USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 646 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 6 TYR OH : rot 52:sc= 1.05 USER MOD Set 1.2: A 83 SER OG : rot -125:sc= 1.12 USER MOD Set 2.1: A 60 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.5) USER MOD Set 2.2: A 63 THR OG1 : rot 180:sc= 0.053 USER MOD Set 3.1: A 46 GLN : amide:sc= 0.844 K(o=1.4,f=-3.3) USER MOD Set 3.2: A 49 LYS NZ :NH3+ 163:sc= 0.524 (180deg=-0.366) USER MOD Single : A 1AGLY N :NH3+ 180:sc= -0.13 (180deg=-0.13) USER MOD Single : A 1BSER OG : rot -26:sc= 0.405 USER MOD Single : A 1CMET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 59:sc= 0.433 USER MOD Single : A 7 GLN : amide:sc= -0.355 K(o=-0.35,f=-1.2) USER MOD Single : A 8 TYR OH : rot -158:sc= 1.13 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -131:sc= 0.0246 (180deg=-0.258) USER MOD Single : A 25 HIS : no HE2:sc= -4.02! C(o=-4!,f=-8.9!) USER MOD Single : A 31 THR OG1 : rot -101:sc= 0.00682 USER MOD Single : A 33 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.1) USER MOD Single : A 34 LYS NZ :NH3+ 157:sc= -0.0707 (180deg=-0.613) USER MOD Single : A 36 SER OG : rot -56:sc= 0.25 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.83) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.075 USER MOD Single : A 72 THR OG1 : rot -34:sc= 0.556 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 30:sc= -0.306 USER MOD Single : A 80 LYS NZ :NH3+ -97:sc= -0.0655 (180deg=-1.02) USER MOD Single : A 81 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0859) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1A 19.291 -6.011 -22.482 1.00 0.00 N ATOM 2 CA GLY A 1A 18.220 -6.248 -21.468 1.00 0.00 C ATOM 3 C GLY A 1A 18.766 -6.338 -20.035 1.00 0.00 C ATOM 4 O GLY A 1A 18.029 -6.664 -19.124 1.00 0.00 O ATOM 0 H1 GLY A 1A 18.866 -5.959 -23.430 1.00 0.00 H new ATOM 0 H2 GLY A 1A 19.777 -5.116 -22.271 1.00 0.00 H new ATOM 0 H3 GLY A 1A 19.976 -6.793 -22.452 1.00 0.00 H new ATOM 0 HA2 GLY A 1A 17.489 -5.441 -21.523 1.00 0.00 H new ATOM 0 HA3 GLY A 1A 17.695 -7.172 -21.710 1.00 0.00 H new ATOM 10 N SER A 1B 20.035 -6.047 -19.875 1.00 0.00 N ATOM 11 CA SER A 1B 20.680 -6.096 -18.525 1.00 0.00 C ATOM 12 C SER A 1B 20.502 -4.763 -17.766 1.00 0.00 C ATOM 13 O SER A 1B 20.858 -4.666 -16.608 1.00 0.00 O ATOM 14 CB SER A 1B 22.178 -6.414 -18.730 1.00 0.00 C ATOM 15 OG SER A 1B 22.696 -6.648 -17.426 1.00 0.00 O ATOM 0 H SER A 1B 20.659 -5.774 -20.634 1.00 0.00 H new ATOM 0 HA SER A 1B 20.207 -6.868 -17.918 1.00 0.00 H new ATOM 0 HB2 SER A 1B 22.310 -7.288 -19.368 1.00 0.00 H new ATOM 0 HB3 SER A 1B 22.693 -5.584 -19.214 1.00 0.00 H new ATOM 0 HG SER A 1B 22.149 -6.173 -16.766 1.00 0.00 H new ATOM 21 N MET A 1C 19.952 -3.783 -18.442 1.00 0.00 N ATOM 22 CA MET A 1C 19.746 -2.434 -17.824 1.00 0.00 C ATOM 23 C MET A 1C 18.771 -2.520 -16.634 1.00 0.00 C ATOM 24 O MET A 1C 19.188 -2.415 -15.495 1.00 0.00 O ATOM 25 CB MET A 1C 19.187 -1.474 -18.907 1.00 0.00 C ATOM 26 CG MET A 1C 20.334 -0.683 -19.564 1.00 0.00 C ATOM 27 SD MET A 1C 21.268 0.445 -18.496 1.00 0.00 S ATOM 28 CE MET A 1C 22.467 1.075 -19.699 1.00 0.00 C ATOM 0 H MET A 1C 19.633 -3.861 -19.408 1.00 0.00 H new ATOM 0 HA MET A 1C 20.698 -2.059 -17.448 1.00 0.00 H new ATOM 0 HB2 MET A 1C 18.648 -2.044 -19.664 1.00 0.00 H new ATOM 0 HB3 MET A 1C 18.472 -0.785 -18.458 1.00 0.00 H new ATOM 0 HG2 MET A 1C 21.034 -1.397 -19.998 1.00 0.00 H new ATOM 0 HG3 MET A 1C 19.918 -0.104 -20.388 1.00 0.00 H new ATOM 0 HE1 MET A 1C 23.130 1.790 -19.212 1.00 0.00 H new ATOM 0 HE2 MET A 1C 23.054 0.247 -20.095 1.00 0.00 H new ATOM 0 HE3 MET A 1C 21.939 1.568 -20.515 1.00 0.00 H new ATOM 38 N SER A 2 17.509 -2.708 -16.937 1.00 0.00 N ATOM 39 CA SER A 2 16.450 -2.807 -15.879 1.00 0.00 C ATOM 40 C SER A 2 15.081 -3.088 -16.521 1.00 0.00 C ATOM 41 O SER A 2 14.786 -2.606 -17.598 1.00 0.00 O ATOM 42 CB SER A 2 16.375 -1.474 -15.077 1.00 0.00 C ATOM 43 OG SER A 2 16.977 -1.759 -13.818 1.00 0.00 O ATOM 0 H SER A 2 17.160 -2.799 -17.891 1.00 0.00 H new ATOM 0 HA SER A 2 16.707 -3.625 -15.206 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.904 -0.674 -15.594 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.343 -1.146 -14.954 1.00 0.00 H new ATOM 0 HG SER A 2 17.896 -2.068 -13.958 1.00 0.00 H new ATOM 49 N ALA A 3 14.291 -3.864 -15.821 1.00 0.00 N ATOM 50 CA ALA A 3 12.878 -4.144 -16.238 1.00 0.00 C ATOM 51 C ALA A 3 11.913 -3.101 -15.629 1.00 0.00 C ATOM 52 O ALA A 3 12.348 -2.088 -15.112 1.00 0.00 O ATOM 53 CB ALA A 3 12.529 -5.581 -15.771 1.00 0.00 C ATOM 0 H ALA A 3 14.572 -4.327 -14.957 1.00 0.00 H new ATOM 0 HA ALA A 3 12.775 -4.071 -17.321 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.505 -5.818 -16.059 1.00 0.00 H new ATOM 0 HB2 ALA A 3 13.211 -6.291 -16.238 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.625 -5.645 -14.687 1.00 0.00 H new ATOM 59 N GLU A 4 10.633 -3.381 -15.717 1.00 0.00 N ATOM 60 CA GLU A 4 9.581 -2.453 -15.189 1.00 0.00 C ATOM 61 C GLU A 4 8.365 -3.214 -14.631 1.00 0.00 C ATOM 62 O GLU A 4 7.323 -2.633 -14.388 1.00 0.00 O ATOM 63 CB GLU A 4 9.169 -1.535 -16.341 1.00 0.00 C ATOM 64 CG GLU A 4 8.409 -2.317 -17.442 1.00 0.00 C ATOM 65 CD GLU A 4 8.621 -1.604 -18.788 1.00 0.00 C ATOM 66 OE1 GLU A 4 9.646 -1.882 -19.389 1.00 0.00 O ATOM 67 OE2 GLU A 4 7.749 -0.825 -19.138 1.00 0.00 O ATOM 0 H GLU A 4 10.266 -4.233 -16.142 1.00 0.00 H new ATOM 0 HA GLU A 4 9.982 -1.877 -14.355 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.537 -0.732 -15.961 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.055 -1.067 -16.770 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.773 -3.343 -17.496 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.346 -2.368 -17.204 1.00 0.00 H new ATOM 74 N GLY A 5 8.545 -4.497 -14.447 1.00 0.00 N ATOM 75 CA GLY A 5 7.442 -5.400 -13.994 1.00 0.00 C ATOM 76 C GLY A 5 6.169 -5.283 -14.852 1.00 0.00 C ATOM 77 O GLY A 5 6.223 -5.325 -16.067 1.00 0.00 O ATOM 0 H GLY A 5 9.436 -4.970 -14.596 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.794 -6.431 -14.017 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.196 -5.170 -12.957 1.00 0.00 H new ATOM 81 N TYR A 6 5.065 -5.143 -14.159 1.00 0.00 N ATOM 82 CA TYR A 6 3.752 -4.809 -14.809 1.00 0.00 C ATOM 83 C TYR A 6 3.436 -3.334 -14.546 1.00 0.00 C ATOM 84 O TYR A 6 3.740 -2.828 -13.481 1.00 0.00 O ATOM 85 CB TYR A 6 2.607 -5.690 -14.213 1.00 0.00 C ATOM 86 CG TYR A 6 3.097 -6.998 -13.548 1.00 0.00 C ATOM 87 CD1 TYR A 6 4.027 -7.834 -14.146 1.00 0.00 C ATOM 88 CD2 TYR A 6 2.587 -7.359 -12.315 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.435 -8.995 -13.526 1.00 0.00 C ATOM 90 CE2 TYR A 6 2.997 -8.520 -11.696 1.00 0.00 C ATOM 91 CZ TYR A 6 3.920 -9.346 -12.296 1.00 0.00 C ATOM 92 OH TYR A 6 4.322 -10.507 -11.668 1.00 0.00 O ATOM 0 H TYR A 6 5.015 -5.248 -13.146 1.00 0.00 H new ATOM 0 HA TYR A 6 3.823 -5.002 -15.880 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.058 -5.104 -13.476 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.905 -5.940 -15.008 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.437 -7.572 -15.110 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.859 -6.724 -11.831 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.162 -9.633 -14.006 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.590 -8.784 -10.731 1.00 0.00 H new ATOM 0 HH TYR A 6 5.301 -10.532 -11.623 1.00 0.00 H new ATOM 102 N GLN A 7 2.834 -2.690 -15.518 1.00 0.00 N ATOM 103 CA GLN A 7 2.490 -1.238 -15.364 1.00 0.00 C ATOM 104 C GLN A 7 0.984 -0.973 -15.486 1.00 0.00 C ATOM 105 O GLN A 7 0.235 -1.768 -16.024 1.00 0.00 O ATOM 106 CB GLN A 7 3.238 -0.437 -16.439 1.00 0.00 C ATOM 107 CG GLN A 7 4.653 -0.089 -15.949 1.00 0.00 C ATOM 108 CD GLN A 7 5.542 0.386 -17.113 1.00 0.00 C ATOM 109 OE1 GLN A 7 5.170 0.374 -18.271 1.00 0.00 O ATOM 110 NE2 GLN A 7 6.743 0.815 -16.841 1.00 0.00 N ATOM 0 H GLN A 7 2.566 -3.105 -16.410 1.00 0.00 H new ATOM 0 HA GLN A 7 2.791 -0.928 -14.363 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.296 -1.016 -17.361 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.690 0.476 -16.670 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.597 0.690 -15.189 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.103 -0.962 -15.477 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.072 0.832 -15.876 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.353 1.133 -17.594 1.00 0.00 H new ATOM 119 N TYR A 8 0.615 0.168 -14.956 1.00 0.00 N ATOM 120 CA TYR A 8 -0.809 0.619 -14.942 1.00 0.00 C ATOM 121 C TYR A 8 -0.817 2.126 -15.234 1.00 0.00 C ATOM 122 O TYR A 8 -0.063 2.867 -14.630 1.00 0.00 O ATOM 123 CB TYR A 8 -1.432 0.350 -13.543 1.00 0.00 C ATOM 124 CG TYR A 8 -1.427 -1.156 -13.228 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.257 -1.776 -12.838 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.579 -1.913 -13.334 1.00 0.00 C ATOM 127 CE1 TYR A 8 -0.238 -3.122 -12.562 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.556 -3.265 -13.055 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.382 -3.879 -12.668 1.00 0.00 C ATOM 130 OH TYR A 8 -1.344 -5.230 -12.387 1.00 0.00 O ATOM 0 H TYR A 8 1.263 0.824 -14.520 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.392 0.079 -15.688 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.871 0.889 -12.779 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.453 0.729 -13.515 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.651 -1.198 -12.749 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.503 -1.444 -13.637 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.686 -3.591 -12.258 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.462 -3.846 -13.140 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.096 -5.677 -12.828 1.00 0.00 H new ATOM 140 N ARG A 9 -1.665 2.534 -16.143 1.00 0.00 N ATOM 141 CA ARG A 9 -1.907 3.992 -16.367 1.00 0.00 C ATOM 142 C ARG A 9 -3.047 4.441 -15.453 1.00 0.00 C ATOM 143 O ARG A 9 -4.129 3.890 -15.495 1.00 0.00 O ATOM 144 CB ARG A 9 -2.292 4.240 -17.851 1.00 0.00 C ATOM 145 CG ARG A 9 -1.082 4.823 -18.611 1.00 0.00 C ATOM 146 CD ARG A 9 -1.445 5.081 -20.090 1.00 0.00 C ATOM 147 NE ARG A 9 -2.113 6.415 -20.196 1.00 0.00 N ATOM 148 CZ ARG A 9 -2.084 7.075 -21.324 1.00 0.00 C ATOM 149 NH1 ARG A 9 -2.744 6.613 -22.351 1.00 0.00 N ATOM 150 NH2 ARG A 9 -1.395 8.181 -21.391 1.00 0.00 N ATOM 0 H ARG A 9 -2.206 1.913 -16.746 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.004 4.559 -16.141 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.610 3.307 -18.315 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.136 4.928 -17.908 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.764 5.754 -18.141 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.241 4.132 -18.552 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.548 5.058 -20.709 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.107 4.297 -20.459 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.592 6.810 -19.387 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.275 5.746 -22.268 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.729 7.119 -23.236 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.890 8.518 -20.571 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.361 8.709 -22.263 1.00 0.00 H new ATOM 164 N ALA A 10 -2.751 5.434 -14.653 1.00 0.00 N ATOM 165 CA ALA A 10 -3.819 6.215 -13.945 1.00 0.00 C ATOM 166 C ALA A 10 -4.927 6.675 -14.913 1.00 0.00 C ATOM 167 O ALA A 10 -4.648 7.292 -15.923 1.00 0.00 O ATOM 168 CB ALA A 10 -3.173 7.445 -13.271 1.00 0.00 C ATOM 0 H ALA A 10 -1.799 5.744 -14.455 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.282 5.569 -13.199 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.940 8.021 -12.753 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.421 7.114 -12.554 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.701 8.069 -14.029 1.00 0.00 H new ATOM 174 N LEU A 11 -6.148 6.352 -14.563 1.00 0.00 N ATOM 175 CA LEU A 11 -7.329 6.735 -15.404 1.00 0.00 C ATOM 176 C LEU A 11 -7.716 8.199 -15.137 1.00 0.00 C ATOM 177 O LEU A 11 -8.119 8.908 -16.039 1.00 0.00 O ATOM 178 CB LEU A 11 -8.515 5.801 -15.061 1.00 0.00 C ATOM 179 CG LEU A 11 -9.565 5.798 -16.222 1.00 0.00 C ATOM 180 CD1 LEU A 11 -9.154 4.758 -17.313 1.00 0.00 C ATOM 181 CD2 LEU A 11 -10.983 5.465 -15.660 1.00 0.00 C ATOM 0 H LEU A 11 -6.381 5.831 -13.718 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.075 6.632 -16.459 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.150 4.788 -14.890 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.988 6.130 -14.136 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.594 6.788 -16.677 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.891 4.763 -18.116 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.176 5.021 -17.716 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.109 3.764 -16.869 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.707 5.465 -16.475 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.966 4.482 -15.190 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.267 6.215 -14.922 1.00 0.00 H new ATOM 193 N TYR A 12 -7.580 8.594 -13.894 1.00 0.00 N ATOM 194 CA TYR A 12 -8.000 9.963 -13.460 1.00 0.00 C ATOM 195 C TYR A 12 -7.067 10.498 -12.373 1.00 0.00 C ATOM 196 O TYR A 12 -6.305 9.763 -11.773 1.00 0.00 O ATOM 197 CB TYR A 12 -9.452 9.894 -12.925 1.00 0.00 C ATOM 198 CG TYR A 12 -10.396 10.492 -13.976 1.00 0.00 C ATOM 199 CD1 TYR A 12 -10.615 11.855 -14.018 1.00 0.00 C ATOM 200 CD2 TYR A 12 -11.030 9.679 -14.894 1.00 0.00 C ATOM 201 CE1 TYR A 12 -11.457 12.398 -14.964 1.00 0.00 C ATOM 202 CE2 TYR A 12 -11.874 10.221 -15.839 1.00 0.00 C ATOM 203 CZ TYR A 12 -12.091 11.584 -15.881 1.00 0.00 C ATOM 204 OH TYR A 12 -12.934 12.128 -16.829 1.00 0.00 O ATOM 0 H TYR A 12 -7.189 8.016 -13.150 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.948 10.641 -14.312 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.728 8.861 -12.715 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.535 10.443 -11.987 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.123 12.500 -13.305 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.864 8.612 -14.871 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -11.622 13.465 -14.988 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -12.368 9.576 -16.551 1.00 0.00 H new ATOM 0 HH TYR A 12 -13.295 11.414 -17.394 1.00 0.00 H new ATOM 214 N ASP A 13 -7.177 11.784 -12.165 1.00 0.00 N ATOM 215 CA ASP A 13 -6.363 12.494 -11.138 1.00 0.00 C ATOM 216 C ASP A 13 -6.944 12.215 -9.745 1.00 0.00 C ATOM 217 O ASP A 13 -8.096 12.515 -9.487 1.00 0.00 O ATOM 218 CB ASP A 13 -6.383 14.028 -11.425 1.00 0.00 C ATOM 219 CG ASP A 13 -7.383 14.404 -12.540 1.00 0.00 C ATOM 220 OD1 ASP A 13 -8.527 14.639 -12.186 1.00 0.00 O ATOM 221 OD2 ASP A 13 -6.947 14.431 -13.679 1.00 0.00 O ATOM 0 H ASP A 13 -7.817 12.388 -12.681 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.334 12.137 -11.176 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.643 14.563 -10.511 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.383 14.355 -11.712 1.00 0.00 H new ATOM 226 N TYR A 14 -6.122 11.649 -8.896 1.00 0.00 N ATOM 227 CA TYR A 14 -6.524 11.346 -7.486 1.00 0.00 C ATOM 228 C TYR A 14 -5.475 11.920 -6.521 1.00 0.00 C ATOM 229 O TYR A 14 -4.297 11.669 -6.668 1.00 0.00 O ATOM 230 CB TYR A 14 -6.631 9.810 -7.347 1.00 0.00 C ATOM 231 CG TYR A 14 -6.657 9.359 -5.869 1.00 0.00 C ATOM 232 CD1 TYR A 14 -7.843 9.287 -5.165 1.00 0.00 C ATOM 233 CD2 TYR A 14 -5.483 9.010 -5.229 1.00 0.00 C ATOM 234 CE1 TYR A 14 -7.853 8.873 -3.847 1.00 0.00 C ATOM 235 CE2 TYR A 14 -5.491 8.596 -3.913 1.00 0.00 C ATOM 236 CZ TYR A 14 -6.676 8.525 -3.212 1.00 0.00 C ATOM 237 OH TYR A 14 -6.684 8.111 -1.894 1.00 0.00 O ATOM 0 H TYR A 14 -5.166 11.378 -9.127 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.484 11.801 -7.242 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.536 9.464 -7.847 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.787 9.341 -7.854 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.770 9.557 -5.649 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.547 9.062 -5.766 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.788 8.821 -3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.564 8.326 -3.429 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.769 7.905 -1.610 1.00 0.00 H new ATOM 247 N LYS A 15 -5.942 12.671 -5.559 1.00 0.00 N ATOM 248 CA LYS A 15 -5.072 13.175 -4.458 1.00 0.00 C ATOM 249 C LYS A 15 -5.136 12.207 -3.266 1.00 0.00 C ATOM 250 O LYS A 15 -6.071 11.438 -3.147 1.00 0.00 O ATOM 251 CB LYS A 15 -5.567 14.590 -4.034 1.00 0.00 C ATOM 252 CG LYS A 15 -7.029 14.875 -4.482 1.00 0.00 C ATOM 253 CD LYS A 15 -7.517 16.225 -3.916 1.00 0.00 C ATOM 254 CE LYS A 15 -9.050 16.330 -4.089 1.00 0.00 C ATOM 255 NZ LYS A 15 -9.743 15.900 -2.839 1.00 0.00 N ATOM 0 H LYS A 15 -6.917 12.963 -5.490 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.038 13.240 -4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.499 14.684 -2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.907 15.344 -4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.085 14.889 -5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.683 14.073 -4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.252 16.307 -2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.024 17.048 -4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.326 17.356 -4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.372 15.708 -4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.772 15.975 -2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.492 14.914 -2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.448 16.511 -2.051 1.00 0.00 H new ATOM 269 N LYS A 16 -4.140 12.280 -2.417 1.00 0.00 N ATOM 270 CA LYS A 16 -4.049 11.335 -1.257 1.00 0.00 C ATOM 271 C LYS A 16 -4.790 11.920 -0.046 1.00 0.00 C ATOM 272 O LYS A 16 -4.870 13.123 0.115 1.00 0.00 O ATOM 273 CB LYS A 16 -2.561 11.098 -0.885 1.00 0.00 C ATOM 274 CG LYS A 16 -1.779 12.439 -0.757 1.00 0.00 C ATOM 275 CD LYS A 16 -1.098 12.545 0.625 1.00 0.00 C ATOM 276 CE LYS A 16 -0.272 13.847 0.690 1.00 0.00 C ATOM 277 NZ LYS A 16 1.011 13.686 -0.053 1.00 0.00 N ATOM 0 H LYS A 16 -3.380 12.958 -2.477 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.508 10.387 -1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.504 10.552 0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.091 10.474 -1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.028 12.504 -1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.461 13.278 -0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.849 12.538 1.415 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.452 11.683 0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.845 14.671 0.264 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.068 14.104 1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.799 14.014 0.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.151 12.683 -0.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.979 14.248 -0.927 1.00 0.00 H new ATOM 291 N GLU A 17 -5.305 11.030 0.764 1.00 0.00 N ATOM 292 CA GLU A 17 -6.069 11.424 1.991 1.00 0.00 C ATOM 293 C GLU A 17 -5.436 10.779 3.235 1.00 0.00 C ATOM 294 O GLU A 17 -5.789 11.109 4.351 1.00 0.00 O ATOM 295 CB GLU A 17 -7.533 10.960 1.815 1.00 0.00 C ATOM 296 CG GLU A 17 -8.469 11.760 2.753 1.00 0.00 C ATOM 297 CD GLU A 17 -9.926 11.270 2.602 1.00 0.00 C ATOM 298 OE1 GLU A 17 -10.143 10.095 2.860 1.00 0.00 O ATOM 299 OE2 GLU A 17 -10.746 12.097 2.239 1.00 0.00 O ATOM 0 H GLU A 17 -5.227 10.023 0.624 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.041 12.505 2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.842 11.097 0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.612 9.895 2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.144 11.644 3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.409 12.823 2.518 1.00 0.00 H new ATOM 306 N ARG A 18 -4.516 9.878 2.995 1.00 0.00 N ATOM 307 CA ARG A 18 -3.820 9.146 4.098 1.00 0.00 C ATOM 308 C ARG A 18 -2.330 8.999 3.768 1.00 0.00 C ATOM 309 O ARG A 18 -1.939 8.981 2.616 1.00 0.00 O ATOM 310 CB ARG A 18 -4.482 7.761 4.255 1.00 0.00 C ATOM 311 CG ARG A 18 -3.968 7.051 5.536 1.00 0.00 C ATOM 312 CD ARG A 18 -5.060 6.119 6.091 1.00 0.00 C ATOM 313 NE ARG A 18 -6.005 6.946 6.905 1.00 0.00 N ATOM 314 CZ ARG A 18 -7.276 6.647 6.999 1.00 0.00 C ATOM 315 NH1 ARG A 18 -7.683 5.419 6.820 1.00 0.00 N ATOM 316 NH2 ARG A 18 -8.111 7.609 7.279 1.00 0.00 N ATOM 0 H ARG A 18 -4.211 9.613 2.058 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.905 9.700 5.033 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.565 7.873 4.305 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.265 7.147 3.381 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.069 6.478 5.309 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.693 7.791 6.287 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.590 5.626 5.276 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.616 5.334 6.703 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.649 7.764 7.400 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.009 4.684 6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.675 5.195 6.895 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.767 8.559 7.417 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.108 7.411 7.360 1.00 0.00 H new ATOM 330 N GLU A 19 -1.551 8.894 4.817 1.00 0.00 N ATOM 331 CA GLU A 19 -0.079 8.637 4.698 1.00 0.00 C ATOM 332 C GLU A 19 0.254 7.305 3.998 1.00 0.00 C ATOM 333 O GLU A 19 1.392 7.058 3.647 1.00 0.00 O ATOM 334 CB GLU A 19 0.531 8.645 6.119 1.00 0.00 C ATOM 335 CG GLU A 19 -0.249 7.688 7.058 1.00 0.00 C ATOM 336 CD GLU A 19 0.590 7.396 8.315 1.00 0.00 C ATOM 337 OE1 GLU A 19 0.778 8.333 9.075 1.00 0.00 O ATOM 338 OE2 GLU A 19 0.997 6.252 8.449 1.00 0.00 O ATOM 0 H GLU A 19 -1.883 8.978 5.778 1.00 0.00 H new ATOM 0 HA GLU A 19 0.346 9.424 4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.577 8.343 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.509 9.657 6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.201 8.137 7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.477 6.758 6.537 1.00 0.00 H new ATOM 345 N GLU A 20 -0.757 6.495 3.818 1.00 0.00 N ATOM 346 CA GLU A 20 -0.596 5.183 3.121 1.00 0.00 C ATOM 347 C GLU A 20 -0.586 5.384 1.599 1.00 0.00 C ATOM 348 O GLU A 20 0.114 4.685 0.889 1.00 0.00 O ATOM 349 CB GLU A 20 -1.764 4.262 3.525 1.00 0.00 C ATOM 350 CG GLU A 20 -1.476 3.612 4.898 1.00 0.00 C ATOM 351 CD GLU A 20 -0.513 2.422 4.711 1.00 0.00 C ATOM 352 OE1 GLU A 20 -1.020 1.355 4.402 1.00 0.00 O ATOM 353 OE2 GLU A 20 0.674 2.646 4.886 1.00 0.00 O ATOM 0 H GLU A 20 -1.707 6.692 4.131 1.00 0.00 H new ATOM 0 HA GLU A 20 0.352 4.729 3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.690 4.835 3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.906 3.489 2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.038 4.345 5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.406 3.273 5.354 1.00 0.00 H new ATOM 360 N ASP A 21 -1.366 6.337 1.153 1.00 0.00 N ATOM 361 CA ASP A 21 -1.454 6.648 -0.309 1.00 0.00 C ATOM 362 C ASP A 21 -0.574 7.840 -0.669 1.00 0.00 C ATOM 363 O ASP A 21 0.054 8.445 0.179 1.00 0.00 O ATOM 364 CB ASP A 21 -2.922 6.967 -0.686 1.00 0.00 C ATOM 365 CG ASP A 21 -3.909 5.978 -0.037 1.00 0.00 C ATOM 366 OD1 ASP A 21 -3.558 4.812 0.068 1.00 0.00 O ATOM 367 OD2 ASP A 21 -4.973 6.460 0.315 1.00 0.00 O ATOM 0 H ASP A 21 -1.954 6.921 1.748 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.106 5.777 -0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.165 7.982 -0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.034 6.934 -1.770 1.00 0.00 H new ATOM 372 N ILE A 22 -0.577 8.122 -1.945 1.00 0.00 N ATOM 373 CA ILE A 22 0.314 9.179 -2.525 1.00 0.00 C ATOM 374 C ILE A 22 -0.433 9.959 -3.610 1.00 0.00 C ATOM 375 O ILE A 22 -1.536 9.615 -3.991 1.00 0.00 O ATOM 376 CB ILE A 22 1.591 8.534 -3.158 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.227 7.249 -3.975 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.638 8.203 -2.060 1.00 0.00 C ATOM 379 CD1 ILE A 22 2.251 7.022 -5.113 1.00 0.00 C ATOM 0 H ILE A 22 -1.173 7.654 -2.628 1.00 0.00 H new ATOM 0 HA ILE A 22 0.609 9.852 -1.720 1.00 0.00 H new ATOM 0 HB ILE A 22 2.028 9.259 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.211 6.383 -3.314 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.225 7.349 -4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.519 7.755 -2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.925 9.119 -1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.206 7.502 -1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.982 6.125 -5.670 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.246 7.881 -5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.247 6.900 -4.687 1.00 0.00 H new ATOM 391 N ASP A 23 0.216 10.996 -4.066 1.00 0.00 N ATOM 392 CA ASP A 23 -0.415 11.960 -5.015 1.00 0.00 C ATOM 393 C ASP A 23 -0.396 11.355 -6.429 1.00 0.00 C ATOM 394 O ASP A 23 0.638 10.916 -6.897 1.00 0.00 O ATOM 395 CB ASP A 23 0.384 13.285 -4.971 1.00 0.00 C ATOM 396 CG ASP A 23 0.698 13.672 -3.507 1.00 0.00 C ATOM 397 OD1 ASP A 23 1.736 13.237 -3.033 1.00 0.00 O ATOM 398 OD2 ASP A 23 -0.119 14.380 -2.940 1.00 0.00 O ATOM 0 H ASP A 23 1.179 11.221 -3.815 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.450 12.159 -4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.312 13.177 -5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.189 14.079 -5.450 1.00 0.00 H new ATOM 403 N LEU A 24 -1.544 11.351 -7.059 1.00 0.00 N ATOM 404 CA LEU A 24 -1.715 10.677 -8.388 1.00 0.00 C ATOM 405 C LEU A 24 -2.335 11.649 -9.391 1.00 0.00 C ATOM 406 O LEU A 24 -3.216 12.415 -9.054 1.00 0.00 O ATOM 407 CB LEU A 24 -2.651 9.446 -8.274 1.00 0.00 C ATOM 408 CG LEU A 24 -2.136 8.412 -7.243 1.00 0.00 C ATOM 409 CD1 LEU A 24 -3.155 7.237 -7.146 1.00 0.00 C ATOM 410 CD2 LEU A 24 -0.730 7.877 -7.646 1.00 0.00 C ATOM 0 H LEU A 24 -2.390 11.796 -6.702 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.728 10.356 -8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.649 9.776 -7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.741 8.969 -9.250 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.042 8.896 -6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.798 6.505 -6.421 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.124 7.621 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.257 6.762 -8.122 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.391 7.152 -6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.790 7.397 -8.623 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.024 8.707 -7.692 1.00 0.00 H new ATOM 422 N HIS A 25 -1.846 11.582 -10.600 1.00 0.00 N ATOM 423 CA HIS A 25 -2.301 12.518 -11.677 1.00 0.00 C ATOM 424 C HIS A 25 -2.426 11.743 -12.995 1.00 0.00 C ATOM 425 O HIS A 25 -2.281 10.537 -13.019 1.00 0.00 O ATOM 426 CB HIS A 25 -1.275 13.690 -11.850 1.00 0.00 C ATOM 427 CG HIS A 25 -0.309 13.801 -10.672 1.00 0.00 C ATOM 428 ND1 HIS A 25 -0.644 13.946 -9.430 1.00 0.00 N ATOM 429 CD2 HIS A 25 1.069 13.772 -10.656 1.00 0.00 C ATOM 430 CE1 HIS A 25 0.423 14.003 -8.698 1.00 0.00 C ATOM 431 NE2 HIS A 25 1.510 13.899 -9.419 1.00 0.00 N ATOM 0 H HIS A 25 -1.139 10.908 -10.895 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.268 12.939 -11.401 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.707 13.539 -12.768 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.817 14.629 -11.961 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -1.601 14.006 -9.082 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.696 13.661 -11.528 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.416 14.122 -7.625 1.00 0.00 H new ATOM 439 N LEU A 26 -2.689 12.465 -14.056 1.00 0.00 N ATOM 440 CA LEU A 26 -2.774 11.830 -15.406 1.00 0.00 C ATOM 441 C LEU A 26 -1.372 11.498 -15.938 1.00 0.00 C ATOM 442 O LEU A 26 -0.401 12.140 -15.587 1.00 0.00 O ATOM 443 CB LEU A 26 -3.496 12.809 -16.374 1.00 0.00 C ATOM 444 CG LEU A 26 -4.975 12.359 -16.563 1.00 0.00 C ATOM 445 CD1 LEU A 26 -5.783 13.493 -17.263 1.00 0.00 C ATOM 446 CD2 LEU A 26 -5.035 11.040 -17.403 1.00 0.00 C ATOM 0 H LEU A 26 -2.849 13.472 -14.044 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.335 10.898 -15.333 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.462 13.823 -15.975 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.985 12.828 -17.337 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.419 12.163 -15.587 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.817 13.175 -17.394 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.755 14.393 -16.648 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.343 13.705 -18.237 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.074 10.735 -17.528 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.586 11.211 -18.382 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.486 10.253 -16.885 1.00 0.00 H new ATOM 458 N GLY A 27 -1.322 10.491 -16.774 1.00 0.00 N ATOM 459 CA GLY A 27 -0.021 9.989 -17.322 1.00 0.00 C ATOM 460 C GLY A 27 0.889 9.334 -16.271 1.00 0.00 C ATOM 461 O GLY A 27 1.903 8.761 -16.619 1.00 0.00 O ATOM 0 H GLY A 27 -2.143 9.985 -17.107 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.226 9.266 -18.111 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.513 10.821 -17.782 1.00 0.00 H new ATOM 465 N ASP A 28 0.500 9.436 -15.023 1.00 0.00 N ATOM 466 CA ASP A 28 1.243 8.746 -13.926 1.00 0.00 C ATOM 467 C ASP A 28 1.204 7.242 -14.192 1.00 0.00 C ATOM 468 O ASP A 28 0.171 6.619 -14.015 1.00 0.00 O ATOM 469 CB ASP A 28 0.568 9.047 -12.567 1.00 0.00 C ATOM 470 CG ASP A 28 0.802 10.504 -12.120 1.00 0.00 C ATOM 471 OD1 ASP A 28 0.690 11.382 -12.961 1.00 0.00 O ATOM 472 OD2 ASP A 28 1.078 10.663 -10.942 1.00 0.00 O ATOM 0 H ASP A 28 -0.310 9.974 -14.716 1.00 0.00 H new ATOM 0 HA ASP A 28 2.274 9.098 -13.894 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.503 8.858 -12.644 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.958 8.367 -11.809 1.00 0.00 H new ATOM 477 N ILE A 29 2.320 6.699 -14.610 1.00 0.00 N ATOM 478 CA ILE A 29 2.420 5.219 -14.734 1.00 0.00 C ATOM 479 C ILE A 29 3.122 4.688 -13.501 1.00 0.00 C ATOM 480 O ILE A 29 4.199 5.124 -13.137 1.00 0.00 O ATOM 481 CB ILE A 29 3.196 4.878 -16.052 1.00 0.00 C ATOM 482 CG1 ILE A 29 2.087 4.699 -17.100 1.00 0.00 C ATOM 483 CG2 ILE A 29 4.024 3.544 -15.961 1.00 0.00 C ATOM 484 CD1 ILE A 29 2.639 4.667 -18.535 1.00 0.00 C ATOM 0 H ILE A 29 3.160 7.216 -14.869 1.00 0.00 H new ATOM 0 HA ILE A 29 1.438 4.750 -14.796 1.00 0.00 H new ATOM 0 HB ILE A 29 3.920 5.661 -16.279 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.547 3.773 -16.900 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.368 5.513 -17.008 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.536 3.368 -16.907 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.759 3.626 -15.160 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.352 2.712 -15.753 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.816 4.539 -19.239 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.155 5.603 -18.747 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.337 3.836 -18.638 1.00 0.00 H new ATOM 496 N LEU A 30 2.445 3.745 -12.907 1.00 0.00 N ATOM 497 CA LEU A 30 2.970 3.067 -11.697 1.00 0.00 C ATOM 498 C LEU A 30 3.448 1.657 -12.094 1.00 0.00 C ATOM 499 O LEU A 30 3.017 1.121 -13.097 1.00 0.00 O ATOM 500 CB LEU A 30 1.834 2.987 -10.648 1.00 0.00 C ATOM 501 CG LEU A 30 1.638 4.335 -9.875 1.00 0.00 C ATOM 502 CD1 LEU A 30 1.314 5.504 -10.854 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.461 4.162 -8.886 1.00 0.00 C ATOM 0 H LEU A 30 1.533 3.412 -13.218 1.00 0.00 H new ATOM 0 HA LEU A 30 3.809 3.617 -11.270 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.902 2.718 -11.146 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.056 2.192 -9.936 1.00 0.00 H new ATOM 0 HG LEU A 30 2.560 4.578 -9.348 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.183 6.427 -10.288 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.135 5.625 -11.561 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.397 5.279 -11.398 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.308 5.091 -8.337 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.445 3.913 -9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.690 3.360 -8.185 1.00 0.00 H new ATOM 515 N THR A 31 4.320 1.106 -11.289 1.00 0.00 N ATOM 516 CA THR A 31 5.010 -0.183 -11.629 1.00 0.00 C ATOM 517 C THR A 31 4.966 -1.080 -10.375 1.00 0.00 C ATOM 518 O THR A 31 5.012 -0.573 -9.271 1.00 0.00 O ATOM 519 CB THR A 31 6.476 0.155 -12.046 1.00 0.00 C ATOM 520 OG1 THR A 31 6.439 0.392 -13.449 1.00 0.00 O ATOM 521 CG2 THR A 31 7.435 -1.038 -11.893 1.00 0.00 C ATOM 0 H THR A 31 4.591 1.502 -10.389 1.00 0.00 H new ATOM 0 HA THR A 31 4.529 -0.710 -12.453 1.00 0.00 H new ATOM 0 HB THR A 31 6.819 0.983 -11.425 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.761 -0.403 -13.924 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.438 -0.740 -12.198 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.453 -1.359 -10.851 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.094 -1.862 -12.521 1.00 0.00 H new ATOM 529 N VAL A 32 4.878 -2.378 -10.562 1.00 0.00 N ATOM 530 CA VAL A 32 4.830 -3.333 -9.396 1.00 0.00 C ATOM 531 C VAL A 32 6.025 -4.302 -9.478 1.00 0.00 C ATOM 532 O VAL A 32 6.950 -4.075 -10.235 1.00 0.00 O ATOM 533 CB VAL A 32 3.482 -4.173 -9.403 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.011 -4.445 -7.936 1.00 0.00 C ATOM 535 CG2 VAL A 32 2.343 -3.490 -10.210 1.00 0.00 C ATOM 0 H VAL A 32 4.837 -2.824 -11.479 1.00 0.00 H new ATOM 0 HA VAL A 32 4.876 -2.752 -8.475 1.00 0.00 H new ATOM 0 HB VAL A 32 3.702 -5.115 -9.904 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.086 -5.021 -7.952 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.780 -5.007 -7.405 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.839 -3.496 -7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.449 -4.113 -10.177 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.122 -2.515 -9.774 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.657 -3.362 -11.246 1.00 0.00 H new ATOM 545 N ASN A 33 5.973 -5.353 -8.695 1.00 0.00 N ATOM 546 CA ASN A 33 6.997 -6.437 -8.794 1.00 0.00 C ATOM 547 C ASN A 33 6.635 -7.461 -9.876 1.00 0.00 C ATOM 548 O ASN A 33 5.486 -7.660 -10.215 1.00 0.00 O ATOM 549 CB ASN A 33 7.114 -7.143 -7.425 1.00 0.00 C ATOM 550 CG ASN A 33 8.179 -6.422 -6.590 1.00 0.00 C ATOM 551 OD1 ASN A 33 7.879 -5.642 -5.707 1.00 0.00 O ATOM 552 ND2 ASN A 33 9.437 -6.663 -6.845 1.00 0.00 N ATOM 0 H ASN A 33 5.257 -5.506 -7.985 1.00 0.00 H new ATOM 0 HA ASN A 33 7.950 -5.987 -9.072 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.154 -7.127 -6.908 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.386 -8.190 -7.562 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.165 -6.197 -6.304 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.691 -7.317 -7.585 1.00 0.00 H new ATOM 559 N LYS A 34 7.680 -8.070 -10.373 1.00 0.00 N ATOM 560 CA LYS A 34 7.583 -9.105 -11.450 1.00 0.00 C ATOM 561 C LYS A 34 7.665 -10.479 -10.781 1.00 0.00 C ATOM 562 O LYS A 34 6.796 -11.310 -10.954 1.00 0.00 O ATOM 563 CB LYS A 34 8.762 -8.939 -12.474 1.00 0.00 C ATOM 564 CG LYS A 34 9.831 -7.935 -11.964 1.00 0.00 C ATOM 565 CD LYS A 34 11.031 -7.878 -12.933 1.00 0.00 C ATOM 566 CE LYS A 34 12.149 -7.005 -12.318 1.00 0.00 C ATOM 567 NZ LYS A 34 12.653 -7.608 -11.048 1.00 0.00 N ATOM 0 H LYS A 34 8.635 -7.885 -10.065 1.00 0.00 H new ATOM 0 HA LYS A 34 6.645 -8.996 -11.995 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.229 -9.908 -12.651 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.367 -8.595 -13.430 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.389 -6.944 -11.866 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.172 -8.231 -10.972 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.405 -8.884 -13.126 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.718 -7.465 -13.892 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.969 -6.903 -13.028 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.769 -6.002 -12.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.615 -7.262 -10.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.026 -7.338 -10.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.669 -8.644 -11.138 1.00 0.00 H new ATOM 581 N GLY A 35 8.719 -10.661 -10.029 1.00 0.00 N ATOM 582 CA GLY A 35 9.008 -11.984 -9.398 1.00 0.00 C ATOM 583 C GLY A 35 8.596 -11.983 -7.926 1.00 0.00 C ATOM 584 O GLY A 35 8.925 -12.896 -7.193 1.00 0.00 O ATOM 0 H GLY A 35 9.405 -9.935 -9.822 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.473 -12.771 -9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.071 -12.208 -9.483 1.00 0.00 H new ATOM 588 N SER A 36 7.890 -10.950 -7.543 1.00 0.00 N ATOM 589 CA SER A 36 7.569 -10.728 -6.102 1.00 0.00 C ATOM 590 C SER A 36 6.288 -9.882 -5.998 1.00 0.00 C ATOM 591 O SER A 36 6.178 -9.004 -5.164 1.00 0.00 O ATOM 592 CB SER A 36 8.792 -10.018 -5.456 1.00 0.00 C ATOM 593 OG SER A 36 8.562 -10.084 -4.054 1.00 0.00 O ATOM 0 H SER A 36 7.518 -10.242 -8.176 1.00 0.00 H new ATOM 0 HA SER A 36 7.384 -11.664 -5.576 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.724 -10.515 -5.726 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.872 -8.985 -5.794 1.00 0.00 H new ATOM 0 HG SER A 36 7.690 -9.687 -3.846 1.00 0.00 H new ATOM 599 N LEU A 37 5.352 -10.185 -6.867 1.00 0.00 N ATOM 600 CA LEU A 37 3.970 -9.603 -6.752 1.00 0.00 C ATOM 601 C LEU A 37 3.329 -10.012 -5.407 1.00 0.00 C ATOM 602 O LEU A 37 2.562 -9.273 -4.820 1.00 0.00 O ATOM 603 CB LEU A 37 3.127 -10.110 -7.993 1.00 0.00 C ATOM 604 CG LEU A 37 2.030 -11.187 -7.654 1.00 0.00 C ATOM 605 CD1 LEU A 37 0.855 -10.551 -6.841 1.00 0.00 C ATOM 606 CD2 LEU A 37 1.468 -11.818 -8.964 1.00 0.00 C ATOM 0 H LEU A 37 5.485 -10.815 -7.658 1.00 0.00 H new ATOM 0 HA LEU A 37 4.002 -8.514 -6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.642 -9.252 -8.459 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.811 -10.529 -8.731 1.00 0.00 H new ATOM 0 HG LEU A 37 2.499 -11.962 -7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.110 -11.315 -6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.240 -10.138 -5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.395 -9.756 -7.428 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.711 -12.561 -8.714 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.022 -11.038 -9.581 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.278 -12.297 -9.514 1.00 0.00 H new ATOM 618 N VAL A 38 3.696 -11.197 -4.986 1.00 0.00 N ATOM 619 CA VAL A 38 3.333 -11.771 -3.649 1.00 0.00 C ATOM 620 C VAL A 38 3.674 -10.839 -2.476 1.00 0.00 C ATOM 621 O VAL A 38 3.316 -11.105 -1.345 1.00 0.00 O ATOM 622 CB VAL A 38 4.071 -13.130 -3.464 1.00 0.00 C ATOM 623 CG1 VAL A 38 3.350 -13.918 -2.338 1.00 0.00 C ATOM 624 CG2 VAL A 38 4.088 -13.964 -4.790 1.00 0.00 C ATOM 0 H VAL A 38 4.267 -11.827 -5.550 1.00 0.00 H new ATOM 0 HA VAL A 38 2.251 -11.906 -3.638 1.00 0.00 H new ATOM 0 HB VAL A 38 5.111 -12.942 -3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.848 -14.876 -2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.383 -13.343 -1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.312 -14.089 -2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.611 -14.905 -4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.065 -14.169 -5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.600 -13.399 -5.569 1.00 0.00 H new ATOM 634 N ALA A 39 4.371 -9.787 -2.807 1.00 0.00 N ATOM 635 CA ALA A 39 4.640 -8.618 -1.908 1.00 0.00 C ATOM 636 C ALA A 39 3.506 -8.403 -0.898 1.00 0.00 C ATOM 637 O ALA A 39 3.721 -8.116 0.262 1.00 0.00 O ATOM 638 CB ALA A 39 4.794 -7.356 -2.773 1.00 0.00 C ATOM 0 H ALA A 39 4.795 -9.683 -3.729 1.00 0.00 H new ATOM 0 HA ALA A 39 5.552 -8.820 -1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.990 -6.497 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.625 -7.489 -3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.876 -7.186 -3.336 1.00 0.00 H new ATOM 644 N LEU A 40 2.323 -8.566 -1.423 1.00 0.00 N ATOM 645 CA LEU A 40 1.073 -8.368 -0.631 1.00 0.00 C ATOM 646 C LEU A 40 0.672 -9.644 0.110 1.00 0.00 C ATOM 647 O LEU A 40 0.247 -9.612 1.248 1.00 0.00 O ATOM 648 CB LEU A 40 -0.016 -7.938 -1.613 1.00 0.00 C ATOM 649 CG LEU A 40 0.311 -6.481 -2.091 1.00 0.00 C ATOM 650 CD1 LEU A 40 0.138 -6.340 -3.634 1.00 0.00 C ATOM 651 CD2 LEU A 40 -0.574 -5.467 -1.332 1.00 0.00 C ATOM 0 H LEU A 40 2.166 -8.835 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 40 1.226 -7.606 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.053 -8.619 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.995 -7.972 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 40 1.356 -6.267 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.372 -5.319 -3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.812 -7.031 -4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.891 -6.572 -3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.341 -4.457 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.624 -5.682 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.382 -5.546 -0.262 1.00 0.00 H new ATOM 663 N GLY A 41 0.841 -10.720 -0.601 1.00 0.00 N ATOM 664 CA GLY A 41 0.405 -12.071 -0.135 1.00 0.00 C ATOM 665 C GLY A 41 -0.641 -12.646 -1.087 1.00 0.00 C ATOM 666 O GLY A 41 -1.348 -13.573 -0.750 1.00 0.00 O ATOM 0 H GLY A 41 1.280 -10.722 -1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.264 -12.740 -0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.008 -12.001 0.871 1.00 0.00 H new ATOM 670 N PHE A 42 -0.695 -12.063 -2.258 1.00 0.00 N ATOM 671 CA PHE A 42 -1.654 -12.527 -3.308 1.00 0.00 C ATOM 672 C PHE A 42 -1.291 -13.923 -3.837 1.00 0.00 C ATOM 673 O PHE A 42 -0.277 -14.491 -3.467 1.00 0.00 O ATOM 674 CB PHE A 42 -1.636 -11.506 -4.474 1.00 0.00 C ATOM 675 CG PHE A 42 -2.878 -10.600 -4.424 1.00 0.00 C ATOM 676 CD1 PHE A 42 -4.142 -11.124 -4.617 1.00 0.00 C ATOM 677 CD2 PHE A 42 -2.738 -9.244 -4.190 1.00 0.00 C ATOM 678 CE1 PHE A 42 -5.249 -10.303 -4.576 1.00 0.00 C ATOM 679 CE2 PHE A 42 -3.843 -8.422 -4.149 1.00 0.00 C ATOM 680 CZ PHE A 42 -5.103 -8.951 -4.342 1.00 0.00 C ATOM 0 H PHE A 42 -0.108 -11.276 -2.535 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.648 -12.594 -2.867 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.734 -10.897 -4.417 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.604 -12.035 -5.426 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.263 -12.181 -4.801 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.754 -8.826 -4.038 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.234 -10.720 -4.728 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.723 -7.364 -3.966 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.971 -8.309 -4.310 1.00 0.00 H new ATOM 690 N SER A 43 -2.144 -14.432 -4.687 1.00 0.00 N ATOM 691 CA SER A 43 -1.891 -15.735 -5.383 1.00 0.00 C ATOM 692 C SER A 43 -1.688 -15.455 -6.883 1.00 0.00 C ATOM 693 O SER A 43 -2.231 -14.507 -7.412 1.00 0.00 O ATOM 694 CB SER A 43 -3.132 -16.669 -5.074 1.00 0.00 C ATOM 695 OG SER A 43 -3.803 -17.040 -6.277 1.00 0.00 O ATOM 0 H SER A 43 -3.029 -13.989 -4.936 1.00 0.00 H new ATOM 0 HA SER A 43 -0.990 -16.242 -5.037 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.797 -17.564 -4.549 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.825 -16.151 -4.411 1.00 0.00 H new ATOM 0 HG SER A 43 -4.565 -17.618 -6.062 1.00 0.00 H new ATOM 701 N ASP A 44 -0.909 -16.305 -7.507 1.00 0.00 N ATOM 702 CA ASP A 44 -0.773 -16.286 -8.997 1.00 0.00 C ATOM 703 C ASP A 44 -2.151 -16.354 -9.681 1.00 0.00 C ATOM 704 O ASP A 44 -2.818 -17.370 -9.640 1.00 0.00 O ATOM 705 CB ASP A 44 0.106 -17.492 -9.426 1.00 0.00 C ATOM 706 CG ASP A 44 0.822 -17.174 -10.755 1.00 0.00 C ATOM 707 OD1 ASP A 44 0.126 -16.794 -11.684 1.00 0.00 O ATOM 708 OD2 ASP A 44 2.032 -17.331 -10.771 1.00 0.00 O ATOM 0 H ASP A 44 -0.354 -17.022 -7.040 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.303 -15.352 -9.305 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.840 -17.712 -8.651 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.513 -18.382 -9.540 1.00 0.00 H new ATOM 713 N GLY A 45 -2.524 -15.249 -10.282 1.00 0.00 N ATOM 714 CA GLY A 45 -3.851 -15.122 -10.952 1.00 0.00 C ATOM 715 C GLY A 45 -3.658 -14.396 -12.280 1.00 0.00 C ATOM 716 O GLY A 45 -3.110 -14.946 -13.215 1.00 0.00 O ATOM 0 H GLY A 45 -1.946 -14.410 -10.335 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.286 -16.107 -11.119 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.544 -14.571 -10.317 1.00 0.00 H new ATOM 720 N GLN A 46 -4.116 -13.174 -12.303 1.00 0.00 N ATOM 721 CA GLN A 46 -4.071 -12.340 -13.520 1.00 0.00 C ATOM 722 C GLN A 46 -4.048 -10.876 -13.056 1.00 0.00 C ATOM 723 O GLN A 46 -5.071 -10.248 -12.864 1.00 0.00 O ATOM 724 CB GLN A 46 -5.317 -12.673 -14.352 1.00 0.00 C ATOM 725 CG GLN A 46 -5.342 -11.774 -15.583 1.00 0.00 C ATOM 726 CD GLN A 46 -5.926 -12.534 -16.786 1.00 0.00 C ATOM 727 OE1 GLN A 46 -6.976 -13.139 -16.710 1.00 0.00 O ATOM 728 NE2 GLN A 46 -5.276 -12.531 -17.918 1.00 0.00 N ATOM 0 H GLN A 46 -4.533 -12.711 -11.495 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.193 -12.522 -14.140 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.302 -13.721 -14.651 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.218 -12.524 -13.758 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.939 -10.885 -15.381 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.333 -11.434 -15.814 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.393 -12.027 -17.998 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.652 -13.032 -18.723 1.00 0.00 H new ATOM 737 N GLU A 47 -2.843 -10.392 -12.892 1.00 0.00 N ATOM 738 CA GLU A 47 -2.596 -8.937 -12.624 1.00 0.00 C ATOM 739 C GLU A 47 -3.225 -8.012 -13.682 1.00 0.00 C ATOM 740 O GLU A 47 -3.332 -6.818 -13.479 1.00 0.00 O ATOM 741 CB GLU A 47 -1.069 -8.713 -12.567 1.00 0.00 C ATOM 742 CG GLU A 47 -0.516 -9.131 -11.177 1.00 0.00 C ATOM 743 CD GLU A 47 -0.494 -7.923 -10.211 1.00 0.00 C ATOM 744 OE1 GLU A 47 -1.540 -7.307 -10.069 1.00 0.00 O ATOM 745 OE2 GLU A 47 0.570 -7.679 -9.664 1.00 0.00 O ATOM 0 H GLU A 47 -1.996 -10.958 -12.933 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.071 -8.681 -11.677 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.580 -9.292 -13.350 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.841 -7.664 -12.757 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.133 -9.926 -10.759 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.491 -9.533 -11.287 1.00 0.00 H new ATOM 752 N ALA A 48 -3.625 -8.600 -14.779 1.00 0.00 N ATOM 753 CA ALA A 48 -4.305 -7.838 -15.871 1.00 0.00 C ATOM 754 C ALA A 48 -5.780 -7.532 -15.540 1.00 0.00 C ATOM 755 O ALA A 48 -6.519 -7.099 -16.401 1.00 0.00 O ATOM 756 CB ALA A 48 -4.202 -8.671 -17.175 1.00 0.00 C ATOM 0 H ALA A 48 -3.507 -9.595 -14.968 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.811 -6.874 -15.989 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.692 -8.136 -17.988 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.153 -8.829 -17.424 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.689 -9.635 -17.030 1.00 0.00 H new ATOM 762 N LYS A 49 -6.160 -7.760 -14.302 1.00 0.00 N ATOM 763 CA LYS A 49 -7.566 -7.505 -13.850 1.00 0.00 C ATOM 764 C LYS A 49 -7.548 -6.641 -12.562 1.00 0.00 C ATOM 765 O LYS A 49 -7.752 -7.150 -11.476 1.00 0.00 O ATOM 766 CB LYS A 49 -8.236 -8.901 -13.616 1.00 0.00 C ATOM 767 CG LYS A 49 -9.375 -9.146 -14.631 1.00 0.00 C ATOM 768 CD LYS A 49 -8.810 -9.216 -16.076 1.00 0.00 C ATOM 769 CE LYS A 49 -9.590 -10.245 -16.911 1.00 0.00 C ATOM 770 NZ LYS A 49 -9.320 -11.626 -16.419 1.00 0.00 N ATOM 0 H LYS A 49 -5.542 -8.119 -13.574 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.139 -6.951 -14.594 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.487 -9.688 -13.708 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.631 -8.953 -12.601 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.891 -10.076 -14.390 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.111 -8.345 -14.560 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.874 -8.234 -16.546 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.755 -9.487 -16.047 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.658 -10.034 -16.854 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.304 -10.163 -17.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.049 -12.273 -16.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.385 -11.937 -16.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.337 -11.634 -15.379 1.00 0.00 H new ATOM 784 N PRO A 50 -7.303 -5.352 -12.704 1.00 0.00 N ATOM 785 CA PRO A 50 -7.375 -4.401 -11.559 1.00 0.00 C ATOM 786 C PRO A 50 -8.802 -4.259 -10.991 1.00 0.00 C ATOM 787 O PRO A 50 -8.976 -3.777 -9.887 1.00 0.00 O ATOM 788 CB PRO A 50 -6.833 -3.069 -12.092 1.00 0.00 C ATOM 789 CG PRO A 50 -6.586 -3.240 -13.618 1.00 0.00 C ATOM 790 CD PRO A 50 -6.931 -4.696 -13.988 1.00 0.00 C ATOM 0 HA PRO A 50 -6.786 -4.764 -10.717 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.545 -2.264 -11.907 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.908 -2.800 -11.582 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.204 -2.544 -14.186 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.548 -3.018 -13.865 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.753 -4.736 -14.702 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.081 -5.195 -14.453 1.00 0.00 H new ATOM 798 N GLU A 51 -9.771 -4.686 -11.763 1.00 0.00 N ATOM 799 CA GLU A 51 -11.211 -4.453 -11.414 1.00 0.00 C ATOM 800 C GLU A 51 -11.607 -5.245 -10.157 1.00 0.00 C ATOM 801 O GLU A 51 -12.372 -4.767 -9.338 1.00 0.00 O ATOM 802 CB GLU A 51 -12.095 -4.893 -12.593 1.00 0.00 C ATOM 803 CG GLU A 51 -11.696 -4.133 -13.874 1.00 0.00 C ATOM 804 CD GLU A 51 -12.802 -4.310 -14.931 1.00 0.00 C ATOM 805 OE1 GLU A 51 -12.862 -5.401 -15.476 1.00 0.00 O ATOM 806 OE2 GLU A 51 -13.524 -3.347 -15.136 1.00 0.00 O ATOM 0 H GLU A 51 -9.624 -5.195 -12.635 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.353 -3.391 -11.212 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.993 -5.966 -12.752 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.143 -4.703 -12.361 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.552 -3.075 -13.654 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.748 -4.511 -14.255 1.00 0.00 H new ATOM 813 N GLU A 52 -11.065 -6.431 -10.052 1.00 0.00 N ATOM 814 CA GLU A 52 -11.391 -7.346 -8.910 1.00 0.00 C ATOM 815 C GLU A 52 -10.423 -7.101 -7.745 1.00 0.00 C ATOM 816 O GLU A 52 -10.802 -7.217 -6.596 1.00 0.00 O ATOM 817 CB GLU A 52 -11.283 -8.822 -9.386 1.00 0.00 C ATOM 818 CG GLU A 52 -10.101 -8.999 -10.362 1.00 0.00 C ATOM 819 CD GLU A 52 -9.803 -10.491 -10.576 1.00 0.00 C ATOM 820 OE1 GLU A 52 -9.153 -11.045 -9.702 1.00 0.00 O ATOM 821 OE2 GLU A 52 -10.239 -10.995 -11.600 1.00 0.00 O ATOM 0 H GLU A 52 -10.397 -6.813 -10.721 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.407 -7.147 -8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.151 -9.477 -8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.211 -9.120 -9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.335 -8.528 -11.317 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.217 -8.498 -9.968 1.00 0.00 H new ATOM 828 N ILE A 53 -9.203 -6.767 -8.087 1.00 0.00 N ATOM 829 CA ILE A 53 -8.180 -6.427 -7.049 1.00 0.00 C ATOM 830 C ILE A 53 -8.598 -5.148 -6.304 1.00 0.00 C ATOM 831 O ILE A 53 -9.240 -4.284 -6.871 1.00 0.00 O ATOM 832 CB ILE A 53 -6.808 -6.208 -7.739 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.388 -7.497 -8.506 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.739 -5.887 -6.660 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.228 -7.200 -9.486 1.00 0.00 C ATOM 0 H ILE A 53 -8.869 -6.715 -9.049 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.102 -7.244 -6.332 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.888 -5.380 -8.443 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.082 -8.265 -7.795 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.242 -7.893 -9.056 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.773 -5.732 -7.140 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.025 -4.984 -6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.667 -6.719 -5.960 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.952 -8.115 -10.010 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.546 -6.449 -10.209 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.368 -6.827 -8.930 1.00 0.00 H new ATOM 847 N GLY A 54 -8.212 -5.081 -5.053 1.00 0.00 N ATOM 848 CA GLY A 54 -8.537 -3.894 -4.211 1.00 0.00 C ATOM 849 C GLY A 54 -7.425 -2.861 -4.352 1.00 0.00 C ATOM 850 O GLY A 54 -7.340 -2.178 -5.351 1.00 0.00 O ATOM 0 H GLY A 54 -7.679 -5.809 -4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.490 -3.464 -4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.644 -4.191 -3.168 1.00 0.00 H new ATOM 854 N TRP A 55 -6.608 -2.795 -3.337 1.00 0.00 N ATOM 855 CA TRP A 55 -5.500 -1.794 -3.305 1.00 0.00 C ATOM 856 C TRP A 55 -4.233 -2.381 -3.937 1.00 0.00 C ATOM 857 O TRP A 55 -3.878 -3.521 -3.708 1.00 0.00 O ATOM 858 CB TRP A 55 -5.243 -1.400 -1.837 1.00 0.00 C ATOM 859 CG TRP A 55 -6.235 -0.294 -1.462 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.484 -0.503 -0.962 1.00 0.00 C ATOM 861 CD2 TRP A 55 -6.020 1.037 -1.579 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.944 0.725 -0.810 1.00 0.00 N ATOM 863 CE2 TRP A 55 -7.139 1.717 -1.152 1.00 0.00 C ATOM 864 CE3 TRP A 55 -4.921 1.747 -2.026 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -7.170 3.097 -1.170 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -4.953 3.126 -2.042 1.00 0.00 C ATOM 867 CH2 TRP A 55 -6.075 3.802 -1.617 1.00 0.00 C ATOM 0 H TRP A 55 -6.661 -3.399 -2.517 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.779 -0.910 -3.879 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.370 -2.263 -1.183 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.218 -1.052 -1.710 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.976 -1.440 -0.744 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.880 0.901 -0.445 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.039 1.223 -2.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -8.052 3.623 -0.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.093 3.679 -2.390 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.096 4.882 -1.634 1.00 0.00 H new ATOM 878 N LEU A 56 -3.598 -1.550 -4.723 1.00 0.00 N ATOM 879 CA LEU A 56 -2.371 -1.936 -5.484 1.00 0.00 C ATOM 880 C LEU A 56 -1.172 -1.268 -4.805 1.00 0.00 C ATOM 881 O LEU A 56 -1.220 -0.086 -4.527 1.00 0.00 O ATOM 882 CB LEU A 56 -2.482 -1.438 -6.949 1.00 0.00 C ATOM 883 CG LEU A 56 -3.531 -2.239 -7.777 1.00 0.00 C ATOM 884 CD1 LEU A 56 -3.617 -1.677 -9.233 1.00 0.00 C ATOM 885 CD2 LEU A 56 -3.116 -3.712 -7.854 1.00 0.00 C ATOM 0 H LEU A 56 -3.891 -0.585 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.254 -3.020 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.753 -0.382 -6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.507 -1.517 -7.431 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.500 -2.143 -7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.354 -2.246 -9.800 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.914 -0.629 -9.201 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.643 -1.763 -9.715 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.853 -4.268 -8.434 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.141 -3.791 -8.335 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.058 -4.127 -6.848 1.00 0.00 H new ATOM 897 N ASN A 57 -0.141 -2.037 -4.559 1.00 0.00 N ATOM 898 CA ASN A 57 1.126 -1.465 -3.995 1.00 0.00 C ATOM 899 C ASN A 57 2.188 -1.382 -5.102 1.00 0.00 C ATOM 900 O ASN A 57 2.584 -2.397 -5.643 1.00 0.00 O ATOM 901 CB ASN A 57 1.638 -2.374 -2.848 1.00 0.00 C ATOM 902 CG ASN A 57 1.495 -1.674 -1.490 1.00 0.00 C ATOM 903 OD1 ASN A 57 0.946 -2.223 -0.554 1.00 0.00 O ATOM 904 ND2 ASN A 57 1.978 -0.469 -1.341 1.00 0.00 N ATOM 0 H ASN A 57 -0.120 -3.043 -4.725 1.00 0.00 H new ATOM 0 HA ASN A 57 0.932 -0.466 -3.605 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.077 -3.308 -2.841 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.683 -2.631 -3.021 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.894 0.007 -0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.439 -0.004 -2.123 1.00 0.00 H new ATOM 911 N GLY A 58 2.617 -0.182 -5.409 1.00 0.00 N ATOM 912 CA GLY A 58 3.632 0.007 -6.494 1.00 0.00 C ATOM 913 C GLY A 58 4.394 1.331 -6.354 1.00 0.00 C ATOM 914 O GLY A 58 4.070 2.161 -5.525 1.00 0.00 O ATOM 0 H GLY A 58 2.308 0.677 -4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.340 -0.821 -6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.134 -0.022 -7.463 1.00 0.00 H new ATOM 918 N TYR A 59 5.394 1.472 -7.187 1.00 0.00 N ATOM 919 CA TYR A 59 6.223 2.716 -7.218 1.00 0.00 C ATOM 920 C TYR A 59 5.631 3.717 -8.222 1.00 0.00 C ATOM 921 O TYR A 59 5.036 3.329 -9.211 1.00 0.00 O ATOM 922 CB TYR A 59 7.669 2.335 -7.622 1.00 0.00 C ATOM 923 CG TYR A 59 8.509 1.937 -6.391 1.00 0.00 C ATOM 924 CD1 TYR A 59 7.993 1.131 -5.391 1.00 0.00 C ATOM 925 CD2 TYR A 59 9.810 2.387 -6.272 1.00 0.00 C ATOM 926 CE1 TYR A 59 8.760 0.784 -4.300 1.00 0.00 C ATOM 927 CE2 TYR A 59 10.578 2.039 -5.180 1.00 0.00 C ATOM 928 CZ TYR A 59 10.058 1.235 -4.186 1.00 0.00 C ATOM 929 OH TYR A 59 10.824 0.887 -3.092 1.00 0.00 O ATOM 0 H TYR A 59 5.677 0.761 -7.862 1.00 0.00 H new ATOM 0 HA TYR A 59 6.230 3.185 -6.234 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.645 1.508 -8.331 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.140 3.176 -8.130 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.978 0.770 -5.467 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.230 3.018 -7.042 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.341 0.154 -3.529 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.594 2.398 -5.102 1.00 0.00 H new ATOM 0 HH TYR A 59 11.713 1.290 -3.174 1.00 0.00 H new ATOM 939 N ASN A 60 5.824 4.977 -7.919 1.00 0.00 N ATOM 940 CA ASN A 60 5.396 6.089 -8.825 1.00 0.00 C ATOM 941 C ASN A 60 6.640 6.956 -9.112 1.00 0.00 C ATOM 942 O ASN A 60 6.687 8.130 -8.795 1.00 0.00 O ATOM 943 CB ASN A 60 4.284 6.885 -8.093 1.00 0.00 C ATOM 944 CG ASN A 60 3.494 7.789 -9.059 1.00 0.00 C ATOM 945 OD1 ASN A 60 4.012 8.338 -10.011 1.00 0.00 O ATOM 946 ND2 ASN A 60 2.220 7.969 -8.831 1.00 0.00 N ATOM 0 H ASN A 60 6.273 5.289 -7.058 1.00 0.00 H new ATOM 0 HA ASN A 60 4.996 5.735 -9.775 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.601 6.190 -7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.731 7.495 -7.308 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.671 8.566 -9.449 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.775 7.513 -8.035 1.00 0.00 H new ATOM 953 N GLU A 61 7.618 6.320 -9.713 1.00 0.00 N ATOM 954 CA GLU A 61 8.887 7.013 -10.120 1.00 0.00 C ATOM 955 C GLU A 61 8.614 8.268 -10.968 1.00 0.00 C ATOM 956 O GLU A 61 9.443 9.156 -11.038 1.00 0.00 O ATOM 957 CB GLU A 61 9.761 6.042 -10.939 1.00 0.00 C ATOM 958 CG GLU A 61 10.237 4.864 -10.063 1.00 0.00 C ATOM 959 CD GLU A 61 11.463 4.192 -10.716 1.00 0.00 C ATOM 960 OE1 GLU A 61 12.531 4.774 -10.604 1.00 0.00 O ATOM 961 OE2 GLU A 61 11.267 3.133 -11.293 1.00 0.00 O ATOM 0 H GLU A 61 7.591 5.327 -9.944 1.00 0.00 H new ATOM 0 HA GLU A 61 9.399 7.323 -9.209 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.194 5.663 -11.789 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.623 6.573 -11.342 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.494 5.221 -9.066 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.433 4.138 -9.944 1.00 0.00 H new ATOM 968 N THR A 62 7.455 8.295 -11.585 1.00 0.00 N ATOM 969 CA THR A 62 7.011 9.480 -12.386 1.00 0.00 C ATOM 970 C THR A 62 7.098 10.772 -11.557 1.00 0.00 C ATOM 971 O THR A 62 7.667 11.755 -11.989 1.00 0.00 O ATOM 972 CB THR A 62 5.538 9.272 -12.853 1.00 0.00 C ATOM 973 OG1 THR A 62 5.362 7.879 -13.097 1.00 0.00 O ATOM 974 CG2 THR A 62 5.299 9.936 -14.224 1.00 0.00 C ATOM 0 H THR A 62 6.784 7.527 -11.566 1.00 0.00 H new ATOM 0 HA THR A 62 7.670 9.574 -13.249 1.00 0.00 H new ATOM 0 HB THR A 62 4.873 9.684 -12.094 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.442 7.712 -13.392 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.265 9.778 -14.530 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.496 11.005 -14.150 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.967 9.495 -14.963 1.00 0.00 H new ATOM 982 N THR A 63 6.525 10.706 -10.384 1.00 0.00 N ATOM 983 CA THR A 63 6.589 11.838 -9.406 1.00 0.00 C ATOM 984 C THR A 63 7.752 11.662 -8.417 1.00 0.00 C ATOM 985 O THR A 63 7.918 12.462 -7.515 1.00 0.00 O ATOM 986 CB THR A 63 5.245 11.906 -8.640 1.00 0.00 C ATOM 987 OG1 THR A 63 4.866 10.569 -8.330 1.00 0.00 O ATOM 988 CG2 THR A 63 4.128 12.446 -9.553 1.00 0.00 C ATOM 0 H THR A 63 6.002 9.895 -10.053 1.00 0.00 H new ATOM 0 HA THR A 63 6.762 12.766 -9.951 1.00 0.00 H new ATOM 0 HB THR A 63 5.369 12.543 -7.764 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.016 10.575 -7.842 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.191 12.486 -8.997 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.390 13.447 -9.896 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.011 11.787 -10.413 1.00 0.00 H new ATOM 996 N GLY A 64 8.523 10.621 -8.618 1.00 0.00 N ATOM 997 CA GLY A 64 9.658 10.321 -7.688 1.00 0.00 C ATOM 998 C GLY A 64 9.144 9.935 -6.296 1.00 0.00 C ATOM 999 O GLY A 64 9.807 10.165 -5.302 1.00 0.00 O ATOM 0 H GLY A 64 8.415 9.963 -9.390 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.260 9.509 -8.095 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.308 11.192 -7.610 1.00 0.00 H new ATOM 1003 N GLU A 65 7.970 9.358 -6.284 1.00 0.00 N ATOM 1004 CA GLU A 65 7.327 8.890 -5.016 1.00 0.00 C ATOM 1005 C GLU A 65 6.999 7.395 -5.141 1.00 0.00 C ATOM 1006 O GLU A 65 7.167 6.813 -6.194 1.00 0.00 O ATOM 1007 CB GLU A 65 6.040 9.715 -4.785 1.00 0.00 C ATOM 1008 CG GLU A 65 6.400 11.188 -4.461 1.00 0.00 C ATOM 1009 CD GLU A 65 7.108 11.275 -3.094 1.00 0.00 C ATOM 1010 OE1 GLU A 65 6.416 11.072 -2.108 1.00 0.00 O ATOM 1011 OE2 GLU A 65 8.301 11.538 -3.114 1.00 0.00 O ATOM 0 H GLU A 65 7.415 9.187 -7.122 1.00 0.00 H new ATOM 0 HA GLU A 65 7.998 9.028 -4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.409 9.674 -5.673 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.465 9.284 -3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.047 11.592 -5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.496 11.797 -4.450 1.00 0.00 H new ATOM 1018 N ARG A 66 6.544 6.819 -4.057 1.00 0.00 N ATOM 1019 CA ARG A 66 6.049 5.404 -4.075 1.00 0.00 C ATOM 1020 C ARG A 66 4.963 5.241 -2.999 1.00 0.00 C ATOM 1021 O ARG A 66 5.028 5.888 -1.971 1.00 0.00 O ATOM 1022 CB ARG A 66 7.253 4.457 -3.804 1.00 0.00 C ATOM 1023 CG ARG A 66 7.818 4.686 -2.377 1.00 0.00 C ATOM 1024 CD ARG A 66 9.281 4.200 -2.282 1.00 0.00 C ATOM 1025 NE ARG A 66 10.158 5.141 -3.046 1.00 0.00 N ATOM 1026 CZ ARG A 66 11.368 4.789 -3.397 1.00 0.00 C ATOM 1027 NH1 ARG A 66 12.164 4.233 -2.525 1.00 0.00 N ATOM 1028 NH2 ARG A 66 11.751 5.015 -4.624 1.00 0.00 N ATOM 0 H ARG A 66 6.493 7.274 -3.146 1.00 0.00 H new ATOM 0 HA ARG A 66 5.614 5.154 -5.043 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.938 3.419 -3.914 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.035 4.633 -4.543 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.765 5.745 -2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.205 4.154 -1.649 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.596 4.155 -1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.370 3.191 -2.686 1.00 0.00 H new ATOM 0 HE ARG A 66 9.809 6.066 -3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.843 4.073 -1.570 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.108 3.958 -2.798 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.112 5.457 -5.285 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.690 4.750 -4.922 1.00 0.00 H new ATOM 1042 N GLY A 67 4.001 4.389 -3.256 1.00 0.00 N ATOM 1043 CA GLY A 67 3.020 4.024 -2.185 1.00 0.00 C ATOM 1044 C GLY A 67 1.890 3.117 -2.688 1.00 0.00 C ATOM 1045 O GLY A 67 2.043 2.398 -3.657 1.00 0.00 O ATOM 0 H GLY A 67 3.852 3.932 -4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.547 3.522 -1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.589 4.935 -1.770 1.00 0.00 H new ATOM 1049 N ASP A 68 0.780 3.189 -1.993 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.441 2.407 -2.371 1.00 0.00 C ATOM 1051 C ASP A 68 -1.369 3.290 -3.220 1.00 0.00 C ATOM 1052 O ASP A 68 -1.329 4.503 -3.128 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.170 1.966 -1.083 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.985 0.462 -0.831 1.00 0.00 C ATOM 1055 OD1 ASP A 68 -1.454 -0.302 -1.663 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -0.382 0.160 0.185 1.00 0.00 O ATOM 0 H ASP A 68 0.667 3.769 -1.162 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.158 1.528 -2.950 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.787 2.530 -0.233 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.232 2.196 -1.165 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.176 2.640 -4.020 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.166 3.357 -4.886 1.00 0.00 C ATOM 1063 C PHE A 69 -4.321 2.402 -5.264 1.00 0.00 C ATOM 1064 O PHE A 69 -4.062 1.238 -5.494 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.448 3.860 -6.161 1.00 0.00 C ATOM 1066 CG PHE A 69 -1.818 2.707 -6.967 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -0.693 2.035 -6.518 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.385 2.331 -8.169 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.150 1.004 -7.261 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -1.844 1.303 -8.909 1.00 0.00 C ATOM 1071 CZ PHE A 69 -0.724 0.636 -8.459 1.00 0.00 C ATOM 0 H PHE A 69 -2.192 1.624 -4.112 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.582 4.207 -4.345 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.160 4.394 -6.790 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.672 4.573 -5.882 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.237 2.319 -5.581 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.261 2.848 -8.532 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.727 0.485 -6.902 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.299 1.018 -9.846 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.300 -0.169 -9.041 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.545 2.889 -5.324 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.732 2.027 -5.588 1.00 0.00 C ATOM 1083 C PRO A 70 -6.593 1.247 -6.908 1.00 0.00 C ATOM 1084 O PRO A 70 -5.936 1.697 -7.827 1.00 0.00 O ATOM 1085 CB PRO A 70 -7.946 2.969 -5.607 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.423 4.403 -5.317 1.00 0.00 C ATOM 1087 CD PRO A 70 -5.893 4.327 -5.142 1.00 0.00 C ATOM 0 HA PRO A 70 -6.840 1.264 -4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.447 2.931 -6.574 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.678 2.668 -4.857 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.680 5.075 -6.136 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.890 4.804 -4.417 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.382 4.951 -5.876 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.592 4.682 -4.156 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.219 0.097 -6.948 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.223 -0.738 -8.192 1.00 0.00 C ATOM 1097 C GLY A 71 -8.382 -0.377 -9.138 1.00 0.00 C ATOM 1098 O GLY A 71 -8.462 -0.917 -10.224 1.00 0.00 O ATOM 0 H GLY A 71 -7.733 -0.304 -6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.276 -0.608 -8.716 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.295 -1.791 -7.919 1.00 0.00 H new ATOM 1102 N THR A 72 -9.240 0.519 -8.708 1.00 0.00 N ATOM 1103 CA THR A 72 -10.422 0.927 -9.541 1.00 0.00 C ATOM 1104 C THR A 72 -10.204 2.313 -10.185 1.00 0.00 C ATOM 1105 O THR A 72 -11.070 2.811 -10.876 1.00 0.00 O ATOM 1106 CB THR A 72 -11.681 0.918 -8.613 1.00 0.00 C ATOM 1107 OG1 THR A 72 -12.800 1.131 -9.467 1.00 0.00 O ATOM 1108 CG2 THR A 72 -11.712 2.096 -7.606 1.00 0.00 C ATOM 0 H THR A 72 -9.172 0.991 -7.806 1.00 0.00 H new ATOM 0 HA THR A 72 -10.561 0.227 -10.365 1.00 0.00 H new ATOM 0 HB THR A 72 -11.680 -0.019 -8.056 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.543 1.727 -10.201 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.612 2.028 -6.994 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.832 2.049 -6.964 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.714 3.040 -8.151 1.00 0.00 H new ATOM 1116 N TYR A 73 -9.050 2.886 -9.937 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.736 4.263 -10.446 1.00 0.00 C ATOM 1118 C TYR A 73 -7.743 4.231 -11.610 1.00 0.00 C ATOM 1119 O TYR A 73 -7.523 5.248 -12.240 1.00 0.00 O ATOM 1120 CB TYR A 73 -8.144 5.100 -9.293 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.204 6.091 -8.799 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -10.099 5.718 -7.817 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -9.279 7.364 -9.331 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -11.055 6.602 -7.371 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -10.236 8.249 -8.885 1.00 0.00 C ATOM 1126 CZ TYR A 73 -11.130 7.874 -7.902 1.00 0.00 C ATOM 1127 OH TYR A 73 -12.089 8.759 -7.452 1.00 0.00 O ATOM 0 H TYR A 73 -8.301 2.453 -9.396 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.661 4.708 -10.812 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.829 4.448 -8.478 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.258 5.636 -9.633 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.049 4.725 -7.395 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.584 7.667 -10.100 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.750 6.299 -6.602 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.287 9.242 -9.307 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.000 9.609 -7.931 1.00 0.00 H new ATOM 1137 N VAL A 74 -7.179 3.078 -11.858 1.00 0.00 N ATOM 1138 CA VAL A 74 -6.110 2.940 -12.896 1.00 0.00 C ATOM 1139 C VAL A 74 -6.586 1.956 -13.976 1.00 0.00 C ATOM 1140 O VAL A 74 -7.729 1.540 -13.979 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.805 2.438 -12.196 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -4.433 3.409 -11.034 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -4.964 0.978 -11.656 1.00 0.00 C ATOM 0 H VAL A 74 -7.417 2.210 -11.378 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.902 3.895 -13.378 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.003 2.426 -12.934 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.523 3.060 -10.545 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.269 4.409 -11.434 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.246 3.437 -10.309 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.037 0.664 -11.176 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.777 0.945 -10.931 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.189 0.306 -12.484 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.686 1.618 -14.862 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.970 0.561 -15.875 1.00 0.00 C ATOM 1155 C GLU A 75 -4.652 -0.127 -16.231 1.00 0.00 C ATOM 1156 O GLU A 75 -3.705 0.521 -16.627 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.605 1.230 -17.125 1.00 0.00 C ATOM 1158 CG GLU A 75 -7.634 0.284 -17.782 1.00 0.00 C ATOM 1159 CD GLU A 75 -8.859 0.108 -16.863 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -9.644 1.043 -16.815 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -8.944 -0.948 -16.255 1.00 0.00 O ATOM 0 H GLU A 75 -4.757 2.034 -14.927 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.665 -0.184 -15.488 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.091 2.162 -16.838 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.826 1.485 -17.844 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.948 0.688 -18.745 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.175 -0.685 -17.978 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.638 -1.429 -16.073 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.523 -2.264 -16.620 1.00 0.00 C ATOM 1170 C TYR A 76 -3.279 -1.910 -18.092 1.00 0.00 C ATOM 1171 O TYR A 76 -4.210 -1.845 -18.871 1.00 0.00 O ATOM 1172 CB TYR A 76 -3.919 -3.748 -16.466 1.00 0.00 C ATOM 1173 CG TYR A 76 -2.896 -4.666 -17.161 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -3.003 -4.930 -18.514 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -1.861 -5.238 -16.449 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -2.095 -5.751 -19.143 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -0.952 -6.060 -17.079 1.00 0.00 C ATOM 1178 CZ TYR A 76 -1.064 -6.321 -18.430 1.00 0.00 C ATOM 1179 OH TYR A 76 -0.157 -7.142 -19.066 1.00 0.00 O ATOM 0 H TYR A 76 -5.361 -1.955 -15.582 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.597 -2.074 -16.077 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.983 -4.003 -15.408 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.908 -3.911 -16.893 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.807 -4.487 -19.083 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.763 -5.040 -15.392 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.191 -5.949 -20.200 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.147 -6.503 -16.512 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.064 -6.864 -20.001 1.00 0.00 H new ATOM 1189 N ILE A 77 -2.029 -1.694 -18.415 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.638 -1.433 -19.835 1.00 0.00 C ATOM 1191 C ILE A 77 -0.883 -2.641 -20.383 1.00 0.00 C ATOM 1192 O ILE A 77 -1.254 -3.170 -21.415 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.728 -0.159 -19.915 1.00 0.00 C ATOM 1194 CG1 ILE A 77 0.113 0.053 -18.620 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.606 1.094 -20.154 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.257 1.051 -18.898 1.00 0.00 C ATOM 0 H ILE A 77 -1.255 -1.687 -17.750 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.536 -1.264 -20.430 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.036 -0.310 -20.743 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.524 0.429 -17.819 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.522 -0.899 -18.281 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.971 1.978 -20.209 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.154 0.982 -21.090 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.312 1.206 -19.331 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.842 1.196 -17.990 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.900 0.657 -19.685 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.838 2.006 -19.216 1.00 0.00 H new ATOM 1208 N GLY A 78 0.148 -3.044 -19.684 1.00 0.00 N ATOM 1209 CA GLY A 78 1.064 -4.074 -20.243 1.00 0.00 C ATOM 1210 C GLY A 78 1.925 -4.630 -19.123 1.00 0.00 C ATOM 1211 O GLY A 78 1.921 -4.122 -18.018 1.00 0.00 O ATOM 0 H GLY A 78 0.391 -2.703 -18.754 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.490 -4.875 -20.710 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.692 -3.638 -21.020 1.00 0.00 H new ATOM 1215 N ARG A 79 2.643 -5.669 -19.456 1.00 0.00 N ATOM 1216 CA ARG A 79 3.573 -6.285 -18.472 1.00 0.00 C ATOM 1217 C ARG A 79 4.674 -7.032 -19.216 1.00 0.00 C ATOM 1218 O ARG A 79 4.537 -7.345 -20.384 1.00 0.00 O ATOM 1219 CB ARG A 79 2.730 -7.232 -17.548 1.00 0.00 C ATOM 1220 CG ARG A 79 2.735 -8.736 -17.945 1.00 0.00 C ATOM 1221 CD ARG A 79 2.269 -8.967 -19.403 1.00 0.00 C ATOM 1222 NE ARG A 79 0.996 -9.750 -19.396 1.00 0.00 N ATOM 1223 CZ ARG A 79 0.286 -9.858 -20.488 1.00 0.00 C ATOM 1224 NH1 ARG A 79 0.875 -10.149 -21.617 1.00 0.00 N ATOM 1225 NH2 ARG A 79 -1.002 -9.674 -20.411 1.00 0.00 N ATOM 0 H ARG A 79 2.624 -6.118 -20.372 1.00 0.00 H new ATOM 0 HA ARG A 79 4.060 -5.533 -17.852 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.104 -7.143 -16.528 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.699 -6.880 -17.541 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.741 -9.138 -17.821 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.085 -9.289 -17.267 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.119 -8.011 -19.905 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.036 -9.503 -19.962 1.00 0.00 H new ATOM 0 HE ARG A 79 0.681 -10.201 -18.537 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.885 -10.291 -21.644 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.325 -10.234 -22.472 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.433 -9.452 -19.514 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.579 -9.752 -21.248 1.00 0.00 H new ATOM 1239 N LYS A 80 5.740 -7.288 -18.508 1.00 0.00 N ATOM 1240 CA LYS A 80 6.732 -8.302 -18.985 1.00 0.00 C ATOM 1241 C LYS A 80 6.630 -9.611 -18.204 1.00 0.00 C ATOM 1242 O LYS A 80 6.616 -9.640 -16.988 1.00 0.00 O ATOM 1243 CB LYS A 80 8.142 -7.704 -18.847 1.00 0.00 C ATOM 1244 CG LYS A 80 8.135 -6.377 -19.633 1.00 0.00 C ATOM 1245 CD LYS A 80 9.548 -5.911 -20.040 1.00 0.00 C ATOM 1246 CE LYS A 80 10.471 -5.789 -18.816 1.00 0.00 C ATOM 1247 NZ LYS A 80 11.236 -7.057 -18.637 1.00 0.00 N ATOM 0 H LYS A 80 5.970 -6.841 -17.620 1.00 0.00 H new ATOM 0 HA LYS A 80 6.520 -8.540 -20.027 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.390 -7.533 -17.799 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.893 -8.386 -19.245 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.525 -6.495 -20.529 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.664 -5.604 -19.026 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.975 -6.618 -20.751 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.484 -4.948 -20.547 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.158 -4.953 -18.948 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.882 -5.579 -17.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.760 -7.653 -17.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.283 -7.565 -19.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.199 -6.838 -18.312 1.00 0.00 H new ATOM 1261 N LYS A 81 6.559 -10.658 -18.982 1.00 0.00 N ATOM 1262 CA LYS A 81 6.543 -12.048 -18.445 1.00 0.00 C ATOM 1263 C LYS A 81 7.978 -12.453 -18.073 1.00 0.00 C ATOM 1264 O LYS A 81 8.721 -12.983 -18.877 1.00 0.00 O ATOM 1265 CB LYS A 81 5.956 -12.987 -19.536 1.00 0.00 C ATOM 1266 CG LYS A 81 5.553 -14.306 -18.859 1.00 0.00 C ATOM 1267 CD LYS A 81 5.273 -15.409 -19.904 1.00 0.00 C ATOM 1268 CE LYS A 81 4.848 -16.696 -19.168 1.00 0.00 C ATOM 1269 NZ LYS A 81 3.450 -16.564 -18.664 1.00 0.00 N ATOM 0 H LYS A 81 6.510 -10.604 -19.999 1.00 0.00 H new ATOM 0 HA LYS A 81 5.925 -12.119 -17.550 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.092 -12.524 -20.013 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.693 -13.170 -20.318 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.348 -14.631 -18.188 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.665 -14.147 -18.247 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.488 -15.089 -20.589 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.164 -15.594 -20.505 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.920 -17.550 -19.842 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.526 -16.888 -18.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.116 -17.488 -18.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.426 -15.877 -17.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.833 -16.236 -19.434 1.00 0.00 H new ATOM 1283 N ILE A 82 8.311 -12.171 -16.838 1.00 0.00 N ATOM 1284 CA ILE A 82 9.646 -12.545 -16.283 1.00 0.00 C ATOM 1285 C ILE A 82 9.483 -12.896 -14.796 1.00 0.00 C ATOM 1286 O ILE A 82 9.988 -12.230 -13.913 1.00 0.00 O ATOM 1287 CB ILE A 82 10.598 -11.325 -16.525 1.00 0.00 C ATOM 1288 CG1 ILE A 82 12.027 -11.630 -15.962 1.00 0.00 C ATOM 1289 CG2 ILE A 82 10.018 -10.018 -15.902 1.00 0.00 C ATOM 1290 CD1 ILE A 82 13.123 -11.104 -16.917 1.00 0.00 C ATOM 0 H ILE A 82 7.701 -11.688 -16.179 1.00 0.00 H new ATOM 0 HA ILE A 82 10.076 -13.422 -16.767 1.00 0.00 H new ATOM 0 HB ILE A 82 10.677 -11.165 -17.600 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.142 -11.168 -14.982 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.145 -12.705 -15.824 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.703 -9.191 -16.088 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.051 -9.797 -16.355 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.894 -10.151 -14.827 1.00 0.00 H new ATOM 0 HD11 ILE A 82 14.106 -11.329 -16.502 1.00 0.00 H new ATOM 0 HD12 ILE A 82 13.021 -11.586 -17.889 1.00 0.00 H new ATOM 0 HD13 ILE A 82 13.017 -10.026 -17.034 1.00 0.00 H new ATOM 1302 N SER A 83 8.756 -13.966 -14.588 1.00 0.00 N ATOM 1303 CA SER A 83 8.462 -14.451 -13.205 1.00 0.00 C ATOM 1304 C SER A 83 8.471 -16.003 -13.178 1.00 0.00 C ATOM 1305 O SER A 83 7.440 -16.618 -12.988 1.00 0.00 O ATOM 1306 CB SER A 83 7.071 -13.904 -12.767 1.00 0.00 C ATOM 1307 OG SER A 83 6.982 -12.590 -13.302 1.00 0.00 O ATOM 0 H SER A 83 8.347 -14.533 -15.331 1.00 0.00 H new ATOM 0 HA SER A 83 9.224 -14.093 -12.513 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.267 -14.535 -13.145 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.981 -13.890 -11.681 1.00 0.00 H new ATOM 0 HG SER A 83 6.791 -11.955 -12.580 1.00 0.00 H new ATOM 1313 N PRO A 84 9.630 -16.604 -13.369 1.00 0.00 N ATOM 1314 CA PRO A 84 9.766 -18.085 -13.289 1.00 0.00 C ATOM 1315 C PRO A 84 9.451 -18.613 -11.877 1.00 0.00 C ATOM 1316 O PRO A 84 8.772 -19.626 -11.819 1.00 0.00 O ATOM 1317 CB PRO A 84 11.211 -18.393 -13.708 1.00 0.00 C ATOM 1318 CG PRO A 84 11.926 -17.030 -13.944 1.00 0.00 C ATOM 1319 CD PRO A 84 10.907 -15.907 -13.680 1.00 0.00 C ATOM 1320 OXT PRO A 84 9.898 -17.971 -10.941 1.00 0.00 O ATOM 0 HA PRO A 84 9.051 -18.585 -13.943 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.722 -18.966 -12.934 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.227 -18.998 -14.615 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.784 -16.930 -13.280 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.304 -16.970 -14.965 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.223 -15.276 -12.850 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.800 -15.259 -14.550 1.00 0.00 H new TER 1328 PRO A 84