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 Set 1.1: A 2 GLN :FLIP amide:sc= -1.15 F(o=-1.7,f=-1.2) USER MOD Set 1.2: A 6 GLN : amide:sc= 0 X(o=-1.2,f=-1.2) USER MOD Single : A 1 LEU N :NH3+ 141:sc= -0.0754 (180deg=-0.934) USER MOD Single : A 4 MET CE :methyl -179:sc= -1.13 (180deg=-1.16) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0153) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0292 USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 0.0698 (180deg=0.0412) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.2 F(o=-0.95,f=-0.2) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.024) USER MOD Single : A 23 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.6) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc=-0.00409 (180deg=-0.144) USER MOD Single : A 30 LYS NZ :NH3+ -139:sc= -0.0832 (180deg=-1.94!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 24.204 12.405 2.866 1.00 0.00 N ATOM 2 CA LEU A 1 24.064 11.053 3.440 1.00 0.00 C ATOM 3 C LEU A 1 22.606 10.540 3.369 1.00 0.00 C ATOM 4 O LEU A 1 21.672 11.336 3.275 1.00 0.00 O ATOM 5 CB LEU A 1 24.591 10.989 4.890 1.00 0.00 C ATOM 6 CG LEU A 1 23.684 11.618 5.959 1.00 0.00 C ATOM 7 CD1 LEU A 1 23.965 10.969 7.312 1.00 0.00 C ATOM 8 CD2 LEU A 1 23.894 13.131 6.081 1.00 0.00 C ATOM 0 H1 LEU A 1 24.868 12.960 3.443 1.00 0.00 H new ATOM 0 H2 LEU A 1 24.566 12.334 1.893 1.00 0.00 H new ATOM 0 H3 LEU A 1 23.277 12.876 2.857 1.00 0.00 H new ATOM 0 HA LEU A 1 24.679 10.393 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 1 24.757 9.944 5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 1 25.561 11.484 4.926 1.00 0.00 H new ATOM 0 HG LEU A 1 22.652 11.445 5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 1 23.322 11.415 8.070 1.00 0.00 H new ATOM 0 HD12 LEU A 1 23.766 9.899 7.251 1.00 0.00 H new ATOM 0 HD13 LEU A 1 25.009 11.129 7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 1 23.231 13.530 6.849 1.00 0.00 H new ATOM 0 HD22 LEU A 1 24.929 13.334 6.355 1.00 0.00 H new ATOM 0 HD23 LEU A 1 23.671 13.607 5.126 1.00 0.00 H new ATOM 12 N GLN A 2 22.476 9.213 3.403 1.00 0.00 N ATOM 13 CA GLN A 2 21.179 8.480 3.395 1.00 0.00 C ATOM 14 C GLN A 2 20.456 8.630 2.041 1.00 0.00 C ATOM 15 O GLN A 2 19.850 9.649 1.718 1.00 0.00 O ATOM 16 CB GLN A 2 20.312 8.944 4.584 1.00 0.00 C ATOM 17 CG GLN A 2 19.487 7.821 5.195 1.00 0.00 C ATOM 18 CD GLN A 2 17.975 8.012 5.036 1.00 0.00 C ATOM 19 OE1 GLN A 2 17.265 6.914 5.137 1.00 0.00 O flip ATOM 20 NE2 GLN A 2 17.418 9.084 4.870 1.00 0.00 N flip ATOM 0 H GLN A 2 23.282 8.589 3.438 1.00 0.00 H new ATOM 0 HA GLN A 2 21.371 7.414 3.517 1.00 0.00 H new ATOM 0 HB2 GLN A 2 20.957 9.372 5.351 1.00 0.00 H new ATOM 0 HB3 GLN A 2 19.644 9.738 4.251 1.00 0.00 H new ATOM 0 HG2 GLN A 2 19.776 6.877 4.733 1.00 0.00 H new ATOM 0 HG3 GLN A 2 19.725 7.743 6.256 1.00 0.00 H new ATOM 0 HE21 GLN A 2 17.969 9.938 4.791 1.00 0.00 H new ATOM 0 HE22 GLN A 2 16.401 9.126 4.810 1.00 0.00 H new ATOM 24 N ARG A 3 20.691 7.608 1.219 1.00 0.00 N ATOM 25 CA ARG A 3 20.152 7.421 -0.152 1.00 0.00 C ATOM 26 C ARG A 3 20.561 6.037 -0.655 1.00 0.00 C ATOM 27 O ARG A 3 21.599 5.523 -0.230 1.00 0.00 O ATOM 28 CB ARG A 3 20.688 8.444 -1.168 1.00 0.00 C ATOM 29 CG ARG A 3 19.544 9.371 -1.555 1.00 0.00 C ATOM 30 CD ARG A 3 19.791 10.207 -2.811 1.00 0.00 C ATOM 31 NE ARG A 3 19.395 11.595 -2.503 1.00 0.00 N ATOM 32 CZ ARG A 3 18.224 11.980 -1.996 1.00 0.00 C ATOM 33 NH1 ARG A 3 17.066 11.585 -2.511 1.00 0.00 N ATOM 34 NH2 ARG A 3 18.211 13.044 -1.212 1.00 0.00 N ATOM 0 H ARG A 3 21.297 6.836 1.497 1.00 0.00 H new ATOM 0 HA ARG A 3 19.072 7.547 -0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 3 21.510 9.014 -0.736 1.00 0.00 H new ATOM 0 HB3 ARG A 3 21.081 7.936 -2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 3 18.645 8.773 -1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 3 19.343 10.044 -0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 3 20.841 10.163 -3.101 1.00 0.00 H new ATOM 0 HD3 ARG A 3 19.212 9.820 -3.650 1.00 0.00 H new ATOM 0 HE ARG A 3 20.080 12.326 -2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 3 17.053 10.966 -3.322 1.00 0.00 H new ATOM 0 HH12 ARG A 3 16.189 11.900 -2.096 1.00 0.00 H new ATOM 0 HH21 ARG A 3 19.079 13.541 -1.013 1.00 0.00 H new ATOM 0 HH22 ARG A 3 17.333 13.368 -0.806 1.00 0.00 H new ATOM 41 N MET A 4 19.602 5.376 -1.292 1.00 0.00 N ATOM 42 CA MET A 4 19.712 4.003 -1.860 1.00 0.00 C ATOM 43 C MET A 4 19.673 2.874 -0.825 1.00 0.00 C ATOM 44 O MET A 4 18.955 1.886 -1.000 1.00 0.00 O ATOM 45 CB MET A 4 20.923 3.869 -2.785 1.00 0.00 C ATOM 46 CG MET A 4 20.554 3.261 -4.143 1.00 0.00 C ATOM 47 SD MET A 4 19.142 4.050 -5.009 1.00 0.00 S ATOM 48 CE MET A 4 19.544 5.790 -4.956 1.00 0.00 C ATOM 0 H MET A 4 18.680 5.784 -1.443 1.00 0.00 H new ATOM 0 HA MET A 4 18.806 3.876 -2.452 1.00 0.00 H new ATOM 0 HB2 MET A 4 21.370 4.851 -2.939 1.00 0.00 H new ATOM 0 HB3 MET A 4 21.678 3.247 -2.304 1.00 0.00 H new ATOM 0 HG2 MET A 4 21.428 3.310 -4.792 1.00 0.00 H new ATOM 0 HG3 MET A 4 20.324 2.206 -3.998 1.00 0.00 H new ATOM 0 HE1 MET A 4 18.749 6.362 -5.435 1.00 0.00 H new ATOM 0 HE2 MET A 4 19.645 6.109 -3.919 1.00 0.00 H new ATOM 0 HE3 MET A 4 20.483 5.963 -5.482 1.00 0.00 H new ATOM 50 N LYS A 5 20.157 3.219 0.365 1.00 0.00 N ATOM 51 CA LYS A 5 20.199 2.329 1.530 1.00 0.00 C ATOM 52 C LYS A 5 18.815 2.213 2.208 1.00 0.00 C ATOM 53 O LYS A 5 18.456 1.148 2.694 1.00 0.00 O ATOM 54 CB LYS A 5 21.250 2.850 2.502 1.00 0.00 C ATOM 55 CG LYS A 5 21.890 1.696 3.279 1.00 0.00 C ATOM 56 CD LYS A 5 22.978 2.215 4.226 1.00 0.00 C ATOM 57 CE LYS A 5 24.223 2.692 3.481 1.00 0.00 C ATOM 58 NZ LYS A 5 24.955 3.625 4.363 1.00 0.00 N ATOM 0 H LYS A 5 20.540 4.145 0.554 1.00 0.00 H new ATOM 0 HA LYS A 5 20.468 1.324 1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 5 22.018 3.397 1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 5 20.792 3.553 3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 5 21.126 1.168 3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 5 22.321 0.977 2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 5 22.577 3.036 4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 5 23.256 1.424 4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 5 24.855 1.845 3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 5 23.944 3.187 2.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 25.809 3.965 3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 24.344 4.434 4.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 25.227 3.134 5.238 1.00 0.00 H new ATOM 63 N GLN A 6 18.053 3.305 2.205 1.00 0.00 N ATOM 64 CA GLN A 6 16.628 3.270 2.614 1.00 0.00 C ATOM 65 C GLN A 6 15.717 2.977 1.434 1.00 0.00 C ATOM 66 O GLN A 6 14.782 2.192 1.570 1.00 0.00 O ATOM 67 CB GLN A 6 16.203 4.559 3.332 1.00 0.00 C ATOM 68 CG GLN A 6 14.705 4.580 3.668 1.00 0.00 C ATOM 69 CD GLN A 6 14.363 5.348 4.942 1.00 0.00 C ATOM 70 OE1 GLN A 6 14.492 4.860 6.046 1.00 0.00 O ATOM 71 NE2 GLN A 6 13.963 6.596 4.804 1.00 0.00 N ATOM 0 H GLN A 6 18.386 4.228 1.927 1.00 0.00 H new ATOM 0 HA GLN A 6 16.525 2.452 3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 6 16.779 4.666 4.251 1.00 0.00 H new ATOM 0 HB3 GLN A 6 16.443 5.417 2.704 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.162 5.023 2.833 1.00 0.00 H new ATOM 0 HG3 GLN A 6 14.352 3.554 3.769 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.857 6.998 3.872 1.00 0.00 H new ATOM 0 HE22 GLN A 6 13.759 7.160 5.629 1.00 0.00 H new ATOM 75 N LEU A 7 16.058 3.505 0.259 1.00 0.00 N ATOM 76 CA LEU A 7 15.222 3.318 -0.950 1.00 0.00 C ATOM 77 C LEU A 7 14.929 1.831 -1.230 1.00 0.00 C ATOM 78 O LEU A 7 13.760 1.501 -1.272 1.00 0.00 O ATOM 79 CB LEU A 7 15.778 4.062 -2.169 1.00 0.00 C ATOM 80 CG LEU A 7 16.051 5.542 -1.883 1.00 0.00 C ATOM 81 CD1 LEU A 7 16.600 6.229 -3.129 1.00 0.00 C ATOM 82 CD2 LEU A 7 14.827 6.330 -1.419 1.00 0.00 C ATOM 0 H LEU A 7 16.898 4.063 0.108 1.00 0.00 H new ATOM 0 HA LEU A 7 14.258 3.780 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.702 3.582 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 7 15.070 3.980 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 7 16.773 5.542 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 7 16.789 7.280 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.530 5.747 -3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 7 15.873 6.151 -3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.109 7.367 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.056 6.292 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 7 14.441 5.894 -0.498 1.00 0.00 H new ATOM 84 N GLU A 8 15.887 0.950 -0.919 1.00 0.00 N ATOM 85 CA GLU A 8 15.670 -0.517 -0.950 1.00 0.00 C ATOM 86 C GLU A 8 14.496 -1.018 -0.069 1.00 0.00 C ATOM 87 O GLU A 8 13.544 -1.627 -0.575 1.00 0.00 O ATOM 88 CB GLU A 8 16.999 -1.198 -0.619 1.00 0.00 C ATOM 89 CG GLU A 8 16.894 -2.720 -0.481 1.00 0.00 C ATOM 90 CD GLU A 8 18.015 -3.508 -1.178 1.00 0.00 C ATOM 91 OE1 GLU A 8 17.838 -4.653 -1.572 1.00 0.00 O ATOM 92 OE2 GLU A 8 19.204 -2.913 -1.345 1.00 0.00 O ATOM 0 H GLU A 8 16.830 1.222 -0.640 1.00 0.00 H new ATOM 0 HA GLU A 8 15.348 -0.792 -1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 8 17.722 -0.962 -1.400 1.00 0.00 H new ATOM 0 HB3 GLU A 8 17.387 -0.784 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.894 -2.976 0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.935 -3.043 -0.887 1.00 0.00 H new ATOM 95 N ASP A 9 14.498 -0.618 1.203 1.00 0.00 N ATOM 96 CA ASP A 9 13.446 -0.973 2.188 1.00 0.00 C ATOM 97 C ASP A 9 12.133 -0.183 2.036 1.00 0.00 C ATOM 98 O ASP A 9 11.054 -0.692 2.338 1.00 0.00 O ATOM 99 CB ASP A 9 13.972 -0.916 3.635 1.00 0.00 C ATOM 100 CG ASP A 9 14.936 0.232 3.923 1.00 0.00 C ATOM 101 OD1 ASP A 9 14.576 1.339 4.318 1.00 0.00 O ATOM 102 OD2 ASP A 9 16.211 -0.027 3.565 1.00 0.00 O ATOM 0 H ASP A 9 15.234 -0.031 1.595 1.00 0.00 H new ATOM 0 HA ASP A 9 13.187 -2.006 1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.122 -0.836 4.312 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.473 -1.857 3.862 1.00 0.00 H new ATOM 105 N LYS A 10 12.245 0.983 1.421 1.00 0.00 N ATOM 106 CA LYS A 10 11.121 1.877 1.059 1.00 0.00 C ATOM 107 C LYS A 10 10.428 1.455 -0.256 1.00 0.00 C ATOM 108 O LYS A 10 9.207 1.538 -0.345 1.00 0.00 O ATOM 109 CB LYS A 10 11.728 3.282 1.102 1.00 0.00 C ATOM 110 CG LYS A 10 10.973 4.454 0.466 1.00 0.00 C ATOM 111 CD LYS A 10 11.224 4.497 -1.044 1.00 0.00 C ATOM 112 CE LYS A 10 11.271 5.924 -1.608 1.00 0.00 C ATOM 113 NZ LYS A 10 10.020 6.639 -1.363 1.00 0.00 N ATOM 0 H LYS A 10 13.151 1.361 1.143 1.00 0.00 H new ATOM 0 HA LYS A 10 10.278 1.828 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.896 3.533 2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.707 3.229 0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 10 9.905 4.355 0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.294 5.391 0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 10 12.166 3.995 -1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 10 10.439 3.938 -1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 10 12.098 6.469 -1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.466 5.886 -2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.054 7.568 -1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.225 6.088 -1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.890 6.770 -0.340 1.00 0.00 H new ATOM 118 N VAL A 11 11.191 0.885 -1.189 1.00 0.00 N ATOM 119 CA VAL A 11 10.723 0.360 -2.495 1.00 0.00 C ATOM 120 C VAL A 11 9.818 -0.871 -2.314 1.00 0.00 C ATOM 121 O VAL A 11 8.723 -0.921 -2.872 1.00 0.00 O ATOM 122 CB VAL A 11 11.914 0.134 -3.452 1.00 0.00 C ATOM 123 CG1 VAL A 11 11.627 -0.778 -4.650 1.00 0.00 C ATOM 124 CG2 VAL A 11 12.367 1.479 -4.020 1.00 0.00 C ATOM 0 H VAL A 11 12.196 0.766 -1.061 1.00 0.00 H new ATOM 0 HA VAL A 11 10.093 1.109 -2.974 1.00 0.00 H new ATOM 0 HB VAL A 11 12.671 -0.359 -2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.526 -0.872 -5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.326 -1.763 -4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.825 -0.348 -5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 11 13.208 1.324 -4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.543 1.940 -4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.674 2.134 -3.204 1.00 0.00 H new ATOM 126 N GLU A 12 10.254 -1.785 -1.447 1.00 0.00 N ATOM 127 CA GLU A 12 9.422 -2.943 -1.088 1.00 0.00 C ATOM 128 C GLU A 12 8.160 -2.512 -0.311 1.00 0.00 C ATOM 129 O GLU A 12 7.047 -2.853 -0.713 1.00 0.00 O ATOM 130 CB GLU A 12 10.236 -4.011 -0.353 1.00 0.00 C ATOM 131 CG GLU A 12 9.424 -5.242 0.062 1.00 0.00 C ATOM 132 CD GLU A 12 8.538 -5.807 -1.057 1.00 0.00 C ATOM 133 OE1 GLU A 12 8.977 -6.221 -2.124 1.00 0.00 O ATOM 134 OE2 GLU A 12 7.211 -5.785 -0.823 1.00 0.00 O ATOM 0 H GLU A 12 11.163 -1.752 -0.985 1.00 0.00 H new ATOM 0 HA GLU A 12 9.072 -3.404 -2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.058 -4.331 -0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.680 -3.565 0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.109 -6.021 0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.795 -4.981 0.913 1.00 0.00 H new ATOM 137 N GLU A 13 8.363 -1.565 0.613 1.00 0.00 N ATOM 138 CA GLU A 13 7.263 -0.999 1.404 1.00 0.00 C ATOM 139 C GLU A 13 6.173 -0.334 0.532 1.00 0.00 C ATOM 140 O GLU A 13 5.001 -0.433 0.893 1.00 0.00 O ATOM 141 CB GLU A 13 7.802 -0.007 2.440 1.00 0.00 C ATOM 142 CG GLU A 13 7.188 -0.282 3.820 1.00 0.00 C ATOM 143 CD GLU A 13 7.610 0.728 4.885 1.00 0.00 C ATOM 144 OE1 GLU A 13 8.439 1.620 4.711 1.00 0.00 O ATOM 145 OE2 GLU A 13 6.982 0.631 6.080 1.00 0.00 O ATOM 0 H GLU A 13 9.279 -1.174 0.832 1.00 0.00 H new ATOM 0 HA GLU A 13 6.786 -1.833 1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.888 -0.086 2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.572 1.012 2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.101 -0.275 3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.475 -1.282 4.144 1.00 0.00 H new ATOM 148 N LEU A 14 6.520 0.059 -0.690 1.00 0.00 N ATOM 149 CA LEU A 14 5.568 0.656 -1.648 1.00 0.00 C ATOM 150 C LEU A 14 4.442 -0.313 -1.990 1.00 0.00 C ATOM 151 O LEU A 14 3.296 -0.023 -1.675 1.00 0.00 O ATOM 152 CB LEU A 14 6.202 1.112 -2.973 1.00 0.00 C ATOM 153 CG LEU A 14 7.324 2.145 -2.818 1.00 0.00 C ATOM 154 CD1 LEU A 14 7.846 2.512 -4.197 1.00 0.00 C ATOM 155 CD2 LEU A 14 6.913 3.392 -2.025 1.00 0.00 C ATOM 0 H LEU A 14 7.469 -0.024 -1.054 1.00 0.00 H new ATOM 0 HA LEU A 14 5.191 1.538 -1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.598 0.239 -3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.423 1.533 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 14 8.115 1.686 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.645 3.247 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.232 1.619 -4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.036 2.933 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.759 4.076 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.085 3.888 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.603 3.099 -1.022 1.00 0.00 H new ATOM 157 N LEU A 15 4.783 -1.480 -2.533 1.00 0.00 N ATOM 158 CA LEU A 15 3.799 -2.517 -2.916 1.00 0.00 C ATOM 159 C LEU A 15 2.975 -2.954 -1.698 1.00 0.00 C ATOM 160 O LEU A 15 1.756 -2.791 -1.716 1.00 0.00 O ATOM 161 CB LEU A 15 4.458 -3.749 -3.548 1.00 0.00 C ATOM 162 CG LEU A 15 5.553 -3.438 -4.573 1.00 0.00 C ATOM 163 CD1 LEU A 15 5.982 -4.746 -5.239 1.00 0.00 C ATOM 164 CD2 LEU A 15 5.155 -2.422 -5.663 1.00 0.00 C ATOM 0 H LEU A 15 5.750 -1.744 -2.724 1.00 0.00 H new ATOM 0 HA LEU A 15 3.148 -2.064 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.886 -4.362 -2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.687 -4.348 -4.032 1.00 0.00 H new ATOM 0 HG LEU A 15 6.365 -2.969 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.762 -4.542 -5.972 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.365 -5.431 -4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.125 -5.199 -5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.995 -2.267 -6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.302 -2.805 -6.224 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.886 -1.474 -5.196 1.00 0.00 H new ATOM 166 N SER A 16 3.658 -3.279 -0.613 1.00 0.00 N ATOM 167 CA SER A 16 3.053 -3.608 0.702 1.00 0.00 C ATOM 168 C SER A 16 2.033 -2.557 1.191 1.00 0.00 C ATOM 169 O SER A 16 0.977 -2.917 1.708 1.00 0.00 O ATOM 170 CB SER A 16 4.161 -3.741 1.750 1.00 0.00 C ATOM 171 OG SER A 16 5.214 -4.547 1.194 1.00 0.00 O ATOM 0 H SER A 16 4.677 -3.327 -0.604 1.00 0.00 H new ATOM 0 HA SER A 16 2.512 -4.545 0.569 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.541 -2.758 2.027 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.771 -4.200 2.659 1.00 0.00 H new ATOM 0 HG SER A 16 5.935 -4.642 1.851 1.00 0.00 H new ATOM 174 N LYS A 17 2.327 -1.287 0.915 1.00 0.00 N ATOM 175 CA LYS A 17 1.425 -0.150 1.201 1.00 0.00 C ATOM 176 C LYS A 17 0.331 0.028 0.152 1.00 0.00 C ATOM 177 O LYS A 17 -0.827 0.125 0.506 1.00 0.00 O ATOM 178 CB LYS A 17 2.168 1.181 1.351 1.00 0.00 C ATOM 179 CG LYS A 17 3.045 1.199 2.602 1.00 0.00 C ATOM 180 CD LYS A 17 3.612 2.593 2.868 1.00 0.00 C ATOM 181 CE LYS A 17 4.764 2.559 3.873 1.00 0.00 C ATOM 182 NZ LYS A 17 4.415 1.785 5.068 1.00 0.00 N ATOM 0 H LYS A 17 3.206 -1.006 0.481 1.00 0.00 H new ATOM 0 HA LYS A 17 0.965 -0.414 2.153 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.786 1.354 0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.447 1.997 1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.461 0.873 3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.863 0.489 2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.961 3.028 1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.821 3.241 3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.646 2.124 3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.026 3.577 4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.200 1.826 5.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.558 2.184 5.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.239 0.795 4.801 1.00 0.00 H new ATOM 187 N ASN A 18 0.692 0.034 -1.131 1.00 0.00 N ATOM 188 CA ASN A 18 -0.252 0.169 -2.257 1.00 0.00 C ATOM 189 C ASN A 18 -1.318 -0.945 -2.279 1.00 0.00 C ATOM 190 O ASN A 18 -2.509 -0.654 -2.328 1.00 0.00 O ATOM 191 CB ASN A 18 0.523 0.224 -3.574 1.00 0.00 C ATOM 192 CG ASN A 18 -0.282 1.007 -4.619 1.00 0.00 C ATOM 193 OD1 ASN A 18 -0.580 2.254 -4.322 1.00 0.00 O flip ATOM 194 ND2 ASN A 18 -0.654 0.505 -5.669 1.00 0.00 N flip ATOM 0 H ASN A 18 1.663 -0.056 -1.430 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.798 1.102 -2.122 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.491 0.699 -3.417 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.718 -0.786 -3.934 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.415 -0.463 -5.884 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.204 1.054 -6.330 1.00 0.00 H new ATOM 198 N TYR A 19 -0.864 -2.175 -2.011 1.00 0.00 N ATOM 199 CA TYR A 19 -1.740 -3.346 -1.796 1.00 0.00 C ATOM 200 C TYR A 19 -2.719 -3.129 -0.617 1.00 0.00 C ATOM 201 O TYR A 19 -3.929 -3.163 -0.809 1.00 0.00 O ATOM 202 CB TYR A 19 -0.914 -4.614 -1.604 1.00 0.00 C ATOM 203 CG TYR A 19 -0.285 -5.158 -2.902 1.00 0.00 C ATOM 204 CD1 TYR A 19 -1.070 -5.278 -4.060 1.00 0.00 C ATOM 205 CD2 TYR A 19 1.063 -5.609 -2.875 1.00 0.00 C ATOM 206 CE1 TYR A 19 -0.521 -5.852 -5.221 1.00 0.00 C ATOM 207 CE2 TYR A 19 1.623 -6.184 -4.036 1.00 0.00 C ATOM 208 CZ TYR A 19 0.818 -6.293 -5.197 1.00 0.00 C ATOM 209 OH TYR A 19 1.353 -6.830 -6.329 1.00 0.00 O ATOM 0 H TYR A 19 0.129 -2.393 -1.935 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.347 -3.468 -2.693 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.120 -4.412 -0.885 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.549 -5.386 -1.169 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.093 -4.931 -4.059 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.653 -5.513 -1.975 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.116 -5.953 -6.117 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.645 -6.534 -4.039 1.00 0.00 H new ATOM 0 HH TYR A 19 2.284 -7.087 -6.161 1.00 0.00 H new ATOM 212 N HIS A 20 -2.179 -2.604 0.489 1.00 0.00 N ATOM 213 CA HIS A 20 -2.950 -2.206 1.686 1.00 0.00 C ATOM 214 C HIS A 20 -3.921 -1.024 1.421 1.00 0.00 C ATOM 215 O HIS A 20 -5.035 -0.972 1.959 1.00 0.00 O ATOM 216 CB HIS A 20 -1.900 -1.977 2.789 1.00 0.00 C ATOM 217 CG HIS A 20 -2.119 -0.822 3.769 1.00 0.00 C ATOM 218 ND1 HIS A 20 -2.478 -0.923 5.042 1.00 0.00 N ATOM 219 CD2 HIS A 20 -2.016 0.469 3.476 1.00 0.00 C ATOM 220 CE1 HIS A 20 -2.648 0.303 5.533 1.00 0.00 C ATOM 221 NE2 HIS A 20 -2.373 1.163 4.553 1.00 0.00 N ATOM 0 H HIS A 20 -1.177 -2.439 0.585 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.648 -2.980 2.005 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.822 -2.896 3.370 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.936 -1.824 2.304 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.698 0.882 2.530 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.952 0.554 6.538 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.427 2.180 4.618 1.00 0.00 H new ATOM 225 N LEU A 21 -3.512 -0.118 0.546 1.00 0.00 N ATOM 226 CA LEU A 21 -4.255 1.087 0.116 1.00 0.00 C ATOM 227 C LEU A 21 -5.473 0.721 -0.730 1.00 0.00 C ATOM 228 O LEU A 21 -6.579 1.206 -0.470 1.00 0.00 O ATOM 229 CB LEU A 21 -3.277 2.015 -0.633 1.00 0.00 C ATOM 230 CG LEU A 21 -3.945 3.127 -1.453 1.00 0.00 C ATOM 231 CD1 LEU A 21 -4.593 4.209 -0.581 1.00 0.00 C ATOM 232 CD2 LEU A 21 -2.933 3.731 -2.430 1.00 0.00 C ATOM 0 H LEU A 21 -2.606 -0.195 0.084 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.649 1.613 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.604 2.472 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.663 1.410 -1.300 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.760 2.672 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.048 4.966 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.359 3.758 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.833 4.673 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.413 4.520 -3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.094 4.149 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.570 2.955 -3.104 1.00 0.00 H new ATOM 234 N GLU A 22 -5.262 -0.177 -1.688 1.00 0.00 N ATOM 235 CA GLU A 22 -6.360 -0.723 -2.508 1.00 0.00 C ATOM 236 C GLU A 22 -7.473 -1.399 -1.684 1.00 0.00 C ATOM 237 O GLU A 22 -8.657 -1.170 -1.928 1.00 0.00 O ATOM 238 CB GLU A 22 -5.844 -1.649 -3.616 1.00 0.00 C ATOM 239 CG GLU A 22 -5.888 -0.942 -4.973 1.00 0.00 C ATOM 240 CD GLU A 22 -7.289 -0.395 -5.309 1.00 0.00 C ATOM 241 OE1 GLU A 22 -7.454 0.742 -5.749 1.00 0.00 O ATOM 242 OE2 GLU A 22 -8.343 -1.184 -5.053 1.00 0.00 O ATOM 0 H GLU A 22 -4.341 -0.548 -1.923 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.822 0.143 -2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.822 -1.957 -3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.450 -2.555 -3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.171 -0.121 -4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.577 -1.638 -5.752 1.00 0.00 H new ATOM 245 N ASN A 23 -7.055 -1.960 -0.550 1.00 0.00 N ATOM 246 CA ASN A 23 -7.972 -2.554 0.455 1.00 0.00 C ATOM 247 C ASN A 23 -8.877 -1.486 1.076 1.00 0.00 C ATOM 248 O ASN A 23 -10.104 -1.646 1.128 1.00 0.00 O ATOM 249 CB ASN A 23 -7.192 -3.241 1.580 1.00 0.00 C ATOM 250 CG ASN A 23 -6.213 -4.333 1.117 1.00 0.00 C ATOM 251 OD1 ASN A 23 -6.123 -4.741 -0.029 1.00 0.00 O ATOM 252 ND2 ASN A 23 -5.457 -4.851 2.063 1.00 0.00 N ATOM 0 H ASN A 23 -6.071 -2.022 -0.290 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.580 -3.290 -0.070 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.634 -2.483 2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.903 -3.683 2.278 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.796 -5.594 1.838 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.533 -4.509 3.021 1.00 0.00 H new ATOM 256 N GLU A 24 -8.269 -0.352 1.452 1.00 0.00 N ATOM 257 CA GLU A 24 -9.003 0.792 2.014 1.00 0.00 C ATOM 258 C GLU A 24 -10.029 1.372 1.041 1.00 0.00 C ATOM 259 O GLU A 24 -11.207 1.359 1.372 1.00 0.00 O ATOM 260 CB GLU A 24 -8.026 1.879 2.497 1.00 0.00 C ATOM 261 CG GLU A 24 -8.341 2.271 3.939 1.00 0.00 C ATOM 262 CD GLU A 24 -8.170 1.085 4.895 1.00 0.00 C ATOM 263 OE1 GLU A 24 -7.089 0.524 5.068 1.00 0.00 O ATOM 264 OE2 GLU A 24 -9.287 0.622 5.493 1.00 0.00 O ATOM 0 H GLU A 24 -7.263 -0.202 1.376 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.565 0.418 2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.001 1.514 2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.097 2.754 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.685 3.085 4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.363 2.644 4.000 1.00 0.00 H new ATOM 267 N VAL A 25 -9.602 1.647 -0.191 1.00 0.00 N ATOM 268 CA VAL A 25 -10.466 2.049 -1.335 1.00 0.00 C ATOM 269 C VAL A 25 -11.741 1.185 -1.428 1.00 0.00 C ATOM 270 O VAL A 25 -12.827 1.742 -1.542 1.00 0.00 O ATOM 271 CB VAL A 25 -9.665 2.058 -2.655 1.00 0.00 C ATOM 272 CG1 VAL A 25 -10.516 2.451 -3.863 1.00 0.00 C ATOM 273 CG2 VAL A 25 -8.483 3.037 -2.583 1.00 0.00 C ATOM 0 H VAL A 25 -8.615 1.599 -0.444 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.804 3.069 -1.153 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.312 1.035 -2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.899 2.440 -4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.336 1.742 -3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.920 3.452 -3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.939 3.020 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.856 4.044 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.815 2.742 -1.774 1.00 0.00 H new ATOM 275 N ALA A 26 -11.596 -0.119 -1.172 1.00 0.00 N ATOM 276 CA ALA A 26 -12.742 -1.057 -1.112 1.00 0.00 C ATOM 277 C ALA A 26 -13.683 -0.744 0.060 1.00 0.00 C ATOM 278 O ALA A 26 -14.728 -0.149 -0.179 1.00 0.00 O ATOM 279 CB ALA A 26 -12.237 -2.501 -1.094 1.00 0.00 C ATOM 0 H ALA A 26 -10.692 -0.560 -1.001 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.343 -0.926 -2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.086 -3.183 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.661 -2.696 -1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.603 -2.654 -0.221 1.00 0.00 H new ATOM 281 N ARG A 27 -13.237 -0.949 1.308 1.00 0.00 N ATOM 282 CA ARG A 27 -14.032 -0.620 2.520 1.00 0.00 C ATOM 283 C ARG A 27 -14.595 0.814 2.526 1.00 0.00 C ATOM 284 O ARG A 27 -15.751 1.042 2.895 1.00 0.00 O ATOM 285 CB ARG A 27 -13.191 -0.927 3.766 1.00 0.00 C ATOM 286 CG ARG A 27 -14.009 -0.853 5.049 1.00 0.00 C ATOM 287 CD ARG A 27 -13.333 -1.604 6.196 1.00 0.00 C ATOM 288 NE ARG A 27 -14.218 -1.605 7.368 1.00 0.00 N ATOM 289 CZ ARG A 27 -14.108 -2.406 8.424 1.00 0.00 C ATOM 290 NH1 ARG A 27 -12.923 -2.753 8.882 1.00 0.00 N ATOM 291 NH2 ARG A 27 -15.136 -2.541 9.266 1.00 0.00 N ATOM 0 H ARG A 27 -12.320 -1.345 1.515 1.00 0.00 H new ATOM 0 HA ARG A 27 -14.921 -1.251 2.519 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -12.756 -1.922 3.672 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -12.362 -0.221 3.825 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -14.150 0.190 5.331 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -15.000 -1.273 4.873 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.111 -2.627 5.894 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -12.383 -1.131 6.445 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.985 -0.932 7.373 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.079 -2.407 8.426 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.850 -3.368 9.693 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -16.003 -2.030 9.098 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.054 -3.155 10.077 1.00 0.00 H new ATOM 298 N LEU A 28 -13.822 1.735 1.953 1.00 0.00 N ATOM 299 CA LEU A 28 -14.184 3.134 1.670 1.00 0.00 C ATOM 300 C LEU A 28 -15.367 3.251 0.697 1.00 0.00 C ATOM 301 O LEU A 28 -16.376 3.871 1.012 1.00 0.00 O ATOM 302 CB LEU A 28 -12.925 3.868 1.179 1.00 0.00 C ATOM 303 CG LEU A 28 -13.184 5.145 0.381 1.00 0.00 C ATOM 304 CD1 LEU A 28 -13.717 6.267 1.273 1.00 0.00 C ATOM 305 CD2 LEU A 28 -11.908 5.592 -0.332 1.00 0.00 C ATOM 0 H LEU A 28 -12.871 1.518 1.655 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.538 3.611 2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.310 4.118 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.344 3.184 0.561 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.948 4.923 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.890 7.159 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.654 5.952 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.988 6.490 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.107 6.503 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.128 5.785 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.578 4.808 -1.013 1.00 0.00 H new ATOM 307 N LYS A 29 -15.234 2.673 -0.497 1.00 0.00 N ATOM 308 CA LYS A 29 -16.317 2.684 -1.499 1.00 0.00 C ATOM 309 C LYS A 29 -17.579 1.932 -1.021 1.00 0.00 C ATOM 310 O LYS A 29 -18.691 2.362 -1.305 1.00 0.00 O ATOM 311 CB LYS A 29 -15.761 2.124 -2.813 1.00 0.00 C ATOM 312 CG LYS A 29 -16.392 2.854 -4.001 1.00 0.00 C ATOM 313 CD LYS A 29 -15.360 3.098 -5.097 1.00 0.00 C ATOM 314 CE LYS A 29 -15.948 3.870 -6.289 1.00 0.00 C ATOM 315 NZ LYS A 29 -16.328 5.234 -5.893 1.00 0.00 N ATOM 0 H LYS A 29 -14.389 2.189 -0.801 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.651 3.710 -1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.677 2.240 -2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.969 1.056 -2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -17.219 2.265 -4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.809 3.805 -3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.520 3.656 -4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.968 2.142 -5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.217 3.912 -7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.820 3.342 -6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.546 5.794 -6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.166 5.196 -5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.541 5.678 -5.378 1.00 0.00 H new ATOM 320 N LYS A 30 -17.381 1.000 -0.091 1.00 0.00 N ATOM 321 CA LYS A 30 -18.459 0.322 0.662 1.00 0.00 C ATOM 322 C LYS A 30 -19.189 1.243 1.656 1.00 0.00 C ATOM 323 O LYS A 30 -20.355 1.014 1.979 1.00 0.00 O ATOM 324 CB LYS A 30 -17.961 -0.924 1.402 1.00 0.00 C ATOM 325 CG LYS A 30 -17.919 -2.241 0.602 1.00 0.00 C ATOM 326 CD LYS A 30 -16.775 -2.352 -0.415 1.00 0.00 C ATOM 327 CE LYS A 30 -16.474 -3.808 -0.823 1.00 0.00 C ATOM 328 NZ LYS A 30 -15.298 -4.331 -0.111 1.00 0.00 N ATOM 0 H LYS A 30 -16.449 0.681 0.173 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.174 0.021 -0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -16.956 -0.720 1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -18.597 -1.077 2.274 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -17.842 -3.071 1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -18.866 -2.357 0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.029 -1.776 -1.305 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.875 -1.905 0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.340 -4.434 -0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.303 -3.859 -1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.716 -4.890 -0.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.736 -3.539 0.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.609 -4.934 0.677 1.00 0.00 H new ATOM 333 N LEU A 31 -18.570 2.358 2.062 1.00 0.00 N ATOM 334 CA LEU A 31 -19.213 3.367 2.945 1.00 0.00 C ATOM 335 C LEU A 31 -20.373 4.100 2.230 1.00 0.00 C ATOM 336 O LEU A 31 -21.388 4.386 2.865 1.00 0.00 O ATOM 337 CB LEU A 31 -18.214 4.403 3.485 1.00 0.00 C ATOM 338 CG LEU A 31 -17.048 3.781 4.269 1.00 0.00 C ATOM 339 CD1 LEU A 31 -16.032 4.875 4.632 1.00 0.00 C ATOM 340 CD2 LEU A 31 -17.489 3.041 5.527 1.00 0.00 C ATOM 0 H LEU A 31 -17.614 2.595 1.795 1.00 0.00 H new ATOM 0 HA LEU A 31 -19.612 2.805 3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -17.814 4.979 2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -18.743 5.103 4.131 1.00 0.00 H new ATOM 0 HG LEU A 31 -16.591 3.035 3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.205 4.433 5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -15.651 5.335 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -16.518 5.634 5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -16.615 2.627 6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -18.000 3.733 6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -18.167 2.233 5.255 1.00 0.00 H new ATOM 342 N VAL A 32 -20.284 4.160 0.901 1.00 0.00 N ATOM 343 CA VAL A 32 -21.354 4.698 0.022 1.00 0.00 C ATOM 344 C VAL A 32 -22.407 3.620 -0.311 1.00 0.00 C ATOM 345 O VAL A 32 -23.315 3.813 -1.112 1.00 0.00 O ATOM 346 CB VAL A 32 -20.699 5.345 -1.231 1.00 0.00 C ATOM 347 CG1 VAL A 32 -21.693 6.030 -2.170 1.00 0.00 C ATOM 348 CG2 VAL A 32 -19.652 6.404 -0.844 1.00 0.00 C ATOM 0 H VAL A 32 -19.464 3.836 0.387 1.00 0.00 H new ATOM 0 HA VAL A 32 -21.910 5.478 0.542 1.00 0.00 H new ATOM 0 HB VAL A 32 -20.242 4.502 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -21.158 6.456 -3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -22.418 5.299 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -22.213 6.824 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -19.217 6.833 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -20.130 7.192 -0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.866 5.938 -0.249 1.00 0.00 H new ATOM 350 N GLY A 33 -22.353 2.499 0.428 1.00 0.00 N ATOM 351 CA GLY A 33 -23.304 1.385 0.345 1.00 0.00 C ATOM 352 C GLY A 33 -24.363 1.403 1.475 1.00 0.00 C ATOM 353 O GLY A 33 -25.402 0.772 1.349 1.00 0.00 O ATOM 0 H GLY A 33 -21.621 2.341 1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.810 1.419 -0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.756 0.444 0.384 1.00 0.00 H new ATOM 355 N GLU A 34 -24.034 2.083 2.567 1.00 0.00 N ATOM 356 CA GLU A 34 -24.930 2.204 3.736 1.00 0.00 C ATOM 357 C GLU A 34 -25.589 3.588 3.836 1.00 0.00 C ATOM 358 O GLU A 34 -26.627 3.821 3.223 1.00 0.00 O ATOM 359 CB GLU A 34 -24.224 1.782 5.034 1.00 0.00 C ATOM 360 CG GLU A 34 -24.079 0.263 5.148 1.00 0.00 C ATOM 361 CD GLU A 34 -23.730 -0.124 6.587 1.00 0.00 C ATOM 362 OE1 GLU A 34 -24.454 0.142 7.540 1.00 0.00 O ATOM 363 OE2 GLU A 34 -22.551 -0.747 6.777 1.00 0.00 O ATOM 0 H GLU A 34 -23.144 2.569 2.678 1.00 0.00 H new ATOM 0 HA GLU A 34 -25.750 1.503 3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -23.237 2.243 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -24.786 2.156 5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -25.007 -0.223 4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -23.301 -0.088 4.470 1.00 0.00 H new ATOM 366 N ARG A 35 -24.926 4.527 4.523 1.00 0.00 N ATOM 367 CA ARG A 35 -25.404 5.909 4.722 1.00 0.00 C ATOM 368 C ARG A 35 -25.885 6.619 3.434 1.00 0.00 C ATOM 369 O ARG A 35 -25.023 7.037 2.635 1.00 0.00 O ATOM 370 CB ARG A 35 -24.290 6.724 5.387 1.00 0.00 C ATOM 371 CG ARG A 35 -24.688 7.312 6.744 1.00 0.00 C ATOM 372 CD ARG A 35 -25.684 8.471 6.662 1.00 0.00 C ATOM 373 NE ARG A 35 -25.815 8.980 8.033 1.00 0.00 N ATOM 374 CZ ARG A 35 -26.862 9.606 8.586 1.00 0.00 C ATOM 375 NH1 ARG A 35 -27.766 10.255 7.876 1.00 0.00 N ATOM 376 NH2 ARG A 35 -27.231 9.205 9.792 1.00 0.00 N ATOM 377 OXT ARG A 35 -27.129 6.744 3.293 1.00 0.00 O ATOM 0 H ARG A 35 -24.025 4.348 4.966 1.00 0.00 H new ATOM 0 HA ARG A 35 -26.287 5.844 5.358 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -23.415 6.088 5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -23.997 7.535 4.721 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -25.119 6.521 7.357 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -23.789 7.657 7.255 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -25.325 9.249 5.988 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -26.646 8.134 6.276 1.00 0.00 H new ATOM 0 HE ARG A 35 -25.008 8.839 8.640 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -27.684 10.295 6.860 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -28.546 10.717 8.343 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -26.724 8.452 10.256 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -28.023 9.649 10.257 1.00 0.00 H new TER 384 ARG A 35