USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 86 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 1 LEU N :NH3+ -105:sc= 0.00148 (180deg=-2.12!) USER MOD Set 1.2: A 6 GLN : amide:sc= -0.0116 X(o=-0.01,f=-0.1) USER MOD Single : A 2 GLN : amide:sc= -2.24! C(o=-2.2!,f=-2.9!) USER MOD Single : A 4 MET CE :methyl 165:sc= -2.26! (180deg=-2.73) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -151:sc= -0.0944 (180deg=-0.508) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -1.68 F(o=-2.5,f=-1.7) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.193 F(o=-1.4!,f=-0.19) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= -0.804 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 23.593 0.811 -2.835 1.00 0.00 N ATOM 2 CA LEU A 1 23.534 2.125 -3.524 1.00 0.00 C ATOM 3 C LEU A 1 22.117 2.629 -3.879 1.00 0.00 C ATOM 4 O LEU A 1 21.152 1.872 -3.857 1.00 0.00 O ATOM 5 CB LEU A 1 24.414 2.088 -4.793 1.00 0.00 C ATOM 6 CG LEU A 1 25.823 2.676 -4.632 1.00 0.00 C ATOM 7 CD1 LEU A 1 25.795 4.135 -4.164 1.00 0.00 C ATOM 8 CD2 LEU A 1 26.732 1.812 -3.757 1.00 0.00 C ATOM 0 H1 LEU A 1 23.805 0.957 -1.827 1.00 0.00 H new ATOM 0 H2 LEU A 1 22.677 0.328 -2.930 1.00 0.00 H new ATOM 0 H3 LEU A 1 24.338 0.227 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 1 23.914 2.845 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 1 24.506 1.053 -5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 1 23.901 2.630 -5.587 1.00 0.00 H new ATOM 0 HG LEU A 1 26.264 2.671 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 1 26.815 4.505 -4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 1 25.258 4.741 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 1 25.291 4.198 -3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 1 27.714 2.279 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 1 26.296 1.717 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 1 26.834 0.823 -4.204 1.00 0.00 H new ATOM 12 N GLN A 2 22.034 3.863 -4.388 1.00 0.00 N ATOM 13 CA GLN A 2 20.759 4.509 -4.786 1.00 0.00 C ATOM 14 C GLN A 2 20.247 3.907 -6.120 1.00 0.00 C ATOM 15 O GLN A 2 20.663 4.293 -7.199 1.00 0.00 O ATOM 16 CB GLN A 2 20.987 6.022 -4.892 1.00 0.00 C ATOM 17 CG GLN A 2 19.764 6.847 -5.306 1.00 0.00 C ATOM 18 CD GLN A 2 18.960 7.465 -4.158 1.00 0.00 C ATOM 19 OE1 GLN A 2 19.355 7.544 -3.002 1.00 0.00 O ATOM 20 NE2 GLN A 2 17.750 7.913 -4.456 1.00 0.00 N ATOM 0 H GLN A 2 22.851 4.454 -4.540 1.00 0.00 H new ATOM 0 HA GLN A 2 19.990 4.324 -4.036 1.00 0.00 H new ATOM 0 HB2 GLN A 2 21.340 6.387 -3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 2 21.785 6.202 -5.612 1.00 0.00 H new ATOM 0 HG2 GLN A 2 20.096 7.649 -5.965 1.00 0.00 H new ATOM 0 HG3 GLN A 2 19.099 6.210 -5.889 1.00 0.00 H new ATOM 0 HE21 GLN A 2 17.406 7.854 -5.415 1.00 0.00 H new ATOM 0 HE22 GLN A 2 17.162 8.317 -3.727 1.00 0.00 H new ATOM 24 N ARG A 3 19.451 2.860 -5.973 1.00 0.00 N ATOM 25 CA ARG A 3 18.835 2.149 -7.123 1.00 0.00 C ATOM 26 C ARG A 3 17.439 1.610 -6.758 1.00 0.00 C ATOM 27 O ARG A 3 17.189 1.370 -5.592 1.00 0.00 O ATOM 28 CB ARG A 3 19.747 1.011 -7.607 1.00 0.00 C ATOM 29 CG ARG A 3 20.005 -0.032 -6.519 1.00 0.00 C ATOM 30 CD ARG A 3 21.496 -0.322 -6.383 1.00 0.00 C ATOM 31 NE ARG A 3 21.699 -0.861 -5.027 1.00 0.00 N ATOM 32 CZ ARG A 3 22.634 -1.726 -4.645 1.00 0.00 C ATOM 33 NH1 ARG A 3 23.662 -2.045 -5.423 1.00 0.00 N ATOM 34 NH2 ARG A 3 22.437 -2.446 -3.556 1.00 0.00 N ATOM 0 H ARG A 3 19.204 2.467 -5.065 1.00 0.00 H new ATOM 0 HA ARG A 3 18.716 2.864 -7.937 1.00 0.00 H new ATOM 0 HB2 ARG A 3 19.291 0.526 -8.470 1.00 0.00 H new ATOM 0 HB3 ARG A 3 20.698 1.428 -7.940 1.00 0.00 H new ATOM 0 HG2 ARG A 3 19.612 0.325 -5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 3 19.472 -0.952 -6.759 1.00 0.00 H new ATOM 0 HD2 ARG A 3 21.822 -1.038 -7.137 1.00 0.00 H new ATOM 0 HD3 ARG A 3 22.082 0.585 -6.531 1.00 0.00 H new ATOM 0 HE ARG A 3 21.055 -0.537 -4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 3 23.753 -1.622 -6.347 1.00 0.00 H new ATOM 0 HH12 ARG A 3 24.361 -2.713 -5.097 1.00 0.00 H new ATOM 0 HH21 ARG A 3 21.576 -2.335 -3.020 1.00 0.00 H new ATOM 0 HH22 ARG A 3 23.145 -3.113 -3.251 1.00 0.00 H new ATOM 41 N MET A 4 16.663 1.257 -7.768 1.00 0.00 N ATOM 42 CA MET A 4 15.315 0.656 -7.554 1.00 0.00 C ATOM 43 C MET A 4 15.333 -0.601 -6.653 1.00 0.00 C ATOM 44 O MET A 4 14.507 -0.681 -5.769 1.00 0.00 O ATOM 45 CB MET A 4 14.589 0.409 -8.875 1.00 0.00 C ATOM 46 CG MET A 4 14.431 1.699 -9.714 1.00 0.00 C ATOM 47 SD MET A 4 13.717 3.140 -8.834 1.00 0.00 S ATOM 48 CE MET A 4 15.178 4.126 -8.576 1.00 0.00 C ATOM 0 H MET A 4 16.922 1.367 -8.748 1.00 0.00 H new ATOM 0 HA MET A 4 14.742 1.400 -7.000 1.00 0.00 H new ATOM 0 HB2 MET A 4 15.138 -0.333 -9.455 1.00 0.00 H new ATOM 0 HB3 MET A 4 13.604 -0.011 -8.672 1.00 0.00 H new ATOM 0 HG2 MET A 4 15.411 1.981 -10.100 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.802 1.475 -10.575 1.00 0.00 H new ATOM 0 HE1 MET A 4 14.889 5.140 -8.298 1.00 0.00 H new ATOM 0 HE2 MET A 4 15.776 3.688 -7.777 1.00 0.00 H new ATOM 0 HE3 MET A 4 15.764 4.155 -9.494 1.00 0.00 H new ATOM 50 N LYS A 5 16.454 -1.308 -6.652 1.00 0.00 N ATOM 51 CA LYS A 5 16.666 -2.491 -5.771 1.00 0.00 C ATOM 52 C LYS A 5 16.873 -2.126 -4.276 1.00 0.00 C ATOM 53 O LYS A 5 16.475 -2.868 -3.387 1.00 0.00 O ATOM 54 CB LYS A 5 17.868 -3.279 -6.291 1.00 0.00 C ATOM 55 CG LYS A 5 17.637 -4.788 -6.175 1.00 0.00 C ATOM 56 CD LYS A 5 17.361 -5.452 -7.533 1.00 0.00 C ATOM 57 CE LYS A 5 18.616 -5.491 -8.409 1.00 0.00 C ATOM 58 NZ LYS A 5 18.350 -6.241 -9.643 1.00 0.00 N ATOM 0 H LYS A 5 17.251 -1.094 -7.252 1.00 0.00 H new ATOM 0 HA LYS A 5 15.757 -3.091 -5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.054 -3.017 -7.332 1.00 0.00 H new ATOM 0 HB3 LYS A 5 18.759 -3.001 -5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.512 -5.251 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.795 -4.972 -5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.996 -6.467 -7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.572 -4.907 -8.051 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.930 -4.476 -8.652 1.00 0.00 H new ATOM 0 HE3 LYS A 5 19.436 -5.956 -7.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 19.209 -6.261 -10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.071 -7.214 -9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.581 -5.780 -10.170 1.00 0.00 H new ATOM 63 N GLN A 6 17.472 -0.960 -4.042 1.00 0.00 N ATOM 64 CA GLN A 6 17.705 -0.425 -2.679 1.00 0.00 C ATOM 65 C GLN A 6 16.634 0.585 -2.219 1.00 0.00 C ATOM 66 O GLN A 6 16.166 0.507 -1.097 1.00 0.00 O ATOM 67 CB GLN A 6 19.115 0.172 -2.567 1.00 0.00 C ATOM 68 CG GLN A 6 19.338 1.031 -1.316 1.00 0.00 C ATOM 69 CD GLN A 6 20.743 0.891 -0.751 1.00 0.00 C ATOM 70 OE1 GLN A 6 21.546 1.810 -0.699 1.00 0.00 O ATOM 71 NE2 GLN A 6 21.029 -0.295 -0.247 1.00 0.00 N ATOM 0 H GLN A 6 17.814 -0.350 -4.785 1.00 0.00 H new ATOM 0 HA GLN A 6 17.622 -1.273 -1.999 1.00 0.00 H new ATOM 0 HB2 GLN A 6 19.842 -0.640 -2.571 1.00 0.00 H new ATOM 0 HB3 GLN A 6 19.311 0.779 -3.451 1.00 0.00 H new ATOM 0 HG2 GLN A 6 19.152 2.077 -1.560 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.614 0.748 -0.552 1.00 0.00 H new ATOM 0 HE21 GLN A 6 20.345 -1.050 -0.300 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.934 -0.456 0.196 1.00 0.00 H new ATOM 75 N LEU A 7 16.294 1.524 -3.086 1.00 0.00 N ATOM 76 CA LEU A 7 15.221 2.509 -2.798 1.00 0.00 C ATOM 77 C LEU A 7 13.900 1.792 -2.477 1.00 0.00 C ATOM 78 O LEU A 7 13.293 2.127 -1.473 1.00 0.00 O ATOM 79 CB LEU A 7 15.032 3.509 -3.950 1.00 0.00 C ATOM 80 CG LEU A 7 16.339 4.244 -4.306 1.00 0.00 C ATOM 81 CD1 LEU A 7 16.033 5.301 -5.368 1.00 0.00 C ATOM 82 CD2 LEU A 7 17.031 4.888 -3.105 1.00 0.00 C ATOM 0 H LEU A 7 16.735 1.639 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 7 15.531 3.080 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 7 14.663 2.981 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.271 4.239 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 7 17.038 3.498 -4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 7 16.950 5.830 -5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.627 4.817 -6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 7 15.304 6.011 -4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 7 17.943 5.386 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 7 16.363 5.619 -2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 7 17.281 4.119 -2.374 1.00 0.00 H new ATOM 84 N GLU A 8 13.680 0.657 -3.140 1.00 0.00 N ATOM 85 CA GLU A 8 12.583 -0.262 -2.789 1.00 0.00 C ATOM 86 C GLU A 8 12.627 -0.753 -1.338 1.00 0.00 C ATOM 87 O GLU A 8 11.565 -0.798 -0.747 1.00 0.00 O ATOM 88 CB GLU A 8 12.476 -1.484 -3.701 1.00 0.00 C ATOM 89 CG GLU A 8 11.633 -1.207 -4.949 1.00 0.00 C ATOM 90 CD GLU A 8 10.143 -1.017 -4.638 1.00 0.00 C ATOM 91 OE1 GLU A 8 9.402 -1.949 -4.361 1.00 0.00 O ATOM 92 OE2 GLU A 8 9.677 0.248 -4.680 1.00 0.00 O ATOM 0 H GLU A 8 14.247 0.345 -3.928 1.00 0.00 H new ATOM 0 HA GLU A 8 11.700 0.361 -2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.475 -1.798 -4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.036 -2.312 -3.145 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.011 -0.313 -5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.749 -2.034 -5.650 1.00 0.00 H new ATOM 95 N ASP A 9 13.798 -0.920 -0.728 1.00 0.00 N ATOM 96 CA ASP A 9 13.921 -1.301 0.703 1.00 0.00 C ATOM 97 C ASP A 9 13.258 -0.242 1.619 1.00 0.00 C ATOM 98 O ASP A 9 12.541 -0.574 2.560 1.00 0.00 O ATOM 99 CB ASP A 9 15.378 -1.471 1.136 1.00 0.00 C ATOM 100 CG ASP A 9 16.235 -2.361 0.212 1.00 0.00 C ATOM 101 OD1 ASP A 9 17.442 -2.171 0.079 1.00 0.00 O ATOM 102 OD2 ASP A 9 15.608 -3.330 -0.476 1.00 0.00 O ATOM 0 H ASP A 9 14.695 -0.799 -1.198 1.00 0.00 H new ATOM 0 HA ASP A 9 13.410 -2.259 0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.840 -0.486 1.197 1.00 0.00 H new ATOM 0 HB3 ASP A 9 15.395 -1.894 2.141 1.00 0.00 H new ATOM 105 N LYS A 10 13.386 1.024 1.217 1.00 0.00 N ATOM 106 CA LYS A 10 12.840 2.198 1.938 1.00 0.00 C ATOM 107 C LYS A 10 11.357 2.405 1.560 1.00 0.00 C ATOM 108 O LYS A 10 10.487 2.313 2.415 1.00 0.00 O ATOM 109 CB LYS A 10 13.633 3.470 1.637 1.00 0.00 C ATOM 110 CG LYS A 10 15.136 3.188 1.578 1.00 0.00 C ATOM 111 CD LYS A 10 16.033 4.385 1.897 1.00 0.00 C ATOM 112 CE LYS A 10 17.513 4.013 1.739 1.00 0.00 C ATOM 113 NZ LYS A 10 17.838 2.743 2.418 1.00 0.00 N ATOM 0 H LYS A 10 13.882 1.278 0.363 1.00 0.00 H new ATOM 0 HA LYS A 10 12.924 1.998 3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.302 3.891 0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 10 13.431 4.217 2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.367 2.384 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 10 15.383 2.824 0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.789 5.215 1.234 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.845 4.725 2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 10 17.755 3.930 0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 10 18.133 4.811 2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 18.833 2.756 2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.224 2.627 3.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.687 1.950 1.762 1.00 0.00 H new ATOM 118 N VAL A 11 11.093 2.405 0.251 1.00 0.00 N ATOM 119 CA VAL A 11 9.725 2.503 -0.330 1.00 0.00 C ATOM 120 C VAL A 11 8.847 1.286 0.060 1.00 0.00 C ATOM 121 O VAL A 11 7.628 1.340 -0.018 1.00 0.00 O ATOM 122 CB VAL A 11 9.806 2.673 -1.869 1.00 0.00 C ATOM 123 CG1 VAL A 11 8.449 3.019 -2.486 1.00 0.00 C ATOM 124 CG2 VAL A 11 10.790 3.760 -2.317 1.00 0.00 C ATOM 0 H VAL A 11 11.825 2.337 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 11 9.243 3.386 0.088 1.00 0.00 H new ATOM 0 HB VAL A 11 10.156 1.702 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.557 3.128 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.738 2.221 -2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.084 3.954 -2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.793 3.822 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.486 4.720 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.791 3.512 -1.965 1.00 0.00 H new ATOM 126 N GLU A 12 9.476 0.226 0.547 1.00 0.00 N ATOM 127 CA GLU A 12 8.821 -1.002 1.045 1.00 0.00 C ATOM 128 C GLU A 12 7.923 -0.693 2.259 1.00 0.00 C ATOM 129 O GLU A 12 6.777 -1.109 2.243 1.00 0.00 O ATOM 130 CB GLU A 12 9.863 -2.057 1.430 1.00 0.00 C ATOM 131 CG GLU A 12 9.247 -3.452 1.575 1.00 0.00 C ATOM 132 CD GLU A 12 9.459 -4.000 2.984 1.00 0.00 C ATOM 133 OE1 GLU A 12 8.898 -3.522 3.965 1.00 0.00 O ATOM 134 OE2 GLU A 12 10.293 -5.054 3.099 1.00 0.00 O ATOM 0 H GLU A 12 10.493 0.184 0.614 1.00 0.00 H new ATOM 0 HA GLU A 12 8.201 -1.395 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.647 -2.085 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.337 -1.771 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.180 -3.407 1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.694 -4.128 0.847 1.00 0.00 H new ATOM 137 N GLU A 13 8.403 0.191 3.132 1.00 0.00 N ATOM 138 CA GLU A 13 7.618 0.716 4.272 1.00 0.00 C ATOM 139 C GLU A 13 6.297 1.382 3.796 1.00 0.00 C ATOM 140 O GLU A 13 5.381 1.548 4.584 1.00 0.00 O ATOM 141 CB GLU A 13 8.445 1.708 5.115 1.00 0.00 C ATOM 142 CG GLU A 13 8.509 3.124 4.534 1.00 0.00 C ATOM 143 CD GLU A 13 9.530 4.048 5.174 1.00 0.00 C ATOM 144 OE1 GLU A 13 10.293 4.740 4.505 1.00 0.00 O ATOM 145 OE2 GLU A 13 9.533 4.130 6.524 1.00 0.00 O ATOM 0 H GLU A 13 9.348 0.571 3.078 1.00 0.00 H new ATOM 0 HA GLU A 13 7.361 -0.136 4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.020 1.758 6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.460 1.323 5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.728 3.051 3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.524 3.581 4.626 1.00 0.00 H new ATOM 148 N LEU A 14 6.350 1.926 2.582 1.00 0.00 N ATOM 149 CA LEU A 14 5.183 2.552 1.937 1.00 0.00 C ATOM 150 C LEU A 14 4.287 1.430 1.401 1.00 0.00 C ATOM 151 O LEU A 14 3.289 1.169 2.054 1.00 0.00 O ATOM 152 CB LEU A 14 5.536 3.522 0.802 1.00 0.00 C ATOM 153 CG LEU A 14 6.547 4.601 1.206 1.00 0.00 C ATOM 154 CD1 LEU A 14 6.753 5.534 0.006 1.00 0.00 C ATOM 155 CD2 LEU A 14 6.123 5.419 2.425 1.00 0.00 C ATOM 0 H LEU A 14 7.197 1.949 2.014 1.00 0.00 H new ATOM 0 HA LEU A 14 4.678 3.158 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.939 2.955 -0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.624 4.004 0.451 1.00 0.00 H new ATOM 0 HG LEU A 14 7.470 4.096 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.470 6.312 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.133 4.961 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.802 5.993 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.889 6.161 2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.180 5.923 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.998 4.757 3.282 1.00 0.00 H new ATOM 157 N LEU A 15 4.788 0.619 0.483 1.00 0.00 N ATOM 158 CA LEU A 15 4.025 -0.505 -0.097 1.00 0.00 C ATOM 159 C LEU A 15 3.397 -1.424 0.965 1.00 0.00 C ATOM 160 O LEU A 15 2.184 -1.496 0.995 1.00 0.00 O ATOM 161 CB LEU A 15 4.832 -1.340 -1.095 1.00 0.00 C ATOM 162 CG LEU A 15 5.694 -0.517 -2.063 1.00 0.00 C ATOM 163 CD1 LEU A 15 6.355 -1.457 -3.059 1.00 0.00 C ATOM 164 CD2 LEU A 15 4.944 0.592 -2.809 1.00 0.00 C ATOM 0 H LEU A 15 5.733 0.711 0.111 1.00 0.00 H new ATOM 0 HA LEU A 15 3.217 -0.020 -0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.479 -2.020 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.144 -1.955 -1.675 1.00 0.00 H new ATOM 0 HG LEU A 15 6.433 -0.001 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.969 -0.881 -3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.982 -2.171 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.588 -1.994 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.634 1.118 -3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.140 0.153 -3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.523 1.294 -2.089 1.00 0.00 H new ATOM 166 N SER A 16 4.151 -1.800 1.999 1.00 0.00 N ATOM 167 CA SER A 16 3.658 -2.593 3.150 1.00 0.00 C ATOM 168 C SER A 16 2.296 -2.123 3.713 1.00 0.00 C ATOM 169 O SER A 16 1.437 -2.947 4.022 1.00 0.00 O ATOM 170 CB SER A 16 4.673 -2.564 4.308 1.00 0.00 C ATOM 171 OG SER A 16 4.784 -1.233 4.793 1.00 0.00 O ATOM 0 H SER A 16 5.140 -1.563 2.071 1.00 0.00 H new ATOM 0 HA SER A 16 3.528 -3.599 2.752 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.351 -3.230 5.108 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.644 -2.922 3.966 1.00 0.00 H new ATOM 0 HG SER A 16 5.428 -1.207 5.532 1.00 0.00 H new ATOM 174 N LYS A 17 2.121 -0.804 3.686 1.00 0.00 N ATOM 175 CA LYS A 17 0.875 -0.093 4.015 1.00 0.00 C ATOM 176 C LYS A 17 0.080 0.484 2.818 1.00 0.00 C ATOM 177 O LYS A 17 -1.061 0.106 2.626 1.00 0.00 O ATOM 178 CB LYS A 17 1.096 0.942 5.125 1.00 0.00 C ATOM 179 CG LYS A 17 2.314 1.834 4.887 1.00 0.00 C ATOM 180 CD LYS A 17 2.582 2.810 6.037 1.00 0.00 C ATOM 181 CE LYS A 17 1.573 3.952 6.028 1.00 0.00 C ATOM 182 NZ LYS A 17 0.974 4.032 7.360 1.00 0.00 N ATOM 0 H LYS A 17 2.874 -0.168 3.423 1.00 0.00 H new ATOM 0 HA LYS A 17 0.215 -0.874 4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.208 1.568 5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.214 0.424 6.077 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.193 1.206 4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.168 2.399 3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.529 2.280 6.988 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.592 3.211 5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.062 4.892 5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.805 3.777 5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.279 4.806 7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.499 3.134 7.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.717 4.214 8.064 1.00 0.00 H new ATOM 187 N ASN A 18 0.694 1.229 1.926 1.00 0.00 N ATOM 188 CA ASN A 18 0.071 1.797 0.698 1.00 0.00 C ATOM 189 C ASN A 18 -0.619 0.709 -0.177 1.00 0.00 C ATOM 190 O ASN A 18 -1.716 0.917 -0.673 1.00 0.00 O ATOM 191 CB ASN A 18 1.139 2.536 -0.109 1.00 0.00 C ATOM 192 CG ASN A 18 0.564 3.668 -0.957 1.00 0.00 C ATOM 193 OD1 ASN A 18 0.829 4.844 -0.745 1.00 0.00 O ATOM 194 ND2 ASN A 18 -0.253 3.352 -1.938 1.00 0.00 N ATOM 0 H ASN A 18 1.679 1.479 2.017 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.712 2.490 1.006 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.886 2.943 0.573 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.652 1.827 -0.758 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.662 4.085 -2.517 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.478 2.374 -2.120 1.00 0.00 H new ATOM 198 N TYR A 19 0.012 -0.457 -0.266 1.00 0.00 N ATOM 199 CA TYR A 19 -0.513 -1.655 -0.966 1.00 0.00 C ATOM 200 C TYR A 19 -1.724 -2.239 -0.214 1.00 0.00 C ATOM 201 O TYR A 19 -2.733 -2.529 -0.846 1.00 0.00 O ATOM 202 CB TYR A 19 0.602 -2.702 -1.055 1.00 0.00 C ATOM 203 CG TYR A 19 0.582 -3.599 -2.281 1.00 0.00 C ATOM 204 CD1 TYR A 19 -0.342 -4.671 -2.337 1.00 0.00 C ATOM 205 CD2 TYR A 19 1.567 -3.398 -3.273 1.00 0.00 C ATOM 206 CE1 TYR A 19 -0.279 -5.554 -3.434 1.00 0.00 C ATOM 207 CE2 TYR A 19 1.630 -4.290 -4.366 1.00 0.00 C ATOM 208 CZ TYR A 19 0.697 -5.344 -4.433 1.00 0.00 C ATOM 209 OH TYR A 19 0.701 -6.165 -5.519 1.00 0.00 O ATOM 0 H TYR A 19 0.928 -0.613 0.154 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.841 -1.372 -1.966 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.561 -2.185 -1.024 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.551 -3.333 -0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.077 -4.809 -1.558 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.262 -2.575 -3.197 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.969 -6.381 -3.510 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.378 -4.167 -5.135 1.00 0.00 H new ATOM 0 HH TYR A 19 1.426 -5.903 -6.124 1.00 0.00 H new ATOM 212 N HIS A 20 -1.667 -2.278 1.117 1.00 0.00 N ATOM 213 CA HIS A 20 -2.806 -2.732 1.962 1.00 0.00 C ATOM 214 C HIS A 20 -3.917 -1.663 2.121 1.00 0.00 C ATOM 215 O HIS A 20 -5.039 -1.966 2.512 1.00 0.00 O ATOM 216 CB HIS A 20 -2.350 -3.327 3.309 1.00 0.00 C ATOM 217 CG HIS A 20 -1.973 -2.425 4.499 1.00 0.00 C ATOM 218 ND1 HIS A 20 -2.487 -1.253 4.842 1.00 0.00 N flip ATOM 219 CD2 HIS A 20 -1.148 -2.781 5.485 1.00 0.00 C flip ATOM 220 CE1 HIS A 20 -1.938 -0.852 5.987 1.00 0.00 C flip ATOM 221 NE2 HIS A 20 -1.147 -1.837 6.410 1.00 0.00 N flip ATOM 0 H HIS A 20 -0.843 -2.001 1.651 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.269 -3.551 1.412 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.148 -3.986 3.651 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.484 -3.956 3.101 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.573 -3.694 5.522 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.103 0.094 6.480 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.633 -1.859 7.290 1.00 0.00 H new ATOM 225 N LEU A 21 -3.592 -0.426 1.762 1.00 0.00 N ATOM 226 CA LEU A 21 -4.470 0.756 1.847 1.00 0.00 C ATOM 227 C LEU A 21 -5.468 0.782 0.690 1.00 0.00 C ATOM 228 O LEU A 21 -6.671 0.937 0.921 1.00 0.00 O ATOM 229 CB LEU A 21 -3.586 2.018 1.881 1.00 0.00 C ATOM 230 CG LEU A 21 -4.330 3.339 1.684 1.00 0.00 C ATOM 231 CD1 LEU A 21 -5.244 3.671 2.871 1.00 0.00 C ATOM 232 CD2 LEU A 21 -3.338 4.465 1.412 1.00 0.00 C ATOM 0 H LEU A 21 -2.671 -0.200 1.386 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.064 0.716 2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.065 2.052 2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.824 1.929 1.107 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.980 3.230 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.751 4.618 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.984 2.880 2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.646 3.751 3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.879 5.401 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.657 4.562 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.768 4.238 0.511 1.00 0.00 H new ATOM 234 N GLU A 22 -4.957 0.514 -0.507 1.00 0.00 N ATOM 235 CA GLU A 22 -5.800 0.419 -1.725 1.00 0.00 C ATOM 236 C GLU A 22 -6.905 -0.647 -1.568 1.00 0.00 C ATOM 237 O GLU A 22 -8.037 -0.403 -1.965 1.00 0.00 O ATOM 238 CB GLU A 22 -4.905 0.239 -2.968 1.00 0.00 C ATOM 239 CG GLU A 22 -4.548 -1.199 -3.395 1.00 0.00 C ATOM 240 CD GLU A 22 -5.648 -1.880 -4.228 1.00 0.00 C ATOM 241 OE1 GLU A 22 -6.633 -1.292 -4.661 1.00 0.00 O ATOM 242 OE2 GLU A 22 -5.483 -3.187 -4.483 1.00 0.00 O ATOM 0 H GLU A 22 -3.963 0.356 -0.675 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.343 1.353 -1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.399 0.725 -3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.974 0.777 -2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.624 -1.180 -3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.354 -1.797 -2.505 1.00 0.00 H new ATOM 245 N ASN A 23 -6.613 -1.675 -0.774 1.00 0.00 N ATOM 246 CA ASN A 23 -7.576 -2.733 -0.426 1.00 0.00 C ATOM 247 C ASN A 23 -8.807 -2.147 0.297 1.00 0.00 C ATOM 248 O ASN A 23 -9.938 -2.409 -0.119 1.00 0.00 O ATOM 249 CB ASN A 23 -6.909 -3.809 0.453 1.00 0.00 C ATOM 250 CG ASN A 23 -7.706 -5.111 0.598 1.00 0.00 C ATOM 251 OD1 ASN A 23 -9.019 -5.081 0.439 1.00 0.00 O flip ATOM 252 ND2 ASN A 23 -7.165 -6.175 0.836 1.00 0.00 N flip ATOM 0 H ASN A 23 -5.695 -1.804 -0.347 1.00 0.00 H new ATOM 0 HA ASN A 23 -7.911 -3.196 -1.354 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.931 -4.044 0.034 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.739 -3.392 1.446 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.154 -6.216 0.961 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.723 -7.026 0.910 1.00 0.00 H new ATOM 256 N GLU A 24 -8.569 -1.333 1.312 1.00 0.00 N ATOM 257 CA GLU A 24 -9.657 -0.665 2.055 1.00 0.00 C ATOM 258 C GLU A 24 -10.414 0.324 1.149 1.00 0.00 C ATOM 259 O GLU A 24 -11.608 0.112 0.954 1.00 0.00 O ATOM 260 CB GLU A 24 -9.148 0.019 3.328 1.00 0.00 C ATOM 261 CG GLU A 24 -10.327 0.554 4.157 1.00 0.00 C ATOM 262 CD GLU A 24 -10.231 0.090 5.598 1.00 0.00 C ATOM 263 OE1 GLU A 24 -10.711 -0.971 5.992 1.00 0.00 O ATOM 264 OE2 GLU A 24 -9.555 0.899 6.443 1.00 0.00 O ATOM 0 H GLU A 24 -7.633 -1.110 1.651 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.358 -1.438 2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.569 -0.688 3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.478 0.838 3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.337 1.643 4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.267 0.212 3.723 1.00 0.00 H new ATOM 267 N VAL A 25 -9.695 1.271 0.551 1.00 0.00 N ATOM 268 CA VAL A 25 -10.225 2.234 -0.443 1.00 0.00 C ATOM 269 C VAL A 25 -11.161 1.541 -1.457 1.00 0.00 C ATOM 270 O VAL A 25 -12.263 2.032 -1.702 1.00 0.00 O ATOM 271 CB VAL A 25 -9.069 2.987 -1.143 1.00 0.00 C ATOM 272 CG1 VAL A 25 -9.576 4.050 -2.134 1.00 0.00 C ATOM 273 CG2 VAL A 25 -8.165 3.700 -0.136 1.00 0.00 C ATOM 0 H VAL A 25 -8.702 1.403 0.741 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.827 2.973 0.086 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.512 2.218 -1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.726 4.550 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.180 3.571 -2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.182 4.784 -1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.366 4.217 -0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.751 4.423 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.733 2.968 0.547 1.00 0.00 H new ATOM 275 N ALA A 26 -10.785 0.324 -1.859 1.00 0.00 N ATOM 276 CA ALA A 26 -11.623 -0.552 -2.692 1.00 0.00 C ATOM 277 C ALA A 26 -12.948 -0.942 -2.004 1.00 0.00 C ATOM 278 O ALA A 26 -13.953 -0.290 -2.279 1.00 0.00 O ATOM 279 CB ALA A 26 -10.821 -1.771 -3.165 1.00 0.00 C ATOM 0 H ALA A 26 -9.884 -0.087 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.917 0.015 -3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.456 -2.408 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.965 -1.438 -3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.471 -2.334 -2.300 1.00 0.00 H new ATOM 281 N ARG A 27 -12.900 -1.817 -0.994 1.00 0.00 N ATOM 282 CA ARG A 27 -14.080 -2.251 -0.203 1.00 0.00 C ATOM 283 C ARG A 27 -14.952 -1.064 0.269 1.00 0.00 C ATOM 284 O ARG A 27 -16.164 -1.089 0.094 1.00 0.00 O ATOM 285 CB ARG A 27 -13.562 -3.077 0.986 1.00 0.00 C ATOM 286 CG ARG A 27 -14.587 -4.040 1.626 1.00 0.00 C ATOM 287 CD ARG A 27 -14.579 -5.440 1.000 1.00 0.00 C ATOM 288 NE ARG A 27 -15.385 -5.452 -0.226 1.00 0.00 N ATOM 289 CZ ARG A 27 -16.249 -6.407 -0.595 1.00 0.00 C ATOM 290 NH1 ARG A 27 -15.893 -7.684 -0.655 1.00 0.00 N ATOM 291 NH2 ARG A 27 -17.250 -6.054 -1.386 1.00 0.00 N ATOM 0 H ARG A 27 -12.031 -2.257 -0.690 1.00 0.00 H new ATOM 0 HA ARG A 27 -14.735 -2.854 -0.833 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.702 -3.658 0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -13.206 -2.391 1.754 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -14.378 -4.125 2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -15.585 -3.613 1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.556 -5.739 0.774 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -14.974 -6.166 1.711 1.00 0.00 H new ATOM 0 HE ARG A 27 -15.277 -4.658 -0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -14.940 -7.960 -0.417 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -16.572 -8.390 -0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -17.341 -5.085 -1.691 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -17.930 -6.751 -1.690 1.00 0.00 H new ATOM 298 N LEU A 28 -14.290 0.042 0.616 1.00 0.00 N ATOM 299 CA LEU A 28 -14.874 1.356 0.953 1.00 0.00 C ATOM 300 C LEU A 28 -15.682 1.985 -0.204 1.00 0.00 C ATOM 301 O LEU A 28 -16.858 2.291 -0.050 1.00 0.00 O ATOM 302 CB LEU A 28 -13.730 2.269 1.459 1.00 0.00 C ATOM 303 CG LEU A 28 -13.956 3.778 1.317 1.00 0.00 C ATOM 304 CD1 LEU A 28 -15.063 4.282 2.248 1.00 0.00 C ATOM 305 CD2 LEU A 28 -12.657 4.544 1.592 1.00 0.00 C ATOM 0 H LEU A 28 -13.272 0.052 0.675 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.615 1.226 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.554 2.046 2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.819 2.007 0.921 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.274 3.960 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.190 5.356 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.998 3.774 2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.791 4.075 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.836 5.614 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.317 4.331 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.893 4.232 0.880 1.00 0.00 H new ATOM 307 N LYS A 29 -15.029 2.229 -1.336 1.00 0.00 N ATOM 308 CA LYS A 29 -15.700 2.793 -2.530 1.00 0.00 C ATOM 309 C LYS A 29 -16.798 1.871 -3.100 1.00 0.00 C ATOM 310 O LYS A 29 -17.838 2.361 -3.533 1.00 0.00 O ATOM 311 CB LYS A 29 -14.696 3.225 -3.593 1.00 0.00 C ATOM 312 CG LYS A 29 -13.949 4.476 -3.122 1.00 0.00 C ATOM 313 CD LYS A 29 -13.044 5.009 -4.236 1.00 0.00 C ATOM 314 CE LYS A 29 -12.293 6.259 -3.787 1.00 0.00 C ATOM 315 NZ LYS A 29 -11.538 6.808 -4.925 1.00 0.00 N ATOM 0 H LYS A 29 -14.033 2.049 -1.464 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.217 3.692 -2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.988 2.419 -3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.211 3.430 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.664 5.244 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.352 4.241 -2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.331 4.238 -4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.644 5.239 -5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.995 7.002 -3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.615 6.016 -2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.025 7.660 -4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.859 6.098 -5.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.196 7.054 -5.692 1.00 0.00 H new ATOM 320 N LYS A 30 -16.656 0.565 -2.837 1.00 0.00 N ATOM 321 CA LYS A 30 -17.717 -0.439 -3.086 1.00 0.00 C ATOM 322 C LYS A 30 -18.964 -0.224 -2.212 1.00 0.00 C ATOM 323 O LYS A 30 -20.054 -0.677 -2.561 1.00 0.00 O ATOM 324 CB LYS A 30 -17.185 -1.867 -2.915 1.00 0.00 C ATOM 325 CG LYS A 30 -16.572 -2.508 -4.169 1.00 0.00 C ATOM 326 CD LYS A 30 -15.108 -2.143 -4.455 1.00 0.00 C ATOM 327 CE LYS A 30 -14.931 -0.995 -5.459 1.00 0.00 C ATOM 328 NZ LYS A 30 -13.629 -0.358 -5.246 1.00 0.00 N ATOM 0 H LYS A 30 -15.803 0.167 -2.445 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.025 -0.300 -4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -16.431 -1.862 -2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -18.002 -2.500 -2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.645 -3.591 -4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -17.174 -2.222 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.624 -1.869 -3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.593 -3.025 -4.834 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.000 -1.375 -6.478 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.730 -0.264 -5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.341 0.141 -6.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.699 0.321 -4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.921 -1.084 -5.014 1.00 0.00 H new ATOM 333 N LEU A 31 -18.798 0.515 -1.123 1.00 0.00 N ATOM 334 CA LEU A 31 -19.891 0.926 -0.224 1.00 0.00 C ATOM 335 C LEU A 31 -20.563 2.247 -0.653 1.00 0.00 C ATOM 336 O LEU A 31 -21.784 2.324 -0.777 1.00 0.00 O ATOM 337 CB LEU A 31 -19.409 1.022 1.231 1.00 0.00 C ATOM 338 CG LEU A 31 -18.731 -0.273 1.717 1.00 0.00 C ATOM 339 CD1 LEU A 31 -17.887 0.029 2.951 1.00 0.00 C ATOM 340 CD2 LEU A 31 -19.730 -1.387 2.060 1.00 0.00 C ATOM 0 H LEU A 31 -17.884 0.857 -0.826 1.00 0.00 H new ATOM 0 HA LEU A 31 -20.648 0.145 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -18.708 1.852 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -20.258 1.248 1.877 1.00 0.00 H new ATOM 0 HG LEU A 31 -18.114 -0.632 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -17.407 -0.886 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -17.125 0.766 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -18.526 0.424 3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -19.188 -2.271 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -20.396 -1.047 2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -20.316 -1.635 1.175 1.00 0.00 H new ATOM 342 N VAL A 32 -19.712 3.193 -1.057 1.00 0.00 N ATOM 343 CA VAL A 32 -20.113 4.510 -1.596 1.00 0.00 C ATOM 344 C VAL A 32 -20.817 4.432 -2.980 1.00 0.00 C ATOM 345 O VAL A 32 -21.550 5.335 -3.362 1.00 0.00 O ATOM 346 CB VAL A 32 -18.876 5.441 -1.563 1.00 0.00 C ATOM 347 CG1 VAL A 32 -18.996 6.755 -2.348 1.00 0.00 C ATOM 348 CG2 VAL A 32 -18.558 5.806 -0.108 1.00 0.00 C ATOM 0 H VAL A 32 -18.700 3.069 -1.021 1.00 0.00 H new ATOM 0 HA VAL A 32 -20.889 4.937 -0.962 1.00 0.00 H new ATOM 0 HB VAL A 32 -18.091 4.863 -2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -18.070 7.322 -2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -19.179 6.535 -3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -19.824 7.342 -1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -17.688 6.462 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -19.413 6.318 0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.347 4.898 0.457 1.00 0.00 H new ATOM 350 N GLY A 33 -20.691 3.266 -3.619 1.00 0.00 N ATOM 351 CA GLY A 33 -21.290 2.971 -4.941 1.00 0.00 C ATOM 352 C GLY A 33 -22.080 1.657 -4.915 1.00 0.00 C ATOM 353 O GLY A 33 -21.776 0.758 -5.704 1.00 0.00 O ATOM 0 H GLY A 33 -20.163 2.483 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -21.949 3.788 -5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.504 2.910 -5.693 1.00 0.00 H new ATOM 355 N GLU A 34 -23.008 1.577 -3.944 1.00 0.00 N ATOM 356 CA GLU A 34 -23.980 0.489 -3.685 1.00 0.00 C ATOM 357 C GLU A 34 -23.426 -0.557 -2.678 1.00 0.00 C ATOM 358 O GLU A 34 -22.998 -1.654 -3.034 1.00 0.00 O ATOM 359 CB GLU A 34 -24.496 -0.181 -4.977 1.00 0.00 C ATOM 360 CG GLU A 34 -25.850 -0.902 -4.878 1.00 0.00 C ATOM 361 CD GLU A 34 -25.898 -1.969 -3.789 1.00 0.00 C ATOM 362 OE1 GLU A 34 -26.384 -1.738 -2.693 1.00 0.00 O ATOM 363 OE2 GLU A 34 -25.440 -3.199 -4.096 1.00 0.00 O ATOM 0 H GLU A 34 -23.109 2.330 -3.263 1.00 0.00 H new ATOM 0 HA GLU A 34 -24.845 0.964 -3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -24.571 0.582 -5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -23.749 -0.901 -5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -26.631 -0.166 -4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -26.076 -1.365 -5.838 1.00 0.00 H new ATOM 366 N ARG A 35 -23.551 -0.215 -1.395 1.00 0.00 N ATOM 367 CA ARG A 35 -23.143 -1.121 -0.288 1.00 0.00 C ATOM 368 C ARG A 35 -24.008 -2.371 -0.038 1.00 0.00 C ATOM 369 O ARG A 35 -23.460 -3.327 0.549 1.00 0.00 O ATOM 370 CB ARG A 35 -22.935 -0.309 1.005 1.00 0.00 C ATOM 371 CG ARG A 35 -24.148 0.071 1.854 1.00 0.00 C ATOM 372 CD ARG A 35 -23.832 1.415 2.522 1.00 0.00 C ATOM 373 NE ARG A 35 -24.341 2.441 1.593 1.00 0.00 N ATOM 374 CZ ARG A 35 -24.601 3.709 1.876 1.00 0.00 C ATOM 375 NH1 ARG A 35 -23.958 4.380 2.824 1.00 0.00 N ATOM 376 NH2 ARG A 35 -25.824 4.133 1.597 1.00 0.00 N ATOM 377 OXT ARG A 35 -25.225 -2.301 -0.316 1.00 0.00 O ATOM 0 H ARG A 35 -23.930 0.679 -1.083 1.00 0.00 H new ATOM 0 HA ARG A 35 -22.205 -1.556 -0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -22.254 -0.875 1.641 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -22.423 0.614 0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -25.041 0.150 1.235 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -24.347 -0.694 2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -24.314 1.493 3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -22.761 1.530 2.686 1.00 0.00 H new ATOM 0 HE ARG A 35 -24.511 2.143 0.632 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -23.229 3.920 3.370 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -24.192 5.356 3.007 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -26.505 3.493 1.187 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -26.086 5.099 1.792 1.00 0.00 H new TER 384 ARG A 35