USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 607 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 37 SER OG : rot -114:sc= -2.28 USER MOD Set 1.2: A 42 MET CE :methyl 166:sc= -2.29 (180deg=-0.296) USER MOD Single : A 1 SER N :NH3+ -122:sc= 0.105 (180deg=0) USER MOD Single : A 1 SER OG : rot 140:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.963 K(o=-0.96,f=-4.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0863 USER MOD Single : A 46 SER OG : rot -140:sc= 0.268! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= -0.104 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.834 -10.516 -5.151 1.00 0.00 N ATOM 2 CA SER A 1 -10.032 -9.277 -5.357 1.00 0.00 C ATOM 3 C SER A 1 -8.793 -9.606 -6.194 1.00 0.00 C ATOM 4 O SER A 1 -8.498 -10.754 -6.460 1.00 0.00 O ATOM 5 CB SER A 1 -9.596 -8.719 -4.002 1.00 0.00 C ATOM 6 OG SER A 1 -8.812 -9.692 -3.324 1.00 0.00 O ATOM 0 H1 SER A 1 -11.795 -10.373 -5.522 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.383 -11.308 -5.652 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.884 -10.732 -4.135 1.00 0.00 H new ATOM 0 HA SER A 1 -10.638 -8.535 -5.877 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.020 -7.804 -4.141 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.470 -8.459 -3.405 1.00 0.00 H new ATOM 0 HG SER A 1 -8.062 -9.251 -2.872 1.00 0.00 H new ATOM 14 N GLU A 2 -8.066 -8.606 -6.612 1.00 0.00 N ATOM 15 CA GLU A 2 -6.848 -8.862 -7.432 1.00 0.00 C ATOM 16 C GLU A 2 -5.632 -8.235 -6.748 1.00 0.00 C ATOM 17 O GLU A 2 -5.742 -7.614 -5.710 1.00 0.00 O ATOM 18 CB GLU A 2 -7.028 -8.244 -8.820 1.00 0.00 C ATOM 19 CG GLU A 2 -8.186 -8.938 -9.542 1.00 0.00 C ATOM 20 CD GLU A 2 -7.630 -9.946 -10.548 1.00 0.00 C ATOM 21 OE1 GLU A 2 -6.765 -9.567 -11.321 1.00 0.00 O ATOM 22 OE2 GLU A 2 -8.078 -11.081 -10.530 1.00 0.00 O ATOM 0 H GLU A 2 -8.263 -7.623 -6.421 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.695 -9.937 -7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.229 -7.176 -8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.110 -8.349 -9.398 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.827 -9.444 -8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.804 -8.200 -10.054 1.00 0.00 H new ATOM 29 N ILE A 3 -4.470 -8.391 -7.323 1.00 0.00 N ATOM 30 CA ILE A 3 -3.248 -7.803 -6.705 1.00 0.00 C ATOM 31 C ILE A 3 -2.607 -6.815 -7.682 1.00 0.00 C ATOM 32 O ILE A 3 -2.348 -7.135 -8.825 1.00 0.00 O ATOM 33 CB ILE A 3 -2.253 -8.919 -6.384 1.00 0.00 C ATOM 34 CG1 ILE A 3 -2.953 -10.008 -5.569 1.00 0.00 C ATOM 35 CG2 ILE A 3 -1.087 -8.347 -5.574 1.00 0.00 C ATOM 36 CD1 ILE A 3 -2.395 -11.378 -5.958 1.00 0.00 C ATOM 0 H ILE A 3 -4.315 -8.900 -8.193 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.520 -7.282 -5.787 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.875 -9.346 -7.313 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.803 -9.832 -4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.028 -9.977 -5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.378 -9.143 -5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.587 -7.571 -6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.464 -7.919 -4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.895 -12.153 -5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.568 -11.553 -7.020 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.324 -11.406 -5.755 1.00 0.00 H new ATOM 48 N ILE A 4 -2.349 -5.614 -7.240 1.00 0.00 N ATOM 49 CA ILE A 4 -1.724 -4.606 -8.143 1.00 0.00 C ATOM 50 C ILE A 4 -0.220 -4.541 -7.870 1.00 0.00 C ATOM 51 O ILE A 4 0.210 -4.358 -6.749 1.00 0.00 O ATOM 52 CB ILE A 4 -2.349 -3.235 -7.885 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.844 -3.287 -8.211 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.671 -2.189 -8.773 1.00 0.00 C ATOM 55 CD1 ILE A 4 -4.650 -2.865 -6.983 1.00 0.00 C ATOM 0 H ILE A 4 -2.544 -5.288 -6.293 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.893 -4.893 -9.181 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.213 -2.966 -6.838 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.067 -2.627 -9.050 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.126 -4.295 -8.515 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.117 -1.211 -8.589 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.606 -2.151 -8.543 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.806 -2.458 -9.821 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.714 -2.902 -7.216 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.435 -3.543 -6.157 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.376 -1.849 -6.700 1.00 0.00 H new ATOM 67 N ARG A 5 0.584 -4.691 -8.887 1.00 0.00 N ATOM 68 CA ARG A 5 2.060 -4.638 -8.685 1.00 0.00 C ATOM 69 C ARG A 5 2.619 -3.370 -9.333 1.00 0.00 C ATOM 70 O ARG A 5 1.992 -2.765 -10.180 1.00 0.00 O ATOM 71 CB ARG A 5 2.706 -5.867 -9.326 1.00 0.00 C ATOM 72 CG ARG A 5 2.577 -5.776 -10.847 1.00 0.00 C ATOM 73 CD ARG A 5 2.603 -7.182 -11.448 1.00 0.00 C ATOM 74 NE ARG A 5 1.873 -7.182 -12.747 1.00 0.00 N ATOM 75 CZ ARG A 5 1.772 -8.283 -13.439 1.00 0.00 C ATOM 76 NH1 ARG A 5 1.184 -9.327 -12.921 1.00 0.00 N ATOM 77 NH2 ARG A 5 2.257 -8.343 -14.648 1.00 0.00 N ATOM 0 H ARG A 5 0.283 -4.848 -9.849 1.00 0.00 H new ATOM 0 HA ARG A 5 2.281 -4.627 -7.618 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.757 -5.928 -9.043 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.224 -6.775 -8.963 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.648 -5.272 -11.114 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.392 -5.179 -11.256 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.633 -7.506 -11.598 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.143 -7.891 -10.760 1.00 0.00 H new ATOM 0 HE ARG A 5 1.452 -6.321 -13.095 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.804 -9.281 -11.976 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.105 -10.188 -13.462 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.716 -7.528 -15.054 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.177 -9.205 -15.187 1.00 0.00 H new ATOM 91 N VAL A 6 3.797 -2.964 -8.943 1.00 0.00 N ATOM 92 CA VAL A 6 4.397 -1.737 -9.538 1.00 0.00 C ATOM 93 C VAL A 6 4.328 -1.828 -11.067 1.00 0.00 C ATOM 94 O VAL A 6 4.512 -2.889 -11.630 1.00 0.00 O ATOM 95 CB VAL A 6 5.857 -1.620 -9.097 1.00 0.00 C ATOM 96 CG1 VAL A 6 6.525 -0.461 -9.838 1.00 0.00 C ATOM 97 CG2 VAL A 6 5.913 -1.360 -7.590 1.00 0.00 C ATOM 0 H VAL A 6 4.369 -3.429 -8.238 1.00 0.00 H new ATOM 0 HA VAL A 6 3.845 -0.859 -9.201 1.00 0.00 H new ATOM 0 HB VAL A 6 6.381 -2.547 -9.328 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.565 -0.379 -9.523 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.485 -0.644 -10.912 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.002 0.467 -9.608 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.953 -1.276 -7.274 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.388 -0.432 -7.361 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.438 -2.186 -7.060 1.00 0.00 H new ATOM 107 N PRO A 7 4.065 -0.709 -11.696 1.00 0.00 N ATOM 108 CA PRO A 7 3.966 -0.627 -13.163 1.00 0.00 C ATOM 109 C PRO A 7 5.361 -0.604 -13.794 1.00 0.00 C ATOM 110 O PRO A 7 6.356 -0.823 -13.132 1.00 0.00 O ATOM 111 CB PRO A 7 3.237 0.698 -13.400 1.00 0.00 C ATOM 112 CG PRO A 7 3.465 1.555 -12.133 1.00 0.00 C ATOM 113 CD PRO A 7 3.844 0.578 -11.003 1.00 0.00 C ATOM 0 HA PRO A 7 3.448 -1.478 -13.606 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.626 1.202 -14.285 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.173 0.531 -13.570 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.258 2.285 -12.296 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.565 2.114 -11.876 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.740 0.906 -10.477 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.049 0.500 -10.261 1.00 0.00 H new ATOM 121 N ASP A 8 5.441 -0.339 -15.069 1.00 0.00 N ATOM 122 CA ASP A 8 6.771 -0.301 -15.741 1.00 0.00 C ATOM 123 C ASP A 8 7.435 1.052 -15.477 1.00 0.00 C ATOM 124 O ASP A 8 7.098 2.048 -16.086 1.00 0.00 O ATOM 125 CB ASP A 8 6.587 -0.494 -17.247 1.00 0.00 C ATOM 126 CG ASP A 8 7.957 -0.598 -17.920 1.00 0.00 C ATOM 127 OD1 ASP A 8 8.927 -0.815 -17.213 1.00 0.00 O ATOM 128 OD2 ASP A 8 8.013 -0.457 -19.130 1.00 0.00 O ATOM 0 H ASP A 8 4.643 -0.147 -15.675 1.00 0.00 H new ATOM 0 HA ASP A 8 7.401 -1.099 -15.348 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.006 -1.396 -17.440 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.027 0.342 -17.666 1.00 0.00 H new ATOM 133 N ILE A 9 8.375 1.095 -14.574 1.00 0.00 N ATOM 134 CA ILE A 9 9.059 2.385 -14.270 1.00 0.00 C ATOM 135 C ILE A 9 10.451 2.384 -14.906 1.00 0.00 C ATOM 136 O ILE A 9 11.119 3.396 -14.963 1.00 0.00 O ATOM 137 CB ILE A 9 9.197 2.575 -12.751 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.668 1.342 -12.006 1.00 0.00 C ATOM 139 CG2 ILE A 9 8.396 3.804 -12.318 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.844 1.541 -10.499 1.00 0.00 C ATOM 0 H ILE A 9 8.700 0.293 -14.033 1.00 0.00 H new ATOM 0 HA ILE A 9 8.463 3.202 -14.676 1.00 0.00 H new ATOM 0 HB ILE A 9 10.251 2.711 -12.509 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.616 1.185 -12.242 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.204 0.450 -12.331 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.493 3.940 -11.241 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.778 4.687 -12.831 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.346 3.662 -12.573 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.468 0.665 -9.970 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.901 1.677 -10.271 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.288 2.423 -10.181 1.00 0.00 H new ATOM 152 N GLY A 10 10.892 1.254 -15.388 1.00 0.00 N ATOM 153 CA GLY A 10 12.240 1.189 -16.020 1.00 0.00 C ATOM 154 C GLY A 10 13.314 1.444 -14.962 1.00 0.00 C ATOM 155 O GLY A 10 14.329 2.058 -15.228 1.00 0.00 O ATOM 0 H GLY A 10 10.377 0.374 -15.371 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.391 0.212 -16.478 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.316 1.930 -16.816 1.00 0.00 H new ATOM 159 N GLY A 11 13.100 0.979 -13.762 1.00 0.00 N ATOM 160 CA GLY A 11 14.109 1.195 -12.687 1.00 0.00 C ATOM 161 C GLY A 11 13.514 0.792 -11.337 1.00 0.00 C ATOM 162 O GLY A 11 12.424 0.259 -11.263 1.00 0.00 O ATOM 0 H GLY A 11 12.270 0.459 -13.479 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.004 0.608 -12.891 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.413 2.242 -12.664 1.00 0.00 H new ATOM 166 N ASP A 12 14.220 1.040 -10.268 1.00 0.00 N ATOM 167 CA ASP A 12 13.694 0.669 -8.925 1.00 0.00 C ATOM 168 C ASP A 12 12.746 1.764 -8.429 1.00 0.00 C ATOM 169 O ASP A 12 12.616 2.807 -9.037 1.00 0.00 O ATOM 170 CB ASP A 12 14.859 0.522 -7.943 1.00 0.00 C ATOM 171 CG ASP A 12 15.679 1.812 -7.925 1.00 0.00 C ATOM 172 OD1 ASP A 12 15.149 2.821 -7.488 1.00 0.00 O ATOM 173 OD2 ASP A 12 16.822 1.770 -8.348 1.00 0.00 O ATOM 0 H ASP A 12 15.138 1.484 -10.267 1.00 0.00 H new ATOM 0 HA ASP A 12 13.155 -0.276 -8.994 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.481 0.305 -6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.490 -0.318 -8.234 1.00 0.00 H new ATOM 178 N GLY A 13 12.084 1.533 -7.329 1.00 0.00 N ATOM 179 CA GLY A 13 11.145 2.560 -6.796 1.00 0.00 C ATOM 180 C GLY A 13 11.327 2.685 -5.282 1.00 0.00 C ATOM 181 O GLY A 13 11.625 1.722 -4.602 1.00 0.00 O ATOM 0 H GLY A 13 12.152 0.678 -6.777 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.331 3.521 -7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.117 2.282 -7.027 1.00 0.00 H new ATOM 185 N GLU A 14 11.151 3.862 -4.749 1.00 0.00 N ATOM 186 CA GLU A 14 11.315 4.047 -3.279 1.00 0.00 C ATOM 187 C GLU A 14 10.121 4.827 -2.727 1.00 0.00 C ATOM 188 O GLU A 14 9.879 5.958 -3.100 1.00 0.00 O ATOM 189 CB GLU A 14 12.604 4.824 -3.003 1.00 0.00 C ATOM 190 CG GLU A 14 12.986 4.673 -1.529 1.00 0.00 C ATOM 191 CD GLU A 14 14.496 4.854 -1.373 1.00 0.00 C ATOM 192 OE1 GLU A 14 15.130 5.247 -2.338 1.00 0.00 O ATOM 193 OE2 GLU A 14 14.994 4.596 -0.289 1.00 0.00 O ATOM 0 H GLU A 14 10.901 4.704 -5.267 1.00 0.00 H new ATOM 0 HA GLU A 14 11.368 3.072 -2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.408 4.452 -3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.466 5.877 -3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.456 5.412 -0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.687 3.691 -1.164 1.00 0.00 H new ATOM 200 N VAL A 15 9.370 4.232 -1.841 1.00 0.00 N ATOM 201 CA VAL A 15 8.192 4.941 -1.266 1.00 0.00 C ATOM 202 C VAL A 15 8.670 6.105 -0.396 1.00 0.00 C ATOM 203 O VAL A 15 9.652 6.001 0.312 1.00 0.00 O ATOM 204 CB VAL A 15 7.378 3.967 -0.412 1.00 0.00 C ATOM 205 CG1 VAL A 15 6.019 4.589 -0.082 1.00 0.00 C ATOM 206 CG2 VAL A 15 7.167 2.665 -1.187 1.00 0.00 C ATOM 0 H VAL A 15 9.521 3.286 -1.491 1.00 0.00 H new ATOM 0 HA VAL A 15 7.569 5.324 -2.074 1.00 0.00 H new ATOM 0 HB VAL A 15 7.916 3.758 0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.439 3.895 0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.168 5.517 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.481 4.798 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.587 1.970 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.629 2.875 -2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.134 2.221 -1.423 1.00 0.00 H new ATOM 216 N ILE A 16 7.984 7.214 -0.444 1.00 0.00 N ATOM 217 CA ILE A 16 8.401 8.383 0.382 1.00 0.00 C ATOM 218 C ILE A 16 7.355 8.638 1.468 1.00 0.00 C ATOM 219 O ILE A 16 7.672 8.748 2.635 1.00 0.00 O ATOM 220 CB ILE A 16 8.521 9.620 -0.511 1.00 0.00 C ATOM 221 CG1 ILE A 16 9.442 9.309 -1.692 1.00 0.00 C ATOM 222 CG2 ILE A 16 9.106 10.779 0.298 1.00 0.00 C ATOM 223 CD1 ILE A 16 10.752 8.713 -1.175 1.00 0.00 C ATOM 0 H ILE A 16 7.154 7.361 -1.018 1.00 0.00 H new ATOM 0 HA ILE A 16 9.365 8.175 0.847 1.00 0.00 H new ATOM 0 HB ILE A 16 7.534 9.897 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 16 8.955 8.610 -2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.643 10.218 -2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.191 11.660 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.451 11.002 1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.093 10.502 0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.408 8.491 -2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.240 9.428 -0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.542 7.795 -0.627 1.00 0.00 H new ATOM 235 N GLU A 17 6.108 8.732 1.094 1.00 0.00 N ATOM 236 CA GLU A 17 5.043 8.980 2.106 1.00 0.00 C ATOM 237 C GLU A 17 3.735 8.338 1.637 1.00 0.00 C ATOM 238 O GLU A 17 3.403 8.369 0.469 1.00 0.00 O ATOM 239 CB GLU A 17 4.841 10.487 2.276 1.00 0.00 C ATOM 240 CG GLU A 17 5.141 10.882 3.724 1.00 0.00 C ATOM 241 CD GLU A 17 4.460 12.214 4.041 1.00 0.00 C ATOM 242 OE1 GLU A 17 3.267 12.317 3.807 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.142 13.108 4.514 1.00 0.00 O ATOM 0 H GLU A 17 5.781 8.648 0.131 1.00 0.00 H new ATOM 0 HA GLU A 17 5.340 8.545 3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.496 11.031 1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.817 10.759 2.018 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.785 10.108 4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.217 10.967 3.873 1.00 0.00 H new ATOM 250 N LEU A 18 2.990 7.758 2.539 1.00 0.00 N ATOM 251 CA LEU A 18 1.705 7.117 2.142 1.00 0.00 C ATOM 252 C LEU A 18 0.540 8.037 2.511 1.00 0.00 C ATOM 253 O LEU A 18 0.604 8.781 3.470 1.00 0.00 O ATOM 254 CB LEU A 18 1.555 5.782 2.876 1.00 0.00 C ATOM 255 CG LEU A 18 1.471 4.646 1.856 1.00 0.00 C ATOM 256 CD1 LEU A 18 2.107 3.385 2.443 1.00 0.00 C ATOM 257 CD2 LEU A 18 0.004 4.368 1.522 1.00 0.00 C ATOM 0 H LEU A 18 3.216 7.701 3.532 1.00 0.00 H new ATOM 0 HA LEU A 18 1.702 6.943 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.403 5.624 3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.659 5.795 3.497 1.00 0.00 H new ATOM 0 HG LEU A 18 2.003 4.933 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.047 2.575 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.152 3.582 2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.576 3.098 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.056 3.558 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.528 4.081 2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.450 5.266 1.104 1.00 0.00 H new ATOM 269 N LEU A 19 -0.524 7.994 1.757 1.00 0.00 N ATOM 270 CA LEU A 19 -1.691 8.866 2.065 1.00 0.00 C ATOM 271 C LEU A 19 -2.987 8.090 1.824 1.00 0.00 C ATOM 272 O LEU A 19 -3.881 8.552 1.142 1.00 0.00 O ATOM 273 CB LEU A 19 -1.659 10.099 1.159 1.00 0.00 C ATOM 274 CG LEU A 19 -1.400 9.665 -0.284 1.00 0.00 C ATOM 275 CD1 LEU A 19 -2.639 9.951 -1.134 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.208 10.445 -0.842 1.00 0.00 C ATOM 0 H LEU A 19 -0.635 7.392 0.941 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.645 9.179 3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.605 10.636 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.879 10.786 1.489 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.182 8.597 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.454 9.641 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.489 9.397 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.858 11.018 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.021 10.137 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.428 11.512 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.675 10.242 -0.237 1.00 0.00 H new ATOM 288 N VAL A 20 -3.097 6.913 2.378 1.00 0.00 N ATOM 289 CA VAL A 20 -4.335 6.109 2.179 1.00 0.00 C ATOM 290 C VAL A 20 -4.571 5.225 3.405 1.00 0.00 C ATOM 291 O VAL A 20 -3.683 5.008 4.206 1.00 0.00 O ATOM 292 CB VAL A 20 -4.178 5.230 0.938 1.00 0.00 C ATOM 293 CG1 VAL A 20 -4.530 6.040 -0.310 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.731 4.744 0.839 1.00 0.00 C ATOM 0 H VAL A 20 -2.383 6.474 2.959 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.185 6.778 2.045 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.846 4.372 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.418 5.413 -1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.561 6.387 -0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.863 6.898 -0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.617 4.117 -0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.063 5.602 0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.480 4.166 1.728 1.00 0.00 H new ATOM 304 N LYS A 21 -5.760 4.711 3.558 1.00 0.00 N ATOM 305 CA LYS A 21 -6.051 3.841 4.733 1.00 0.00 C ATOM 306 C LYS A 21 -6.742 2.561 4.260 1.00 0.00 C ATOM 307 O LYS A 21 -7.212 2.474 3.142 1.00 0.00 O ATOM 308 CB LYS A 21 -6.968 4.586 5.705 1.00 0.00 C ATOM 309 CG LYS A 21 -6.434 4.431 7.131 1.00 0.00 C ATOM 310 CD LYS A 21 -5.248 5.375 7.338 1.00 0.00 C ATOM 311 CE LYS A 21 -4.557 5.044 8.662 1.00 0.00 C ATOM 312 NZ LYS A 21 -3.436 4.093 8.414 1.00 0.00 N ATOM 0 H LYS A 21 -6.543 4.856 2.920 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.118 3.586 5.237 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.019 5.641 5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.982 4.191 5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.221 4.655 7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.126 3.400 7.305 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.543 5.276 6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.590 6.410 7.343 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.179 5.956 9.125 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.272 4.606 9.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.966 3.868 9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.809 3.220 7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.750 4.527 7.764 1.00 0.00 H new ATOM 326 N THR A 22 -6.808 1.565 5.100 1.00 0.00 N ATOM 327 CA THR A 22 -7.469 0.292 4.698 1.00 0.00 C ATOM 328 C THR A 22 -8.984 0.434 4.847 1.00 0.00 C ATOM 329 O THR A 22 -9.472 1.040 5.782 1.00 0.00 O ATOM 330 CB THR A 22 -6.973 -0.846 5.594 1.00 0.00 C ATOM 331 OG1 THR A 22 -5.577 -1.026 5.398 1.00 0.00 O ATOM 332 CG2 THR A 22 -7.712 -2.137 5.239 1.00 0.00 C ATOM 0 H THR A 22 -6.432 1.578 6.048 1.00 0.00 H new ATOM 0 HA THR A 22 -7.226 0.069 3.659 1.00 0.00 H new ATOM 0 HB THR A 22 -7.164 -0.597 6.638 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.257 -1.753 5.972 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.358 -2.946 5.878 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.782 -1.997 5.390 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.523 -2.389 4.196 1.00 0.00 H new ATOM 340 N GLY A 23 -9.735 -0.119 3.934 1.00 0.00 N ATOM 341 CA GLY A 23 -11.219 -0.016 4.025 1.00 0.00 C ATOM 342 C GLY A 23 -11.686 1.261 3.323 1.00 0.00 C ATOM 343 O GLY A 23 -12.863 1.460 3.098 1.00 0.00 O ATOM 0 H GLY A 23 -9.385 -0.638 3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.684 -0.888 3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.530 -0.004 5.070 1.00 0.00 H new ATOM 347 N ASP A 24 -10.775 2.126 2.975 1.00 0.00 N ATOM 348 CA ASP A 24 -11.170 3.389 2.287 1.00 0.00 C ATOM 349 C ASP A 24 -11.345 3.122 0.790 1.00 0.00 C ATOM 350 O ASP A 24 -10.521 2.488 0.162 1.00 0.00 O ATOM 351 CB ASP A 24 -10.081 4.443 2.492 1.00 0.00 C ATOM 352 CG ASP A 24 -9.885 4.693 3.989 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.986 3.741 4.746 1.00 0.00 O ATOM 354 OD2 ASP A 24 -9.639 5.831 4.352 1.00 0.00 O ATOM 0 H ASP A 24 -9.774 2.014 3.137 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.110 3.751 2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.146 4.107 2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.359 5.370 1.991 1.00 0.00 H new ATOM 359 N LEU A 25 -12.413 3.601 0.215 1.00 0.00 N ATOM 360 CA LEU A 25 -12.640 3.375 -1.240 1.00 0.00 C ATOM 361 C LEU A 25 -11.923 4.464 -2.042 1.00 0.00 C ATOM 362 O LEU A 25 -12.226 5.635 -1.925 1.00 0.00 O ATOM 363 CB LEU A 25 -14.141 3.427 -1.536 1.00 0.00 C ATOM 364 CG LEU A 25 -14.490 2.377 -2.592 1.00 0.00 C ATOM 365 CD1 LEU A 25 -15.934 1.914 -2.394 1.00 0.00 C ATOM 366 CD2 LEU A 25 -14.337 2.988 -3.987 1.00 0.00 C ATOM 0 H LEU A 25 -13.138 4.139 0.689 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.248 2.398 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.709 3.243 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.418 4.420 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.819 1.524 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -16.183 1.166 -3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.044 1.480 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.606 2.766 -2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -14.585 2.241 -4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -15.009 3.841 -4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.308 3.318 -4.129 1.00 0.00 H new ATOM 378 N ILE A 26 -10.974 4.088 -2.854 1.00 0.00 N ATOM 379 CA ILE A 26 -10.237 5.097 -3.660 1.00 0.00 C ATOM 380 C ILE A 26 -10.954 5.296 -4.998 1.00 0.00 C ATOM 381 O ILE A 26 -12.043 4.798 -5.209 1.00 0.00 O ATOM 382 CB ILE A 26 -8.815 4.593 -3.909 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.330 3.813 -2.684 1.00 0.00 C ATOM 384 CG2 ILE A 26 -7.882 5.779 -4.157 1.00 0.00 C ATOM 385 CD1 ILE A 26 -6.854 3.453 -2.860 1.00 0.00 C ATOM 0 H ILE A 26 -10.677 3.122 -2.993 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.200 6.046 -3.125 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.812 3.942 -4.784 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.465 4.411 -1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.924 2.908 -2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.870 5.415 -4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.225 6.336 -5.029 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.885 6.433 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.508 2.898 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.733 2.839 -3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.267 4.365 -2.965 1.00 0.00 H new ATOM 397 N GLU A 27 -10.356 6.021 -5.902 1.00 0.00 N ATOM 398 CA GLU A 27 -11.005 6.250 -7.223 1.00 0.00 C ATOM 399 C GLU A 27 -9.931 6.374 -8.304 1.00 0.00 C ATOM 400 O GLU A 27 -8.761 6.530 -8.015 1.00 0.00 O ATOM 401 CB GLU A 27 -11.827 7.540 -7.171 1.00 0.00 C ATOM 402 CG GLU A 27 -11.024 8.629 -6.455 1.00 0.00 C ATOM 403 CD GLU A 27 -11.786 9.954 -6.524 1.00 0.00 C ATOM 404 OE1 GLU A 27 -12.990 9.932 -6.335 1.00 0.00 O ATOM 405 OE2 GLU A 27 -11.150 10.968 -6.763 1.00 0.00 O ATOM 0 H GLU A 27 -9.445 6.465 -5.783 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.660 5.411 -7.456 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.079 7.864 -8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.767 7.364 -6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.856 8.348 -5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.043 8.737 -6.919 1.00 0.00 H new ATOM 412 N VAL A 28 -10.316 6.305 -9.549 1.00 0.00 N ATOM 413 CA VAL A 28 -9.315 6.419 -10.646 1.00 0.00 C ATOM 414 C VAL A 28 -8.931 7.889 -10.835 1.00 0.00 C ATOM 415 O VAL A 28 -9.401 8.551 -11.738 1.00 0.00 O ATOM 416 CB VAL A 28 -9.917 5.879 -11.945 1.00 0.00 C ATOM 417 CG1 VAL A 28 -11.125 6.728 -12.341 1.00 0.00 C ATOM 418 CG2 VAL A 28 -8.866 5.939 -13.057 1.00 0.00 C ATOM 0 H VAL A 28 -11.281 6.175 -9.853 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.427 5.841 -10.389 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.233 4.846 -11.796 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.553 6.343 -13.266 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -11.874 6.687 -11.550 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.811 7.761 -12.489 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.294 5.555 -13.983 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.551 6.972 -13.204 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.004 5.333 -12.776 1.00 0.00 H new ATOM 428 N GLU A 29 -8.076 8.401 -9.992 1.00 0.00 N ATOM 429 CA GLU A 29 -7.660 9.824 -10.121 1.00 0.00 C ATOM 430 C GLU A 29 -7.014 10.288 -8.814 1.00 0.00 C ATOM 431 O GLU A 29 -6.084 11.071 -8.813 1.00 0.00 O ATOM 432 CB GLU A 29 -8.884 10.693 -10.421 1.00 0.00 C ATOM 433 CG GLU A 29 -10.084 10.178 -9.624 1.00 0.00 C ATOM 434 CD GLU A 29 -11.040 11.336 -9.335 1.00 0.00 C ATOM 435 OE1 GLU A 29 -10.558 12.432 -9.097 1.00 0.00 O ATOM 436 OE2 GLU A 29 -12.238 11.108 -9.354 1.00 0.00 O ATOM 0 H GLU A 29 -7.648 7.893 -9.218 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.942 9.917 -10.936 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.679 11.731 -10.160 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.106 10.671 -11.488 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.599 9.399 -10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.748 9.728 -8.690 1.00 0.00 H new ATOM 443 N GLN A 30 -7.497 9.810 -7.699 1.00 0.00 N ATOM 444 CA GLN A 30 -6.908 10.224 -6.394 1.00 0.00 C ATOM 445 C GLN A 30 -5.511 9.618 -6.251 1.00 0.00 C ATOM 446 O GLN A 30 -5.275 8.486 -6.623 1.00 0.00 O ATOM 447 CB GLN A 30 -7.799 9.730 -5.252 1.00 0.00 C ATOM 448 CG GLN A 30 -7.878 10.801 -4.163 1.00 0.00 C ATOM 449 CD GLN A 30 -6.757 10.579 -3.146 1.00 0.00 C ATOM 450 OE1 GLN A 30 -5.629 10.968 -3.372 1.00 0.00 O ATOM 451 NE2 GLN A 30 -7.022 9.963 -2.026 1.00 0.00 N ATOM 0 H GLN A 30 -8.273 9.151 -7.636 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.838 11.311 -6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.797 9.504 -5.627 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.398 8.805 -4.838 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.790 11.793 -4.607 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.847 10.759 -3.666 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.969 9.636 -1.836 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.282 9.809 -1.341 1.00 0.00 H new ATOM 460 N GLY A 31 -4.583 10.363 -5.714 1.00 0.00 N ATOM 461 CA GLY A 31 -3.203 9.827 -5.548 1.00 0.00 C ATOM 462 C GLY A 31 -3.205 8.718 -4.496 1.00 0.00 C ATOM 463 O GLY A 31 -4.147 8.565 -3.743 1.00 0.00 O ATOM 0 H GLY A 31 -4.721 11.318 -5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.836 9.439 -6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.526 10.626 -5.247 1.00 0.00 H new ATOM 467 N LEU A 32 -2.158 7.941 -4.437 1.00 0.00 N ATOM 468 CA LEU A 32 -2.099 6.841 -3.434 1.00 0.00 C ATOM 469 C LEU A 32 -0.794 6.940 -2.644 1.00 0.00 C ATOM 470 O LEU A 32 -0.766 6.741 -1.446 1.00 0.00 O ATOM 471 CB LEU A 32 -2.159 5.492 -4.153 1.00 0.00 C ATOM 472 CG LEU A 32 -3.121 4.562 -3.412 1.00 0.00 C ATOM 473 CD1 LEU A 32 -3.356 3.302 -4.247 1.00 0.00 C ATOM 474 CD2 LEU A 32 -2.514 4.173 -2.063 1.00 0.00 C ATOM 0 H LEU A 32 -1.340 8.021 -5.041 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.944 6.927 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.491 5.631 -5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.165 5.046 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.070 5.073 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.041 2.639 -3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.787 3.578 -5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.407 2.790 -4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.198 3.510 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.565 3.661 -2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.345 5.070 -1.468 1.00 0.00 H new ATOM 486 N VAL A 33 0.289 7.247 -3.305 1.00 0.00 N ATOM 487 CA VAL A 33 1.591 7.358 -2.589 1.00 0.00 C ATOM 488 C VAL A 33 2.544 8.241 -3.397 1.00 0.00 C ATOM 489 O VAL A 33 2.240 8.654 -4.499 1.00 0.00 O ATOM 490 CB VAL A 33 2.203 5.966 -2.423 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.289 5.106 -1.549 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.356 5.311 -3.798 1.00 0.00 C ATOM 0 H VAL A 33 0.328 7.425 -4.309 1.00 0.00 H new ATOM 0 HA VAL A 33 1.428 7.802 -1.607 1.00 0.00 H new ATOM 0 HB VAL A 33 3.181 6.053 -1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.726 4.114 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.178 5.572 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.311 5.018 -2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.792 4.319 -3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.378 5.224 -4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.007 5.923 -4.422 1.00 0.00 H new ATOM 502 N VAL A 34 3.696 8.534 -2.858 1.00 0.00 N ATOM 503 CA VAL A 34 4.668 9.390 -3.595 1.00 0.00 C ATOM 504 C VAL A 34 5.989 8.635 -3.757 1.00 0.00 C ATOM 505 O VAL A 34 6.759 8.505 -2.827 1.00 0.00 O ATOM 506 CB VAL A 34 4.911 10.680 -2.809 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.873 11.579 -3.586 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.581 11.410 -2.608 1.00 0.00 C ATOM 0 H VAL A 34 4.006 8.218 -1.939 1.00 0.00 H new ATOM 0 HA VAL A 34 4.265 9.635 -4.578 1.00 0.00 H new ATOM 0 HB VAL A 34 5.345 10.438 -1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.046 12.498 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.820 11.059 -3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.440 11.822 -4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.752 12.330 -2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.148 11.651 -3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.895 10.770 -2.054 1.00 0.00 H new ATOM 518 N LEU A 35 6.257 8.136 -4.933 1.00 0.00 N ATOM 519 CA LEU A 35 7.528 7.391 -5.154 1.00 0.00 C ATOM 520 C LEU A 35 8.621 8.364 -5.601 1.00 0.00 C ATOM 521 O LEU A 35 8.348 9.388 -6.193 1.00 0.00 O ATOM 522 CB LEU A 35 7.315 6.330 -6.237 1.00 0.00 C ATOM 523 CG LEU A 35 6.801 5.040 -5.597 1.00 0.00 C ATOM 524 CD1 LEU A 35 7.897 4.434 -4.718 1.00 0.00 C ATOM 525 CD2 LEU A 35 5.575 5.354 -4.736 1.00 0.00 C ATOM 0 H LEU A 35 5.651 8.212 -5.750 1.00 0.00 H new ATOM 0 HA LEU A 35 7.831 6.908 -4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.601 6.690 -6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.251 6.139 -6.763 1.00 0.00 H new ATOM 0 HG LEU A 35 6.528 4.330 -6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.531 3.514 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.772 4.212 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.170 5.143 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.207 4.436 -4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.851 6.063 -3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.793 5.787 -5.360 1.00 0.00 H new ATOM 537 N GLU A 36 9.857 8.050 -5.322 1.00 0.00 N ATOM 538 CA GLU A 36 10.965 8.958 -5.731 1.00 0.00 C ATOM 539 C GLU A 36 12.061 8.143 -6.421 1.00 0.00 C ATOM 540 O GLU A 36 12.684 7.289 -5.823 1.00 0.00 O ATOM 541 CB GLU A 36 11.544 9.646 -4.493 1.00 0.00 C ATOM 542 CG GLU A 36 11.725 11.139 -4.775 1.00 0.00 C ATOM 543 CD GLU A 36 10.617 11.928 -4.078 1.00 0.00 C ATOM 544 OE1 GLU A 36 9.485 11.846 -4.527 1.00 0.00 O ATOM 545 OE2 GLU A 36 10.918 12.602 -3.107 1.00 0.00 O ATOM 0 H GLU A 36 10.147 7.205 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 36 10.583 9.712 -6.420 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.879 9.504 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.501 9.197 -4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.701 11.471 -4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.697 11.323 -5.849 1.00 0.00 H new ATOM 552 N SER A 37 12.302 8.402 -7.678 1.00 0.00 N ATOM 553 CA SER A 37 13.357 7.643 -8.405 1.00 0.00 C ATOM 554 C SER A 37 14.683 8.401 -8.319 1.00 0.00 C ATOM 555 O SER A 37 14.801 9.386 -7.619 1.00 0.00 O ATOM 556 CB SER A 37 12.953 7.487 -9.872 1.00 0.00 C ATOM 557 OG SER A 37 11.542 7.610 -9.986 1.00 0.00 O ATOM 0 H SER A 37 11.814 9.106 -8.232 1.00 0.00 H new ATOM 0 HA SER A 37 13.472 6.658 -7.953 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.446 8.246 -10.480 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.277 6.517 -10.249 1.00 0.00 H new ATOM 0 HG SER A 37 11.161 6.754 -10.274 1.00 0.00 H new ATOM 563 N ALA A 38 15.682 7.950 -9.028 1.00 0.00 N ATOM 564 CA ALA A 38 16.999 8.645 -8.986 1.00 0.00 C ATOM 565 C ALA A 38 16.794 10.141 -9.232 1.00 0.00 C ATOM 566 O ALA A 38 17.167 10.969 -8.424 1.00 0.00 O ATOM 567 CB ALA A 38 17.914 8.071 -10.070 1.00 0.00 C ATOM 0 H ALA A 38 15.643 7.131 -9.634 1.00 0.00 H new ATOM 0 HA ALA A 38 17.457 8.497 -8.008 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.878 8.579 -10.039 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.060 7.005 -9.896 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.457 8.219 -11.048 1.00 0.00 H new ATOM 573 N LYS A 39 16.205 10.494 -10.341 1.00 0.00 N ATOM 574 CA LYS A 39 15.978 11.936 -10.638 1.00 0.00 C ATOM 575 C LYS A 39 14.601 12.114 -11.283 1.00 0.00 C ATOM 576 O LYS A 39 14.463 12.753 -12.307 1.00 0.00 O ATOM 577 CB LYS A 39 17.059 12.438 -11.597 1.00 0.00 C ATOM 578 CG LYS A 39 18.414 11.857 -11.187 1.00 0.00 C ATOM 579 CD LYS A 39 19.458 12.192 -12.254 1.00 0.00 C ATOM 580 CE LYS A 39 20.859 12.063 -11.656 1.00 0.00 C ATOM 581 NZ LYS A 39 21.568 13.369 -11.766 1.00 0.00 N ATOM 0 H LYS A 39 15.871 9.846 -11.054 1.00 0.00 H new ATOM 0 HA LYS A 39 16.022 12.508 -9.711 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.819 12.144 -12.619 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.098 13.527 -11.580 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.720 12.265 -10.224 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.336 10.777 -11.066 1.00 0.00 H new ATOM 0 HD2 LYS A 39 19.351 11.520 -13.106 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.302 13.205 -12.625 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.794 11.759 -10.611 1.00 0.00 H new ATOM 0 HE3 LYS A 39 21.419 11.288 -12.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 22.521 13.282 -11.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 21.642 13.640 -12.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.036 14.097 -11.248 1.00 0.00 H new ATOM 595 N ALA A 40 13.583 11.553 -10.691 1.00 0.00 N ATOM 596 CA ALA A 40 12.216 11.690 -11.271 1.00 0.00 C ATOM 597 C ALA A 40 11.173 11.528 -10.163 1.00 0.00 C ATOM 598 O ALA A 40 10.910 10.436 -9.700 1.00 0.00 O ATOM 599 CB ALA A 40 12.003 10.609 -12.334 1.00 0.00 C ATOM 0 H ALA A 40 13.638 11.006 -9.832 1.00 0.00 H new ATOM 0 HA ALA A 40 12.111 12.674 -11.727 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.004 10.708 -12.759 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.746 10.724 -13.123 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.107 9.625 -11.878 1.00 0.00 H new ATOM 605 N SER A 41 10.579 12.607 -9.734 1.00 0.00 N ATOM 606 CA SER A 41 9.554 12.514 -8.655 1.00 0.00 C ATOM 607 C SER A 41 8.166 12.359 -9.282 1.00 0.00 C ATOM 608 O SER A 41 7.708 13.212 -10.017 1.00 0.00 O ATOM 609 CB SER A 41 9.591 13.785 -7.807 1.00 0.00 C ATOM 610 OG SER A 41 10.418 14.751 -8.442 1.00 0.00 O ATOM 0 H SER A 41 10.758 13.548 -10.083 1.00 0.00 H new ATOM 0 HA SER A 41 9.767 11.650 -8.025 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.583 14.180 -7.680 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.974 13.560 -6.811 1.00 0.00 H new ATOM 0 HG SER A 41 10.442 15.568 -7.901 1.00 0.00 H new ATOM 616 N MET A 42 7.495 11.277 -8.998 1.00 0.00 N ATOM 617 CA MET A 42 6.138 11.069 -9.579 1.00 0.00 C ATOM 618 C MET A 42 5.197 10.537 -8.496 1.00 0.00 C ATOM 619 O MET A 42 5.626 10.048 -7.471 1.00 0.00 O ATOM 620 CB MET A 42 6.223 10.056 -10.723 1.00 0.00 C ATOM 621 CG MET A 42 6.734 8.719 -10.186 1.00 0.00 C ATOM 622 SD MET A 42 7.589 7.825 -11.507 1.00 0.00 S ATOM 623 CE MET A 42 9.250 8.464 -11.177 1.00 0.00 C ATOM 0 H MET A 42 7.827 10.529 -8.390 1.00 0.00 H new ATOM 0 HA MET A 42 5.756 12.016 -9.960 1.00 0.00 H new ATOM 0 HB2 MET A 42 5.242 9.925 -11.180 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.890 10.426 -11.501 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.411 8.886 -9.348 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.902 8.124 -9.809 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.984 7.862 -11.712 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.315 9.499 -11.513 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.452 8.417 -10.107 1.00 0.00 H new ATOM 633 N GLU A 43 3.913 10.629 -8.716 1.00 0.00 N ATOM 634 CA GLU A 43 2.945 10.129 -7.700 1.00 0.00 C ATOM 635 C GLU A 43 2.317 8.824 -8.192 1.00 0.00 C ATOM 636 O GLU A 43 2.518 8.413 -9.318 1.00 0.00 O ATOM 637 CB GLU A 43 1.846 11.173 -7.483 1.00 0.00 C ATOM 638 CG GLU A 43 2.348 12.249 -6.518 1.00 0.00 C ATOM 639 CD GLU A 43 1.344 13.402 -6.473 1.00 0.00 C ATOM 640 OE1 GLU A 43 0.270 13.249 -7.031 1.00 0.00 O ATOM 641 OE2 GLU A 43 1.665 14.419 -5.880 1.00 0.00 O ATOM 0 H GLU A 43 3.494 11.029 -9.555 1.00 0.00 H new ATOM 0 HA GLU A 43 3.467 9.950 -6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.566 11.625 -8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.952 10.697 -7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.478 11.827 -5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.323 12.614 -6.839 1.00 0.00 H new ATOM 648 N VAL A 44 1.558 8.168 -7.357 1.00 0.00 N ATOM 649 CA VAL A 44 0.918 6.890 -7.778 1.00 0.00 C ATOM 650 C VAL A 44 -0.486 6.799 -7.170 1.00 0.00 C ATOM 651 O VAL A 44 -0.643 6.387 -6.038 1.00 0.00 O ATOM 652 CB VAL A 44 1.761 5.713 -7.284 1.00 0.00 C ATOM 653 CG1 VAL A 44 1.210 4.410 -7.866 1.00 0.00 C ATOM 654 CG2 VAL A 44 3.211 5.900 -7.739 1.00 0.00 C ATOM 0 H VAL A 44 1.354 8.462 -6.402 1.00 0.00 H new ATOM 0 HA VAL A 44 0.848 6.859 -8.865 1.00 0.00 H new ATOM 0 HB VAL A 44 1.722 5.670 -6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.811 3.571 -7.514 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.177 4.276 -7.545 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.249 4.453 -8.954 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.813 5.062 -7.388 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.248 5.943 -8.828 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.605 6.829 -7.326 1.00 0.00 H new ATOM 664 N PRO A 45 -1.467 7.192 -7.944 1.00 0.00 N ATOM 665 CA PRO A 45 -2.874 7.168 -7.511 1.00 0.00 C ATOM 666 C PRO A 45 -3.430 5.744 -7.573 1.00 0.00 C ATOM 667 O PRO A 45 -2.700 4.788 -7.744 1.00 0.00 O ATOM 668 CB PRO A 45 -3.579 8.072 -8.526 1.00 0.00 C ATOM 669 CG PRO A 45 -2.678 8.099 -9.782 1.00 0.00 C ATOM 670 CD PRO A 45 -1.267 7.690 -9.320 1.00 0.00 C ATOM 0 HA PRO A 45 -3.010 7.502 -6.482 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.570 7.687 -8.767 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.716 9.076 -8.124 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.051 7.412 -10.541 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.666 9.093 -10.229 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.844 6.920 -9.965 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.580 8.536 -9.342 1.00 0.00 H new ATOM 678 N SER A 46 -4.718 5.598 -7.437 1.00 0.00 N ATOM 679 CA SER A 46 -5.324 4.237 -7.489 1.00 0.00 C ATOM 680 C SER A 46 -5.591 3.855 -8.950 1.00 0.00 C ATOM 681 O SER A 46 -6.173 4.624 -9.688 1.00 0.00 O ATOM 682 CB SER A 46 -6.643 4.240 -6.714 1.00 0.00 C ATOM 683 OG SER A 46 -7.379 3.068 -7.037 1.00 0.00 O ATOM 0 H SER A 46 -5.378 6.362 -7.292 1.00 0.00 H new ATOM 0 HA SER A 46 -4.641 3.515 -7.043 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.448 4.277 -5.642 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.223 5.128 -6.964 1.00 0.00 H new ATOM 0 HG SER A 46 -8.330 3.290 -7.116 1.00 0.00 H new ATOM 689 N PRO A 47 -5.161 2.675 -9.328 1.00 0.00 N ATOM 690 CA PRO A 47 -5.347 2.169 -10.699 1.00 0.00 C ATOM 691 C PRO A 47 -6.776 1.657 -10.890 1.00 0.00 C ATOM 692 O PRO A 47 -7.162 1.245 -11.965 1.00 0.00 O ATOM 693 CB PRO A 47 -4.337 1.023 -10.799 1.00 0.00 C ATOM 694 CG PRO A 47 -4.048 0.570 -9.348 1.00 0.00 C ATOM 695 CD PRO A 47 -4.453 1.739 -8.431 1.00 0.00 C ATOM 0 HA PRO A 47 -5.194 2.932 -11.463 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.740 0.200 -11.390 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.423 1.353 -11.293 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.614 -0.328 -9.103 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.993 0.326 -9.221 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.097 1.403 -7.618 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.581 2.208 -7.974 1.00 0.00 H new ATOM 703 N LYS A 48 -7.563 1.681 -9.851 1.00 0.00 N ATOM 704 CA LYS A 48 -8.968 1.197 -9.966 1.00 0.00 C ATOM 705 C LYS A 48 -9.797 1.766 -8.812 1.00 0.00 C ATOM 706 O LYS A 48 -9.309 1.940 -7.713 1.00 0.00 O ATOM 707 CB LYS A 48 -8.988 -0.332 -9.905 1.00 0.00 C ATOM 708 CG LYS A 48 -9.453 -0.890 -11.252 1.00 0.00 C ATOM 709 CD LYS A 48 -10.668 -1.797 -11.038 1.00 0.00 C ATOM 710 CE LYS A 48 -11.249 -2.201 -12.394 1.00 0.00 C ATOM 711 NZ LYS A 48 -12.540 -2.917 -12.188 1.00 0.00 N ATOM 0 H LYS A 48 -7.294 2.015 -8.926 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.391 1.527 -10.915 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.994 -0.710 -9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.656 -0.666 -9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.710 -0.073 -11.927 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.646 -1.451 -11.723 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.378 -2.685 -10.476 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.423 -1.278 -10.447 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.406 -1.317 -13.012 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.546 -2.842 -12.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.935 -3.192 -13.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.377 -3.768 -11.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.210 -2.291 -11.697 1.00 0.00 H new ATOM 725 N ALA A 49 -11.046 2.055 -9.052 1.00 0.00 N ATOM 726 CA ALA A 49 -11.903 2.610 -7.967 1.00 0.00 C ATOM 727 C ALA A 49 -12.479 1.463 -7.135 1.00 0.00 C ATOM 728 O ALA A 49 -13.513 0.910 -7.454 1.00 0.00 O ATOM 729 CB ALA A 49 -13.047 3.419 -8.583 1.00 0.00 C ATOM 0 H ALA A 49 -11.510 1.931 -9.952 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.304 3.258 -7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.674 3.825 -7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.637 4.237 -9.175 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.646 2.772 -9.224 1.00 0.00 H new ATOM 735 N GLY A 50 -11.819 1.101 -6.068 1.00 0.00 N ATOM 736 CA GLY A 50 -12.330 -0.011 -5.218 1.00 0.00 C ATOM 737 C GLY A 50 -12.047 0.297 -3.747 1.00 0.00 C ATOM 738 O GLY A 50 -11.910 1.439 -3.358 1.00 0.00 O ATOM 0 H GLY A 50 -10.949 1.527 -5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.401 -0.139 -5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.852 -0.949 -5.502 1.00 0.00 H new ATOM 742 N VAL A 51 -11.957 -0.714 -2.927 1.00 0.00 N ATOM 743 CA VAL A 51 -11.683 -0.478 -1.481 1.00 0.00 C ATOM 744 C VAL A 51 -10.344 -1.116 -1.105 1.00 0.00 C ATOM 745 O VAL A 51 -9.998 -2.179 -1.580 1.00 0.00 O ATOM 746 CB VAL A 51 -12.799 -1.102 -0.641 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.716 -2.627 -0.736 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.635 -0.674 0.819 1.00 0.00 C ATOM 0 H VAL A 51 -12.061 -1.693 -3.195 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.641 0.594 -1.290 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.767 -0.766 -1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.511 -3.073 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.829 -2.933 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.749 -2.963 -0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.429 -1.117 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.667 -1.012 1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.691 0.412 0.888 1.00 0.00 H new ATOM 758 N VAL A 52 -9.588 -0.476 -0.256 1.00 0.00 N ATOM 759 CA VAL A 52 -8.274 -1.047 0.150 1.00 0.00 C ATOM 760 C VAL A 52 -8.501 -2.347 0.924 1.00 0.00 C ATOM 761 O VAL A 52 -8.990 -2.341 2.037 1.00 0.00 O ATOM 762 CB VAL A 52 -7.534 -0.047 1.038 1.00 0.00 C ATOM 763 CG1 VAL A 52 -6.308 -0.721 1.660 1.00 0.00 C ATOM 764 CG2 VAL A 52 -7.083 1.147 0.194 1.00 0.00 C ATOM 0 H VAL A 52 -9.824 0.418 0.174 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.677 -1.252 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.200 0.295 1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.782 -0.006 2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.627 -1.572 2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.641 -1.065 0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.555 1.861 0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.418 0.802 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.954 1.630 -0.249 1.00 0.00 H new ATOM 774 N LYS A 53 -8.151 -3.464 0.346 1.00 0.00 N ATOM 775 CA LYS A 53 -8.348 -4.762 1.048 1.00 0.00 C ATOM 776 C LYS A 53 -7.182 -5.005 2.009 1.00 0.00 C ATOM 777 O LYS A 53 -7.349 -5.562 3.076 1.00 0.00 O ATOM 778 CB LYS A 53 -8.411 -5.895 0.023 1.00 0.00 C ATOM 779 CG LYS A 53 -9.497 -6.893 0.428 1.00 0.00 C ATOM 780 CD LYS A 53 -9.032 -8.314 0.103 1.00 0.00 C ATOM 781 CE LYS A 53 -10.227 -9.267 0.157 1.00 0.00 C ATOM 782 NZ LYS A 53 -9.849 -10.497 0.908 1.00 0.00 N ATOM 0 H LYS A 53 -7.737 -3.533 -0.584 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.281 -4.732 1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.624 -5.492 -0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.446 -6.398 -0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.709 -6.803 1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.424 -6.672 -0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.576 -8.341 -0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.269 -8.630 0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.073 -8.779 0.640 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.544 -9.528 -0.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.662 -11.145 0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.054 -10.966 0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.567 -10.240 1.876 1.00 0.00 H new ATOM 796 N SER A 54 -6.000 -4.595 1.637 1.00 0.00 N ATOM 797 CA SER A 54 -4.825 -4.804 2.530 1.00 0.00 C ATOM 798 C SER A 54 -3.626 -4.022 1.990 1.00 0.00 C ATOM 799 O SER A 54 -3.564 -3.688 0.824 1.00 0.00 O ATOM 800 CB SER A 54 -4.481 -6.293 2.578 1.00 0.00 C ATOM 801 OG SER A 54 -3.099 -6.447 2.868 1.00 0.00 O ATOM 0 H SER A 54 -5.797 -4.125 0.755 1.00 0.00 H new ATOM 0 HA SER A 54 -5.065 -4.453 3.533 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.082 -6.792 3.338 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.719 -6.764 1.624 1.00 0.00 H new ATOM 0 HG SER A 54 -2.876 -7.401 2.901 1.00 0.00 H new ATOM 807 N VAL A 55 -2.672 -3.727 2.830 1.00 0.00 N ATOM 808 CA VAL A 55 -1.477 -2.968 2.366 1.00 0.00 C ATOM 809 C VAL A 55 -0.226 -3.832 2.539 1.00 0.00 C ATOM 810 O VAL A 55 0.156 -4.173 3.640 1.00 0.00 O ATOM 811 CB VAL A 55 -1.332 -1.689 3.195 1.00 0.00 C ATOM 812 CG1 VAL A 55 -0.030 -0.981 2.818 1.00 0.00 C ATOM 813 CG2 VAL A 55 -2.517 -0.763 2.913 1.00 0.00 C ATOM 0 H VAL A 55 -2.669 -3.979 3.818 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.597 -2.708 1.314 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.313 -1.943 4.255 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.073 -0.070 3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.814 -1.641 3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.048 -0.726 1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.415 0.148 3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.536 -0.509 1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.445 -1.267 3.182 1.00 0.00 H new ATOM 823 N SER A 56 0.413 -4.191 1.459 1.00 0.00 N ATOM 824 CA SER A 56 1.637 -5.034 1.564 1.00 0.00 C ATOM 825 C SER A 56 2.880 -4.151 1.431 1.00 0.00 C ATOM 826 O SER A 56 3.966 -4.628 1.166 1.00 0.00 O ATOM 827 CB SER A 56 1.633 -6.079 0.447 1.00 0.00 C ATOM 828 OG SER A 56 1.203 -7.327 0.973 1.00 0.00 O ATOM 0 H SER A 56 0.140 -3.937 0.509 1.00 0.00 H new ATOM 0 HA SER A 56 1.650 -5.535 2.532 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.971 -5.764 -0.359 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.631 -6.176 0.020 1.00 0.00 H new ATOM 0 HG SER A 56 1.198 -7.998 0.259 1.00 0.00 H new ATOM 834 N VAL A 57 2.730 -2.868 1.614 1.00 0.00 N ATOM 835 CA VAL A 57 3.904 -1.957 1.498 1.00 0.00 C ATOM 836 C VAL A 57 4.070 -1.170 2.800 1.00 0.00 C ATOM 837 O VAL A 57 3.160 -1.079 3.601 1.00 0.00 O ATOM 838 CB VAL A 57 3.683 -0.985 0.339 1.00 0.00 C ATOM 839 CG1 VAL A 57 3.488 -1.772 -0.958 1.00 0.00 C ATOM 840 CG2 VAL A 57 2.437 -0.139 0.613 1.00 0.00 C ATOM 0 H VAL A 57 1.846 -2.411 1.839 1.00 0.00 H new ATOM 0 HA VAL A 57 4.803 -2.545 1.312 1.00 0.00 H new ATOM 0 HB VAL A 57 4.552 -0.334 0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.330 -1.079 -1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.374 -2.375 -1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.620 -2.424 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.279 0.554 -0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.569 -0.791 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.575 0.423 1.537 1.00 0.00 H new ATOM 850 N LYS A 58 5.223 -0.600 3.018 1.00 0.00 N ATOM 851 CA LYS A 58 5.445 0.180 4.267 1.00 0.00 C ATOM 852 C LYS A 58 6.129 1.505 3.927 1.00 0.00 C ATOM 853 O LYS A 58 6.530 1.738 2.804 1.00 0.00 O ATOM 854 CB LYS A 58 6.335 -0.623 5.219 1.00 0.00 C ATOM 855 CG LYS A 58 5.698 -0.656 6.609 1.00 0.00 C ATOM 856 CD LYS A 58 5.073 -2.031 6.852 1.00 0.00 C ATOM 857 CE LYS A 58 5.210 -2.400 8.331 1.00 0.00 C ATOM 858 NZ LYS A 58 4.629 -3.752 8.561 1.00 0.00 N ATOM 0 H LYS A 58 6.021 -0.641 2.384 1.00 0.00 H new ATOM 0 HA LYS A 58 4.486 0.378 4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.465 -1.638 4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.327 -0.174 5.273 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.450 -0.447 7.370 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.937 0.120 6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.022 -2.020 6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.565 -2.781 6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.260 -2.389 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.699 -1.663 8.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.722 -4.003 9.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.623 -3.747 8.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.136 -4.451 7.981 1.00 0.00 H new ATOM 872 N LEU A 59 6.265 2.378 4.887 1.00 0.00 N ATOM 873 CA LEU A 59 6.924 3.687 4.618 1.00 0.00 C ATOM 874 C LEU A 59 8.444 3.514 4.668 1.00 0.00 C ATOM 875 O LEU A 59 8.993 3.050 5.648 1.00 0.00 O ATOM 876 CB LEU A 59 6.491 4.703 5.677 1.00 0.00 C ATOM 877 CG LEU A 59 6.714 4.115 7.071 1.00 0.00 C ATOM 878 CD1 LEU A 59 7.369 5.165 7.971 1.00 0.00 C ATOM 879 CD2 LEU A 59 5.368 3.701 7.670 1.00 0.00 C ATOM 0 H LEU A 59 5.948 2.241 5.847 1.00 0.00 H new ATOM 0 HA LEU A 59 6.632 4.044 3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.060 5.626 5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.440 4.959 5.543 1.00 0.00 H new ATOM 0 HG LEU A 59 7.365 3.244 6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.527 4.745 8.964 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.328 5.462 7.545 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.719 6.037 8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.526 3.282 8.664 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.719 4.573 7.743 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.900 2.953 7.030 1.00 0.00 H new ATOM 891 N GLY A 60 9.127 3.884 3.620 1.00 0.00 N ATOM 892 CA GLY A 60 10.611 3.738 3.609 1.00 0.00 C ATOM 893 C GLY A 60 10.995 2.459 2.864 1.00 0.00 C ATOM 894 O GLY A 60 12.150 2.219 2.577 1.00 0.00 O ATOM 0 H GLY A 60 8.723 4.281 2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.068 4.603 3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.991 3.704 4.630 1.00 0.00 H new ATOM 898 N ASP A 61 10.034 1.635 2.546 1.00 0.00 N ATOM 899 CA ASP A 61 10.344 0.372 1.819 1.00 0.00 C ATOM 900 C ASP A 61 10.628 0.686 0.349 1.00 0.00 C ATOM 901 O ASP A 61 10.158 1.669 -0.188 1.00 0.00 O ATOM 902 CB ASP A 61 9.150 -0.580 1.916 1.00 0.00 C ATOM 903 CG ASP A 61 8.970 -1.026 3.368 1.00 0.00 C ATOM 904 OD1 ASP A 61 9.453 -0.331 4.245 1.00 0.00 O ATOM 905 OD2 ASP A 61 8.351 -2.057 3.576 1.00 0.00 O ATOM 0 H ASP A 61 9.047 1.782 2.758 1.00 0.00 H new ATOM 0 HA ASP A 61 11.220 -0.098 2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.246 -0.084 1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.310 -1.447 1.275 1.00 0.00 H new ATOM 910 N LYS A 62 11.395 -0.142 -0.307 1.00 0.00 N ATOM 911 CA LYS A 62 11.707 0.109 -1.742 1.00 0.00 C ATOM 912 C LYS A 62 10.800 -0.756 -2.620 1.00 0.00 C ATOM 913 O LYS A 62 10.799 -1.967 -2.526 1.00 0.00 O ATOM 914 CB LYS A 62 13.170 -0.245 -2.016 1.00 0.00 C ATOM 915 CG LYS A 62 14.068 0.908 -1.564 1.00 0.00 C ATOM 916 CD LYS A 62 15.449 0.763 -2.205 1.00 0.00 C ATOM 917 CE LYS A 62 16.514 1.314 -1.255 1.00 0.00 C ATOM 918 NZ LYS A 62 17.689 1.782 -2.043 1.00 0.00 N ATOM 0 H LYS A 62 11.819 -0.981 0.089 1.00 0.00 H new ATOM 0 HA LYS A 62 11.539 1.161 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.439 -1.159 -1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.315 -0.438 -3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.623 1.862 -1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.158 0.908 -0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.651 -0.285 -2.426 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.480 1.300 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.104 2.137 -0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.820 0.543 -0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.413 2.157 -1.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.085 0.986 -2.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.390 2.531 -2.700 1.00 0.00 H new ATOM 932 N LEU A 63 10.027 -0.143 -3.475 1.00 0.00 N ATOM 933 CA LEU A 63 9.121 -0.930 -4.357 1.00 0.00 C ATOM 934 C LEU A 63 9.720 -1.011 -5.762 1.00 0.00 C ATOM 935 O LEU A 63 9.542 -0.126 -6.576 1.00 0.00 O ATOM 936 CB LEU A 63 7.753 -0.246 -4.424 1.00 0.00 C ATOM 937 CG LEU A 63 7.375 0.277 -3.039 1.00 0.00 C ATOM 938 CD1 LEU A 63 6.012 0.966 -3.107 1.00 0.00 C ATOM 939 CD2 LEU A 63 7.305 -0.894 -2.055 1.00 0.00 C ATOM 0 H LEU A 63 9.984 0.868 -3.600 1.00 0.00 H new ATOM 0 HA LEU A 63 9.005 -1.936 -3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.780 0.576 -5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.999 -0.950 -4.776 1.00 0.00 H new ATOM 0 HG LEU A 63 8.126 0.992 -2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.743 1.339 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.060 1.799 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.260 0.252 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.035 -0.523 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.553 -1.608 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.276 -1.386 -2.005 1.00 0.00 H new ATOM 951 N LYS A 64 10.430 -2.066 -6.056 1.00 0.00 N ATOM 952 CA LYS A 64 11.039 -2.202 -7.409 1.00 0.00 C ATOM 953 C LYS A 64 10.016 -2.815 -8.367 1.00 0.00 C ATOM 954 O LYS A 64 9.295 -3.726 -8.019 1.00 0.00 O ATOM 955 CB LYS A 64 12.269 -3.111 -7.327 1.00 0.00 C ATOM 956 CG LYS A 64 13.019 -3.075 -8.660 1.00 0.00 C ATOM 957 CD LYS A 64 13.927 -4.301 -8.769 1.00 0.00 C ATOM 958 CE LYS A 64 13.072 -5.555 -8.959 1.00 0.00 C ATOM 959 NZ LYS A 64 13.927 -6.670 -9.456 1.00 0.00 N ATOM 0 H LYS A 64 10.615 -2.840 -5.417 1.00 0.00 H new ATOM 0 HA LYS A 64 11.338 -1.219 -7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.924 -2.783 -6.520 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.965 -4.132 -7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.310 -3.060 -9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.612 -2.163 -8.731 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.613 -4.185 -9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.536 -4.396 -7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.603 -5.835 -8.015 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.268 -5.356 -9.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.345 -7.522 -9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.354 -6.401 -10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.679 -6.865 -8.765 1.00 0.00 H new ATOM 973 N GLU A 65 9.946 -2.317 -9.572 1.00 0.00 N ATOM 974 CA GLU A 65 8.969 -2.865 -10.553 1.00 0.00 C ATOM 975 C GLU A 65 8.967 -4.394 -10.479 1.00 0.00 C ATOM 976 O GLU A 65 9.961 -5.012 -10.156 1.00 0.00 O ATOM 977 CB GLU A 65 9.364 -2.424 -11.964 1.00 0.00 C ATOM 978 CG GLU A 65 10.622 -3.177 -12.402 1.00 0.00 C ATOM 979 CD GLU A 65 11.141 -2.584 -13.713 1.00 0.00 C ATOM 980 OE1 GLU A 65 11.941 -1.664 -13.649 1.00 0.00 O ATOM 981 OE2 GLU A 65 10.731 -3.060 -14.758 1.00 0.00 O ATOM 0 H GLU A 65 10.525 -1.552 -9.919 1.00 0.00 H new ATOM 0 HA GLU A 65 7.972 -2.491 -10.318 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.549 -2.622 -12.660 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.546 -1.349 -11.983 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.388 -3.106 -11.630 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.398 -4.236 -12.533 1.00 0.00 H new ATOM 988 N GLY A 66 7.854 -5.009 -10.779 1.00 0.00 N ATOM 989 CA GLY A 66 7.787 -6.498 -10.729 1.00 0.00 C ATOM 990 C GLY A 66 7.302 -6.946 -9.349 1.00 0.00 C ATOM 991 O GLY A 66 6.728 -8.006 -9.197 1.00 0.00 O ATOM 0 H GLY A 66 6.989 -4.545 -11.056 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.111 -6.867 -11.500 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.769 -6.923 -10.936 1.00 0.00 H new ATOM 995 N ASP A 67 7.529 -6.148 -8.342 1.00 0.00 N ATOM 996 CA ASP A 67 7.082 -6.529 -6.973 1.00 0.00 C ATOM 997 C ASP A 67 5.622 -6.113 -6.779 1.00 0.00 C ATOM 998 O ASP A 67 5.178 -5.110 -7.300 1.00 0.00 O ATOM 999 CB ASP A 67 7.955 -5.822 -5.936 1.00 0.00 C ATOM 1000 CG ASP A 67 9.322 -6.507 -5.867 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.705 -7.120 -6.850 1.00 0.00 O ATOM 1002 OD2 ASP A 67 9.961 -6.409 -4.833 1.00 0.00 O ATOM 0 H ASP A 67 8.005 -5.248 -8.408 1.00 0.00 H new ATOM 0 HA ASP A 67 7.172 -7.608 -6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.076 -4.772 -6.202 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.473 -5.850 -4.959 1.00 0.00 H new ATOM 1007 N ALA A 68 4.872 -6.878 -6.033 1.00 0.00 N ATOM 1008 CA ALA A 68 3.442 -6.526 -5.806 1.00 0.00 C ATOM 1009 C ALA A 68 3.358 -5.173 -5.097 1.00 0.00 C ATOM 1010 O ALA A 68 4.353 -4.510 -4.882 1.00 0.00 O ATOM 1011 CB ALA A 68 2.784 -7.599 -4.937 1.00 0.00 C ATOM 0 H ALA A 68 5.188 -7.731 -5.571 1.00 0.00 H new ATOM 0 HA ALA A 68 2.925 -6.468 -6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.738 -7.342 -4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.845 -8.563 -5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.300 -7.658 -3.979 1.00 0.00 H new ATOM 1017 N ILE A 69 2.176 -4.756 -4.733 1.00 0.00 N ATOM 1018 CA ILE A 69 2.030 -3.446 -4.038 1.00 0.00 C ATOM 1019 C ILE A 69 0.872 -3.522 -3.041 1.00 0.00 C ATOM 1020 O ILE A 69 1.070 -3.523 -1.842 1.00 0.00 O ATOM 1021 CB ILE A 69 1.744 -2.353 -5.069 1.00 0.00 C ATOM 1022 CG1 ILE A 69 2.955 -2.196 -5.992 1.00 0.00 C ATOM 1023 CG2 ILE A 69 1.478 -1.029 -4.351 1.00 0.00 C ATOM 1024 CD1 ILE A 69 4.167 -1.751 -5.174 1.00 0.00 C ATOM 0 H ILE A 69 1.306 -5.266 -4.887 1.00 0.00 H new ATOM 0 HA ILE A 69 2.952 -3.213 -3.505 1.00 0.00 H new ATOM 0 HB ILE A 69 0.869 -2.629 -5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.168 -3.140 -6.493 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.740 -1.464 -6.770 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.274 -0.251 -5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.617 -1.139 -3.692 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.353 -0.752 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.029 -1.639 -5.832 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.951 -0.797 -4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.386 -2.499 -4.412 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.338 -3.587 -3.527 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.507 -3.662 -2.607 1.00 0.00 C ATOM 1038 C ILE A 70 -2.578 -4.568 -3.217 1.00 0.00 C ATOM 1039 O ILE A 70 -2.360 -5.211 -4.225 1.00 0.00 O ATOM 1040 CB ILE A 70 -2.083 -2.261 -2.399 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -2.163 -1.538 -3.745 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -1.181 -1.472 -1.450 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -3.585 -1.020 -3.965 1.00 0.00 C ATOM 0 H ILE A 70 -0.567 -3.591 -4.521 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.189 -4.070 -1.648 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.081 -2.340 -1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.456 -0.709 -3.767 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.883 -2.217 -4.551 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.593 -0.474 -1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.124 -1.986 -0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.182 -1.393 -1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.640 -0.505 -4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.282 -1.858 -3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.848 -0.327 -3.166 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.734 -4.625 -2.616 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.817 -5.490 -3.162 1.00 0.00 C ATOM 1057 C GLU A 71 -6.151 -4.745 -3.095 1.00 0.00 C ATOM 1058 O GLU A 71 -6.740 -4.600 -2.042 1.00 0.00 O ATOM 1059 CB GLU A 71 -4.909 -6.775 -2.335 1.00 0.00 C ATOM 1060 CG GLU A 71 -3.994 -7.840 -2.943 1.00 0.00 C ATOM 1061 CD GLU A 71 -4.427 -9.223 -2.454 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -4.346 -9.459 -1.260 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -4.830 -10.023 -3.282 1.00 0.00 O ATOM 0 H GLU A 71 -3.976 -4.110 -1.770 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.593 -5.739 -4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.619 -6.577 -1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.938 -7.134 -2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.040 -7.796 -4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.959 -7.650 -2.660 1.00 0.00 H new ATOM 1070 N LEU A 72 -6.635 -4.271 -4.211 1.00 0.00 N ATOM 1071 CA LEU A 72 -7.932 -3.538 -4.210 1.00 0.00 C ATOM 1072 C LEU A 72 -9.076 -4.525 -4.448 1.00 0.00 C ATOM 1073 O LEU A 72 -9.003 -5.378 -5.309 1.00 0.00 O ATOM 1074 CB LEU A 72 -7.925 -2.486 -5.323 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.339 -1.934 -5.511 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.331 -0.422 -5.280 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -9.814 -2.228 -6.935 1.00 0.00 C ATOM 0 H LEU A 72 -6.188 -4.360 -5.123 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.071 -3.047 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.238 -1.678 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.569 -2.928 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.012 -2.408 -4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.338 -0.028 -5.414 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.990 -0.211 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.658 0.052 -5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.822 -1.835 -7.071 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.140 -1.753 -7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.819 -3.305 -7.102 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.133 -4.415 -3.690 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.281 -5.348 -3.875 1.00 0.00 C ATOM 1091 C GLU A 73 -12.496 -4.568 -4.386 1.00 0.00 C ATOM 1092 O GLU A 73 -13.275 -4.057 -3.606 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.624 -6.007 -2.536 1.00 0.00 C ATOM 1094 CG GLU A 73 -12.749 -7.022 -2.740 1.00 0.00 C ATOM 1095 CD GLU A 73 -13.465 -7.266 -1.411 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -13.400 -6.395 -0.558 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -14.066 -8.318 -1.268 1.00 0.00 O ATOM 0 H GLU A 73 -10.251 -3.721 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.011 -6.116 -4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.743 -6.502 -2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.929 -5.250 -1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.456 -6.653 -3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.343 -7.958 -3.124 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.618 -4.502 -5.688 1.00 0.00 N ATOM 1105 CA PRO A 74 -13.728 -3.792 -6.347 1.00 0.00 C ATOM 1106 C PRO A 74 -15.003 -4.640 -6.308 1.00 0.00 C ATOM 1107 O PRO A 74 -16.097 -4.142 -6.490 1.00 0.00 O ATOM 1108 CB PRO A 74 -13.234 -3.611 -7.785 1.00 0.00 C ATOM 1109 CG PRO A 74 -12.157 -4.697 -8.016 1.00 0.00 C ATOM 1110 CD PRO A 74 -11.662 -5.130 -6.622 1.00 0.00 C ATOM 0 HA PRO A 74 -13.979 -2.846 -5.866 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.054 -3.720 -8.494 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.818 -2.614 -7.930 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.572 -5.545 -8.560 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.335 -4.306 -8.615 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.659 -6.215 -6.520 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.643 -4.790 -6.438 1.00 0.00 H new ATOM 1118 N ALA A 75 -14.871 -5.917 -6.075 1.00 0.00 N ATOM 1119 CA ALA A 75 -16.074 -6.795 -6.027 1.00 0.00 C ATOM 1120 C ALA A 75 -17.020 -6.302 -4.930 1.00 0.00 C ATOM 1121 O ALA A 75 -18.116 -5.851 -5.198 1.00 0.00 O ATOM 1122 CB ALA A 75 -15.646 -8.231 -5.724 1.00 0.00 C ATOM 0 H ALA A 75 -13.982 -6.390 -5.916 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.585 -6.765 -6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -16.526 -8.873 -5.689 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.971 -8.582 -6.505 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -15.135 -8.263 -4.762 1.00 0.00 H new ATOM 1128 N ALA A 76 -16.607 -6.387 -3.695 1.00 0.00 N ATOM 1129 CA ALA A 76 -17.483 -5.924 -2.583 1.00 0.00 C ATOM 1130 C ALA A 76 -18.725 -6.815 -2.508 1.00 0.00 C ATOM 1131 O ALA A 76 -18.797 -7.850 -3.139 1.00 0.00 O ATOM 1132 CB ALA A 76 -17.908 -4.477 -2.836 1.00 0.00 C ATOM 0 H ALA A 76 -15.701 -6.757 -3.408 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.936 -5.982 -1.642 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -18.549 -4.138 -2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -17.024 -3.842 -2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -18.455 -4.418 -3.777 1.00 0.00 H new ATOM 1138 N GLY A 77 -19.704 -6.421 -1.740 1.00 0.00 N ATOM 1139 CA GLY A 77 -20.940 -7.246 -1.626 1.00 0.00 C ATOM 1140 C GLY A 77 -20.878 -8.088 -0.350 1.00 0.00 C ATOM 1141 O GLY A 77 -21.587 -9.064 -0.205 1.00 0.00 O ATOM 0 H GLY A 77 -19.701 -5.564 -1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -21.819 -6.602 -1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -21.039 -7.894 -2.497 1.00 0.00 H new ATOM 1145 N ALA A 78 -20.035 -7.719 0.574 1.00 0.00 N ATOM 1146 CA ALA A 78 -19.928 -8.499 1.839 1.00 0.00 C ATOM 1147 C ALA A 78 -20.406 -7.639 3.010 1.00 0.00 C ATOM 1148 O ALA A 78 -21.482 -7.836 3.539 1.00 0.00 O ATOM 1149 CB ALA A 78 -18.470 -8.906 2.066 1.00 0.00 C ATOM 0 H ALA A 78 -19.416 -6.911 0.508 1.00 0.00 H new ATOM 0 HA ALA A 78 -20.548 -9.393 1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -18.391 -9.477 2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -18.129 -9.519 1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -17.850 -8.013 2.137 1.00 0.00 H new ATOM 1155 N ARG A 79 -19.614 -6.686 3.421 1.00 0.00 N ATOM 1156 CA ARG A 79 -20.024 -5.814 4.558 1.00 0.00 C ATOM 1157 C ARG A 79 -20.379 -6.685 5.765 1.00 0.00 C ATOM 1158 O ARG A 79 -20.198 -7.888 5.677 1.00 0.00 O ATOM 1159 CB ARG A 79 -21.243 -4.984 4.150 1.00 0.00 C ATOM 1160 CG ARG A 79 -20.810 -3.877 3.188 1.00 0.00 C ATOM 1161 CD ARG A 79 -22.004 -3.445 2.336 1.00 0.00 C ATOM 1162 NE ARG A 79 -21.692 -3.664 0.896 1.00 0.00 N ATOM 1163 CZ ARG A 79 -22.319 -4.590 0.225 1.00 0.00 C ATOM 1164 NH1 ARG A 79 -22.313 -5.824 0.654 1.00 0.00 N ATOM 1165 NH2 ARG A 79 -22.953 -4.286 -0.875 1.00 0.00 N ATOM 0 H ARG A 79 -18.701 -6.474 3.019 1.00 0.00 H new ATOM 0 HA ARG A 79 -19.203 -5.147 4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -21.988 -5.622 3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -21.712 -4.550 5.033 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -20.422 -3.026 3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -20.003 -4.232 2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -22.890 -4.014 2.618 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -22.230 -2.394 2.514 1.00 0.00 H new ATOM 0 HE ARG A 79 -20.987 -3.089 0.434 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -21.818 -6.063 1.513 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -22.803 -6.549 0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -22.958 -3.323 -1.211 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -23.443 -5.012 -1.398 1.00 0.00 H new TER 1179 ARG A 79