USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 639 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 80 SER OG : rot -150:sc= -1.61 USER MOD Set 1.2: A 87 SER OG : rot 73:sc= -0.244 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.469 X(o=-0.47,f=-0.01) USER MOD Single : A 28 THR OG1 : rot 38:sc= 0.0964 USER MOD Single : A 30 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.4) USER MOD Single : A 32 SER OG : rot 110:sc= -0.0398 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -5.14! C(o=-5.1!,f=-8.6!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0924 X(o=-0.092,f=-0.15) USER MOD Single : A 74 TYR OH : rot 150:sc= -0.906 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -2.31 K(o=-2.3,f=-0.83) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0362 USER MOD Single : A 98 THR OG1 : rot 42:sc= 0.329 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 9 6.023 -18.223 0.310 1.00 0.00 N ATOM 81 CA LEU A 9 6.059 -16.814 -0.067 1.00 0.00 C ATOM 82 C LEU A 9 5.411 -15.946 1.007 1.00 0.00 C ATOM 83 O LEU A 9 4.221 -15.636 0.955 1.00 0.00 O ATOM 84 CB LEU A 9 5.348 -16.605 -1.405 1.00 0.00 C ATOM 85 CG LEU A 9 5.459 -15.207 -2.014 1.00 0.00 C ATOM 86 CD1 LEU A 9 6.909 -14.879 -2.337 1.00 0.00 C ATOM 87 CD2 LEU A 9 4.595 -15.098 -3.262 1.00 0.00 C ATOM 0 HA LEU A 9 7.103 -16.517 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.746 -17.324 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.292 -16.839 -1.272 1.00 0.00 H new ATOM 0 HG LEU A 9 5.098 -14.484 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.968 -13.880 -2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.502 -14.915 -1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.297 -15.607 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.687 -14.096 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.925 -15.831 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.554 -15.288 -3.001 1.00 0.00 H new ATOM 99 N PRO A 10 6.212 -15.542 2.004 1.00 0.00 N ATOM 100 CA PRO A 10 5.739 -14.702 3.109 1.00 0.00 C ATOM 101 C PRO A 10 5.419 -13.281 2.659 1.00 0.00 C ATOM 102 O PRO A 10 6.305 -12.496 2.320 1.00 0.00 O ATOM 103 CB PRO A 10 6.919 -14.701 4.084 1.00 0.00 C ATOM 104 CG PRO A 10 8.113 -14.969 3.235 1.00 0.00 C ATOM 105 CD PRO A 10 7.641 -15.874 2.131 1.00 0.00 C ATOM 0 HA PRO A 10 4.812 -15.080 3.541 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.006 -13.744 4.599 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.799 -15.466 4.851 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.521 -14.042 2.832 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.906 -15.441 3.815 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.180 -15.689 1.202 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.789 -16.924 2.382 1.00 0.00 H new ATOM 113 N PRO A 11 4.122 -12.938 2.656 1.00 0.00 N ATOM 114 CA PRO A 11 3.655 -11.609 2.252 1.00 0.00 C ATOM 115 C PRO A 11 4.038 -10.529 3.258 1.00 0.00 C ATOM 116 O PRO A 11 4.506 -10.812 4.361 1.00 0.00 O ATOM 117 CB PRO A 11 2.134 -11.770 2.194 1.00 0.00 C ATOM 118 CG PRO A 11 1.835 -12.890 3.130 1.00 0.00 C ATOM 119 CD PRO A 11 3.011 -13.823 3.048 1.00 0.00 C ATOM 0 HA PRO A 11 4.100 -11.290 1.310 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.627 -10.854 2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.799 -11.999 1.183 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.698 -12.523 4.147 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.913 -13.399 2.848 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.204 -14.311 4.003 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.848 -14.612 2.314 1.00 0.00 H new ATOM 127 N PRO A 12 3.836 -9.261 2.871 1.00 0.00 N ATOM 128 CA PRO A 12 4.153 -8.113 3.725 1.00 0.00 C ATOM 129 C PRO A 12 3.212 -8.002 4.920 1.00 0.00 C ATOM 130 O PRO A 12 2.008 -7.802 4.757 1.00 0.00 O ATOM 131 CB PRO A 12 3.974 -6.914 2.790 1.00 0.00 C ATOM 132 CG PRO A 12 3.010 -7.382 1.755 1.00 0.00 C ATOM 133 CD PRO A 12 3.282 -8.850 1.570 1.00 0.00 C ATOM 0 HA PRO A 12 5.151 -8.189 4.156 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.589 -6.047 3.327 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.922 -6.616 2.342 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.982 -7.213 2.074 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.147 -6.839 0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.372 -9.400 1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.987 -9.029 0.758 1.00 0.00 H new ATOM 141 N ARG A 13 3.769 -8.132 6.120 1.00 0.00 N ATOM 142 CA ARG A 13 2.978 -8.046 7.342 1.00 0.00 C ATOM 143 C ARG A 13 3.373 -6.820 8.160 1.00 0.00 C ATOM 144 O ARG A 13 2.524 -6.168 8.767 1.00 0.00 O ATOM 145 CB ARG A 13 3.159 -9.313 8.181 1.00 0.00 C ATOM 146 CG ARG A 13 2.684 -9.165 9.617 1.00 0.00 C ATOM 147 CD ARG A 13 2.404 -10.517 10.253 1.00 0.00 C ATOM 148 NE ARG A 13 1.641 -10.392 11.492 1.00 0.00 N ATOM 149 CZ ARG A 13 0.972 -11.395 12.048 1.00 0.00 C ATOM 150 NH1 ARG A 13 0.972 -12.592 11.478 1.00 0.00 N ATOM 151 NH2 ARG A 13 0.301 -11.203 13.177 1.00 0.00 N ATOM 0 H ARG A 13 4.764 -8.297 6.272 1.00 0.00 H new ATOM 0 HA ARG A 13 1.929 -7.951 7.061 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.615 -10.132 7.710 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.213 -9.590 8.183 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.440 -8.638 10.199 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.780 -8.556 9.642 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.853 -11.141 9.550 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.347 -11.024 10.458 1.00 0.00 H new ATOM 0 HE ARG A 13 1.621 -9.484 11.956 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.487 -12.744 10.611 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.457 -13.361 11.907 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.299 -10.284 13.619 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.212 -11.975 13.603 1.00 0.00 H new ATOM 165 N ALA A 14 4.666 -6.514 8.172 1.00 0.00 N ATOM 166 CA ALA A 14 5.173 -5.366 8.914 1.00 0.00 C ATOM 167 C ALA A 14 4.858 -4.062 8.190 1.00 0.00 C ATOM 168 O ALA A 14 5.748 -3.250 7.937 1.00 0.00 O ATOM 169 CB ALA A 14 6.672 -5.501 9.135 1.00 0.00 C ATOM 0 H ALA A 14 5.382 -7.045 7.676 1.00 0.00 H new ATOM 0 HA ALA A 14 4.675 -5.342 9.883 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.037 -4.637 9.690 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.876 -6.409 9.702 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.179 -5.554 8.171 1.00 0.00 H new ATOM 175 N LEU A 15 3.586 -3.867 7.858 1.00 0.00 N ATOM 176 CA LEU A 15 3.153 -2.661 7.162 1.00 0.00 C ATOM 177 C LEU A 15 3.135 -1.463 8.107 1.00 0.00 C ATOM 178 O LEU A 15 2.407 -1.452 9.100 1.00 0.00 O ATOM 179 CB LEU A 15 1.763 -2.868 6.557 1.00 0.00 C ATOM 180 CG LEU A 15 1.718 -3.596 5.213 1.00 0.00 C ATOM 181 CD1 LEU A 15 1.995 -5.079 5.400 1.00 0.00 C ATOM 182 CD2 LEU A 15 0.372 -3.383 4.537 1.00 0.00 C ATOM 0 H LEU A 15 2.837 -4.529 8.060 1.00 0.00 H new ATOM 0 HA LEU A 15 3.865 -2.459 6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.158 -3.427 7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.293 -1.892 6.435 1.00 0.00 H new ATOM 0 HG LEU A 15 2.494 -3.181 4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.959 -5.581 4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.983 -5.212 5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.242 -5.509 6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.357 -3.908 3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.421 -3.770 5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.214 -2.318 4.368 1.00 0.00 H new ATOM 194 N THR A 16 3.941 -0.454 7.791 1.00 0.00 N ATOM 195 CA THR A 16 4.017 0.749 8.610 1.00 0.00 C ATOM 196 C THR A 16 3.972 2.005 7.748 1.00 0.00 C ATOM 197 O THR A 16 4.582 2.060 6.680 1.00 0.00 O ATOM 198 CB THR A 16 5.302 0.769 9.460 1.00 0.00 C ATOM 199 OG1 THR A 16 5.353 -0.391 10.298 1.00 0.00 O ATOM 200 CG2 THR A 16 5.364 2.024 10.317 1.00 0.00 C ATOM 0 H THR A 16 4.551 -0.446 6.973 1.00 0.00 H new ATOM 0 HA THR A 16 3.152 0.736 9.273 1.00 0.00 H new ATOM 0 HB THR A 16 6.158 0.767 8.785 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.173 -0.372 10.834 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.280 2.016 10.908 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.355 2.904 9.674 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.502 2.052 10.984 1.00 0.00 H new ATOM 208 N LEU A 17 3.246 3.013 8.218 1.00 0.00 N ATOM 209 CA LEU A 17 3.122 4.271 7.490 1.00 0.00 C ATOM 210 C LEU A 17 4.360 5.140 7.688 1.00 0.00 C ATOM 211 O LEU A 17 4.710 5.492 8.814 1.00 0.00 O ATOM 212 CB LEU A 17 1.875 5.029 7.950 1.00 0.00 C ATOM 213 CG LEU A 17 1.205 5.917 6.902 1.00 0.00 C ATOM 214 CD1 LEU A 17 -0.284 6.047 7.186 1.00 0.00 C ATOM 215 CD2 LEU A 17 1.864 7.288 6.864 1.00 0.00 C ATOM 0 H LEU A 17 2.734 2.984 9.100 1.00 0.00 H new ATOM 0 HA LEU A 17 3.029 4.040 6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.143 4.303 8.304 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.146 5.650 8.804 1.00 0.00 H new ATOM 0 HG LEU A 17 1.329 5.450 5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.744 6.683 6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.747 5.060 7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.429 6.491 8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.374 7.907 6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.772 7.763 7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.919 7.178 6.612 1.00 0.00 H new ATOM 227 N ALA A 18 5.018 5.483 6.586 1.00 0.00 N ATOM 228 CA ALA A 18 6.215 6.314 6.638 1.00 0.00 C ATOM 229 C ALA A 18 5.861 7.769 6.928 1.00 0.00 C ATOM 230 O ALA A 18 6.448 8.396 7.809 1.00 0.00 O ATOM 231 CB ALA A 18 6.988 6.208 5.332 1.00 0.00 C ATOM 0 H ALA A 18 4.743 5.198 5.646 1.00 0.00 H new ATOM 0 HA ALA A 18 6.844 5.951 7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.879 6.833 5.385 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.282 5.171 5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.358 6.543 4.508 1.00 0.00 H new ATOM 237 N ALA A 19 4.898 8.299 6.181 1.00 0.00 N ATOM 238 CA ALA A 19 4.466 9.680 6.360 1.00 0.00 C ATOM 239 C ALA A 19 3.026 9.868 5.896 1.00 0.00 C ATOM 240 O ALA A 19 2.627 9.355 4.851 1.00 0.00 O ATOM 241 CB ALA A 19 5.392 10.625 5.608 1.00 0.00 C ATOM 0 H ALA A 19 4.402 7.793 5.447 1.00 0.00 H new ATOM 0 HA ALA A 19 4.512 9.914 7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.057 11.652 5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.408 10.518 5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.375 10.382 4.546 1.00 0.00 H new ATOM 247 N VAL A 20 2.248 10.607 6.681 1.00 0.00 N ATOM 248 CA VAL A 20 0.851 10.864 6.351 1.00 0.00 C ATOM 249 C VAL A 20 0.659 12.289 5.845 1.00 0.00 C ATOM 250 O VAL A 20 0.697 13.246 6.620 1.00 0.00 O ATOM 251 CB VAL A 20 -0.065 10.635 7.567 1.00 0.00 C ATOM 252 CG1 VAL A 20 0.300 11.585 8.697 1.00 0.00 C ATOM 253 CG2 VAL A 20 -1.525 10.798 7.173 1.00 0.00 C ATOM 0 H VAL A 20 2.562 11.038 7.550 1.00 0.00 H new ATOM 0 HA VAL A 20 0.578 10.162 5.563 1.00 0.00 H new ATOM 0 HB VAL A 20 0.080 9.614 7.921 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.358 11.408 9.548 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.334 11.414 8.996 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.186 12.615 8.358 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.158 10.633 8.045 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.689 11.806 6.792 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.776 10.072 6.399 1.00 0.00 H new ATOM 263 N THR A 21 0.452 12.425 4.539 1.00 0.00 N ATOM 264 CA THR A 21 0.254 13.734 3.928 1.00 0.00 C ATOM 265 C THR A 21 -1.104 13.820 3.241 1.00 0.00 C ATOM 266 O THR A 21 -1.542 12.893 2.560 1.00 0.00 O ATOM 267 CB THR A 21 1.358 14.047 2.901 1.00 0.00 C ATOM 268 OG1 THR A 21 2.579 13.403 3.281 1.00 0.00 O ATOM 269 CG2 THR A 21 1.583 15.547 2.789 1.00 0.00 C ATOM 0 H THR A 21 0.417 11.644 3.884 1.00 0.00 H new ATOM 0 HA THR A 21 0.298 14.469 4.732 1.00 0.00 H new ATOM 0 HB THR A 21 1.037 13.670 1.930 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.275 13.606 2.622 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.367 15.744 2.058 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.660 16.031 2.470 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.884 15.943 3.759 1.00 0.00 H new ATOM 277 N PRO A 22 -1.788 14.960 3.421 1.00 0.00 N ATOM 278 CA PRO A 22 -3.106 15.195 2.825 1.00 0.00 C ATOM 279 C PRO A 22 -3.036 15.362 1.311 1.00 0.00 C ATOM 280 O PRO A 22 -4.044 15.636 0.660 1.00 0.00 O ATOM 281 CB PRO A 22 -3.568 16.496 3.485 1.00 0.00 C ATOM 282 CG PRO A 22 -2.308 17.192 3.873 1.00 0.00 C ATOM 283 CD PRO A 22 -1.326 16.107 4.221 1.00 0.00 C ATOM 0 HA PRO A 22 -3.782 14.355 2.988 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.159 17.101 2.797 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.195 16.298 4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.935 17.808 3.055 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.474 17.855 4.722 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.305 16.391 3.964 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.336 15.883 5.288 1.00 0.00 H new ATOM 291 N ARG A 23 -1.840 15.193 0.756 1.00 0.00 N ATOM 292 CA ARG A 23 -1.639 15.326 -0.681 1.00 0.00 C ATOM 293 C ARG A 23 -0.985 14.074 -1.257 1.00 0.00 C ATOM 294 O ARG A 23 -1.139 13.766 -2.439 1.00 0.00 O ATOM 295 CB ARG A 23 -0.776 16.552 -0.986 1.00 0.00 C ATOM 296 CG ARG A 23 0.211 16.892 0.119 1.00 0.00 C ATOM 297 CD ARG A 23 1.071 18.090 -0.251 1.00 0.00 C ATOM 298 NE ARG A 23 1.795 17.878 -1.502 1.00 0.00 N ATOM 299 CZ ARG A 23 2.933 17.198 -1.586 1.00 0.00 C ATOM 300 NH1 ARG A 23 3.474 16.666 -0.498 1.00 0.00 N ATOM 301 NH2 ARG A 23 3.533 17.048 -2.760 1.00 0.00 N ATOM 0 H ARG A 23 -0.996 14.964 1.280 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.615 15.452 -1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.227 16.378 -1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.426 17.410 -1.158 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.332 17.103 1.041 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.850 16.031 0.315 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.441 18.975 -0.342 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.783 18.287 0.551 1.00 0.00 H new ATOM 0 HE ARG A 23 1.405 18.274 -2.358 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.016 16.778 0.406 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.348 16.144 -0.566 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.120 17.455 -3.599 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.407 16.526 -2.823 1.00 0.00 H new ATOM 315 N THR A 24 -0.252 13.354 -0.413 1.00 0.00 N ATOM 316 CA THR A 24 0.427 12.136 -0.837 1.00 0.00 C ATOM 317 C THR A 24 0.499 11.122 0.299 1.00 0.00 C ATOM 318 O THR A 24 0.544 11.492 1.473 1.00 0.00 O ATOM 319 CB THR A 24 1.854 12.433 -1.335 1.00 0.00 C ATOM 320 OG1 THR A 24 2.643 12.970 -0.269 1.00 0.00 O ATOM 321 CG2 THR A 24 1.827 13.414 -2.498 1.00 0.00 C ATOM 0 H THR A 24 -0.114 13.594 0.569 1.00 0.00 H new ATOM 0 HA THR A 24 -0.157 11.718 -1.657 1.00 0.00 H new ATOM 0 HB THR A 24 2.298 11.499 -1.679 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.549 13.154 -0.593 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.846 13.609 -2.833 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.250 12.989 -3.319 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.366 14.348 -2.176 1.00 0.00 H new ATOM 329 N VAL A 25 0.510 9.841 -0.056 1.00 0.00 N ATOM 330 CA VAL A 25 0.578 8.774 0.934 1.00 0.00 C ATOM 331 C VAL A 25 1.813 7.905 0.721 1.00 0.00 C ATOM 332 O VAL A 25 1.996 7.318 -0.347 1.00 0.00 O ATOM 333 CB VAL A 25 -0.677 7.883 0.887 1.00 0.00 C ATOM 334 CG1 VAL A 25 -0.477 6.633 1.730 1.00 0.00 C ATOM 335 CG2 VAL A 25 -1.899 8.660 1.352 1.00 0.00 C ATOM 0 H VAL A 25 0.473 9.517 -1.023 1.00 0.00 H new ATOM 0 HA VAL A 25 0.638 9.253 1.911 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.843 7.573 -0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.374 6.016 1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.372 6.067 1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.285 6.919 2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.777 8.015 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.745 9.001 2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.052 9.521 0.702 1.00 0.00 H new ATOM 345 N HIS A 26 2.658 7.825 1.744 1.00 0.00 N ATOM 346 CA HIS A 26 3.876 7.026 1.669 1.00 0.00 C ATOM 347 C HIS A 26 3.780 5.803 2.577 1.00 0.00 C ATOM 348 O HIS A 26 3.662 5.930 3.796 1.00 0.00 O ATOM 349 CB HIS A 26 5.090 7.871 2.059 1.00 0.00 C ATOM 350 CG HIS A 26 6.395 7.278 1.626 1.00 0.00 C ATOM 351 ND1 HIS A 26 7.555 8.014 1.512 1.00 0.00 N ATOM 352 CD2 HIS A 26 6.721 6.010 1.280 1.00 0.00 C ATOM 353 CE1 HIS A 26 8.537 7.226 1.113 1.00 0.00 C ATOM 354 NE2 HIS A 26 8.057 6.004 0.966 1.00 0.00 N ATOM 0 H HIS A 26 2.522 8.304 2.634 1.00 0.00 H new ATOM 0 HA HIS A 26 3.995 6.685 0.641 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.988 8.864 1.620 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.100 8.000 3.141 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.054 5.161 1.256 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.559 7.529 0.937 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.592 5.189 0.668 1.00 0.00 H new ATOM 363 N LEU A 27 3.830 4.620 1.975 1.00 0.00 N ATOM 364 CA LEU A 27 3.747 3.374 2.728 1.00 0.00 C ATOM 365 C LEU A 27 5.017 2.547 2.553 1.00 0.00 C ATOM 366 O LEU A 27 5.726 2.681 1.555 1.00 0.00 O ATOM 367 CB LEU A 27 2.531 2.563 2.280 1.00 0.00 C ATOM 368 CG LEU A 27 2.059 1.472 3.242 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.450 2.089 4.491 1.00 0.00 C ATOM 370 CD2 LEU A 27 1.059 0.553 2.557 1.00 0.00 C ATOM 0 H LEU A 27 3.928 4.498 0.967 1.00 0.00 H new ATOM 0 HA LEU A 27 3.640 3.623 3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.703 3.251 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.762 2.099 1.321 1.00 0.00 H new ATOM 0 HG LEU A 27 2.923 0.878 3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.120 1.298 5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.196 2.705 4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.597 2.708 4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.734 -0.217 3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.196 1.133 2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.529 0.083 1.693 1.00 0.00 H new ATOM 382 N THR A 28 5.298 1.689 3.528 1.00 0.00 N ATOM 383 CA THR A 28 6.481 0.839 3.482 1.00 0.00 C ATOM 384 C THR A 28 6.266 -0.447 4.272 1.00 0.00 C ATOM 385 O THR A 28 5.808 -0.415 5.414 1.00 0.00 O ATOM 386 CB THR A 28 7.719 1.568 4.036 1.00 0.00 C ATOM 387 OG1 THR A 28 7.500 1.936 5.403 1.00 0.00 O ATOM 388 CG2 THR A 28 8.029 2.810 3.214 1.00 0.00 C ATOM 0 H THR A 28 4.722 1.564 4.360 1.00 0.00 H new ATOM 0 HA THR A 28 6.652 0.593 2.434 1.00 0.00 H new ATOM 0 HB THR A 28 8.570 0.890 3.975 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.009 1.221 5.859 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.907 3.308 3.624 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.224 2.523 2.181 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.178 3.490 3.247 1.00 0.00 H new ATOM 396 N TRP A 29 6.599 -1.576 3.658 1.00 0.00 N ATOM 397 CA TRP A 29 6.443 -2.873 4.306 1.00 0.00 C ATOM 398 C TRP A 29 7.737 -3.676 4.236 1.00 0.00 C ATOM 399 O TRP A 29 8.737 -3.211 3.690 1.00 0.00 O ATOM 400 CB TRP A 29 5.305 -3.659 3.653 1.00 0.00 C ATOM 401 CG TRP A 29 5.444 -3.779 2.165 1.00 0.00 C ATOM 402 CD1 TRP A 29 6.154 -4.725 1.482 1.00 0.00 C ATOM 403 CD2 TRP A 29 4.859 -2.923 1.178 1.00 0.00 C ATOM 404 NE1 TRP A 29 6.046 -4.508 0.130 1.00 0.00 N ATOM 405 CE2 TRP A 29 5.256 -3.410 -0.083 1.00 0.00 C ATOM 406 CE3 TRP A 29 4.037 -1.795 1.236 1.00 0.00 C ATOM 407 CZ2 TRP A 29 4.859 -2.804 -1.273 1.00 0.00 C ATOM 408 CZ3 TRP A 29 3.644 -1.195 0.054 1.00 0.00 C ATOM 409 CH2 TRP A 29 4.055 -1.701 -1.186 1.00 0.00 C ATOM 0 H TRP A 29 6.979 -1.620 2.712 1.00 0.00 H new ATOM 0 HA TRP A 29 6.201 -2.700 5.355 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.266 -4.657 4.089 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.357 -3.173 3.884 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.717 -5.526 1.938 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.483 -5.073 -0.598 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.714 -1.399 2.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.175 -3.191 -2.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 3.010 -0.322 0.087 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.730 -1.210 -2.092 1.00 0.00 H new ATOM 420 N GLN A 30 7.710 -4.883 4.792 1.00 0.00 N ATOM 421 CA GLN A 30 8.883 -5.750 4.792 1.00 0.00 C ATOM 422 C GLN A 30 8.965 -6.555 3.500 1.00 0.00 C ATOM 423 O GLN A 30 8.026 -7.252 3.113 1.00 0.00 O ATOM 424 CB GLN A 30 8.845 -6.695 5.994 1.00 0.00 C ATOM 425 CG GLN A 30 9.537 -6.138 7.228 1.00 0.00 C ATOM 426 CD GLN A 30 9.497 -7.096 8.402 1.00 0.00 C ATOM 427 OE1 GLN A 30 8.553 -7.871 8.554 1.00 0.00 O ATOM 428 NE2 GLN A 30 10.526 -7.048 9.241 1.00 0.00 N ATOM 0 H GLN A 30 6.890 -5.283 5.248 1.00 0.00 H new ATOM 0 HA GLN A 30 9.769 -5.119 4.862 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.806 -6.916 6.239 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.316 -7.639 5.719 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.575 -5.909 6.986 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.062 -5.199 7.514 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.288 -6.390 9.077 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.554 -7.669 10.049 1.00 0.00 H new ATOM 437 N PRO A 31 10.113 -6.459 2.814 1.00 0.00 N ATOM 438 CA PRO A 31 10.345 -7.172 1.554 1.00 0.00 C ATOM 439 C PRO A 31 10.478 -8.678 1.756 1.00 0.00 C ATOM 440 O PRO A 31 11.215 -9.134 2.631 1.00 0.00 O ATOM 441 CB PRO A 31 11.664 -6.582 1.049 1.00 0.00 C ATOM 442 CG PRO A 31 12.358 -6.102 2.277 1.00 0.00 C ATOM 443 CD PRO A 31 11.274 -5.647 3.215 1.00 0.00 C ATOM 0 HA PRO A 31 9.514 -7.051 0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.258 -7.331 0.525 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.490 -5.766 0.348 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.953 -6.898 2.725 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.041 -5.285 2.045 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.545 -5.820 4.256 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.074 -4.581 3.111 1.00 0.00 H new ATOM 451 N SER A 32 9.761 -9.446 0.942 1.00 0.00 N ATOM 452 CA SER A 32 9.796 -10.900 1.034 1.00 0.00 C ATOM 453 C SER A 32 11.101 -11.449 0.464 1.00 0.00 C ATOM 454 O SER A 32 11.795 -10.770 -0.292 1.00 0.00 O ATOM 455 CB SER A 32 8.606 -11.509 0.290 1.00 0.00 C ATOM 456 OG SER A 32 8.656 -12.925 0.320 1.00 0.00 O ATOM 0 H SER A 32 9.148 -9.085 0.211 1.00 0.00 H new ATOM 0 HA SER A 32 9.735 -11.174 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.676 -11.165 0.742 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.604 -11.164 -0.744 1.00 0.00 H new ATOM 0 HG SER A 32 7.938 -13.266 0.894 1.00 0.00 H new ATOM 462 N ALA A 33 11.427 -12.683 0.833 1.00 0.00 N ATOM 463 CA ALA A 33 12.647 -13.325 0.358 1.00 0.00 C ATOM 464 C ALA A 33 12.366 -14.208 -0.853 1.00 0.00 C ATOM 465 O ALA A 33 12.521 -15.427 -0.794 1.00 0.00 O ATOM 466 CB ALA A 33 13.283 -14.142 1.473 1.00 0.00 C ATOM 0 H ALA A 33 10.864 -13.258 1.459 1.00 0.00 H new ATOM 0 HA ALA A 33 13.344 -12.544 0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.193 -14.615 1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.528 -13.487 2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.584 -14.909 1.806 1.00 0.00 H new ATOM 472 N GLY A 34 11.952 -13.585 -1.952 1.00 0.00 N ATOM 473 CA GLY A 34 11.655 -14.330 -3.161 1.00 0.00 C ATOM 474 C GLY A 34 10.861 -13.517 -4.164 1.00 0.00 C ATOM 475 O GLY A 34 11.181 -13.500 -5.352 1.00 0.00 O ATOM 0 H GLY A 34 11.817 -12.577 -2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.588 -14.657 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.095 -15.228 -2.902 1.00 0.00 H new ATOM 479 N ALA A 35 9.822 -12.841 -3.685 1.00 0.00 N ATOM 480 CA ALA A 35 8.980 -12.022 -4.547 1.00 0.00 C ATOM 481 C ALA A 35 9.819 -11.057 -5.377 1.00 0.00 C ATOM 482 O ALA A 35 10.539 -10.218 -4.835 1.00 0.00 O ATOM 483 CB ALA A 35 7.959 -11.257 -3.717 1.00 0.00 C ATOM 0 H ALA A 35 9.543 -12.845 -2.704 1.00 0.00 H new ATOM 0 HA ALA A 35 8.451 -12.685 -5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.337 -10.650 -4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.331 -11.962 -3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.477 -10.611 -3.008 1.00 0.00 H new ATOM 489 N THR A 36 9.722 -11.180 -6.698 1.00 0.00 N ATOM 490 CA THR A 36 10.474 -10.320 -7.603 1.00 0.00 C ATOM 491 C THR A 36 9.835 -8.940 -7.708 1.00 0.00 C ATOM 492 O THR A 36 10.522 -7.941 -7.923 1.00 0.00 O ATOM 493 CB THR A 36 10.572 -10.936 -9.011 1.00 0.00 C ATOM 494 OG1 THR A 36 10.777 -9.905 -9.984 1.00 0.00 O ATOM 495 CG2 THR A 36 9.310 -11.716 -9.350 1.00 0.00 C ATOM 0 H THR A 36 9.130 -11.867 -7.164 1.00 0.00 H new ATOM 0 HA THR A 36 11.476 -10.222 -7.186 1.00 0.00 H new ATOM 0 HB THR A 36 11.419 -11.622 -9.025 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.840 -10.305 -10.876 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.403 -12.142 -10.349 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.172 -12.518 -8.625 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.450 -11.047 -9.319 1.00 0.00 H new ATOM 503 N HIS A 37 8.515 -8.891 -7.553 1.00 0.00 N ATOM 504 CA HIS A 37 7.784 -7.631 -7.629 1.00 0.00 C ATOM 505 C HIS A 37 6.532 -7.677 -6.758 1.00 0.00 C ATOM 506 O HIS A 37 5.962 -8.744 -6.528 1.00 0.00 O ATOM 507 CB HIS A 37 7.400 -7.327 -9.077 1.00 0.00 C ATOM 508 CG HIS A 37 6.453 -8.326 -9.669 1.00 0.00 C ATOM 509 ND1 HIS A 37 6.863 -9.534 -10.192 1.00 0.00 N ATOM 510 CD2 HIS A 37 5.108 -8.291 -9.817 1.00 0.00 C ATOM 511 CE1 HIS A 37 5.812 -10.198 -10.637 1.00 0.00 C ATOM 512 NE2 HIS A 37 4.734 -9.466 -10.421 1.00 0.00 N ATOM 0 H HIS A 37 7.931 -9.708 -7.374 1.00 0.00 H new ATOM 0 HA HIS A 37 8.435 -6.838 -7.259 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.946 -6.337 -9.124 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.304 -7.292 -9.684 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.451 -7.488 -9.516 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.831 -11.174 -11.099 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.779 -9.731 -10.663 1.00 0.00 H new ATOM 521 N TYR A 38 6.111 -6.513 -6.274 1.00 0.00 N ATOM 522 CA TYR A 38 4.929 -6.421 -5.426 1.00 0.00 C ATOM 523 C TYR A 38 3.807 -5.669 -6.134 1.00 0.00 C ATOM 524 O TYR A 38 4.051 -4.705 -6.861 1.00 0.00 O ATOM 525 CB TYR A 38 5.274 -5.722 -4.109 1.00 0.00 C ATOM 526 CG TYR A 38 6.615 -6.129 -3.542 1.00 0.00 C ATOM 527 CD1 TYR A 38 6.748 -7.284 -2.780 1.00 0.00 C ATOM 528 CD2 TYR A 38 7.749 -5.358 -3.765 1.00 0.00 C ATOM 529 CE1 TYR A 38 7.971 -7.659 -2.259 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.977 -5.726 -3.249 1.00 0.00 C ATOM 531 CZ TYR A 38 9.083 -6.877 -2.496 1.00 0.00 C ATOM 532 OH TYR A 38 10.303 -7.246 -1.979 1.00 0.00 O ATOM 0 H TYR A 38 6.571 -5.621 -6.455 1.00 0.00 H new ATOM 0 HA TYR A 38 4.586 -7.434 -5.214 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.268 -4.644 -4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.497 -5.941 -3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.880 -7.899 -2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.669 -4.455 -4.352 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.057 -8.560 -1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.849 -5.116 -3.434 1.00 0.00 H new ATOM 0 HH TYR A 38 10.981 -6.588 -2.239 1.00 0.00 H new ATOM 542 N LEU A 39 2.575 -6.117 -5.918 1.00 0.00 N ATOM 543 CA LEU A 39 1.412 -5.488 -6.534 1.00 0.00 C ATOM 544 C LEU A 39 0.720 -4.546 -5.555 1.00 0.00 C ATOM 545 O LEU A 39 0.277 -4.962 -4.484 1.00 0.00 O ATOM 546 CB LEU A 39 0.427 -6.553 -7.018 1.00 0.00 C ATOM 547 CG LEU A 39 -0.665 -6.073 -7.974 1.00 0.00 C ATOM 548 CD1 LEU A 39 -1.576 -5.070 -7.283 1.00 0.00 C ATOM 549 CD2 LEU A 39 -0.049 -5.464 -9.225 1.00 0.00 C ATOM 0 H LEU A 39 2.356 -6.914 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 39 1.756 -4.905 -7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.992 -7.344 -7.511 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.052 -6.999 -6.146 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.265 -6.933 -8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.347 -4.739 -7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.045 -5.540 -6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.990 -4.211 -6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.841 -5.128 -9.894 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.576 -4.615 -8.947 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.561 -6.212 -9.732 1.00 0.00 H new ATOM 561 N VAL A 40 0.628 -3.274 -5.929 1.00 0.00 N ATOM 562 CA VAL A 40 -0.014 -2.273 -5.086 1.00 0.00 C ATOM 563 C VAL A 40 -1.380 -1.883 -5.638 1.00 0.00 C ATOM 564 O VAL A 40 -1.478 -1.123 -6.602 1.00 0.00 O ATOM 565 CB VAL A 40 0.855 -1.007 -4.956 1.00 0.00 C ATOM 566 CG1 VAL A 40 0.038 0.146 -4.393 1.00 0.00 C ATOM 567 CG2 VAL A 40 2.072 -1.284 -4.086 1.00 0.00 C ATOM 0 H VAL A 40 0.990 -2.912 -6.811 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.138 -2.723 -4.101 1.00 0.00 H new ATOM 0 HB VAL A 40 1.204 -0.723 -5.949 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.668 1.031 -4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.798 0.358 -5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.342 -0.124 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.675 -0.379 -4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.746 -1.594 -3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.668 -2.078 -4.536 1.00 0.00 H new ATOM 577 N ARG A 41 -2.434 -2.408 -5.021 1.00 0.00 N ATOM 578 CA ARG A 41 -3.796 -2.115 -5.451 1.00 0.00 C ATOM 579 C ARG A 41 -4.378 -0.949 -4.658 1.00 0.00 C ATOM 580 O ARG A 41 -4.575 -1.047 -3.446 1.00 0.00 O ATOM 581 CB ARG A 41 -4.682 -3.351 -5.287 1.00 0.00 C ATOM 582 CG ARG A 41 -5.794 -3.445 -6.319 1.00 0.00 C ATOM 583 CD ARG A 41 -6.620 -4.709 -6.134 1.00 0.00 C ATOM 584 NE ARG A 41 -7.711 -4.515 -5.183 1.00 0.00 N ATOM 585 CZ ARG A 41 -8.808 -5.264 -5.161 1.00 0.00 C ATOM 586 NH1 ARG A 41 -8.959 -6.251 -6.033 1.00 0.00 N ATOM 587 NH2 ARG A 41 -9.757 -5.026 -4.264 1.00 0.00 N ATOM 0 H ARG A 41 -2.371 -3.038 -4.222 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.766 -1.836 -6.504 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.061 -4.244 -5.353 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.123 -3.342 -4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.441 -2.571 -6.239 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.364 -3.433 -7.321 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.028 -5.019 -7.096 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.975 -5.516 -5.786 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.626 -3.764 -4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.232 -6.437 -6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.802 -6.824 -6.013 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.644 -4.268 -3.591 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.599 -5.601 -4.248 1.00 0.00 H new ATOM 601 N CYS A 42 -4.650 0.152 -5.348 1.00 0.00 N ATOM 602 CA CYS A 42 -5.209 1.338 -4.708 1.00 0.00 C ATOM 603 C CYS A 42 -6.732 1.328 -4.780 1.00 0.00 C ATOM 604 O CYS A 42 -7.315 1.527 -5.845 1.00 0.00 O ATOM 605 CB CYS A 42 -4.664 2.605 -5.369 1.00 0.00 C ATOM 606 SG CYS A 42 -5.383 4.137 -4.734 1.00 0.00 S ATOM 0 H CYS A 42 -4.493 0.249 -6.351 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.913 1.328 -3.659 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.583 2.638 -5.230 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.845 2.549 -6.442 1.00 0.00 H new ATOM 0 HG CYS A 42 -4.858 5.152 -5.353 1.00 0.00 H new ATOM 612 N SER A 43 -7.371 1.092 -3.638 1.00 0.00 N ATOM 613 CA SER A 43 -8.827 1.050 -3.572 1.00 0.00 C ATOM 614 C SER A 43 -9.334 1.733 -2.305 1.00 0.00 C ATOM 615 O SER A 43 -8.721 1.656 -1.240 1.00 0.00 O ATOM 616 CB SER A 43 -9.320 -0.398 -3.616 1.00 0.00 C ATOM 617 OG SER A 43 -9.074 -0.982 -4.883 1.00 0.00 O ATOM 0 H SER A 43 -6.903 0.927 -2.747 1.00 0.00 H new ATOM 0 HA SER A 43 -9.220 1.587 -4.436 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.820 -0.979 -2.841 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.388 -0.429 -3.399 1.00 0.00 H new ATOM 0 HG SER A 43 -9.397 -1.907 -4.885 1.00 0.00 H new ATOM 623 N PRO A 44 -10.480 2.420 -2.422 1.00 0.00 N ATOM 624 CA PRO A 44 -11.096 3.130 -1.297 1.00 0.00 C ATOM 625 C PRO A 44 -11.659 2.177 -0.248 1.00 0.00 C ATOM 626 O PRO A 44 -12.034 1.047 -0.560 1.00 0.00 O ATOM 627 CB PRO A 44 -12.224 3.927 -1.956 1.00 0.00 C ATOM 628 CG PRO A 44 -12.556 3.164 -3.191 1.00 0.00 C ATOM 629 CD PRO A 44 -11.264 2.555 -3.661 1.00 0.00 C ATOM 0 HA PRO A 44 -10.375 3.748 -0.761 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.088 4.009 -1.297 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.906 4.943 -2.192 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.299 2.393 -2.986 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.979 3.819 -3.953 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.426 1.590 -4.141 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.760 3.192 -4.388 1.00 0.00 H new ATOM 637 N ALA A 45 -11.716 2.640 0.996 1.00 0.00 N ATOM 638 CA ALA A 45 -12.235 1.830 2.090 1.00 0.00 C ATOM 639 C ALA A 45 -13.745 1.650 1.971 1.00 0.00 C ATOM 640 O ALA A 45 -14.268 0.555 2.181 1.00 0.00 O ATOM 641 CB ALA A 45 -11.881 2.460 3.429 1.00 0.00 C ATOM 0 H ALA A 45 -11.409 3.573 1.271 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.772 0.845 2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.275 1.844 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.797 2.531 3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.316 3.458 3.488 1.00 0.00 H new ATOM 761 N ARG A 54 -7.828 0.897 -8.478 1.00 0.00 N ATOM 762 CA ARG A 54 -6.621 1.017 -9.287 1.00 0.00 C ATOM 763 C ARG A 54 -5.546 0.046 -8.806 1.00 0.00 C ATOM 764 O ARG A 54 -5.545 -0.369 -7.648 1.00 0.00 O ATOM 765 CB ARG A 54 -6.089 2.450 -9.238 1.00 0.00 C ATOM 766 CG ARG A 54 -4.894 2.687 -10.147 1.00 0.00 C ATOM 767 CD ARG A 54 -5.289 2.629 -11.614 1.00 0.00 C ATOM 768 NE ARG A 54 -6.191 3.717 -11.981 1.00 0.00 N ATOM 769 CZ ARG A 54 -7.033 3.659 -13.007 1.00 0.00 C ATOM 770 NH1 ARG A 54 -7.089 2.571 -13.763 1.00 0.00 N ATOM 771 NH2 ARG A 54 -7.823 4.690 -13.278 1.00 0.00 N ATOM 0 HA ARG A 54 -6.877 0.768 -10.317 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.889 3.135 -9.518 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.808 2.689 -8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.455 3.660 -9.926 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.128 1.938 -9.946 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.393 2.677 -12.233 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.770 1.673 -11.822 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.174 4.568 -11.419 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.485 1.776 -13.557 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.737 2.530 -14.550 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.784 5.528 -12.698 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.469 4.644 -14.066 1.00 0.00 H new ATOM 785 N GLU A 55 -4.633 -0.310 -9.705 1.00 0.00 N ATOM 786 CA GLU A 55 -3.554 -1.232 -9.372 1.00 0.00 C ATOM 787 C GLU A 55 -2.280 -0.877 -10.134 1.00 0.00 C ATOM 788 O GLU A 55 -2.328 -0.508 -11.307 1.00 0.00 O ATOM 789 CB GLU A 55 -3.967 -2.671 -9.689 1.00 0.00 C ATOM 790 CG GLU A 55 -3.966 -2.991 -11.174 1.00 0.00 C ATOM 791 CD GLU A 55 -5.213 -2.493 -11.879 1.00 0.00 C ATOM 792 OE1 GLU A 55 -5.244 -1.305 -12.261 1.00 0.00 O ATOM 793 OE2 GLU A 55 -6.157 -3.292 -12.048 1.00 0.00 O ATOM 0 H GLU A 55 -4.619 0.026 -10.668 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.354 -1.146 -8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.290 -3.355 -9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.964 -2.851 -9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.087 -2.543 -11.638 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.883 -4.069 -11.309 1.00 0.00 H new ATOM 800 N VAL A 56 -1.142 -0.990 -9.457 1.00 0.00 N ATOM 801 CA VAL A 56 0.145 -0.682 -10.069 1.00 0.00 C ATOM 802 C VAL A 56 1.241 -1.597 -9.534 1.00 0.00 C ATOM 803 O VAL A 56 1.044 -2.305 -8.547 1.00 0.00 O ATOM 804 CB VAL A 56 0.548 0.784 -9.821 1.00 0.00 C ATOM 805 CG1 VAL A 56 -0.333 1.724 -10.629 1.00 0.00 C ATOM 806 CG2 VAL A 56 0.473 1.112 -8.337 1.00 0.00 C ATOM 0 H VAL A 56 -1.085 -1.293 -8.485 1.00 0.00 H new ATOM 0 HA VAL A 56 0.033 -0.843 -11.141 1.00 0.00 H new ATOM 0 HB VAL A 56 1.579 0.921 -10.149 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.033 2.755 -10.441 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.224 1.502 -11.691 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.374 1.589 -10.335 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.761 2.151 -8.179 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.546 0.960 -7.982 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.151 0.460 -7.786 1.00 0.00 H new ATOM 816 N GLN A 57 2.396 -1.575 -10.192 1.00 0.00 N ATOM 817 CA GLN A 57 3.524 -2.403 -9.782 1.00 0.00 C ATOM 818 C GLN A 57 4.742 -1.544 -9.460 1.00 0.00 C ATOM 819 O GLN A 57 5.149 -0.702 -10.261 1.00 0.00 O ATOM 820 CB GLN A 57 3.870 -3.410 -10.880 1.00 0.00 C ATOM 821 CG GLN A 57 3.100 -4.716 -10.773 1.00 0.00 C ATOM 822 CD GLN A 57 3.107 -5.505 -12.068 1.00 0.00 C ATOM 823 OE1 GLN A 57 4.079 -5.471 -12.823 1.00 0.00 O ATOM 824 NE2 GLN A 57 2.021 -6.222 -12.331 1.00 0.00 N ATOM 0 H GLN A 57 2.575 -0.993 -11.011 1.00 0.00 H new ATOM 0 HA GLN A 57 3.236 -2.944 -8.881 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.670 -2.958 -11.852 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.938 -3.624 -10.842 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.533 -5.324 -9.979 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.070 -4.504 -10.487 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.238 -6.221 -11.677 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.969 -6.774 -13.187 1.00 0.00 H new ATOM 833 N VAL A 58 5.320 -1.761 -8.283 1.00 0.00 N ATOM 834 CA VAL A 58 6.492 -1.007 -7.856 1.00 0.00 C ATOM 835 C VAL A 58 7.677 -1.931 -7.600 1.00 0.00 C ATOM 836 O VAL A 58 7.518 -3.026 -7.061 1.00 0.00 O ATOM 837 CB VAL A 58 6.203 -0.195 -6.580 1.00 0.00 C ATOM 838 CG1 VAL A 58 5.014 0.730 -6.793 1.00 0.00 C ATOM 839 CG2 VAL A 58 5.960 -1.125 -5.401 1.00 0.00 C ATOM 0 H VAL A 58 4.995 -2.453 -7.608 1.00 0.00 H new ATOM 0 HA VAL A 58 6.739 -0.321 -8.666 1.00 0.00 H new ATOM 0 HB VAL A 58 7.075 0.419 -6.356 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.825 1.296 -5.881 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.231 1.419 -7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.133 0.139 -7.042 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.757 -0.534 -4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.105 -1.766 -5.614 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.844 -1.741 -5.236 1.00 0.00 H new ATOM 849 N GLY A 59 8.866 -1.482 -7.989 1.00 0.00 N ATOM 850 CA GLY A 59 10.062 -2.281 -7.792 1.00 0.00 C ATOM 851 C GLY A 59 10.628 -2.143 -6.393 1.00 0.00 C ATOM 852 O GLY A 59 11.845 -2.117 -6.208 1.00 0.00 O ATOM 0 H GLY A 59 9.023 -0.579 -8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.831 -3.329 -7.985 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.818 -1.982 -8.518 1.00 0.00 H new ATOM 856 N ARG A 60 9.743 -2.052 -5.405 1.00 0.00 N ATOM 857 CA ARG A 60 10.162 -1.913 -4.015 1.00 0.00 C ATOM 858 C ARG A 60 8.969 -2.038 -3.073 1.00 0.00 C ATOM 859 O ARG A 60 7.824 -1.778 -3.444 1.00 0.00 O ATOM 860 CB ARG A 60 10.855 -0.566 -3.802 1.00 0.00 C ATOM 861 CG ARG A 60 10.071 0.616 -4.347 1.00 0.00 C ATOM 862 CD ARG A 60 10.934 1.864 -4.436 1.00 0.00 C ATOM 863 NE ARG A 60 12.007 1.719 -5.416 1.00 0.00 N ATOM 864 CZ ARG A 60 12.593 2.746 -6.023 1.00 0.00 C ATOM 865 NH1 ARG A 60 12.212 3.986 -5.750 1.00 0.00 N ATOM 866 NH2 ARG A 60 13.562 2.533 -6.903 1.00 0.00 N ATOM 0 H ARG A 60 8.732 -2.072 -5.541 1.00 0.00 H new ATOM 0 HA ARG A 60 10.865 -2.715 -3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 60 11.023 -0.418 -2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.835 -0.592 -4.279 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.681 0.371 -5.335 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.212 0.811 -3.705 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.311 2.717 -4.704 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.363 2.078 -3.457 1.00 0.00 H new ATOM 0 HE ARG A 60 12.324 0.778 -5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.468 4.153 -5.073 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.663 4.773 -6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.858 1.580 -7.115 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.011 3.322 -7.368 1.00 0.00 H new ATOM 880 N PRO A 61 9.240 -2.446 -1.824 1.00 0.00 N ATOM 881 CA PRO A 61 8.202 -2.614 -0.803 1.00 0.00 C ATOM 882 C PRO A 61 7.617 -1.282 -0.346 1.00 0.00 C ATOM 883 O PRO A 61 6.744 -1.243 0.520 1.00 0.00 O ATOM 884 CB PRO A 61 8.945 -3.296 0.349 1.00 0.00 C ATOM 885 CG PRO A 61 10.369 -2.896 0.170 1.00 0.00 C ATOM 886 CD PRO A 61 10.582 -2.773 -1.313 1.00 0.00 C ATOM 0 HA PRO A 61 7.351 -3.184 -1.176 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.561 -2.971 1.316 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.830 -4.379 0.308 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.575 -1.951 0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.040 -3.639 0.600 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.304 -1.992 -1.552 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.961 -3.700 -1.743 1.00 0.00 H new ATOM 894 N GLU A 62 8.104 -0.194 -0.933 1.00 0.00 N ATOM 895 CA GLU A 62 7.629 1.139 -0.585 1.00 0.00 C ATOM 896 C GLU A 62 6.934 1.798 -1.773 1.00 0.00 C ATOM 897 O GLU A 62 7.458 1.804 -2.887 1.00 0.00 O ATOM 898 CB GLU A 62 8.793 2.013 -0.113 1.00 0.00 C ATOM 899 CG GLU A 62 9.921 2.122 -1.124 1.00 0.00 C ATOM 900 CD GLU A 62 10.987 1.061 -0.926 1.00 0.00 C ATOM 901 OE1 GLU A 62 10.684 0.026 -0.297 1.00 0.00 O ATOM 902 OE2 GLU A 62 12.124 1.267 -1.401 1.00 0.00 O ATOM 0 H GLU A 62 8.827 -0.210 -1.652 1.00 0.00 H new ATOM 0 HA GLU A 62 6.907 1.038 0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.419 3.012 0.110 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.188 1.605 0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.511 2.037 -2.130 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.378 3.109 -1.048 1.00 0.00 H new ATOM 909 N VAL A 63 5.750 2.350 -1.528 1.00 0.00 N ATOM 910 CA VAL A 63 4.983 3.011 -2.576 1.00 0.00 C ATOM 911 C VAL A 63 4.528 4.397 -2.134 1.00 0.00 C ATOM 912 O VAL A 63 4.327 4.647 -0.944 1.00 0.00 O ATOM 913 CB VAL A 63 3.748 2.182 -2.977 1.00 0.00 C ATOM 914 CG1 VAL A 63 2.829 1.981 -1.781 1.00 0.00 C ATOM 915 CG2 VAL A 63 3.006 2.850 -4.124 1.00 0.00 C ATOM 0 H VAL A 63 5.301 2.352 -0.612 1.00 0.00 H new ATOM 0 HA VAL A 63 5.643 3.106 -3.438 1.00 0.00 H new ATOM 0 HB VAL A 63 4.084 1.202 -3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.962 1.393 -2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.367 1.455 -0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.498 2.951 -1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.137 2.250 -4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.680 3.844 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.669 2.936 -4.985 1.00 0.00 H new ATOM 925 N LEU A 64 4.367 5.297 -3.098 1.00 0.00 N ATOM 926 CA LEU A 64 3.935 6.660 -2.808 1.00 0.00 C ATOM 927 C LEU A 64 2.872 7.117 -3.802 1.00 0.00 C ATOM 928 O LEU A 64 3.146 7.277 -4.992 1.00 0.00 O ATOM 929 CB LEU A 64 5.130 7.614 -2.848 1.00 0.00 C ATOM 930 CG LEU A 64 4.799 9.106 -2.812 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.048 9.456 -1.537 1.00 0.00 C ATOM 932 CD2 LEU A 64 6.068 9.937 -2.931 1.00 0.00 C ATOM 0 H LEU A 64 4.529 5.108 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 64 3.501 6.673 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.780 7.386 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.701 7.411 -3.754 1.00 0.00 H new ATOM 0 HG LEU A 64 4.157 9.336 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.821 10.522 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.119 8.887 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.665 9.210 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.813 10.996 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.735 9.703 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.566 9.708 -3.873 1.00 0.00 H new ATOM 944 N LEU A 65 1.658 7.327 -3.306 1.00 0.00 N ATOM 945 CA LEU A 65 0.552 7.768 -4.149 1.00 0.00 C ATOM 946 C LEU A 65 0.475 9.291 -4.194 1.00 0.00 C ATOM 947 O LEU A 65 0.481 9.953 -3.156 1.00 0.00 O ATOM 948 CB LEU A 65 -0.769 7.194 -3.635 1.00 0.00 C ATOM 949 CG LEU A 65 -0.810 5.678 -3.438 1.00 0.00 C ATOM 950 CD1 LEU A 65 -2.069 5.272 -2.687 1.00 0.00 C ATOM 951 CD2 LEU A 65 -0.733 4.964 -4.779 1.00 0.00 C ATOM 0 H LEU A 65 1.414 7.199 -2.324 1.00 0.00 H new ATOM 0 HA LEU A 65 0.730 7.401 -5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.003 7.671 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.559 7.471 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 65 0.054 5.384 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.081 4.190 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.082 5.756 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.947 5.579 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.763 3.886 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.578 5.263 -5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.198 5.230 -5.280 1.00 0.00 H new ATOM 963 N ASP A 66 0.401 9.840 -5.401 1.00 0.00 N ATOM 964 CA ASP A 66 0.319 11.285 -5.581 1.00 0.00 C ATOM 965 C ASP A 66 -1.047 11.688 -6.128 1.00 0.00 C ATOM 966 O ASP A 66 -1.690 10.922 -6.846 1.00 0.00 O ATOM 967 CB ASP A 66 1.422 11.766 -6.524 1.00 0.00 C ATOM 968 CG ASP A 66 1.279 11.196 -7.921 1.00 0.00 C ATOM 969 OD1 ASP A 66 1.394 9.961 -8.073 1.00 0.00 O ATOM 970 OD2 ASP A 66 1.052 11.984 -8.863 1.00 0.00 O ATOM 0 H ASP A 66 0.396 9.306 -6.270 1.00 0.00 H new ATOM 0 HA ASP A 66 0.453 11.756 -4.607 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.403 12.855 -6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.393 11.483 -6.117 1.00 0.00 H new ATOM 975 N GLY A 67 -1.485 12.895 -5.783 1.00 0.00 N ATOM 976 CA GLY A 67 -2.772 13.378 -6.248 1.00 0.00 C ATOM 977 C GLY A 67 -3.931 12.759 -5.491 1.00 0.00 C ATOM 978 O GLY A 67 -4.835 12.178 -6.092 1.00 0.00 O ATOM 0 H GLY A 67 -0.972 13.547 -5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.810 14.462 -6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.877 13.158 -7.310 1.00 0.00 H new ATOM 982 N LEU A 68 -3.905 12.883 -4.169 1.00 0.00 N ATOM 983 CA LEU A 68 -4.960 12.329 -3.328 1.00 0.00 C ATOM 984 C LEU A 68 -5.732 13.440 -2.621 1.00 0.00 C ATOM 985 O LEU A 68 -5.239 14.559 -2.483 1.00 0.00 O ATOM 986 CB LEU A 68 -4.367 11.369 -2.296 1.00 0.00 C ATOM 987 CG LEU A 68 -3.472 10.259 -2.848 1.00 0.00 C ATOM 988 CD1 LEU A 68 -2.597 9.681 -1.747 1.00 0.00 C ATOM 989 CD2 LEU A 68 -4.314 9.167 -3.492 1.00 0.00 C ATOM 0 H LEU A 68 -3.165 13.362 -3.656 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.651 11.781 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.789 11.951 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.187 10.907 -1.746 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.823 10.688 -3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.967 8.893 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.968 10.468 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.228 9.267 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.661 8.385 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.988 8.741 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.897 9.591 -4.310 1.00 0.00 H new ATOM 1001 N GLU A 69 -6.943 13.121 -2.175 1.00 0.00 N ATOM 1002 CA GLU A 69 -7.781 14.092 -1.481 1.00 0.00 C ATOM 1003 C GLU A 69 -7.610 13.976 0.031 1.00 0.00 C ATOM 1004 O GLU A 69 -7.527 12.882 0.590 1.00 0.00 O ATOM 1005 CB GLU A 69 -9.250 13.890 -1.857 1.00 0.00 C ATOM 1006 CG GLU A 69 -9.547 14.164 -3.322 1.00 0.00 C ATOM 1007 CD GLU A 69 -11.021 14.035 -3.652 1.00 0.00 C ATOM 1008 OE1 GLU A 69 -11.722 13.271 -2.956 1.00 0.00 O ATOM 1009 OE2 GLU A 69 -11.475 14.699 -4.608 1.00 0.00 O ATOM 0 H GLU A 69 -7.365 12.199 -2.282 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.469 15.090 -1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.539 12.866 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.867 14.544 -1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.208 15.168 -3.576 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.978 13.470 -3.940 1.00 0.00 H new ATOM 1016 N PRO A 70 -7.557 15.131 0.710 1.00 0.00 N ATOM 1017 CA PRO A 70 -7.396 15.187 2.166 1.00 0.00 C ATOM 1018 C PRO A 70 -8.636 14.697 2.905 1.00 0.00 C ATOM 1019 O PRO A 70 -9.759 14.858 2.429 1.00 0.00 O ATOM 1020 CB PRO A 70 -7.163 16.675 2.440 1.00 0.00 C ATOM 1021 CG PRO A 70 -7.813 17.377 1.299 1.00 0.00 C ATOM 1022 CD PRO A 70 -7.650 16.472 0.109 1.00 0.00 C ATOM 0 HA PRO A 70 -6.587 14.544 2.512 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.602 16.976 3.391 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.099 16.906 2.492 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.867 17.564 1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.346 18.345 1.120 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.497 16.549 -0.573 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.756 16.718 -0.464 1.00 0.00 H new ATOM 1030 N GLY A 71 -8.425 14.097 4.073 1.00 0.00 N ATOM 1031 CA GLY A 71 -9.535 13.593 4.860 1.00 0.00 C ATOM 1032 C GLY A 71 -10.280 12.473 4.160 1.00 0.00 C ATOM 1033 O GLY A 71 -11.510 12.472 4.111 1.00 0.00 O ATOM 0 H GLY A 71 -7.505 13.951 4.488 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.163 13.234 5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.226 14.409 5.072 1.00 0.00 H new ATOM 1037 N ARG A 72 -9.533 11.518 3.616 1.00 0.00 N ATOM 1038 CA ARG A 72 -10.131 10.389 2.912 1.00 0.00 C ATOM 1039 C ARG A 72 -9.499 9.074 3.359 1.00 0.00 C ATOM 1040 O ARG A 72 -8.315 9.025 3.693 1.00 0.00 O ATOM 1041 CB ARG A 72 -9.967 10.558 1.401 1.00 0.00 C ATOM 1042 CG ARG A 72 -11.085 9.919 0.592 1.00 0.00 C ATOM 1043 CD ARG A 72 -11.028 10.341 -0.868 1.00 0.00 C ATOM 1044 NE ARG A 72 -12.239 9.968 -1.593 1.00 0.00 N ATOM 1045 CZ ARG A 72 -12.441 8.762 -2.113 1.00 0.00 C ATOM 1046 NH1 ARG A 72 -11.519 7.818 -1.986 1.00 0.00 N ATOM 1047 NH2 ARG A 72 -13.569 8.498 -2.759 1.00 0.00 N ATOM 0 H ARG A 72 -8.514 11.503 3.649 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.193 10.363 3.154 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.922 11.621 1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.015 10.123 1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.011 8.834 0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.049 10.201 1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.887 11.420 -0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.163 9.880 -1.345 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.969 10.671 -1.706 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.651 8.016 -1.488 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.677 6.893 -2.386 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.282 9.221 -2.857 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.724 7.572 -3.158 1.00 0.00 H new ATOM 1061 N ASP A 73 -10.296 8.012 3.363 1.00 0.00 N ATOM 1062 CA ASP A 73 -9.815 6.696 3.768 1.00 0.00 C ATOM 1063 C ASP A 73 -9.417 5.864 2.553 1.00 0.00 C ATOM 1064 O ASP A 73 -10.118 5.852 1.540 1.00 0.00 O ATOM 1065 CB ASP A 73 -10.888 5.963 4.574 1.00 0.00 C ATOM 1066 CG ASP A 73 -12.284 6.208 4.036 1.00 0.00 C ATOM 1067 OD1 ASP A 73 -12.602 5.681 2.949 1.00 0.00 O ATOM 1068 OD2 ASP A 73 -13.059 6.926 4.702 1.00 0.00 O ATOM 0 H ASP A 73 -11.279 8.036 3.090 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.934 6.836 4.394 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.680 4.893 4.562 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.841 6.285 5.614 1.00 0.00 H new ATOM 1073 N TYR A 74 -8.289 5.172 2.660 1.00 0.00 N ATOM 1074 CA TYR A 74 -7.796 4.340 1.568 1.00 0.00 C ATOM 1075 C TYR A 74 -7.386 2.961 2.075 1.00 0.00 C ATOM 1076 O TYR A 74 -7.009 2.802 3.236 1.00 0.00 O ATOM 1077 CB TYR A 74 -6.609 5.016 0.880 1.00 0.00 C ATOM 1078 CG TYR A 74 -6.982 6.270 0.121 1.00 0.00 C ATOM 1079 CD1 TYR A 74 -7.726 6.201 -1.050 1.00 0.00 C ATOM 1080 CD2 TYR A 74 -6.592 7.523 0.576 1.00 0.00 C ATOM 1081 CE1 TYR A 74 -8.069 7.344 -1.747 1.00 0.00 C ATOM 1082 CE2 TYR A 74 -6.931 8.671 -0.113 1.00 0.00 C ATOM 1083 CZ TYR A 74 -7.669 8.576 -1.274 1.00 0.00 C ATOM 1084 OH TYR A 74 -8.009 9.717 -1.965 1.00 0.00 O ATOM 0 H TYR A 74 -7.698 5.170 3.492 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.604 4.216 0.847 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.859 5.265 1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.148 4.308 0.191 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.042 5.238 -1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.013 7.601 1.485 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.647 7.273 -2.657 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.620 9.637 0.255 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.100 10.464 -1.338 1.00 0.00 H new ATOM 1094 N GLU A 75 -7.463 1.967 1.196 1.00 0.00 N ATOM 1095 CA GLU A 75 -7.100 0.601 1.555 1.00 0.00 C ATOM 1096 C GLU A 75 -6.127 0.012 0.537 1.00 0.00 C ATOM 1097 O GLU A 75 -6.526 -0.727 -0.364 1.00 0.00 O ATOM 1098 CB GLU A 75 -8.352 -0.275 1.647 1.00 0.00 C ATOM 1099 CG GLU A 75 -9.078 -0.160 2.977 1.00 0.00 C ATOM 1100 CD GLU A 75 -10.219 -1.151 3.105 1.00 0.00 C ATOM 1101 OE1 GLU A 75 -11.028 -1.249 2.159 1.00 0.00 O ATOM 1102 OE2 GLU A 75 -10.302 -1.828 4.151 1.00 0.00 O ATOM 0 H GLU A 75 -7.773 2.082 0.231 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.610 0.625 2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.036 -0.002 0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.070 -1.315 1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.369 -0.321 3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.466 0.852 3.089 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.849 0.345 0.688 1.00 0.00 N ATOM 1110 CA VAL A 76 -3.819 -0.151 -0.216 1.00 0.00 C ATOM 1111 C VAL A 76 -3.437 -1.588 0.121 1.00 0.00 C ATOM 1112 O VAL A 76 -2.871 -1.859 1.180 1.00 0.00 O ATOM 1113 CB VAL A 76 -2.556 0.729 -0.165 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -1.482 0.177 -1.089 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -2.895 2.167 -0.526 1.00 0.00 C ATOM 0 H VAL A 76 -4.503 0.956 1.428 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.238 -0.116 -1.222 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.166 0.716 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.598 0.812 -1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.220 -0.835 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.857 0.157 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.991 2.775 -0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.310 2.201 -1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.627 2.557 0.181 1.00 0.00 H new ATOM 1125 N SER A 77 -3.750 -2.507 -0.787 1.00 0.00 N ATOM 1126 CA SER A 77 -3.443 -3.918 -0.585 1.00 0.00 C ATOM 1127 C SER A 77 -2.198 -4.321 -1.371 1.00 0.00 C ATOM 1128 O SER A 77 -2.138 -4.153 -2.589 1.00 0.00 O ATOM 1129 CB SER A 77 -4.630 -4.786 -1.008 1.00 0.00 C ATOM 1130 OG SER A 77 -5.845 -4.275 -0.489 1.00 0.00 O ATOM 0 H SER A 77 -4.216 -2.299 -1.670 1.00 0.00 H new ATOM 0 HA SER A 77 -3.248 -4.074 0.476 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.685 -4.828 -2.096 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.482 -5.807 -0.657 1.00 0.00 H new ATOM 0 HG SER A 77 -6.589 -4.846 -0.775 1.00 0.00 H new ATOM 1136 N VAL A 78 -1.207 -4.853 -0.663 1.00 0.00 N ATOM 1137 CA VAL A 78 0.037 -5.282 -1.293 1.00 0.00 C ATOM 1138 C VAL A 78 0.091 -6.799 -1.426 1.00 0.00 C ATOM 1139 O VAL A 78 -0.241 -7.526 -0.490 1.00 0.00 O ATOM 1140 CB VAL A 78 1.264 -4.804 -0.494 1.00 0.00 C ATOM 1141 CG1 VAL A 78 2.550 -5.204 -1.201 1.00 0.00 C ATOM 1142 CG2 VAL A 78 1.208 -3.298 -0.282 1.00 0.00 C ATOM 0 H VAL A 78 -1.241 -4.997 0.346 1.00 0.00 H new ATOM 0 HA VAL A 78 0.061 -4.832 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 78 1.250 -5.286 0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.406 -4.858 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.591 -6.289 -1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.576 -4.752 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.083 -2.978 0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.197 -2.795 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.304 -3.042 0.271 1.00 0.00 H new ATOM 1152 N GLN A 79 0.510 -7.271 -2.596 1.00 0.00 N ATOM 1153 CA GLN A 79 0.607 -8.703 -2.852 1.00 0.00 C ATOM 1154 C GLN A 79 1.997 -9.072 -3.361 1.00 0.00 C ATOM 1155 O GLN A 79 2.470 -8.524 -4.356 1.00 0.00 O ATOM 1156 CB GLN A 79 -0.452 -9.134 -3.867 1.00 0.00 C ATOM 1157 CG GLN A 79 -0.268 -10.556 -4.372 1.00 0.00 C ATOM 1158 CD GLN A 79 -1.507 -11.096 -5.060 1.00 0.00 C ATOM 1159 OE1 GLN A 79 -2.444 -10.352 -5.350 1.00 0.00 O ATOM 1160 NE2 GLN A 79 -1.517 -12.397 -5.325 1.00 0.00 N ATOM 0 H GLN A 79 0.788 -6.682 -3.381 1.00 0.00 H new ATOM 0 HA GLN A 79 0.433 -9.227 -1.912 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.438 -9.044 -3.411 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.429 -8.450 -4.716 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.571 -10.585 -5.067 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.010 -11.204 -3.535 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.718 -12.976 -5.067 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.324 -12.817 -5.787 1.00 0.00 H new ATOM 1169 N SER A 80 2.646 -10.005 -2.671 1.00 0.00 N ATOM 1170 CA SER A 80 3.983 -10.444 -3.051 1.00 0.00 C ATOM 1171 C SER A 80 3.939 -11.276 -4.329 1.00 0.00 C ATOM 1172 O SER A 80 3.654 -12.474 -4.295 1.00 0.00 O ATOM 1173 CB SER A 80 4.616 -11.259 -1.920 1.00 0.00 C ATOM 1174 OG SER A 80 4.766 -10.475 -0.749 1.00 0.00 O ATOM 0 H SER A 80 2.267 -10.471 -1.846 1.00 0.00 H new ATOM 0 HA SER A 80 4.591 -9.558 -3.235 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.995 -12.128 -1.702 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.589 -11.634 -2.238 1.00 0.00 H new ATOM 0 HG SER A 80 5.541 -10.792 -0.240 1.00 0.00 H new ATOM 1180 N LEU A 81 4.224 -10.632 -5.456 1.00 0.00 N ATOM 1181 CA LEU A 81 4.217 -11.311 -6.747 1.00 0.00 C ATOM 1182 C LEU A 81 5.617 -11.792 -7.117 1.00 0.00 C ATOM 1183 O LEU A 81 6.592 -11.051 -6.989 1.00 0.00 O ATOM 1184 CB LEU A 81 3.683 -10.377 -7.834 1.00 0.00 C ATOM 1185 CG LEU A 81 2.192 -10.044 -7.760 1.00 0.00 C ATOM 1186 CD1 LEU A 81 1.795 -9.115 -8.896 1.00 0.00 C ATOM 1187 CD2 LEU A 81 1.359 -11.318 -7.795 1.00 0.00 C ATOM 0 H LEU A 81 4.463 -9.641 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 81 3.563 -12.179 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.246 -9.444 -7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.886 -10.829 -8.805 1.00 0.00 H new ATOM 0 HG LEU A 81 2.000 -9.533 -6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.731 -8.889 -8.827 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.367 -8.190 -8.826 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.002 -9.599 -9.851 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.301 -11.062 -7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.556 -11.856 -8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.623 -11.949 -6.946 1.00 0.00 H new ATOM 1199 N ARG A 82 5.707 -13.035 -7.577 1.00 0.00 N ATOM 1200 CA ARG A 82 6.987 -13.614 -7.967 1.00 0.00 C ATOM 1201 C ARG A 82 6.933 -14.140 -9.398 1.00 0.00 C ATOM 1202 O ARG A 82 7.952 -14.209 -10.084 1.00 0.00 O ATOM 1203 CB ARG A 82 7.372 -14.745 -7.011 1.00 0.00 C ATOM 1204 CG ARG A 82 6.599 -16.032 -7.248 1.00 0.00 C ATOM 1205 CD ARG A 82 7.364 -17.243 -6.739 1.00 0.00 C ATOM 1206 NE ARG A 82 7.399 -17.295 -5.280 1.00 0.00 N ATOM 1207 CZ ARG A 82 8.009 -18.254 -4.593 1.00 0.00 C ATOM 1208 NH1 ARG A 82 8.633 -19.236 -5.229 1.00 0.00 N ATOM 1209 NH2 ARG A 82 7.997 -18.232 -3.266 1.00 0.00 N ATOM 0 H ARG A 82 4.909 -13.661 -7.689 1.00 0.00 H new ATOM 0 HA ARG A 82 7.742 -12.830 -7.915 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.438 -14.948 -7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.206 -14.415 -5.986 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.632 -15.974 -6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.400 -16.147 -8.313 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.901 -18.152 -7.123 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.383 -17.217 -7.125 1.00 0.00 H new ATOM 0 HE ARG A 82 6.929 -16.554 -4.760 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.645 -19.256 -6.249 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.101 -19.971 -4.699 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.519 -17.478 -2.773 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.466 -18.969 -2.739 1.00 0.00 H new ATOM 1223 N GLY A 83 5.736 -14.510 -9.842 1.00 0.00 N ATOM 1224 CA GLY A 83 5.571 -15.026 -11.189 1.00 0.00 C ATOM 1225 C GLY A 83 4.114 -15.197 -11.570 1.00 0.00 C ATOM 1226 O GLY A 83 3.334 -14.244 -11.569 1.00 0.00 O ATOM 0 H GLY A 83 4.877 -14.462 -9.293 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.051 -14.349 -11.895 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.080 -15.986 -11.272 1.00 0.00 H new ATOM 1230 N PRO A 84 3.728 -16.436 -11.907 1.00 0.00 N ATOM 1231 CA PRO A 84 2.353 -16.758 -12.300 1.00 0.00 C ATOM 1232 C PRO A 84 1.380 -16.667 -11.129 1.00 0.00 C ATOM 1233 O PRO A 84 0.183 -16.453 -11.321 1.00 0.00 O ATOM 1234 CB PRO A 84 2.455 -18.201 -12.800 1.00 0.00 C ATOM 1235 CG PRO A 84 3.642 -18.763 -12.096 1.00 0.00 C ATOM 1236 CD PRO A 84 4.604 -17.620 -11.930 1.00 0.00 C ATOM 0 HA PRO A 84 1.968 -16.061 -13.045 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.552 -18.766 -12.567 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.583 -18.237 -13.882 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.361 -19.180 -11.129 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.092 -19.571 -12.673 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.181 -17.711 -11.010 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.319 -17.575 -12.751 1.00 0.00 H new ATOM 1244 N GLU A 85 1.901 -16.832 -9.918 1.00 0.00 N ATOM 1245 CA GLU A 85 1.077 -16.770 -8.717 1.00 0.00 C ATOM 1246 C GLU A 85 1.665 -15.793 -7.703 1.00 0.00 C ATOM 1247 O GLU A 85 2.877 -15.584 -7.657 1.00 0.00 O ATOM 1248 CB GLU A 85 0.946 -18.158 -8.087 1.00 0.00 C ATOM 1249 CG GLU A 85 2.275 -18.763 -7.667 1.00 0.00 C ATOM 1250 CD GLU A 85 2.115 -20.107 -6.984 1.00 0.00 C ATOM 1251 OE1 GLU A 85 1.287 -20.915 -7.455 1.00 0.00 O ATOM 1252 OE2 GLU A 85 2.816 -20.352 -5.981 1.00 0.00 O ATOM 0 H GLU A 85 2.890 -17.010 -9.742 1.00 0.00 H new ATOM 0 HA GLU A 85 0.087 -16.416 -9.006 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.295 -18.092 -7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.461 -18.826 -8.798 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.910 -18.879 -8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.786 -18.076 -6.993 1.00 0.00 H new ATOM 1259 N GLY A 86 0.797 -15.195 -6.892 1.00 0.00 N ATOM 1260 CA GLY A 86 1.249 -14.247 -5.890 1.00 0.00 C ATOM 1261 C GLY A 86 0.820 -14.635 -4.489 1.00 0.00 C ATOM 1262 O GLY A 86 0.184 -15.671 -4.292 1.00 0.00 O ATOM 0 H GLY A 86 -0.211 -15.350 -6.911 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.336 -14.175 -5.927 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.856 -13.258 -6.126 1.00 0.00 H new ATOM 1266 N SER A 87 1.169 -13.803 -3.513 1.00 0.00 N ATOM 1267 CA SER A 87 0.820 -14.067 -2.122 1.00 0.00 C ATOM 1268 C SER A 87 -0.571 -13.531 -1.800 1.00 0.00 C ATOM 1269 O SER A 87 -1.251 -12.981 -2.665 1.00 0.00 O ATOM 1270 CB SER A 87 1.853 -13.435 -1.187 1.00 0.00 C ATOM 1271 OG SER A 87 1.777 -12.020 -1.225 1.00 0.00 O ATOM 0 H SER A 87 1.693 -12.940 -3.660 1.00 0.00 H new ATOM 0 HA SER A 87 0.817 -15.147 -1.972 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.687 -13.784 -0.168 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.854 -13.756 -1.475 1.00 0.00 H new ATOM 0 HG SER A 87 0.970 -11.723 -0.756 1.00 0.00 H new ATOM 1277 N GLU A 88 -0.986 -13.695 -0.548 1.00 0.00 N ATOM 1278 CA GLU A 88 -2.297 -13.228 -0.111 1.00 0.00 C ATOM 1279 C GLU A 88 -2.365 -11.704 -0.128 1.00 0.00 C ATOM 1280 O GLU A 88 -1.338 -11.026 -0.111 1.00 0.00 O ATOM 1281 CB GLU A 88 -2.605 -13.748 1.295 1.00 0.00 C ATOM 1282 CG GLU A 88 -3.101 -15.184 1.318 1.00 0.00 C ATOM 1283 CD GLU A 88 -3.228 -15.735 2.725 1.00 0.00 C ATOM 1284 OE1 GLU A 88 -2.191 -16.105 3.314 1.00 0.00 O ATOM 1285 OE2 GLU A 88 -4.366 -15.796 3.237 1.00 0.00 O ATOM 0 H GLU A 88 -0.434 -14.147 0.181 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.043 -13.615 -0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.705 -13.673 1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.356 -13.106 1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.070 -15.238 0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.416 -15.810 0.747 1.00 0.00 H new ATOM 1292 N ALA A 89 -3.582 -11.172 -0.162 1.00 0.00 N ATOM 1293 CA ALA A 89 -3.785 -9.729 -0.179 1.00 0.00 C ATOM 1294 C ALA A 89 -3.635 -9.136 1.217 1.00 0.00 C ATOM 1295 O ALA A 89 -4.481 -9.348 2.086 1.00 0.00 O ATOM 1296 CB ALA A 89 -5.155 -9.396 -0.752 1.00 0.00 C ATOM 0 H ALA A 89 -4.443 -11.719 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.019 -9.287 -0.816 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.294 -8.315 -0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.226 -9.777 -1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.928 -9.857 -0.137 1.00 0.00 H new ATOM 1302 N ARG A 90 -2.553 -8.393 1.426 1.00 0.00 N ATOM 1303 CA ARG A 90 -2.291 -7.772 2.719 1.00 0.00 C ATOM 1304 C ARG A 90 -2.392 -6.252 2.622 1.00 0.00 C ATOM 1305 O ARG A 90 -1.453 -5.584 2.190 1.00 0.00 O ATOM 1306 CB ARG A 90 -0.905 -8.170 3.229 1.00 0.00 C ATOM 1307 CG ARG A 90 -0.688 -9.673 3.294 1.00 0.00 C ATOM 1308 CD ARG A 90 -1.706 -10.343 4.204 1.00 0.00 C ATOM 1309 NE ARG A 90 -1.416 -11.761 4.399 1.00 0.00 N ATOM 1310 CZ ARG A 90 -0.436 -12.211 5.174 1.00 0.00 C ATOM 1311 NH1 ARG A 90 0.345 -11.358 5.823 1.00 0.00 N ATOM 1312 NH2 ARG A 90 -0.234 -13.516 5.301 1.00 0.00 N ATOM 0 H ARG A 90 -1.844 -8.206 0.717 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.044 -8.125 3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.148 -7.730 2.580 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.758 -7.747 4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.760 -10.096 2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.319 -9.881 3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.716 -9.839 5.170 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.703 -10.232 3.777 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.998 -12.443 3.913 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.194 -10.354 5.728 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.097 -11.706 6.418 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.832 -14.175 4.803 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.519 -13.860 5.897 1.00 0.00 H new ATOM 1326 N GLY A 91 -3.538 -5.713 3.026 1.00 0.00 N ATOM 1327 CA GLY A 91 -3.740 -4.277 2.976 1.00 0.00 C ATOM 1328 C GLY A 91 -3.816 -3.653 4.356 1.00 0.00 C ATOM 1329 O GLY A 91 -4.009 -4.353 5.350 1.00 0.00 O ATOM 0 H GLY A 91 -4.330 -6.245 3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.924 -3.818 2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.660 -4.061 2.432 1.00 0.00 H new ATOM 1333 N ILE A 92 -3.662 -2.335 4.417 1.00 0.00 N ATOM 1334 CA ILE A 92 -3.713 -1.618 5.685 1.00 0.00 C ATOM 1335 C ILE A 92 -4.741 -0.493 5.639 1.00 0.00 C ATOM 1336 O ILE A 92 -5.189 -0.091 4.565 1.00 0.00 O ATOM 1337 CB ILE A 92 -2.339 -1.028 6.054 1.00 0.00 C ATOM 1338 CG1 ILE A 92 -2.410 -0.325 7.411 1.00 0.00 C ATOM 1339 CG2 ILE A 92 -1.870 -0.064 4.975 1.00 0.00 C ATOM 1340 CD1 ILE A 92 -1.053 -0.057 8.024 1.00 0.00 C ATOM 0 H ILE A 92 -3.501 -1.742 3.603 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.004 -2.342 6.446 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.617 -1.842 6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.940 0.620 7.294 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.996 -0.936 8.098 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.898 0.345 5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.786 -0.593 4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.590 0.748 4.875 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.180 0.443 8.984 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.528 -1.001 8.173 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.472 0.580 7.357 1.00 0.00 H new ATOM 1352 N ARG A 93 -5.110 0.012 6.812 1.00 0.00 N ATOM 1353 CA ARG A 93 -6.085 1.092 6.906 1.00 0.00 C ATOM 1354 C ARG A 93 -5.404 2.452 6.783 1.00 0.00 C ATOM 1355 O ARG A 93 -4.993 3.044 7.781 1.00 0.00 O ATOM 1356 CB ARG A 93 -6.845 1.008 8.231 1.00 0.00 C ATOM 1357 CG ARG A 93 -7.733 2.211 8.502 1.00 0.00 C ATOM 1358 CD ARG A 93 -9.032 2.133 7.716 1.00 0.00 C ATOM 1359 NE ARG A 93 -9.932 1.112 8.246 1.00 0.00 N ATOM 1360 CZ ARG A 93 -11.245 1.112 8.043 1.00 0.00 C ATOM 1361 NH1 ARG A 93 -11.808 2.073 7.325 1.00 0.00 N ATOM 1362 NH2 ARG A 93 -11.997 0.148 8.559 1.00 0.00 N ATOM 0 H ARG A 93 -4.749 -0.309 7.710 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.791 0.983 6.083 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.458 0.107 8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.128 0.906 9.045 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.954 2.268 9.568 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.201 3.125 8.237 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -9.529 3.103 7.741 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.811 1.914 6.671 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.530 0.357 8.803 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.233 2.815 6.926 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.816 2.070 7.171 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.567 -0.594 9.112 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.005 0.149 8.403 1.00 0.00 H new ATOM 1376 N ALA A 94 -5.287 2.941 5.553 1.00 0.00 N ATOM 1377 CA ALA A 94 -4.658 4.231 5.300 1.00 0.00 C ATOM 1378 C ALA A 94 -5.563 5.378 5.734 1.00 0.00 C ATOM 1379 O ALA A 94 -6.788 5.274 5.667 1.00 0.00 O ATOM 1380 CB ALA A 94 -4.302 4.365 3.826 1.00 0.00 C ATOM 0 H ALA A 94 -5.620 2.463 4.716 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.743 4.283 5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.833 5.333 3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.610 3.571 3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.208 4.287 3.224 1.00 0.00 H new ATOM 1386 N ARG A 95 -4.953 6.471 6.180 1.00 0.00 N ATOM 1387 CA ARG A 95 -5.705 7.637 6.627 1.00 0.00 C ATOM 1388 C ARG A 95 -4.949 8.925 6.314 1.00 0.00 C ATOM 1389 O ARG A 95 -3.719 8.936 6.249 1.00 0.00 O ATOM 1390 CB ARG A 95 -5.980 7.548 8.129 1.00 0.00 C ATOM 1391 CG ARG A 95 -4.736 7.706 8.987 1.00 0.00 C ATOM 1392 CD ARG A 95 -4.967 7.200 10.403 1.00 0.00 C ATOM 1393 NE ARG A 95 -3.723 6.788 11.047 1.00 0.00 N ATOM 1394 CZ ARG A 95 -3.564 6.721 12.364 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -4.567 7.037 13.173 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -2.401 6.337 12.875 1.00 0.00 N ATOM 0 H ARG A 95 -3.940 6.573 6.241 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.654 7.653 6.091 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.701 8.318 8.404 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.442 6.586 8.349 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.909 7.159 8.535 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.445 8.756 9.018 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.439 7.984 10.995 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.659 6.358 10.379 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.933 6.538 10.453 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.462 7.332 12.784 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.443 6.985 14.184 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.628 6.093 12.256 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.280 6.286 13.887 1.00 0.00 H new ATOM 1410 N THR A 96 -5.692 10.010 6.119 1.00 0.00 N ATOM 1411 CA THR A 96 -5.093 11.302 5.811 1.00 0.00 C ATOM 1412 C THR A 96 -5.895 12.442 6.429 1.00 0.00 C ATOM 1413 O THR A 96 -7.117 12.513 6.301 1.00 0.00 O ATOM 1414 CB THR A 96 -4.992 11.526 4.290 1.00 0.00 C ATOM 1415 OG1 THR A 96 -6.239 11.203 3.664 1.00 0.00 O ATOM 1416 CG2 THR A 96 -3.882 10.677 3.690 1.00 0.00 C ATOM 0 H THR A 96 -6.711 10.019 6.169 1.00 0.00 H new ATOM 0 HA THR A 96 -4.090 11.295 6.237 1.00 0.00 H new ATOM 0 HB THR A 96 -4.759 12.576 4.114 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.167 11.349 2.698 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.830 10.852 2.615 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.930 10.946 4.148 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.089 9.623 3.876 1.00 0.00 H new ATOM 1424 N PRO A 97 -5.193 13.356 7.115 1.00 0.00 N ATOM 1425 CA PRO A 97 -5.819 14.510 7.766 1.00 0.00 C ATOM 1426 C PRO A 97 -6.347 15.527 6.760 1.00 0.00 C ATOM 1427 O PRO A 97 -6.361 15.275 5.555 1.00 0.00 O ATOM 1428 CB PRO A 97 -4.680 15.114 8.590 1.00 0.00 C ATOM 1429 CG PRO A 97 -3.437 14.688 7.888 1.00 0.00 C ATOM 1430 CD PRO A 97 -3.733 13.333 7.308 1.00 0.00 C ATOM 0 HA PRO A 97 -6.686 14.222 8.360 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.757 16.200 8.635 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.699 14.750 9.617 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.168 15.397 7.105 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.595 14.641 8.579 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.206 13.175 6.367 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.429 12.532 7.982 1.00 0.00 H new ATOM 1438 N THR A 98 -6.780 16.679 7.262 1.00 0.00 N ATOM 1439 CA THR A 98 -7.309 17.735 6.407 1.00 0.00 C ATOM 1440 C THR A 98 -6.645 19.073 6.711 1.00 0.00 C ATOM 1441 O THR A 98 -6.691 19.557 7.841 1.00 0.00 O ATOM 1442 CB THR A 98 -8.833 17.881 6.574 1.00 0.00 C ATOM 1443 OG1 THR A 98 -9.155 18.116 7.950 1.00 0.00 O ATOM 1444 CG2 THR A 98 -9.554 16.634 6.085 1.00 0.00 C ATOM 0 H THR A 98 -6.775 16.905 8.257 1.00 0.00 H new ATOM 0 HA THR A 98 -7.089 17.449 5.378 1.00 0.00 H new ATOM 0 HB THR A 98 -9.162 18.730 5.974 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.514 18.752 8.332 1.00 0.00 H new ATOM 0 HG21 THR A 98 -10.629 16.761 6.213 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.331 16.475 5.030 1.00 0.00 H new ATOM 0 HG23 THR A 98 -9.220 15.771 6.661 1.00 0.00 H new ATOM 1452 N SER A 99 -6.028 19.666 5.694 1.00 0.00 N ATOM 1453 CA SER A 99 -5.351 20.948 5.853 1.00 0.00 C ATOM 1454 C SER A 99 -6.351 22.099 5.811 1.00 0.00 C ATOM 1455 O SER A 99 -6.865 22.451 4.751 1.00 0.00 O ATOM 1456 CB SER A 99 -4.298 21.132 4.759 1.00 0.00 C ATOM 1457 OG SER A 99 -3.868 22.480 4.686 1.00 0.00 O ATOM 0 H SER A 99 -5.983 19.279 4.751 1.00 0.00 H new ATOM 0 HA SER A 99 -4.859 20.953 6.825 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.444 20.485 4.960 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.711 20.826 3.798 1.00 0.00 H new ATOM 0 HG SER A 99 -3.194 22.571 3.980 1.00 0.00 H new