USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 86 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ 171:sc= -0.0509 (180deg=-0.137) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 4 MET CE :methyl 180:sc= -1.07 (180deg=-1.07) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 10 LYS NZ :NH3+ 157:sc= -0.067 (180deg=-0.516) USER MOD Single : A 16 SER OG : rot 160:sc= -0.228 USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= -0.155 (180deg=-0.538) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -1.34 F(o=-1.9,f=-1.3) USER MOD Single : A 23 ASN : amide:sc=-0.00149 X(o=-0.0015,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0436) USER MOD Single : A 30 LYS NZ :NH3+ -157:sc= -2.47 (180deg=-3.42!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 13.720 4.935 -10.389 1.00 0.00 N ATOM 2 CA LEU A 1 14.294 3.605 -10.022 1.00 0.00 C ATOM 3 C LEU A 1 15.038 3.583 -8.666 1.00 0.00 C ATOM 4 O LEU A 1 15.935 2.746 -8.423 1.00 0.00 O ATOM 5 CB LEU A 1 15.162 3.072 -11.174 1.00 0.00 C ATOM 6 CG LEU A 1 16.478 3.850 -11.357 1.00 0.00 C ATOM 7 CD1 LEU A 1 17.658 2.890 -11.186 1.00 0.00 C ATOM 8 CD2 LEU A 1 16.520 4.538 -12.713 1.00 0.00 C ATOM 0 H1 LEU A 1 13.375 4.905 -11.370 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.931 5.161 -9.751 1.00 0.00 H new ATOM 0 H3 LEU A 1 14.455 5.666 -10.303 1.00 0.00 H new ATOM 0 HA LEU A 1 13.451 2.931 -9.871 1.00 0.00 H new ATOM 0 HB2 LEU A 1 15.391 2.022 -10.991 1.00 0.00 H new ATOM 0 HB3 LEU A 1 14.590 3.116 -12.101 1.00 0.00 H new ATOM 0 HG LEU A 1 16.543 4.630 -10.599 1.00 0.00 H new ATOM 0 HD11 LEU A 1 18.593 3.436 -11.315 1.00 0.00 H new ATOM 0 HD12 LEU A 1 17.628 2.451 -10.189 1.00 0.00 H new ATOM 0 HD13 LEU A 1 17.594 2.099 -11.933 1.00 0.00 H new ATOM 0 HD21 LEU A 1 17.460 5.080 -12.817 1.00 0.00 H new ATOM 0 HD22 LEU A 1 16.443 3.791 -13.503 1.00 0.00 H new ATOM 0 HD23 LEU A 1 15.687 5.237 -12.792 1.00 0.00 H new ATOM 12 N GLN A 2 14.571 4.415 -7.772 1.00 0.00 N ATOM 13 CA GLN A 2 15.083 4.613 -6.392 1.00 0.00 C ATOM 14 C GLN A 2 14.760 3.406 -5.490 1.00 0.00 C ATOM 15 O GLN A 2 14.106 3.533 -4.434 1.00 0.00 O ATOM 16 CB GLN A 2 14.573 5.953 -5.815 1.00 0.00 C ATOM 17 CG GLN A 2 13.042 6.094 -5.855 1.00 0.00 C ATOM 18 CD GLN A 2 12.534 7.030 -4.751 1.00 0.00 C ATOM 19 OE1 GLN A 2 12.797 6.872 -3.569 1.00 0.00 O ATOM 20 NE2 GLN A 2 11.723 7.983 -5.117 1.00 0.00 N ATOM 0 H GLN A 2 13.776 5.020 -7.975 1.00 0.00 H new ATOM 0 HA GLN A 2 16.171 4.674 -6.428 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.912 6.048 -4.783 1.00 0.00 H new ATOM 0 HB3 GLN A 2 15.021 6.774 -6.375 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.736 6.478 -6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 2 12.582 5.112 -5.741 1.00 0.00 H new ATOM 0 HE21 GLN A 2 11.504 8.115 -6.104 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.308 8.597 -4.416 1.00 0.00 H new ATOM 24 N ARG A 3 15.245 2.263 -5.911 1.00 0.00 N ATOM 25 CA ARG A 3 14.928 0.920 -5.364 1.00 0.00 C ATOM 26 C ARG A 3 15.620 -0.275 -6.054 1.00 0.00 C ATOM 27 O ARG A 3 15.006 -1.142 -6.673 1.00 0.00 O ATOM 28 CB ARG A 3 13.402 0.738 -5.339 1.00 0.00 C ATOM 29 CG ARG A 3 12.723 0.929 -6.691 1.00 0.00 C ATOM 30 CD ARG A 3 11.247 0.701 -6.504 1.00 0.00 C ATOM 31 NE ARG A 3 10.752 0.060 -7.730 1.00 0.00 N ATOM 32 CZ ARG A 3 9.511 0.187 -8.174 1.00 0.00 C ATOM 33 NH1 ARG A 3 8.945 1.387 -8.227 1.00 0.00 N ATOM 34 NH2 ARG A 3 9.027 -0.751 -8.958 1.00 0.00 N ATOM 0 H ARG A 3 15.908 2.217 -6.684 1.00 0.00 H new ATOM 0 HA ARG A 3 15.345 0.905 -4.357 1.00 0.00 H new ATOM 0 HB2 ARG A 3 13.173 -0.262 -4.969 1.00 0.00 H new ATOM 0 HB3 ARG A 3 12.975 1.446 -4.628 1.00 0.00 H new ATOM 0 HG2 ARG A 3 12.909 1.933 -7.073 1.00 0.00 H new ATOM 0 HG3 ARG A 3 13.127 0.230 -7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 3 11.062 0.068 -5.636 1.00 0.00 H new ATOM 0 HD3 ARG A 3 10.731 1.644 -6.327 1.00 0.00 H new ATOM 0 HE ARG A 3 11.400 -0.515 -8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.466 2.210 -7.926 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.989 1.485 -8.569 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.605 -1.553 -9.211 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.074 -0.677 -9.313 1.00 0.00 H new ATOM 41 N MET A 4 16.925 -0.384 -5.807 1.00 0.00 N ATOM 42 CA MET A 4 17.733 -1.504 -6.352 1.00 0.00 C ATOM 43 C MET A 4 17.986 -2.679 -5.370 1.00 0.00 C ATOM 44 O MET A 4 18.227 -3.800 -5.806 1.00 0.00 O ATOM 45 CB MET A 4 19.061 -0.985 -6.916 1.00 0.00 C ATOM 46 CG MET A 4 19.948 -0.324 -5.848 1.00 0.00 C ATOM 47 SD MET A 4 20.485 1.385 -6.249 1.00 0.00 S ATOM 48 CE MET A 4 18.921 2.215 -6.434 1.00 0.00 C ATOM 0 H MET A 4 17.453 0.278 -5.239 1.00 0.00 H new ATOM 0 HA MET A 4 17.122 -1.927 -7.149 1.00 0.00 H new ATOM 0 HB2 MET A 4 19.605 -1.813 -7.371 1.00 0.00 H new ATOM 0 HB3 MET A 4 18.857 -0.264 -7.708 1.00 0.00 H new ATOM 0 HG2 MET A 4 19.405 -0.308 -4.903 1.00 0.00 H new ATOM 0 HG3 MET A 4 20.833 -0.942 -5.696 1.00 0.00 H new ATOM 0 HE1 MET A 4 19.092 3.263 -6.679 1.00 0.00 H new ATOM 0 HE2 MET A 4 18.351 1.743 -7.235 1.00 0.00 H new ATOM 0 HE3 MET A 4 18.361 2.147 -5.502 1.00 0.00 H new ATOM 50 N LYS A 5 17.942 -2.344 -4.082 1.00 0.00 N ATOM 51 CA LYS A 5 18.318 -3.195 -2.926 1.00 0.00 C ATOM 52 C LYS A 5 18.306 -2.394 -1.608 1.00 0.00 C ATOM 53 O LYS A 5 17.675 -2.785 -0.621 1.00 0.00 O ATOM 54 CB LYS A 5 19.680 -3.872 -3.105 1.00 0.00 C ATOM 55 CG LYS A 5 19.974 -4.870 -1.978 1.00 0.00 C ATOM 56 CD LYS A 5 21.049 -5.866 -2.371 1.00 0.00 C ATOM 57 CE LYS A 5 21.421 -6.719 -1.164 1.00 0.00 C ATOM 58 NZ LYS A 5 22.790 -6.368 -0.764 1.00 0.00 N ATOM 0 H LYS A 5 17.626 -1.420 -3.787 1.00 0.00 H new ATOM 0 HA LYS A 5 17.562 -3.978 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 5 19.705 -4.389 -4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 5 20.462 -3.113 -3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 5 20.289 -4.328 -1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 5 19.060 -5.405 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 5 20.692 -6.501 -3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 5 21.928 -5.340 -2.742 1.00 0.00 H new ATOM 0 HE2 LYS A 5 20.727 -6.541 -0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 5 21.356 -7.778 -1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 23.068 -6.938 0.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 23.441 -6.558 -1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 22.831 -5.359 -0.516 1.00 0.00 H new ATOM 63 N GLN A 6 18.803 -1.177 -1.723 1.00 0.00 N ATOM 64 CA GLN A 6 19.002 -0.244 -0.588 1.00 0.00 C ATOM 65 C GLN A 6 17.842 0.760 -0.421 1.00 0.00 C ATOM 66 O GLN A 6 17.090 0.688 0.543 1.00 0.00 O ATOM 67 CB GLN A 6 20.366 0.450 -0.740 1.00 0.00 C ATOM 68 CG GLN A 6 20.653 0.958 -2.158 1.00 0.00 C ATOM 69 CD GLN A 6 22.012 1.629 -2.305 1.00 0.00 C ATOM 70 OE1 GLN A 6 22.449 2.433 -1.502 1.00 0.00 O ATOM 71 NE2 GLN A 6 22.689 1.369 -3.414 1.00 0.00 N ATOM 0 H GLN A 6 19.091 -0.784 -2.619 1.00 0.00 H new ATOM 0 HA GLN A 6 19.001 -0.822 0.336 1.00 0.00 H new ATOM 0 HB2 GLN A 6 20.414 1.290 -0.048 1.00 0.00 H new ATOM 0 HB3 GLN A 6 21.151 -0.248 -0.449 1.00 0.00 H new ATOM 0 HG2 GLN A 6 20.594 0.121 -2.853 1.00 0.00 H new ATOM 0 HG3 GLN A 6 19.875 1.666 -2.445 1.00 0.00 H new ATOM 0 HE21 GLN A 6 22.325 0.696 -4.088 1.00 0.00 H new ATOM 0 HE22 GLN A 6 23.575 1.842 -3.594 1.00 0.00 H new ATOM 75 N LEU A 7 17.565 1.481 -1.493 1.00 0.00 N ATOM 76 CA LEU A 7 16.444 2.445 -1.541 1.00 0.00 C ATOM 77 C LEU A 7 15.075 1.719 -1.534 1.00 0.00 C ATOM 78 O LEU A 7 14.148 2.182 -0.881 1.00 0.00 O ATOM 79 CB LEU A 7 16.616 3.379 -2.743 1.00 0.00 C ATOM 80 CG LEU A 7 18.015 4.006 -2.859 1.00 0.00 C ATOM 81 CD1 LEU A 7 18.106 4.839 -4.136 1.00 0.00 C ATOM 82 CD2 LEU A 7 18.378 4.895 -1.663 1.00 0.00 C ATOM 0 H LEU A 7 18.100 1.426 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 7 16.460 3.060 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.403 2.822 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 7 15.877 4.177 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 7 18.724 3.178 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 7 19.100 5.281 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.925 4.200 -5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.358 5.631 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 7 19.377 5.307 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.658 5.709 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 7 18.358 4.301 -0.749 1.00 0.00 H new ATOM 84 N GLU A 8 15.086 0.463 -1.982 1.00 0.00 N ATOM 85 CA GLU A 8 13.904 -0.428 -1.911 1.00 0.00 C ATOM 86 C GLU A 8 13.491 -0.717 -0.466 1.00 0.00 C ATOM 87 O GLU A 8 12.315 -0.685 -0.212 1.00 0.00 O ATOM 88 CB GLU A 8 14.012 -1.741 -2.714 1.00 0.00 C ATOM 89 CG GLU A 8 14.862 -2.828 -2.060 1.00 0.00 C ATOM 90 CD GLU A 8 14.823 -4.146 -2.820 1.00 0.00 C ATOM 91 OE1 GLU A 8 15.271 -4.259 -3.953 1.00 0.00 O ATOM 92 OE2 GLU A 8 14.254 -5.183 -2.172 1.00 0.00 O ATOM 0 H GLU A 8 15.906 0.027 -2.404 1.00 0.00 H new ATOM 0 HA GLU A 8 13.120 0.147 -2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.008 -2.134 -2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.429 -1.516 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.894 -2.484 -1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.513 -2.991 -1.041 1.00 0.00 H new ATOM 95 N ASP A 9 14.445 -0.847 0.452 1.00 0.00 N ATOM 96 CA ASP A 9 14.130 -1.081 1.872 1.00 0.00 C ATOM 97 C ASP A 9 13.209 0.003 2.459 1.00 0.00 C ATOM 98 O ASP A 9 12.205 -0.300 3.092 1.00 0.00 O ATOM 99 CB ASP A 9 15.425 -1.208 2.692 1.00 0.00 C ATOM 100 CG ASP A 9 16.272 -2.440 2.329 1.00 0.00 C ATOM 101 OD1 ASP A 9 17.472 -2.479 2.532 1.00 0.00 O ATOM 102 OD2 ASP A 9 15.625 -3.492 1.775 1.00 0.00 O ATOM 0 H ASP A 9 15.443 -0.796 0.246 1.00 0.00 H new ATOM 0 HA ASP A 9 13.580 -2.020 1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 9 16.026 -0.310 2.546 1.00 0.00 H new ATOM 0 HB3 ASP A 9 15.170 -1.253 3.751 1.00 0.00 H new ATOM 105 N LYS A 10 13.419 1.218 1.972 1.00 0.00 N ATOM 106 CA LYS A 10 12.629 2.419 2.342 1.00 0.00 C ATOM 107 C LYS A 10 11.313 2.488 1.548 1.00 0.00 C ATOM 108 O LYS A 10 10.235 2.474 2.129 1.00 0.00 O ATOM 109 CB LYS A 10 13.493 3.671 2.130 1.00 0.00 C ATOM 110 CG LYS A 10 14.781 3.562 2.946 1.00 0.00 C ATOM 111 CD LYS A 10 15.762 4.686 2.632 1.00 0.00 C ATOM 112 CE LYS A 10 17.149 4.393 3.212 1.00 0.00 C ATOM 113 NZ LYS A 10 17.756 3.241 2.520 1.00 0.00 N ATOM 0 H LYS A 10 14.155 1.417 1.294 1.00 0.00 H new ATOM 0 HA LYS A 10 12.350 2.360 3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.731 3.784 1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.938 4.561 2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.538 3.581 4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 10 15.256 2.602 2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 10 15.837 4.815 1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.386 5.624 3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 10 17.789 5.269 3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 10 17.069 4.185 4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 18.790 3.282 2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.402 2.358 2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.504 3.270 1.511 1.00 0.00 H new ATOM 118 N VAL A 11 11.429 2.339 0.231 1.00 0.00 N ATOM 119 CA VAL A 11 10.280 2.300 -0.713 1.00 0.00 C ATOM 120 C VAL A 11 9.365 1.064 -0.490 1.00 0.00 C ATOM 121 O VAL A 11 8.187 1.075 -0.868 1.00 0.00 O ATOM 122 CB VAL A 11 10.784 2.426 -2.168 1.00 0.00 C ATOM 123 CG1 VAL A 11 9.634 2.537 -3.184 1.00 0.00 C ATOM 124 CG2 VAL A 11 11.668 3.668 -2.363 1.00 0.00 C ATOM 0 H VAL A 11 12.332 2.239 -0.233 1.00 0.00 H new ATOM 0 HA VAL A 11 9.642 3.160 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 11 11.354 1.514 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.044 2.623 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.007 1.647 -3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.034 3.419 -2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.001 3.718 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.095 4.564 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.535 3.604 -1.706 1.00 0.00 H new ATOM 126 N GLU A 12 9.865 0.075 0.240 1.00 0.00 N ATOM 127 CA GLU A 12 9.133 -1.152 0.644 1.00 0.00 C ATOM 128 C GLU A 12 7.917 -0.791 1.509 1.00 0.00 C ATOM 129 O GLU A 12 6.822 -1.180 1.148 1.00 0.00 O ATOM 130 CB GLU A 12 10.027 -2.091 1.456 1.00 0.00 C ATOM 131 CG GLU A 12 10.233 -3.459 0.788 1.00 0.00 C ATOM 132 CD GLU A 12 11.364 -3.460 -0.237 1.00 0.00 C ATOM 133 OE1 GLU A 12 12.539 -3.595 0.078 1.00 0.00 O ATOM 134 OE2 GLU A 12 11.033 -3.321 -1.538 1.00 0.00 O ATOM 0 H GLU A 12 10.824 0.091 0.587 1.00 0.00 H new ATOM 0 HA GLU A 12 8.815 -1.651 -0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.997 -1.618 1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.587 -2.238 2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.446 -4.203 1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.307 -3.761 0.299 1.00 0.00 H new ATOM 137 N GLU A 13 8.144 0.115 2.462 1.00 0.00 N ATOM 138 CA GLU A 13 7.075 0.655 3.336 1.00 0.00 C ATOM 139 C GLU A 13 5.992 1.388 2.513 1.00 0.00 C ATOM 140 O GLU A 13 4.805 1.274 2.817 1.00 0.00 O ATOM 141 CB GLU A 13 7.691 1.569 4.386 1.00 0.00 C ATOM 142 CG GLU A 13 7.022 1.407 5.767 1.00 0.00 C ATOM 143 CD GLU A 13 5.727 2.197 5.997 1.00 0.00 C ATOM 144 OE1 GLU A 13 5.111 2.807 5.131 1.00 0.00 O ATOM 145 OE2 GLU A 13 5.335 2.288 7.286 1.00 0.00 O ATOM 0 H GLU A 13 9.068 0.501 2.657 1.00 0.00 H new ATOM 0 HA GLU A 13 6.579 -0.174 3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.756 1.353 4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.601 2.605 4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.808 0.349 5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.741 1.701 6.531 1.00 0.00 H new ATOM 148 N LEU A 14 6.403 1.936 1.376 1.00 0.00 N ATOM 149 CA LEU A 14 5.466 2.580 0.428 1.00 0.00 C ATOM 150 C LEU A 14 4.601 1.522 -0.272 1.00 0.00 C ATOM 151 O LEU A 14 3.419 1.537 -0.094 1.00 0.00 O ATOM 152 CB LEU A 14 6.145 3.458 -0.620 1.00 0.00 C ATOM 153 CG LEU A 14 7.122 4.499 -0.053 1.00 0.00 C ATOM 154 CD1 LEU A 14 7.660 5.333 -1.209 1.00 0.00 C ATOM 155 CD2 LEU A 14 6.496 5.402 1.007 1.00 0.00 C ATOM 0 H LEU A 14 7.378 1.954 1.076 1.00 0.00 H new ATOM 0 HA LEU A 14 4.846 3.242 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.684 2.816 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.376 3.976 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 14 7.927 3.963 0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.356 6.079 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.176 4.684 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.833 5.834 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.240 6.113 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.656 5.944 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.144 4.795 1.841 1.00 0.00 H new ATOM 157 N LEU A 15 5.246 0.587 -0.992 1.00 0.00 N ATOM 158 CA LEU A 15 4.534 -0.482 -1.717 1.00 0.00 C ATOM 159 C LEU A 15 3.652 -1.345 -0.797 1.00 0.00 C ATOM 160 O LEU A 15 2.444 -1.383 -0.992 1.00 0.00 O ATOM 161 CB LEU A 15 5.480 -1.401 -2.502 1.00 0.00 C ATOM 162 CG LEU A 15 6.574 -0.661 -3.301 1.00 0.00 C ATOM 163 CD1 LEU A 15 7.332 -1.677 -4.148 1.00 0.00 C ATOM 164 CD2 LEU A 15 6.055 0.473 -4.191 1.00 0.00 C ATOM 0 H LEU A 15 6.261 0.550 -1.088 1.00 0.00 H new ATOM 0 HA LEU A 15 3.893 0.048 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.959 -2.089 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.890 -2.005 -3.191 1.00 0.00 H new ATOM 0 HG LEU A 15 7.224 -0.181 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.109 -1.168 -4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.789 -2.423 -3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.641 -2.167 -4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.891 0.937 -4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.350 0.071 -4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.554 1.219 -3.574 1.00 0.00 H new ATOM 166 N SER A 16 4.223 -1.812 0.320 1.00 0.00 N ATOM 167 CA SER A 16 3.491 -2.569 1.365 1.00 0.00 C ATOM 168 C SER A 16 2.206 -1.848 1.825 1.00 0.00 C ATOM 169 O SER A 16 1.170 -2.484 2.012 1.00 0.00 O ATOM 170 CB SER A 16 4.386 -2.836 2.576 1.00 0.00 C ATOM 171 OG SER A 16 4.748 -1.599 3.183 1.00 0.00 O ATOM 0 H SER A 16 5.211 -1.679 0.534 1.00 0.00 H new ATOM 0 HA SER A 16 3.201 -3.516 0.910 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.864 -3.467 3.295 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.281 -3.377 2.268 1.00 0.00 H new ATOM 0 HG SER A 16 5.035 -1.759 4.106 1.00 0.00 H new ATOM 174 N LYS A 17 2.279 -0.524 1.856 1.00 0.00 N ATOM 175 CA LYS A 17 1.129 0.362 2.068 1.00 0.00 C ATOM 176 C LYS A 17 0.265 0.599 0.813 1.00 0.00 C ATOM 177 O LYS A 17 -0.945 0.428 0.883 1.00 0.00 O ATOM 178 CB LYS A 17 1.605 1.677 2.683 1.00 0.00 C ATOM 179 CG LYS A 17 0.524 2.761 2.770 1.00 0.00 C ATOM 180 CD LYS A 17 0.807 3.950 1.857 1.00 0.00 C ATOM 181 CE LYS A 17 2.100 4.697 2.206 1.00 0.00 C ATOM 182 NZ LYS A 17 2.134 4.933 3.659 1.00 0.00 N ATOM 0 H LYS A 17 3.157 -0.019 1.732 1.00 0.00 H new ATOM 0 HA LYS A 17 0.462 -0.150 2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.986 1.479 3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.439 2.059 2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.441 2.328 2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.447 3.109 3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.866 3.600 0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.030 4.646 1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.968 4.114 1.898 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.145 5.644 1.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.859 5.646 3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.205 5.275 3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.362 4.045 4.150 1.00 0.00 H new ATOM 187 N ASN A 18 0.831 1.065 -0.276 1.00 0.00 N ATOM 188 CA ASN A 18 0.143 1.332 -1.557 1.00 0.00 C ATOM 189 C ASN A 18 -0.731 0.138 -1.999 1.00 0.00 C ATOM 190 O ASN A 18 -1.893 0.309 -2.378 1.00 0.00 O ATOM 191 CB ASN A 18 1.199 1.689 -2.611 1.00 0.00 C ATOM 192 CG ASN A 18 0.662 2.733 -3.584 1.00 0.00 C ATOM 193 OD1 ASN A 18 -0.152 2.478 -4.459 1.00 0.00 O ATOM 194 ND2 ASN A 18 1.097 3.983 -3.426 1.00 0.00 N ATOM 0 H ASN A 18 1.826 1.284 -0.314 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.541 2.171 -1.433 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.095 2.070 -2.120 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.491 0.792 -3.158 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.750 4.724 -4.035 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.776 4.198 -2.696 1.00 0.00 H new ATOM 198 N TYR A 19 -0.244 -1.045 -1.662 1.00 0.00 N ATOM 199 CA TYR A 19 -0.930 -2.350 -1.826 1.00 0.00 C ATOM 200 C TYR A 19 -2.140 -2.513 -0.871 1.00 0.00 C ATOM 201 O TYR A 19 -3.225 -2.863 -1.325 1.00 0.00 O ATOM 202 CB TYR A 19 0.080 -3.485 -1.659 1.00 0.00 C ATOM 203 CG TYR A 19 1.057 -3.687 -2.840 1.00 0.00 C ATOM 204 CD1 TYR A 19 1.602 -2.597 -3.557 1.00 0.00 C ATOM 205 CD2 TYR A 19 1.390 -5.013 -3.168 1.00 0.00 C ATOM 206 CE1 TYR A 19 2.509 -2.831 -4.602 1.00 0.00 C ATOM 207 CE2 TYR A 19 2.287 -5.264 -4.225 1.00 0.00 C ATOM 208 CZ TYR A 19 2.828 -4.162 -4.930 1.00 0.00 C ATOM 209 OH TYR A 19 3.698 -4.395 -5.955 1.00 0.00 O ATOM 0 H TYR A 19 0.682 -1.144 -1.246 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.343 -2.389 -2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.662 -3.300 -0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.467 -4.414 -1.500 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.321 -1.586 -3.301 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.961 -5.834 -2.613 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.952 -2.008 -5.143 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.556 -6.275 -4.492 1.00 0.00 H new ATOM 0 HH TYR A 19 3.823 -5.361 -6.065 1.00 0.00 H new ATOM 212 N HIS A 20 -1.971 -2.144 0.399 1.00 0.00 N ATOM 213 CA HIS A 20 -3.092 -2.136 1.379 1.00 0.00 C ATOM 214 C HIS A 20 -4.029 -0.907 1.266 1.00 0.00 C ATOM 215 O HIS A 20 -5.111 -0.868 1.851 1.00 0.00 O ATOM 216 CB HIS A 20 -2.606 -2.384 2.820 1.00 0.00 C ATOM 217 CG HIS A 20 -1.903 -1.263 3.599 1.00 0.00 C ATOM 218 ND1 HIS A 20 -2.202 0.040 3.600 1.00 0.00 N flip ATOM 219 CD2 HIS A 20 -0.981 -1.443 4.547 1.00 0.00 C flip ATOM 220 CE1 HIS A 20 -1.430 0.653 4.489 1.00 0.00 C flip ATOM 221 NE2 HIS A 20 -0.697 -0.269 5.101 1.00 0.00 N flip ATOM 0 H HIS A 20 -1.076 -1.845 0.786 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.719 -2.984 1.103 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.473 -2.691 3.406 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.924 -3.234 2.790 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.538 -2.389 4.820 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.403 1.716 4.681 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.035 -0.106 5.860 1.00 0.00 H new ATOM 225 N LEU A 21 -3.608 0.080 0.489 1.00 0.00 N ATOM 226 CA LEU A 21 -4.342 1.349 0.239 1.00 0.00 C ATOM 227 C LEU A 21 -5.597 1.122 -0.624 1.00 0.00 C ATOM 228 O LEU A 21 -6.702 1.457 -0.207 1.00 0.00 O ATOM 229 CB LEU A 21 -3.365 2.353 -0.383 1.00 0.00 C ATOM 230 CG LEU A 21 -4.025 3.580 -1.034 1.00 0.00 C ATOM 231 CD1 LEU A 21 -4.643 4.533 -0.013 1.00 0.00 C ATOM 232 CD2 LEU A 21 -3.013 4.300 -1.938 1.00 0.00 C ATOM 0 H LEU A 21 -2.719 0.035 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.714 1.756 1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.678 2.696 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.767 1.838 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.854 3.222 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.093 5.379 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.409 4.008 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.868 4.893 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.487 5.168 -2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.160 4.625 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.673 3.619 -2.718 1.00 0.00 H new ATOM 234 N GLU A 22 -5.386 0.467 -1.767 1.00 0.00 N ATOM 235 CA GLU A 22 -6.490 0.053 -2.657 1.00 0.00 C ATOM 236 C GLU A 22 -7.527 -0.828 -1.908 1.00 0.00 C ATOM 237 O GLU A 22 -8.721 -0.730 -2.151 1.00 0.00 O ATOM 238 CB GLU A 22 -5.874 -0.606 -3.894 1.00 0.00 C ATOM 239 CG GLU A 22 -6.882 -1.063 -4.962 1.00 0.00 C ATOM 240 CD GLU A 22 -7.603 -2.363 -4.558 1.00 0.00 C ATOM 241 OE1 GLU A 22 -7.023 -3.297 -4.032 1.00 0.00 O ATOM 242 OE2 GLU A 22 -8.927 -2.425 -4.807 1.00 0.00 O ATOM 0 H GLU A 22 -4.459 0.208 -2.106 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.069 0.915 -2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.177 0.097 -4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.291 -1.470 -3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.618 -0.276 -5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.363 -1.216 -5.908 1.00 0.00 H new ATOM 245 N ASN A 23 -7.042 -1.546 -0.893 1.00 0.00 N ATOM 246 CA ASN A 23 -7.888 -2.393 -0.019 1.00 0.00 C ATOM 247 C ASN A 23 -8.948 -1.555 0.745 1.00 0.00 C ATOM 248 O ASN A 23 -10.133 -1.856 0.669 1.00 0.00 O ATOM 249 CB ASN A 23 -6.999 -3.124 0.968 1.00 0.00 C ATOM 250 CG ASN A 23 -7.452 -4.567 1.173 1.00 0.00 C ATOM 251 OD1 ASN A 23 -8.522 -4.856 1.679 1.00 0.00 O ATOM 252 ND2 ASN A 23 -6.639 -5.482 0.717 1.00 0.00 N ATOM 0 H ASN A 23 -6.053 -1.563 -0.646 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.425 -3.105 -0.646 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.970 -3.113 0.609 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.008 -2.600 1.924 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.894 -6.468 0.780 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.749 -5.211 0.298 1.00 0.00 H new ATOM 256 N GLU A 24 -8.513 -0.439 1.320 1.00 0.00 N ATOM 257 CA GLU A 24 -9.411 0.505 2.028 1.00 0.00 C ATOM 258 C GLU A 24 -10.506 1.067 1.088 1.00 0.00 C ATOM 259 O GLU A 24 -11.672 1.047 1.438 1.00 0.00 O ATOM 260 CB GLU A 24 -8.594 1.655 2.630 1.00 0.00 C ATOM 261 CG GLU A 24 -9.449 2.502 3.582 1.00 0.00 C ATOM 262 CD GLU A 24 -8.899 2.528 5.011 1.00 0.00 C ATOM 263 OE1 GLU A 24 -9.002 3.509 5.729 1.00 0.00 O ATOM 264 OE2 GLU A 24 -8.284 1.406 5.460 1.00 0.00 O ATOM 0 H GLU A 24 -7.534 -0.152 1.316 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.909 -0.045 2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.736 1.253 3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.203 2.284 1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.506 3.522 3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.466 2.109 3.596 1.00 0.00 H new ATOM 267 N VAL A 25 -10.066 1.556 -0.073 1.00 0.00 N ATOM 268 CA VAL A 25 -10.956 1.965 -1.190 1.00 0.00 C ATOM 269 C VAL A 25 -12.099 0.940 -1.416 1.00 0.00 C ATOM 270 O VAL A 25 -13.213 1.363 -1.457 1.00 0.00 O ATOM 271 CB VAL A 25 -10.157 2.262 -2.473 1.00 0.00 C ATOM 272 CG1 VAL A 25 -11.043 2.565 -3.684 1.00 0.00 C ATOM 273 CG2 VAL A 25 -9.242 3.471 -2.250 1.00 0.00 C ATOM 0 H VAL A 25 -9.075 1.685 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.436 2.901 -0.904 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.587 1.358 -2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.416 2.765 -4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.684 1.708 -3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.661 3.438 -3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.680 3.675 -3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.846 4.342 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.549 3.257 -1.437 1.00 0.00 H new ATOM 275 N ALA A 26 -11.787 -0.362 -1.324 1.00 0.00 N ATOM 276 CA ALA A 26 -12.810 -1.425 -1.434 1.00 0.00 C ATOM 277 C ALA A 26 -13.815 -1.430 -0.254 1.00 0.00 C ATOM 278 O ALA A 26 -15.005 -1.267 -0.511 1.00 0.00 O ATOM 279 CB ALA A 26 -12.135 -2.790 -1.592 1.00 0.00 C ATOM 0 H ALA A 26 -10.839 -0.708 -1.174 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.399 -1.210 -2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.897 -3.566 -1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.521 -2.790 -2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.506 -2.988 -0.724 1.00 0.00 H new ATOM 281 N ARG A 27 -13.339 -1.504 0.985 1.00 0.00 N ATOM 282 CA ARG A 27 -14.200 -1.383 2.191 1.00 0.00 C ATOM 283 C ARG A 27 -15.086 -0.098 2.146 1.00 0.00 C ATOM 284 O ARG A 27 -16.279 -0.182 2.394 1.00 0.00 O ATOM 285 CB ARG A 27 -13.366 -1.498 3.464 1.00 0.00 C ATOM 286 CG ARG A 27 -14.116 -1.372 4.801 1.00 0.00 C ATOM 287 CD ARG A 27 -15.348 -2.275 4.960 1.00 0.00 C ATOM 288 NE ARG A 27 -16.508 -1.365 5.044 1.00 0.00 N ATOM 289 CZ ARG A 27 -17.443 -1.335 5.994 1.00 0.00 C ATOM 290 NH1 ARG A 27 -17.752 -2.383 6.741 1.00 0.00 N ATOM 291 NH2 ARG A 27 -17.852 -0.151 6.422 1.00 0.00 N ATOM 0 H ARG A 27 -12.352 -1.649 1.197 1.00 0.00 H new ATOM 0 HA ARG A 27 -14.900 -2.218 2.198 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.857 -2.462 3.450 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -12.594 -0.729 3.434 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -13.419 -1.593 5.610 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -14.430 -0.335 4.925 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -15.446 -2.955 4.114 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -15.268 -2.890 5.856 1.00 0.00 H new ATOM 0 HE ARG A 27 -16.605 -0.683 4.291 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -17.266 -3.269 6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -18.477 -2.305 7.455 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -17.453 0.700 6.026 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -18.566 -0.090 7.148 1.00 0.00 H new ATOM 298 N LEU A 28 -14.516 0.983 1.655 1.00 0.00 N ATOM 299 CA LEU A 28 -15.216 2.261 1.383 1.00 0.00 C ATOM 300 C LEU A 28 -16.232 2.131 0.221 1.00 0.00 C ATOM 301 O LEU A 28 -17.415 2.472 0.391 1.00 0.00 O ATOM 302 CB LEU A 28 -14.110 3.301 1.115 1.00 0.00 C ATOM 303 CG LEU A 28 -14.526 4.487 0.231 1.00 0.00 C ATOM 304 CD1 LEU A 28 -15.459 5.447 0.979 1.00 0.00 C ATOM 305 CD2 LEU A 28 -13.284 5.226 -0.271 1.00 0.00 C ATOM 0 H LEU A 28 -13.524 1.017 1.421 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.827 2.572 2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.758 3.688 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.266 2.797 0.645 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.077 4.095 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.733 6.273 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.359 4.914 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.950 5.837 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.588 6.065 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.712 5.596 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.666 4.544 -0.854 1.00 0.00 H new ATOM 307 N LYS A 29 -15.782 1.689 -0.918 1.00 0.00 N ATOM 308 CA LYS A 29 -16.560 1.516 -2.155 1.00 0.00 C ATOM 309 C LYS A 29 -17.741 0.553 -1.904 1.00 0.00 C ATOM 310 O LYS A 29 -18.811 0.819 -2.417 1.00 0.00 O ATOM 311 CB LYS A 29 -15.692 0.986 -3.293 1.00 0.00 C ATOM 312 CG LYS A 29 -16.042 1.547 -4.687 1.00 0.00 C ATOM 313 CD LYS A 29 -17.505 1.327 -5.071 1.00 0.00 C ATOM 314 CE LYS A 29 -17.900 1.780 -6.479 1.00 0.00 C ATOM 315 NZ LYS A 29 -17.533 3.187 -6.700 1.00 0.00 N ATOM 0 H LYS A 29 -14.806 1.418 -1.036 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.941 2.494 -2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.650 1.218 -3.075 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.778 -0.100 -3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.824 2.615 -4.708 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.402 1.076 -5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.730 0.265 -4.975 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -18.133 1.852 -4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -17.407 1.151 -7.220 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -18.974 1.654 -6.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.900 3.501 -7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.941 3.775 -5.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.497 3.281 -6.690 1.00 0.00 H new ATOM 320 N LYS A 30 -17.603 -0.411 -1.009 1.00 0.00 N ATOM 321 CA LYS A 30 -18.735 -1.282 -0.617 1.00 0.00 C ATOM 322 C LYS A 30 -19.973 -0.446 -0.165 1.00 0.00 C ATOM 323 O LYS A 30 -21.070 -0.686 -0.642 1.00 0.00 O ATOM 324 CB LYS A 30 -18.247 -2.381 0.345 1.00 0.00 C ATOM 325 CG LYS A 30 -18.521 -2.265 1.854 1.00 0.00 C ATOM 326 CD LYS A 30 -19.979 -2.597 2.192 1.00 0.00 C ATOM 327 CE LYS A 30 -20.199 -2.995 3.647 1.00 0.00 C ATOM 328 NZ LYS A 30 -19.900 -1.900 4.585 1.00 0.00 N ATOM 0 H LYS A 30 -16.726 -0.622 -0.532 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.118 -1.827 -1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -18.683 -3.322 0.009 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -17.168 -2.466 0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -17.859 -2.939 2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -18.291 -1.254 2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -20.601 -1.731 1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -20.315 -3.410 1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -21.234 -3.311 3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -19.570 -3.853 3.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -19.683 -2.295 5.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -19.081 -1.360 4.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -20.724 -1.270 4.657 1.00 0.00 H new ATOM 333 N LEU A 31 -19.689 0.683 0.492 1.00 0.00 N ATOM 334 CA LEU A 31 -20.716 1.656 0.897 1.00 0.00 C ATOM 335 C LEU A 31 -21.300 2.427 -0.310 1.00 0.00 C ATOM 336 O LEU A 31 -22.510 2.460 -0.469 1.00 0.00 O ATOM 337 CB LEU A 31 -20.195 2.663 1.942 1.00 0.00 C ATOM 338 CG LEU A 31 -19.911 1.992 3.299 1.00 0.00 C ATOM 339 CD1 LEU A 31 -18.454 1.555 3.418 1.00 0.00 C ATOM 340 CD2 LEU A 31 -20.250 2.946 4.438 1.00 0.00 C ATOM 0 H LEU A 31 -18.742 0.951 0.759 1.00 0.00 H new ATOM 0 HA LEU A 31 -21.510 1.064 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -19.283 3.131 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -20.929 3.458 2.077 1.00 0.00 H new ATOM 0 HG LEU A 31 -20.539 1.103 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -18.293 1.086 4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -18.222 0.841 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -17.804 2.425 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -20.045 2.461 5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -19.642 3.847 4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -21.305 3.214 4.386 1.00 0.00 H new ATOM 342 N VAL A 32 -20.446 2.817 -1.244 1.00 0.00 N ATOM 343 CA VAL A 32 -20.854 3.489 -2.523 1.00 0.00 C ATOM 344 C VAL A 32 -21.298 2.452 -3.597 1.00 0.00 C ATOM 345 O VAL A 32 -21.676 2.829 -4.716 1.00 0.00 O ATOM 346 CB VAL A 32 -19.711 4.418 -2.977 1.00 0.00 C ATOM 347 CG1 VAL A 32 -19.991 5.189 -4.275 1.00 0.00 C ATOM 348 CG2 VAL A 32 -19.391 5.483 -1.903 1.00 0.00 C ATOM 0 H VAL A 32 -19.438 2.687 -1.160 1.00 0.00 H new ATOM 0 HA VAL A 32 -21.737 4.108 -2.363 1.00 0.00 H new ATOM 0 HB VAL A 32 -18.878 3.735 -3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -19.133 5.817 -4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -20.165 4.483 -5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -20.873 5.815 -4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -18.581 6.122 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -20.277 6.090 -1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -19.089 4.989 -0.979 1.00 0.00 H new ATOM 350 N GLY A 33 -21.386 1.198 -3.210 1.00 0.00 N ATOM 351 CA GLY A 33 -21.795 0.064 -4.076 1.00 0.00 C ATOM 352 C GLY A 33 -23.314 -0.153 -4.022 1.00 0.00 C ATOM 353 O GLY A 33 -23.932 -0.490 -5.029 1.00 0.00 O ATOM 0 H GLY A 33 -21.172 0.908 -2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -21.489 0.258 -5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -21.283 -0.844 -3.757 1.00 0.00 H new ATOM 355 N GLU A 34 -23.838 -0.064 -2.813 1.00 0.00 N ATOM 356 CA GLU A 34 -25.294 -0.170 -2.549 1.00 0.00 C ATOM 357 C GLU A 34 -25.919 0.955 -1.686 1.00 0.00 C ATOM 358 O GLU A 34 -27.080 0.868 -1.301 1.00 0.00 O ATOM 359 CB GLU A 34 -25.625 -1.529 -1.949 1.00 0.00 C ATOM 360 CG GLU A 34 -25.939 -2.552 -3.039 1.00 0.00 C ATOM 361 CD GLU A 34 -26.970 -3.578 -2.578 1.00 0.00 C ATOM 362 OE1 GLU A 34 -26.928 -4.753 -2.905 1.00 0.00 O ATOM 363 OE2 GLU A 34 -27.980 -3.132 -1.800 1.00 0.00 O ATOM 0 H GLU A 34 -23.279 0.084 -1.973 1.00 0.00 H new ATOM 0 HA GLU A 34 -25.752 -0.049 -3.531 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -24.785 -1.879 -1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -26.479 -1.435 -1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -26.311 -2.036 -3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -25.022 -3.065 -3.330 1.00 0.00 H new ATOM 366 N ARG A 35 -25.167 2.031 -1.482 1.00 0.00 N ATOM 367 CA ARG A 35 -25.556 3.224 -0.680 1.00 0.00 C ATOM 368 C ARG A 35 -26.270 2.870 0.644 1.00 0.00 C ATOM 369 O ARG A 35 -25.528 2.526 1.610 1.00 0.00 O ATOM 370 CB ARG A 35 -26.350 4.284 -1.465 1.00 0.00 C ATOM 371 CG ARG A 35 -25.995 4.500 -2.946 1.00 0.00 C ATOM 372 CD ARG A 35 -26.829 3.533 -3.794 1.00 0.00 C ATOM 373 NE ARG A 35 -26.720 3.623 -5.260 1.00 0.00 N ATOM 374 CZ ARG A 35 -25.645 3.509 -6.040 1.00 0.00 C ATOM 375 NH1 ARG A 35 -24.410 3.736 -5.616 1.00 0.00 N ATOM 376 NH2 ARG A 35 -25.741 2.719 -7.101 1.00 0.00 N ATOM 377 OXT ARG A 35 -27.512 2.925 0.705 1.00 0.00 O ATOM 0 H ARG A 35 -24.231 2.116 -1.878 1.00 0.00 H new ATOM 0 HA ARG A 35 -24.600 3.680 -0.424 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -27.406 4.019 -1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -26.233 5.238 -0.951 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -26.198 5.531 -3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -24.931 4.326 -3.110 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -26.561 2.518 -3.502 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -27.877 3.675 -3.528 1.00 0.00 H new ATOM 0 HE ARG A 35 -27.597 3.798 -5.751 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -24.246 4.013 -4.648 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -23.624 3.633 -6.257 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -26.614 2.227 -7.293 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -24.942 2.603 -7.725 1.00 0.00 H new TER 384 ARG A 35