USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 86 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ -160:sc=0.000693 (180deg=0) USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 4 MET CE :methyl 157:sc= -2.07! (180deg=-2.61) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.397 X(o=-0.4,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 160:sc= -0.134 USER MOD Single : A 17 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0231) USER MOD Single : A 18 ASN : amide:sc= -0.574 X(o=-0.57,f=-0.2) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -1.09 F(o=-2.1,f=-1.1) USER MOD Single : A 23 ASN : amide:sc= -1.94 K(o=-1.9,f=-5.4!) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= -0.0488 (180deg=-0.34) USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00256) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 27.941 1.320 -5.734 1.00 0.00 N ATOM 2 CA LEU A 1 27.018 2.359 -6.246 1.00 0.00 C ATOM 3 C LEU A 1 25.549 1.851 -6.291 1.00 0.00 C ATOM 4 O LEU A 1 25.262 0.778 -5.775 1.00 0.00 O ATOM 5 CB LEU A 1 27.536 2.772 -7.640 1.00 0.00 C ATOM 6 CG LEU A 1 27.894 4.261 -7.673 1.00 0.00 C ATOM 7 CD1 LEU A 1 28.953 4.507 -8.739 1.00 0.00 C ATOM 8 CD2 LEU A 1 26.658 5.117 -7.983 1.00 0.00 C ATOM 0 H1 LEU A 1 28.817 1.769 -5.399 1.00 0.00 H new ATOM 0 H2 LEU A 1 27.490 0.812 -4.947 1.00 0.00 H new ATOM 0 H3 LEU A 1 28.165 0.649 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 1 27.002 3.222 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 1 28.413 2.178 -7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 1 26.776 2.560 -8.392 1.00 0.00 H new ATOM 0 HG LEU A 1 28.277 4.543 -6.692 1.00 0.00 H new ATOM 0 HD11 LEU A 1 29.207 5.567 -8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 1 29.845 3.925 -8.507 1.00 0.00 H new ATOM 0 HD13 LEU A 1 28.566 4.206 -9.712 1.00 0.00 H new ATOM 0 HD21 LEU A 1 26.940 6.170 -8.001 1.00 0.00 H new ATOM 0 HD22 LEU A 1 26.253 4.833 -8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 1 25.902 4.956 -7.214 1.00 0.00 H new ATOM 12 N GLN A 2 24.690 2.569 -7.017 1.00 0.00 N ATOM 13 CA GLN A 2 23.245 2.235 -7.223 1.00 0.00 C ATOM 14 C GLN A 2 22.490 2.196 -5.886 1.00 0.00 C ATOM 15 O GLN A 2 22.596 1.268 -5.093 1.00 0.00 O ATOM 16 CB GLN A 2 23.038 0.901 -7.952 1.00 0.00 C ATOM 17 CG GLN A 2 23.857 0.766 -9.240 1.00 0.00 C ATOM 18 CD GLN A 2 24.774 -0.475 -9.225 1.00 0.00 C ATOM 19 OE1 GLN A 2 25.625 -0.622 -8.239 1.00 0.00 O flip ATOM 20 NE2 GLN A 2 24.689 -1.343 -10.083 1.00 0.00 N flip ATOM 0 H GLN A 2 24.969 3.424 -7.498 1.00 0.00 H new ATOM 0 HA GLN A 2 22.845 3.029 -7.853 1.00 0.00 H new ATOM 0 HB2 GLN A 2 23.301 0.085 -7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 2 21.981 0.789 -8.192 1.00 0.00 H new ATOM 0 HG2 GLN A 2 23.181 0.705 -10.093 1.00 0.00 H new ATOM 0 HG3 GLN A 2 24.463 1.661 -9.378 1.00 0.00 H new ATOM 0 HE21 GLN A 2 24.029 -1.236 -10.853 1.00 0.00 H new ATOM 0 HE22 GLN A 2 25.278 -2.174 -10.028 1.00 0.00 H new ATOM 24 N ARG A 3 21.571 3.137 -5.750 1.00 0.00 N ATOM 25 CA ARG A 3 20.750 3.212 -4.520 1.00 0.00 C ATOM 26 C ARG A 3 19.490 2.329 -4.518 1.00 0.00 C ATOM 27 O ARG A 3 18.808 2.230 -3.500 1.00 0.00 O ATOM 28 CB ARG A 3 20.471 4.657 -4.128 1.00 0.00 C ATOM 29 CG ARG A 3 21.720 5.269 -3.498 1.00 0.00 C ATOM 30 CD ARG A 3 21.377 6.254 -2.371 1.00 0.00 C ATOM 31 NE ARG A 3 20.935 7.554 -2.876 1.00 0.00 N ATOM 32 CZ ARG A 3 20.233 8.463 -2.196 1.00 0.00 C ATOM 33 NH1 ARG A 3 19.731 8.217 -0.993 1.00 0.00 N ATOM 34 NH2 ARG A 3 20.162 9.717 -2.626 1.00 0.00 N ATOM 0 H ARG A 3 21.366 3.851 -6.449 1.00 0.00 H new ATOM 0 HA ARG A 3 21.363 2.768 -3.736 1.00 0.00 H new ATOM 0 HB2 ARG A 3 20.176 5.232 -5.006 1.00 0.00 H new ATOM 0 HB3 ARG A 3 19.639 4.699 -3.425 1.00 0.00 H new ATOM 0 HG2 ARG A 3 22.353 4.474 -3.104 1.00 0.00 H new ATOM 0 HG3 ARG A 3 22.297 5.784 -4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 3 20.594 5.826 -1.745 1.00 0.00 H new ATOM 0 HD3 ARG A 3 22.252 6.393 -1.736 1.00 0.00 H new ATOM 0 HE ARG A 3 21.187 7.787 -3.837 1.00 0.00 H new ATOM 0 HH11 ARG A 3 19.876 7.307 -0.556 1.00 0.00 H new ATOM 0 HH12 ARG A 3 19.200 8.938 -0.505 1.00 0.00 H new ATOM 0 HH21 ARG A 3 20.646 9.991 -3.481 1.00 0.00 H new ATOM 0 HH22 ARG A 3 19.624 10.406 -2.101 1.00 0.00 H new ATOM 41 N MET A 4 19.489 1.397 -5.473 1.00 0.00 N ATOM 42 CA MET A 4 18.379 0.446 -5.710 1.00 0.00 C ATOM 43 C MET A 4 18.387 -0.752 -4.741 1.00 0.00 C ATOM 44 O MET A 4 17.617 -1.678 -4.905 1.00 0.00 O ATOM 45 CB MET A 4 18.417 -0.037 -7.160 1.00 0.00 C ATOM 46 CG MET A 4 18.275 1.088 -8.192 1.00 0.00 C ATOM 47 SD MET A 4 16.794 2.150 -7.975 1.00 0.00 S ATOM 48 CE MET A 4 17.528 3.588 -7.211 1.00 0.00 C ATOM 0 H MET A 4 20.268 1.272 -6.119 1.00 0.00 H new ATOM 0 HA MET A 4 17.450 0.984 -5.520 1.00 0.00 H new ATOM 0 HB2 MET A 4 19.357 -0.560 -7.334 1.00 0.00 H new ATOM 0 HB3 MET A 4 17.616 -0.761 -7.313 1.00 0.00 H new ATOM 0 HG2 MET A 4 19.165 1.716 -8.148 1.00 0.00 H new ATOM 0 HG3 MET A 4 18.245 0.646 -9.188 1.00 0.00 H new ATOM 0 HE1 MET A 4 16.890 4.455 -7.380 1.00 0.00 H new ATOM 0 HE2 MET A 4 17.632 3.418 -6.139 1.00 0.00 H new ATOM 0 HE3 MET A 4 18.511 3.770 -7.647 1.00 0.00 H new ATOM 50 N LYS A 5 19.250 -0.661 -3.743 1.00 0.00 N ATOM 51 CA LYS A 5 19.388 -1.677 -2.681 1.00 0.00 C ATOM 52 C LYS A 5 18.907 -1.148 -1.301 1.00 0.00 C ATOM 53 O LYS A 5 18.275 -1.863 -0.534 1.00 0.00 O ATOM 54 CB LYS A 5 20.841 -2.155 -2.608 1.00 0.00 C ATOM 55 CG LYS A 5 21.471 -2.611 -3.949 1.00 0.00 C ATOM 56 CD LYS A 5 20.607 -3.589 -4.747 1.00 0.00 C ATOM 57 CE LYS A 5 21.408 -4.523 -5.664 1.00 0.00 C ATOM 58 NZ LYS A 5 22.214 -3.816 -6.673 1.00 0.00 N ATOM 0 H LYS A 5 19.889 0.127 -3.635 1.00 0.00 H new ATOM 0 HA LYS A 5 18.746 -2.520 -2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 5 21.449 -1.348 -2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 5 20.896 -2.984 -1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 5 21.667 -1.732 -4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 5 22.434 -3.078 -3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 5 20.022 -4.192 -4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 5 19.899 -3.023 -5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 5 22.067 -5.140 -5.053 1.00 0.00 H new ATOM 0 HE3 LYS A 5 20.719 -5.198 -6.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 22.727 -4.509 -7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 21.589 -3.248 -7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 22.896 -3.191 -6.197 1.00 0.00 H new ATOM 63 N GLN A 6 19.068 0.165 -1.113 1.00 0.00 N ATOM 64 CA GLN A 6 18.594 0.897 0.079 1.00 0.00 C ATOM 65 C GLN A 6 17.223 1.555 -0.128 1.00 0.00 C ATOM 66 O GLN A 6 16.313 1.361 0.663 1.00 0.00 O ATOM 67 CB GLN A 6 19.609 1.969 0.463 1.00 0.00 C ATOM 68 CG GLN A 6 20.701 1.417 1.385 1.00 0.00 C ATOM 69 CD GLN A 6 21.938 2.299 1.501 1.00 0.00 C ATOM 70 OE1 GLN A 6 23.001 1.872 1.924 1.00 0.00 O ATOM 71 NE2 GLN A 6 21.877 3.571 1.118 1.00 0.00 N ATOM 0 H GLN A 6 19.538 0.764 -1.792 1.00 0.00 H new ATOM 0 HA GLN A 6 18.486 0.162 0.877 1.00 0.00 H new ATOM 0 HB2 GLN A 6 20.067 2.376 -0.439 1.00 0.00 H new ATOM 0 HB3 GLN A 6 19.097 2.793 0.960 1.00 0.00 H new ATOM 0 HG2 GLN A 6 20.279 1.272 2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 6 21.004 0.435 1.021 1.00 0.00 H new ATOM 0 HE21 GLN A 6 21.002 3.955 0.761 1.00 0.00 H new ATOM 0 HE22 GLN A 6 22.705 4.163 1.182 1.00 0.00 H new ATOM 75 N LEU A 7 17.074 2.245 -1.267 1.00 0.00 N ATOM 76 CA LEU A 7 15.783 2.848 -1.657 1.00 0.00 C ATOM 77 C LEU A 7 14.699 1.767 -1.810 1.00 0.00 C ATOM 78 O LEU A 7 13.573 2.012 -1.393 1.00 0.00 O ATOM 79 CB LEU A 7 15.861 3.643 -2.957 1.00 0.00 C ATOM 80 CG LEU A 7 16.827 4.831 -2.868 1.00 0.00 C ATOM 81 CD1 LEU A 7 16.870 5.538 -4.230 1.00 0.00 C ATOM 82 CD2 LEU A 7 16.434 5.859 -1.796 1.00 0.00 C ATOM 0 H LEU A 7 17.827 2.402 -1.936 1.00 0.00 H new ATOM 0 HA LEU A 7 15.525 3.538 -0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.178 2.982 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.867 4.007 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 7 17.800 4.428 -2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.554 6.385 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.214 4.839 -4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 7 15.872 5.893 -4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 7 17.160 6.672 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 7 15.445 6.258 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 7 16.418 5.377 -0.818 1.00 0.00 H new ATOM 84 N GLU A 8 15.093 0.576 -2.243 1.00 0.00 N ATOM 85 CA GLU A 8 14.200 -0.598 -2.231 1.00 0.00 C ATOM 86 C GLU A 8 13.608 -0.897 -0.850 1.00 0.00 C ATOM 87 O GLU A 8 12.402 -0.944 -0.768 1.00 0.00 O ATOM 88 CB GLU A 8 14.863 -1.859 -2.774 1.00 0.00 C ATOM 89 CG GLU A 8 14.610 -1.984 -4.279 1.00 0.00 C ATOM 90 CD GLU A 8 15.142 -3.302 -4.858 1.00 0.00 C ATOM 91 OE1 GLU A 8 14.682 -3.774 -5.890 1.00 0.00 O ATOM 92 OE2 GLU A 8 16.105 -3.963 -4.187 1.00 0.00 O ATOM 0 H GLU A 8 16.026 0.387 -2.610 1.00 0.00 H new ATOM 0 HA GLU A 8 13.386 -0.316 -2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.935 -1.827 -2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.471 -2.736 -2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.539 -1.913 -4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.083 -1.148 -4.794 1.00 0.00 H new ATOM 95 N ASP A 9 14.407 -0.796 0.217 1.00 0.00 N ATOM 96 CA ASP A 9 13.912 -0.988 1.597 1.00 0.00 C ATOM 97 C ASP A 9 12.950 0.148 2.052 1.00 0.00 C ATOM 98 O ASP A 9 11.927 -0.129 2.669 1.00 0.00 O ATOM 99 CB ASP A 9 15.134 -1.115 2.517 1.00 0.00 C ATOM 100 CG ASP A 9 14.805 -1.907 3.790 1.00 0.00 C ATOM 101 OD1 ASP A 9 14.800 -3.132 3.827 1.00 0.00 O ATOM 102 OD2 ASP A 9 14.518 -1.181 4.889 1.00 0.00 O ATOM 0 H ASP A 9 15.403 -0.582 0.158 1.00 0.00 H new ATOM 0 HA ASP A 9 13.312 -1.897 1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.944 -1.609 1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 9 15.490 -0.121 2.788 1.00 0.00 H new ATOM 105 N LYS A 10 13.217 1.358 1.562 1.00 0.00 N ATOM 106 CA LYS A 10 12.370 2.562 1.772 1.00 0.00 C ATOM 107 C LYS A 10 11.033 2.484 0.991 1.00 0.00 C ATOM 108 O LYS A 10 9.971 2.731 1.528 1.00 0.00 O ATOM 109 CB LYS A 10 13.193 3.810 1.444 1.00 0.00 C ATOM 110 CG LYS A 10 12.357 5.091 1.295 1.00 0.00 C ATOM 111 CD LYS A 10 13.144 6.351 1.647 1.00 0.00 C ATOM 112 CE LYS A 10 12.281 7.596 1.417 1.00 0.00 C ATOM 113 NZ LYS A 10 12.609 8.208 0.121 1.00 0.00 N ATOM 0 H LYS A 10 14.043 1.547 0.994 1.00 0.00 H new ATOM 0 HA LYS A 10 12.072 2.616 2.819 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.933 3.961 2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 10 13.742 3.637 0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.996 5.167 0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.479 5.024 1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.465 6.309 2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.046 6.407 1.038 1.00 0.00 H new ATOM 0 HE2 LYS A 10 11.225 7.326 1.443 1.00 0.00 H new ATOM 0 HE3 LYS A 10 12.446 8.315 2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 12.018 9.051 -0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 13.612 8.482 0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 12.429 7.524 -0.641 1.00 0.00 H new ATOM 118 N VAL A 11 11.140 2.168 -0.295 1.00 0.00 N ATOM 119 CA VAL A 11 9.988 1.982 -1.202 1.00 0.00 C ATOM 120 C VAL A 11 9.187 0.700 -0.868 1.00 0.00 C ATOM 121 O VAL A 11 7.972 0.718 -0.974 1.00 0.00 O ATOM 122 CB VAL A 11 10.468 2.084 -2.656 1.00 0.00 C ATOM 123 CG1 VAL A 11 9.438 1.673 -3.710 1.00 0.00 C ATOM 124 CG2 VAL A 11 10.873 3.529 -2.958 1.00 0.00 C ATOM 0 H VAL A 11 12.040 2.029 -0.755 1.00 0.00 H new ATOM 0 HA VAL A 11 9.264 2.783 -1.053 1.00 0.00 H new ATOM 0 HB VAL A 11 11.299 1.382 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.872 1.780 -4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.149 0.634 -3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.558 2.311 -3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.214 3.603 -3.991 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.015 4.185 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.678 3.829 -2.287 1.00 0.00 H new ATOM 126 N GLU A 12 9.870 -0.317 -0.361 1.00 0.00 N ATOM 127 CA GLU A 12 9.251 -1.577 0.106 1.00 0.00 C ATOM 128 C GLU A 12 8.170 -1.314 1.169 1.00 0.00 C ATOM 129 O GLU A 12 7.016 -1.669 0.915 1.00 0.00 O ATOM 130 CB GLU A 12 10.288 -2.577 0.620 1.00 0.00 C ATOM 131 CG GLU A 12 9.742 -3.858 1.256 1.00 0.00 C ATOM 132 CD GLU A 12 8.866 -4.743 0.359 1.00 0.00 C ATOM 133 OE1 GLU A 12 8.058 -4.324 -0.464 1.00 0.00 O ATOM 134 OE2 GLU A 12 8.936 -6.061 0.582 1.00 0.00 O ATOM 0 H GLU A 12 10.884 -0.303 -0.256 1.00 0.00 H new ATOM 0 HA GLU A 12 8.770 -2.027 -0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.934 -2.857 -0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.915 -2.072 1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.586 -4.453 1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.161 -3.582 2.136 1.00 0.00 H new ATOM 137 N GLU A 13 8.530 -0.585 2.211 1.00 0.00 N ATOM 138 CA GLU A 13 7.570 -0.195 3.271 1.00 0.00 C ATOM 139 C GLU A 13 6.402 0.663 2.746 1.00 0.00 C ATOM 140 O GLU A 13 5.304 0.617 3.282 1.00 0.00 O ATOM 141 CB GLU A 13 8.281 0.456 4.468 1.00 0.00 C ATOM 142 CG GLU A 13 8.935 1.814 4.218 1.00 0.00 C ATOM 143 CD GLU A 13 8.136 3.025 4.720 1.00 0.00 C ATOM 144 OE1 GLU A 13 6.979 2.959 5.122 1.00 0.00 O ATOM 145 OE2 GLU A 13 8.804 4.189 4.779 1.00 0.00 O ATOM 0 H GLU A 13 9.479 -0.242 2.361 1.00 0.00 H new ATOM 0 HA GLU A 13 7.116 -1.119 3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.556 0.570 5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.048 -0.232 4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.915 1.821 4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.102 1.928 3.147 1.00 0.00 H new ATOM 148 N LEU A 14 6.647 1.350 1.621 1.00 0.00 N ATOM 149 CA LEU A 14 5.591 2.100 0.918 1.00 0.00 C ATOM 150 C LEU A 14 4.684 1.125 0.168 1.00 0.00 C ATOM 151 O LEU A 14 3.572 0.941 0.623 1.00 0.00 O ATOM 152 CB LEU A 14 6.126 3.155 -0.061 1.00 0.00 C ATOM 153 CG LEU A 14 7.148 4.121 0.568 1.00 0.00 C ATOM 154 CD1 LEU A 14 7.555 5.140 -0.495 1.00 0.00 C ATOM 155 CD2 LEU A 14 6.621 4.839 1.819 1.00 0.00 C ATOM 0 H LEU A 14 7.564 1.403 1.178 1.00 0.00 H new ATOM 0 HA LEU A 14 5.036 2.641 1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.590 2.650 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.288 3.731 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 14 8.004 3.534 0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.280 5.836 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.002 4.622 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.675 5.690 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.392 5.503 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.738 5.422 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.358 4.102 2.578 1.00 0.00 H new ATOM 157 N LEU A 15 5.216 0.375 -0.798 1.00 0.00 N ATOM 158 CA LEU A 15 4.448 -0.588 -1.613 1.00 0.00 C ATOM 159 C LEU A 15 3.697 -1.619 -0.757 1.00 0.00 C ATOM 160 O LEU A 15 2.482 -1.694 -0.878 1.00 0.00 O ATOM 161 CB LEU A 15 5.310 -1.341 -2.628 1.00 0.00 C ATOM 162 CG LEU A 15 6.251 -0.456 -3.451 1.00 0.00 C ATOM 163 CD1 LEU A 15 6.925 -1.308 -4.520 1.00 0.00 C ATOM 164 CD2 LEU A 15 5.592 0.775 -4.095 1.00 0.00 C ATOM 0 H LEU A 15 6.205 0.414 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 15 3.729 0.030 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.904 -2.085 -2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.654 -1.883 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 15 6.977 -0.050 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.597 -0.686 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.494 -2.106 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.166 -1.742 -5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.340 1.336 -4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.799 0.452 -4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.169 1.410 -3.317 1.00 0.00 H new ATOM 166 N SER A 16 4.377 -2.236 0.214 1.00 0.00 N ATOM 167 CA SER A 16 3.776 -3.180 1.192 1.00 0.00 C ATOM 168 C SER A 16 2.484 -2.622 1.835 1.00 0.00 C ATOM 169 O SER A 16 1.488 -3.331 1.970 1.00 0.00 O ATOM 170 CB SER A 16 4.765 -3.520 2.313 1.00 0.00 C ATOM 171 OG SER A 16 5.069 -2.338 3.052 1.00 0.00 O ATOM 0 H SER A 16 5.378 -2.099 0.354 1.00 0.00 H new ATOM 0 HA SER A 16 3.527 -4.077 0.625 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.338 -4.275 2.973 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.677 -3.944 1.892 1.00 0.00 H new ATOM 0 HG SER A 16 5.425 -2.584 3.931 1.00 0.00 H new ATOM 174 N LYS A 17 2.501 -1.310 2.060 1.00 0.00 N ATOM 175 CA LYS A 17 1.363 -0.532 2.587 1.00 0.00 C ATOM 176 C LYS A 17 0.439 0.030 1.494 1.00 0.00 C ATOM 177 O LYS A 17 -0.761 -0.195 1.516 1.00 0.00 O ATOM 178 CB LYS A 17 1.855 0.553 3.539 1.00 0.00 C ATOM 179 CG LYS A 17 2.514 -0.084 4.778 1.00 0.00 C ATOM 180 CD LYS A 17 2.340 0.731 6.059 1.00 0.00 C ATOM 181 CE LYS A 17 3.473 1.733 6.334 1.00 0.00 C ATOM 182 NZ LYS A 17 3.476 2.824 5.356 1.00 0.00 N ATOM 0 H LYS A 17 3.324 -0.736 1.879 1.00 0.00 H new ATOM 0 HA LYS A 17 0.739 -1.228 3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.571 1.198 3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.020 1.183 3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.093 -1.078 4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.579 -0.215 4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.397 1.274 6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.265 0.046 6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.361 2.143 7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.432 1.216 6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.209 3.516 5.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.675 2.441 4.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.546 3.290 5.353 1.00 0.00 H new ATOM 187 N ASN A 18 0.997 0.623 0.444 1.00 0.00 N ATOM 188 CA ASN A 18 0.263 1.114 -0.739 1.00 0.00 C ATOM 189 C ASN A 18 -0.610 0.008 -1.393 1.00 0.00 C ATOM 190 O ASN A 18 -1.703 0.292 -1.882 1.00 0.00 O ATOM 191 CB ASN A 18 1.250 1.703 -1.753 1.00 0.00 C ATOM 192 CG ASN A 18 0.661 2.829 -2.609 1.00 0.00 C ATOM 193 OD1 ASN A 18 1.319 3.820 -2.902 1.00 0.00 O ATOM 194 ND2 ASN A 18 -0.584 2.726 -3.012 1.00 0.00 N ATOM 0 H ASN A 18 2.002 0.785 0.381 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.422 1.894 -0.407 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.121 2.083 -1.219 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.601 0.906 -2.409 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.003 3.471 -3.569 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.132 1.901 -2.768 1.00 0.00 H new ATOM 198 N TYR A 19 -0.139 -1.235 -1.316 1.00 0.00 N ATOM 199 CA TYR A 19 -0.882 -2.446 -1.700 1.00 0.00 C ATOM 200 C TYR A 19 -2.108 -2.669 -0.785 1.00 0.00 C ATOM 201 O TYR A 19 -3.233 -2.615 -1.266 1.00 0.00 O ATOM 202 CB TYR A 19 0.012 -3.695 -1.691 1.00 0.00 C ATOM 203 CG TYR A 19 0.963 -3.764 -2.900 1.00 0.00 C ATOM 204 CD1 TYR A 19 0.463 -3.555 -4.195 1.00 0.00 C ATOM 205 CD2 TYR A 19 2.323 -4.100 -2.670 1.00 0.00 C ATOM 206 CE1 TYR A 19 1.342 -3.657 -5.299 1.00 0.00 C ATOM 207 CE2 TYR A 19 3.198 -4.185 -3.760 1.00 0.00 C ATOM 208 CZ TYR A 19 2.700 -3.963 -5.063 1.00 0.00 C ATOM 209 OH TYR A 19 3.550 -4.023 -6.118 1.00 0.00 O ATOM 0 H TYR A 19 0.800 -1.440 -0.974 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.231 -2.286 -2.720 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.599 -3.708 -0.773 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.617 -4.585 -1.680 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.580 -3.319 -4.347 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.678 -4.288 -1.667 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.980 -3.503 -6.305 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.241 -4.418 -3.606 1.00 0.00 H new ATOM 0 HH TYR A 19 4.451 -4.242 -5.800 1.00 0.00 H new ATOM 212 N HIS A 20 -1.883 -2.640 0.523 1.00 0.00 N ATOM 213 CA HIS A 20 -2.990 -2.753 1.491 1.00 0.00 C ATOM 214 C HIS A 20 -3.906 -1.501 1.494 1.00 0.00 C ATOM 215 O HIS A 20 -4.998 -1.560 2.025 1.00 0.00 O ATOM 216 CB HIS A 20 -2.529 -3.143 2.906 1.00 0.00 C ATOM 217 CG HIS A 20 -1.863 -2.094 3.807 1.00 0.00 C ATOM 218 ND1 HIS A 20 -2.189 -0.820 3.966 1.00 0.00 N flip ATOM 219 CD2 HIS A 20 -0.946 -2.370 4.735 1.00 0.00 C flip ATOM 220 CE1 HIS A 20 -1.439 -0.296 4.932 1.00 0.00 C flip ATOM 221 NE2 HIS A 20 -0.730 -1.283 5.455 1.00 0.00 N flip ATOM 0 H HIS A 20 -0.959 -2.541 0.944 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.598 -3.587 1.140 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.401 -3.523 3.439 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.831 -3.974 2.803 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.460 -3.324 4.875 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.414 0.741 5.233 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.122 -1.217 6.272 1.00 0.00 H new ATOM 225 N LEU A 21 -3.460 -0.390 0.906 1.00 0.00 N ATOM 226 CA LEU A 21 -4.255 0.848 0.767 1.00 0.00 C ATOM 227 C LEU A 21 -5.486 0.659 -0.155 1.00 0.00 C ATOM 228 O LEU A 21 -6.560 1.165 0.141 1.00 0.00 O ATOM 229 CB LEU A 21 -3.315 1.962 0.288 1.00 0.00 C ATOM 230 CG LEU A 21 -4.001 3.218 -0.264 1.00 0.00 C ATOM 231 CD1 LEU A 21 -4.717 4.029 0.821 1.00 0.00 C ATOM 232 CD2 LEU A 21 -2.971 4.085 -0.992 1.00 0.00 C ATOM 0 H LEU A 21 -2.525 -0.316 0.505 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.678 1.125 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.675 2.256 1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.664 1.556 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.771 2.891 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.184 4.906 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.482 3.412 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.995 4.348 1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.459 4.977 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.185 4.377 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.535 3.518 -1.815 1.00 0.00 H new ATOM 234 N GLU A 22 -5.322 -0.152 -1.194 1.00 0.00 N ATOM 235 CA GLU A 22 -6.433 -0.478 -2.116 1.00 0.00 C ATOM 236 C GLU A 22 -7.613 -1.167 -1.398 1.00 0.00 C ATOM 237 O GLU A 22 -8.763 -0.959 -1.781 1.00 0.00 O ATOM 238 CB GLU A 22 -5.924 -1.297 -3.318 1.00 0.00 C ATOM 239 CG GLU A 22 -5.706 -2.788 -3.020 1.00 0.00 C ATOM 240 CD GLU A 22 -5.013 -3.532 -4.153 1.00 0.00 C ATOM 241 OE1 GLU A 22 -5.346 -3.431 -5.330 1.00 0.00 O ATOM 242 OE2 GLU A 22 -4.034 -4.379 -3.792 1.00 0.00 O ATOM 0 H GLU A 22 -4.437 -0.601 -1.429 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.826 0.464 -2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.638 -1.203 -4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.984 -0.867 -3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.111 -2.887 -2.112 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.670 -3.257 -2.822 1.00 0.00 H new ATOM 245 N ASN A 23 -7.314 -1.867 -0.301 1.00 0.00 N ATOM 246 CA ASN A 23 -8.325 -2.521 0.567 1.00 0.00 C ATOM 247 C ASN A 23 -9.381 -1.513 1.057 1.00 0.00 C ATOM 248 O ASN A 23 -10.569 -1.838 1.137 1.00 0.00 O ATOM 249 CB ASN A 23 -7.659 -3.248 1.754 1.00 0.00 C ATOM 250 CG ASN A 23 -7.430 -2.467 3.055 1.00 0.00 C ATOM 251 OD1 ASN A 23 -7.278 -1.255 3.140 1.00 0.00 O ATOM 252 ND2 ASN A 23 -7.458 -3.144 4.178 1.00 0.00 N ATOM 0 H ASN A 23 -6.356 -2.003 0.022 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.838 -3.270 -0.036 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.268 -4.119 1.993 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.692 -3.619 1.415 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.355 -2.658 5.069 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.582 -4.156 4.160 1.00 0.00 H new ATOM 256 N GLU A 24 -8.930 -0.273 1.206 1.00 0.00 N ATOM 257 CA GLU A 24 -9.720 0.868 1.691 1.00 0.00 C ATOM 258 C GLU A 24 -10.685 1.313 0.599 1.00 0.00 C ATOM 259 O GLU A 24 -11.882 1.162 0.788 1.00 0.00 O ATOM 260 CB GLU A 24 -8.826 2.003 2.175 1.00 0.00 C ATOM 261 CG GLU A 24 -9.643 3.047 2.949 1.00 0.00 C ATOM 262 CD GLU A 24 -9.436 2.943 4.463 1.00 0.00 C ATOM 263 OE1 GLU A 24 -9.785 1.984 5.139 1.00 0.00 O ATOM 264 OE2 GLU A 24 -8.815 3.994 5.031 1.00 0.00 O ATOM 0 H GLU A 24 -7.967 -0.018 0.986 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.304 0.558 2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.038 1.604 2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.337 2.476 1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.362 4.046 2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.701 2.920 2.720 1.00 0.00 H new ATOM 267 N VAL A 25 -10.157 1.720 -0.549 1.00 0.00 N ATOM 268 CA VAL A 25 -10.946 2.054 -1.764 1.00 0.00 C ATOM 269 C VAL A 25 -12.102 1.046 -2.011 1.00 0.00 C ATOM 270 O VAL A 25 -13.238 1.484 -2.156 1.00 0.00 O ATOM 271 CB VAL A 25 -9.999 2.220 -2.970 1.00 0.00 C ATOM 272 CG1 VAL A 25 -10.728 2.384 -4.312 1.00 0.00 C ATOM 273 CG2 VAL A 25 -9.119 3.460 -2.776 1.00 0.00 C ATOM 0 H VAL A 25 -9.152 1.834 -0.680 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.446 3.010 -1.610 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.414 1.301 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.996 2.495 -5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.343 1.504 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.363 3.269 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.453 3.571 -3.632 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.750 4.344 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.527 3.348 -1.868 1.00 0.00 H new ATOM 275 N ALA A 26 -11.825 -0.232 -1.770 1.00 0.00 N ATOM 276 CA ALA A 26 -12.829 -1.308 -1.851 1.00 0.00 C ATOM 277 C ALA A 26 -13.940 -1.177 -0.780 1.00 0.00 C ATOM 278 O ALA A 26 -15.056 -0.803 -1.110 1.00 0.00 O ATOM 279 CB ALA A 26 -12.127 -2.671 -1.782 1.00 0.00 C ATOM 0 H ALA A 26 -10.895 -0.560 -1.511 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.339 -1.219 -2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.870 -3.466 -1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.429 -2.763 -2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.583 -2.753 -0.841 1.00 0.00 H new ATOM 281 N ARG A 27 -13.568 -1.339 0.487 1.00 0.00 N ATOM 282 CA ARG A 27 -14.481 -1.178 1.652 1.00 0.00 C ATOM 283 C ARG A 27 -15.244 0.171 1.655 1.00 0.00 C ATOM 284 O ARG A 27 -16.444 0.211 1.871 1.00 0.00 O ATOM 285 CB ARG A 27 -13.648 -1.418 2.925 1.00 0.00 C ATOM 286 CG ARG A 27 -12.808 -0.219 3.401 1.00 0.00 C ATOM 287 CD ARG A 27 -11.744 -0.505 4.484 1.00 0.00 C ATOM 288 NE ARG A 27 -12.244 -1.347 5.580 1.00 0.00 N ATOM 289 CZ ARG A 27 -13.457 -1.265 6.144 1.00 0.00 C ATOM 290 NH1 ARG A 27 -13.977 -0.107 6.526 1.00 0.00 N ATOM 291 NH2 ARG A 27 -14.029 -2.383 6.514 1.00 0.00 N ATOM 0 H ARG A 27 -12.616 -1.589 0.754 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.284 -1.913 1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -14.322 -1.710 3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -12.980 -2.261 2.748 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.305 0.210 2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -13.488 0.542 3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.887 -0.994 4.021 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.389 0.441 4.894 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.610 -2.058 5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.451 0.757 6.394 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.903 -0.080 6.952 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.551 -3.273 6.369 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -14.952 -2.364 6.947 1.00 0.00 H new ATOM 298 N LEU A 28 -14.546 1.216 1.212 1.00 0.00 N ATOM 299 CA LEU A 28 -15.029 2.595 1.011 1.00 0.00 C ATOM 300 C LEU A 28 -16.111 2.684 -0.072 1.00 0.00 C ATOM 301 O LEU A 28 -17.199 3.184 0.182 1.00 0.00 O ATOM 302 CB LEU A 28 -13.795 3.468 0.704 1.00 0.00 C ATOM 303 CG LEU A 28 -14.068 4.769 -0.071 1.00 0.00 C ATOM 304 CD1 LEU A 28 -14.796 5.795 0.799 1.00 0.00 C ATOM 305 CD2 LEU A 28 -12.767 5.346 -0.606 1.00 0.00 C ATOM 0 H LEU A 28 -13.561 1.123 0.965 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.523 2.959 1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.312 3.724 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.084 2.870 0.133 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.718 4.530 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.973 6.702 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.750 5.382 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.185 6.033 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.974 6.266 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.095 5.561 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.297 4.625 -1.275 1.00 0.00 H new ATOM 307 N LYS A 29 -15.797 2.160 -1.255 1.00 0.00 N ATOM 308 CA LYS A 29 -16.757 2.120 -2.379 1.00 0.00 C ATOM 309 C LYS A 29 -18.000 1.279 -2.020 1.00 0.00 C ATOM 310 O LYS A 29 -19.108 1.606 -2.428 1.00 0.00 O ATOM 311 CB LYS A 29 -16.031 1.567 -3.602 1.00 0.00 C ATOM 312 CG LYS A 29 -16.632 2.110 -4.896 1.00 0.00 C ATOM 313 CD LYS A 29 -15.594 2.939 -5.659 1.00 0.00 C ATOM 314 CE LYS A 29 -16.175 3.566 -6.934 1.00 0.00 C ATOM 315 NZ LYS A 29 -17.298 4.459 -6.615 1.00 0.00 N ATOM 0 H LYS A 29 -14.886 1.754 -1.470 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.121 3.124 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.975 1.830 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.088 0.479 -3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.977 1.285 -5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.503 2.725 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.213 3.727 -5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.747 2.305 -5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.398 4.125 -7.456 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.511 2.780 -7.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.509 5.059 -7.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -18.136 3.891 -6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -17.045 5.060 -5.805 1.00 0.00 H new ATOM 320 N LYS A 30 -17.813 0.332 -1.094 1.00 0.00 N ATOM 321 CA LYS A 30 -18.907 -0.456 -0.489 1.00 0.00 C ATOM 322 C LYS A 30 -19.728 0.286 0.576 1.00 0.00 C ATOM 323 O LYS A 30 -20.929 0.058 0.704 1.00 0.00 O ATOM 324 CB LYS A 30 -18.362 -1.781 0.046 1.00 0.00 C ATOM 325 CG LYS A 30 -17.938 -2.759 -1.058 1.00 0.00 C ATOM 326 CD LYS A 30 -19.104 -3.074 -2.005 1.00 0.00 C ATOM 327 CE LYS A 30 -19.199 -4.559 -2.366 1.00 0.00 C ATOM 328 NZ LYS A 30 -18.021 -4.994 -3.129 1.00 0.00 N ATOM 0 H LYS A 30 -16.891 0.084 -0.736 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.619 -0.646 -1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -17.506 -1.579 0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -19.123 -2.254 0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -17.111 -2.333 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -17.573 -3.682 -0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -20.038 -2.759 -1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -18.990 -2.490 -2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -19.286 -5.153 -1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -20.101 -4.737 -2.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.127 -5.995 -3.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.934 -4.419 -3.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.167 -4.876 -2.547 1.00 0.00 H new ATOM 333 N LEU A 31 -19.115 1.292 1.205 1.00 0.00 N ATOM 334 CA LEU A 31 -19.804 2.217 2.141 1.00 0.00 C ATOM 335 C LEU A 31 -20.744 3.175 1.389 1.00 0.00 C ATOM 336 O LEU A 31 -21.874 3.401 1.828 1.00 0.00 O ATOM 337 CB LEU A 31 -18.780 2.995 2.972 1.00 0.00 C ATOM 338 CG LEU A 31 -18.070 2.093 3.989 1.00 0.00 C ATOM 339 CD1 LEU A 31 -16.739 2.709 4.413 1.00 0.00 C ATOM 340 CD2 LEU A 31 -18.941 1.870 5.234 1.00 0.00 C ATOM 0 H LEU A 31 -18.123 1.498 1.086 1.00 0.00 H new ATOM 0 HA LEU A 31 -20.416 1.621 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -18.042 3.447 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -19.280 3.810 3.495 1.00 0.00 H new ATOM 0 HG LEU A 31 -17.890 1.132 3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -16.249 2.055 5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -16.099 2.829 3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -16.918 3.683 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -18.412 1.227 5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -19.152 2.829 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -19.878 1.395 4.942 1.00 0.00 H new ATOM 342 N VAL A 32 -20.367 3.532 0.167 1.00 0.00 N ATOM 343 CA VAL A 32 -21.212 4.369 -0.733 1.00 0.00 C ATOM 344 C VAL A 32 -22.214 3.504 -1.550 1.00 0.00 C ATOM 345 O VAL A 32 -22.957 4.013 -2.384 1.00 0.00 O ATOM 346 CB VAL A 32 -20.289 5.273 -1.599 1.00 0.00 C ATOM 347 CG1 VAL A 32 -21.057 6.266 -2.479 1.00 0.00 C ATOM 348 CG2 VAL A 32 -19.342 6.107 -0.725 1.00 0.00 C ATOM 0 H VAL A 32 -19.474 3.260 -0.244 1.00 0.00 H new ATOM 0 HA VAL A 32 -21.848 5.030 -0.143 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.742 4.574 -2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -20.351 6.863 -3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -21.710 5.720 -3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -21.657 6.922 -1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -18.711 6.727 -1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -19.926 6.745 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.715 5.442 -0.131 1.00 0.00 H new ATOM 350 N GLY A 33 -22.365 2.253 -1.138 1.00 0.00 N ATOM 351 CA GLY A 33 -23.311 1.276 -1.721 1.00 0.00 C ATOM 352 C GLY A 33 -24.654 1.234 -0.970 1.00 0.00 C ATOM 353 O GLY A 33 -25.712 1.123 -1.582 1.00 0.00 O ATOM 0 H GLY A 33 -21.822 1.866 -0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.491 1.529 -2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.859 0.284 -1.706 1.00 0.00 H new ATOM 355 N GLU A 34 -24.559 1.265 0.359 1.00 0.00 N ATOM 356 CA GLU A 34 -25.746 1.221 1.237 1.00 0.00 C ATOM 357 C GLU A 34 -25.639 2.088 2.521 1.00 0.00 C ATOM 358 O GLU A 34 -26.438 1.923 3.437 1.00 0.00 O ATOM 359 CB GLU A 34 -25.990 -0.242 1.628 1.00 0.00 C ATOM 360 CG GLU A 34 -27.480 -0.620 1.601 1.00 0.00 C ATOM 361 CD GLU A 34 -27.971 -0.834 0.168 1.00 0.00 C ATOM 362 OE1 GLU A 34 -27.536 -1.719 -0.550 1.00 0.00 O ATOM 363 OE2 GLU A 34 -29.014 -0.078 -0.239 1.00 0.00 O ATOM 0 H GLU A 34 -23.672 1.321 0.860 1.00 0.00 H new ATOM 0 HA GLU A 34 -26.575 1.646 0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -25.441 -0.893 0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -25.592 -0.418 2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -27.638 -1.529 2.182 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -28.066 0.167 2.075 1.00 0.00 H new ATOM 366 N ARG A 35 -24.706 3.035 2.544 1.00 0.00 N ATOM 367 CA ARG A 35 -24.450 3.923 3.712 1.00 0.00 C ATOM 368 C ARG A 35 -24.198 3.130 5.029 1.00 0.00 C ATOM 369 O ARG A 35 -23.012 2.783 5.245 1.00 0.00 O ATOM 370 CB ARG A 35 -25.572 4.970 3.757 1.00 0.00 C ATOM 371 CG ARG A 35 -25.498 6.088 4.795 1.00 0.00 C ATOM 372 CD ARG A 35 -26.494 5.882 5.948 1.00 0.00 C ATOM 373 NE ARG A 35 -25.792 5.197 7.049 1.00 0.00 N ATOM 374 CZ ARG A 35 -24.953 5.776 7.895 1.00 0.00 C ATOM 375 NH1 ARG A 35 -25.283 6.925 8.474 1.00 0.00 N ATOM 376 NH2 ARG A 35 -24.022 5.045 8.481 1.00 0.00 N ATOM 377 OXT ARG A 35 -25.173 2.757 5.709 1.00 0.00 O ATOM 0 H ARG A 35 -24.091 3.223 1.752 1.00 0.00 H new ATOM 0 HA ARG A 35 -23.509 4.461 3.597 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -25.627 5.437 2.773 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -26.512 4.439 3.911 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -24.486 6.141 5.197 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -25.699 7.044 4.311 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -26.887 6.841 6.286 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -27.345 5.289 5.613 1.00 0.00 H new ATOM 0 HE ARG A 35 -25.966 4.199 7.169 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -26.182 7.361 8.267 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -24.638 7.372 9.126 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -23.955 4.047 8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -23.370 5.478 9.134 1.00 0.00 H new TER 384 ARG A 35