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 Set 1.1: A 2 GLN : amide:sc=-0.00272 X(o=-0.0071,f=-0.053) USER MOD Set 1.2: A 6 GLN :FLIP amide:sc= -0.0044 F(o=-2.5,f=-0.0071) USER MOD Single : A 1 LEU N :NH3+ 143:sc= -0.0931 (180deg=-1.07) USER MOD Single : A 4 MET CE :methyl -160:sc= -0.383 (180deg=-0.699) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -152:sc= -0.0885 (180deg=-0.566) USER MOD Single : A 16 SER OG : rot -170:sc= -0.152 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN :FLIP amide:sc=-0.00274 F(o=-0.65,f=-0.0027) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.181 F(o=-2.2!,f=-0.18) USER MOD Single : A 23 ASN : amide:sc= -3.89! X(o=-3.9!,f=-3.7) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -157:sc= -0.0324 (180deg=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 23.375 -0.660 4.810 1.00 0.00 N ATOM 2 CA LEU A 1 24.502 0.123 4.248 1.00 0.00 C ATOM 3 C LEU A 1 24.129 1.237 3.238 1.00 0.00 C ATOM 4 O LEU A 1 24.919 1.659 2.389 1.00 0.00 O ATOM 5 CB LEU A 1 25.567 -0.846 3.683 1.00 0.00 C ATOM 6 CG LEU A 1 25.138 -1.552 2.393 1.00 0.00 C ATOM 7 CD1 LEU A 1 26.058 -1.158 1.239 1.00 0.00 C ATOM 8 CD2 LEU A 1 25.138 -3.077 2.580 1.00 0.00 C ATOM 0 H1 LEU A 1 23.663 -1.653 4.921 1.00 0.00 H new ATOM 0 H2 LEU A 1 23.110 -0.271 5.737 1.00 0.00 H new ATOM 0 H3 LEU A 1 22.560 -0.606 4.166 1.00 0.00 H new ATOM 0 HA LEU A 1 24.910 0.693 5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 1 26.486 -0.291 3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 1 25.798 -1.598 4.438 1.00 0.00 H new ATOM 0 HG LEU A 1 24.122 -1.237 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 1 25.740 -1.668 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 1 26.009 -0.080 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 1 27.083 -1.445 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 1 24.830 -3.557 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 1 26.141 -3.411 2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 1 24.443 -3.346 3.375 1.00 0.00 H new ATOM 12 N GLN A 2 22.924 1.778 3.445 1.00 0.00 N ATOM 13 CA GLN A 2 22.300 2.833 2.605 1.00 0.00 C ATOM 14 C GLN A 2 22.059 2.264 1.193 1.00 0.00 C ATOM 15 O GLN A 2 21.950 1.047 1.030 1.00 0.00 O ATOM 16 CB GLN A 2 23.130 4.129 2.580 1.00 0.00 C ATOM 17 CG GLN A 2 23.729 4.564 3.935 1.00 0.00 C ATOM 18 CD GLN A 2 22.678 4.853 5.001 1.00 0.00 C ATOM 19 OE1 GLN A 2 22.157 5.953 5.114 1.00 0.00 O ATOM 20 NE2 GLN A 2 22.326 3.866 5.803 1.00 0.00 N ATOM 0 H GLN A 2 22.329 1.492 4.223 1.00 0.00 H new ATOM 0 HA GLN A 2 21.343 3.116 3.043 1.00 0.00 H new ATOM 0 HB2 GLN A 2 23.944 4.004 1.866 1.00 0.00 H new ATOM 0 HB3 GLN A 2 22.500 4.936 2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 2 24.396 3.781 4.296 1.00 0.00 H new ATOM 0 HG3 GLN A 2 24.337 5.456 3.785 1.00 0.00 H new ATOM 0 HE21 GLN A 2 22.763 2.949 5.706 1.00 0.00 H new ATOM 0 HE22 GLN A 2 21.617 4.020 6.520 1.00 0.00 H new ATOM 24 N ARG A 3 21.763 3.121 0.201 1.00 0.00 N ATOM 25 CA ARG A 3 21.609 2.688 -1.224 1.00 0.00 C ATOM 26 C ARG A 3 20.433 1.707 -1.345 1.00 0.00 C ATOM 27 O ARG A 3 19.517 1.806 -0.541 1.00 0.00 O ATOM 28 CB ARG A 3 22.915 2.068 -1.758 1.00 0.00 C ATOM 29 CG ARG A 3 24.179 2.927 -1.609 1.00 0.00 C ATOM 30 CD ARG A 3 24.037 4.280 -2.315 1.00 0.00 C ATOM 31 NE ARG A 3 23.751 5.308 -1.309 1.00 0.00 N ATOM 32 CZ ARG A 3 23.855 6.626 -1.519 1.00 0.00 C ATOM 33 NH1 ARG A 3 23.585 7.133 -2.705 1.00 0.00 N ATOM 34 NH2 ARG A 3 23.891 7.453 -0.490 1.00 0.00 N ATOM 0 H ARG A 3 21.623 4.121 0.346 1.00 0.00 H new ATOM 0 HA ARG A 3 21.394 3.563 -1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 3 23.081 1.121 -1.244 1.00 0.00 H new ATOM 0 HB3 ARG A 3 22.779 1.838 -2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 3 24.385 3.089 -0.551 1.00 0.00 H new ATOM 0 HG3 ARG A 3 25.033 2.390 -2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 3 24.953 4.523 -2.854 1.00 0.00 H new ATOM 0 HD3 ARG A 3 23.235 4.239 -3.052 1.00 0.00 H new ATOM 0 HE ARG A 3 23.452 4.997 -0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 3 23.295 6.521 -3.468 1.00 0.00 H new ATOM 0 HH12 ARG A 3 23.666 8.138 -2.860 1.00 0.00 H new ATOM 0 HH21 ARG A 3 23.840 7.087 0.461 1.00 0.00 H new ATOM 0 HH22 ARG A 3 23.970 8.458 -0.646 1.00 0.00 H new ATOM 41 N MET A 4 20.487 0.748 -2.268 1.00 0.00 N ATOM 42 CA MET A 4 19.484 -0.327 -2.383 1.00 0.00 C ATOM 43 C MET A 4 19.112 -0.993 -1.052 1.00 0.00 C ATOM 44 O MET A 4 17.936 -0.998 -0.742 1.00 0.00 O ATOM 45 CB MET A 4 19.911 -1.374 -3.410 1.00 0.00 C ATOM 46 CG MET A 4 18.851 -1.527 -4.512 1.00 0.00 C ATOM 47 SD MET A 4 19.060 -0.458 -5.991 1.00 0.00 S ATOM 48 CE MET A 4 18.654 1.175 -5.404 1.00 0.00 C ATOM 0 H MET A 4 21.230 0.688 -2.965 1.00 0.00 H new ATOM 0 HA MET A 4 18.576 0.167 -2.729 1.00 0.00 H new ATOM 0 HB2 MET A 4 20.864 -1.086 -3.854 1.00 0.00 H new ATOM 0 HB3 MET A 4 20.067 -2.332 -2.915 1.00 0.00 H new ATOM 0 HG2 MET A 4 18.844 -2.567 -4.839 1.00 0.00 H new ATOM 0 HG3 MET A 4 17.873 -1.323 -4.077 1.00 0.00 H new ATOM 0 HE1 MET A 4 18.402 1.814 -6.251 1.00 0.00 H new ATOM 0 HE2 MET A 4 17.801 1.117 -4.727 1.00 0.00 H new ATOM 0 HE3 MET A 4 19.509 1.594 -4.875 1.00 0.00 H new ATOM 50 N LYS A 5 20.073 -1.065 -0.139 1.00 0.00 N ATOM 51 CA LYS A 5 19.846 -1.619 1.219 1.00 0.00 C ATOM 52 C LYS A 5 18.807 -0.809 2.044 1.00 0.00 C ATOM 53 O LYS A 5 18.174 -1.356 2.932 1.00 0.00 O ATOM 54 CB LYS A 5 21.162 -1.709 1.976 1.00 0.00 C ATOM 55 CG LYS A 5 21.104 -2.795 3.046 1.00 0.00 C ATOM 56 CD LYS A 5 21.270 -4.164 2.396 1.00 0.00 C ATOM 57 CE LYS A 5 20.448 -5.216 3.129 1.00 0.00 C ATOM 58 NZ LYS A 5 20.910 -6.543 2.716 1.00 0.00 N ATOM 0 H LYS A 5 21.029 -0.748 -0.302 1.00 0.00 H new ATOM 0 HA LYS A 5 19.428 -2.617 1.083 1.00 0.00 H new ATOM 0 HB2 LYS A 5 21.973 -1.923 1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 5 21.385 -0.748 2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 5 21.890 -2.634 3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 5 20.153 -2.746 3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 5 20.959 -4.116 1.352 1.00 0.00 H new ATOM 0 HD3 LYS A 5 22.322 -4.449 2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 5 20.556 -5.097 4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 5 19.389 -5.096 2.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.357 -7.272 3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.786 -6.650 1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 21.916 -6.650 2.956 1.00 0.00 H new ATOM 63 N GLN A 6 18.733 0.494 1.809 1.00 0.00 N ATOM 64 CA GLN A 6 17.688 1.370 2.377 1.00 0.00 C ATOM 65 C GLN A 6 16.552 1.722 1.399 1.00 0.00 C ATOM 66 O GLN A 6 15.378 1.730 1.759 1.00 0.00 O ATOM 67 CB GLN A 6 18.243 2.666 2.967 1.00 0.00 C ATOM 68 CG GLN A 6 18.439 2.537 4.474 1.00 0.00 C ATOM 69 CD GLN A 6 18.473 3.936 5.106 1.00 0.00 C ATOM 70 OE1 GLN A 6 19.594 4.589 5.022 1.00 0.00 O flip ATOM 71 NE2 GLN A 6 17.511 4.439 5.659 1.00 0.00 N flip ATOM 0 H GLN A 6 19.398 0.988 1.214 1.00 0.00 H new ATOM 0 HA GLN A 6 17.268 0.760 3.177 1.00 0.00 H new ATOM 0 HB2 GLN A 6 19.193 2.909 2.492 1.00 0.00 H new ATOM 0 HB3 GLN A 6 17.561 3.489 2.754 1.00 0.00 H new ATOM 0 HG2 GLN A 6 17.630 1.950 4.908 1.00 0.00 H new ATOM 0 HG3 GLN A 6 19.367 2.007 4.687 1.00 0.00 H new ATOM 0 HE21 GLN A 6 16.633 3.924 5.723 1.00 0.00 H new ATOM 0 HE22 GLN A 6 17.584 5.375 6.058 1.00 0.00 H new ATOM 75 N LEU A 7 16.920 1.916 0.145 1.00 0.00 N ATOM 76 CA LEU A 7 15.958 2.187 -0.948 1.00 0.00 C ATOM 77 C LEU A 7 14.974 1.018 -1.146 1.00 0.00 C ATOM 78 O LEU A 7 13.796 1.279 -1.341 1.00 0.00 O ATOM 79 CB LEU A 7 16.660 2.552 -2.261 1.00 0.00 C ATOM 80 CG LEU A 7 17.550 3.792 -2.090 1.00 0.00 C ATOM 81 CD1 LEU A 7 18.412 4.020 -3.319 1.00 0.00 C ATOM 82 CD2 LEU A 7 16.735 5.065 -1.808 1.00 0.00 C ATOM 0 H LEU A 7 17.893 1.893 -0.161 1.00 0.00 H new ATOM 0 HA LEU A 7 15.378 3.058 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 7 17.265 1.711 -2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 7 15.915 2.740 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 7 18.184 3.592 -1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 7 19.032 4.904 -3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 7 19.051 3.152 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.773 4.167 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 7 17.411 5.912 -1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 7 16.054 5.252 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 7 16.161 4.934 -0.890 1.00 0.00 H new ATOM 84 N GLU A 8 15.394 -0.213 -0.856 1.00 0.00 N ATOM 85 CA GLU A 8 14.514 -1.400 -0.849 1.00 0.00 C ATOM 86 C GLU A 8 13.393 -1.295 0.203 1.00 0.00 C ATOM 87 O GLU A 8 12.246 -1.474 -0.157 1.00 0.00 O ATOM 88 CB GLU A 8 15.288 -2.695 -0.640 1.00 0.00 C ATOM 89 CG GLU A 8 16.021 -3.121 -1.928 1.00 0.00 C ATOM 90 CD GLU A 8 17.161 -4.109 -1.688 1.00 0.00 C ATOM 91 OE1 GLU A 8 17.576 -4.846 -2.572 1.00 0.00 O ATOM 92 OE2 GLU A 8 17.823 -4.047 -0.502 1.00 0.00 O ATOM 0 H GLU A 8 16.362 -0.425 -0.616 1.00 0.00 H new ATOM 0 HA GLU A 8 14.057 -1.426 -1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.010 -2.564 0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.604 -3.485 -0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.302 -3.569 -2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.419 -2.233 -2.420 1.00 0.00 H new ATOM 95 N ASP A 9 13.717 -0.784 1.385 1.00 0.00 N ATOM 96 CA ASP A 9 12.722 -0.519 2.460 1.00 0.00 C ATOM 97 C ASP A 9 11.841 0.722 2.190 1.00 0.00 C ATOM 98 O ASP A 9 10.694 0.735 2.616 1.00 0.00 O ATOM 99 CB ASP A 9 13.313 -0.476 3.877 1.00 0.00 C ATOM 100 CG ASP A 9 14.793 -0.106 3.981 1.00 0.00 C ATOM 101 OD1 ASP A 9 15.203 0.878 4.577 1.00 0.00 O ATOM 102 OD2 ASP A 9 15.618 -0.929 3.304 1.00 0.00 O ATOM 0 H ASP A 9 14.672 -0.536 1.642 1.00 0.00 H new ATOM 0 HA ASP A 9 12.074 -1.395 2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.739 0.239 4.466 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.171 -1.454 4.337 1.00 0.00 H new ATOM 105 N LYS A 10 12.361 1.670 1.427 1.00 0.00 N ATOM 106 CA LYS A 10 11.603 2.856 0.968 1.00 0.00 C ATOM 107 C LYS A 10 10.671 2.522 -0.234 1.00 0.00 C ATOM 108 O LYS A 10 9.478 2.799 -0.192 1.00 0.00 O ATOM 109 CB LYS A 10 12.602 3.973 0.658 1.00 0.00 C ATOM 110 CG LYS A 10 11.920 5.241 0.146 1.00 0.00 C ATOM 111 CD LYS A 10 12.928 6.363 -0.083 1.00 0.00 C ATOM 112 CE LYS A 10 12.363 7.407 -1.058 1.00 0.00 C ATOM 113 NZ LYS A 10 12.305 6.811 -2.406 1.00 0.00 N ATOM 0 H LYS A 10 13.327 1.652 1.099 1.00 0.00 H new ATOM 0 HA LYS A 10 10.931 3.195 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.171 4.208 1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 10 13.316 3.622 -0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.398 5.024 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.168 5.567 0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.172 6.839 0.867 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.855 5.951 -0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 10 11.369 7.722 -0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 10 12.992 8.297 -1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 12.393 7.561 -3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 13.084 6.131 -2.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.397 6.320 -2.530 1.00 0.00 H new ATOM 118 N VAL A 11 11.227 1.860 -1.233 1.00 0.00 N ATOM 119 CA VAL A 11 10.528 1.411 -2.466 1.00 0.00 C ATOM 120 C VAL A 11 9.526 0.280 -2.184 1.00 0.00 C ATOM 121 O VAL A 11 8.370 0.377 -2.577 1.00 0.00 O ATOM 122 CB VAL A 11 11.558 1.051 -3.564 1.00 0.00 C ATOM 123 CG1 VAL A 11 10.963 0.337 -4.788 1.00 0.00 C ATOM 124 CG2 VAL A 11 12.252 2.319 -4.064 1.00 0.00 C ATOM 0 H VAL A 11 12.214 1.601 -1.226 1.00 0.00 H new ATOM 0 HA VAL A 11 9.927 2.239 -2.843 1.00 0.00 H new ATOM 0 HB VAL A 11 12.251 0.360 -3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.755 0.123 -5.505 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.497 -0.597 -4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.214 0.977 -5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.975 2.057 -4.836 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.509 3.001 -4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.767 2.803 -3.234 1.00 0.00 H new ATOM 126 N GLU A 12 9.965 -0.772 -1.498 1.00 0.00 N ATOM 127 CA GLU A 12 9.050 -1.872 -1.090 1.00 0.00 C ATOM 128 C GLU A 12 7.941 -1.315 -0.178 1.00 0.00 C ATOM 129 O GLU A 12 6.788 -1.649 -0.429 1.00 0.00 O ATOM 130 CB GLU A 12 9.793 -3.007 -0.400 1.00 0.00 C ATOM 131 CG GLU A 12 8.929 -4.240 -0.088 1.00 0.00 C ATOM 132 CD GLU A 12 9.634 -5.080 0.971 1.00 0.00 C ATOM 133 OE1 GLU A 12 10.231 -6.123 0.713 1.00 0.00 O ATOM 134 OE2 GLU A 12 9.591 -4.594 2.224 1.00 0.00 O ATOM 0 H GLU A 12 10.935 -0.900 -1.208 1.00 0.00 H new ATOM 0 HA GLU A 12 8.602 -2.288 -1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.627 -3.314 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.218 -2.632 0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.946 -3.932 0.268 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.770 -4.828 -0.992 1.00 0.00 H new ATOM 137 N GLU A 13 8.266 -0.312 0.645 1.00 0.00 N ATOM 138 CA GLU A 13 7.260 0.413 1.456 1.00 0.00 C ATOM 139 C GLU A 13 6.127 0.944 0.558 1.00 0.00 C ATOM 140 O GLU A 13 4.982 0.664 0.872 1.00 0.00 O ATOM 141 CB GLU A 13 7.851 1.591 2.241 1.00 0.00 C ATOM 142 CG GLU A 13 6.855 2.218 3.219 1.00 0.00 C ATOM 143 CD GLU A 13 7.479 3.404 3.949 1.00 0.00 C ATOM 144 OE1 GLU A 13 7.170 4.574 3.711 1.00 0.00 O ATOM 145 OE2 GLU A 13 8.367 3.122 4.918 1.00 0.00 O ATOM 0 H GLU A 13 9.221 0.023 0.773 1.00 0.00 H new ATOM 0 HA GLU A 13 6.878 -0.312 2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.727 1.250 2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.192 2.353 1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.966 2.545 2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.531 1.470 3.943 1.00 0.00 H new ATOM 148 N LEU A 14 6.450 1.416 -0.643 1.00 0.00 N ATOM 149 CA LEU A 14 5.455 1.984 -1.572 1.00 0.00 C ATOM 150 C LEU A 14 4.440 0.912 -2.015 1.00 0.00 C ATOM 151 O LEU A 14 3.263 1.035 -1.699 1.00 0.00 O ATOM 152 CB LEU A 14 6.078 2.606 -2.826 1.00 0.00 C ATOM 153 CG LEU A 14 7.204 3.605 -2.543 1.00 0.00 C ATOM 154 CD1 LEU A 14 7.716 4.145 -3.872 1.00 0.00 C ATOM 155 CD2 LEU A 14 6.799 4.747 -1.618 1.00 0.00 C ATOM 0 H LEU A 14 7.403 1.419 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 14 4.958 2.777 -1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.467 1.808 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.296 3.110 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 14 7.991 3.071 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.519 4.859 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.093 3.321 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.902 4.642 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.650 5.411 -1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.978 5.306 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.479 4.342 -0.658 1.00 0.00 H new ATOM 157 N LEU A 15 4.927 -0.155 -2.629 1.00 0.00 N ATOM 158 CA LEU A 15 4.084 -1.274 -3.087 1.00 0.00 C ATOM 159 C LEU A 15 3.330 -1.918 -1.903 1.00 0.00 C ATOM 160 O LEU A 15 2.109 -1.870 -1.900 1.00 0.00 O ATOM 161 CB LEU A 15 4.890 -2.345 -3.836 1.00 0.00 C ATOM 162 CG LEU A 15 5.878 -1.791 -4.874 1.00 0.00 C ATOM 163 CD1 LEU A 15 6.465 -2.962 -5.659 1.00 0.00 C ATOM 164 CD2 LEU A 15 5.275 -0.771 -5.853 1.00 0.00 C ATOM 0 H LEU A 15 5.919 -0.280 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 15 3.362 -0.852 -3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.443 -2.940 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.196 -3.019 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 15 6.641 -1.247 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.169 -2.586 -6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.983 -3.635 -4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.662 -3.502 -6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.044 -0.435 -6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.462 -1.237 -6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.890 0.084 -5.297 1.00 0.00 H new ATOM 166 N SER A 16 4.052 -2.277 -0.853 1.00 0.00 N ATOM 167 CA SER A 16 3.492 -2.813 0.406 1.00 0.00 C ATOM 168 C SER A 16 2.407 -1.903 1.043 1.00 0.00 C ATOM 169 O SER A 16 1.414 -2.405 1.557 1.00 0.00 O ATOM 170 CB SER A 16 4.604 -3.074 1.426 1.00 0.00 C ATOM 171 OG SER A 16 5.577 -3.970 0.865 1.00 0.00 O ATOM 0 H SER A 16 5.070 -2.207 -0.839 1.00 0.00 H new ATOM 0 HA SER A 16 3.003 -3.749 0.136 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.080 -2.135 1.707 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.183 -3.503 2.335 1.00 0.00 H new ATOM 0 HG SER A 16 6.198 -4.259 1.566 1.00 0.00 H new ATOM 174 N LYS A 17 2.563 -0.599 0.873 1.00 0.00 N ATOM 175 CA LYS A 17 1.600 0.443 1.293 1.00 0.00 C ATOM 176 C LYS A 17 0.405 0.548 0.321 1.00 0.00 C ATOM 177 O LYS A 17 -0.733 0.485 0.749 1.00 0.00 O ATOM 178 CB LYS A 17 2.311 1.796 1.413 1.00 0.00 C ATOM 179 CG LYS A 17 1.440 3.001 1.812 1.00 0.00 C ATOM 180 CD LYS A 17 0.761 2.862 3.178 1.00 0.00 C ATOM 181 CE LYS A 17 1.748 2.795 4.349 1.00 0.00 C ATOM 182 NZ LYS A 17 0.990 2.561 5.578 1.00 0.00 N ATOM 0 H LYS A 17 3.391 -0.208 0.423 1.00 0.00 H new ATOM 0 HA LYS A 17 1.203 0.156 2.267 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.111 1.696 2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.782 2.019 0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.060 3.897 1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.673 3.148 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.089 3.707 3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.147 1.962 3.179 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.471 1.994 4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.313 3.724 4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.644 2.512 6.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.317 3.340 5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.470 1.664 5.499 1.00 0.00 H new ATOM 187 N ASN A 18 0.689 0.714 -0.964 1.00 0.00 N ATOM 188 CA ASN A 18 -0.349 0.809 -2.017 1.00 0.00 C ATOM 189 C ASN A 18 -1.222 -0.456 -2.071 1.00 0.00 C ATOM 190 O ASN A 18 -2.451 -0.355 -2.151 1.00 0.00 O ATOM 191 CB ASN A 18 0.292 1.077 -3.375 1.00 0.00 C ATOM 192 CG ASN A 18 -0.704 1.738 -4.345 1.00 0.00 C ATOM 193 OD1 ASN A 18 -1.749 1.035 -4.716 1.00 0.00 O flip ATOM 194 ND2 ASN A 18 -0.573 2.896 -4.713 1.00 0.00 N flip ATOM 0 H ASN A 18 1.642 0.788 -1.320 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.000 1.646 -1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.161 1.722 -3.248 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.650 0.140 -3.801 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.242 3.435 -4.420 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.279 3.323 -5.313 1.00 0.00 H new ATOM 198 N TYR A 19 -0.597 -1.620 -1.905 1.00 0.00 N ATOM 199 CA TYR A 19 -1.288 -2.912 -1.733 1.00 0.00 C ATOM 200 C TYR A 19 -2.260 -2.915 -0.525 1.00 0.00 C ATOM 201 O TYR A 19 -3.406 -3.338 -0.632 1.00 0.00 O ATOM 202 CB TYR A 19 -0.289 -4.070 -1.648 1.00 0.00 C ATOM 203 CG TYR A 19 0.419 -4.406 -2.978 1.00 0.00 C ATOM 204 CD1 TYR A 19 -0.294 -4.407 -4.193 1.00 0.00 C ATOM 205 CD2 TYR A 19 1.793 -4.770 -2.934 1.00 0.00 C ATOM 206 CE1 TYR A 19 0.360 -4.763 -5.394 1.00 0.00 C ATOM 207 CE2 TYR A 19 2.451 -5.125 -4.125 1.00 0.00 C ATOM 208 CZ TYR A 19 1.727 -5.108 -5.340 1.00 0.00 C ATOM 209 OH TYR A 19 2.378 -5.373 -6.506 1.00 0.00 O ATOM 0 H TYR A 19 0.420 -1.701 -1.885 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.900 -3.058 -2.623 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.466 -3.827 -0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.812 -4.959 -1.295 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.339 -4.136 -4.207 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.326 -4.774 -1.995 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.175 -4.771 -6.332 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.494 -5.406 -4.112 1.00 0.00 H new ATOM 0 HH TYR A 19 3.313 -5.595 -6.315 1.00 0.00 H new ATOM 212 N HIS A 20 -1.858 -2.168 0.508 1.00 0.00 N ATOM 213 CA HIS A 20 -2.641 -1.879 1.722 1.00 0.00 C ATOM 214 C HIS A 20 -3.531 -0.596 1.629 1.00 0.00 C ATOM 215 O HIS A 20 -4.277 -0.261 2.543 1.00 0.00 O ATOM 216 CB HIS A 20 -1.615 -1.886 2.868 1.00 0.00 C ATOM 217 CG HIS A 20 -1.900 -0.998 4.074 1.00 0.00 C ATOM 218 ND1 HIS A 20 -1.686 0.320 4.107 1.00 0.00 N flip ATOM 219 CD2 HIS A 20 -2.597 -1.314 5.161 1.00 0.00 C flip ATOM 220 CE1 HIS A 20 -2.317 0.807 5.177 1.00 0.00 C flip ATOM 221 NE2 HIS A 20 -2.860 -0.203 5.831 1.00 0.00 N flip ATOM 0 H HIS A 20 -0.938 -1.727 0.525 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.409 -2.634 1.891 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.514 -2.912 3.222 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.649 -1.594 2.456 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.898 -2.310 5.449 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.374 1.848 5.459 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.390 -0.139 6.700 1.00 0.00 H new ATOM 225 N LEU A 21 -3.564 0.023 0.450 1.00 0.00 N ATOM 226 CA LEU A 21 -4.385 1.218 0.170 1.00 0.00 C ATOM 227 C LEU A 21 -5.573 0.881 -0.744 1.00 0.00 C ATOM 228 O LEU A 21 -6.710 1.241 -0.437 1.00 0.00 O ATOM 229 CB LEU A 21 -3.466 2.308 -0.409 1.00 0.00 C ATOM 230 CG LEU A 21 -4.185 3.516 -1.003 1.00 0.00 C ATOM 231 CD1 LEU A 21 -4.919 4.352 0.060 1.00 0.00 C ATOM 232 CD2 LEU A 21 -3.175 4.379 -1.769 1.00 0.00 C ATOM 0 H LEU A 21 -3.018 -0.289 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.832 1.595 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.798 2.654 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.841 1.861 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.951 3.147 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.412 5.198 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.664 3.733 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.201 4.719 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.684 5.243 -2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.395 4.717 -1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.727 3.791 -2.570 1.00 0.00 H new ATOM 234 N GLU A 22 -5.306 0.076 -1.769 1.00 0.00 N ATOM 235 CA GLU A 22 -6.361 -0.425 -2.693 1.00 0.00 C ATOM 236 C GLU A 22 -7.463 -1.227 -1.963 1.00 0.00 C ATOM 237 O GLU A 22 -8.636 -1.081 -2.275 1.00 0.00 O ATOM 238 CB GLU A 22 -5.713 -1.220 -3.834 1.00 0.00 C ATOM 239 CG GLU A 22 -5.149 -2.584 -3.403 1.00 0.00 C ATOM 240 CD GLU A 22 -3.978 -3.055 -4.256 1.00 0.00 C ATOM 241 OE1 GLU A 22 -3.866 -4.210 -4.654 1.00 0.00 O ATOM 242 OE2 GLU A 22 -2.976 -2.172 -4.487 1.00 0.00 O ATOM 0 H GLU A 22 -4.368 -0.254 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.875 0.436 -3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.452 -1.376 -4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.908 -0.625 -4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.829 -2.524 -2.363 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.944 -3.328 -3.449 1.00 0.00 H new ATOM 245 N ASN A 23 -7.058 -1.934 -0.888 1.00 0.00 N ATOM 246 CA ASN A 23 -8.000 -2.707 -0.045 1.00 0.00 C ATOM 247 C ASN A 23 -8.996 -1.765 0.665 1.00 0.00 C ATOM 248 O ASN A 23 -10.202 -1.967 0.617 1.00 0.00 O ATOM 249 CB ASN A 23 -7.277 -3.606 0.977 1.00 0.00 C ATOM 250 CG ASN A 23 -6.860 -2.919 2.296 1.00 0.00 C ATOM 251 OD1 ASN A 23 -7.650 -2.542 3.141 1.00 0.00 O ATOM 252 ND2 ASN A 23 -5.606 -2.722 2.500 1.00 0.00 N ATOM 0 H ASN A 23 -6.087 -1.987 -0.582 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.554 -3.368 -0.712 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.927 -4.448 1.217 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.385 -4.017 0.505 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.295 -2.260 3.354 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.922 -3.028 1.808 1.00 0.00 H new ATOM 256 N GLU A 24 -8.440 -0.646 1.130 1.00 0.00 N ATOM 257 CA GLU A 24 -9.176 0.339 1.917 1.00 0.00 C ATOM 258 C GLU A 24 -10.158 1.103 1.029 1.00 0.00 C ATOM 259 O GLU A 24 -11.330 0.971 1.289 1.00 0.00 O ATOM 260 CB GLU A 24 -8.189 1.243 2.651 1.00 0.00 C ATOM 261 CG GLU A 24 -8.831 1.808 3.912 1.00 0.00 C ATOM 262 CD GLU A 24 -7.774 1.995 4.998 1.00 0.00 C ATOM 263 OE1 GLU A 24 -7.846 1.441 6.090 1.00 0.00 O ATOM 264 OE2 GLU A 24 -6.713 2.762 4.685 1.00 0.00 O ATOM 0 H GLU A 24 -7.464 -0.398 0.970 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.780 -0.157 2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.293 0.680 2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.875 2.057 1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.309 2.762 3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.612 1.135 4.265 1.00 0.00 H new ATOM 267 N VAL A 25 -9.693 1.616 -0.108 1.00 0.00 N ATOM 268 CA VAL A 25 -10.557 2.194 -1.179 1.00 0.00 C ATOM 269 C VAL A 25 -11.807 1.318 -1.458 1.00 0.00 C ATOM 270 O VAL A 25 -12.920 1.831 -1.447 1.00 0.00 O ATOM 271 CB VAL A 25 -9.725 2.485 -2.444 1.00 0.00 C ATOM 272 CG1 VAL A 25 -10.558 3.093 -3.573 1.00 0.00 C ATOM 273 CG2 VAL A 25 -8.567 3.446 -2.142 1.00 0.00 C ATOM 0 H VAL A 25 -8.698 1.651 -0.331 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.948 3.148 -0.826 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.343 1.517 -2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.920 3.277 -4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.355 2.402 -3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.994 4.034 -3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.000 3.631 -3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.965 4.388 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.912 3.003 -1.392 1.00 0.00 H new ATOM 275 N ALA A 26 -11.598 0.003 -1.468 1.00 0.00 N ATOM 276 CA ALA A 26 -12.678 -1.003 -1.604 1.00 0.00 C ATOM 277 C ALA A 26 -13.604 -1.059 -0.368 1.00 0.00 C ATOM 278 O ALA A 26 -14.754 -0.640 -0.454 1.00 0.00 O ATOM 279 CB ALA A 26 -12.081 -2.375 -1.944 1.00 0.00 C ATOM 0 H ALA A 26 -10.669 -0.410 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.318 -0.693 -2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.883 -3.107 -2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.532 -2.310 -2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.403 -2.684 -1.149 1.00 0.00 H new ATOM 281 N ARG A 27 -13.074 -1.454 0.795 1.00 0.00 N ATOM 282 CA ARG A 27 -13.824 -1.437 2.076 1.00 0.00 C ATOM 283 C ARG A 27 -14.457 -0.075 2.462 1.00 0.00 C ATOM 284 O ARG A 27 -15.460 -0.005 3.172 1.00 0.00 O ATOM 285 CB ARG A 27 -12.981 -1.979 3.232 1.00 0.00 C ATOM 286 CG ARG A 27 -13.214 -3.483 3.405 1.00 0.00 C ATOM 287 CD ARG A 27 -12.695 -3.989 4.756 1.00 0.00 C ATOM 288 NE ARG A 27 -11.339 -4.565 4.668 1.00 0.00 N ATOM 289 CZ ARG A 27 -10.177 -3.921 4.745 1.00 0.00 C ATOM 290 NH1 ARG A 27 -10.092 -2.600 4.830 1.00 0.00 N ATOM 291 NH2 ARG A 27 -9.048 -4.600 4.710 1.00 0.00 N ATOM 0 H ARG A 27 -12.117 -1.795 0.885 1.00 0.00 H new ATOM 0 HA ARG A 27 -14.667 -2.104 1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.925 -1.788 3.041 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -13.238 -1.457 4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -14.279 -3.697 3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.716 -4.023 2.599 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.689 -3.165 5.470 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.380 -4.742 5.144 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.286 -5.575 4.532 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.940 -2.034 4.838 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.178 -2.150 4.887 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.066 -5.616 4.624 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.156 -4.109 4.769 1.00 0.00 H new ATOM 298 N LEU A 28 -13.847 1.001 1.987 1.00 0.00 N ATOM 299 CA LEU A 28 -14.359 2.389 2.038 1.00 0.00 C ATOM 300 C LEU A 28 -15.632 2.529 1.192 1.00 0.00 C ATOM 301 O LEU A 28 -16.703 2.790 1.734 1.00 0.00 O ATOM 302 CB LEU A 28 -13.209 3.292 1.551 1.00 0.00 C ATOM 303 CG LEU A 28 -13.640 4.668 1.042 1.00 0.00 C ATOM 304 CD1 LEU A 28 -13.978 5.606 2.202 1.00 0.00 C ATOM 305 CD2 LEU A 28 -12.543 5.289 0.169 1.00 0.00 C ATOM 0 H LEU A 28 -12.937 0.942 1.531 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.653 2.680 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.503 3.429 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.675 2.777 0.753 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.537 4.531 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.281 6.576 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.793 5.181 2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.101 5.730 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.869 6.268 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.631 5.400 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.349 4.642 -0.686 1.00 0.00 H new ATOM 307 N LYS A 29 -15.526 2.257 -0.105 1.00 0.00 N ATOM 308 CA LYS A 29 -16.705 2.337 -0.991 1.00 0.00 C ATOM 309 C LYS A 29 -17.826 1.333 -0.632 1.00 0.00 C ATOM 310 O LYS A 29 -18.977 1.539 -1.006 1.00 0.00 O ATOM 311 CB LYS A 29 -16.369 2.404 -2.487 1.00 0.00 C ATOM 312 CG LYS A 29 -15.709 1.175 -3.134 1.00 0.00 C ATOM 313 CD LYS A 29 -16.626 -0.046 -3.118 1.00 0.00 C ATOM 314 CE LYS A 29 -16.101 -1.266 -3.884 1.00 0.00 C ATOM 315 NZ LYS A 29 -16.735 -2.450 -3.303 1.00 0.00 N ATOM 0 H LYS A 29 -14.659 1.984 -0.568 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.139 3.314 -0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.293 2.611 -3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.710 3.258 -2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.437 1.410 -4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.785 0.940 -2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.801 -0.335 -2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -17.591 0.239 -3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.338 -1.185 -4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.016 -1.333 -3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.402 -3.301 -3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.487 -2.517 -2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -17.768 -2.374 -3.401 1.00 0.00 H new ATOM 320 N LYS A 30 -17.481 0.282 0.127 1.00 0.00 N ATOM 321 CA LYS A 30 -18.461 -0.681 0.657 1.00 0.00 C ATOM 322 C LYS A 30 -19.580 0.034 1.454 1.00 0.00 C ATOM 323 O LYS A 30 -20.751 -0.346 1.379 1.00 0.00 O ATOM 324 CB LYS A 30 -17.735 -1.790 1.454 1.00 0.00 C ATOM 325 CG LYS A 30 -17.960 -1.813 2.980 1.00 0.00 C ATOM 326 CD LYS A 30 -17.014 -2.765 3.726 1.00 0.00 C ATOM 327 CE LYS A 30 -17.644 -4.124 4.052 1.00 0.00 C ATOM 328 NZ LYS A 30 -18.710 -3.951 5.040 1.00 0.00 N ATOM 0 H LYS A 30 -16.518 0.075 0.391 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.971 -1.174 -0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -18.043 -2.755 1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -16.665 -1.695 1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -17.832 -0.805 3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -18.990 -2.105 3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.121 -2.923 3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.692 -2.291 4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.046 -4.576 3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.885 -4.804 4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.867 -4.848 5.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.435 -3.216 5.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -19.587 -3.666 4.559 1.00 0.00 H new ATOM 333 N LEU A 31 -19.199 1.129 2.110 1.00 0.00 N ATOM 334 CA LEU A 31 -20.097 2.002 2.888 1.00 0.00 C ATOM 335 C LEU A 31 -20.849 2.966 1.947 1.00 0.00 C ATOM 336 O LEU A 31 -22.062 3.090 2.071 1.00 0.00 O ATOM 337 CB LEU A 31 -19.299 2.828 3.904 1.00 0.00 C ATOM 338 CG LEU A 31 -18.154 2.045 4.571 1.00 0.00 C ATOM 339 CD1 LEU A 31 -17.078 3.038 5.011 1.00 0.00 C ATOM 340 CD2 LEU A 31 -18.608 1.198 5.752 1.00 0.00 C ATOM 0 H LEU A 31 -18.230 1.448 2.119 1.00 0.00 H new ATOM 0 HA LEU A 31 -20.810 1.368 3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -18.886 3.704 3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -19.977 3.192 4.676 1.00 0.00 H new ATOM 0 HG LEU A 31 -17.760 1.343 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -16.258 2.499 5.486 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -16.702 3.577 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -17.505 3.747 5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -17.751 0.673 6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -19.050 1.841 6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -19.348 0.472 5.416 1.00 0.00 H new ATOM 342 N VAL A 32 -20.179 3.418 0.874 1.00 0.00 N ATOM 343 CA VAL A 32 -20.748 4.317 -0.167 1.00 0.00 C ATOM 344 C VAL A 32 -21.991 3.702 -0.856 1.00 0.00 C ATOM 345 O VAL A 32 -22.906 4.440 -1.214 1.00 0.00 O ATOM 346 CB VAL A 32 -19.639 4.758 -1.146 1.00 0.00 C ATOM 347 CG1 VAL A 32 -20.120 5.393 -2.460 1.00 0.00 C ATOM 348 CG2 VAL A 32 -18.720 5.762 -0.453 1.00 0.00 C ATOM 0 H VAL A 32 -19.206 3.169 0.694 1.00 0.00 H new ATOM 0 HA VAL A 32 -21.124 5.221 0.313 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.132 3.833 -1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -19.258 5.664 -3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -20.739 4.680 -3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -20.704 6.287 -2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -17.936 6.074 -1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -19.299 6.632 -0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.268 5.297 0.423 1.00 0.00 H new ATOM 350 N GLY A 33 -22.060 2.368 -0.868 1.00 0.00 N ATOM 351 CA GLY A 33 -23.207 1.589 -1.372 1.00 0.00 C ATOM 352 C GLY A 33 -24.547 1.980 -0.694 1.00 0.00 C ATOM 353 O GLY A 33 -25.584 1.983 -1.342 1.00 0.00 O ATOM 0 H GLY A 33 -21.303 1.780 -0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.294 1.735 -2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -23.019 0.528 -1.209 1.00 0.00 H new ATOM 355 N GLU A 34 -24.476 2.290 0.602 1.00 0.00 N ATOM 356 CA GLU A 34 -25.663 2.715 1.384 1.00 0.00 C ATOM 357 C GLU A 34 -25.337 3.814 2.422 1.00 0.00 C ATOM 358 O GLU A 34 -26.009 3.948 3.450 1.00 0.00 O ATOM 359 CB GLU A 34 -26.250 1.455 2.051 1.00 0.00 C ATOM 360 CG GLU A 34 -27.758 1.621 2.273 1.00 0.00 C ATOM 361 CD GLU A 34 -28.183 1.463 3.731 1.00 0.00 C ATOM 362 OE1 GLU A 34 -27.472 1.754 4.693 1.00 0.00 O ATOM 363 OE2 GLU A 34 -29.417 0.964 3.938 1.00 0.00 O ATOM 0 H GLU A 34 -23.612 2.258 1.143 1.00 0.00 H new ATOM 0 HA GLU A 34 -26.393 3.171 0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -26.062 0.583 1.425 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -25.753 1.276 3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -28.062 2.606 1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -28.289 0.887 1.667 1.00 0.00 H new ATOM 366 N ARG A 35 -24.372 4.663 2.092 1.00 0.00 N ATOM 367 CA ARG A 35 -23.843 5.733 2.985 1.00 0.00 C ATOM 368 C ARG A 35 -23.627 5.277 4.456 1.00 0.00 C ATOM 369 O ARG A 35 -22.543 4.689 4.695 1.00 0.00 O ATOM 370 CB ARG A 35 -24.744 6.963 2.852 1.00 0.00 C ATOM 371 CG ARG A 35 -24.111 8.190 3.518 1.00 0.00 C ATOM 372 CD ARG A 35 -25.143 8.946 4.341 1.00 0.00 C ATOM 373 NE ARG A 35 -24.608 10.171 4.985 1.00 0.00 N ATOM 374 CZ ARG A 35 -23.666 10.970 4.480 1.00 0.00 C ATOM 375 NH1 ARG A 35 -22.385 10.690 4.656 1.00 0.00 N ATOM 376 NH2 ARG A 35 -24.003 11.919 3.632 1.00 0.00 N ATOM 377 OXT ARG A 35 -24.484 5.554 5.322 1.00 0.00 O ATOM 0 H ARG A 35 -23.913 4.642 1.181 1.00 0.00 H new ATOM 0 HA ARG A 35 -22.836 5.993 2.660 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -24.925 7.172 1.798 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -25.713 6.758 3.308 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -23.286 7.878 4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -23.692 8.848 2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -25.979 9.220 3.697 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -25.537 8.283 5.111 1.00 0.00 H new ATOM 0 HE ARG A 35 -24.994 10.425 5.894 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -22.112 9.859 5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -21.670 11.305 4.267 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -24.980 12.040 3.364 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -23.287 12.533 3.243 1.00 0.00 H new TER 384 ARG A 35