USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 888 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 76 SER OG : rot 170:sc= -1 USER MOD Set 1.2: A 99 TYR OH : rot -15:sc= -1.36 USER MOD Set 2.1: A 34 MET CE :methyl -108:sc= -2.95! (180deg=-1.97!) USER MOD Set 2.2: A 58 ASN : amide:sc= -9.2! C(o=-12!,f=-13!) USER MOD Set 3.1: A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 87 MET CE :methyl -163:sc= -0.375 (180deg=-1.62) USER MOD Set 4.1: A 1 MET N :NH3+ -105:sc= 0.0731 (180deg=-0.14) USER MOD Set 4.2: A 16 GLN : amide:sc= -0.27 K(o=-0.2,f=-1.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0818 K(o=-0.082,f=-1.9!) USER MOD Single : A 13 GLN : amide:sc= -6.11! C(o=-6.1!,f=-5.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -3.19! C(o=-3.2!,f=-6!) USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= -6.18! (180deg=-6.69!) USER MOD Single : A 35 MET CE :methyl 143:sc= -0.468 (180deg=-2.1!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 155:sc= -4.09! (180deg=-6.45!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 30:sc= -2.8! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -27:sc= 0.882 USER MOD Single : A 55 THR OG1 : rot 79:sc= 0.00362 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0162 X(o=-0.016,f=-0.19) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.858 K(o=-0.86,f=-10!) USER MOD Single : A 102 SER OG : rot -129:sc= -1.89 USER MOD Single : A 107 MET CE :methyl -144:sc= -11.3! (180deg=-17.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.250 -7.066 -2.806 1.00 0.00 N ATOM 2 CA MET A 1 -10.154 -8.179 -3.038 1.00 0.00 C ATOM 3 C MET A 1 -9.569 -9.484 -2.491 1.00 0.00 C ATOM 4 O MET A 1 -8.413 -9.522 -2.072 1.00 0.00 O ATOM 5 CB MET A 1 -10.411 -8.325 -4.539 1.00 0.00 C ATOM 6 CG MET A 1 -9.142 -8.767 -5.272 1.00 0.00 C ATOM 7 SD MET A 1 -8.756 -7.610 -6.575 1.00 0.00 S ATOM 8 CE MET A 1 -7.299 -8.386 -7.257 1.00 0.00 C ATOM 0 H1 MET A 1 -9.614 -6.479 -2.028 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.309 -7.430 -2.554 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.179 -6.491 -3.669 1.00 0.00 H new ATOM 0 HA MET A 1 -11.090 -7.976 -2.518 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.204 -9.053 -4.707 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.759 -7.376 -4.946 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.310 -8.829 -4.571 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.282 -9.764 -5.689 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.924 -7.789 -8.088 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.531 -8.458 -6.487 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.551 -9.385 -7.612 1.00 0.00 H new ATOM 18 N ALA A 2 -10.393 -10.520 -2.513 1.00 0.00 N ATOM 19 CA ALA A 2 -9.972 -11.822 -2.025 1.00 0.00 C ATOM 20 C ALA A 2 -10.059 -12.841 -3.163 1.00 0.00 C ATOM 21 O ALA A 2 -10.940 -12.750 -4.016 1.00 0.00 O ATOM 22 CB ALA A 2 -10.829 -12.218 -0.821 1.00 0.00 C ATOM 0 H ALA A 2 -11.351 -10.485 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.935 -11.789 -1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.513 -13.195 -0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.709 -11.478 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.876 -12.264 -1.119 1.00 0.00 H new ATOM 28 N LYS A 3 -9.135 -13.789 -3.138 1.00 0.00 N ATOM 29 CA LYS A 3 -9.095 -14.824 -4.156 1.00 0.00 C ATOM 30 C LYS A 3 -8.662 -16.146 -3.519 1.00 0.00 C ATOM 31 O LYS A 3 -7.477 -16.474 -3.508 1.00 0.00 O ATOM 32 CB LYS A 3 -8.215 -14.390 -5.329 1.00 0.00 C ATOM 33 CG LYS A 3 -8.629 -15.100 -6.620 1.00 0.00 C ATOM 34 CD LYS A 3 -9.974 -14.577 -7.127 1.00 0.00 C ATOM 35 CE LYS A 3 -10.940 -15.728 -7.410 1.00 0.00 C ATOM 36 NZ LYS A 3 -12.031 -15.283 -8.304 1.00 0.00 N ATOM 0 H LYS A 3 -8.407 -13.862 -2.427 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.089 -14.982 -4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.289 -13.311 -5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.171 -14.612 -5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.865 -14.949 -7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.696 -16.174 -6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.410 -13.906 -6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -9.822 -13.994 -8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -10.402 -16.557 -7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -11.358 -16.098 -6.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.677 -16.077 -8.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.555 -14.507 -7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -11.629 -14.952 -9.204 1.00 0.00 H new ATOM 49 N GLU A 4 -9.647 -16.868 -3.003 1.00 0.00 N ATOM 50 CA GLU A 4 -9.381 -18.147 -2.366 1.00 0.00 C ATOM 51 C GLU A 4 -9.047 -19.205 -3.418 1.00 0.00 C ATOM 52 O GLU A 4 -9.928 -19.931 -3.876 1.00 0.00 O ATOM 53 CB GLU A 4 -10.566 -18.586 -1.504 1.00 0.00 C ATOM 54 CG GLU A 4 -11.831 -18.743 -2.350 1.00 0.00 C ATOM 55 CD GLU A 4 -13.065 -18.262 -1.585 1.00 0.00 C ATOM 56 OE1 GLU A 4 -13.470 -18.895 -0.599 1.00 0.00 O ATOM 57 OE2 GLU A 4 -13.611 -17.188 -2.048 1.00 0.00 O ATOM 0 H GLU A 4 -10.629 -16.592 -3.013 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.519 -18.032 -1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.333 -19.531 -1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.739 -17.852 -0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.727 -18.175 -3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.958 -19.789 -2.631 1.00 0.00 H new ATOM 65 N PHE A 5 -7.771 -19.262 -3.770 1.00 0.00 N ATOM 66 CA PHE A 5 -7.309 -20.219 -4.760 1.00 0.00 C ATOM 67 C PHE A 5 -5.918 -20.750 -4.401 1.00 0.00 C ATOM 68 O PHE A 5 -4.988 -19.973 -4.194 1.00 0.00 O ATOM 69 CB PHE A 5 -7.229 -19.479 -6.096 1.00 0.00 C ATOM 70 CG PHE A 5 -6.905 -20.381 -7.289 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.005 -21.732 -7.168 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.517 -19.832 -8.471 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.703 -22.569 -8.274 1.00 0.00 C ATOM 74 CE2 PHE A 5 -6.216 -20.669 -9.578 1.00 0.00 C ATOM 75 CZ PHE A 5 -6.315 -22.020 -9.456 1.00 0.00 C ATOM 0 H PHE A 5 -7.042 -18.660 -3.387 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.993 -21.067 -4.805 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.180 -18.978 -6.280 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.468 -18.702 -6.024 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.314 -22.168 -6.230 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.438 -18.759 -8.568 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.781 -23.642 -8.177 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.908 -20.233 -10.517 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.086 -22.657 -10.298 1.00 0.00 H new ATOM 85 N GLY A 6 -5.823 -22.071 -4.340 1.00 0.00 N ATOM 86 CA GLY A 6 -4.562 -22.715 -4.011 1.00 0.00 C ATOM 87 C GLY A 6 -3.385 -21.968 -4.638 1.00 0.00 C ATOM 88 O GLY A 6 -2.272 -22.004 -4.115 1.00 0.00 O ATOM 0 H GLY A 6 -6.598 -22.712 -4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.439 -22.751 -2.928 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.573 -23.746 -4.365 1.00 0.00 H new ATOM 92 N ARG A 7 -3.668 -21.310 -5.752 1.00 0.00 N ATOM 93 CA ARG A 7 -2.647 -20.555 -6.457 1.00 0.00 C ATOM 94 C ARG A 7 -2.024 -19.509 -5.530 1.00 0.00 C ATOM 95 O ARG A 7 -2.419 -19.388 -4.372 1.00 0.00 O ATOM 96 CB ARG A 7 -3.229 -19.853 -7.686 1.00 0.00 C ATOM 97 CG ARG A 7 -2.622 -20.410 -8.974 1.00 0.00 C ATOM 98 CD ARG A 7 -2.527 -19.326 -10.050 1.00 0.00 C ATOM 99 NE ARG A 7 -3.056 -19.839 -11.334 1.00 0.00 N ATOM 100 CZ ARG A 7 -3.101 -19.120 -12.475 1.00 0.00 C ATOM 101 NH1 ARG A 7 -2.649 -17.847 -12.501 1.00 0.00 N ATOM 102 NH2 ARG A 7 -3.595 -19.678 -13.563 1.00 0.00 N ATOM 0 H ARG A 7 -4.591 -21.284 -6.184 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.882 -21.259 -6.783 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.311 -19.982 -7.704 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.037 -18.782 -7.623 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.630 -20.811 -8.769 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.231 -21.237 -9.339 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.090 -18.445 -9.741 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.490 -19.014 -10.173 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.409 -20.796 -11.358 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.270 -17.423 -11.654 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.686 -17.310 -13.367 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.936 -20.639 -13.534 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.636 -19.149 -14.434 1.00 0.00 H new ATOM 115 N PRO A 8 -1.033 -18.763 -6.088 1.00 0.00 N ATOM 116 CA PRO A 8 -0.350 -17.733 -5.323 1.00 0.00 C ATOM 117 C PRO A 8 -1.237 -16.497 -5.158 1.00 0.00 C ATOM 118 O PRO A 8 -0.796 -15.480 -4.622 1.00 0.00 O ATOM 119 CB PRO A 8 0.926 -17.448 -6.097 1.00 0.00 C ATOM 120 CG PRO A 8 0.692 -17.989 -7.498 1.00 0.00 C ATOM 121 CD PRO A 8 -0.538 -18.879 -7.455 1.00 0.00 C ATOM 0 HA PRO A 8 -0.120 -18.047 -4.305 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.138 -16.379 -6.121 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.783 -17.932 -5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.547 -17.171 -8.204 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.560 -18.554 -7.839 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.288 -18.553 -8.176 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.288 -19.912 -7.699 1.00 0.00 H new ATOM 129 N GLN A 9 -2.469 -16.623 -5.626 1.00 0.00 N ATOM 130 CA GLN A 9 -3.421 -15.530 -5.536 1.00 0.00 C ATOM 131 C GLN A 9 -3.985 -15.431 -4.117 1.00 0.00 C ATOM 132 O GLN A 9 -4.177 -14.333 -3.596 1.00 0.00 O ATOM 133 CB GLN A 9 -4.545 -15.695 -6.563 1.00 0.00 C ATOM 134 CG GLN A 9 -4.829 -14.373 -7.279 1.00 0.00 C ATOM 135 CD GLN A 9 -3.852 -14.156 -8.437 1.00 0.00 C ATOM 136 OE1 GLN A 9 -3.227 -15.078 -8.937 1.00 0.00 O ATOM 137 NE2 GLN A 9 -3.755 -12.890 -8.834 1.00 0.00 N ATOM 0 H GLN A 9 -2.831 -17.467 -6.070 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.899 -14.601 -5.763 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.268 -16.456 -7.292 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.449 -16.045 -6.065 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -5.852 -14.372 -7.656 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -4.749 -13.548 -6.572 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.307 -12.167 -8.372 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.129 -12.642 -9.600 1.00 0.00 H new ATOM 146 N ARG A 10 -4.233 -16.593 -3.532 1.00 0.00 N ATOM 147 CA ARG A 10 -4.771 -16.650 -2.183 1.00 0.00 C ATOM 148 C ARG A 10 -3.838 -15.930 -1.208 1.00 0.00 C ATOM 149 O ARG A 10 -4.273 -15.062 -0.453 1.00 0.00 O ATOM 150 CB ARG A 10 -4.955 -18.100 -1.726 1.00 0.00 C ATOM 151 CG ARG A 10 -5.894 -18.179 -0.520 1.00 0.00 C ATOM 152 CD ARG A 10 -5.111 -18.082 0.792 1.00 0.00 C ATOM 153 NE ARG A 10 -4.677 -19.429 1.222 1.00 0.00 N ATOM 154 CZ ARG A 10 -3.639 -19.661 2.054 1.00 0.00 C ATOM 155 NH1 ARG A 10 -2.918 -18.633 2.552 1.00 0.00 N ATOM 156 NH2 ARG A 10 -3.339 -20.906 2.373 1.00 0.00 N ATOM 0 H ARG A 10 -4.072 -17.502 -3.966 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.743 -16.156 -2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.358 -18.695 -2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.987 -18.529 -1.467 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.626 -17.373 -0.571 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.449 -19.116 -0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.243 -17.436 0.660 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.733 -17.628 1.563 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.194 -20.233 0.868 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.156 -17.674 2.300 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.135 -18.816 3.180 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.888 -21.677 1.992 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.558 -21.098 3.000 1.00 0.00 H new ATOM 169 N VAL A 11 -2.571 -16.317 -1.255 1.00 0.00 N ATOM 170 CA VAL A 11 -1.574 -15.718 -0.386 1.00 0.00 C ATOM 171 C VAL A 11 -1.421 -14.237 -0.736 1.00 0.00 C ATOM 172 O VAL A 11 -1.277 -13.397 0.152 1.00 0.00 O ATOM 173 CB VAL A 11 -0.258 -16.494 -0.486 1.00 0.00 C ATOM 174 CG1 VAL A 11 0.744 -15.763 -1.379 1.00 0.00 C ATOM 175 CG2 VAL A 11 0.331 -16.755 0.901 1.00 0.00 C ATOM 0 H VAL A 11 -2.213 -17.038 -1.882 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.892 -15.775 0.655 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.473 -17.459 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.670 -16.336 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.327 -15.653 -2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.951 -14.777 -0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.265 -17.308 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.523 -15.805 1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.375 -17.339 1.492 1.00 0.00 H new ATOM 185 N ALA A 12 -1.458 -13.961 -2.030 1.00 0.00 N ATOM 186 CA ALA A 12 -1.326 -12.595 -2.508 1.00 0.00 C ATOM 187 C ALA A 12 -2.465 -11.748 -1.940 1.00 0.00 C ATOM 188 O ALA A 12 -2.256 -10.597 -1.557 1.00 0.00 O ATOM 189 CB ALA A 12 -1.304 -12.590 -4.038 1.00 0.00 C ATOM 0 H ALA A 12 -1.578 -14.660 -2.763 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.388 -12.158 -2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.205 -11.566 -4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.460 -13.182 -4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.232 -13.019 -4.417 1.00 0.00 H new ATOM 195 N GLN A 13 -3.645 -12.349 -1.901 1.00 0.00 N ATOM 196 CA GLN A 13 -4.818 -11.663 -1.385 1.00 0.00 C ATOM 197 C GLN A 13 -4.707 -11.493 0.132 1.00 0.00 C ATOM 198 O GLN A 13 -4.622 -10.371 0.631 1.00 0.00 O ATOM 199 CB GLN A 13 -6.099 -12.409 -1.761 1.00 0.00 C ATOM 200 CG GLN A 13 -6.270 -12.472 -3.280 1.00 0.00 C ATOM 201 CD GLN A 13 -5.200 -11.638 -3.988 1.00 0.00 C ATOM 202 OE1 GLN A 13 -4.234 -12.151 -4.527 1.00 0.00 O ATOM 203 NE2 GLN A 13 -5.427 -10.328 -3.956 1.00 0.00 N ATOM 0 H GLN A 13 -3.814 -13.304 -2.218 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.867 -10.674 -1.840 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.069 -13.419 -1.352 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.959 -11.910 -1.315 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.208 -13.508 -3.614 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.260 -12.107 -3.553 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.257 -9.966 -3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.771 -9.686 -4.401 1.00 0.00 H new ATOM 212 N GLU A 14 -4.713 -12.622 0.825 1.00 0.00 N ATOM 213 CA GLU A 14 -4.616 -12.613 2.274 1.00 0.00 C ATOM 214 C GLU A 14 -3.636 -11.530 2.732 1.00 0.00 C ATOM 215 O GLU A 14 -3.918 -10.794 3.677 1.00 0.00 O ATOM 216 CB GLU A 14 -4.202 -13.986 2.805 1.00 0.00 C ATOM 217 CG GLU A 14 -5.387 -14.954 2.804 1.00 0.00 C ATOM 218 CD GLU A 14 -6.021 -15.048 4.193 1.00 0.00 C ATOM 219 OE1 GLU A 14 -7.088 -14.462 4.427 1.00 0.00 O ATOM 220 OE2 GLU A 14 -5.364 -15.759 5.045 1.00 0.00 O ATOM 0 H GLU A 14 -4.784 -13.550 0.409 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.600 -12.384 2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.397 -14.390 2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.811 -13.886 3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.133 -14.621 2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.054 -15.942 2.485 1.00 0.00 H new ATOM 228 N MET A 15 -2.508 -11.467 2.042 1.00 0.00 N ATOM 229 CA MET A 15 -1.485 -10.487 2.367 1.00 0.00 C ATOM 230 C MET A 15 -1.917 -9.082 1.936 1.00 0.00 C ATOM 231 O MET A 15 -1.679 -8.110 2.650 1.00 0.00 O ATOM 232 CB MET A 15 -0.179 -10.858 1.663 1.00 0.00 C ATOM 233 CG MET A 15 0.773 -11.579 2.620 1.00 0.00 C ATOM 234 SD MET A 15 2.434 -11.544 1.968 1.00 0.00 S ATOM 235 CE MET A 15 3.349 -11.222 3.468 1.00 0.00 C ATOM 0 H MET A 15 -2.279 -12.079 1.259 1.00 0.00 H new ATOM 0 HA MET A 15 -1.337 -10.487 3.447 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.392 -11.497 0.806 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.299 -9.958 1.278 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.748 -11.102 3.600 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.450 -12.611 2.759 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.414 -11.169 3.240 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.022 -10.275 3.898 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.171 -12.026 4.183 1.00 0.00 H new ATOM 245 N GLN A 16 -2.541 -9.022 0.769 1.00 0.00 N ATOM 246 CA GLN A 16 -3.007 -7.754 0.235 1.00 0.00 C ATOM 247 C GLN A 16 -4.043 -7.131 1.173 1.00 0.00 C ATOM 248 O GLN A 16 -4.122 -5.909 1.292 1.00 0.00 O ATOM 249 CB GLN A 16 -3.577 -7.929 -1.173 1.00 0.00 C ATOM 250 CG GLN A 16 -3.825 -6.573 -1.837 1.00 0.00 C ATOM 251 CD GLN A 16 -5.318 -6.345 -2.082 1.00 0.00 C ATOM 252 OE1 GLN A 16 -6.174 -6.912 -1.422 1.00 0.00 O ATOM 253 NE2 GLN A 16 -5.581 -5.487 -3.064 1.00 0.00 N ATOM 0 H GLN A 16 -2.735 -9.831 0.178 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.156 -7.077 0.165 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.885 -8.514 -1.779 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.510 -8.490 -1.124 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.431 -5.777 -1.204 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.286 -6.524 -2.783 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.816 -5.048 -3.576 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.548 -5.268 -3.305 1.00 0.00 H new ATOM 262 N LYS A 17 -4.810 -7.999 1.815 1.00 0.00 N ATOM 263 CA LYS A 17 -5.838 -7.549 2.739 1.00 0.00 C ATOM 264 C LYS A 17 -5.183 -7.114 4.051 1.00 0.00 C ATOM 265 O LYS A 17 -5.570 -6.106 4.638 1.00 0.00 O ATOM 266 CB LYS A 17 -6.910 -8.627 2.914 1.00 0.00 C ATOM 267 CG LYS A 17 -7.979 -8.178 3.913 1.00 0.00 C ATOM 268 CD LYS A 17 -8.519 -9.368 4.708 1.00 0.00 C ATOM 269 CE LYS A 17 -7.923 -9.403 6.116 1.00 0.00 C ATOM 270 NZ LYS A 17 -8.989 -9.270 7.135 1.00 0.00 N ATOM 0 H LYS A 17 -4.741 -9.012 1.714 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.357 -6.679 2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.374 -8.844 1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.448 -9.552 3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.557 -7.441 4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.796 -7.690 3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.605 -9.305 4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.283 -10.296 4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.384 -10.338 6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.199 -8.596 6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.566 -9.296 8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.486 -8.366 7.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.664 -10.054 7.035 1.00 0.00 H new ATOM 283 N GLU A 18 -4.200 -7.898 4.473 1.00 0.00 N ATOM 284 CA GLU A 18 -3.487 -7.606 5.706 1.00 0.00 C ATOM 285 C GLU A 18 -2.667 -6.324 5.553 1.00 0.00 C ATOM 286 O GLU A 18 -2.560 -5.536 6.492 1.00 0.00 O ATOM 287 CB GLU A 18 -2.599 -8.781 6.115 1.00 0.00 C ATOM 288 CG GLU A 18 -2.185 -8.670 7.585 1.00 0.00 C ATOM 289 CD GLU A 18 -3.087 -9.528 8.474 1.00 0.00 C ATOM 290 OE1 GLU A 18 -3.794 -8.993 9.341 1.00 0.00 O ATOM 291 OE2 GLU A 18 -3.036 -10.796 8.240 1.00 0.00 O ATOM 0 H GLU A 18 -3.881 -8.734 3.983 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.218 -7.453 6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.132 -9.718 5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.710 -8.807 5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.148 -8.986 7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.238 -7.629 7.904 1.00 0.00 H new ATOM 299 N ILE A 19 -2.106 -6.156 4.364 1.00 0.00 N ATOM 300 CA ILE A 19 -1.297 -4.983 4.077 1.00 0.00 C ATOM 301 C ILE A 19 -2.213 -3.778 3.862 1.00 0.00 C ATOM 302 O ILE A 19 -1.949 -2.694 4.380 1.00 0.00 O ATOM 303 CB ILE A 19 -0.354 -5.257 2.903 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.100 -5.165 1.570 1.00 0.00 C ATOM 305 CG2 ILE A 19 0.355 -6.601 3.071 1.00 0.00 C ATOM 306 CD1 ILE A 19 -0.195 -5.576 0.406 1.00 0.00 C ATOM 0 H ILE A 19 -2.196 -6.812 3.588 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.653 -4.747 4.924 1.00 0.00 H new ATOM 0 HB ILE A 19 0.417 -4.486 2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.980 -5.808 1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.455 -4.146 1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.019 -6.771 2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.938 -6.592 3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.385 -7.400 3.118 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.749 -5.502 -0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.671 -4.916 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.138 -6.604 0.550 1.00 0.00 H new ATOM 318 N ALA A 20 -3.271 -4.006 3.098 1.00 0.00 N ATOM 319 CA ALA A 20 -4.229 -2.952 2.810 1.00 0.00 C ATOM 320 C ALA A 20 -4.782 -2.398 4.123 1.00 0.00 C ATOM 321 O ALA A 20 -5.066 -1.205 4.228 1.00 0.00 O ATOM 322 CB ALA A 20 -5.328 -3.499 1.897 1.00 0.00 C ATOM 0 H ALA A 20 -3.486 -4.906 2.669 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.748 -2.128 2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.047 -2.709 1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.885 -3.852 0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.836 -4.326 2.394 1.00 0.00 H new ATOM 328 N LEU A 21 -4.920 -3.289 5.094 1.00 0.00 N ATOM 329 CA LEU A 21 -5.434 -2.904 6.397 1.00 0.00 C ATOM 330 C LEU A 21 -4.376 -2.085 7.137 1.00 0.00 C ATOM 331 O LEU A 21 -4.628 -0.946 7.529 1.00 0.00 O ATOM 332 CB LEU A 21 -5.912 -4.135 7.170 1.00 0.00 C ATOM 333 CG LEU A 21 -6.213 -3.919 8.655 1.00 0.00 C ATOM 334 CD1 LEU A 21 -7.693 -4.165 8.955 1.00 0.00 C ATOM 335 CD2 LEU A 21 -5.300 -4.778 9.531 1.00 0.00 C ATOM 0 H LEU A 21 -4.684 -4.277 5.004 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.311 -2.266 6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.813 -4.515 6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.152 -4.912 7.083 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.004 -2.877 8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.881 -4.005 10.017 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.302 -3.475 8.371 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.952 -5.190 8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.535 -4.605 10.581 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.453 -5.831 9.294 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.260 -4.511 9.344 1.00 0.00 H new ATOM 347 N ILE A 22 -3.213 -2.697 7.306 1.00 0.00 N ATOM 348 CA ILE A 22 -2.113 -2.039 7.993 1.00 0.00 C ATOM 349 C ILE A 22 -1.781 -0.728 7.275 1.00 0.00 C ATOM 350 O ILE A 22 -1.240 0.195 7.881 1.00 0.00 O ATOM 351 CB ILE A 22 -0.920 -2.986 8.126 1.00 0.00 C ATOM 352 CG1 ILE A 22 -1.320 -4.274 8.848 1.00 0.00 C ATOM 353 CG2 ILE A 22 0.260 -2.290 8.805 1.00 0.00 C ATOM 354 CD1 ILE A 22 -0.265 -5.364 8.651 1.00 0.00 C ATOM 0 H ILE A 22 -3.008 -3.641 6.979 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.400 -1.782 9.013 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.594 -3.267 7.125 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.447 -4.074 9.912 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.282 -4.622 8.472 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.095 -2.986 8.887 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.564 -1.427 8.212 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.036 -1.960 9.801 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.574 -6.269 9.175 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.158 -5.579 7.588 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.690 -5.022 9.050 1.00 0.00 H new ATOM 366 N LEU A 23 -2.123 -0.688 5.995 1.00 0.00 N ATOM 367 CA LEU A 23 -1.867 0.494 5.189 1.00 0.00 C ATOM 368 C LEU A 23 -3.042 1.464 5.329 1.00 0.00 C ATOM 369 O LEU A 23 -2.934 2.632 4.960 1.00 0.00 O ATOM 370 CB LEU A 23 -1.563 0.100 3.743 1.00 0.00 C ATOM 371 CG LEU A 23 -0.735 1.101 2.935 1.00 0.00 C ATOM 372 CD1 LEU A 23 0.696 1.187 3.470 1.00 0.00 C ATOM 373 CD2 LEU A 23 -0.771 0.764 1.443 1.00 0.00 C ATOM 0 H LEU A 23 -2.575 -1.455 5.497 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.979 1.015 5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.037 -0.854 3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.508 -0.061 3.225 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.182 2.088 3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.263 1.905 2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.676 1.510 4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.169 0.207 3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.175 1.491 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.363 -0.234 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.801 0.795 1.088 1.00 0.00 H new ATOM 385 N GLN A 24 -4.137 0.944 5.864 1.00 0.00 N ATOM 386 CA GLN A 24 -5.331 1.750 6.057 1.00 0.00 C ATOM 387 C GLN A 24 -5.563 2.006 7.547 1.00 0.00 C ATOM 388 O GLN A 24 -6.439 2.784 7.918 1.00 0.00 O ATOM 389 CB GLN A 24 -6.551 1.084 5.419 1.00 0.00 C ATOM 390 CG GLN A 24 -6.798 1.627 4.010 1.00 0.00 C ATOM 391 CD GLN A 24 -6.032 0.812 2.965 1.00 0.00 C ATOM 392 OE1 GLN A 24 -4.817 0.868 2.866 1.00 0.00 O ATOM 393 NE2 GLN A 24 -6.808 0.055 2.196 1.00 0.00 N ATOM 0 H GLN A 24 -4.223 -0.025 6.170 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.182 2.710 5.562 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.400 0.005 5.376 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.430 1.258 6.039 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.865 1.599 3.788 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.489 2.671 3.960 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.819 0.056 2.333 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.393 -0.527 1.469 1.00 0.00 H new ATOM 402 N ARG A 25 -4.760 1.336 8.362 1.00 0.00 N ATOM 403 CA ARG A 25 -4.868 1.481 9.804 1.00 0.00 C ATOM 404 C ARG A 25 -3.600 2.124 10.369 1.00 0.00 C ATOM 405 O ARG A 25 -3.673 3.095 11.120 1.00 0.00 O ATOM 406 CB ARG A 25 -5.089 0.126 10.480 1.00 0.00 C ATOM 407 CG ARG A 25 -6.544 -0.034 10.922 1.00 0.00 C ATOM 408 CD ARG A 25 -7.436 -0.427 9.743 1.00 0.00 C ATOM 409 NE ARG A 25 -8.070 0.779 9.163 1.00 0.00 N ATOM 410 CZ ARG A 25 -9.011 1.515 9.790 1.00 0.00 C ATOM 411 NH1 ARG A 25 -9.438 1.174 11.026 1.00 0.00 N ATOM 412 NH2 ARG A 25 -9.508 2.574 9.179 1.00 0.00 N ATOM 0 H ARG A 25 -4.033 0.692 8.051 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.727 2.120 10.009 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.824 -0.676 9.791 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.430 0.035 11.344 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.610 -0.794 11.701 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.900 0.900 11.357 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.844 -0.938 8.983 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.203 -1.127 10.074 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.777 1.072 8.231 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.048 0.355 11.492 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.150 1.736 11.493 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.180 2.825 8.246 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.220 3.141 9.639 1.00 0.00 H new ATOM 425 N GLU A 26 -2.466 1.557 9.985 1.00 0.00 N ATOM 426 CA GLU A 26 -1.183 2.061 10.444 1.00 0.00 C ATOM 427 C GLU A 26 -0.812 3.336 9.683 1.00 0.00 C ATOM 428 O GLU A 26 0.126 4.037 10.059 1.00 0.00 O ATOM 429 CB GLU A 26 -0.091 0.999 10.297 1.00 0.00 C ATOM 430 CG GLU A 26 0.838 1.324 9.126 1.00 0.00 C ATOM 431 CD GLU A 26 1.931 2.307 9.550 1.00 0.00 C ATOM 432 OE1 GLU A 26 2.050 2.627 10.742 1.00 0.00 O ATOM 433 OE2 GLU A 26 2.675 2.742 8.590 1.00 0.00 O ATOM 0 H GLU A 26 -2.409 0.753 9.360 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.268 2.303 11.503 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.488 0.938 11.219 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.548 0.022 10.142 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.294 0.407 8.753 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.260 1.749 8.306 1.00 0.00 H new ATOM 441 N ILE A 27 -1.567 3.597 8.626 1.00 0.00 N ATOM 442 CA ILE A 27 -1.329 4.775 7.809 1.00 0.00 C ATOM 443 C ILE A 27 -2.265 5.899 8.259 1.00 0.00 C ATOM 444 O ILE A 27 -3.072 5.715 9.169 1.00 0.00 O ATOM 445 CB ILE A 27 -1.452 4.430 6.323 1.00 0.00 C ATOM 446 CG1 ILE A 27 -0.186 4.829 5.562 1.00 0.00 C ATOM 447 CG2 ILE A 27 -2.707 5.060 5.716 1.00 0.00 C ATOM 448 CD1 ILE A 27 -0.437 4.850 4.054 1.00 0.00 C ATOM 0 H ILE A 27 -2.344 3.013 8.316 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.309 5.134 7.946 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.557 3.349 6.231 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.146 5.813 5.893 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.616 4.128 5.791 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.770 4.799 4.660 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.589 4.686 6.236 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.657 6.144 5.820 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.479 5.137 3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.746 3.859 3.723 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.223 5.570 3.826 1.00 0.00 H new ATOM 460 N LYS A 28 -2.125 7.041 7.599 1.00 0.00 N ATOM 461 CA LYS A 28 -2.949 8.195 7.920 1.00 0.00 C ATOM 462 C LYS A 28 -4.028 8.360 6.849 1.00 0.00 C ATOM 463 O LYS A 28 -3.960 9.277 6.030 1.00 0.00 O ATOM 464 CB LYS A 28 -2.076 9.438 8.113 1.00 0.00 C ATOM 465 CG LYS A 28 -1.236 9.716 6.865 1.00 0.00 C ATOM 466 CD LYS A 28 0.256 9.718 7.199 1.00 0.00 C ATOM 467 CE LYS A 28 0.764 8.296 7.450 1.00 0.00 C ATOM 468 NZ LYS A 28 0.304 7.808 8.770 1.00 0.00 N ATOM 0 H LYS A 28 -1.455 7.191 6.845 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.464 8.045 8.869 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.707 10.300 8.331 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.421 9.297 8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.442 8.960 6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.518 10.679 6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.815 10.168 6.379 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.434 10.333 8.081 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.405 7.631 6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.853 8.280 7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.570 6.809 8.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.749 8.371 9.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.730 7.900 8.833 1.00 0.00 H new ATOM 481 N ASP A 29 -4.998 7.458 6.887 1.00 0.00 N ATOM 482 CA ASP A 29 -6.089 7.494 5.929 1.00 0.00 C ATOM 483 C ASP A 29 -7.162 8.470 6.418 1.00 0.00 C ATOM 484 O ASP A 29 -7.568 9.370 5.686 1.00 0.00 O ATOM 485 CB ASP A 29 -6.737 6.115 5.781 1.00 0.00 C ATOM 486 CG ASP A 29 -8.257 6.094 5.950 1.00 0.00 C ATOM 487 OD1 ASP A 29 -8.980 6.889 5.332 1.00 0.00 O ATOM 488 OD2 ASP A 29 -8.703 5.200 6.767 1.00 0.00 O ATOM 0 H ASP A 29 -5.051 6.699 7.566 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.682 7.808 4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.490 5.718 4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.295 5.442 6.516 1.00 0.00 H new ATOM 494 N PRO A 30 -7.602 8.251 7.687 1.00 0.00 N ATOM 495 CA PRO A 30 -8.618 9.100 8.283 1.00 0.00 C ATOM 496 C PRO A 30 -8.034 10.457 8.683 1.00 0.00 C ATOM 497 O PRO A 30 -8.743 11.309 9.216 1.00 0.00 O ATOM 498 CB PRO A 30 -9.146 8.309 9.469 1.00 0.00 C ATOM 499 CG PRO A 30 -8.093 7.256 9.770 1.00 0.00 C ATOM 500 CD PRO A 30 -7.143 7.193 8.584 1.00 0.00 C ATOM 0 HA PRO A 30 -9.424 9.340 7.590 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.307 8.957 10.330 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.105 7.847 9.234 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.550 7.509 10.681 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.560 6.286 9.936 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.111 7.356 8.894 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.180 6.218 8.098 1.00 0.00 H new ATOM 508 N ARG A 31 -6.747 10.615 8.407 1.00 0.00 N ATOM 509 CA ARG A 31 -6.061 11.854 8.731 1.00 0.00 C ATOM 510 C ARG A 31 -6.148 12.832 7.558 1.00 0.00 C ATOM 511 O ARG A 31 -6.183 14.045 7.758 1.00 0.00 O ATOM 512 CB ARG A 31 -4.590 11.597 9.064 1.00 0.00 C ATOM 513 CG ARG A 31 -4.158 12.397 10.295 1.00 0.00 C ATOM 514 CD ARG A 31 -2.931 11.766 10.956 1.00 0.00 C ATOM 515 NE ARG A 31 -2.634 12.452 12.234 1.00 0.00 N ATOM 516 CZ ARG A 31 -1.574 12.166 13.018 1.00 0.00 C ATOM 517 NH1 ARG A 31 -0.699 11.202 12.662 1.00 0.00 N ATOM 518 NH2 ARG A 31 -1.406 12.843 14.139 1.00 0.00 N ATOM 0 H ARG A 31 -6.163 9.906 7.963 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.550 12.285 9.604 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.435 10.533 9.244 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.968 11.870 8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.932 13.423 10.005 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.979 12.441 11.011 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.110 10.706 11.136 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.072 11.836 10.288 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.271 13.187 12.541 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.837 10.683 11.794 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.100 10.992 13.260 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.072 13.570 14.401 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.610 12.639 14.743 1.00 0.00 H new ATOM 531 N LEU A 32 -6.182 12.267 6.360 1.00 0.00 N ATOM 532 CA LEU A 32 -6.264 13.074 5.155 1.00 0.00 C ATOM 533 C LEU A 32 -7.721 13.476 4.913 1.00 0.00 C ATOM 534 O LEU A 32 -7.991 14.482 4.261 1.00 0.00 O ATOM 535 CB LEU A 32 -5.625 12.341 3.974 1.00 0.00 C ATOM 536 CG LEU A 32 -4.105 12.465 3.849 1.00 0.00 C ATOM 537 CD1 LEU A 32 -3.415 12.090 5.162 1.00 0.00 C ATOM 538 CD2 LEU A 32 -3.582 11.641 2.670 1.00 0.00 C ATOM 0 H LEU A 32 -6.154 11.260 6.198 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.694 13.995 5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.878 11.283 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.077 12.713 3.054 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.863 13.508 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.335 12.187 5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.756 12.755 5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.661 11.060 5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.499 11.747 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.836 10.591 2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.038 11.997 1.746 1.00 0.00 H new ATOM 550 N GLY A 33 -8.621 12.668 5.455 1.00 0.00 N ATOM 551 CA GLY A 33 -10.043 12.927 5.307 1.00 0.00 C ATOM 552 C GLY A 33 -10.596 12.247 4.052 1.00 0.00 C ATOM 553 O GLY A 33 -11.641 12.643 3.537 1.00 0.00 O ATOM 0 H GLY A 33 -8.393 11.834 5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.576 12.565 6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.217 14.002 5.249 1.00 0.00 H new ATOM 557 N MET A 34 -9.871 11.238 3.596 1.00 0.00 N ATOM 558 CA MET A 34 -10.275 10.500 2.410 1.00 0.00 C ATOM 559 C MET A 34 -9.954 9.012 2.555 1.00 0.00 C ATOM 560 O MET A 34 -9.025 8.640 3.270 1.00 0.00 O ATOM 561 CB MET A 34 -9.549 11.062 1.186 1.00 0.00 C ATOM 562 CG MET A 34 -9.947 12.518 0.933 1.00 0.00 C ATOM 563 SD MET A 34 -8.800 13.615 1.751 1.00 0.00 S ATOM 564 CE MET A 34 -7.525 13.715 0.506 1.00 0.00 C ATOM 0 H MET A 34 -9.005 10.913 4.026 1.00 0.00 H new ATOM 0 HA MET A 34 -11.352 10.610 2.286 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.471 10.997 1.336 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.786 10.459 0.309 1.00 0.00 H new ATOM 0 HG2 MET A 34 -9.956 12.720 -0.138 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.958 12.696 1.299 1.00 0.00 H new ATOM 0 HE1 MET A 34 -6.647 13.161 0.839 1.00 0.00 H new ATOM 0 HE2 MET A 34 -7.893 13.287 -0.426 1.00 0.00 H new ATOM 0 HE3 MET A 34 -7.255 14.759 0.344 1.00 0.00 H new ATOM 574 N MET A 35 -10.741 8.199 1.864 1.00 0.00 N ATOM 575 CA MET A 35 -10.552 6.758 1.907 1.00 0.00 C ATOM 576 C MET A 35 -9.621 6.295 0.785 1.00 0.00 C ATOM 577 O MET A 35 -9.934 6.457 -0.394 1.00 0.00 O ATOM 578 CB MET A 35 -11.907 6.062 1.768 1.00 0.00 C ATOM 579 CG MET A 35 -12.100 5.016 2.867 1.00 0.00 C ATOM 580 SD MET A 35 -12.981 5.733 4.245 1.00 0.00 S ATOM 581 CE MET A 35 -14.502 6.197 3.432 1.00 0.00 C ATOM 0 H MET A 35 -11.511 8.511 1.271 1.00 0.00 H new ATOM 0 HA MET A 35 -10.096 6.497 2.862 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.707 6.801 1.820 1.00 0.00 H new ATOM 0 HB3 MET A 35 -11.976 5.585 0.790 1.00 0.00 H new ATOM 0 HG2 MET A 35 -12.654 4.163 2.475 1.00 0.00 H new ATOM 0 HG3 MET A 35 -11.131 4.642 3.199 1.00 0.00 H new ATOM 0 HE1 MET A 35 -15.341 6.035 4.109 1.00 0.00 H new ATOM 0 HE2 MET A 35 -14.459 7.250 3.153 1.00 0.00 H new ATOM 0 HE3 MET A 35 -14.636 5.590 2.537 1.00 0.00 H new ATOM 591 N THR A 36 -8.495 5.726 1.191 1.00 0.00 N ATOM 592 CA THR A 36 -7.516 5.238 0.234 1.00 0.00 C ATOM 593 C THR A 36 -7.933 3.867 -0.302 1.00 0.00 C ATOM 594 O THR A 36 -8.708 3.156 0.338 1.00 0.00 O ATOM 595 CB THR A 36 -6.148 5.233 0.918 1.00 0.00 C ATOM 596 OG1 THR A 36 -6.164 4.052 1.717 1.00 0.00 O ATOM 597 CG2 THR A 36 -5.997 6.367 1.933 1.00 0.00 C ATOM 0 H THR A 36 -8.239 5.592 2.169 1.00 0.00 H new ATOM 0 HA THR A 36 -7.456 5.889 -0.638 1.00 0.00 H new ATOM 0 HB THR A 36 -5.365 5.314 0.164 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.313 3.969 2.195 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.008 6.318 2.389 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.116 7.326 1.428 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.759 6.267 2.706 1.00 0.00 H new ATOM 605 N THR A 37 -7.400 3.536 -1.468 1.00 0.00 N ATOM 606 CA THR A 37 -7.708 2.262 -2.098 1.00 0.00 C ATOM 607 C THR A 37 -6.425 1.585 -2.584 1.00 0.00 C ATOM 608 O THR A 37 -5.364 2.206 -2.615 1.00 0.00 O ATOM 609 CB THR A 37 -8.721 2.518 -3.213 1.00 0.00 C ATOM 610 OG1 THR A 37 -9.981 2.519 -2.547 1.00 0.00 O ATOM 611 CG2 THR A 37 -8.820 1.348 -4.195 1.00 0.00 C ATOM 0 H THR A 37 -6.757 4.127 -1.994 1.00 0.00 H new ATOM 0 HA THR A 37 -8.156 1.567 -1.388 1.00 0.00 H new ATOM 0 HB THR A 37 -8.443 3.423 -3.753 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.695 2.680 -3.198 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.553 1.582 -4.967 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.848 1.178 -4.658 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.129 0.450 -3.661 1.00 0.00 H new ATOM 619 N VAL A 38 -6.566 0.320 -2.953 1.00 0.00 N ATOM 620 CA VAL A 38 -5.430 -0.448 -3.438 1.00 0.00 C ATOM 621 C VAL A 38 -5.827 -1.181 -4.721 1.00 0.00 C ATOM 622 O VAL A 38 -6.325 -2.305 -4.669 1.00 0.00 O ATOM 623 CB VAL A 38 -4.930 -1.390 -2.341 1.00 0.00 C ATOM 624 CG1 VAL A 38 -3.932 -2.404 -2.904 1.00 0.00 C ATOM 625 CG2 VAL A 38 -4.318 -0.604 -1.180 1.00 0.00 C ATOM 0 H VAL A 38 -7.448 -0.192 -2.926 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.599 0.212 -3.685 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.787 -1.942 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.592 -3.062 -2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.415 -2.997 -3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.078 -1.877 -3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.971 -1.298 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.477 -0.014 -1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.070 0.060 -0.754 1.00 0.00 H new ATOM 635 N SER A 39 -5.592 -0.516 -5.842 1.00 0.00 N ATOM 636 CA SER A 39 -5.918 -1.089 -7.136 1.00 0.00 C ATOM 637 C SER A 39 -4.684 -1.767 -7.735 1.00 0.00 C ATOM 638 O SER A 39 -4.632 -2.021 -8.936 1.00 0.00 O ATOM 639 CB SER A 39 -6.454 -0.023 -8.093 1.00 0.00 C ATOM 640 OG SER A 39 -7.594 -0.479 -8.817 1.00 0.00 O ATOM 0 H SER A 39 -5.179 0.416 -5.881 1.00 0.00 H new ATOM 0 HA SER A 39 -6.700 -1.834 -6.991 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.717 0.871 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.670 0.262 -8.794 1.00 0.00 H new ATOM 0 HG SER A 39 -7.907 0.231 -9.416 1.00 0.00 H new ATOM 646 N GLY A 40 -3.720 -2.040 -6.867 1.00 0.00 N ATOM 647 CA GLY A 40 -2.489 -2.682 -7.295 1.00 0.00 C ATOM 648 C GLY A 40 -1.690 -3.192 -6.094 1.00 0.00 C ATOM 649 O GLY A 40 -1.480 -2.460 -5.128 1.00 0.00 O ATOM 0 H GLY A 40 -3.767 -1.828 -5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.721 -3.513 -7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.885 -1.975 -7.864 1.00 0.00 H new ATOM 653 N VAL A 41 -1.266 -4.444 -6.193 1.00 0.00 N ATOM 654 CA VAL A 41 -0.495 -5.059 -5.126 1.00 0.00 C ATOM 655 C VAL A 41 0.569 -5.975 -5.736 1.00 0.00 C ATOM 656 O VAL A 41 0.256 -6.839 -6.553 1.00 0.00 O ATOM 657 CB VAL A 41 -1.430 -5.790 -4.160 1.00 0.00 C ATOM 658 CG1 VAL A 41 -2.356 -6.748 -4.912 1.00 0.00 C ATOM 659 CG2 VAL A 41 -0.634 -6.528 -3.082 1.00 0.00 C ATOM 0 H VAL A 41 -1.442 -5.049 -6.995 1.00 0.00 H new ATOM 0 HA VAL A 41 0.025 -4.299 -4.542 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.052 -5.044 -3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.010 -7.254 -4.202 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.960 -6.186 -5.624 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.759 -7.487 -5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.321 -7.039 -2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.024 -7.259 -3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.037 -5.812 -2.517 1.00 0.00 H new ATOM 669 N GLU A 42 1.806 -5.754 -5.314 1.00 0.00 N ATOM 670 CA GLU A 42 2.918 -6.548 -5.807 1.00 0.00 C ATOM 671 C GLU A 42 3.760 -7.065 -4.639 1.00 0.00 C ATOM 672 O GLU A 42 4.259 -6.281 -3.834 1.00 0.00 O ATOM 673 CB GLU A 42 3.774 -5.744 -6.786 1.00 0.00 C ATOM 674 CG GLU A 42 2.912 -5.128 -7.891 1.00 0.00 C ATOM 675 CD GLU A 42 3.178 -5.808 -9.236 1.00 0.00 C ATOM 676 OE1 GLU A 42 2.319 -6.550 -9.736 1.00 0.00 O ATOM 677 OE2 GLU A 42 4.324 -5.541 -9.765 1.00 0.00 O ATOM 0 H GLU A 42 2.062 -5.036 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 42 2.516 -7.405 -6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.302 -4.956 -6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.531 -6.391 -7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.858 -5.226 -7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.123 -4.062 -7.970 1.00 0.00 H new ATOM 685 N MET A 43 3.892 -8.383 -4.584 1.00 0.00 N ATOM 686 CA MET A 43 4.666 -9.014 -3.528 1.00 0.00 C ATOM 687 C MET A 43 5.671 -10.012 -4.107 1.00 0.00 C ATOM 688 O MET A 43 5.296 -11.109 -4.517 1.00 0.00 O ATOM 689 CB MET A 43 3.722 -9.737 -2.567 1.00 0.00 C ATOM 690 CG MET A 43 2.288 -9.225 -2.715 1.00 0.00 C ATOM 691 SD MET A 43 2.174 -7.550 -2.107 1.00 0.00 S ATOM 692 CE MET A 43 1.736 -7.868 -0.405 1.00 0.00 C ATOM 0 H MET A 43 3.476 -9.031 -5.253 1.00 0.00 H new ATOM 0 HA MET A 43 5.218 -8.240 -2.995 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.751 -10.809 -2.762 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.060 -9.590 -1.541 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.986 -9.262 -3.762 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.604 -9.869 -2.162 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.047 -7.027 0.214 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.657 -7.997 -0.325 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.236 -8.774 -0.064 1.00 0.00 H new ATOM 702 N SER A 44 6.929 -9.596 -4.120 1.00 0.00 N ATOM 703 CA SER A 44 7.991 -10.441 -4.640 1.00 0.00 C ATOM 704 C SER A 44 8.888 -10.919 -3.497 1.00 0.00 C ATOM 705 O SER A 44 9.692 -10.152 -2.972 1.00 0.00 O ATOM 706 CB SER A 44 8.820 -9.697 -5.690 1.00 0.00 C ATOM 707 OG SER A 44 8.777 -10.341 -6.960 1.00 0.00 O ATOM 0 H SER A 44 7.237 -8.685 -3.779 1.00 0.00 H new ATOM 0 HA SER A 44 7.535 -11.307 -5.121 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.449 -8.677 -5.788 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.854 -9.629 -5.353 1.00 0.00 H new ATOM 0 HG SER A 44 9.317 -9.834 -7.602 1.00 0.00 H new ATOM 713 N ARG A 45 8.717 -12.185 -3.145 1.00 0.00 N ATOM 714 CA ARG A 45 9.500 -12.775 -2.074 1.00 0.00 C ATOM 715 C ARG A 45 10.604 -13.664 -2.649 1.00 0.00 C ATOM 716 O ARG A 45 11.438 -14.183 -1.909 1.00 0.00 O ATOM 717 CB ARG A 45 8.619 -13.610 -1.141 1.00 0.00 C ATOM 718 CG ARG A 45 7.190 -13.063 -1.101 1.00 0.00 C ATOM 719 CD ARG A 45 6.664 -13.010 0.334 1.00 0.00 C ATOM 720 NE ARG A 45 5.685 -14.098 0.553 1.00 0.00 N ATOM 721 CZ ARG A 45 4.364 -13.992 0.294 1.00 0.00 C ATOM 722 NH1 ARG A 45 3.852 -12.845 -0.198 1.00 0.00 N ATOM 723 NH2 ARG A 45 3.582 -15.030 0.529 1.00 0.00 N ATOM 0 H ARG A 45 8.048 -12.818 -3.583 1.00 0.00 H new ATOM 0 HA ARG A 45 9.945 -11.960 -1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.606 -14.646 -1.478 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.042 -13.607 -0.136 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.166 -12.065 -1.538 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.539 -13.692 -1.708 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.491 -13.106 1.037 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.196 -12.044 0.523 1.00 0.00 H new ATOM 0 HE ARG A 45 6.030 -14.984 0.923 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.464 -12.049 -0.377 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.853 -12.774 -0.391 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.978 -15.893 0.900 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.582 -14.968 0.339 1.00 0.00 H new ATOM 736 N ASP A 46 10.575 -13.810 -3.966 1.00 0.00 N ATOM 737 CA ASP A 46 11.563 -14.627 -4.652 1.00 0.00 C ATOM 738 C ASP A 46 12.965 -14.175 -4.237 1.00 0.00 C ATOM 739 O ASP A 46 13.928 -14.929 -4.372 1.00 0.00 O ATOM 740 CB ASP A 46 11.446 -14.474 -6.169 1.00 0.00 C ATOM 741 CG ASP A 46 10.145 -15.007 -6.773 1.00 0.00 C ATOM 742 OD1 ASP A 46 9.308 -14.237 -7.267 1.00 0.00 O ATOM 743 OD2 ASP A 46 10.006 -16.288 -6.725 1.00 0.00 O ATOM 0 H ASP A 46 9.883 -13.376 -4.577 1.00 0.00 H new ATOM 0 HA ASP A 46 11.389 -15.668 -4.381 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.540 -13.418 -6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.285 -14.990 -6.637 1.00 0.00 H new ATOM 749 N LEU A 47 13.036 -12.949 -3.742 1.00 0.00 N ATOM 750 CA LEU A 47 14.305 -12.389 -3.308 1.00 0.00 C ATOM 751 C LEU A 47 14.063 -11.438 -2.134 1.00 0.00 C ATOM 752 O LEU A 47 14.419 -11.746 -0.998 1.00 0.00 O ATOM 753 CB LEU A 47 15.035 -11.740 -4.485 1.00 0.00 C ATOM 754 CG LEU A 47 16.252 -12.498 -5.020 1.00 0.00 C ATOM 755 CD1 LEU A 47 16.184 -12.637 -6.543 1.00 0.00 C ATOM 756 CD2 LEU A 47 17.554 -11.837 -4.563 1.00 0.00 C ATOM 0 H LEU A 47 12.235 -12.327 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 47 14.966 -13.177 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.324 -11.611 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.357 -10.743 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 47 16.238 -13.505 -4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 47 17.060 -13.179 -6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.282 -13.184 -6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.161 -11.647 -6.998 1.00 0.00 H new ATOM 0 HD21 LEU A 47 18.403 -12.395 -4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.591 -10.812 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 47 17.597 -11.832 -3.474 1.00 0.00 H new ATOM 768 N ALA A 48 13.457 -10.302 -2.450 1.00 0.00 N ATOM 769 CA ALA A 48 13.164 -9.304 -1.435 1.00 0.00 C ATOM 770 C ALA A 48 12.734 -8.003 -2.115 1.00 0.00 C ATOM 771 O ALA A 48 13.397 -6.976 -1.975 1.00 0.00 O ATOM 772 CB ALA A 48 14.386 -9.115 -0.534 1.00 0.00 C ATOM 0 H ALA A 48 13.161 -10.051 -3.393 1.00 0.00 H new ATOM 0 HA ALA A 48 12.341 -9.633 -0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.165 -8.366 0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.632 -10.061 -0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 48 15.233 -8.783 -1.134 1.00 0.00 H new ATOM 778 N TYR A 49 11.626 -8.088 -2.838 1.00 0.00 N ATOM 779 CA TYR A 49 11.101 -6.930 -3.541 1.00 0.00 C ATOM 780 C TYR A 49 9.572 -6.980 -3.612 1.00 0.00 C ATOM 781 O TYR A 49 8.989 -8.053 -3.748 1.00 0.00 O ATOM 782 CB TYR A 49 11.668 -7.004 -4.960 1.00 0.00 C ATOM 783 CG TYR A 49 13.104 -7.527 -5.029 1.00 0.00 C ATOM 784 CD1 TYR A 49 14.119 -6.846 -4.389 1.00 0.00 C ATOM 785 CD2 TYR A 49 13.385 -8.682 -5.730 1.00 0.00 C ATOM 786 CE1 TYR A 49 15.470 -7.337 -4.453 1.00 0.00 C ATOM 787 CE2 TYR A 49 14.736 -9.175 -5.797 1.00 0.00 C ATOM 788 CZ TYR A 49 15.713 -8.478 -5.155 1.00 0.00 C ATOM 789 OH TYR A 49 16.989 -8.943 -5.216 1.00 0.00 O ATOM 0 H TYR A 49 11.078 -8.941 -2.952 1.00 0.00 H new ATOM 0 HA TYR A 49 11.380 -6.010 -3.028 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.028 -7.648 -5.563 1.00 0.00 H new ATOM 0 HB3 TYR A 49 11.632 -6.011 -5.407 1.00 0.00 H new ATOM 0 HD1 TYR A 49 13.899 -5.943 -3.839 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.590 -9.217 -6.229 1.00 0.00 H new ATOM 0 HE1 TYR A 49 16.273 -6.813 -3.956 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.969 -10.077 -6.344 1.00 0.00 H new ATOM 0 HH TYR A 49 17.469 -8.690 -4.400 1.00 0.00 H new ATOM 799 N ALA A 50 8.970 -5.804 -3.519 1.00 0.00 N ATOM 800 CA ALA A 50 7.522 -5.700 -3.570 1.00 0.00 C ATOM 801 C ALA A 50 7.131 -4.278 -3.983 1.00 0.00 C ATOM 802 O ALA A 50 7.950 -3.363 -3.916 1.00 0.00 O ATOM 803 CB ALA A 50 6.931 -6.096 -2.215 1.00 0.00 C ATOM 0 H ALA A 50 9.458 -4.915 -3.409 1.00 0.00 H new ATOM 0 HA ALA A 50 7.115 -6.384 -4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.845 -6.017 -2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.212 -7.123 -1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.315 -5.430 -1.442 1.00 0.00 H new ATOM 809 N LYS A 51 5.880 -4.140 -4.399 1.00 0.00 N ATOM 810 CA LYS A 51 5.372 -2.846 -4.822 1.00 0.00 C ATOM 811 C LYS A 51 3.871 -2.775 -4.536 1.00 0.00 C ATOM 812 O LYS A 51 3.076 -3.440 -5.200 1.00 0.00 O ATOM 813 CB LYS A 51 5.734 -2.580 -6.284 1.00 0.00 C ATOM 814 CG LYS A 51 6.664 -3.667 -6.825 1.00 0.00 C ATOM 815 CD LYS A 51 6.954 -3.450 -8.312 1.00 0.00 C ATOM 816 CE LYS A 51 8.443 -3.180 -8.547 1.00 0.00 C ATOM 817 NZ LYS A 51 8.895 -3.821 -9.801 1.00 0.00 N ATOM 0 H LYS A 51 5.204 -4.902 -4.452 1.00 0.00 H new ATOM 0 HA LYS A 51 5.844 -2.046 -4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.826 -2.541 -6.886 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.217 -1.607 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.599 -3.663 -6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.208 -4.646 -6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.646 -4.329 -8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.366 -2.610 -8.682 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.620 -2.106 -8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.024 -3.561 -7.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.907 -3.628 -9.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.744 -4.848 -9.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.352 -3.438 -10.602 1.00 0.00 H new ATOM 830 N VAL A 52 3.527 -1.963 -3.547 1.00 0.00 N ATOM 831 CA VAL A 52 2.135 -1.797 -3.165 1.00 0.00 C ATOM 832 C VAL A 52 1.627 -0.449 -3.678 1.00 0.00 C ATOM 833 O VAL A 52 2.275 0.579 -3.479 1.00 0.00 O ATOM 834 CB VAL A 52 1.984 -1.957 -1.650 1.00 0.00 C ATOM 835 CG1 VAL A 52 2.435 -0.690 -0.918 1.00 0.00 C ATOM 836 CG2 VAL A 52 0.547 -2.323 -1.278 1.00 0.00 C ATOM 0 H VAL A 52 4.188 -1.413 -2.999 1.00 0.00 H new ATOM 0 HA VAL A 52 1.519 -2.571 -3.622 1.00 0.00 H new ATOM 0 HB VAL A 52 2.630 -2.776 -1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.318 -0.829 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.482 -0.491 -1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.827 0.154 -1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.467 -2.431 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.128 -1.536 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.275 -3.264 -1.757 1.00 0.00 H new ATOM 846 N TYR A 53 0.474 -0.493 -4.327 1.00 0.00 N ATOM 847 CA TYR A 53 -0.127 0.713 -4.870 1.00 0.00 C ATOM 848 C TYR A 53 -1.258 1.214 -3.970 1.00 0.00 C ATOM 849 O TYR A 53 -1.991 0.417 -3.386 1.00 0.00 O ATOM 850 CB TYR A 53 -0.708 0.319 -6.230 1.00 0.00 C ATOM 851 CG TYR A 53 -0.258 1.217 -7.384 1.00 0.00 C ATOM 852 CD1 TYR A 53 -0.225 2.588 -7.218 1.00 0.00 C ATOM 853 CD2 TYR A 53 0.116 0.659 -8.588 1.00 0.00 C ATOM 854 CE1 TYR A 53 0.200 3.434 -8.304 1.00 0.00 C ATOM 855 CE2 TYR A 53 0.540 1.504 -9.673 1.00 0.00 C ATOM 856 CZ TYR A 53 0.561 2.849 -9.478 1.00 0.00 C ATOM 857 OH TYR A 53 0.963 3.649 -10.503 1.00 0.00 O ATOM 0 H TYR A 53 -0.061 -1.346 -4.490 1.00 0.00 H new ATOM 0 HA TYR A 53 0.613 1.510 -4.947 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.422 -0.709 -6.451 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.796 0.342 -6.169 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.518 3.025 -6.275 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.091 -0.413 -8.717 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.231 4.507 -8.189 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.835 1.079 -10.621 1.00 0.00 H new ATOM 0 HH TYR A 53 0.546 4.531 -10.412 1.00 0.00 H new ATOM 867 N VAL A 54 -1.367 2.532 -3.889 1.00 0.00 N ATOM 868 CA VAL A 54 -2.396 3.149 -3.070 1.00 0.00 C ATOM 869 C VAL A 54 -2.890 4.424 -3.755 1.00 0.00 C ATOM 870 O VAL A 54 -2.105 5.331 -4.026 1.00 0.00 O ATOM 871 CB VAL A 54 -1.863 3.397 -1.658 1.00 0.00 C ATOM 872 CG1 VAL A 54 -2.264 2.262 -0.712 1.00 0.00 C ATOM 873 CG2 VAL A 54 -0.345 3.589 -1.669 1.00 0.00 C ATOM 0 H VAL A 54 -0.759 3.190 -4.377 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.252 2.483 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.315 4.318 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.872 2.464 0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.351 2.192 -0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.855 1.321 -1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.007 3.764 -0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.132 2.695 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.091 4.446 -2.293 1.00 0.00 H new ATOM 883 N THR A 55 -4.189 4.453 -4.015 1.00 0.00 N ATOM 884 CA THR A 55 -4.797 5.603 -4.664 1.00 0.00 C ATOM 885 C THR A 55 -5.605 6.420 -3.653 1.00 0.00 C ATOM 886 O THR A 55 -6.410 5.868 -2.906 1.00 0.00 O ATOM 887 CB THR A 55 -5.634 5.095 -5.840 1.00 0.00 C ATOM 888 OG1 THR A 55 -6.668 6.065 -5.976 1.00 0.00 O ATOM 889 CG2 THR A 55 -6.380 3.799 -5.512 1.00 0.00 C ATOM 0 H THR A 55 -4.837 3.699 -3.788 1.00 0.00 H new ATOM 0 HA THR A 55 -4.040 6.283 -5.054 1.00 0.00 H new ATOM 0 HB THR A 55 -4.987 4.933 -6.702 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.319 6.851 -6.446 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.958 3.482 -6.380 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.662 3.022 -5.251 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.052 3.969 -4.671 1.00 0.00 H new ATOM 897 N PHE A 56 -5.359 7.721 -3.663 1.00 0.00 N ATOM 898 CA PHE A 56 -6.052 8.620 -2.756 1.00 0.00 C ATOM 899 C PHE A 56 -6.773 9.728 -3.528 1.00 0.00 C ATOM 900 O PHE A 56 -6.489 9.958 -4.701 1.00 0.00 O ATOM 901 CB PHE A 56 -4.991 9.253 -1.853 1.00 0.00 C ATOM 902 CG PHE A 56 -3.965 8.257 -1.307 1.00 0.00 C ATOM 903 CD1 PHE A 56 -3.025 7.726 -2.134 1.00 0.00 C ATOM 904 CD2 PHE A 56 -3.995 7.901 0.005 1.00 0.00 C ATOM 905 CE1 PHE A 56 -2.073 6.803 -1.626 1.00 0.00 C ATOM 906 CE2 PHE A 56 -3.045 6.977 0.514 1.00 0.00 C ATOM 907 CZ PHE A 56 -2.103 6.447 -0.314 1.00 0.00 C ATOM 0 H PHE A 56 -4.690 8.175 -4.285 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.797 8.068 -2.183 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.468 10.028 -2.413 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.487 9.744 -1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.003 8.006 -3.177 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.743 8.322 0.661 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.325 6.383 -2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.069 6.695 1.556 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.380 5.744 0.071 1.00 0.00 H new ATOM 917 N LEU A 57 -7.694 10.385 -2.836 1.00 0.00 N ATOM 918 CA LEU A 57 -8.457 11.462 -3.441 1.00 0.00 C ATOM 919 C LEU A 57 -7.793 12.800 -3.111 1.00 0.00 C ATOM 920 O LEU A 57 -8.407 13.855 -3.259 1.00 0.00 O ATOM 921 CB LEU A 57 -9.925 11.383 -3.014 1.00 0.00 C ATOM 922 CG LEU A 57 -10.917 12.166 -3.877 1.00 0.00 C ATOM 923 CD1 LEU A 57 -11.136 11.475 -5.225 1.00 0.00 C ATOM 924 CD2 LEU A 57 -12.232 12.395 -3.129 1.00 0.00 C ATOM 0 H LEU A 57 -7.928 10.191 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.458 11.365 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.226 10.335 -3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.004 11.742 -1.988 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.490 13.147 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.845 12.052 -5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.187 11.407 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.532 10.473 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.919 12.954 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.676 11.434 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.039 12.961 -2.218 1.00 0.00 H new ATOM 936 N ASN A 58 -6.546 12.713 -2.671 1.00 0.00 N ATOM 937 CA ASN A 58 -5.791 13.903 -2.321 1.00 0.00 C ATOM 938 C ASN A 58 -5.716 14.831 -3.535 1.00 0.00 C ATOM 939 O ASN A 58 -5.657 16.050 -3.387 1.00 0.00 O ATOM 940 CB ASN A 58 -4.362 13.548 -1.907 1.00 0.00 C ATOM 941 CG ASN A 58 -4.198 13.612 -0.387 1.00 0.00 C ATOM 942 OD1 ASN A 58 -3.659 12.718 0.243 1.00 0.00 O ATOM 943 ND2 ASN A 58 -4.692 14.718 0.163 1.00 0.00 N ATOM 0 H ASN A 58 -6.040 11.836 -2.549 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.297 14.389 -1.487 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.115 12.547 -2.261 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.661 14.235 -2.381 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.632 14.857 1.172 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.131 15.427 -0.424 1.00 0.00 H new ATOM 950 N ASP A 59 -5.719 14.217 -4.709 1.00 0.00 N ATOM 951 CA ASP A 59 -5.651 14.972 -5.949 1.00 0.00 C ATOM 952 C ASP A 59 -6.498 16.239 -5.816 1.00 0.00 C ATOM 953 O ASP A 59 -6.081 17.317 -6.238 1.00 0.00 O ATOM 954 CB ASP A 59 -6.199 14.156 -7.122 1.00 0.00 C ATOM 955 CG ASP A 59 -6.715 14.985 -8.300 1.00 0.00 C ATOM 956 OD1 ASP A 59 -5.929 15.530 -9.090 1.00 0.00 O ATOM 957 OD2 ASP A 59 -7.999 15.061 -8.392 1.00 0.00 O ATOM 0 H ASP A 59 -5.767 13.205 -4.828 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.606 15.217 -6.138 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.413 13.491 -7.481 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.010 13.524 -6.759 1.00 0.00 H new ATOM 963 N LYS A 60 -7.673 16.068 -5.227 1.00 0.00 N ATOM 964 CA LYS A 60 -8.583 17.183 -5.035 1.00 0.00 C ATOM 965 C LYS A 60 -7.782 18.429 -4.652 1.00 0.00 C ATOM 966 O LYS A 60 -8.048 19.521 -5.152 1.00 0.00 O ATOM 967 CB LYS A 60 -9.672 16.818 -4.023 1.00 0.00 C ATOM 968 CG LYS A 60 -10.935 16.325 -4.733 1.00 0.00 C ATOM 969 CD LYS A 60 -12.191 16.921 -4.091 1.00 0.00 C ATOM 970 CE LYS A 60 -12.729 16.009 -2.989 1.00 0.00 C ATOM 971 NZ LYS A 60 -13.801 16.689 -2.229 1.00 0.00 N ATOM 0 H LYS A 60 -8.015 15.173 -4.877 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.106 17.412 -5.964 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.303 16.044 -3.349 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.910 17.687 -3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.895 16.600 -5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.981 15.237 -4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.961 17.902 -3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.957 17.069 -4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.114 15.088 -3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.920 15.727 -2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.155 16.055 -1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.423 17.555 -1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.580 16.936 -2.872 1.00 0.00 H new ATOM 984 N ASP A 61 -6.815 18.223 -3.768 1.00 0.00 N ATOM 985 CA ASP A 61 -5.973 19.316 -3.313 1.00 0.00 C ATOM 986 C ASP A 61 -4.503 18.930 -3.490 1.00 0.00 C ATOM 987 O ASP A 61 -4.030 17.975 -2.876 1.00 0.00 O ATOM 988 CB ASP A 61 -6.208 19.612 -1.830 1.00 0.00 C ATOM 989 CG ASP A 61 -7.590 19.221 -1.304 1.00 0.00 C ATOM 990 OD1 ASP A 61 -8.622 19.706 -1.792 1.00 0.00 O ATOM 991 OD2 ASP A 61 -7.584 18.365 -0.337 1.00 0.00 O ATOM 0 H ASP A 61 -6.597 17.316 -3.356 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.221 20.199 -3.901 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.452 19.087 -1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.059 20.678 -1.660 1.00 0.00 H new ATOM 997 N GLU A 62 -3.822 19.692 -4.333 1.00 0.00 N ATOM 998 CA GLU A 62 -2.415 19.442 -4.599 1.00 0.00 C ATOM 999 C GLU A 62 -1.581 19.718 -3.347 1.00 0.00 C ATOM 1000 O GLU A 62 -0.456 19.237 -3.227 1.00 0.00 O ATOM 1001 CB GLU A 62 -1.924 20.278 -5.782 1.00 0.00 C ATOM 1002 CG GLU A 62 -0.647 19.683 -6.380 1.00 0.00 C ATOM 1003 CD GLU A 62 -0.347 20.297 -7.750 1.00 0.00 C ATOM 1004 OE1 GLU A 62 -1.206 20.982 -8.324 1.00 0.00 O ATOM 1005 OE2 GLU A 62 0.828 20.039 -8.217 1.00 0.00 O ATOM 0 H GLU A 62 -4.218 20.483 -4.841 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.296 18.392 -4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.700 20.325 -6.546 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.735 21.301 -5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.191 19.860 -5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.755 18.603 -6.477 1.00 0.00 H new ATOM 1013 N ASP A 63 -2.165 20.494 -2.445 1.00 0.00 N ATOM 1014 CA ASP A 63 -1.488 20.841 -1.206 1.00 0.00 C ATOM 1015 C ASP A 63 -1.458 19.617 -0.288 1.00 0.00 C ATOM 1016 O ASP A 63 -0.437 19.332 0.336 1.00 0.00 O ATOM 1017 CB ASP A 63 -2.225 21.964 -0.474 1.00 0.00 C ATOM 1018 CG ASP A 63 -1.349 23.148 -0.060 1.00 0.00 C ATOM 1019 OD1 ASP A 63 -1.181 24.115 -0.818 1.00 0.00 O ATOM 1020 OD2 ASP A 63 -0.819 23.051 1.113 1.00 0.00 O ATOM 0 H ASP A 63 -3.099 20.892 -2.547 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.479 21.172 -1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.027 22.331 -1.115 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.695 21.549 0.418 1.00 0.00 H new ATOM 1026 N ALA A 64 -2.588 18.929 -0.235 1.00 0.00 N ATOM 1027 CA ALA A 64 -2.702 17.743 0.597 1.00 0.00 C ATOM 1028 C ALA A 64 -2.076 16.551 -0.131 1.00 0.00 C ATOM 1029 O ALA A 64 -1.725 15.553 0.494 1.00 0.00 O ATOM 1030 CB ALA A 64 -4.172 17.505 0.947 1.00 0.00 C ATOM 0 H ALA A 64 -3.433 19.169 -0.754 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.161 17.878 1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.258 16.615 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.561 18.367 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.746 17.363 0.031 1.00 0.00 H new ATOM 1036 N VAL A 65 -1.957 16.697 -1.443 1.00 0.00 N ATOM 1037 CA VAL A 65 -1.379 15.644 -2.263 1.00 0.00 C ATOM 1038 C VAL A 65 0.136 15.621 -2.061 1.00 0.00 C ATOM 1039 O VAL A 65 0.733 14.552 -1.940 1.00 0.00 O ATOM 1040 CB VAL A 65 -1.784 15.841 -3.725 1.00 0.00 C ATOM 1041 CG1 VAL A 65 -0.611 16.369 -4.554 1.00 0.00 C ATOM 1042 CG2 VAL A 65 -2.334 14.542 -4.321 1.00 0.00 C ATOM 0 H VAL A 65 -2.250 17.527 -1.958 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.762 14.669 -1.961 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.578 16.587 -3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.927 16.500 -5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.283 17.327 -4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.213 15.657 -4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.615 14.709 -5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.569 13.767 -4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.210 14.224 -3.755 1.00 0.00 H new ATOM 1052 N LYS A 66 0.716 16.812 -2.028 1.00 0.00 N ATOM 1053 CA LYS A 66 2.152 16.940 -1.842 1.00 0.00 C ATOM 1054 C LYS A 66 2.500 16.656 -0.379 1.00 0.00 C ATOM 1055 O LYS A 66 3.355 15.821 -0.092 1.00 0.00 O ATOM 1056 CB LYS A 66 2.635 18.306 -2.336 1.00 0.00 C ATOM 1057 CG LYS A 66 3.772 18.151 -3.348 1.00 0.00 C ATOM 1058 CD LYS A 66 3.868 19.379 -4.255 1.00 0.00 C ATOM 1059 CE LYS A 66 4.092 18.969 -5.712 1.00 0.00 C ATOM 1060 NZ LYS A 66 5.514 19.143 -6.087 1.00 0.00 N ATOM 0 H LYS A 66 0.218 17.697 -2.127 1.00 0.00 H new ATOM 0 HA LYS A 66 2.682 16.202 -2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.806 18.845 -2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.975 18.904 -1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.716 18.008 -2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.607 17.259 -3.953 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.953 19.967 -4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.687 20.017 -3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.797 17.929 -5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.461 19.570 -6.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.649 18.860 -7.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.784 20.141 -5.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.110 18.550 -5.474 1.00 0.00 H new ATOM 1073 N ALA A 67 1.817 17.367 0.506 1.00 0.00 N ATOM 1074 CA ALA A 67 2.044 17.201 1.932 1.00 0.00 C ATOM 1075 C ALA A 67 1.658 15.780 2.344 1.00 0.00 C ATOM 1076 O ALA A 67 2.454 15.070 2.956 1.00 0.00 O ATOM 1077 CB ALA A 67 1.255 18.264 2.701 1.00 0.00 C ATOM 0 H ALA A 67 1.107 18.058 0.264 1.00 0.00 H new ATOM 0 HA ALA A 67 3.099 17.339 2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.425 18.140 3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.586 19.256 2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.192 18.154 2.487 1.00 0.00 H new ATOM 1083 N GLY A 68 0.436 15.405 1.991 1.00 0.00 N ATOM 1084 CA GLY A 68 -0.064 14.081 2.316 1.00 0.00 C ATOM 1085 C GLY A 68 0.904 12.997 1.837 1.00 0.00 C ATOM 1086 O GLY A 68 1.431 12.229 2.641 1.00 0.00 O ATOM 0 H GLY A 68 -0.222 15.996 1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.206 13.996 3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.040 13.933 1.853 1.00 0.00 H new ATOM 1090 N ILE A 69 1.107 12.967 0.528 1.00 0.00 N ATOM 1091 CA ILE A 69 2.001 11.991 -0.069 1.00 0.00 C ATOM 1092 C ILE A 69 3.385 12.114 0.572 1.00 0.00 C ATOM 1093 O ILE A 69 4.123 11.133 0.657 1.00 0.00 O ATOM 1094 CB ILE A 69 2.014 12.135 -1.592 1.00 0.00 C ATOM 1095 CG1 ILE A 69 2.330 10.799 -2.268 1.00 0.00 C ATOM 1096 CG2 ILE A 69 2.977 13.240 -2.030 1.00 0.00 C ATOM 1097 CD1 ILE A 69 2.406 10.957 -3.787 1.00 0.00 C ATOM 0 H ILE A 69 0.667 13.604 -0.136 1.00 0.00 H new ATOM 0 HA ILE A 69 1.646 10.980 0.129 1.00 0.00 H new ATOM 0 HB ILE A 69 1.016 12.430 -1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.277 10.412 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.563 10.068 -2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.967 13.321 -3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.666 14.188 -1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.985 12.998 -1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.632 9.993 -4.242 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.450 11.321 -4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.191 11.670 -4.040 1.00 0.00 H new ATOM 1109 N LYS A 70 3.696 13.326 1.005 1.00 0.00 N ATOM 1110 CA LYS A 70 4.977 13.589 1.637 1.00 0.00 C ATOM 1111 C LYS A 70 5.038 12.863 2.981 1.00 0.00 C ATOM 1112 O LYS A 70 6.104 12.416 3.402 1.00 0.00 O ATOM 1113 CB LYS A 70 5.225 15.096 1.740 1.00 0.00 C ATOM 1114 CG LYS A 70 5.945 15.620 0.495 1.00 0.00 C ATOM 1115 CD LYS A 70 5.913 17.149 0.448 1.00 0.00 C ATOM 1116 CE LYS A 70 7.213 17.705 -0.137 1.00 0.00 C ATOM 1117 NZ LYS A 70 7.253 19.179 -0.004 1.00 0.00 N ATOM 0 H LYS A 70 3.083 14.138 0.931 1.00 0.00 H new ATOM 0 HA LYS A 70 5.790 13.196 1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.275 15.617 1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.822 15.310 2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.979 15.274 0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.473 15.215 -0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.067 17.481 -0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.763 17.545 1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.067 17.264 0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.294 17.426 -1.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.142 19.540 -0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.448 19.596 -0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.197 19.438 1.002 1.00 0.00 H new ATOM 1130 N ALA A 71 3.881 12.768 3.620 1.00 0.00 N ATOM 1131 CA ALA A 71 3.790 12.104 4.908 1.00 0.00 C ATOM 1132 C ALA A 71 3.765 10.590 4.696 1.00 0.00 C ATOM 1133 O ALA A 71 4.403 9.845 5.439 1.00 0.00 O ATOM 1134 CB ALA A 71 2.554 12.607 5.656 1.00 0.00 C ATOM 0 H ALA A 71 2.999 13.140 3.269 1.00 0.00 H new ATOM 0 HA ALA A 71 4.660 12.337 5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.486 12.108 6.623 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.634 13.683 5.808 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.661 12.388 5.071 1.00 0.00 H new ATOM 1140 N LEU A 72 3.021 10.179 3.679 1.00 0.00 N ATOM 1141 CA LEU A 72 2.905 8.766 3.360 1.00 0.00 C ATOM 1142 C LEU A 72 4.235 8.264 2.795 1.00 0.00 C ATOM 1143 O LEU A 72 4.530 7.071 2.860 1.00 0.00 O ATOM 1144 CB LEU A 72 1.712 8.523 2.432 1.00 0.00 C ATOM 1145 CG LEU A 72 0.730 7.436 2.875 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -0.292 7.991 3.868 1.00 0.00 C ATOM 1147 CD2 LEU A 72 0.060 6.779 1.666 1.00 0.00 C ATOM 0 H LEU A 72 2.493 10.800 3.066 1.00 0.00 H new ATOM 0 HA LEU A 72 2.702 8.187 4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.164 9.459 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.092 8.261 1.445 1.00 0.00 H new ATOM 0 HG LEU A 72 1.291 6.659 3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.977 7.198 4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.226 8.373 4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.854 8.799 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.633 6.010 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.485 7.533 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.821 6.326 1.030 1.00 0.00 H new ATOM 1159 N GLN A 73 5.002 9.198 2.252 1.00 0.00 N ATOM 1160 CA GLN A 73 6.293 8.866 1.676 1.00 0.00 C ATOM 1161 C GLN A 73 7.341 8.707 2.778 1.00 0.00 C ATOM 1162 O GLN A 73 8.039 7.696 2.836 1.00 0.00 O ATOM 1163 CB GLN A 73 6.726 9.921 0.656 1.00 0.00 C ATOM 1164 CG GLN A 73 8.013 9.498 -0.058 1.00 0.00 C ATOM 1165 CD GLN A 73 8.997 10.666 -0.149 1.00 0.00 C ATOM 1166 OE1 GLN A 73 8.628 11.806 -0.377 1.00 0.00 O ATOM 1167 NE2 GLN A 73 10.268 10.319 0.039 1.00 0.00 N ATOM 0 H GLN A 73 4.753 10.186 2.199 1.00 0.00 H new ATOM 0 HA GLN A 73 6.200 7.916 1.150 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.932 10.072 -0.076 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.882 10.876 1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 73 8.475 8.669 0.478 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.776 9.138 -1.059 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.509 9.346 0.226 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.002 11.026 -0.004 1.00 0.00 H new ATOM 1176 N GLU A 74 7.420 9.722 3.628 1.00 0.00 N ATOM 1177 CA GLU A 74 8.372 9.707 4.726 1.00 0.00 C ATOM 1178 C GLU A 74 8.082 8.533 5.663 1.00 0.00 C ATOM 1179 O GLU A 74 8.994 8.000 6.293 1.00 0.00 O ATOM 1180 CB GLU A 74 8.349 11.034 5.487 1.00 0.00 C ATOM 1181 CG GLU A 74 7.204 11.065 6.502 1.00 0.00 C ATOM 1182 CD GLU A 74 7.125 12.425 7.197 1.00 0.00 C ATOM 1183 OE1 GLU A 74 6.974 13.458 6.527 1.00 0.00 O ATOM 1184 OE2 GLU A 74 7.224 12.388 8.483 1.00 0.00 O ATOM 0 H GLU A 74 6.840 10.560 3.578 1.00 0.00 H new ATOM 0 HA GLU A 74 9.373 9.579 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.299 11.179 6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.238 11.859 4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.261 10.855 5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.350 10.281 7.245 1.00 0.00 H new ATOM 1192 N ALA A 75 6.812 8.163 5.723 1.00 0.00 N ATOM 1193 CA ALA A 75 6.392 7.062 6.572 1.00 0.00 C ATOM 1194 C ALA A 75 6.379 5.769 5.753 1.00 0.00 C ATOM 1195 O ALA A 75 5.838 4.756 6.195 1.00 0.00 O ATOM 1196 CB ALA A 75 5.025 7.379 7.183 1.00 0.00 C ATOM 0 H ALA A 75 6.059 8.607 5.197 1.00 0.00 H new ATOM 0 HA ALA A 75 7.092 6.924 7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.711 6.552 7.820 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.095 8.289 7.778 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.295 7.521 6.387 1.00 0.00 H new ATOM 1202 N SER A 76 6.978 5.847 4.575 1.00 0.00 N ATOM 1203 CA SER A 76 7.042 4.696 3.690 1.00 0.00 C ATOM 1204 C SER A 76 7.698 3.517 4.412 1.00 0.00 C ATOM 1205 O SER A 76 7.017 2.573 4.810 1.00 0.00 O ATOM 1206 CB SER A 76 7.810 5.027 2.409 1.00 0.00 C ATOM 1207 OG SER A 76 7.020 5.776 1.491 1.00 0.00 O ATOM 0 H SER A 76 7.424 6.689 4.212 1.00 0.00 H new ATOM 0 HA SER A 76 6.024 4.423 3.411 1.00 0.00 H new ATOM 0 HB2 SER A 76 8.707 5.592 2.660 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.138 4.102 1.934 1.00 0.00 H new ATOM 0 HG SER A 76 7.588 6.105 0.763 1.00 0.00 H new ATOM 1213 N GLY A 77 9.011 3.610 4.558 1.00 0.00 N ATOM 1214 CA GLY A 77 9.766 2.563 5.226 1.00 0.00 C ATOM 1215 C GLY A 77 9.084 2.140 6.529 1.00 0.00 C ATOM 1216 O GLY A 77 9.274 1.019 6.997 1.00 0.00 O ATOM 0 H GLY A 77 9.572 4.394 4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.862 1.701 4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.775 2.916 5.438 1.00 0.00 H new ATOM 1220 N PHE A 78 8.305 3.061 7.076 1.00 0.00 N ATOM 1221 CA PHE A 78 7.594 2.799 8.317 1.00 0.00 C ATOM 1222 C PHE A 78 6.465 1.788 8.098 1.00 0.00 C ATOM 1223 O PHE A 78 6.285 0.870 8.898 1.00 0.00 O ATOM 1224 CB PHE A 78 6.990 4.127 8.777 1.00 0.00 C ATOM 1225 CG PHE A 78 7.626 4.692 10.049 1.00 0.00 C ATOM 1226 CD1 PHE A 78 7.130 4.346 11.267 1.00 0.00 C ATOM 1227 CD2 PHE A 78 8.687 5.537 9.962 1.00 0.00 C ATOM 1228 CE1 PHE A 78 7.720 4.869 12.448 1.00 0.00 C ATOM 1229 CE2 PHE A 78 9.277 6.062 11.143 1.00 0.00 C ATOM 1230 CZ PHE A 78 8.781 5.717 12.360 1.00 0.00 C ATOM 0 H PHE A 78 8.150 3.990 6.683 1.00 0.00 H new ATOM 0 HA PHE A 78 8.279 2.386 9.058 1.00 0.00 H new ATOM 0 HB2 PHE A 78 7.093 4.858 7.976 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.922 3.989 8.947 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.288 3.674 11.336 1.00 0.00 H new ATOM 0 HD2 PHE A 78 9.082 5.810 8.994 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.327 4.594 13.416 1.00 0.00 H new ATOM 0 HE2 PHE A 78 10.119 6.735 11.073 1.00 0.00 H new ATOM 0 HZ PHE A 78 9.229 6.116 13.258 1.00 0.00 H new ATOM 1240 N ILE A 79 5.735 1.992 7.011 1.00 0.00 N ATOM 1241 CA ILE A 79 4.629 1.110 6.678 1.00 0.00 C ATOM 1242 C ILE A 79 5.174 -0.278 6.339 1.00 0.00 C ATOM 1243 O ILE A 79 4.583 -1.290 6.714 1.00 0.00 O ATOM 1244 CB ILE A 79 3.772 1.723 5.569 1.00 0.00 C ATOM 1245 CG1 ILE A 79 4.301 1.333 4.187 1.00 0.00 C ATOM 1246 CG2 ILE A 79 3.664 3.239 5.733 1.00 0.00 C ATOM 1247 CD1 ILE A 79 3.847 2.333 3.124 1.00 0.00 C ATOM 0 H ILE A 79 5.887 2.754 6.350 1.00 0.00 H new ATOM 0 HA ILE A 79 3.964 0.991 7.534 1.00 0.00 H new ATOM 0 HB ILE A 79 2.764 1.317 5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.390 1.290 4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.948 0.335 3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.049 3.649 4.931 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.206 3.469 6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.659 3.681 5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.237 2.032 2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.758 2.356 3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.222 3.325 3.374 1.00 0.00 H new ATOM 1259 N ARG A 80 6.295 -0.283 5.630 1.00 0.00 N ATOM 1260 CA ARG A 80 6.926 -1.531 5.236 1.00 0.00 C ATOM 1261 C ARG A 80 7.358 -2.321 6.472 1.00 0.00 C ATOM 1262 O ARG A 80 7.164 -3.535 6.536 1.00 0.00 O ATOM 1263 CB ARG A 80 8.148 -1.274 4.350 1.00 0.00 C ATOM 1264 CG ARG A 80 8.897 -2.576 4.062 1.00 0.00 C ATOM 1265 CD ARG A 80 10.392 -2.422 4.353 1.00 0.00 C ATOM 1266 NE ARG A 80 11.183 -2.832 3.171 1.00 0.00 N ATOM 1267 CZ ARG A 80 12.499 -3.133 3.208 1.00 0.00 C ATOM 1268 NH1 ARG A 80 13.183 -3.072 4.370 1.00 0.00 N ATOM 1269 NH2 ARG A 80 13.105 -3.487 2.090 1.00 0.00 N ATOM 0 H ARG A 80 6.782 0.558 5.319 1.00 0.00 H new ATOM 0 HA ARG A 80 6.195 -2.108 4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.833 -0.816 3.412 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.816 -0.567 4.841 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.485 -3.380 4.672 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.753 -2.860 3.020 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.616 -1.387 4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.668 -3.031 5.214 1.00 0.00 H new ATOM 0 HE ARG A 80 10.704 -2.891 2.272 1.00 0.00 H new ATOM 0 HH11 ARG A 80 12.706 -2.797 5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 80 14.177 -3.301 4.389 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.580 -3.530 1.217 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.099 -3.718 2.099 1.00 0.00 H new ATOM 1282 N SER A 81 7.934 -1.603 7.424 1.00 0.00 N ATOM 1283 CA SER A 81 8.395 -2.221 8.655 1.00 0.00 C ATOM 1284 C SER A 81 7.205 -2.523 9.567 1.00 0.00 C ATOM 1285 O SER A 81 7.232 -3.485 10.332 1.00 0.00 O ATOM 1286 CB SER A 81 9.405 -1.327 9.377 1.00 0.00 C ATOM 1287 OG SER A 81 9.978 -1.975 10.508 1.00 0.00 O ATOM 0 H SER A 81 8.092 -0.597 7.368 1.00 0.00 H new ATOM 0 HA SER A 81 8.896 -3.155 8.401 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.196 -1.041 8.684 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.913 -0.408 9.696 1.00 0.00 H new ATOM 0 HG SER A 81 10.618 -1.372 10.941 1.00 0.00 H new ATOM 1293 N LEU A 82 6.186 -1.682 9.454 1.00 0.00 N ATOM 1294 CA LEU A 82 4.988 -1.847 10.259 1.00 0.00 C ATOM 1295 C LEU A 82 4.344 -3.197 9.937 1.00 0.00 C ATOM 1296 O LEU A 82 3.948 -3.931 10.841 1.00 0.00 O ATOM 1297 CB LEU A 82 4.048 -0.656 10.069 1.00 0.00 C ATOM 1298 CG LEU A 82 2.880 -0.559 11.052 1.00 0.00 C ATOM 1299 CD1 LEU A 82 2.607 -1.912 11.715 1.00 0.00 C ATOM 1300 CD2 LEU A 82 3.119 0.545 12.084 1.00 0.00 C ATOM 0 H LEU A 82 6.166 -0.885 8.817 1.00 0.00 H new ATOM 0 HA LEU A 82 5.240 -1.859 11.319 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.635 0.260 10.142 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.643 -0.696 9.058 1.00 0.00 H new ATOM 0 HG LEU A 82 1.986 -0.287 10.491 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.772 -1.815 12.409 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.360 -2.649 10.950 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.495 -2.237 12.258 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.273 0.591 12.770 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.029 0.329 12.644 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.226 1.503 11.574 1.00 0.00 H new ATOM 1312 N LEU A 83 4.258 -3.482 8.647 1.00 0.00 N ATOM 1313 CA LEU A 83 3.669 -4.730 8.194 1.00 0.00 C ATOM 1314 C LEU A 83 4.597 -5.891 8.560 1.00 0.00 C ATOM 1315 O LEU A 83 4.153 -6.894 9.114 1.00 0.00 O ATOM 1316 CB LEU A 83 3.336 -4.656 6.702 1.00 0.00 C ATOM 1317 CG LEU A 83 2.057 -3.900 6.337 1.00 0.00 C ATOM 1318 CD1 LEU A 83 2.224 -2.397 6.573 1.00 0.00 C ATOM 1319 CD2 LEU A 83 1.627 -4.210 4.903 1.00 0.00 C ATOM 0 H LEU A 83 4.587 -2.870 7.900 1.00 0.00 H new ATOM 0 HA LEU A 83 2.720 -4.908 8.700 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.173 -4.185 6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.256 -5.673 6.317 1.00 0.00 H new ATOM 0 HG LEU A 83 1.258 -4.243 6.994 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.301 -1.882 6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.449 -2.217 7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.041 -2.021 5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.715 -3.660 4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.417 -3.912 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.441 -5.279 4.802 1.00 0.00 H new ATOM 1331 N GLY A 84 5.869 -5.712 8.234 1.00 0.00 N ATOM 1332 CA GLY A 84 6.864 -6.731 8.522 1.00 0.00 C ATOM 1333 C GLY A 84 6.810 -7.152 9.992 1.00 0.00 C ATOM 1334 O GLY A 84 6.858 -8.339 10.306 1.00 0.00 O ATOM 0 H GLY A 84 6.233 -4.878 7.774 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.695 -7.599 7.885 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.858 -6.351 8.285 1.00 0.00 H new ATOM 1338 N LYS A 85 6.715 -6.150 10.856 1.00 0.00 N ATOM 1339 CA LYS A 85 6.655 -6.401 12.286 1.00 0.00 C ATOM 1340 C LYS A 85 5.246 -6.865 12.660 1.00 0.00 C ATOM 1341 O LYS A 85 5.085 -7.792 13.453 1.00 0.00 O ATOM 1342 CB LYS A 85 7.123 -5.169 13.065 1.00 0.00 C ATOM 1343 CG LYS A 85 8.564 -5.344 13.552 1.00 0.00 C ATOM 1344 CD LYS A 85 8.870 -4.388 14.709 1.00 0.00 C ATOM 1345 CE LYS A 85 9.556 -3.118 14.202 1.00 0.00 C ATOM 1346 NZ LYS A 85 10.833 -2.899 14.917 1.00 0.00 N ATOM 0 H LYS A 85 6.678 -5.165 10.593 1.00 0.00 H new ATOM 0 HA LYS A 85 7.339 -7.204 12.561 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.054 -4.285 12.431 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.465 -5.001 13.918 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.721 -6.373 13.874 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.255 -5.159 12.730 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.945 -4.126 15.223 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.510 -4.886 15.437 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.741 -3.200 13.131 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.899 -2.260 14.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.286 -2.033 14.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.648 -2.799 15.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.464 -3.710 14.757 1.00 0.00 H new ATOM 1359 N ALA A 86 4.262 -6.200 12.073 1.00 0.00 N ATOM 1360 CA ALA A 86 2.873 -6.534 12.334 1.00 0.00 C ATOM 1361 C ALA A 86 2.613 -7.982 11.915 1.00 0.00 C ATOM 1362 O ALA A 86 1.777 -8.663 12.507 1.00 0.00 O ATOM 1363 CB ALA A 86 1.964 -5.543 11.603 1.00 0.00 C ATOM 0 H ALA A 86 4.400 -5.431 11.417 1.00 0.00 H new ATOM 0 HA ALA A 86 2.653 -6.455 13.399 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.921 -5.793 11.799 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.167 -4.533 11.958 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.155 -5.596 10.531 1.00 0.00 H new ATOM 1369 N MET A 87 3.346 -8.410 10.898 1.00 0.00 N ATOM 1370 CA MET A 87 3.205 -9.766 10.392 1.00 0.00 C ATOM 1371 C MET A 87 4.518 -10.540 10.523 1.00 0.00 C ATOM 1372 O MET A 87 4.723 -11.542 9.841 1.00 0.00 O ATOM 1373 CB MET A 87 2.782 -9.722 8.922 1.00 0.00 C ATOM 1374 CG MET A 87 1.463 -10.464 8.709 1.00 0.00 C ATOM 1375 SD MET A 87 1.114 -10.603 6.963 1.00 0.00 S ATOM 1376 CE MET A 87 1.458 -8.931 6.444 1.00 0.00 C ATOM 0 H MET A 87 4.039 -7.843 10.410 1.00 0.00 H new ATOM 0 HA MET A 87 2.444 -10.276 10.983 1.00 0.00 H new ATOM 0 HB2 MET A 87 2.676 -8.686 8.601 1.00 0.00 H new ATOM 0 HB3 MET A 87 3.559 -10.170 8.303 1.00 0.00 H new ATOM 0 HG2 MET A 87 1.518 -11.456 9.157 1.00 0.00 H new ATOM 0 HG3 MET A 87 0.653 -9.933 9.209 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.013 -8.755 5.464 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.035 -8.232 7.165 1.00 0.00 H new ATOM 0 HE3 MET A 87 2.536 -8.783 6.385 1.00 0.00 H new ATOM 1386 N ARG A 88 5.374 -10.044 11.405 1.00 0.00 N ATOM 1387 CA ARG A 88 6.662 -10.675 11.635 1.00 0.00 C ATOM 1388 C ARG A 88 7.072 -11.504 10.416 1.00 0.00 C ATOM 1389 O ARG A 88 6.751 -12.689 10.331 1.00 0.00 O ATOM 1390 CB ARG A 88 6.620 -11.580 12.867 1.00 0.00 C ATOM 1391 CG ARG A 88 6.718 -10.758 14.155 1.00 0.00 C ATOM 1392 CD ARG A 88 6.790 -11.669 15.382 1.00 0.00 C ATOM 1393 NE ARG A 88 8.202 -11.873 15.778 1.00 0.00 N ATOM 1394 CZ ARG A 88 8.589 -12.570 16.868 1.00 0.00 C ATOM 1395 NH1 ARG A 88 7.671 -13.134 17.682 1.00 0.00 N ATOM 1396 NH2 ARG A 88 9.879 -12.689 17.125 1.00 0.00 N ATOM 0 H ARG A 88 5.200 -9.212 11.969 1.00 0.00 H new ATOM 0 HA ARG A 88 7.393 -9.884 11.804 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.694 -12.156 12.868 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.441 -12.296 12.825 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.602 -10.121 14.118 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.854 -10.099 14.237 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.232 -11.226 16.207 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.323 -12.629 15.161 1.00 0.00 H new ATOM 0 HE ARG A 88 8.928 -11.461 15.191 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.677 -13.035 17.476 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.972 -13.659 18.503 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.564 -12.258 16.505 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.190 -13.212 17.944 1.00 0.00 H new ATOM 1409 N LEU A 89 7.773 -10.850 9.504 1.00 0.00 N ATOM 1410 CA LEU A 89 8.229 -11.512 8.292 1.00 0.00 C ATOM 1411 C LEU A 89 9.744 -11.342 8.164 1.00 0.00 C ATOM 1412 O LEU A 89 10.346 -10.542 8.880 1.00 0.00 O ATOM 1413 CB LEU A 89 7.449 -11.004 7.078 1.00 0.00 C ATOM 1414 CG LEU A 89 8.189 -10.026 6.164 1.00 0.00 C ATOM 1415 CD1 LEU A 89 7.352 -9.687 4.930 1.00 0.00 C ATOM 1416 CD2 LEU A 89 8.614 -8.773 6.933 1.00 0.00 C ATOM 0 H LEU A 89 8.037 -9.868 9.578 1.00 0.00 H new ATOM 0 HA LEU A 89 8.030 -12.582 8.344 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.142 -11.864 6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.539 -10.520 7.433 1.00 0.00 H new ATOM 0 HG LEU A 89 9.099 -10.510 5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.902 -8.990 4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.144 -10.599 4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.413 -9.230 5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.138 -8.094 6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.731 -8.276 7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.276 -9.056 7.752 1.00 0.00 H new ATOM 1428 N ARG A 90 10.318 -12.108 7.247 1.00 0.00 N ATOM 1429 CA ARG A 90 11.750 -12.053 7.016 1.00 0.00 C ATOM 1430 C ARG A 90 12.040 -11.564 5.595 1.00 0.00 C ATOM 1431 O ARG A 90 12.960 -10.775 5.381 1.00 0.00 O ATOM 1432 CB ARG A 90 12.395 -13.426 7.216 1.00 0.00 C ATOM 1433 CG ARG A 90 11.398 -14.548 6.916 1.00 0.00 C ATOM 1434 CD ARG A 90 12.116 -15.890 6.759 1.00 0.00 C ATOM 1435 NE ARG A 90 11.141 -16.999 6.861 1.00 0.00 N ATOM 1436 CZ ARG A 90 10.676 -17.495 8.027 1.00 0.00 C ATOM 1437 NH1 ARG A 90 11.095 -16.983 9.205 1.00 0.00 N ATOM 1438 NH2 ARG A 90 9.807 -18.488 8.000 1.00 0.00 N ATOM 0 H ARG A 90 9.816 -12.770 6.656 1.00 0.00 H new ATOM 0 HA ARG A 90 12.175 -11.356 7.739 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.264 -13.522 6.565 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.754 -13.518 8.241 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.666 -14.615 7.721 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.848 -14.317 6.004 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.625 -15.929 5.796 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.881 -15.995 7.528 1.00 0.00 H new ATOM 0 HE ARG A 90 10.799 -17.415 5.995 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.767 -16.216 9.217 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.739 -17.363 10.082 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.496 -18.870 7.107 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.446 -18.874 8.873 1.00 0.00 H new ATOM 1451 N ILE A 91 11.239 -12.053 4.660 1.00 0.00 N ATOM 1452 CA ILE A 91 11.398 -11.677 3.266 1.00 0.00 C ATOM 1453 C ILE A 91 11.746 -10.189 3.181 1.00 0.00 C ATOM 1454 O ILE A 91 12.469 -9.768 2.279 1.00 0.00 O ATOM 1455 CB ILE A 91 10.157 -12.064 2.461 1.00 0.00 C ATOM 1456 CG1 ILE A 91 8.880 -11.596 3.163 1.00 0.00 C ATOM 1457 CG2 ILE A 91 10.136 -13.568 2.175 1.00 0.00 C ATOM 1458 CD1 ILE A 91 7.879 -11.023 2.156 1.00 0.00 C ATOM 0 H ILE A 91 10.477 -12.707 4.841 1.00 0.00 H new ATOM 0 HA ILE A 91 12.225 -12.226 2.816 1.00 0.00 H new ATOM 0 HB ILE A 91 10.201 -11.554 1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.427 -12.432 3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.126 -10.839 3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.243 -13.817 1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.023 -13.842 1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.127 -14.117 3.116 1.00 0.00 H new ATOM 0 HD11 ILE A 91 6.981 -10.698 2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.327 -10.173 1.642 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.616 -11.790 1.428 1.00 0.00 H new ATOM 1470 N VAL A 92 11.214 -9.435 4.131 1.00 0.00 N ATOM 1471 CA VAL A 92 11.460 -8.004 4.174 1.00 0.00 C ATOM 1472 C VAL A 92 11.833 -7.511 2.774 1.00 0.00 C ATOM 1473 O VAL A 92 12.917 -6.966 2.573 1.00 0.00 O ATOM 1474 CB VAL A 92 12.528 -7.687 5.224 1.00 0.00 C ATOM 1475 CG1 VAL A 92 12.932 -6.211 5.169 1.00 0.00 C ATOM 1476 CG2 VAL A 92 12.052 -8.073 6.624 1.00 0.00 C ATOM 0 H VAL A 92 10.614 -9.788 4.877 1.00 0.00 H new ATOM 0 HA VAL A 92 10.558 -7.471 4.476 1.00 0.00 H new ATOM 0 HB VAL A 92 13.410 -8.284 4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.692 -6.013 5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 92 13.333 -5.980 4.182 1.00 0.00 H new ATOM 0 HG13 VAL A 92 12.059 -5.587 5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.830 -7.837 7.351 1.00 0.00 H new ATOM 0 HG22 VAL A 92 11.147 -7.516 6.867 1.00 0.00 H new ATOM 0 HG23 VAL A 92 11.839 -9.142 6.654 1.00 0.00 H new ATOM 1486 N PRO A 93 10.890 -7.728 1.820 1.00 0.00 N ATOM 1487 CA PRO A 93 11.108 -7.312 0.444 1.00 0.00 C ATOM 1488 C PRO A 93 10.959 -5.796 0.299 1.00 0.00 C ATOM 1489 O PRO A 93 10.243 -5.163 1.073 1.00 0.00 O ATOM 1490 CB PRO A 93 10.087 -8.092 -0.368 1.00 0.00 C ATOM 1491 CG PRO A 93 9.033 -8.557 0.622 1.00 0.00 C ATOM 1492 CD PRO A 93 9.595 -8.369 2.023 1.00 0.00 C ATOM 0 HA PRO A 93 12.119 -7.523 0.095 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.645 -7.467 -1.144 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.553 -8.940 -0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.114 -7.984 0.499 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.781 -9.603 0.449 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.938 -7.749 2.633 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.702 -9.324 2.538 1.00 0.00 H new ATOM 1500 N GLU A 94 11.644 -5.259 -0.699 1.00 0.00 N ATOM 1501 CA GLU A 94 11.595 -3.830 -0.956 1.00 0.00 C ATOM 1502 C GLU A 94 10.199 -3.422 -1.429 1.00 0.00 C ATOM 1503 O GLU A 94 10.015 -3.055 -2.589 1.00 0.00 O ATOM 1504 CB GLU A 94 12.662 -3.421 -1.976 1.00 0.00 C ATOM 1505 CG GLU A 94 13.322 -2.099 -1.576 1.00 0.00 C ATOM 1506 CD GLU A 94 14.451 -1.737 -2.544 1.00 0.00 C ATOM 1507 OE1 GLU A 94 14.208 -1.580 -3.749 1.00 0.00 O ATOM 1508 OE2 GLU A 94 15.616 -1.617 -2.003 1.00 0.00 O ATOM 0 H GLU A 94 12.236 -5.788 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 94 11.808 -3.305 -0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.419 -4.202 -2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.209 -3.322 -2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.576 -1.304 -1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.717 -2.177 -0.563 1.00 0.00 H new ATOM 1516 N LEU A 95 9.251 -3.501 -0.507 1.00 0.00 N ATOM 1517 CA LEU A 95 7.876 -3.145 -0.816 1.00 0.00 C ATOM 1518 C LEU A 95 7.775 -1.629 -0.996 1.00 0.00 C ATOM 1519 O LEU A 95 7.520 -0.902 -0.036 1.00 0.00 O ATOM 1520 CB LEU A 95 6.927 -3.703 0.246 1.00 0.00 C ATOM 1521 CG LEU A 95 5.568 -4.193 -0.260 1.00 0.00 C ATOM 1522 CD1 LEU A 95 5.333 -5.655 0.126 1.00 0.00 C ATOM 1523 CD2 LEU A 95 4.441 -3.283 0.230 1.00 0.00 C ATOM 0 H LEU A 95 9.407 -3.806 0.454 1.00 0.00 H new ATOM 0 HA LEU A 95 7.567 -3.600 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.425 -4.531 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.756 -2.930 0.995 1.00 0.00 H new ATOM 0 HG LEU A 95 5.571 -4.145 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.360 -5.978 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.114 -6.277 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.357 -5.753 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.486 -3.653 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.427 -3.276 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.606 -2.270 -0.137 1.00 0.00 H new ATOM 1535 N THR A 96 7.980 -1.196 -2.231 1.00 0.00 N ATOM 1536 CA THR A 96 7.914 0.221 -2.548 1.00 0.00 C ATOM 1537 C THR A 96 6.484 0.737 -2.388 1.00 0.00 C ATOM 1538 O THR A 96 5.543 -0.049 -2.291 1.00 0.00 O ATOM 1539 CB THR A 96 8.478 0.416 -3.957 1.00 0.00 C ATOM 1540 OG1 THR A 96 8.956 1.758 -3.957 1.00 0.00 O ATOM 1541 CG2 THR A 96 7.388 0.408 -5.029 1.00 0.00 C ATOM 0 H THR A 96 8.192 -1.801 -3.024 1.00 0.00 H new ATOM 0 HA THR A 96 8.517 0.810 -1.857 1.00 0.00 H new ATOM 0 HB THR A 96 9.202 -0.370 -4.170 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.341 1.968 -4.834 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.841 0.550 -6.010 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.863 -0.547 -5.007 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.682 1.215 -4.836 1.00 0.00 H new ATOM 1549 N PHE A 97 6.365 2.057 -2.366 1.00 0.00 N ATOM 1550 CA PHE A 97 5.065 2.688 -2.220 1.00 0.00 C ATOM 1551 C PHE A 97 4.736 3.556 -3.436 1.00 0.00 C ATOM 1552 O PHE A 97 5.384 4.573 -3.670 1.00 0.00 O ATOM 1553 CB PHE A 97 5.136 3.579 -0.978 1.00 0.00 C ATOM 1554 CG PHE A 97 3.884 3.525 -0.100 1.00 0.00 C ATOM 1555 CD1 PHE A 97 3.159 2.376 -0.019 1.00 0.00 C ATOM 1556 CD2 PHE A 97 3.497 4.625 0.598 1.00 0.00 C ATOM 1557 CE1 PHE A 97 1.998 2.327 0.796 1.00 0.00 C ATOM 1558 CE2 PHE A 97 2.335 4.575 1.414 1.00 0.00 C ATOM 1559 CZ PHE A 97 1.611 3.427 1.496 1.00 0.00 C ATOM 0 H PHE A 97 7.148 2.706 -2.447 1.00 0.00 H new ATOM 0 HA PHE A 97 4.291 1.926 -2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 97 5.999 3.284 -0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 97 5.303 4.609 -1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.467 1.502 -0.574 1.00 0.00 H new ATOM 0 HD2 PHE A 97 4.072 5.537 0.532 1.00 0.00 H new ATOM 0 HE1 PHE A 97 1.422 1.416 0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.027 5.449 1.969 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.728 3.389 2.117 1.00 0.00 H new ATOM 1569 N PHE A 98 3.729 3.120 -4.180 1.00 0.00 N ATOM 1570 CA PHE A 98 3.307 3.844 -5.367 1.00 0.00 C ATOM 1571 C PHE A 98 1.987 4.578 -5.121 1.00 0.00 C ATOM 1572 O PHE A 98 0.956 3.947 -4.893 1.00 0.00 O ATOM 1573 CB PHE A 98 3.103 2.808 -6.473 1.00 0.00 C ATOM 1574 CG PHE A 98 4.058 2.967 -7.659 1.00 0.00 C ATOM 1575 CD1 PHE A 98 4.111 4.146 -8.336 1.00 0.00 C ATOM 1576 CD2 PHE A 98 4.853 1.930 -8.035 1.00 0.00 C ATOM 1577 CE1 PHE A 98 4.998 4.293 -9.435 1.00 0.00 C ATOM 1578 CE2 PHE A 98 5.739 2.078 -9.135 1.00 0.00 C ATOM 1579 CZ PHE A 98 5.793 3.255 -9.812 1.00 0.00 C ATOM 0 H PHE A 98 3.193 2.274 -3.983 1.00 0.00 H new ATOM 0 HA PHE A 98 4.059 4.586 -5.638 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.228 1.811 -6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 98 2.077 2.875 -6.834 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.479 4.969 -8.038 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.811 0.994 -7.497 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.042 5.229 -9.972 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.370 1.254 -9.434 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.467 3.367 -10.649 1.00 0.00 H new ATOM 1589 N TYR A 99 2.062 5.899 -5.177 1.00 0.00 N ATOM 1590 CA TYR A 99 0.887 6.726 -4.962 1.00 0.00 C ATOM 1591 C TYR A 99 0.207 7.067 -6.291 1.00 0.00 C ATOM 1592 O TYR A 99 0.747 7.829 -7.090 1.00 0.00 O ATOM 1593 CB TYR A 99 1.389 8.017 -4.314 1.00 0.00 C ATOM 1594 CG TYR A 99 2.595 7.821 -3.393 1.00 0.00 C ATOM 1595 CD1 TYR A 99 3.872 7.836 -3.915 1.00 0.00 C ATOM 1596 CD2 TYR A 99 2.407 7.630 -2.040 1.00 0.00 C ATOM 1597 CE1 TYR A 99 5.007 7.651 -3.049 1.00 0.00 C ATOM 1598 CE2 TYR A 99 3.542 7.445 -1.172 1.00 0.00 C ATOM 1599 CZ TYR A 99 4.786 7.466 -1.721 1.00 0.00 C ATOM 1600 OH TYR A 99 5.857 7.292 -0.901 1.00 0.00 O ATOM 0 H TYR A 99 2.919 6.418 -5.368 1.00 0.00 H new ATOM 0 HA TYR A 99 0.160 6.204 -4.341 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.655 8.726 -5.098 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.576 8.464 -3.742 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.020 7.987 -4.974 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.408 7.619 -1.631 1.00 0.00 H new ATOM 0 HE1 TYR A 99 6.011 7.659 -3.446 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.408 7.293 -0.111 1.00 0.00 H new ATOM 0 HH TYR A 99 6.651 7.089 -1.438 1.00 0.00 H new ATOM 1610 N ASP A 100 -0.967 6.485 -6.485 1.00 0.00 N ATOM 1611 CA ASP A 100 -1.726 6.718 -7.703 1.00 0.00 C ATOM 1612 C ASP A 100 -2.998 7.498 -7.363 1.00 0.00 C ATOM 1613 O ASP A 100 -4.045 6.904 -7.112 1.00 0.00 O ATOM 1614 CB ASP A 100 -2.140 5.398 -8.355 1.00 0.00 C ATOM 1615 CG ASP A 100 -1.653 5.207 -9.793 1.00 0.00 C ATOM 1616 OD1 ASP A 100 -2.400 4.737 -10.663 1.00 0.00 O ATOM 1617 OD2 ASP A 100 -0.434 5.570 -10.009 1.00 0.00 O ATOM 0 H ASP A 100 -1.412 5.853 -5.820 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.094 7.277 -8.393 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.763 4.576 -7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.228 5.330 -8.344 1.00 0.00 H new ATOM 1623 N ASN A 101 -2.866 8.815 -7.369 1.00 0.00 N ATOM 1624 CA ASN A 101 -3.992 9.683 -7.065 1.00 0.00 C ATOM 1625 C ASN A 101 -4.605 10.189 -8.372 1.00 0.00 C ATOM 1626 O ASN A 101 -4.212 9.760 -9.455 1.00 0.00 O ATOM 1627 CB ASN A 101 -3.547 10.898 -6.249 1.00 0.00 C ATOM 1628 CG ASN A 101 -2.288 11.528 -6.845 1.00 0.00 C ATOM 1629 OD1 ASN A 101 -2.218 11.847 -8.021 1.00 0.00 O ATOM 1630 ND2 ASN A 101 -1.298 11.691 -5.972 1.00 0.00 N ATOM 0 H ASN A 101 -1.996 9.304 -7.580 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.716 9.108 -6.488 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.349 11.636 -6.222 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.355 10.598 -5.219 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.415 12.104 -6.273 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.421 11.403 -5.001 1.00 0.00 H new ATOM 1637 N SER A 102 -5.559 11.097 -8.227 1.00 0.00 N ATOM 1638 CA SER A 102 -6.232 11.667 -9.382 1.00 0.00 C ATOM 1639 C SER A 102 -5.482 12.912 -9.862 1.00 0.00 C ATOM 1640 O SER A 102 -6.017 13.703 -10.636 1.00 0.00 O ATOM 1641 CB SER A 102 -7.685 12.017 -9.056 1.00 0.00 C ATOM 1642 OG SER A 102 -8.145 13.143 -9.800 1.00 0.00 O ATOM 0 H SER A 102 -5.882 11.452 -7.327 1.00 0.00 H new ATOM 0 HA SER A 102 -6.236 10.922 -10.178 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.321 11.158 -9.269 1.00 0.00 H new ATOM 0 HB3 SER A 102 -7.777 12.225 -7.990 1.00 0.00 H new ATOM 0 HG SER A 102 -8.546 13.797 -9.190 1.00 0.00 H new ATOM 1648 N LEU A 103 -4.254 13.044 -9.383 1.00 0.00 N ATOM 1649 CA LEU A 103 -3.425 14.179 -9.755 1.00 0.00 C ATOM 1650 C LEU A 103 -2.443 13.751 -10.848 1.00 0.00 C ATOM 1651 O LEU A 103 -1.604 14.541 -11.276 1.00 0.00 O ATOM 1652 CB LEU A 103 -2.748 14.775 -8.519 1.00 0.00 C ATOM 1653 CG LEU A 103 -2.043 16.118 -8.722 1.00 0.00 C ATOM 1654 CD1 LEU A 103 -2.873 17.265 -8.141 1.00 0.00 C ATOM 1655 CD2 LEU A 103 -0.627 16.086 -8.147 1.00 0.00 C ATOM 0 H LEU A 103 -3.813 12.385 -8.741 1.00 0.00 H new ATOM 0 HA LEU A 103 -4.038 14.979 -10.172 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.501 14.896 -7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.018 14.056 -8.147 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.951 16.298 -9.793 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.350 18.208 -8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.843 17.300 -8.638 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.018 17.104 -7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.148 17.053 -8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.673 15.874 -7.079 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.049 15.309 -8.647 1.00 0.00 H new ATOM 1667 N VAL A 104 -2.582 12.502 -11.268 1.00 0.00 N ATOM 1668 CA VAL A 104 -1.718 11.959 -12.302 1.00 0.00 C ATOM 1669 C VAL A 104 -2.576 11.292 -13.378 1.00 0.00 C ATOM 1670 O VAL A 104 -2.049 10.763 -14.356 1.00 0.00 O ATOM 1671 CB VAL A 104 -0.690 11.012 -11.681 1.00 0.00 C ATOM 1672 CG1 VAL A 104 -0.214 9.975 -12.703 1.00 0.00 C ATOM 1673 CG2 VAL A 104 0.490 11.788 -11.097 1.00 0.00 C ATOM 0 H VAL A 104 -3.281 11.850 -10.911 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.153 12.755 -12.786 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.176 10.480 -10.863 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.516 9.314 -12.237 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.065 9.389 -13.050 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.246 10.484 -13.550 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.205 11.090 -10.662 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.976 12.360 -11.887 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.132 12.468 -10.324 1.00 0.00 H new ATOM 1683 N GLU A 105 -3.882 11.336 -13.161 1.00 0.00 N ATOM 1684 CA GLU A 105 -4.818 10.740 -14.100 1.00 0.00 C ATOM 1685 C GLU A 105 -6.124 11.535 -14.124 1.00 0.00 C ATOM 1686 O GLU A 105 -6.699 11.761 -15.188 1.00 0.00 O ATOM 1687 CB GLU A 105 -5.076 9.272 -13.760 1.00 0.00 C ATOM 1688 CG GLU A 105 -3.802 8.595 -13.249 1.00 0.00 C ATOM 1689 CD GLU A 105 -3.948 7.071 -13.261 1.00 0.00 C ATOM 1690 OE1 GLU A 105 -5.045 6.556 -13.521 1.00 0.00 O ATOM 1691 OE2 GLU A 105 -2.870 6.419 -12.989 1.00 0.00 O ATOM 0 H GLU A 105 -4.315 11.775 -12.348 1.00 0.00 H new ATOM 0 HA GLU A 105 -4.376 10.775 -15.096 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.858 9.202 -13.003 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.440 8.749 -14.644 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.956 8.888 -13.871 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.586 8.935 -12.236 1.00 0.00 H new ATOM 1699 N GLY A 106 -6.555 11.940 -12.938 1.00 0.00 N ATOM 1700 CA GLY A 106 -7.783 12.705 -12.809 1.00 0.00 C ATOM 1701 C GLY A 106 -8.996 11.779 -12.677 1.00 0.00 C ATOM 1702 O GLY A 106 -10.137 12.233 -12.732 1.00 0.00 O ATOM 0 H GLY A 106 -6.075 11.752 -12.058 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.721 13.355 -11.936 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.907 13.350 -13.679 1.00 0.00 H new ATOM 1706 N MET A 107 -8.706 10.498 -12.507 1.00 0.00 N ATOM 1707 CA MET A 107 -9.757 9.505 -12.367 1.00 0.00 C ATOM 1708 C MET A 107 -9.441 8.527 -11.234 1.00 0.00 C ATOM 1709 O MET A 107 -10.064 7.472 -11.128 1.00 0.00 O ATOM 1710 CB MET A 107 -9.908 8.734 -13.680 1.00 0.00 C ATOM 1711 CG MET A 107 -10.221 9.681 -14.840 1.00 0.00 C ATOM 1712 SD MET A 107 -9.166 9.314 -16.231 1.00 0.00 S ATOM 1713 CE MET A 107 -7.581 9.264 -15.412 1.00 0.00 C ATOM 0 H MET A 107 -7.758 10.125 -12.463 1.00 0.00 H new ATOM 0 HA MET A 107 -10.688 10.020 -12.128 1.00 0.00 H new ATOM 0 HB2 MET A 107 -8.990 8.186 -13.891 1.00 0.00 H new ATOM 0 HB3 MET A 107 -10.705 7.996 -13.583 1.00 0.00 H new ATOM 0 HG2 MET A 107 -11.267 9.580 -15.130 1.00 0.00 H new ATOM 0 HG3 MET A 107 -10.075 10.714 -14.526 1.00 0.00 H new ATOM 0 HE1 MET A 107 -6.817 9.675 -16.072 1.00 0.00 H new ATOM 0 HE2 MET A 107 -7.626 9.854 -14.497 1.00 0.00 H new ATOM 0 HE3 MET A 107 -7.331 8.232 -15.166 1.00 0.00 H new ATOM 1723 N ARG A 108 -8.473 8.912 -10.415 1.00 0.00 N ATOM 1724 CA ARG A 108 -8.066 8.083 -9.294 1.00 0.00 C ATOM 1725 C ARG A 108 -8.632 8.643 -7.988 1.00 0.00 C ATOM 1726 O ARG A 108 -9.845 8.641 -7.781 1.00 0.00 O ATOM 1727 CB ARG A 108 -6.542 8.006 -9.189 1.00 0.00 C ATOM 1728 CG ARG A 108 -6.039 6.600 -9.522 1.00 0.00 C ATOM 1729 CD ARG A 108 -5.634 6.496 -10.994 1.00 0.00 C ATOM 1730 NE ARG A 108 -6.343 5.367 -11.636 1.00 0.00 N ATOM 1731 CZ ARG A 108 -5.875 4.101 -11.669 1.00 0.00 C ATOM 1732 NH1 ARG A 108 -4.692 3.791 -11.096 1.00 0.00 N ATOM 1733 NH2 ARG A 108 -6.592 3.171 -12.271 1.00 0.00 N ATOM 0 H ARG A 108 -7.959 9.788 -10.506 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.458 7.080 -9.464 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.090 8.728 -9.869 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.229 8.279 -8.181 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.186 6.356 -8.889 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.818 5.870 -9.303 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.871 7.426 -11.511 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.557 6.352 -11.074 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.241 5.557 -12.081 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -4.144 4.516 -10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.347 2.832 -11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.484 3.414 -12.702 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.254 2.209 -12.306 1.00 0.00 H new TER 1746 ARG A 108