARG A 114 -15.430 -7.242 -12.675 1.00 0.00 C ATOM 1758 NE ARG A 114 -14.252 -8.104 -12.639 1.00 0.00 N ATOM 1759 CZ ARG A 114 -14.017 -8.992 -11.676 1.00 0.00 C ATOM 1760 NH1 ARG A 114 -14.875 -9.136 -10.676 1.00 0.00 N ATOM 1761 NH2 ARG A 114 -12.920 -9.738 -11.717 1.00 0.00 N ATOM 1762 OXT ARG A 114 -16.207 -4.320 -17.704 1.00 0.00 O ATOM 0 H ARG A 114 -15.030 -3.393 -15.008 1.00 0.00 H new ATOM 0 HA ARG A 114 -14.154 -5.511 -16.762 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -15.839 -7.053 -15.341 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -14.106 -7.053 -15.079 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -14.361 -5.458 -13.215 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -16.088 -5.371 -13.500 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -15.668 -6.912 -11.664 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -16.286 -7.813 -13.034 1.00 0.00 H new ATOM 0 HE ARG A 114 -13.571 -8.021 -13.394 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -15.720 -8.565 -10.642 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -14.691 -9.818 -9.940 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -12.258 -9.630 -12.486 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -12.739 -10.419 -10.980 1.00 0.00 H new TER 1776 ARG A 114