USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=10 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+ 150:sc= -1.04 (180deg=-3.83!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -127:sc= -3.21! (180deg=-4.39!) USER MOD Single : A 5 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0424) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 10 LYS NZ :NH3+ 152:sc= -0.114 (180deg=-0.716) USER MOD Single : A 16 SER OG : rot -34:sc= 0.366 USER MOD Single : A 17 LYS NZ :NH3+ 164:sc= 0.857 (180deg=0.555) USER MOD Single : A 18 ASN : amide:sc= -0.508 X(o=-0.51,f=-0.054) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.857 F(o=-1.9,f=-0.86) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.0651 F(o=-1.7!,f=-0.065) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.0969) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 13.757 9.615 -4.721 1.00 0.00 N ATOM 2 CA LEU A 1 14.443 10.263 -5.883 1.00 0.00 C ATOM 3 C LEU A 1 15.973 10.060 -5.993 1.00 0.00 C ATOM 4 O LEU A 1 16.522 9.831 -7.070 1.00 0.00 O ATOM 5 CB LEU A 1 14.014 11.733 -6.031 1.00 0.00 C ATOM 6 CG LEU A 1 14.456 12.786 -4.976 1.00 0.00 C ATOM 7 CD1 LEU A 1 14.200 12.417 -3.516 1.00 0.00 C ATOM 8 CD2 LEU A 1 15.878 13.298 -5.220 1.00 0.00 C ATOM 0 H1 LEU A 1 12.927 10.179 -4.449 1.00 0.00 H new ATOM 0 H2 LEU A 1 13.452 8.657 -4.988 1.00 0.00 H new ATOM 0 H3 LEU A 1 14.415 9.558 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 1 14.085 9.706 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 1 14.371 12.078 -7.001 1.00 0.00 H new ATOM 0 HB3 LEU A 1 12.925 11.750 -6.068 1.00 0.00 H new ATOM 0 HG LEU A 1 13.775 13.620 -5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 1 14.548 13.224 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 1 13.132 12.263 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 1 14.737 11.500 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 1 16.137 14.031 -4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 1 16.578 12.464 -5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 1 15.933 13.765 -6.203 1.00 0.00 H new ATOM 12 N GLN A 2 16.610 10.109 -4.835 1.00 0.00 N ATOM 13 CA GLN A 2 18.055 9.878 -4.650 1.00 0.00 C ATOM 14 C GLN A 2 18.225 8.796 -3.585 1.00 0.00 C ATOM 15 O GLN A 2 17.497 8.755 -2.586 1.00 0.00 O ATOM 16 CB GLN A 2 18.756 11.178 -4.222 1.00 0.00 C ATOM 17 CG GLN A 2 20.262 10.989 -3.953 1.00 0.00 C ATOM 18 CD GLN A 2 21.125 11.933 -4.797 1.00 0.00 C ATOM 19 OE1 GLN A 2 21.356 13.085 -4.460 1.00 0.00 O ATOM 20 NE2 GLN A 2 21.638 11.440 -5.904 1.00 0.00 N ATOM 0 H GLN A 2 16.129 10.317 -3.960 1.00 0.00 H new ATOM 0 HA GLN A 2 18.509 9.554 -5.586 1.00 0.00 H new ATOM 0 HB2 GLN A 2 18.623 11.929 -5.000 1.00 0.00 H new ATOM 0 HB3 GLN A 2 18.277 11.563 -3.322 1.00 0.00 H new ATOM 0 HG2 GLN A 2 20.465 11.162 -2.896 1.00 0.00 H new ATOM 0 HG3 GLN A 2 20.541 9.957 -4.166 1.00 0.00 H new ATOM 0 HE21 GLN A 2 21.438 10.477 -6.174 1.00 0.00 H new ATOM 0 HE22 GLN A 2 22.236 12.021 -6.492 1.00 0.00 H new ATOM 24 N ARG A 3 19.256 7.995 -3.837 1.00 0.00 N ATOM 25 CA ARG A 3 19.733 6.842 -3.052 1.00 0.00 C ATOM 26 C ARG A 3 18.859 5.605 -3.320 1.00 0.00 C ATOM 27 O ARG A 3 18.269 5.055 -2.403 1.00 0.00 O ATOM 28 CB ARG A 3 19.830 7.175 -1.557 1.00 0.00 C ATOM 29 CG ARG A 3 21.009 6.440 -0.926 1.00 0.00 C ATOM 30 CD ARG A 3 22.309 7.237 -1.087 1.00 0.00 C ATOM 31 NE ARG A 3 22.451 8.175 0.059 1.00 0.00 N ATOM 32 CZ ARG A 3 22.772 7.828 1.305 1.00 0.00 C ATOM 33 NH1 ARG A 3 23.175 6.606 1.613 1.00 0.00 N ATOM 34 NH2 ARG A 3 22.402 8.608 2.311 1.00 0.00 N ATOM 0 H ARG A 3 19.834 8.142 -4.665 1.00 0.00 H new ATOM 0 HA ARG A 3 20.745 6.604 -3.379 1.00 0.00 H new ATOM 0 HB2 ARG A 3 19.950 8.250 -1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 3 18.905 6.893 -1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 3 20.811 6.271 0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 3 21.120 5.460 -1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 3 23.162 6.560 -1.127 1.00 0.00 H new ATOM 0 HD3 ARG A 3 22.297 7.790 -2.026 1.00 0.00 H new ATOM 0 HE ARG A 3 22.289 9.165 -0.124 1.00 0.00 H new ATOM 0 HH11 ARG A 3 23.248 5.895 0.886 1.00 0.00 H new ATOM 0 HH12 ARG A 3 23.413 6.375 2.578 1.00 0.00 H new ATOM 0 HH21 ARG A 3 21.877 9.463 2.127 1.00 0.00 H new ATOM 0 HH22 ARG A 3 22.642 8.353 3.269 1.00 0.00 H new ATOM 41 N MET A 4 18.931 5.100 -4.548 1.00 0.00 N ATOM 42 CA MET A 4 18.201 3.874 -4.957 1.00 0.00 C ATOM 43 C MET A 4 18.397 2.687 -4.000 1.00 0.00 C ATOM 44 O MET A 4 17.411 2.124 -3.556 1.00 0.00 O ATOM 45 CB MET A 4 18.540 3.447 -6.393 1.00 0.00 C ATOM 46 CG MET A 4 17.665 4.115 -7.460 1.00 0.00 C ATOM 47 SD MET A 4 18.121 5.824 -7.924 1.00 0.00 S ATOM 48 CE MET A 4 17.117 6.776 -6.809 1.00 0.00 C ATOM 0 H MET A 4 19.490 5.516 -5.293 1.00 0.00 H new ATOM 0 HA MET A 4 17.149 4.155 -4.911 1.00 0.00 H new ATOM 0 HB2 MET A 4 19.585 3.681 -6.595 1.00 0.00 H new ATOM 0 HB3 MET A 4 18.434 2.365 -6.475 1.00 0.00 H new ATOM 0 HG2 MET A 4 17.689 3.498 -8.358 1.00 0.00 H new ATOM 0 HG3 MET A 4 16.635 4.120 -7.104 1.00 0.00 H new ATOM 0 HE1 MET A 4 16.535 7.504 -7.375 1.00 0.00 H new ATOM 0 HE2 MET A 4 16.442 6.112 -6.270 1.00 0.00 H new ATOM 0 HE3 MET A 4 17.757 7.297 -6.098 1.00 0.00 H new ATOM 50 N LYS A 5 19.608 2.605 -3.452 1.00 0.00 N ATOM 51 CA LYS A 5 20.019 1.606 -2.449 1.00 0.00 C ATOM 52 C LYS A 5 19.139 1.706 -1.171 1.00 0.00 C ATOM 53 O LYS A 5 18.415 0.776 -0.876 1.00 0.00 O ATOM 54 CB LYS A 5 21.504 1.812 -2.117 1.00 0.00 C ATOM 55 CG LYS A 5 22.413 1.781 -3.362 1.00 0.00 C ATOM 56 CD LYS A 5 22.837 0.384 -3.807 1.00 0.00 C ATOM 57 CE LYS A 5 23.492 0.366 -5.192 1.00 0.00 C ATOM 58 NZ LYS A 5 24.625 1.299 -5.299 1.00 0.00 N ATOM 0 H LYS A 5 20.359 3.250 -3.697 1.00 0.00 H new ATOM 0 HA LYS A 5 19.879 0.605 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 5 21.627 2.768 -1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 5 21.825 1.037 -1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 5 21.893 2.268 -4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 5 23.307 2.369 -3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 5 23.534 -0.027 -3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 5 21.964 -0.268 -3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 5 23.837 -0.644 -5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 5 22.746 0.620 -5.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 25.082 1.185 -6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 24.281 2.276 -5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 25.313 1.097 -4.546 1.00 0.00 H new ATOM 63 N GLN A 6 19.017 2.935 -0.644 1.00 0.00 N ATOM 64 CA GLN A 6 18.171 3.265 0.527 1.00 0.00 C ATOM 65 C GLN A 6 16.673 3.350 0.190 1.00 0.00 C ATOM 66 O GLN A 6 15.842 2.847 0.940 1.00 0.00 O ATOM 67 CB GLN A 6 18.681 4.552 1.193 1.00 0.00 C ATOM 68 CG GLN A 6 17.786 5.179 2.272 1.00 0.00 C ATOM 69 CD GLN A 6 17.386 4.233 3.424 1.00 0.00 C ATOM 70 OE1 GLN A 6 18.024 3.242 3.736 1.00 0.00 O ATOM 71 NE2 GLN A 6 16.313 4.569 4.116 1.00 0.00 N ATOM 0 H GLN A 6 19.509 3.744 -1.022 1.00 0.00 H new ATOM 0 HA GLN A 6 18.259 2.441 1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 6 19.653 4.341 1.639 1.00 0.00 H new ATOM 0 HB3 GLN A 6 18.844 5.296 0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 6 18.302 6.041 2.694 1.00 0.00 H new ATOM 0 HG3 GLN A 6 16.878 5.552 1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 6 15.778 5.398 3.857 1.00 0.00 H new ATOM 0 HE22 GLN A 6 16.019 4.000 4.910 1.00 0.00 H new ATOM 75 N LEU A 7 16.326 3.999 -0.918 1.00 0.00 N ATOM 76 CA LEU A 7 14.928 4.058 -1.398 1.00 0.00 C ATOM 77 C LEU A 7 14.314 2.653 -1.545 1.00 0.00 C ATOM 78 O LEU A 7 13.219 2.441 -1.042 1.00 0.00 O ATOM 79 CB LEU A 7 14.788 4.846 -2.703 1.00 0.00 C ATOM 80 CG LEU A 7 15.285 6.286 -2.586 1.00 0.00 C ATOM 81 CD1 LEU A 7 15.255 6.894 -3.968 1.00 0.00 C ATOM 82 CD2 LEU A 7 14.428 7.175 -1.669 1.00 0.00 C ATOM 0 H LEU A 7 16.990 4.497 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 7 14.369 4.595 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 7 15.345 4.338 -3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.741 4.852 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 7 16.283 6.244 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.605 7.925 -3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.903 6.322 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 7 14.235 6.875 -4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.848 8.180 -1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.409 7.219 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 7 14.419 6.757 -0.662 1.00 0.00 H new ATOM 84 N GLU A 8 15.157 1.697 -1.922 1.00 0.00 N ATOM 85 CA GLU A 8 14.815 0.253 -1.991 1.00 0.00 C ATOM 86 C GLU A 8 14.444 -0.391 -0.651 1.00 0.00 C ATOM 87 O GLU A 8 13.662 -1.343 -0.635 1.00 0.00 O ATOM 88 CB GLU A 8 15.941 -0.520 -2.676 1.00 0.00 C ATOM 89 CG GLU A 8 15.776 -0.550 -4.199 1.00 0.00 C ATOM 90 CD GLU A 8 15.048 -1.818 -4.638 1.00 0.00 C ATOM 91 OE1 GLU A 8 15.593 -2.918 -4.648 1.00 0.00 O ATOM 92 OE2 GLU A 8 13.767 -1.697 -5.034 1.00 0.00 O ATOM 0 H GLU A 8 16.120 1.893 -2.197 1.00 0.00 H new ATOM 0 HA GLU A 8 13.903 0.195 -2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.898 -0.064 -2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.964 -1.541 -2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.218 0.327 -4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.755 -0.503 -4.677 1.00 0.00 H new ATOM 95 N ASP A 9 14.876 0.220 0.450 1.00 0.00 N ATOM 96 CA ASP A 9 14.526 -0.207 1.826 1.00 0.00 C ATOM 97 C ASP A 9 13.050 0.125 2.130 1.00 0.00 C ATOM 98 O ASP A 9 12.292 -0.710 2.619 1.00 0.00 O ATOM 99 CB ASP A 9 15.409 0.479 2.891 1.00 0.00 C ATOM 100 CG ASP A 9 16.918 0.300 2.710 1.00 0.00 C ATOM 101 OD1 ASP A 9 17.476 0.218 1.621 1.00 0.00 O ATOM 102 OD2 ASP A 9 17.655 0.257 3.839 1.00 0.00 O ATOM 0 H ASP A 9 15.487 1.036 0.424 1.00 0.00 H new ATOM 0 HA ASP A 9 14.695 -1.283 1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.185 1.546 2.892 1.00 0.00 H new ATOM 0 HB3 ASP A 9 15.130 0.094 3.872 1.00 0.00 H new ATOM 105 N LYS A 10 12.632 1.309 1.688 1.00 0.00 N ATOM 106 CA LYS A 10 11.232 1.753 1.815 1.00 0.00 C ATOM 107 C LYS A 10 10.302 1.378 0.654 1.00 0.00 C ATOM 108 O LYS A 10 9.122 1.176 0.892 1.00 0.00 O ATOM 109 CB LYS A 10 11.041 3.233 2.195 1.00 0.00 C ATOM 110 CG LYS A 10 11.800 4.264 1.364 1.00 0.00 C ATOM 111 CD LYS A 10 13.181 4.514 1.965 1.00 0.00 C ATOM 112 CE LYS A 10 13.685 5.929 1.666 1.00 0.00 C ATOM 113 NZ LYS A 10 12.835 6.904 2.361 1.00 0.00 N ATOM 0 H LYS A 10 13.243 1.988 1.234 1.00 0.00 H new ATOM 0 HA LYS A 10 10.917 1.156 2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 10 9.978 3.464 2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 10 11.334 3.356 3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.901 3.911 0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.237 5.197 1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.140 4.363 3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.887 3.785 1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.720 6.035 1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 10 13.667 6.114 0.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 13.388 7.760 2.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 12.027 7.153 1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 12.488 6.490 3.250 1.00 0.00 H new ATOM 118 N VAL A 11 10.846 1.187 -0.552 1.00 0.00 N ATOM 119 CA VAL A 11 10.093 0.658 -1.721 1.00 0.00 C ATOM 120 C VAL A 11 9.229 -0.571 -1.379 1.00 0.00 C ATOM 121 O VAL A 11 8.047 -0.598 -1.687 1.00 0.00 O ATOM 122 CB VAL A 11 11.067 0.439 -2.900 1.00 0.00 C ATOM 123 CG1 VAL A 11 10.542 -0.457 -4.032 1.00 0.00 C ATOM 124 CG2 VAL A 11 11.422 1.788 -3.541 1.00 0.00 C ATOM 0 H VAL A 11 11.824 1.392 -0.758 1.00 0.00 H new ATOM 0 HA VAL A 11 9.360 1.402 -2.033 1.00 0.00 H new ATOM 0 HB VAL A 11 11.922 -0.065 -2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.302 -0.545 -4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.311 -1.446 -3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.640 -0.016 -4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.109 1.627 -4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.514 2.266 -3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.895 2.430 -2.798 1.00 0.00 H new ATOM 126 N GLU A 12 9.796 -1.453 -0.560 1.00 0.00 N ATOM 127 CA GLU A 12 9.077 -2.634 -0.030 1.00 0.00 C ATOM 128 C GLU A 12 7.936 -2.288 0.946 1.00 0.00 C ATOM 129 O GLU A 12 6.796 -2.684 0.718 1.00 0.00 O ATOM 130 CB GLU A 12 10.065 -3.600 0.619 1.00 0.00 C ATOM 131 CG GLU A 12 10.465 -4.657 -0.416 1.00 0.00 C ATOM 132 CD GLU A 12 11.984 -4.824 -0.454 1.00 0.00 C ATOM 133 OE1 GLU A 12 12.620 -5.369 0.445 1.00 0.00 O ATOM 134 OE2 GLU A 12 12.595 -4.340 -1.559 1.00 0.00 O ATOM 0 H GLU A 12 10.762 -1.380 -0.240 1.00 0.00 H new ATOM 0 HA GLU A 12 8.598 -3.110 -0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.945 -3.062 0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.613 -4.075 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.995 -5.610 -0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.101 -4.365 -1.401 1.00 0.00 H new ATOM 137 N GLU A 13 8.251 -1.426 1.912 1.00 0.00 N ATOM 138 CA GLU A 13 7.275 -0.856 2.878 1.00 0.00 C ATOM 139 C GLU A 13 6.105 -0.149 2.155 1.00 0.00 C ATOM 140 O GLU A 13 4.982 -0.119 2.660 1.00 0.00 O ATOM 141 CB GLU A 13 7.974 0.153 3.785 1.00 0.00 C ATOM 142 CG GLU A 13 9.054 -0.481 4.678 1.00 0.00 C ATOM 143 CD GLU A 13 10.171 0.496 5.075 1.00 0.00 C ATOM 144 OE1 GLU A 13 11.267 0.114 5.455 1.00 0.00 O ATOM 145 OE2 GLU A 13 9.922 1.822 4.985 1.00 0.00 O ATOM 0 H GLU A 13 9.203 -1.090 2.059 1.00 0.00 H new ATOM 0 HA GLU A 13 6.873 -1.682 3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.430 0.929 3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.231 0.641 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.585 -0.871 5.581 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.494 -1.331 4.155 1.00 0.00 H new ATOM 148 N LEU A 14 6.379 0.388 0.972 1.00 0.00 N ATOM 149 CA LEU A 14 5.360 1.007 0.114 1.00 0.00 C ATOM 150 C LEU A 14 4.385 -0.063 -0.378 1.00 0.00 C ATOM 151 O LEU A 14 3.262 -0.057 0.079 1.00 0.00 O ATOM 152 CB LEU A 14 5.916 1.762 -1.098 1.00 0.00 C ATOM 153 CG LEU A 14 6.964 2.837 -0.761 1.00 0.00 C ATOM 154 CD1 LEU A 14 7.355 3.560 -2.043 1.00 0.00 C ATOM 155 CD2 LEU A 14 6.520 3.828 0.318 1.00 0.00 C ATOM 0 H LEU A 14 7.318 0.409 0.573 1.00 0.00 H new ATOM 0 HA LEU A 14 4.865 1.750 0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.362 1.042 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.088 2.235 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 14 7.826 2.326 -0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.098 4.325 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.774 2.845 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.473 4.028 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.315 4.552 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.622 4.349 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.306 3.289 1.241 1.00 0.00 H new ATOM 157 N LEU A 15 4.869 -1.037 -1.142 1.00 0.00 N ATOM 158 CA LEU A 15 4.049 -2.140 -1.682 1.00 0.00 C ATOM 159 C LEU A 15 3.283 -2.914 -0.592 1.00 0.00 C ATOM 160 O LEU A 15 2.059 -2.979 -0.673 1.00 0.00 O ATOM 161 CB LEU A 15 4.862 -3.134 -2.511 1.00 0.00 C ATOM 162 CG LEU A 15 5.860 -2.496 -3.491 1.00 0.00 C ATOM 163 CD1 LEU A 15 6.477 -3.594 -4.355 1.00 0.00 C ATOM 164 CD2 LEU A 15 5.261 -1.402 -4.397 1.00 0.00 C ATOM 0 H LEU A 15 5.851 -1.092 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 15 3.327 -1.644 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.409 -3.788 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.173 -3.763 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 15 6.610 -1.994 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.187 -3.151 -5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.995 -4.311 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.691 -4.104 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.037 -1.009 -5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.457 -1.827 -4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.865 -0.595 -3.780 1.00 0.00 H new ATOM 166 N SER A 16 3.963 -3.256 0.505 1.00 0.00 N ATOM 167 CA SER A 16 3.340 -3.929 1.674 1.00 0.00 C ATOM 168 C SER A 16 2.081 -3.192 2.171 1.00 0.00 C ATOM 169 O SER A 16 1.056 -3.811 2.461 1.00 0.00 O ATOM 170 CB SER A 16 4.309 -4.102 2.844 1.00 0.00 C ATOM 171 OG SER A 16 4.546 -2.864 3.524 1.00 0.00 O ATOM 0 H SER A 16 4.961 -3.079 0.619 1.00 0.00 H new ATOM 0 HA SER A 16 3.055 -4.916 1.311 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.905 -4.831 3.546 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.254 -4.502 2.477 1.00 0.00 H new ATOM 0 HG SER A 16 4.534 -2.128 2.877 1.00 0.00 H new ATOM 174 N LYS A 17 2.145 -1.869 2.074 1.00 0.00 N ATOM 175 CA LYS A 17 1.033 -0.961 2.408 1.00 0.00 C ATOM 176 C LYS A 17 0.105 -0.615 1.228 1.00 0.00 C ATOM 177 O LYS A 17 -1.106 -0.692 1.353 1.00 0.00 O ATOM 178 CB LYS A 17 1.577 0.311 3.072 1.00 0.00 C ATOM 179 CG LYS A 17 2.182 -0.007 4.444 1.00 0.00 C ATOM 180 CD LYS A 17 2.256 1.247 5.328 1.00 0.00 C ATOM 181 CE LYS A 17 3.589 1.995 5.282 1.00 0.00 C ATOM 182 NZ LYS A 17 3.972 2.331 3.903 1.00 0.00 N ATOM 0 H LYS A 17 2.982 -1.380 1.756 1.00 0.00 H new ATOM 0 HA LYS A 17 0.400 -1.507 3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.334 0.765 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.774 1.040 3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.581 -0.769 4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.181 -0.423 4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.462 1.931 5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.055 0.958 6.360 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.515 2.908 5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.367 1.382 5.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.717 3.056 3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.327 1.479 3.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.143 2.696 3.392 1.00 0.00 H new ATOM 187 N ASN A 18 0.653 -0.333 0.061 1.00 0.00 N ATOM 188 CA ASN A 18 -0.113 -0.098 -1.187 1.00 0.00 C ATOM 189 C ASN A 18 -1.071 -1.263 -1.509 1.00 0.00 C ATOM 190 O ASN A 18 -2.223 -1.040 -1.892 1.00 0.00 O ATOM 191 CB ASN A 18 0.879 0.149 -2.336 1.00 0.00 C ATOM 192 CG ASN A 18 0.333 1.144 -3.358 1.00 0.00 C ATOM 193 OD1 ASN A 18 0.356 0.925 -4.563 1.00 0.00 O ATOM 194 ND2 ASN A 18 -0.127 2.279 -2.893 1.00 0.00 N ATOM 0 H ASN A 18 1.662 -0.255 -0.067 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.744 0.781 -1.054 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.818 0.525 -1.930 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.102 -0.796 -2.832 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.471 2.992 -3.536 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.141 2.450 -1.888 1.00 0.00 H new ATOM 198 N TYR A 19 -0.650 -2.459 -1.120 1.00 0.00 N ATOM 199 CA TYR A 19 -1.430 -3.710 -1.167 1.00 0.00 C ATOM 200 C TYR A 19 -2.598 -3.743 -0.174 1.00 0.00 C ATOM 201 O TYR A 19 -3.703 -4.122 -0.545 1.00 0.00 O ATOM 202 CB TYR A 19 -0.503 -4.919 -0.960 1.00 0.00 C ATOM 203 CG TYR A 19 0.395 -5.297 -2.151 1.00 0.00 C ATOM 204 CD1 TYR A 19 0.857 -4.328 -3.083 1.00 0.00 C ATOM 205 CD2 TYR A 19 0.762 -6.645 -2.266 1.00 0.00 C ATOM 206 CE1 TYR A 19 1.708 -4.727 -4.127 1.00 0.00 C ATOM 207 CE2 TYR A 19 1.614 -7.052 -3.313 1.00 0.00 C ATOM 208 CZ TYR A 19 2.077 -6.092 -4.224 1.00 0.00 C ATOM 209 OH TYR A 19 2.928 -6.465 -5.220 1.00 0.00 O ATOM 0 H TYR A 19 0.287 -2.601 -0.744 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.881 -3.759 -2.158 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.135 -4.718 -0.100 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.118 -5.783 -0.706 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.557 -3.295 -2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.393 -7.369 -1.555 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.075 -4.006 -4.843 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.906 -8.087 -3.412 1.00 0.00 H new ATOM 0 HH TYR A 19 3.094 -7.429 -5.164 1.00 0.00 H new ATOM 212 N HIS A 20 -2.394 -3.269 1.054 1.00 0.00 N ATOM 213 CA HIS A 20 -3.501 -3.109 2.021 1.00 0.00 C ATOM 214 C HIS A 20 -4.410 -1.888 1.732 1.00 0.00 C ATOM 215 O HIS A 20 -5.587 -1.854 2.091 1.00 0.00 O ATOM 216 CB HIS A 20 -3.022 -3.169 3.486 1.00 0.00 C ATOM 217 CG HIS A 20 -2.218 -1.996 4.063 1.00 0.00 C ATOM 218 ND1 HIS A 20 -2.454 -0.692 3.920 1.00 0.00 N flip ATOM 219 CD2 HIS A 20 -1.283 -2.109 5.003 1.00 0.00 C flip ATOM 220 CE1 HIS A 20 -1.662 -0.011 4.734 1.00 0.00 C flip ATOM 221 NE2 HIS A 20 -0.986 -0.895 5.461 1.00 0.00 N flip ATOM 0 H HIS A 20 -1.481 -2.988 1.410 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.142 -3.978 1.873 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.903 -3.302 4.113 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.415 -4.067 3.595 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.838 -3.034 5.339 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.580 1.064 4.796 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.353 -0.681 6.232 1.00 0.00 H new ATOM 225 N LEU A 21 -3.863 -0.951 0.947 1.00 0.00 N ATOM 226 CA LEU A 21 -4.527 0.300 0.537 1.00 0.00 C ATOM 227 C LEU A 21 -5.664 0.047 -0.464 1.00 0.00 C ATOM 228 O LEU A 21 -6.770 0.549 -0.253 1.00 0.00 O ATOM 229 CB LEU A 21 -3.477 1.274 -0.023 1.00 0.00 C ATOM 230 CG LEU A 21 -4.081 2.506 -0.725 1.00 0.00 C ATOM 231 CD1 LEU A 21 -4.738 3.474 0.265 1.00 0.00 C ATOM 232 CD2 LEU A 21 -3.030 3.203 -1.580 1.00 0.00 C ATOM 0 H LEU A 21 -2.921 -1.042 0.567 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.993 0.751 1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.836 1.610 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.841 0.741 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.876 2.153 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.149 4.326 -0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.540 2.962 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.994 3.824 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.475 4.070 -2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.203 3.526 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.659 2.511 -2.337 1.00 0.00 H new ATOM 234 N GLU A 22 -5.388 -0.735 -1.505 1.00 0.00 N ATOM 235 CA GLU A 22 -6.411 -1.137 -2.495 1.00 0.00 C ATOM 236 C GLU A 22 -7.669 -1.763 -1.828 1.00 0.00 C ATOM 237 O GLU A 22 -8.794 -1.456 -2.219 1.00 0.00 O ATOM 238 CB GLU A 22 -5.865 -2.078 -3.574 1.00 0.00 C ATOM 239 CG GLU A 22 -5.217 -3.356 -3.016 1.00 0.00 C ATOM 240 CD GLU A 22 -5.233 -4.571 -3.951 1.00 0.00 C ATOM 241 OE1 GLU A 22 -4.968 -5.696 -3.557 1.00 0.00 O ATOM 242 OE2 GLU A 22 -5.566 -4.379 -5.249 1.00 0.00 O ATOM 0 H GLU A 22 -4.459 -1.111 -1.694 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.709 -0.210 -2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.678 -2.357 -4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.129 -1.541 -4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.182 -3.133 -2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.726 -3.626 -2.091 1.00 0.00 H new ATOM 245 N ASN A 23 -7.427 -2.441 -0.712 1.00 0.00 N ATOM 246 CA ASN A 23 -8.512 -3.031 0.104 1.00 0.00 C ATOM 247 C ASN A 23 -9.354 -1.932 0.788 1.00 0.00 C ATOM 248 O ASN A 23 -10.579 -1.958 0.688 1.00 0.00 O ATOM 249 CB ASN A 23 -7.910 -3.983 1.149 1.00 0.00 C ATOM 250 CG ASN A 23 -8.919 -4.985 1.716 1.00 0.00 C ATOM 251 OD1 ASN A 23 -10.209 -4.688 1.649 1.00 0.00 O flip ATOM 252 ND2 ASN A 23 -8.574 -6.055 2.199 1.00 0.00 N flip ATOM 0 H ASN A 23 -6.491 -2.603 -0.341 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.177 -3.594 -0.552 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.082 -4.529 0.697 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.495 -3.395 1.968 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.584 -6.294 2.255 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.277 -6.708 2.545 1.00 0.00 H new ATOM 256 N GLU A 24 -8.673 -0.987 1.428 1.00 0.00 N ATOM 257 CA GLU A 24 -9.318 0.189 2.050 1.00 0.00 C ATOM 258 C GLU A 24 -10.119 1.018 1.045 1.00 0.00 C ATOM 259 O GLU A 24 -11.333 1.045 1.180 1.00 0.00 O ATOM 260 CB GLU A 24 -8.284 1.067 2.759 1.00 0.00 C ATOM 261 CG GLU A 24 -7.736 0.367 4.001 1.00 0.00 C ATOM 262 CD GLU A 24 -6.519 1.127 4.528 1.00 0.00 C ATOM 263 OE1 GLU A 24 -6.618 2.132 5.228 1.00 0.00 O ATOM 264 OE2 GLU A 24 -5.322 0.697 4.082 1.00 0.00 O ATOM 0 H GLU A 24 -7.659 -1.005 1.536 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.023 -0.195 2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.467 1.297 2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.739 2.016 3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.506 0.316 4.771 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.459 -0.659 3.759 1.00 0.00 H new ATOM 267 N VAL A 25 -9.472 1.448 -0.043 1.00 0.00 N ATOM 268 CA VAL A 25 -10.092 2.138 -1.204 1.00 0.00 C ATOM 269 C VAL A 25 -11.414 1.469 -1.644 1.00 0.00 C ATOM 270 O VAL A 25 -12.402 2.166 -1.839 1.00 0.00 O ATOM 271 CB VAL A 25 -9.089 2.282 -2.359 1.00 0.00 C ATOM 272 CG1 VAL A 25 -9.684 2.971 -3.593 1.00 0.00 C ATOM 273 CG2 VAL A 25 -7.868 3.112 -1.930 1.00 0.00 C ATOM 0 H VAL A 25 -8.465 1.326 -0.154 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.361 3.145 -0.884 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.808 1.261 -2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.925 3.042 -4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.529 2.390 -3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.021 3.972 -3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.174 3.198 -2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.193 4.106 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.369 2.621 -1.094 1.00 0.00 H new ATOM 275 N ALA A 26 -11.444 0.135 -1.620 1.00 0.00 N ATOM 276 CA ALA A 26 -12.649 -0.656 -1.915 1.00 0.00 C ATOM 277 C ALA A 26 -13.754 -0.433 -0.858 1.00 0.00 C ATOM 278 O ALA A 26 -14.690 0.315 -1.137 1.00 0.00 O ATOM 279 CB ALA A 26 -12.279 -2.141 -2.066 1.00 0.00 C ATOM 0 H ALA A 26 -10.629 -0.435 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.064 -0.314 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.177 -2.719 -2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.565 -2.257 -2.882 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.832 -2.501 -1.139 1.00 0.00 H new ATOM 281 N ARG A 27 -13.548 -0.910 0.369 1.00 0.00 N ATOM 282 CA ARG A 27 -14.461 -0.669 1.515 1.00 0.00 C ATOM 283 C ARG A 27 -14.871 0.806 1.702 1.00 0.00 C ATOM 284 O ARG A 27 -16.028 1.098 1.962 1.00 0.00 O ATOM 285 CB ARG A 27 -13.812 -1.178 2.809 1.00 0.00 C ATOM 286 CG ARG A 27 -14.120 -2.656 3.041 1.00 0.00 C ATOM 287 CD ARG A 27 -12.883 -3.549 3.003 1.00 0.00 C ATOM 288 NE ARG A 27 -13.261 -4.732 3.793 1.00 0.00 N ATOM 289 CZ ARG A 27 -13.818 -5.843 3.329 1.00 0.00 C ATOM 290 NH1 ARG A 27 -13.186 -6.658 2.493 1.00 0.00 N ATOM 291 NH2 ARG A 27 -14.732 -6.418 4.089 1.00 0.00 N ATOM 0 H ARG A 27 -12.738 -1.482 0.611 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.375 -1.217 1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.733 -1.033 2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -14.173 -0.592 3.654 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -14.611 -2.769 4.008 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -14.827 -2.995 2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.621 -3.821 1.981 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -12.016 -3.046 3.431 1.00 0.00 H new ATOM 0 HE ARG A 27 -13.077 -4.694 4.795 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.238 -6.439 2.186 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.648 -7.503 2.158 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -14.980 -6.006 4.988 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.190 -7.274 3.777 1.00 0.00 H new ATOM 298 N LEU A 28 -13.916 1.699 1.431 1.00 0.00 N ATOM 299 CA LEU A 28 -14.072 3.160 1.363 1.00 0.00 C ATOM 300 C LEU A 28 -15.097 3.566 0.296 1.00 0.00 C ATOM 301 O LEU A 28 -16.162 4.052 0.652 1.00 0.00 O ATOM 302 CB LEU A 28 -12.689 3.769 1.133 1.00 0.00 C ATOM 303 CG LEU A 28 -12.687 5.226 0.658 1.00 0.00 C ATOM 304 CD1 LEU A 28 -13.056 6.168 1.811 1.00 0.00 C ATOM 305 CD2 LEU A 28 -11.324 5.615 0.089 1.00 0.00 C ATOM 0 H LEU A 28 -12.957 1.408 1.242 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.473 3.547 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.123 3.706 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.161 3.163 0.397 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.432 5.320 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.050 7.198 1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.050 5.918 2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.331 6.058 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.350 6.654 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.561 5.498 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.086 4.971 -0.758 1.00 0.00 H new ATOM 307 N LYS A 29 -14.827 3.246 -0.968 1.00 0.00 N ATOM 308 CA LYS A 29 -15.718 3.585 -2.085 1.00 0.00 C ATOM 309 C LYS A 29 -17.128 2.950 -1.940 1.00 0.00 C ATOM 310 O LYS A 29 -18.126 3.546 -2.330 1.00 0.00 O ATOM 311 CB LYS A 29 -15.015 3.193 -3.378 1.00 0.00 C ATOM 312 CG LYS A 29 -15.360 4.181 -4.498 1.00 0.00 C ATOM 313 CD LYS A 29 -14.145 4.401 -5.395 1.00 0.00 C ATOM 314 CE LYS A 29 -14.461 5.411 -6.504 1.00 0.00 C ATOM 315 NZ LYS A 29 -13.268 5.678 -7.306 1.00 0.00 N ATOM 0 H LYS A 29 -13.985 2.744 -1.251 1.00 0.00 H new ATOM 0 HA LYS A 29 -15.910 4.658 -2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.937 3.174 -3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.312 2.186 -3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.193 3.798 -5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.683 5.130 -4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.307 4.761 -4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.838 3.453 -5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.256 5.024 -7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.827 6.339 -6.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.498 6.364 -8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.520 6.067 -6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.936 4.793 -7.739 1.00 0.00 H new ATOM 320 N LYS A 30 -17.180 1.852 -1.181 1.00 0.00 N ATOM 321 CA LYS A 30 -18.437 1.174 -0.801 1.00 0.00 C ATOM 322 C LYS A 30 -19.170 1.892 0.361 1.00 0.00 C ATOM 323 O LYS A 30 -20.390 2.056 0.303 1.00 0.00 O ATOM 324 CB LYS A 30 -18.163 -0.303 -0.443 1.00 0.00 C ATOM 325 CG LYS A 30 -17.399 -1.077 -1.532 1.00 0.00 C ATOM 326 CD LYS A 30 -18.145 -1.345 -2.844 1.00 0.00 C ATOM 327 CE LYS A 30 -18.782 -2.732 -2.873 1.00 0.00 C ATOM 328 NZ LYS A 30 -20.075 -2.727 -2.174 1.00 0.00 N ATOM 0 H LYS A 30 -16.347 1.399 -0.806 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.100 1.215 -1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -17.592 -0.342 0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -19.113 -0.803 -0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.489 -0.525 -1.766 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -17.091 -2.036 -1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -18.918 -0.589 -2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.452 -1.248 -3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.923 -3.051 -3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.113 -3.454 -2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -20.038 -3.386 -1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -20.278 -1.768 -1.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -20.825 -3.024 -2.830 1.00 0.00 H new ATOM 333 N LEU A 31 -18.415 2.478 1.294 1.00 0.00 N ATOM 334 CA LEU A 31 -18.965 3.300 2.401 1.00 0.00 C ATOM 335 C LEU A 31 -19.154 4.786 2.028 1.00 0.00 C ATOM 336 O LEU A 31 -19.720 5.562 2.793 1.00 0.00 O ATOM 337 CB LEU A 31 -18.154 3.066 3.694 1.00 0.00 C ATOM 338 CG LEU A 31 -16.988 4.018 4.009 1.00 0.00 C ATOM 339 CD1 LEU A 31 -17.434 5.152 4.935 1.00 0.00 C ATOM 340 CD2 LEU A 31 -15.824 3.266 4.648 1.00 0.00 C ATOM 0 H LEU A 31 -17.398 2.402 1.312 1.00 0.00 H new ATOM 0 HA LEU A 31 -19.982 2.962 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -18.849 3.103 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -17.754 2.053 3.656 1.00 0.00 H new ATOM 0 HG LEU A 31 -16.657 4.446 3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -16.588 5.808 5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -18.229 5.723 4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -17.803 4.733 5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.013 3.963 4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.156 2.802 5.577 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.470 2.495 3.964 1.00 0.00 H new ATOM 342 N VAL A 32 -18.832 5.128 0.779 1.00 0.00 N ATOM 343 CA VAL A 32 -18.995 6.491 0.229 1.00 0.00 C ATOM 344 C VAL A 32 -20.063 6.536 -0.903 1.00 0.00 C ATOM 345 O VAL A 32 -20.392 7.590 -1.421 1.00 0.00 O ATOM 346 CB VAL A 32 -17.617 7.057 -0.203 1.00 0.00 C ATOM 347 CG1 VAL A 32 -17.658 8.506 -0.702 1.00 0.00 C ATOM 348 CG2 VAL A 32 -16.615 7.056 0.954 1.00 0.00 C ATOM 0 H VAL A 32 -18.446 4.465 0.107 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.381 7.143 1.012 1.00 0.00 H new ATOM 0 HB VAL A 32 -17.319 6.393 -1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -16.654 8.822 -0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.316 8.574 -1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -18.034 9.153 0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -15.662 7.460 0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -16.998 7.672 1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -16.470 6.036 1.309 1.00 0.00 H new ATOM 350 N GLY A 33 -20.708 5.390 -1.114 1.00 0.00 N ATOM 351 CA GLY A 33 -21.829 5.242 -2.071 1.00 0.00 C ATOM 352 C GLY A 33 -23.196 5.460 -1.395 1.00 0.00 C ATOM 353 O GLY A 33 -24.120 6.005 -1.989 1.00 0.00 O ATOM 0 H GLY A 33 -20.474 4.525 -0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -21.708 5.957 -2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -21.798 4.247 -2.515 1.00 0.00 H new ATOM 355 N GLU A 34 -23.301 4.945 -0.168 1.00 0.00 N ATOM 356 CA GLU A 34 -24.535 5.003 0.643 1.00 0.00 C ATOM 357 C GLU A 34 -24.310 5.174 2.163 1.00 0.00 C ATOM 358 O GLU A 34 -25.219 4.937 2.949 1.00 0.00 O ATOM 359 CB GLU A 34 -25.406 3.776 0.322 1.00 0.00 C ATOM 360 CG GLU A 34 -24.727 2.409 0.530 1.00 0.00 C ATOM 361 CD GLU A 34 -24.850 1.879 1.958 1.00 0.00 C ATOM 362 OE1 GLU A 34 -25.921 1.543 2.452 1.00 0.00 O ATOM 363 OE2 GLU A 34 -23.689 1.699 2.629 1.00 0.00 O ATOM 0 H GLU A 34 -22.530 4.470 0.301 1.00 0.00 H new ATOM 0 HA GLU A 34 -25.057 5.917 0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -26.302 3.816 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -25.733 3.846 -0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -25.166 1.686 -0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -23.671 2.493 0.272 1.00 0.00 H new ATOM 366 N ARG A 35 -23.132 5.668 2.550 1.00 0.00 N ATOM 367 CA ARG A 35 -22.688 5.830 3.956 1.00 0.00 C ATOM 368 C ARG A 35 -23.117 4.677 4.903 1.00 0.00 C ATOM 369 O ARG A 35 -22.368 3.667 4.911 1.00 0.00 O ATOM 370 CB ARG A 35 -23.078 7.246 4.450 1.00 0.00 C ATOM 371 CG ARG A 35 -22.536 7.569 5.844 1.00 0.00 C ATOM 372 CD ARG A 35 -22.984 8.944 6.364 1.00 0.00 C ATOM 373 NE ARG A 35 -23.106 8.788 7.831 1.00 0.00 N ATOM 374 CZ ARG A 35 -24.269 8.682 8.482 1.00 0.00 C ATOM 375 NH1 ARG A 35 -25.288 9.498 8.242 1.00 0.00 N ATOM 376 NH2 ARG A 35 -24.601 7.465 8.870 1.00 0.00 N ATOM 377 OXT ARG A 35 -24.163 4.786 5.576 1.00 0.00 O ATOM 0 H ARG A 35 -22.430 5.980 1.879 1.00 0.00 H new ATOM 0 HA ARG A 35 -21.601 5.749 3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -22.705 7.986 3.742 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -24.164 7.334 4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -22.865 6.799 6.542 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -21.447 7.534 5.820 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -22.258 9.716 6.110 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -23.934 9.242 5.920 1.00 0.00 H new ATOM 0 HE ARG A 35 -22.247 8.760 8.381 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -25.198 10.234 7.542 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -26.161 9.389 8.757 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -23.983 6.679 8.668 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -25.475 7.311 9.372 1.00 0.00 H new TER 384 ARG A 35