USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=9 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 Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.03 K(o=-1,f=-1.8) USER MOD Single : A 4 MET CE :methyl -148:sc= -1.74 (180deg=-3.12) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.987 K(o=-0.99,f=-4.6) USER MOD Single : A 10 LYS NZ :NH3+ -150:sc= -0.108 (180deg=-0.706) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0848) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0639 F(o=-1.5,f=-0.064) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.18) USER MOD Single : A 23 ASN :FLIP amide:sc= -1.58 F(o=-3.6!,f=-1.6) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= -0.936 (180deg=-1.23) USER MOD Single : A 30 LYS NZ :NH3+ 152:sc= -0.0582 (180deg=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 28.690 0.659 -5.997 1.00 0.00 N ATOM 2 CA LEU A 1 27.764 1.172 -4.939 1.00 0.00 C ATOM 3 C LEU A 1 26.621 2.032 -5.503 1.00 0.00 C ATOM 4 O LEU A 1 26.748 2.703 -6.535 1.00 0.00 O ATOM 5 CB LEU A 1 28.606 1.835 -3.837 1.00 0.00 C ATOM 6 CG LEU A 1 28.173 3.241 -3.376 1.00 0.00 C ATOM 7 CD1 LEU A 1 28.646 3.504 -1.949 1.00 0.00 C ATOM 8 CD2 LEU A 1 28.752 4.318 -4.300 1.00 0.00 C ATOM 0 H1 LEU A 1 29.438 0.087 -5.556 1.00 0.00 H new ATOM 0 H2 LEU A 1 28.157 0.072 -6.670 1.00 0.00 H new ATOM 0 H3 LEU A 1 29.119 1.461 -6.501 1.00 0.00 H new ATOM 0 HA LEU A 1 27.223 0.343 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 1 28.604 1.178 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 1 29.636 1.896 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 1 27.084 3.283 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 1 28.332 4.501 -1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 1 28.211 2.762 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 1 29.733 3.437 -1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 1 28.434 5.302 -3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 1 29.841 4.263 -4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 1 28.394 4.156 -5.317 1.00 0.00 H new ATOM 12 N GLN A 2 25.481 1.905 -4.837 1.00 0.00 N ATOM 13 CA GLN A 2 24.232 2.589 -5.240 1.00 0.00 C ATOM 14 C GLN A 2 23.221 2.622 -4.094 1.00 0.00 C ATOM 15 O GLN A 2 23.371 1.946 -3.081 1.00 0.00 O ATOM 16 CB GLN A 2 23.637 1.937 -6.494 1.00 0.00 C ATOM 17 CG GLN A 2 23.570 0.405 -6.446 1.00 0.00 C ATOM 18 CD GLN A 2 23.166 -0.206 -7.790 1.00 0.00 C ATOM 19 OE1 GLN A 2 22.339 -1.098 -7.864 1.00 0.00 O ATOM 20 NE2 GLN A 2 23.726 0.261 -8.885 1.00 0.00 N ATOM 0 H GLN A 2 25.383 1.328 -4.001 1.00 0.00 H new ATOM 0 HA GLN A 2 24.477 3.623 -5.484 1.00 0.00 H new ATOM 0 HB2 GLN A 2 22.631 2.327 -6.648 1.00 0.00 H new ATOM 0 HB3 GLN A 2 24.230 2.235 -7.359 1.00 0.00 H new ATOM 0 HG2 GLN A 2 24.542 0.011 -6.149 1.00 0.00 H new ATOM 0 HG3 GLN A 2 22.855 0.099 -5.682 1.00 0.00 H new ATOM 0 HE21 GLN A 2 24.418 1.008 -8.825 1.00 0.00 H new ATOM 0 HE22 GLN A 2 23.468 -0.123 -9.794 1.00 0.00 H new ATOM 24 N ARG A 3 22.138 3.341 -4.352 1.00 0.00 N ATOM 25 CA ARG A 3 21.028 3.438 -3.385 1.00 0.00 C ATOM 26 C ARG A 3 19.952 2.362 -3.550 1.00 0.00 C ATOM 27 O ARG A 3 19.025 2.331 -2.751 1.00 0.00 O ATOM 28 CB ARG A 3 20.450 4.841 -3.445 1.00 0.00 C ATOM 29 CG ARG A 3 21.190 5.790 -2.510 1.00 0.00 C ATOM 30 CD ARG A 3 20.594 7.183 -2.674 1.00 0.00 C ATOM 31 NE ARG A 3 20.769 8.002 -1.465 1.00 0.00 N ATOM 32 CZ ARG A 3 21.600 9.043 -1.334 1.00 0.00 C ATOM 33 NH1 ARG A 3 22.824 9.011 -1.839 1.00 0.00 N ATOM 34 NH2 ARG A 3 21.390 9.915 -0.367 1.00 0.00 N ATOM 0 H ARG A 3 21.994 3.867 -5.214 1.00 0.00 H new ATOM 0 HA ARG A 3 21.437 3.246 -2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 3 20.508 5.216 -4.467 1.00 0.00 H new ATOM 0 HB3 ARG A 3 19.394 4.813 -3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 3 21.096 5.456 -1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 3 22.254 5.802 -2.745 1.00 0.00 H new ATOM 0 HD2 ARG A 3 21.065 7.682 -3.521 1.00 0.00 H new ATOM 0 HD3 ARG A 3 19.532 7.098 -2.904 1.00 0.00 H new ATOM 0 HE ARG A 3 20.205 7.754 -0.652 1.00 0.00 H new ATOM 0 HH11 ARG A 3 23.148 8.183 -2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 3 23.442 9.815 -1.729 1.00 0.00 H new ATOM 0 HH21 ARG A 3 20.602 9.791 0.269 1.00 0.00 H new ATOM 0 HH22 ARG A 3 22.015 10.713 -0.255 1.00 0.00 H new ATOM 41 N MET A 4 20.244 1.326 -4.343 1.00 0.00 N ATOM 42 CA MET A 4 19.296 0.196 -4.547 1.00 0.00 C ATOM 43 C MET A 4 19.076 -0.687 -3.305 1.00 0.00 C ATOM 44 O MET A 4 18.013 -1.295 -3.174 1.00 0.00 O ATOM 45 CB MET A 4 19.684 -0.637 -5.771 1.00 0.00 C ATOM 46 CG MET A 4 19.220 -0.007 -7.095 1.00 0.00 C ATOM 47 SD MET A 4 20.267 1.318 -7.803 1.00 0.00 S ATOM 48 CE MET A 4 19.560 2.805 -7.164 1.00 0.00 C ATOM 0 H MET A 4 21.120 1.235 -4.857 1.00 0.00 H new ATOM 0 HA MET A 4 18.328 0.661 -4.733 1.00 0.00 H new ATOM 0 HB2 MET A 4 20.767 -0.759 -5.793 1.00 0.00 H new ATOM 0 HB3 MET A 4 19.252 -1.634 -5.678 1.00 0.00 H new ATOM 0 HG2 MET A 4 19.134 -0.802 -7.836 1.00 0.00 H new ATOM 0 HG3 MET A 4 18.219 0.397 -6.944 1.00 0.00 H new ATOM 0 HE1 MET A 4 19.684 3.608 -7.890 1.00 0.00 H new ATOM 0 HE2 MET A 4 18.498 2.650 -6.973 1.00 0.00 H new ATOM 0 HE3 MET A 4 20.060 3.076 -6.234 1.00 0.00 H new ATOM 50 N LYS A 5 19.919 -0.492 -2.301 1.00 0.00 N ATOM 51 CA LYS A 5 19.781 -1.138 -0.971 1.00 0.00 C ATOM 52 C LYS A 5 18.855 -0.343 -0.038 1.00 0.00 C ATOM 53 O LYS A 5 18.175 -0.922 0.817 1.00 0.00 O ATOM 54 CB LYS A 5 21.181 -1.280 -0.350 1.00 0.00 C ATOM 55 CG LYS A 5 21.301 -2.416 0.682 1.00 0.00 C ATOM 56 CD LYS A 5 21.720 -3.740 0.037 1.00 0.00 C ATOM 57 CE LYS A 5 20.548 -4.665 -0.310 1.00 0.00 C ATOM 58 NZ LYS A 5 20.902 -5.447 -1.499 1.00 0.00 N ATOM 0 H LYS A 5 20.731 0.122 -2.371 1.00 0.00 H new ATOM 0 HA LYS A 5 19.324 -2.119 -1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 5 21.904 -1.451 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 5 21.451 -0.339 0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 5 22.030 -2.138 1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 5 20.345 -2.547 1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 5 22.282 -3.527 -0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 5 22.395 -4.264 0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 5 20.329 -5.328 0.527 1.00 0.00 H new ATOM 0 HE3 LYS A 5 19.647 -4.080 -0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.114 -6.080 -1.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 21.091 -4.804 -2.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 21.752 -6.013 -1.302 1.00 0.00 H new ATOM 63 N GLN A 6 18.743 0.965 -0.279 1.00 0.00 N ATOM 64 CA GLN A 6 17.863 1.860 0.497 1.00 0.00 C ATOM 65 C GLN A 6 16.546 2.153 -0.244 1.00 0.00 C ATOM 66 O GLN A 6 15.482 2.026 0.349 1.00 0.00 O ATOM 67 CB GLN A 6 18.635 3.123 0.939 1.00 0.00 C ATOM 68 CG GLN A 6 18.612 4.360 0.027 1.00 0.00 C ATOM 69 CD GLN A 6 17.314 5.167 0.189 1.00 0.00 C ATOM 70 OE1 GLN A 6 16.423 5.179 -0.633 1.00 0.00 O ATOM 71 NE2 GLN A 6 17.175 5.861 1.288 1.00 0.00 N ATOM 0 H GLN A 6 19.259 1.441 -1.019 1.00 0.00 H new ATOM 0 HA GLN A 6 17.558 1.351 1.411 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.248 3.423 1.913 1.00 0.00 H new ATOM 0 HB3 GLN A 6 19.677 2.839 1.084 1.00 0.00 H new ATOM 0 HG2 GLN A 6 19.466 4.997 0.257 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.718 4.047 -1.012 1.00 0.00 H new ATOM 0 HE21 GLN A 6 17.916 5.860 1.989 1.00 0.00 H new ATOM 0 HE22 GLN A 6 16.325 6.403 1.445 1.00 0.00 H new ATOM 75 N LEU A 7 16.631 2.335 -1.560 1.00 0.00 N ATOM 76 CA LEU A 7 15.465 2.564 -2.437 1.00 0.00 C ATOM 77 C LEU A 7 14.532 1.345 -2.413 1.00 0.00 C ATOM 78 O LEU A 7 13.422 1.488 -1.910 1.00 0.00 O ATOM 79 CB LEU A 7 15.870 2.950 -3.862 1.00 0.00 C ATOM 80 CG LEU A 7 16.554 4.324 -3.897 1.00 0.00 C ATOM 81 CD1 LEU A 7 17.175 4.554 -5.270 1.00 0.00 C ATOM 82 CD2 LEU A 7 15.592 5.486 -3.621 1.00 0.00 C ATOM 0 H LEU A 7 17.519 2.329 -2.062 1.00 0.00 H new ATOM 0 HA LEU A 7 14.917 3.420 -2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.544 2.196 -4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.987 2.965 -4.501 1.00 0.00 H new ATOM 0 HG LEU A 7 17.306 4.309 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.660 5.530 -5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.914 3.778 -5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.396 4.519 -6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 7 16.139 6.428 -3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.804 5.492 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.149 5.365 -2.632 1.00 0.00 H new ATOM 84 N GLU A 8 15.097 0.153 -2.555 1.00 0.00 N ATOM 85 CA GLU A 8 14.294 -1.093 -2.434 1.00 0.00 C ATOM 86 C GLU A 8 13.710 -1.332 -1.028 1.00 0.00 C ATOM 87 O GLU A 8 12.548 -1.711 -0.912 1.00 0.00 O ATOM 88 CB GLU A 8 15.050 -2.315 -2.943 1.00 0.00 C ATOM 89 CG GLU A 8 15.137 -2.308 -4.472 1.00 0.00 C ATOM 90 CD GLU A 8 15.814 -3.581 -4.985 1.00 0.00 C ATOM 91 OE1 GLU A 8 15.181 -4.574 -5.307 1.00 0.00 O ATOM 92 OE2 GLU A 8 17.163 -3.544 -5.100 1.00 0.00 O ATOM 0 H GLU A 8 16.087 0.006 -2.750 1.00 0.00 H new ATOM 0 HA GLU A 8 13.434 -0.937 -3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.054 -2.329 -2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.549 -3.223 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.137 -2.226 -4.897 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.697 -1.434 -4.805 1.00 0.00 H new ATOM 95 N ASP A 9 14.418 -0.837 -0.013 1.00 0.00 N ATOM 96 CA ASP A 9 13.958 -0.872 1.392 1.00 0.00 C ATOM 97 C ASP A 9 12.810 0.126 1.658 1.00 0.00 C ATOM 98 O ASP A 9 11.844 -0.206 2.348 1.00 0.00 O ATOM 99 CB ASP A 9 15.169 -0.634 2.299 1.00 0.00 C ATOM 100 CG ASP A 9 14.807 -0.454 3.772 1.00 0.00 C ATOM 101 OD1 ASP A 9 14.859 -1.363 4.592 1.00 0.00 O ATOM 102 OD2 ASP A 9 14.450 0.802 4.133 1.00 0.00 O ATOM 0 H ASP A 9 15.330 -0.397 -0.133 1.00 0.00 H new ATOM 0 HA ASP A 9 13.533 -1.851 1.612 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.855 -1.476 2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 9 15.702 0.252 1.954 1.00 0.00 H new ATOM 105 N LYS A 10 12.879 1.301 1.038 1.00 0.00 N ATOM 106 CA LYS A 10 11.854 2.357 1.196 1.00 0.00 C ATOM 107 C LYS A 10 10.658 2.186 0.238 1.00 0.00 C ATOM 108 O LYS A 10 9.524 2.530 0.585 1.00 0.00 O ATOM 109 CB LYS A 10 12.519 3.745 1.140 1.00 0.00 C ATOM 110 CG LYS A 10 12.879 4.333 -0.233 1.00 0.00 C ATOM 111 CD LYS A 10 11.702 5.120 -0.825 1.00 0.00 C ATOM 112 CE LYS A 10 12.127 6.475 -1.387 1.00 0.00 C ATOM 113 NZ LYS A 10 12.700 7.302 -0.303 1.00 0.00 N ATOM 0 H LYS A 10 13.641 1.558 0.411 1.00 0.00 H new ATOM 0 HA LYS A 10 11.404 2.258 2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.854 4.451 1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 10 13.434 3.698 1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 10 13.745 4.987 -0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.161 3.529 -0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 10 11.237 4.532 -1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 10 10.946 5.271 -0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 10 12.862 6.337 -2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.270 6.981 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 12.523 8.307 -0.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 12.255 7.045 0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 13.725 7.136 -0.244 1.00 0.00 H new ATOM 118 N VAL A 11 10.913 1.617 -0.933 1.00 0.00 N ATOM 119 CA VAL A 11 9.898 1.276 -1.953 1.00 0.00 C ATOM 120 C VAL A 11 9.023 0.097 -1.490 1.00 0.00 C ATOM 121 O VAL A 11 7.808 0.126 -1.689 1.00 0.00 O ATOM 122 CB VAL A 11 10.556 1.050 -3.335 1.00 0.00 C ATOM 123 CG1 VAL A 11 9.599 0.519 -4.402 1.00 0.00 C ATOM 124 CG2 VAL A 11 11.141 2.359 -3.861 1.00 0.00 C ATOM 0 H VAL A 11 11.859 1.367 -1.220 1.00 0.00 H new ATOM 0 HA VAL A 11 9.223 2.123 -2.074 1.00 0.00 H new ATOM 0 HB VAL A 11 11.324 0.296 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.137 0.388 -5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.191 -0.439 -4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.785 1.229 -4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.601 2.187 -4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.346 3.098 -3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.894 2.727 -3.164 1.00 0.00 H new ATOM 126 N GLU A 12 9.621 -0.872 -0.813 1.00 0.00 N ATOM 127 CA GLU A 12 8.860 -1.987 -0.217 1.00 0.00 C ATOM 128 C GLU A 12 7.852 -1.540 0.839 1.00 0.00 C ATOM 129 O GLU A 12 6.670 -1.912 0.754 1.00 0.00 O ATOM 130 CB GLU A 12 9.802 -3.054 0.329 1.00 0.00 C ATOM 131 CG GLU A 12 9.557 -4.399 -0.356 1.00 0.00 C ATOM 132 CD GLU A 12 9.692 -4.320 -1.886 1.00 0.00 C ATOM 133 OE1 GLU A 12 8.763 -4.568 -2.648 1.00 0.00 O ATOM 134 OE2 GLU A 12 10.875 -3.871 -2.367 1.00 0.00 O ATOM 0 H GLU A 12 10.628 -0.919 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 12 8.269 -2.422 -1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.836 -2.746 0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.657 -3.157 1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.265 -5.133 0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.559 -4.755 -0.101 1.00 0.00 H new ATOM 137 N GLU A 13 8.264 -0.569 1.642 1.00 0.00 N ATOM 138 CA GLU A 13 7.373 0.086 2.638 1.00 0.00 C ATOM 139 C GLU A 13 6.160 0.772 1.986 1.00 0.00 C ATOM 140 O GLU A 13 5.062 0.741 2.546 1.00 0.00 O ATOM 141 CB GLU A 13 8.171 1.043 3.524 1.00 0.00 C ATOM 142 CG GLU A 13 7.396 1.458 4.787 1.00 0.00 C ATOM 143 CD GLU A 13 7.023 0.257 5.653 1.00 0.00 C ATOM 144 OE1 GLU A 13 7.783 -0.227 6.485 1.00 0.00 O ATOM 145 OE2 GLU A 13 5.812 -0.306 5.426 1.00 0.00 O ATOM 0 H GLU A 13 9.216 -0.202 1.636 1.00 0.00 H new ATOM 0 HA GLU A 13 6.961 -0.697 3.275 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.108 0.568 3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.430 1.933 2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.001 2.152 5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.490 1.991 4.497 1.00 0.00 H new ATOM 148 N LEU A 14 6.325 1.203 0.739 1.00 0.00 N ATOM 149 CA LEU A 14 5.223 1.805 -0.046 1.00 0.00 C ATOM 150 C LEU A 14 4.156 0.745 -0.302 1.00 0.00 C ATOM 151 O LEU A 14 3.139 0.804 0.342 1.00 0.00 O ATOM 152 CB LEU A 14 5.658 2.431 -1.374 1.00 0.00 C ATOM 153 CG LEU A 14 6.807 3.444 -1.235 1.00 0.00 C ATOM 154 CD1 LEU A 14 7.107 4.021 -2.612 1.00 0.00 C ATOM 155 CD2 LEU A 14 6.536 4.556 -0.227 1.00 0.00 C ATOM 0 H LEU A 14 7.212 1.151 0.238 1.00 0.00 H new ATOM 0 HA LEU A 14 4.833 2.627 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.966 1.638 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.801 2.928 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 14 7.671 2.910 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.920 4.743 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.398 3.217 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.217 4.517 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.393 5.228 -0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.651 5.114 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.370 4.121 0.759 1.00 0.00 H new ATOM 157 N LEU A 15 4.512 -0.331 -1.018 1.00 0.00 N ATOM 158 CA LEU A 15 3.566 -1.431 -1.324 1.00 0.00 C ATOM 159 C LEU A 15 2.947 -2.025 -0.047 1.00 0.00 C ATOM 160 O LEU A 15 1.735 -1.943 0.094 1.00 0.00 O ATOM 161 CB LEU A 15 4.205 -2.548 -2.159 1.00 0.00 C ATOM 162 CG LEU A 15 5.129 -2.063 -3.291 1.00 0.00 C ATOM 163 CD1 LEU A 15 5.593 -3.267 -4.101 1.00 0.00 C ATOM 164 CD2 LEU A 15 4.503 -1.023 -4.225 1.00 0.00 C ATOM 0 H LEU A 15 5.448 -0.470 -1.400 1.00 0.00 H new ATOM 0 HA LEU A 15 2.774 -0.979 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.777 -3.196 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.412 -3.157 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 15 5.965 -1.557 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.248 -2.934 -4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.136 -3.955 -3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.727 -3.776 -4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.225 -0.740 -4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.618 -1.446 -4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.219 -0.141 -3.650 1.00 0.00 H new ATOM 166 N SER A 16 3.764 -2.316 0.960 1.00 0.00 N ATOM 167 CA SER A 16 3.285 -2.755 2.306 1.00 0.00 C ATOM 168 C SER A 16 2.119 -1.927 2.882 1.00 0.00 C ATOM 169 O SER A 16 1.222 -2.496 3.511 1.00 0.00 O ATOM 170 CB SER A 16 4.410 -2.746 3.345 1.00 0.00 C ATOM 171 OG SER A 16 5.041 -4.025 3.378 1.00 0.00 O ATOM 0 H SER A 16 4.780 -2.260 0.886 1.00 0.00 H new ATOM 0 HA SER A 16 2.924 -3.767 2.123 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.140 -1.975 3.098 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.009 -2.502 4.329 1.00 0.00 H new ATOM 0 HG SER A 16 5.762 -4.017 4.042 1.00 0.00 H new ATOM 174 N LYS A 17 2.120 -0.636 2.590 1.00 0.00 N ATOM 175 CA LYS A 17 1.027 0.296 2.909 1.00 0.00 C ATOM 176 C LYS A 17 0.065 0.489 1.717 1.00 0.00 C ATOM 177 O LYS A 17 -1.112 0.196 1.845 1.00 0.00 O ATOM 178 CB LYS A 17 1.624 1.634 3.345 1.00 0.00 C ATOM 179 CG LYS A 17 0.543 2.643 3.766 1.00 0.00 C ATOM 180 CD LYS A 17 1.097 4.060 3.930 1.00 0.00 C ATOM 181 CE LYS A 17 1.548 4.714 2.605 1.00 0.00 C ATOM 182 NZ LYS A 17 0.416 4.922 1.696 1.00 0.00 N ATOM 0 H LYS A 17 2.899 -0.185 2.111 1.00 0.00 H new ATOM 0 HA LYS A 17 0.437 -0.128 3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.309 1.470 4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.210 2.052 2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.252 2.651 3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.095 2.320 4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.334 4.687 4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.944 4.031 4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.028 5.670 2.815 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.293 4.082 2.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.727 5.482 0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.059 4.001 1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.342 5.430 2.196 1.00 0.00 H new ATOM 187 N ASN A 18 0.539 0.947 0.571 1.00 0.00 N ATOM 188 CA ASN A 18 -0.235 1.261 -0.648 1.00 0.00 C ATOM 189 C ASN A 18 -1.068 0.078 -1.191 1.00 0.00 C ATOM 190 O ASN A 18 -2.242 0.233 -1.494 1.00 0.00 O ATOM 191 CB ASN A 18 0.750 1.795 -1.695 1.00 0.00 C ATOM 192 CG ASN A 18 0.096 2.594 -2.831 1.00 0.00 C ATOM 193 OD1 ASN A 18 -0.900 2.046 -3.474 1.00 0.00 O flip ATOM 194 ND2 ASN A 18 0.452 3.731 -3.120 1.00 0.00 N flip ATOM 0 H ASN A 18 1.535 1.125 0.445 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.984 2.013 -0.398 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.483 2.429 -1.196 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.295 0.955 -2.125 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.229 4.164 -2.621 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.029 4.244 -3.859 1.00 0.00 H new ATOM 198 N TYR A 19 -0.453 -1.104 -1.271 1.00 0.00 N ATOM 199 CA TYR A 19 -1.115 -2.379 -1.635 1.00 0.00 C ATOM 200 C TYR A 19 -2.187 -2.735 -0.586 1.00 0.00 C ATOM 201 O TYR A 19 -3.295 -3.158 -0.925 1.00 0.00 O ATOM 202 CB TYR A 19 -0.034 -3.462 -1.661 1.00 0.00 C ATOM 203 CG TYR A 19 -0.218 -4.544 -2.732 1.00 0.00 C ATOM 204 CD1 TYR A 19 -1.034 -5.659 -2.442 1.00 0.00 C ATOM 205 CD2 TYR A 19 0.521 -4.440 -3.929 1.00 0.00 C ATOM 206 CE1 TYR A 19 -1.125 -6.697 -3.390 1.00 0.00 C ATOM 207 CE2 TYR A 19 0.437 -5.472 -4.874 1.00 0.00 C ATOM 208 CZ TYR A 19 -0.394 -6.579 -4.599 1.00 0.00 C ATOM 209 OH TYR A 19 -0.534 -7.556 -5.540 1.00 0.00 O ATOM 0 H TYR A 19 0.543 -1.214 -1.082 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.604 -2.295 -2.606 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.933 -2.983 -1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.001 -3.943 -0.683 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.578 -5.715 -1.511 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.143 -3.577 -4.115 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.739 -7.565 -3.200 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.998 -5.421 -5.796 1.00 0.00 H new ATOM 0 HH TYR A 19 0.024 -7.344 -6.317 1.00 0.00 H new ATOM 212 N HIS A 20 -1.901 -2.399 0.669 1.00 0.00 N ATOM 213 CA HIS A 20 -2.816 -2.485 1.827 1.00 0.00 C ATOM 214 C HIS A 20 -3.711 -1.223 2.001 1.00 0.00 C ATOM 215 O HIS A 20 -4.509 -1.133 2.939 1.00 0.00 O ATOM 216 CB HIS A 20 -1.912 -2.804 3.030 1.00 0.00 C ATOM 217 CG HIS A 20 -2.367 -2.322 4.416 1.00 0.00 C ATOM 218 ND1 HIS A 20 -3.175 -2.961 5.258 1.00 0.00 N ATOM 219 CD2 HIS A 20 -2.200 -1.081 4.878 1.00 0.00 C ATOM 220 CE1 HIS A 20 -3.562 -2.105 6.198 1.00 0.00 C ATOM 221 NE2 HIS A 20 -2.972 -0.951 5.967 1.00 0.00 N ATOM 0 H HIS A 20 -0.982 -2.041 0.929 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.563 -3.268 1.696 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.786 -3.886 3.076 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.929 -2.376 2.833 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.561 -0.321 4.453 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.242 -2.319 7.010 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.083 -0.102 6.522 1.00 0.00 H new ATOM 225 N LEU A 21 -3.676 -0.303 1.061 1.00 0.00 N ATOM 226 CA LEU A 21 -4.478 0.931 1.081 1.00 0.00 C ATOM 227 C LEU A 21 -5.536 0.912 -0.020 1.00 0.00 C ATOM 228 O LEU A 21 -6.712 1.153 0.252 1.00 0.00 O ATOM 229 CB LEU A 21 -3.518 2.134 0.966 1.00 0.00 C ATOM 230 CG LEU A 21 -4.177 3.485 0.676 1.00 0.00 C ATOM 231 CD1 LEU A 21 -5.036 3.985 1.844 1.00 0.00 C ATOM 232 CD2 LEU A 21 -3.097 4.498 0.312 1.00 0.00 C ATOM 0 H LEU A 21 -3.080 -0.381 0.237 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.027 1.014 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.956 2.217 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.797 1.925 0.176 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.860 3.358 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.479 4.946 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.827 3.264 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.413 4.101 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.559 5.463 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.400 4.601 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.559 4.155 -0.572 1.00 0.00 H new ATOM 234 N GLU A 22 -5.122 0.451 -1.195 1.00 0.00 N ATOM 235 CA GLU A 22 -6.046 0.216 -2.326 1.00 0.00 C ATOM 236 C GLU A 22 -7.152 -0.799 -1.996 1.00 0.00 C ATOM 237 O GLU A 22 -8.297 -0.592 -2.413 1.00 0.00 O ATOM 238 CB GLU A 22 -5.268 -0.210 -3.570 1.00 0.00 C ATOM 239 CG GLU A 22 -5.321 0.881 -4.653 1.00 0.00 C ATOM 240 CD GLU A 22 -4.062 1.737 -4.715 1.00 0.00 C ATOM 241 OE1 GLU A 22 -3.041 1.341 -5.252 1.00 0.00 O ATOM 242 OE2 GLU A 22 -4.113 2.956 -4.139 1.00 0.00 O ATOM 0 H GLU A 22 -4.148 0.228 -1.401 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.548 1.162 -2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.231 -0.413 -3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.683 -1.138 -3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.479 0.411 -5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.180 1.525 -4.467 1.00 0.00 H new ATOM 245 N ASN A 23 -6.867 -1.753 -1.108 1.00 0.00 N ATOM 246 CA ASN A 23 -7.887 -2.717 -0.624 1.00 0.00 C ATOM 247 C ASN A 23 -8.976 -2.022 0.203 1.00 0.00 C ATOM 248 O ASN A 23 -10.167 -2.185 -0.055 1.00 0.00 O ATOM 249 CB ASN A 23 -7.257 -3.899 0.152 1.00 0.00 C ATOM 250 CG ASN A 23 -7.072 -3.667 1.667 1.00 0.00 C ATOM 251 OD1 ASN A 23 -5.867 -3.459 2.092 1.00 0.00 O flip ATOM 252 ND2 ASN A 23 -8.005 -3.670 2.452 1.00 0.00 N flip ATOM 0 H ASN A 23 -5.941 -1.888 -0.702 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.363 -3.137 -1.510 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.882 -4.781 0.009 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.285 -4.123 -0.286 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.954 -3.834 2.116 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.837 -3.508 3.445 1.00 0.00 H new ATOM 256 N GLU A 24 -8.529 -1.123 1.084 1.00 0.00 N ATOM 257 CA GLU A 24 -9.407 -0.364 1.989 1.00 0.00 C ATOM 258 C GLU A 24 -10.290 0.619 1.229 1.00 0.00 C ATOM 259 O GLU A 24 -11.498 0.455 1.274 1.00 0.00 O ATOM 260 CB GLU A 24 -8.595 0.352 3.075 1.00 0.00 C ATOM 261 CG GLU A 24 -8.832 -0.357 4.402 1.00 0.00 C ATOM 262 CD GLU A 24 -7.527 -0.393 5.203 1.00 0.00 C ATOM 263 OE1 GLU A 24 -7.364 0.226 6.248 1.00 0.00 O ATOM 264 OE2 GLU A 24 -6.582 -1.208 4.700 1.00 0.00 O ATOM 0 H GLU A 24 -7.540 -0.897 1.193 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.066 -1.082 2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.534 0.341 2.824 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.895 1.397 3.145 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.605 0.160 4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.191 -1.371 4.226 1.00 0.00 H new ATOM 267 N VAL A 25 -9.666 1.457 0.397 1.00 0.00 N ATOM 268 CA VAL A 25 -10.346 2.344 -0.578 1.00 0.00 C ATOM 269 C VAL A 25 -11.486 1.607 -1.308 1.00 0.00 C ATOM 270 O VAL A 25 -12.599 2.124 -1.321 1.00 0.00 O ATOM 271 CB VAL A 25 -9.302 2.944 -1.537 1.00 0.00 C ATOM 272 CG1 VAL A 25 -9.934 3.811 -2.640 1.00 0.00 C ATOM 273 CG2 VAL A 25 -8.291 3.819 -0.786 1.00 0.00 C ATOM 0 H VAL A 25 -8.650 1.547 0.374 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.823 3.169 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.807 2.087 -1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.150 4.207 -3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.619 3.204 -3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.481 4.637 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.568 4.227 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.815 4.636 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.771 3.216 -0.041 1.00 0.00 H new ATOM 275 N ALA A 26 -11.251 0.350 -1.686 1.00 0.00 N ATOM 276 CA ALA A 26 -12.289 -0.520 -2.289 1.00 0.00 C ATOM 277 C ALA A 26 -13.427 -0.840 -1.304 1.00 0.00 C ATOM 278 O ALA A 26 -14.490 -0.226 -1.444 1.00 0.00 O ATOM 279 CB ALA A 26 -11.637 -1.791 -2.850 1.00 0.00 C ATOM 0 H ALA A 26 -10.342 -0.103 -1.588 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.754 0.023 -3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.403 -2.428 -3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.907 -1.519 -3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.138 -2.330 -2.045 1.00 0.00 H new ATOM 281 N ARG A 27 -13.172 -1.601 -0.245 1.00 0.00 N ATOM 282 CA ARG A 27 -14.179 -1.928 0.793 1.00 0.00 C ATOM 283 C ARG A 27 -14.910 -0.695 1.384 1.00 0.00 C ATOM 284 O ARG A 27 -16.105 -0.740 1.635 1.00 0.00 O ATOM 285 CB ARG A 27 -13.613 -2.750 1.947 1.00 0.00 C ATOM 286 CG ARG A 27 -13.135 -4.149 1.532 1.00 0.00 C ATOM 287 CD ARG A 27 -13.030 -5.104 2.726 1.00 0.00 C ATOM 288 NE ARG A 27 -12.216 -4.541 3.815 1.00 0.00 N ATOM 289 CZ ARG A 27 -10.975 -4.900 4.150 1.00 0.00 C ATOM 290 NH1 ARG A 27 -10.202 -5.587 3.322 1.00 0.00 N ATOM 291 NH2 ARG A 27 -10.416 -4.387 5.227 1.00 0.00 N ATOM 0 H ARG A 27 -12.258 -2.018 -0.069 1.00 0.00 H new ATOM 0 HA ARG A 27 -14.905 -2.527 0.244 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.779 -2.208 2.393 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -14.376 -2.851 2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -13.825 -4.564 0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.162 -4.069 1.046 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -14.029 -5.328 3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -12.593 -6.047 2.398 1.00 0.00 H new ATOM 0 HE ARG A 27 -12.644 -3.801 4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.552 -5.855 2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.257 -5.848 3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.931 -3.719 5.800 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.468 -4.658 5.488 1.00 0.00 H new ATOM 298 N LEU A 28 -14.167 0.408 1.515 1.00 0.00 N ATOM 299 CA LEU A 28 -14.636 1.749 1.905 1.00 0.00 C ATOM 300 C LEU A 28 -15.629 2.334 0.881 1.00 0.00 C ATOM 301 O LEU A 28 -16.776 2.595 1.208 1.00 0.00 O ATOM 302 CB LEU A 28 -13.398 2.631 2.133 1.00 0.00 C ATOM 303 CG LEU A 28 -13.583 4.144 1.934 1.00 0.00 C ATOM 304 CD1 LEU A 28 -14.465 4.750 3.021 1.00 0.00 C ATOM 305 CD2 LEU A 28 -12.233 4.855 1.889 1.00 0.00 C ATOM 0 H LEU A 28 -13.162 0.392 1.342 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.206 1.698 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.042 2.462 3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.610 2.293 1.460 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.085 4.287 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.573 5.821 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.447 4.278 2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.006 4.585 3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.390 5.924 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.702 4.687 2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.642 4.462 1.061 1.00 0.00 H new ATOM 307 N LYS A 29 -15.176 2.498 -0.363 1.00 0.00 N ATOM 308 CA LYS A 29 -16.029 3.023 -1.441 1.00 0.00 C ATOM 309 C LYS A 29 -17.205 2.080 -1.771 1.00 0.00 C ATOM 310 O LYS A 29 -18.262 2.562 -2.162 1.00 0.00 O ATOM 311 CB LYS A 29 -15.221 3.367 -2.693 1.00 0.00 C ATOM 312 CG LYS A 29 -14.407 4.652 -2.463 1.00 0.00 C ATOM 313 CD LYS A 29 -13.890 5.172 -3.808 1.00 0.00 C ATOM 314 CE LYS A 29 -13.200 6.541 -3.680 1.00 0.00 C ATOM 315 NZ LYS A 29 -11.807 6.386 -3.244 1.00 0.00 N ATOM 0 H LYS A 29 -14.224 2.276 -0.653 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.461 3.951 -1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.552 2.543 -2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.891 3.499 -3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.028 5.408 -1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.572 4.452 -1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.188 4.452 -4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.722 5.251 -4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.230 7.059 -4.639 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.742 7.161 -2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.287 7.269 -3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.784 6.169 -2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.362 5.610 -3.774 1.00 0.00 H new ATOM 320 N LYS A 30 -17.090 0.822 -1.385 1.00 0.00 N ATOM 321 CA LYS A 30 -18.205 -0.154 -1.419 1.00 0.00 C ATOM 322 C LYS A 30 -19.364 0.193 -0.459 1.00 0.00 C ATOM 323 O LYS A 30 -20.509 -0.179 -0.727 1.00 0.00 O ATOM 324 CB LYS A 30 -17.698 -1.577 -1.156 1.00 0.00 C ATOM 325 CG LYS A 30 -16.865 -2.128 -2.314 1.00 0.00 C ATOM 326 CD LYS A 30 -17.638 -2.179 -3.628 1.00 0.00 C ATOM 327 CE LYS A 30 -17.449 -3.513 -4.359 1.00 0.00 C ATOM 328 NZ LYS A 30 -18.031 -4.591 -3.556 1.00 0.00 N ATOM 0 H LYS A 30 -16.217 0.429 -1.033 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.616 -0.099 -2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -17.097 -1.582 -0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -18.549 -2.235 -0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.978 -1.509 -2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.520 -3.131 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -18.698 -2.022 -3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.310 -1.364 -4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.926 -3.475 -5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.389 -3.701 -4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.339 -5.362 -4.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.319 -4.950 -2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.849 -4.227 -3.027 1.00 0.00 H new ATOM 333 N LEU A 31 -19.073 1.019 0.536 1.00 0.00 N ATOM 334 CA LEU A 31 -20.063 1.533 1.504 1.00 0.00 C ATOM 335 C LEU A 31 -20.612 2.914 1.065 1.00 0.00 C ATOM 336 O LEU A 31 -21.742 3.266 1.386 1.00 0.00 O ATOM 337 CB LEU A 31 -19.423 1.698 2.898 1.00 0.00 C ATOM 338 CG LEU A 31 -18.484 0.551 3.298 1.00 0.00 C ATOM 339 CD1 LEU A 31 -17.720 0.932 4.569 1.00 0.00 C ATOM 340 CD2 LEU A 31 -19.178 -0.796 3.461 1.00 0.00 C ATOM 0 H LEU A 31 -18.128 1.364 0.706 1.00 0.00 H new ATOM 0 HA LEU A 31 -20.877 0.809 1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -18.865 2.634 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -20.215 1.780 3.642 1.00 0.00 H new ATOM 0 HG LEU A 31 -17.789 0.414 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -17.054 0.117 4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -17.134 1.832 4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -18.428 1.119 5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -18.445 -1.551 3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -19.940 -0.721 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -19.646 -1.080 2.519 1.00 0.00 H new ATOM 342 N VAL A 32 -19.810 3.648 0.291 1.00 0.00 N ATOM 343 CA VAL A 32 -20.148 4.982 -0.256 1.00 0.00 C ATOM 344 C VAL A 32 -20.500 4.906 -1.771 1.00 0.00 C ATOM 345 O VAL A 32 -20.602 5.906 -2.479 1.00 0.00 O ATOM 346 CB VAL A 32 -18.984 5.955 0.067 1.00 0.00 C ATOM 347 CG1 VAL A 32 -19.226 7.410 -0.368 1.00 0.00 C ATOM 348 CG2 VAL A 32 -18.667 5.997 1.567 1.00 0.00 C ATOM 0 H VAL A 32 -18.881 3.331 0.015 1.00 0.00 H new ATOM 0 HA VAL A 32 -21.050 5.368 0.218 1.00 0.00 H new ATOM 0 HB VAL A 32 -18.154 5.545 -0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -18.361 8.018 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -19.378 7.447 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -20.111 7.798 0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -17.846 6.691 1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -19.548 6.328 2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.381 5.001 1.906 1.00 0.00 H new ATOM 350 N GLY A 33 -20.804 3.693 -2.219 1.00 0.00 N ATOM 351 CA GLY A 33 -21.164 3.379 -3.619 1.00 0.00 C ATOM 352 C GLY A 33 -22.574 2.802 -3.732 1.00 0.00 C ATOM 353 O GLY A 33 -23.346 3.198 -4.609 1.00 0.00 O ATOM 0 H GLY A 33 -20.810 2.873 -1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -21.093 4.283 -4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.447 2.666 -4.027 1.00 0.00 H new ATOM 355 N GLU A 34 -22.927 1.955 -2.764 1.00 0.00 N ATOM 356 CA GLU A 34 -24.252 1.297 -2.692 1.00 0.00 C ATOM 357 C GLU A 34 -25.109 1.900 -1.558 1.00 0.00 C ATOM 358 O GLU A 34 -25.915 1.219 -0.924 1.00 0.00 O ATOM 359 CB GLU A 34 -24.013 -0.202 -2.481 1.00 0.00 C ATOM 360 CG GLU A 34 -23.211 -0.908 -3.596 1.00 0.00 C ATOM 361 CD GLU A 34 -24.020 -1.269 -4.843 1.00 0.00 C ATOM 362 OE1 GLU A 34 -25.222 -1.524 -4.841 1.00 0.00 O ATOM 363 OE2 GLU A 34 -23.316 -1.440 -5.984 1.00 0.00 O ATOM 0 H GLU A 34 -22.304 1.698 -1.998 1.00 0.00 H new ATOM 0 HA GLU A 34 -24.808 1.458 -3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -23.487 -0.339 -1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -24.979 -0.697 -2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -22.384 -0.263 -3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -22.775 -1.820 -3.188 1.00 0.00 H new ATOM 366 N ARG A 35 -24.948 3.212 -1.336 1.00 0.00 N ATOM 367 CA ARG A 35 -25.660 3.971 -0.275 1.00 0.00 C ATOM 368 C ARG A 35 -25.947 5.436 -0.630 1.00 0.00 C ATOM 369 O ARG A 35 -25.006 6.264 -0.510 1.00 0.00 O ATOM 370 CB ARG A 35 -24.895 3.886 1.055 1.00 0.00 C ATOM 371 CG ARG A 35 -25.760 3.290 2.165 1.00 0.00 C ATOM 372 CD ARG A 35 -25.485 1.798 2.375 1.00 0.00 C ATOM 373 NE ARG A 35 -24.263 1.623 3.172 1.00 0.00 N ATOM 374 CZ ARG A 35 -23.985 0.590 3.989 1.00 0.00 C ATOM 375 NH1 ARG A 35 -24.787 -0.455 4.093 1.00 0.00 N ATOM 376 NH2 ARG A 35 -22.956 0.662 4.811 1.00 0.00 N ATOM 377 OXT ARG A 35 -27.067 5.692 -1.111 1.00 0.00 O ATOM 0 H ARG A 35 -24.315 3.790 -1.889 1.00 0.00 H new ATOM 0 HA ARG A 35 -26.634 3.492 -0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -24.001 3.276 0.923 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -24.562 4.882 1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -25.574 3.826 3.096 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -26.812 3.433 1.919 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -26.330 1.331 2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -25.376 1.300 1.412 1.00 0.00 H new ATOM 0 HE ARG A 35 -23.557 2.355 3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -25.646 -0.495 3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -24.547 -1.222 4.722 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -22.373 1.499 4.826 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -22.743 -0.119 5.431 1.00 0.00 H new TER 384 ARG A 35