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 :FLIP amide:sc= -0.0169 X(o=-0.12,f=-0.027) USER MOD Set 1.2: A 6 GLN :FLIP amide:sc=-0.00981 F(o=-0.82,f=-0.027) USER MOD Single : A 1 LEU N :NH3+ -116:sc= 0.0287 (180deg=0) USER MOD Single : A 4 MET CE :methyl -177:sc= -1.55 (180deg=-1.56) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000945) USER MOD Single : A 16 SER OG : rot 75:sc= 0.576 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0235 X(o=-0.023,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -1.13 F(o=-2.1,f=-1.1) USER MOD Single : A 23 ASN : amide:sc=-0.00972 X(o=-0.0097,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= -0.0116 (180deg=-0.175) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 27.935 4.664 4.037 1.00 0.00 N ATOM 2 CA LEU A 1 26.990 5.183 3.019 1.00 0.00 C ATOM 3 C LEU A 1 25.511 4.810 3.287 1.00 0.00 C ATOM 4 O LEU A 1 25.209 4.039 4.209 1.00 0.00 O ATOM 5 CB LEU A 1 27.459 4.746 1.623 1.00 0.00 C ATOM 6 CG LEU A 1 27.235 3.264 1.314 1.00 0.00 C ATOM 7 CD1 LEU A 1 26.053 3.090 0.352 1.00 0.00 C ATOM 8 CD2 LEU A 1 28.498 2.634 0.727 1.00 0.00 C ATOM 0 H1 LEU A 1 28.383 5.461 4.533 1.00 0.00 H new ATOM 0 H2 LEU A 1 27.419 4.076 4.722 1.00 0.00 H new ATOM 0 H3 LEU A 1 28.667 4.091 3.571 1.00 0.00 H new ATOM 0 HA LEU A 1 27.005 6.271 3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 1 26.938 5.343 0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 1 28.522 4.968 1.524 1.00 0.00 H new ATOM 0 HG LEU A 1 27.002 2.753 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 1 25.907 2.030 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 1 25.150 3.497 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 1 26.260 3.619 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 1 28.315 1.581 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 1 28.766 3.148 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 1 29.315 2.723 1.442 1.00 0.00 H new ATOM 12 N GLN A 2 24.611 5.366 2.476 1.00 0.00 N ATOM 13 CA GLN A 2 23.151 5.138 2.622 1.00 0.00 C ATOM 14 C GLN A 2 22.321 5.390 1.342 1.00 0.00 C ATOM 15 O GLN A 2 21.167 5.806 1.378 1.00 0.00 O ATOM 16 CB GLN A 2 22.641 5.904 3.846 1.00 0.00 C ATOM 17 CG GLN A 2 22.874 7.420 3.818 1.00 0.00 C ATOM 18 CD GLN A 2 21.642 8.159 3.290 1.00 0.00 C ATOM 19 OE1 GLN A 2 20.556 8.025 4.016 1.00 0.00 O flip ATOM 20 NE2 GLN A 2 21.650 8.835 2.282 1.00 0.00 N flip ATOM 0 H GLN A 2 24.858 5.983 1.702 1.00 0.00 H new ATOM 0 HA GLN A 2 23.003 4.071 2.788 1.00 0.00 H new ATOM 0 HB2 GLN A 2 21.572 5.720 3.949 1.00 0.00 H new ATOM 0 HB3 GLN A 2 23.122 5.496 4.735 1.00 0.00 H new ATOM 0 HG2 GLN A 2 23.111 7.773 4.822 1.00 0.00 H new ATOM 0 HG3 GLN A 2 23.735 7.647 3.189 1.00 0.00 H new ATOM 0 HE21 GLN A 2 22.506 8.924 1.734 1.00 0.00 H new ATOM 0 HE22 GLN A 2 20.801 9.314 1.982 1.00 0.00 H new ATOM 24 N ARG A 3 22.839 4.838 0.251 1.00 0.00 N ATOM 25 CA ARG A 3 22.215 4.930 -1.086 1.00 0.00 C ATOM 26 C ARG A 3 22.115 3.524 -1.682 1.00 0.00 C ATOM 27 O ARG A 3 22.960 2.680 -1.394 1.00 0.00 O ATOM 28 CB ARG A 3 23.100 5.802 -1.988 1.00 0.00 C ATOM 29 CG ARG A 3 22.340 6.212 -3.243 1.00 0.00 C ATOM 30 CD ARG A 3 23.327 6.374 -4.403 1.00 0.00 C ATOM 31 NE ARG A 3 22.964 7.557 -5.205 1.00 0.00 N ATOM 32 CZ ARG A 3 23.229 8.824 -4.873 1.00 0.00 C ATOM 33 NH1 ARG A 3 23.822 9.156 -3.736 1.00 0.00 N ATOM 34 NH2 ARG A 3 22.946 9.806 -5.720 1.00 0.00 N ATOM 0 H ARG A 3 23.710 4.308 0.258 1.00 0.00 H new ATOM 0 HA ARG A 3 21.221 5.370 -1.009 1.00 0.00 H new ATOM 0 HB2 ARG A 3 23.421 6.690 -1.444 1.00 0.00 H new ATOM 0 HB3 ARG A 3 24.001 5.254 -2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 3 21.591 5.460 -3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 3 21.808 7.147 -3.070 1.00 0.00 H new ATOM 0 HD2 ARG A 3 24.341 6.481 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 3 23.317 5.482 -5.029 1.00 0.00 H new ATOM 0 HE ARG A 3 22.471 7.395 -6.083 1.00 0.00 H new ATOM 0 HH11 ARG A 3 24.096 8.431 -3.073 1.00 0.00 H new ATOM 0 HH12 ARG A 3 24.005 10.137 -3.524 1.00 0.00 H new ATOM 0 HH21 ARG A 3 22.526 9.594 -6.625 1.00 0.00 H new ATOM 0 HH22 ARG A 3 23.149 10.773 -5.466 1.00 0.00 H new ATOM 41 N MET A 4 20.954 3.247 -2.282 1.00 0.00 N ATOM 42 CA MET A 4 20.578 1.950 -2.900 1.00 0.00 C ATOM 43 C MET A 4 20.287 0.824 -1.908 1.00 0.00 C ATOM 44 O MET A 4 19.601 -0.142 -2.225 1.00 0.00 O ATOM 45 CB MET A 4 21.619 1.515 -3.942 1.00 0.00 C ATOM 46 CG MET A 4 20.978 1.115 -5.270 1.00 0.00 C ATOM 47 SD MET A 4 19.827 2.348 -5.998 1.00 0.00 S ATOM 48 CE MET A 4 20.764 3.868 -5.948 1.00 0.00 C ATOM 0 H MET A 4 20.212 3.942 -2.359 1.00 0.00 H new ATOM 0 HA MET A 4 19.626 2.138 -3.397 1.00 0.00 H new ATOM 0 HB2 MET A 4 22.323 2.330 -4.112 1.00 0.00 H new ATOM 0 HB3 MET A 4 22.193 0.675 -3.550 1.00 0.00 H new ATOM 0 HG2 MET A 4 21.771 0.915 -5.990 1.00 0.00 H new ATOM 0 HG3 MET A 4 20.436 0.180 -5.125 1.00 0.00 H new ATOM 0 HE1 MET A 4 20.146 4.688 -6.314 1.00 0.00 H new ATOM 0 HE2 MET A 4 21.070 4.073 -4.922 1.00 0.00 H new ATOM 0 HE3 MET A 4 21.648 3.771 -6.578 1.00 0.00 H new ATOM 50 N LYS A 5 20.705 1.089 -0.675 1.00 0.00 N ATOM 51 CA LYS A 5 20.544 0.223 0.513 1.00 0.00 C ATOM 52 C LYS A 5 19.305 0.547 1.353 1.00 0.00 C ATOM 53 O LYS A 5 18.694 -0.343 1.936 1.00 0.00 O ATOM 54 CB LYS A 5 21.798 0.370 1.359 1.00 0.00 C ATOM 55 CG LYS A 5 22.986 -0.273 0.646 1.00 0.00 C ATOM 56 CD LYS A 5 24.305 -0.089 1.403 1.00 0.00 C ATOM 57 CE LYS A 5 24.236 -0.658 2.823 1.00 0.00 C ATOM 58 NZ LYS A 5 25.592 -0.919 3.289 1.00 0.00 N ATOM 0 H LYS A 5 21.193 1.957 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 5 20.401 -0.801 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 5 22.001 1.425 1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 5 21.648 -0.100 2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 5 22.793 -1.338 0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 5 23.082 0.157 -0.351 1.00 0.00 H new ATOM 0 HD2 LYS A 5 25.109 -0.580 0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 5 24.552 0.972 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 5 23.737 0.047 3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 5 23.650 -1.577 2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 25.559 -1.306 4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 26.051 -1.605 2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 26.135 -0.032 3.290 1.00 0.00 H new ATOM 63 N GLN A 6 18.815 1.770 1.193 1.00 0.00 N ATOM 64 CA GLN A 6 17.508 2.172 1.738 1.00 0.00 C ATOM 65 C GLN A 6 16.464 2.439 0.656 1.00 0.00 C ATOM 66 O GLN A 6 15.282 2.259 0.934 1.00 0.00 O ATOM 67 CB GLN A 6 17.631 3.394 2.637 1.00 0.00 C ATOM 68 CG GLN A 6 18.424 3.090 3.907 1.00 0.00 C ATOM 69 CD GLN A 6 18.660 4.353 4.734 1.00 0.00 C ATOM 70 OE1 GLN A 6 18.979 5.455 4.084 1.00 0.00 O flip ATOM 71 NE2 GLN A 6 18.578 4.367 5.955 1.00 0.00 N flip ATOM 0 H GLN A 6 19.301 2.511 0.688 1.00 0.00 H new ATOM 0 HA GLN A 6 17.164 1.322 2.327 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.119 4.200 2.089 1.00 0.00 H new ATOM 0 HB3 GLN A 6 16.636 3.748 2.906 1.00 0.00 H new ATOM 0 HG2 GLN A 6 17.886 2.356 4.507 1.00 0.00 H new ATOM 0 HG3 GLN A 6 19.382 2.643 3.641 1.00 0.00 H new ATOM 0 HE21 GLN A 6 18.331 3.515 6.459 1.00 0.00 H new ATOM 0 HE22 GLN A 6 18.756 5.230 6.468 1.00 0.00 H new ATOM 75 N LEU A 7 16.881 2.736 -0.565 1.00 0.00 N ATOM 76 CA LEU A 7 15.932 2.964 -1.676 1.00 0.00 C ATOM 77 C LEU A 7 14.990 1.774 -1.898 1.00 0.00 C ATOM 78 O LEU A 7 13.810 1.934 -1.640 1.00 0.00 O ATOM 79 CB LEU A 7 16.647 3.416 -2.964 1.00 0.00 C ATOM 80 CG LEU A 7 17.466 4.697 -2.746 1.00 0.00 C ATOM 81 CD1 LEU A 7 18.098 5.136 -4.055 1.00 0.00 C ATOM 82 CD2 LEU A 7 16.636 5.877 -2.201 1.00 0.00 C ATOM 0 H LEU A 7 17.863 2.828 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 7 15.291 3.794 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 7 17.305 2.620 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 7 15.909 3.586 -3.748 1.00 0.00 H new ATOM 0 HG LEU A 7 18.218 4.444 -1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 7 18.677 6.045 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.755 4.348 -4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.316 5.330 -4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 7 17.281 6.746 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 7 15.839 6.117 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 7 16.201 5.603 -1.240 1.00 0.00 H new ATOM 84 N GLU A 8 15.538 0.565 -1.891 1.00 0.00 N ATOM 85 CA GLU A 8 14.752 -0.683 -1.979 1.00 0.00 C ATOM 86 C GLU A 8 13.938 -0.999 -0.693 1.00 0.00 C ATOM 87 O GLU A 8 12.806 -1.458 -0.783 1.00 0.00 O ATOM 88 CB GLU A 8 15.689 -1.830 -2.414 1.00 0.00 C ATOM 89 CG GLU A 8 16.399 -2.674 -1.344 1.00 0.00 C ATOM 90 CD GLU A 8 17.049 -1.927 -0.177 1.00 0.00 C ATOM 91 OE1 GLU A 8 16.944 -2.319 0.976 1.00 0.00 O ATOM 92 OE2 GLU A 8 17.482 -0.664 -0.362 1.00 0.00 O ATOM 0 H GLU A 8 16.544 0.410 -1.824 1.00 0.00 H new ATOM 0 HA GLU A 8 13.980 -0.555 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.106 -2.511 -3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.459 -1.398 -3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.674 -3.376 -0.933 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.171 -3.265 -1.838 1.00 0.00 H new ATOM 95 N ASP A 9 14.443 -0.540 0.457 1.00 0.00 N ATOM 96 CA ASP A 9 13.792 -0.692 1.780 1.00 0.00 C ATOM 97 C ASP A 9 12.624 0.294 1.957 1.00 0.00 C ATOM 98 O ASP A 9 11.652 0.003 2.660 1.00 0.00 O ATOM 99 CB ASP A 9 14.826 -0.473 2.886 1.00 0.00 C ATOM 100 CG ASP A 9 15.005 -1.689 3.807 1.00 0.00 C ATOM 101 OD1 ASP A 9 16.014 -1.853 4.483 1.00 0.00 O ATOM 102 OD2 ASP A 9 13.971 -2.548 3.917 1.00 0.00 O ATOM 0 H ASP A 9 15.332 -0.042 0.504 1.00 0.00 H new ATOM 0 HA ASP A 9 13.386 -1.702 1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.786 -0.227 2.432 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.528 0.387 3.486 1.00 0.00 H new ATOM 105 N LYS A 10 12.715 1.420 1.255 1.00 0.00 N ATOM 106 CA LYS A 10 11.673 2.451 1.226 1.00 0.00 C ATOM 107 C LYS A 10 10.706 2.294 0.027 1.00 0.00 C ATOM 108 O LYS A 10 9.545 2.649 0.134 1.00 0.00 O ATOM 109 CB LYS A 10 12.284 3.854 1.400 1.00 0.00 C ATOM 110 CG LYS A 10 12.930 4.535 0.190 1.00 0.00 C ATOM 111 CD LYS A 10 11.866 5.200 -0.681 1.00 0.00 C ATOM 112 CE LYS A 10 12.425 5.687 -2.018 1.00 0.00 C ATOM 113 NZ LYS A 10 11.292 5.772 -2.954 1.00 0.00 N ATOM 0 H LYS A 10 13.526 1.649 0.680 1.00 0.00 H new ATOM 0 HA LYS A 10 11.023 2.308 2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.497 4.513 1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 10 13.039 3.790 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 10 13.651 5.280 0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.482 3.800 -0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 10 11.057 4.493 -0.865 1.00 0.00 H new ATOM 0 HD3 LYS A 10 11.435 6.044 -0.142 1.00 0.00 H new ATOM 0 HE2 LYS A 10 12.905 6.659 -1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 10 13.183 4.999 -2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 11.634 6.085 -3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.846 4.837 -3.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.595 6.454 -2.594 1.00 0.00 H new ATOM 118 N VAL A 11 11.178 1.695 -1.065 1.00 0.00 N ATOM 119 CA VAL A 11 10.354 1.349 -2.243 1.00 0.00 C ATOM 120 C VAL A 11 9.417 0.175 -1.903 1.00 0.00 C ATOM 121 O VAL A 11 8.226 0.228 -2.208 1.00 0.00 O ATOM 122 CB VAL A 11 11.259 1.085 -3.460 1.00 0.00 C ATOM 123 CG1 VAL A 11 10.571 0.389 -4.640 1.00 0.00 C ATOM 124 CG2 VAL A 11 11.818 2.413 -3.995 1.00 0.00 C ATOM 0 H VAL A 11 12.157 1.429 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 11 9.712 2.187 -2.515 1.00 0.00 H new ATOM 0 HB VAL A 11 12.033 0.416 -3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.289 0.247 -5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.190 -0.580 -4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.744 1.005 -4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.457 2.218 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.994 3.060 -4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.400 2.904 -3.215 1.00 0.00 H new ATOM 126 N GLU A 12 9.938 -0.801 -1.166 1.00 0.00 N ATOM 127 CA GLU A 12 9.140 -1.953 -0.733 1.00 0.00 C ATOM 128 C GLU A 12 8.009 -1.554 0.224 1.00 0.00 C ATOM 129 O GLU A 12 6.851 -1.832 -0.099 1.00 0.00 O ATOM 130 CB GLU A 12 9.989 -3.098 -0.158 1.00 0.00 C ATOM 131 CG GLU A 12 9.169 -4.341 0.189 1.00 0.00 C ATOM 132 CD GLU A 12 8.497 -5.099 -0.980 1.00 0.00 C ATOM 133 OE1 GLU A 12 8.128 -6.254 -0.847 1.00 0.00 O ATOM 134 OE2 GLU A 12 8.335 -4.485 -2.174 1.00 0.00 O ATOM 0 H GLU A 12 10.909 -0.821 -0.854 1.00 0.00 H new ATOM 0 HA GLU A 12 8.676 -2.341 -1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.759 -3.369 -0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.502 -2.747 0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.821 -5.040 0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.390 -4.045 0.891 1.00 0.00 H new ATOM 137 N GLU A 13 8.347 -0.755 1.242 1.00 0.00 N ATOM 138 CA GLU A 13 7.385 -0.231 2.224 1.00 0.00 C ATOM 139 C GLU A 13 6.132 0.364 1.541 1.00 0.00 C ATOM 140 O GLU A 13 5.014 -0.046 1.870 1.00 0.00 O ATOM 141 CB GLU A 13 8.081 0.768 3.178 1.00 0.00 C ATOM 142 CG GLU A 13 7.980 2.251 2.820 1.00 0.00 C ATOM 143 CD GLU A 13 9.094 3.147 3.363 1.00 0.00 C ATOM 144 OE1 GLU A 13 9.788 2.866 4.334 1.00 0.00 O ATOM 145 OE2 GLU A 13 9.319 4.278 2.678 1.00 0.00 O ATOM 0 H GLU A 13 9.305 -0.450 1.411 1.00 0.00 H new ATOM 0 HA GLU A 13 7.024 -1.062 2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.664 0.631 4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.137 0.504 3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.964 2.342 1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.025 2.629 3.186 1.00 0.00 H new ATOM 148 N LEU A 14 6.359 1.006 0.391 1.00 0.00 N ATOM 149 CA LEU A 14 5.298 1.619 -0.426 1.00 0.00 C ATOM 150 C LEU A 14 4.346 0.546 -0.930 1.00 0.00 C ATOM 151 O LEU A 14 3.221 0.514 -0.439 1.00 0.00 O ATOM 152 CB LEU A 14 5.835 2.400 -1.634 1.00 0.00 C ATOM 153 CG LEU A 14 6.888 3.459 -1.291 1.00 0.00 C ATOM 154 CD1 LEU A 14 7.289 4.184 -2.569 1.00 0.00 C ATOM 155 CD2 LEU A 14 6.455 4.449 -0.209 1.00 0.00 C ATOM 0 H LEU A 14 7.292 1.118 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 14 4.785 2.327 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.266 1.694 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.999 2.887 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 14 7.743 2.936 -0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.039 4.941 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.703 3.468 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.413 4.663 -3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.258 5.163 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.563 4.982 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.235 3.909 0.712 1.00 0.00 H new ATOM 157 N LEU A 15 4.839 -0.407 -1.721 1.00 0.00 N ATOM 158 CA LEU A 15 4.040 -1.526 -2.262 1.00 0.00 C ATOM 159 C LEU A 15 3.317 -2.312 -1.155 1.00 0.00 C ATOM 160 O LEU A 15 2.094 -2.364 -1.181 1.00 0.00 O ATOM 161 CB LEU A 15 4.882 -2.485 -3.092 1.00 0.00 C ATOM 162 CG LEU A 15 5.872 -1.806 -4.055 1.00 0.00 C ATOM 163 CD1 LEU A 15 6.511 -2.886 -4.921 1.00 0.00 C ATOM 164 CD2 LEU A 15 5.245 -0.730 -4.960 1.00 0.00 C ATOM 0 H LEU A 15 5.816 -0.431 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 15 3.293 -1.067 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.440 -3.134 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.215 -3.125 -3.670 1.00 0.00 H new ATOM 0 HG LEU A 15 6.605 -1.283 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.218 -2.427 -5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.036 -3.599 -4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.736 -3.405 -5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.013 -0.304 -5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.464 -1.180 -5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.813 0.058 -4.343 1.00 0.00 H new ATOM 166 N SER A 16 4.058 -2.700 -0.111 1.00 0.00 N ATOM 167 CA SER A 16 3.526 -3.372 1.107 1.00 0.00 C ATOM 168 C SER A 16 2.251 -2.694 1.644 1.00 0.00 C ATOM 169 O SER A 16 1.265 -3.346 2.004 1.00 0.00 O ATOM 170 CB SER A 16 4.561 -3.333 2.231 1.00 0.00 C ATOM 171 OG SER A 16 5.859 -3.699 1.768 1.00 0.00 O ATOM 0 H SER A 16 5.067 -2.558 -0.077 1.00 0.00 H new ATOM 0 HA SER A 16 3.295 -4.395 0.810 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.597 -2.331 2.658 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.256 -4.009 3.030 1.00 0.00 H new ATOM 0 HG SER A 16 6.241 -2.961 1.249 1.00 0.00 H new ATOM 174 N LYS A 17 2.278 -1.364 1.577 1.00 0.00 N ATOM 175 CA LYS A 17 1.174 -0.466 1.962 1.00 0.00 C ATOM 176 C LYS A 17 0.173 -0.186 0.837 1.00 0.00 C ATOM 177 O LYS A 17 -1.023 -0.395 1.000 1.00 0.00 O ATOM 178 CB LYS A 17 1.774 0.832 2.523 1.00 0.00 C ATOM 179 CG LYS A 17 2.572 0.525 3.800 1.00 0.00 C ATOM 180 CD LYS A 17 3.539 1.636 4.212 1.00 0.00 C ATOM 181 CE LYS A 17 2.835 2.821 4.880 1.00 0.00 C ATOM 182 NZ LYS A 17 3.878 3.648 5.486 1.00 0.00 N ATOM 0 H LYS A 17 3.097 -0.857 1.241 1.00 0.00 H new ATOM 0 HA LYS A 17 0.585 -0.973 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.423 1.295 1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.980 1.546 2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.874 0.343 4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.135 -0.396 3.651 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.282 1.228 4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.076 1.988 3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.265 3.393 4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.129 2.475 5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.443 4.469 5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.402 3.087 6.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.533 3.977 4.748 1.00 0.00 H new ATOM 187 N ASN A 18 0.645 0.152 -0.352 1.00 0.00 N ATOM 188 CA ASN A 18 -0.168 0.360 -1.571 1.00 0.00 C ATOM 189 C ASN A 18 -1.076 -0.847 -1.886 1.00 0.00 C ATOM 190 O ASN A 18 -2.258 -0.673 -2.206 1.00 0.00 O ATOM 191 CB ASN A 18 0.778 0.678 -2.728 1.00 0.00 C ATOM 192 CG ASN A 18 0.149 1.676 -3.700 1.00 0.00 C ATOM 193 OD1 ASN A 18 -0.116 1.386 -4.862 1.00 0.00 O ATOM 194 ND2 ASN A 18 -0.058 2.892 -3.244 1.00 0.00 N ATOM 0 H ASN A 18 1.641 0.298 -0.516 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.847 1.197 -1.410 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.710 1.086 -2.337 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.029 -0.241 -3.258 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.444 3.609 -3.859 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.167 3.119 -2.275 1.00 0.00 H new ATOM 198 N TYR A 19 -0.580 -2.035 -1.560 1.00 0.00 N ATOM 199 CA TYR A 19 -1.333 -3.312 -1.593 1.00 0.00 C ATOM 200 C TYR A 19 -2.504 -3.337 -0.587 1.00 0.00 C ATOM 201 O TYR A 19 -3.651 -3.522 -0.996 1.00 0.00 O ATOM 202 CB TYR A 19 -0.393 -4.505 -1.369 1.00 0.00 C ATOM 203 CG TYR A 19 0.484 -4.852 -2.579 1.00 0.00 C ATOM 204 CD1 TYR A 19 -0.096 -4.967 -3.866 1.00 0.00 C ATOM 205 CD2 TYR A 19 1.858 -5.093 -2.383 1.00 0.00 C ATOM 206 CE1 TYR A 19 0.707 -5.320 -4.962 1.00 0.00 C ATOM 207 CE2 TYR A 19 2.675 -5.438 -3.473 1.00 0.00 C ATOM 208 CZ TYR A 19 2.081 -5.543 -4.756 1.00 0.00 C ATOM 209 OH TYR A 19 2.869 -5.833 -5.821 1.00 0.00 O ATOM 0 H TYR A 19 0.386 -2.154 -1.254 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.772 -3.394 -2.587 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.252 -4.290 -0.517 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.989 -5.378 -1.105 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.151 -4.784 -4.004 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.284 -5.013 -1.394 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.277 -5.419 -5.948 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.731 -5.619 -3.337 1.00 0.00 H new ATOM 0 HH TYR A 19 3.793 -5.959 -5.520 1.00 0.00 H new ATOM 212 N HIS A 20 -2.240 -2.950 0.669 1.00 0.00 N ATOM 213 CA HIS A 20 -3.298 -2.837 1.696 1.00 0.00 C ATOM 214 C HIS A 20 -4.238 -1.635 1.477 1.00 0.00 C ATOM 215 O HIS A 20 -5.373 -1.608 1.965 1.00 0.00 O ATOM 216 CB HIS A 20 -2.736 -2.892 3.131 1.00 0.00 C ATOM 217 CG HIS A 20 -1.974 -1.695 3.716 1.00 0.00 C ATOM 218 ND1 HIS A 20 -2.289 -0.400 3.618 1.00 0.00 N flip ATOM 219 CD2 HIS A 20 -0.974 -1.770 4.585 1.00 0.00 C flip ATOM 220 CE1 HIS A 20 -1.460 0.304 4.363 1.00 0.00 C flip ATOM 221 NE2 HIS A 20 -0.682 -0.542 5.013 1.00 0.00 N flip ATOM 0 H HIS A 20 -1.307 -2.709 1.003 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.921 -3.722 1.571 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.574 -3.096 3.797 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.070 -3.754 3.183 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.478 -2.678 4.895 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.424 1.381 4.430 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.016 -0.300 5.716 1.00 0.00 H new ATOM 225 N LEU A 21 -3.791 -0.667 0.679 1.00 0.00 N ATOM 226 CA LEU A 21 -4.539 0.554 0.326 1.00 0.00 C ATOM 227 C LEU A 21 -5.745 0.245 -0.575 1.00 0.00 C ATOM 228 O LEU A 21 -6.849 0.712 -0.316 1.00 0.00 O ATOM 229 CB LEU A 21 -3.576 1.561 -0.318 1.00 0.00 C ATOM 230 CG LEU A 21 -4.258 2.733 -1.044 1.00 0.00 C ATOM 231 CD1 LEU A 21 -4.927 3.708 -0.068 1.00 0.00 C ATOM 232 CD2 LEU A 21 -3.260 3.433 -1.961 1.00 0.00 C ATOM 0 H LEU A 21 -2.870 -0.705 0.243 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.953 0.995 1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.922 1.963 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.941 1.032 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.061 2.329 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.395 4.518 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.686 3.181 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.177 4.119 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.753 4.261 -2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.428 3.814 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.885 2.724 -2.700 1.00 0.00 H new ATOM 234 N GLU A 22 -5.503 -0.604 -1.566 1.00 0.00 N ATOM 235 CA GLU A 22 -6.550 -1.081 -2.488 1.00 0.00 C ATOM 236 C GLU A 22 -7.714 -1.762 -1.761 1.00 0.00 C ATOM 237 O GLU A 22 -8.883 -1.545 -2.096 1.00 0.00 O ATOM 238 CB GLU A 22 -5.954 -1.986 -3.577 1.00 0.00 C ATOM 239 CG GLU A 22 -4.884 -1.244 -4.377 1.00 0.00 C ATOM 240 CD GLU A 22 -4.642 -1.801 -5.788 1.00 0.00 C ATOM 241 OE1 GLU A 22 -5.235 -2.774 -6.255 1.00 0.00 O ATOM 242 OE2 GLU A 22 -3.781 -1.096 -6.548 1.00 0.00 O ATOM 0 H GLU A 22 -4.578 -0.987 -1.761 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.970 -0.200 -2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.520 -2.875 -3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.744 -2.325 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.171 -0.196 -4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.946 -1.276 -3.822 1.00 0.00 H new ATOM 245 N ASN A 23 -7.386 -2.396 -0.630 1.00 0.00 N ATOM 246 CA ASN A 23 -8.372 -2.968 0.302 1.00 0.00 C ATOM 247 C ASN A 23 -9.257 -1.875 0.944 1.00 0.00 C ATOM 248 O ASN A 23 -10.487 -1.950 0.856 1.00 0.00 O ATOM 249 CB ASN A 23 -7.662 -3.804 1.376 1.00 0.00 C ATOM 250 CG ASN A 23 -8.647 -4.390 2.397 1.00 0.00 C ATOM 251 OD1 ASN A 23 -8.563 -4.156 3.595 1.00 0.00 O ATOM 252 ND2 ASN A 23 -9.678 -5.050 1.924 1.00 0.00 N ATOM 0 H ASN A 23 -6.420 -2.529 -0.330 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.034 -3.620 -0.268 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.111 -4.614 0.898 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.931 -3.183 1.894 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.412 -5.370 2.556 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.745 -5.243 0.925 1.00 0.00 H new ATOM 256 N GLU A 24 -8.616 -0.830 1.450 1.00 0.00 N ATOM 257 CA GLU A 24 -9.312 0.322 2.052 1.00 0.00 C ATOM 258 C GLU A 24 -10.205 1.036 1.051 1.00 0.00 C ATOM 259 O GLU A 24 -11.410 0.962 1.236 1.00 0.00 O ATOM 260 CB GLU A 24 -8.376 1.335 2.732 1.00 0.00 C ATOM 261 CG GLU A 24 -7.879 0.825 4.081 1.00 0.00 C ATOM 262 CD GLU A 24 -6.375 0.556 4.057 1.00 0.00 C ATOM 263 OE1 GLU A 24 -5.565 1.350 3.596 1.00 0.00 O ATOM 264 OE2 GLU A 24 -5.964 -0.582 4.648 1.00 0.00 O ATOM 0 H GLU A 24 -7.599 -0.748 1.459 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.931 -0.114 2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.524 1.536 2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.901 2.280 2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.106 1.558 4.855 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.410 -0.090 4.343 1.00 0.00 H new ATOM 267 N VAL A 25 -9.649 1.517 -0.063 1.00 0.00 N ATOM 268 CA VAL A 25 -10.379 2.124 -1.198 1.00 0.00 C ATOM 269 C VAL A 25 -11.661 1.348 -1.568 1.00 0.00 C ATOM 270 O VAL A 25 -12.721 1.967 -1.698 1.00 0.00 O ATOM 271 CB VAL A 25 -9.425 2.323 -2.409 1.00 0.00 C ATOM 272 CG1 VAL A 25 -10.135 2.828 -3.670 1.00 0.00 C ATOM 273 CG2 VAL A 25 -8.340 3.344 -2.057 1.00 0.00 C ATOM 0 H VAL A 25 -8.640 1.498 -0.213 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.726 3.108 -0.882 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.008 1.338 -2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.409 2.944 -4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.898 2.110 -3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.604 3.790 -3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.676 3.478 -2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.805 4.297 -1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.766 2.985 -1.203 1.00 0.00 H new ATOM 275 N ALA A 26 -11.593 0.022 -1.505 1.00 0.00 N ATOM 276 CA ALA A 26 -12.755 -0.873 -1.714 1.00 0.00 C ATOM 277 C ALA A 26 -13.811 -0.749 -0.599 1.00 0.00 C ATOM 278 O ALA A 26 -14.883 -0.202 -0.828 1.00 0.00 O ATOM 279 CB ALA A 26 -12.266 -2.313 -1.890 1.00 0.00 C ATOM 0 H ALA A 26 -10.727 -0.479 -1.306 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.264 -0.562 -2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.121 -2.971 -2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.604 -2.370 -2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.724 -2.625 -0.997 1.00 0.00 H new ATOM 281 N ARG A 27 -13.455 -1.161 0.624 1.00 0.00 N ATOM 282 CA ARG A 27 -14.316 -1.029 1.835 1.00 0.00 C ATOM 283 C ARG A 27 -14.838 0.409 2.037 1.00 0.00 C ATOM 284 O ARG A 27 -16.016 0.610 2.302 1.00 0.00 O ATOM 285 CB ARG A 27 -13.591 -1.492 3.104 1.00 0.00 C ATOM 286 CG ARG A 27 -13.165 -2.964 3.005 1.00 0.00 C ATOM 287 CD ARG A 27 -13.651 -3.832 4.166 1.00 0.00 C ATOM 288 NE ARG A 27 -13.840 -5.153 3.535 1.00 0.00 N ATOM 289 CZ ARG A 27 -13.270 -6.314 3.856 1.00 0.00 C ATOM 290 NH1 ARG A 27 -13.051 -6.701 5.094 1.00 0.00 N ATOM 291 NH2 ARG A 27 -12.495 -6.856 2.922 1.00 0.00 N ATOM 0 H ARG A 27 -12.555 -1.601 0.816 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.172 -1.680 1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.712 -0.869 3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -14.244 -1.359 3.966 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -13.544 -3.379 2.071 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.077 -3.014 2.958 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.921 -3.871 4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -14.579 -3.452 4.593 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.492 -5.181 2.751 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.322 -6.100 5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.610 -7.603 5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.368 -6.383 2.027 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.027 -7.745 3.100 1.00 0.00 H new ATOM 298 N LEU A 28 -13.968 1.372 1.726 1.00 0.00 N ATOM 299 CA LEU A 28 -14.249 2.815 1.649 1.00 0.00 C ATOM 300 C LEU A 28 -15.367 3.136 0.656 1.00 0.00 C ATOM 301 O LEU A 28 -16.410 3.593 1.083 1.00 0.00 O ATOM 302 CB LEU A 28 -12.939 3.557 1.322 1.00 0.00 C ATOM 303 CG LEU A 28 -13.110 4.997 0.831 1.00 0.00 C ATOM 304 CD1 LEU A 28 -13.491 5.929 1.981 1.00 0.00 C ATOM 305 CD2 LEU A 28 -11.836 5.494 0.154 1.00 0.00 C ATOM 0 H LEU A 28 -12.994 1.159 1.509 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.619 3.160 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.313 3.566 2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.401 2.992 0.561 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.919 5.003 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.606 6.945 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.431 5.597 2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.708 5.910 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.981 6.519 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.010 5.461 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.606 4.857 -0.700 1.00 0.00 H new ATOM 307 N LYS A 29 -15.190 2.766 -0.618 1.00 0.00 N ATOM 308 CA LYS A 29 -16.205 3.023 -1.659 1.00 0.00 C ATOM 309 C LYS A 29 -17.556 2.325 -1.373 1.00 0.00 C ATOM 310 O LYS A 29 -18.606 2.817 -1.773 1.00 0.00 O ATOM 311 CB LYS A 29 -15.597 2.631 -3.006 1.00 0.00 C ATOM 312 CG LYS A 29 -16.163 3.513 -4.119 1.00 0.00 C ATOM 313 CD LYS A 29 -15.040 3.957 -5.062 1.00 0.00 C ATOM 314 CE LYS A 29 -15.560 4.876 -6.180 1.00 0.00 C ATOM 315 NZ LYS A 29 -16.084 6.131 -5.638 1.00 0.00 N ATOM 0 H LYS A 29 -14.356 2.288 -0.957 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.460 4.083 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.513 2.734 -2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.811 1.583 -3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.922 2.965 -4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.653 4.386 -3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.272 4.479 -4.491 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.568 3.079 -5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.754 5.089 -6.882 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.343 4.364 -6.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.237 6.807 -6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.986 5.950 -5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.401 6.529 -4.962 1.00 0.00 H new ATOM 320 N LYS A 30 -17.502 1.284 -0.550 1.00 0.00 N ATOM 321 CA LYS A 30 -18.690 0.579 -0.011 1.00 0.00 C ATOM 322 C LYS A 30 -19.300 1.208 1.252 1.00 0.00 C ATOM 323 O LYS A 30 -20.509 1.130 1.467 1.00 0.00 O ATOM 324 CB LYS A 30 -18.324 -0.892 0.205 1.00 0.00 C ATOM 325 CG LYS A 30 -18.288 -1.632 -1.146 1.00 0.00 C ATOM 326 CD LYS A 30 -17.195 -2.692 -1.230 1.00 0.00 C ATOM 327 CE LYS A 30 -17.358 -3.854 -0.251 1.00 0.00 C ATOM 328 NZ LYS A 30 -16.174 -4.710 -0.331 1.00 0.00 N ATOM 0 H LYS A 30 -16.620 0.888 -0.224 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.485 0.673 -0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -17.353 -0.965 0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -19.051 -1.362 0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -19.255 -2.104 -1.318 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -18.141 -0.906 -1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.170 -3.090 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.231 -2.216 -1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.483 -3.477 0.764 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.254 -4.426 -0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.275 -5.505 0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.076 -5.077 -1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.329 -4.157 -0.083 1.00 0.00 H new ATOM 333 N LEU A 31 -18.479 1.894 2.052 1.00 0.00 N ATOM 334 CA LEU A 31 -18.896 2.672 3.234 1.00 0.00 C ATOM 335 C LEU A 31 -19.276 4.132 2.912 1.00 0.00 C ATOM 336 O LEU A 31 -20.071 4.748 3.623 1.00 0.00 O ATOM 337 CB LEU A 31 -17.829 2.476 4.334 1.00 0.00 C ATOM 338 CG LEU A 31 -16.919 3.666 4.681 1.00 0.00 C ATOM 339 CD1 LEU A 31 -17.543 4.522 5.795 1.00 0.00 C ATOM 340 CD2 LEU A 31 -15.540 3.175 5.133 1.00 0.00 C ATOM 0 H LEU A 31 -17.472 1.928 1.894 1.00 0.00 H new ATOM 0 HA LEU A 31 -19.841 2.292 3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -18.343 2.172 5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -17.191 1.644 4.035 1.00 0.00 H new ATOM 0 HG LEU A 31 -16.809 4.274 3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -16.882 5.358 6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -18.509 4.903 5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -17.681 3.913 6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.910 4.031 5.374 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -15.649 2.545 6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.078 2.599 4.331 1.00 0.00 H new ATOM 342 N VAL A 32 -18.813 4.614 1.750 1.00 0.00 N ATOM 343 CA VAL A 32 -19.133 5.938 1.154 1.00 0.00 C ATOM 344 C VAL A 32 -20.617 6.058 0.777 1.00 0.00 C ATOM 345 O VAL A 32 -21.151 7.163 0.773 1.00 0.00 O ATOM 346 CB VAL A 32 -18.179 6.214 -0.031 1.00 0.00 C ATOM 347 CG1 VAL A 32 -18.622 7.326 -0.999 1.00 0.00 C ATOM 348 CG2 VAL A 32 -16.822 6.638 0.511 1.00 0.00 C ATOM 0 H VAL A 32 -18.175 4.074 1.166 1.00 0.00 H new ATOM 0 HA VAL A 32 -18.969 6.714 1.902 1.00 0.00 H new ATOM 0 HB VAL A 32 -18.164 5.280 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -17.881 7.436 -1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -19.585 7.065 -1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -18.714 8.266 -0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -16.144 6.834 -0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -16.935 7.542 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -16.413 5.841 1.133 1.00 0.00 H new ATOM 350 N GLY A 33 -21.246 4.910 0.486 1.00 0.00 N ATOM 351 CA GLY A 33 -22.693 4.812 0.201 1.00 0.00 C ATOM 352 C GLY A 33 -23.533 5.623 1.203 1.00 0.00 C ATOM 353 O GLY A 33 -24.504 6.285 0.827 1.00 0.00 O ATOM 0 H GLY A 33 -20.764 4.012 0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.889 5.170 -0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.999 3.766 0.234 1.00 0.00 H new ATOM 355 N GLU A 34 -23.104 5.557 2.463 1.00 0.00 N ATOM 356 CA GLU A 34 -23.691 6.361 3.548 1.00 0.00 C ATOM 357 C GLU A 34 -22.572 7.207 4.186 1.00 0.00 C ATOM 358 O GLU A 34 -22.005 8.045 3.486 1.00 0.00 O ATOM 359 CB GLU A 34 -24.456 5.463 4.546 1.00 0.00 C ATOM 360 CG GLU A 34 -25.668 4.725 3.958 1.00 0.00 C ATOM 361 CD GLU A 34 -25.273 3.619 2.985 1.00 0.00 C ATOM 362 OE1 GLU A 34 -24.458 2.743 3.268 1.00 0.00 O ATOM 363 OE2 GLU A 34 -25.839 3.651 1.764 1.00 0.00 O ATOM 0 H GLU A 34 -22.343 4.949 2.765 1.00 0.00 H new ATOM 0 HA GLU A 34 -24.442 7.051 3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -23.764 4.726 4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -24.794 6.078 5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -26.255 4.296 4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -26.310 5.441 3.445 1.00 0.00 H new ATOM 366 N ARG A 35 -22.155 6.856 5.404 1.00 0.00 N ATOM 367 CA ARG A 35 -21.173 7.547 6.284 1.00 0.00 C ATOM 368 C ARG A 35 -21.298 7.147 7.769 1.00 0.00 C ATOM 369 O ARG A 35 -22.290 6.446 8.094 1.00 0.00 O ATOM 370 CB ARG A 35 -21.222 9.089 6.179 1.00 0.00 C ATOM 371 CG ARG A 35 -22.606 9.685 6.400 1.00 0.00 C ATOM 372 CD ARG A 35 -22.749 10.965 5.552 1.00 0.00 C ATOM 373 NE ARG A 35 -24.080 11.611 5.574 1.00 0.00 N ATOM 374 CZ ARG A 35 -25.000 11.621 6.546 1.00 0.00 C ATOM 375 NH1 ARG A 35 -24.709 11.460 7.828 1.00 0.00 N ATOM 376 NH2 ARG A 35 -26.254 11.373 6.206 1.00 0.00 N ATOM 377 OXT ARG A 35 -20.389 7.490 8.555 1.00 0.00 O ATOM 0 H ARG A 35 -22.517 6.013 5.850 1.00 0.00 H new ATOM 0 HA ARG A 35 -20.210 7.205 5.906 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -20.534 9.514 6.910 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -20.863 9.387 5.194 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -23.374 8.963 6.123 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -22.751 9.916 7.455 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -22.010 11.689 5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -22.502 10.722 4.519 1.00 0.00 H new ATOM 0 HE ARG A 35 -24.332 12.121 4.728 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -23.741 11.319 8.117 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -25.453 11.477 8.526 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -26.490 11.183 5.232 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -26.985 11.371 6.918 1.00 0.00 H new TER 384 ARG A 35