USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 313 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 8 THR OG1 : rot 180:sc= 0.333 USER MOD Set 1.2: A 11 GLN : amide:sc= -1.37! C(o=-1!,f=-8.4!) USER MOD Single : A 4 TYR OH : rot -135:sc= 0.545 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 95:sc= 1.14 USER MOD Single : A 18 LYS NZ :NH3+ 138:sc= 0 (180deg=-0.118) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.0903 X(o=-0.09,f=-0.47) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N ASP A 3 -1.356 8.790 4.058 1.00 0.00 N ATOM 25 CA ASP A 3 -0.136 8.592 4.834 1.00 0.00 C ATOM 26 C ASP A 3 0.749 7.515 4.209 1.00 0.00 C ATOM 27 O ASP A 3 1.961 7.494 4.425 1.00 0.00 O ATOM 28 CB ASP A 3 -0.484 8.209 6.275 1.00 0.00 C ATOM 29 CG ASP A 3 -0.527 9.410 7.197 1.00 0.00 C ATOM 30 OD1 ASP A 3 -1.616 10.004 7.348 1.00 0.00 O ATOM 31 OD2 ASP A 3 0.527 9.759 7.770 1.00 0.00 O ATOM 0 HA ASP A 3 0.418 9.531 4.834 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.451 7.707 6.291 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.252 7.495 6.646 1.00 0.00 H new ATOM 36 N TYR A 4 0.138 6.625 3.432 1.00 0.00 N ATOM 37 CA TYR A 4 0.875 5.548 2.777 1.00 0.00 C ATOM 38 C TYR A 4 2.024 6.102 1.939 1.00 0.00 C ATOM 39 O TYR A 4 3.157 5.631 2.033 1.00 0.00 O ATOM 40 CB TYR A 4 -0.063 4.725 1.892 1.00 0.00 C ATOM 41 CG TYR A 4 -1.217 4.103 2.644 1.00 0.00 C ATOM 42 CD1 TYR A 4 -0.995 3.283 3.743 1.00 0.00 C ATOM 43 CD2 TYR A 4 -2.530 4.336 2.254 1.00 0.00 C ATOM 44 CE1 TYR A 4 -2.048 2.712 4.433 1.00 0.00 C ATOM 45 CE2 TYR A 4 -3.589 3.769 2.938 1.00 0.00 C ATOM 46 CZ TYR A 4 -3.342 2.959 4.026 1.00 0.00 C ATOM 47 OH TYR A 4 -4.393 2.393 4.710 1.00 0.00 O ATOM 0 H TYR A 4 -0.864 6.628 3.241 1.00 0.00 H new ATOM 0 HA TYR A 4 1.292 4.905 3.552 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.458 5.365 1.103 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.510 3.936 1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 4 0.018 3.088 4.064 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.726 4.971 1.402 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.858 2.077 5.285 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.604 3.959 2.622 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.043 2.032 4.071 1.00 0.00 H new ATOM 57 N SER A 5 1.724 7.106 1.122 1.00 0.00 N ATOM 58 CA SER A 5 2.732 7.725 0.269 1.00 0.00 C ATOM 59 C SER A 5 3.874 8.304 1.102 1.00 0.00 C ATOM 60 O SER A 5 4.996 8.449 0.617 1.00 0.00 O ATOM 61 CB SER A 5 2.102 8.826 -0.585 1.00 0.00 C ATOM 62 OG SER A 5 2.669 8.852 -1.884 1.00 0.00 O ATOM 0 H SER A 5 0.791 7.508 1.032 1.00 0.00 H new ATOM 0 HA SER A 5 3.139 6.954 -0.385 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.027 8.664 -0.657 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.247 9.793 -0.102 1.00 0.00 H new ATOM 0 HG SER A 5 2.248 9.563 -2.411 1.00 0.00 H new ATOM 68 N SER A 6 3.580 8.634 2.356 1.00 0.00 N ATOM 69 CA SER A 6 4.582 9.198 3.253 1.00 0.00 C ATOM 70 C SER A 6 5.511 8.114 3.794 1.00 0.00 C ATOM 71 O SER A 6 6.622 8.404 4.237 1.00 0.00 O ATOM 72 CB SER A 6 3.905 9.930 4.412 1.00 0.00 C ATOM 73 OG SER A 6 4.742 10.950 4.931 1.00 0.00 O ATOM 0 H SER A 6 2.656 8.520 2.774 1.00 0.00 H new ATOM 0 HA SER A 6 5.181 9.908 2.682 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.965 10.365 4.072 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.660 9.219 5.202 1.00 0.00 H new ATOM 0 HG SER A 6 4.285 11.404 5.670 1.00 0.00 H new ATOM 79 N LEU A 7 5.052 6.866 3.757 1.00 0.00 N ATOM 80 CA LEU A 7 5.849 5.747 4.247 1.00 0.00 C ATOM 81 C LEU A 7 6.862 5.300 3.198 1.00 0.00 C ATOM 82 O LEU A 7 6.706 5.582 2.010 1.00 0.00 O ATOM 83 CB LEU A 7 4.947 4.570 4.630 1.00 0.00 C ATOM 84 CG LEU A 7 3.596 4.954 5.239 1.00 0.00 C ATOM 85 CD1 LEU A 7 2.796 3.708 5.586 1.00 0.00 C ATOM 86 CD2 LEU A 7 3.796 5.820 6.473 1.00 0.00 C ATOM 0 H LEU A 7 4.135 6.605 3.394 1.00 0.00 H new ATOM 0 HA LEU A 7 6.388 6.084 5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.768 3.966 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.482 3.940 5.341 1.00 0.00 H new ATOM 0 HG LEU A 7 3.036 5.529 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.838 3.999 6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.624 3.123 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.352 3.108 6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.826 6.084 6.893 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.375 5.269 7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.331 6.729 6.197 1.00 0.00 H new ATOM 98 N THR A 8 7.897 4.599 3.647 1.00 0.00 N ATOM 99 CA THR A 8 8.935 4.107 2.750 1.00 0.00 C ATOM 100 C THR A 8 8.443 2.890 1.977 1.00 0.00 C ATOM 101 O THR A 8 7.379 2.346 2.270 1.00 0.00 O ATOM 102 CB THR A 8 10.191 3.739 3.541 1.00 0.00 C ATOM 103 OG1 THR A 8 10.000 2.520 4.240 1.00 0.00 O ATOM 104 CG2 THR A 8 10.596 4.791 4.551 1.00 0.00 C ATOM 0 H THR A 8 8.039 4.359 4.628 1.00 0.00 H new ATOM 0 HA THR A 8 9.177 4.901 2.043 1.00 0.00 H new ATOM 0 HB THR A 8 10.985 3.651 2.799 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.813 2.298 4.740 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.494 4.465 5.076 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.797 5.731 4.037 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.789 4.936 5.269 1.00 0.00 H new ATOM 112 N VAL A 9 9.226 2.458 0.993 1.00 0.00 N ATOM 113 CA VAL A 9 8.863 1.296 0.194 1.00 0.00 C ATOM 114 C VAL A 9 8.759 0.059 1.074 1.00 0.00 C ATOM 115 O VAL A 9 7.821 -0.729 0.949 1.00 0.00 O ATOM 116 CB VAL A 9 9.888 1.038 -0.929 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.435 -0.112 -1.815 1.00 0.00 C ATOM 118 CG2 VAL A 9 10.106 2.299 -1.751 1.00 0.00 C ATOM 0 H VAL A 9 10.111 2.893 0.732 1.00 0.00 H new ATOM 0 HA VAL A 9 7.895 1.505 -0.262 1.00 0.00 H new ATOM 0 HB VAL A 9 10.837 0.760 -0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.172 -0.278 -2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.335 -1.016 -1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.473 0.133 -2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.832 2.099 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.162 2.610 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.481 3.094 -1.106 1.00 0.00 H new ATOM 128 N VAL A 10 9.723 -0.100 1.975 1.00 0.00 N ATOM 129 CA VAL A 10 9.733 -1.234 2.888 1.00 0.00 C ATOM 130 C VAL A 10 8.540 -1.167 3.831 1.00 0.00 C ATOM 131 O VAL A 10 7.914 -2.184 4.132 1.00 0.00 O ATOM 132 CB VAL A 10 11.030 -1.283 3.716 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.097 -2.566 4.530 1.00 0.00 C ATOM 134 CG2 VAL A 10 12.246 -1.150 2.813 1.00 0.00 C ATOM 0 H VAL A 10 10.507 0.543 2.091 1.00 0.00 H new ATOM 0 HA VAL A 10 9.674 -2.138 2.282 1.00 0.00 H new ATOM 0 HB VAL A 10 11.028 -0.442 4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.021 -2.582 5.108 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.244 -2.612 5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.074 -3.424 3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.153 -1.187 3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.256 -1.968 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.202 -0.199 2.281 1.00 0.00 H new ATOM 144 N GLN A 11 8.223 0.041 4.287 1.00 0.00 N ATOM 145 CA GLN A 11 7.096 0.244 5.188 1.00 0.00 C ATOM 146 C GLN A 11 5.787 -0.068 4.472 1.00 0.00 C ATOM 147 O GLN A 11 4.922 -0.763 5.008 1.00 0.00 O ATOM 148 CB GLN A 11 7.080 1.683 5.707 1.00 0.00 C ATOM 149 CG GLN A 11 7.786 1.855 7.042 1.00 0.00 C ATOM 150 CD GLN A 11 8.054 3.309 7.377 1.00 0.00 C ATOM 151 OE1 GLN A 11 8.337 4.118 6.494 1.00 0.00 O ATOM 152 NE2 GLN A 11 7.965 3.647 8.658 1.00 0.00 N ATOM 0 H GLN A 11 8.731 0.893 4.047 1.00 0.00 H new ATOM 0 HA GLN A 11 7.204 -0.432 6.036 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.552 2.332 4.969 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.046 2.013 5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.178 1.411 7.830 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.730 1.311 7.022 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.727 2.942 9.356 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.134 4.611 8.944 1.00 0.00 H new ATOM 161 N LEU A 12 5.653 0.444 3.253 1.00 0.00 N ATOM 162 CA LEU A 12 4.455 0.214 2.456 1.00 0.00 C ATOM 163 C LEU A 12 4.275 -1.273 2.176 1.00 0.00 C ATOM 164 O LEU A 12 3.160 -1.792 2.217 1.00 0.00 O ATOM 165 CB LEU A 12 4.540 0.987 1.138 1.00 0.00 C ATOM 166 CG LEU A 12 4.035 2.428 1.200 1.00 0.00 C ATOM 167 CD1 LEU A 12 4.642 3.255 0.077 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.515 2.464 1.130 1.00 0.00 C ATOM 0 H LEU A 12 6.359 1.021 2.796 1.00 0.00 H new ATOM 0 HA LEU A 12 3.593 0.569 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.578 0.996 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.968 0.450 0.382 1.00 0.00 H new ATOM 0 HG LEU A 12 4.345 2.861 2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.271 4.278 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.728 3.257 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.363 2.824 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.173 3.498 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.183 2.013 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.099 1.907 1.969 1.00 0.00 H new ATOM 180 N LYS A 13 5.382 -1.953 1.896 1.00 0.00 N ATOM 181 CA LYS A 13 5.349 -3.383 1.614 1.00 0.00 C ATOM 182 C LYS A 13 4.890 -4.163 2.841 1.00 0.00 C ATOM 183 O LYS A 13 4.120 -5.116 2.729 1.00 0.00 O ATOM 184 CB LYS A 13 6.730 -3.871 1.170 1.00 0.00 C ATOM 185 CG LYS A 13 7.005 -3.651 -0.309 1.00 0.00 C ATOM 186 CD LYS A 13 7.808 -4.799 -0.901 1.00 0.00 C ATOM 187 CE LYS A 13 9.296 -4.630 -0.641 1.00 0.00 C ATOM 188 NZ LYS A 13 10.072 -5.827 -1.066 1.00 0.00 N ATOM 0 H LYS A 13 6.312 -1.537 1.858 1.00 0.00 H new ATOM 0 HA LYS A 13 4.637 -3.555 0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.493 -3.356 1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.820 -4.934 1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.061 -3.551 -0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.549 -2.716 -0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.467 -5.742 -0.473 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.629 -4.854 -1.975 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.661 -3.752 -1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.461 -4.448 0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.082 -5.673 -0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.742 -6.660 -0.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.935 -5.986 -2.085 1.00 0.00 H new ATOM 202 N ASP A 14 5.364 -3.748 4.011 1.00 0.00 N ATOM 203 CA ASP A 14 4.996 -4.404 5.259 1.00 0.00 C ATOM 204 C ASP A 14 3.497 -4.287 5.499 1.00 0.00 C ATOM 205 O ASP A 14 2.836 -5.260 5.865 1.00 0.00 O ATOM 206 CB ASP A 14 5.765 -3.792 6.430 1.00 0.00 C ATOM 207 CG ASP A 14 7.041 -4.550 6.744 1.00 0.00 C ATOM 208 OD1 ASP A 14 7.945 -4.572 5.884 1.00 0.00 O ATOM 209 OD2 ASP A 14 7.135 -5.119 7.852 1.00 0.00 O ATOM 0 H ASP A 14 6.003 -2.961 4.120 1.00 0.00 H new ATOM 0 HA ASP A 14 5.257 -5.460 5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.009 -2.755 6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.127 -3.779 7.313 1.00 0.00 H new ATOM 214 N LEU A 15 2.964 -3.089 5.282 1.00 0.00 N ATOM 215 CA LEU A 15 1.540 -2.844 5.466 1.00 0.00 C ATOM 216 C LEU A 15 0.723 -3.727 4.533 1.00 0.00 C ATOM 217 O LEU A 15 -0.256 -4.350 4.946 1.00 0.00 O ATOM 218 CB LEU A 15 1.218 -1.369 5.213 1.00 0.00 C ATOM 219 CG LEU A 15 1.218 -0.483 6.460 1.00 0.00 C ATOM 220 CD1 LEU A 15 0.877 0.954 6.094 1.00 0.00 C ATOM 221 CD2 LEU A 15 0.238 -1.019 7.491 1.00 0.00 C ATOM 0 H LEU A 15 3.497 -2.274 4.979 1.00 0.00 H new ATOM 0 HA LEU A 15 1.278 -3.089 6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.943 -0.971 4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.239 -1.303 4.739 1.00 0.00 H new ATOM 0 HG LEU A 15 2.218 -0.498 6.894 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.882 1.569 6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.616 1.335 5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.112 0.988 5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.250 -0.378 8.372 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.766 -1.033 7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.526 -2.031 7.775 1.00 0.00 H new ATOM 233 N LEU A 16 1.141 -3.784 3.275 1.00 0.00 N ATOM 234 CA LEU A 16 0.462 -4.601 2.281 1.00 0.00 C ATOM 235 C LEU A 16 0.535 -6.071 2.671 1.00 0.00 C ATOM 236 O LEU A 16 -0.429 -6.819 2.511 1.00 0.00 O ATOM 237 CB LEU A 16 1.092 -4.387 0.904 1.00 0.00 C ATOM 238 CG LEU A 16 0.617 -3.134 0.161 1.00 0.00 C ATOM 239 CD1 LEU A 16 1.802 -2.276 -0.259 1.00 0.00 C ATOM 240 CD2 LEU A 16 -0.224 -3.515 -1.049 1.00 0.00 C ATOM 0 H LEU A 16 1.949 -3.273 2.920 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.585 -4.303 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.174 -4.333 1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.881 -5.259 0.285 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.004 -2.550 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.443 -1.392 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.361 -1.970 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.452 -2.851 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.552 -2.612 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.372 -4.124 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.095 -4.083 -0.722 1.00 0.00 H new ATOM 252 N THR A 17 1.685 -6.478 3.197 1.00 0.00 N ATOM 253 CA THR A 17 1.881 -7.857 3.623 1.00 0.00 C ATOM 254 C THR A 17 0.852 -8.231 4.681 1.00 0.00 C ATOM 255 O THR A 17 0.254 -9.306 4.633 1.00 0.00 O ATOM 256 CB THR A 17 3.296 -8.048 4.174 1.00 0.00 C ATOM 257 OG1 THR A 17 4.259 -7.542 3.267 1.00 0.00 O ATOM 258 CG2 THR A 17 3.642 -9.494 4.453 1.00 0.00 C ATOM 0 H THR A 17 2.494 -5.873 3.338 1.00 0.00 H new ATOM 0 HA THR A 17 1.752 -8.510 2.760 1.00 0.00 H new ATOM 0 HB THR A 17 3.314 -7.501 5.116 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.487 -6.621 3.512 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.659 -9.556 4.841 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.947 -9.899 5.189 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.570 -10.070 3.530 1.00 0.00 H new ATOM 266 N LYS A 18 0.645 -7.326 5.630 1.00 0.00 N ATOM 267 CA LYS A 18 -0.321 -7.544 6.696 1.00 0.00 C ATOM 268 C LYS A 18 -1.743 -7.535 6.142 1.00 0.00 C ATOM 269 O LYS A 18 -2.624 -8.227 6.651 1.00 0.00 O ATOM 270 CB LYS A 18 -0.171 -6.470 7.778 1.00 0.00 C ATOM 271 CG LYS A 18 0.400 -6.999 9.085 1.00 0.00 C ATOM 272 CD LYS A 18 1.898 -6.749 9.183 1.00 0.00 C ATOM 273 CE LYS A 18 2.683 -8.052 9.198 1.00 0.00 C ATOM 274 NZ LYS A 18 2.828 -8.628 7.832 1.00 0.00 N ATOM 0 H LYS A 18 1.135 -6.433 5.682 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.127 -8.521 7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.475 -5.676 7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.146 -6.022 7.972 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.105 -6.520 9.924 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.203 -8.068 9.163 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.222 -6.138 8.340 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.115 -6.183 10.089 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.670 -7.876 9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.180 -8.772 9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.796 -8.986 7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.152 -9.409 7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.637 -7.892 7.123 1.00 0.00 H new ATOM 288 N ARG A 19 -1.956 -6.742 5.093 1.00 0.00 N ATOM 289 CA ARG A 19 -3.272 -6.640 4.468 1.00 0.00 C ATOM 290 C ARG A 19 -3.460 -7.698 3.381 1.00 0.00 C ATOM 291 O ARG A 19 -4.541 -7.818 2.804 1.00 0.00 O ATOM 292 CB ARG A 19 -3.461 -5.241 3.874 1.00 0.00 C ATOM 293 CG ARG A 19 -4.387 -4.353 4.689 1.00 0.00 C ATOM 294 CD ARG A 19 -4.672 -3.040 3.977 1.00 0.00 C ATOM 295 NE ARG A 19 -4.546 -1.893 4.872 1.00 0.00 N ATOM 296 CZ ARG A 19 -5.484 -1.525 5.743 1.00 0.00 C ATOM 297 NH1 ARG A 19 -6.616 -2.211 5.838 1.00 0.00 N ATOM 298 NH2 ARG A 19 -5.289 -0.469 6.520 1.00 0.00 N ATOM 0 H ARG A 19 -1.237 -6.163 4.660 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.023 -6.814 5.238 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.488 -4.757 3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.858 -5.335 2.863 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.324 -4.877 4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.936 -4.151 5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.983 -2.924 3.140 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.679 -3.065 3.560 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.689 -1.341 4.827 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.771 -3.024 5.242 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.331 -1.925 6.507 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.421 0.062 6.451 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.007 -0.187 7.187 1.00 0.00 H new ATOM 312 N ASN A 20 -2.406 -8.465 3.104 1.00 0.00 N ATOM 313 CA ASN A 20 -2.465 -9.510 2.087 1.00 0.00 C ATOM 314 C ASN A 20 -2.715 -8.912 0.705 1.00 0.00 C ATOM 315 O ASN A 20 -3.527 -9.421 -0.066 1.00 0.00 O ATOM 316 CB ASN A 20 -3.560 -10.525 2.427 1.00 0.00 C ATOM 317 CG ASN A 20 -3.051 -11.651 3.305 1.00 0.00 C ATOM 318 OD1 ASN A 20 -2.573 -11.420 4.415 1.00 0.00 O ATOM 319 ND2 ASN A 20 -3.150 -12.878 2.809 1.00 0.00 N ATOM 0 H ASN A 20 -1.503 -8.381 3.570 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.502 -10.021 2.071 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.380 -10.015 2.933 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.965 -10.942 1.505 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.823 -13.676 3.353 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.553 -13.023 1.883 1.00 0.00 H new ATOM 326 N LEU A 21 -2.008 -7.828 0.401 1.00 0.00 N ATOM 327 CA LEU A 21 -2.152 -7.160 -0.887 1.00 0.00 C ATOM 328 C LEU A 21 -0.907 -7.363 -1.746 1.00 0.00 C ATOM 329 O LEU A 21 0.189 -7.579 -1.227 1.00 0.00 O ATOM 330 CB LEU A 21 -2.408 -5.665 -0.683 1.00 0.00 C ATOM 331 CG LEU A 21 -3.777 -5.319 -0.095 1.00 0.00 C ATOM 332 CD1 LEU A 21 -3.870 -3.831 0.204 1.00 0.00 C ATOM 333 CD2 LEU A 21 -4.886 -5.744 -1.046 1.00 0.00 C ATOM 0 H LEU A 21 -1.331 -7.394 1.028 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.004 -7.600 -1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.635 -5.266 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.303 -5.159 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.898 -5.864 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.851 -3.604 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.098 -3.555 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.728 -3.265 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.854 -5.491 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.768 -5.226 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.832 -6.820 -1.210 1.00 0.00 H new ATOM 345 N SER A 22 -1.083 -7.293 -3.061 1.00 0.00 N ATOM 346 CA SER A 22 0.025 -7.471 -3.992 1.00 0.00 C ATOM 347 C SER A 22 1.019 -6.319 -3.882 1.00 0.00 C ATOM 348 O SER A 22 0.661 -5.157 -4.076 1.00 0.00 O ATOM 349 CB SER A 22 -0.498 -7.575 -5.426 1.00 0.00 C ATOM 350 OG SER A 22 0.216 -8.556 -6.159 1.00 0.00 O ATOM 0 H SER A 22 -1.983 -7.114 -3.506 1.00 0.00 H new ATOM 0 HA SER A 22 0.540 -8.396 -3.733 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.558 -7.827 -5.412 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.406 -6.608 -5.921 1.00 0.00 H new ATOM 0 HG SER A 22 -0.138 -8.605 -7.072 1.00 0.00 H new ATOM 356 N VAL A 23 2.269 -6.649 -3.572 1.00 0.00 N ATOM 357 CA VAL A 23 3.315 -5.643 -3.438 1.00 0.00 C ATOM 358 C VAL A 23 4.270 -5.670 -4.628 1.00 0.00 C ATOM 359 O VAL A 23 5.390 -5.164 -4.548 1.00 0.00 O ATOM 360 CB VAL A 23 4.125 -5.847 -2.144 1.00 0.00 C ATOM 361 CG1 VAL A 23 3.298 -5.452 -0.929 1.00 0.00 C ATOM 362 CG2 VAL A 23 4.598 -7.288 -2.031 1.00 0.00 C ATOM 0 H VAL A 23 2.582 -7.606 -3.409 1.00 0.00 H new ATOM 0 HA VAL A 23 2.815 -4.675 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 23 5.004 -5.203 -2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.886 -5.603 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.015 -4.402 -1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.400 -6.068 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.168 -7.413 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.735 -7.954 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.230 -7.532 -2.885 1.00 0.00 H new ATOM 372 N GLY A 24 3.825 -6.263 -5.733 1.00 0.00 N ATOM 373 CA GLY A 24 4.659 -6.342 -6.919 1.00 0.00 C ATOM 374 C GLY A 24 4.623 -5.074 -7.753 1.00 0.00 C ATOM 375 O GLY A 24 5.240 -5.009 -8.816 1.00 0.00 O ATOM 0 H GLY A 24 2.903 -6.689 -5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.687 -6.545 -6.621 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.332 -7.183 -7.531 1.00 0.00 H new ATOM 379 N GLY A 25 3.901 -4.063 -7.276 1.00 0.00 N ATOM 380 CA GLY A 25 3.809 -2.812 -8.006 1.00 0.00 C ATOM 381 C GLY A 25 4.736 -1.747 -7.453 1.00 0.00 C ATOM 382 O GLY A 25 5.325 -1.921 -6.385 1.00 0.00 O ATOM 0 H GLY A 25 3.380 -4.088 -6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.049 -2.989 -9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.782 -2.449 -7.970 1.00 0.00 H new ATOM 386 N LEU A 26 4.869 -0.643 -8.181 1.00 0.00 N ATOM 387 CA LEU A 26 5.731 0.453 -7.756 1.00 0.00 C ATOM 388 C LEU A 26 5.172 1.135 -6.512 1.00 0.00 C ATOM 389 O LEU A 26 4.030 0.891 -6.120 1.00 0.00 O ATOM 390 CB LEU A 26 5.885 1.475 -8.886 1.00 0.00 C ATOM 391 CG LEU A 26 6.657 0.977 -10.109 1.00 0.00 C ATOM 392 CD1 LEU A 26 6.078 1.571 -11.384 1.00 0.00 C ATOM 393 CD2 LEU A 26 8.133 1.318 -9.982 1.00 0.00 C ATOM 0 H LEU A 26 4.391 -0.484 -9.068 1.00 0.00 H new ATOM 0 HA LEU A 26 6.709 0.039 -7.512 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.893 1.792 -9.206 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.389 2.357 -8.491 1.00 0.00 H new ATOM 0 HG LEU A 26 6.558 -0.107 -10.161 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.640 1.205 -12.244 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.033 1.276 -11.481 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.145 2.658 -11.342 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.667 0.956 -10.861 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.251 2.399 -9.905 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.540 0.844 -9.089 1.00 0.00 H new ATOM 405 N LYS A 27 5.981 1.992 -5.896 1.00 0.00 N ATOM 406 CA LYS A 27 5.568 2.711 -4.694 1.00 0.00 C ATOM 407 C LYS A 27 4.200 3.361 -4.887 1.00 0.00 C ATOM 408 O LYS A 27 3.359 3.336 -3.989 1.00 0.00 O ATOM 409 CB LYS A 27 6.604 3.777 -4.331 1.00 0.00 C ATOM 410 CG LYS A 27 6.643 4.104 -2.847 1.00 0.00 C ATOM 411 CD LYS A 27 7.692 5.159 -2.535 1.00 0.00 C ATOM 412 CE LYS A 27 7.212 6.122 -1.462 1.00 0.00 C ATOM 413 NZ LYS A 27 8.120 7.294 -1.322 1.00 0.00 N ATOM 0 H LYS A 27 6.928 2.206 -6.210 1.00 0.00 H new ATOM 0 HA LYS A 27 5.495 1.991 -3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.590 3.436 -4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.388 4.687 -4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.663 4.458 -2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.857 3.198 -2.280 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.611 4.674 -2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.932 5.714 -3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.208 6.468 -1.707 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.145 5.599 -0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.758 7.927 -0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.072 6.966 -1.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.165 7.808 -2.225 1.00 0.00 H new ATOM 427 N ASN A 28 3.987 3.938 -6.064 1.00 0.00 N ATOM 428 CA ASN A 28 2.721 4.591 -6.375 1.00 0.00 C ATOM 429 C ASN A 28 1.587 3.573 -6.432 1.00 0.00 C ATOM 430 O ASN A 28 0.459 3.859 -6.030 1.00 0.00 O ATOM 431 CB ASN A 28 2.820 5.336 -7.708 1.00 0.00 C ATOM 432 CG ASN A 28 1.890 6.531 -7.773 1.00 0.00 C ATOM 433 OD1 ASN A 28 2.284 7.658 -7.474 1.00 0.00 O ATOM 434 ND2 ASN A 28 0.644 6.288 -8.165 1.00 0.00 N ATOM 0 H ASN A 28 4.674 3.967 -6.818 1.00 0.00 H new ATOM 0 HA ASN A 28 2.505 5.308 -5.583 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.847 5.670 -7.859 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.584 4.651 -8.522 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.029 7.052 -8.228 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.361 5.338 -8.403 1.00 0.00 H new ATOM 441 N GLU A 29 1.897 2.378 -6.928 1.00 0.00 N ATOM 442 CA GLU A 29 0.907 1.314 -7.030 1.00 0.00 C ATOM 443 C GLU A 29 0.546 0.795 -5.646 1.00 0.00 C ATOM 444 O GLU A 29 -0.604 0.445 -5.380 1.00 0.00 O ATOM 445 CB GLU A 29 1.438 0.172 -7.898 1.00 0.00 C ATOM 446 CG GLU A 29 1.038 0.282 -9.360 1.00 0.00 C ATOM 447 CD GLU A 29 0.819 -1.071 -10.007 1.00 0.00 C ATOM 448 OE1 GLU A 29 -0.323 -1.573 -9.962 1.00 0.00 O ATOM 449 OE2 GLU A 29 1.791 -1.630 -10.560 1.00 0.00 O ATOM 0 H GLU A 29 2.826 2.124 -7.265 1.00 0.00 H new ATOM 0 HA GLU A 29 0.010 1.720 -7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.526 0.149 -7.828 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.073 -0.775 -7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.124 0.871 -9.440 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.813 0.820 -9.906 1.00 0.00 H new ATOM 456 N LEU A 30 1.540 0.754 -4.768 1.00 0.00 N ATOM 457 CA LEU A 30 1.341 0.284 -3.406 1.00 0.00 C ATOM 458 C LEU A 30 0.414 1.223 -2.642 1.00 0.00 C ATOM 459 O LEU A 30 -0.534 0.783 -1.991 1.00 0.00 O ATOM 460 CB LEU A 30 2.686 0.177 -2.687 1.00 0.00 C ATOM 461 CG LEU A 30 3.699 -0.764 -3.342 1.00 0.00 C ATOM 462 CD1 LEU A 30 5.075 -0.584 -2.719 1.00 0.00 C ATOM 463 CD2 LEU A 30 3.241 -2.209 -3.218 1.00 0.00 C ATOM 0 H LEU A 30 2.496 1.042 -4.978 1.00 0.00 H new ATOM 0 HA LEU A 30 0.878 -0.702 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.126 1.172 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.509 -0.159 -1.665 1.00 0.00 H new ATOM 0 HG LEU A 30 3.767 -0.514 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.782 -1.261 -3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.406 0.445 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.024 -0.806 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.973 -2.865 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.144 -2.471 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.276 -2.329 -3.711 1.00 0.00 H new ATOM 475 N VAL A 31 0.692 2.519 -2.731 1.00 0.00 N ATOM 476 CA VAL A 31 -0.119 3.521 -2.053 1.00 0.00 C ATOM 477 C VAL A 31 -1.548 3.507 -2.581 1.00 0.00 C ATOM 478 O VAL A 31 -2.506 3.556 -1.812 1.00 0.00 O ATOM 479 CB VAL A 31 0.469 4.935 -2.224 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.306 5.943 -1.387 1.00 0.00 C ATOM 481 CG2 VAL A 31 1.945 4.950 -1.854 1.00 0.00 C ATOM 0 H VAL A 31 1.473 2.899 -3.266 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.119 3.268 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 31 0.377 5.220 -3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.125 6.935 -1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.349 5.954 -1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.250 5.662 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.342 5.957 -1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.063 4.642 -0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.489 4.261 -2.500 1.00 0.00 H new ATOM 491 N GLN A 32 -1.679 3.435 -3.899 1.00 0.00 N ATOM 492 CA GLN A 32 -2.988 3.409 -4.536 1.00 0.00 C ATOM 493 C GLN A 32 -3.755 2.152 -4.142 1.00 0.00 C ATOM 494 O GLN A 32 -4.976 2.183 -3.983 1.00 0.00 O ATOM 495 CB GLN A 32 -2.841 3.477 -6.057 1.00 0.00 C ATOM 496 CG GLN A 32 -2.658 4.889 -6.588 1.00 0.00 C ATOM 497 CD GLN A 32 -3.490 5.159 -7.827 1.00 0.00 C ATOM 498 OE1 GLN A 32 -4.661 4.786 -7.897 1.00 0.00 O ATOM 499 NE2 GLN A 32 -2.886 5.810 -8.815 1.00 0.00 N ATOM 0 H GLN A 32 -0.893 3.394 -4.548 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.549 4.279 -4.195 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.987 2.871 -6.359 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.724 3.036 -6.519 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.929 5.603 -5.810 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.605 5.053 -6.819 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.914 6.101 -8.715 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.395 6.019 -9.674 1.00 0.00 H new ATOM 508 N ARG A 33 -3.033 1.047 -3.980 1.00 0.00 N ATOM 509 CA ARG A 33 -3.655 -0.215 -3.597 1.00 0.00 C ATOM 510 C ARG A 33 -4.250 -0.109 -2.199 1.00 0.00 C ATOM 511 O ARG A 33 -5.388 -0.517 -1.966 1.00 0.00 O ATOM 512 CB ARG A 33 -2.633 -1.352 -3.649 1.00 0.00 C ATOM 513 CG ARG A 33 -3.227 -2.686 -4.070 1.00 0.00 C ATOM 514 CD ARG A 33 -2.202 -3.550 -4.786 1.00 0.00 C ATOM 515 NE ARG A 33 -2.292 -3.415 -6.239 1.00 0.00 N ATOM 516 CZ ARG A 33 -1.343 -3.818 -7.080 1.00 0.00 C ATOM 517 NH1 ARG A 33 -0.232 -4.382 -6.620 1.00 0.00 N ATOM 518 NH2 ARG A 33 -1.504 -3.657 -8.386 1.00 0.00 N ATOM 0 H ARG A 33 -2.022 1.000 -4.107 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.456 -0.433 -4.304 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.838 -1.083 -4.344 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.174 -1.462 -2.666 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.599 -3.213 -3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.081 -2.515 -4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.201 -3.272 -4.457 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.350 -4.594 -4.509 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.131 -2.987 -6.631 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.102 -4.509 -5.616 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.491 -4.689 -7.270 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.355 -3.224 -8.745 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.777 -3.966 -9.031 1.00 0.00 H new ATOM 532 N LEU A 34 -3.481 0.461 -1.276 1.00 0.00 N ATOM 533 CA LEU A 34 -3.944 0.642 0.093 1.00 0.00 C ATOM 534 C LEU A 34 -5.079 1.657 0.126 1.00 0.00 C ATOM 535 O LEU A 34 -6.038 1.516 0.885 1.00 0.00 O ATOM 536 CB LEU A 34 -2.795 1.107 0.991 1.00 0.00 C ATOM 537 CG LEU A 34 -1.809 0.012 1.400 1.00 0.00 C ATOM 538 CD1 LEU A 34 -0.411 0.587 1.560 1.00 0.00 C ATOM 539 CD2 LEU A 34 -2.263 -0.660 2.687 1.00 0.00 C ATOM 0 H LEU A 34 -2.537 0.804 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.309 -0.314 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.246 1.894 0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.216 1.551 1.893 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.782 -0.740 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.278 -0.206 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.086 1.021 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.421 1.359 2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.550 -1.437 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.319 0.081 3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.246 -1.107 2.537 1.00 0.00 H new ATOM 551 N ILE A 35 -4.958 2.678 -0.717 1.00 0.00 N ATOM 552 CA ILE A 35 -5.961 3.728 -0.810 1.00 0.00 C ATOM 553 C ILE A 35 -7.276 3.171 -1.355 1.00 0.00 C ATOM 554 O ILE A 35 -8.351 3.480 -0.843 1.00 0.00 O ATOM 555 CB ILE A 35 -5.468 4.880 -1.715 1.00 0.00 C ATOM 556 CG1 ILE A 35 -4.303 5.614 -1.047 1.00 0.00 C ATOM 557 CG2 ILE A 35 -6.597 5.853 -2.033 1.00 0.00 C ATOM 558 CD1 ILE A 35 -3.393 6.321 -2.026 1.00 0.00 C ATOM 0 H ILE A 35 -4.167 2.799 -1.350 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.130 4.118 0.194 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.123 4.449 -2.655 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.701 6.343 -0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.717 4.899 -0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.220 6.652 -2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.398 5.324 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.982 6.279 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.590 6.819 -1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.966 5.594 -2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.965 7.061 -2.586 1.00 0.00 H new ATOM 570 N LYS A 36 -7.179 2.350 -2.395 1.00 0.00 N ATOM 571 CA LYS A 36 -8.360 1.751 -3.007 1.00 0.00 C ATOM 572 C LYS A 36 -9.040 0.787 -2.040 1.00 0.00 C ATOM 573 O LYS A 36 -10.263 0.790 -1.903 1.00 0.00 O ATOM 574 CB LYS A 36 -7.977 1.017 -4.294 1.00 0.00 C ATOM 575 CG LYS A 36 -8.049 1.892 -5.536 1.00 0.00 C ATOM 576 CD LYS A 36 -8.761 1.184 -6.677 1.00 0.00 C ATOM 577 CE LYS A 36 -10.214 1.619 -6.781 1.00 0.00 C ATOM 578 NZ LYS A 36 -10.832 1.193 -8.067 1.00 0.00 N ATOM 0 H LYS A 36 -6.296 2.084 -2.832 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.060 2.550 -3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.964 0.627 -4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.638 0.160 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.572 2.819 -5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.041 2.165 -5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.248 1.396 -7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.713 0.106 -6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.779 1.197 -5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.275 2.704 -6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.822 1.509 -8.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.309 1.615 -8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.797 0.156 -8.142 1.00 0.00 H new ATOM 592 N ASP A 37 -8.238 -0.036 -1.373 1.00 0.00 N ATOM 593 CA ASP A 37 -8.761 -1.005 -0.418 1.00 0.00 C ATOM 594 C ASP A 37 -9.483 -0.304 0.729 1.00 0.00 C ATOM 595 O ASP A 37 -10.545 -0.744 1.167 1.00 0.00 O ATOM 596 CB ASP A 37 -7.627 -1.873 0.131 1.00 0.00 C ATOM 597 CG ASP A 37 -8.091 -3.270 0.493 1.00 0.00 C ATOM 598 OD1 ASP A 37 -8.733 -3.921 -0.359 1.00 0.00 O ATOM 599 OD2 ASP A 37 -7.812 -3.714 1.625 1.00 0.00 O ATOM 0 H ASP A 37 -7.223 -0.051 -1.476 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.477 -1.641 -0.938 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.831 -1.938 -0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.201 -1.395 1.013 1.00 0.00 H new ATOM 604 N ASP A 38 -8.898 0.788 1.210 1.00 0.00 N ATOM 605 CA ASP A 38 -9.486 1.549 2.306 1.00 0.00 C ATOM 606 C ASP A 38 -10.768 2.242 1.861 1.00 0.00 C ATOM 607 O ASP A 38 -11.763 2.255 2.585 1.00 0.00 O ATOM 608 CB ASP A 38 -8.488 2.581 2.832 1.00 0.00 C ATOM 609 CG ASP A 38 -7.640 2.041 3.967 1.00 0.00 C ATOM 610 OD1 ASP A 38 -6.797 1.157 3.709 1.00 0.00 O ATOM 611 OD2 ASP A 38 -7.819 2.504 5.114 1.00 0.00 O ATOM 0 H ASP A 38 -8.018 1.165 0.858 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.732 0.853 3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.838 2.902 2.018 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.029 3.463 3.174 1.00 0.00 H new ATOM 616 N GLU A 39 -10.734 2.818 0.666 1.00 0.00 N ATOM 617 CA GLU A 39 -11.892 3.515 0.120 1.00 0.00 C ATOM 618 C GLU A 39 -12.988 2.529 -0.266 1.00 0.00 C ATOM 619 O GLU A 39 -14.177 2.825 -0.141 1.00 0.00 O ATOM 620 CB GLU A 39 -11.485 4.348 -1.098 1.00 0.00 C ATOM 621 CG GLU A 39 -11.068 5.768 -0.751 1.00 0.00 C ATOM 622 CD GLU A 39 -10.597 6.549 -1.962 1.00 0.00 C ATOM 623 OE1 GLU A 39 -11.377 7.382 -2.471 1.00 0.00 O ATOM 624 OE2 GLU A 39 -9.449 6.329 -2.402 1.00 0.00 O ATOM 0 H GLU A 39 -9.917 2.816 0.056 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.282 4.179 0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.661 3.851 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.319 4.384 -1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.909 6.288 -0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.269 5.737 -0.010 1.00 0.00 H new