USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 49 TYR OH : rot -73:sc= 0.125 USER MOD Set 1.2: A 62 SER OG : rot -109:sc= 1.28 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.447 K(o=-0.45,f=-3.9!) USER MOD Single : A 19 ASN : amide:sc= 0.104 X(o=0.1,f=-0.33) USER MOD Single : A 22 GLN : amide:sc= -0.966 K(o=-0.97,f=-4.5!) USER MOD Single : A 30 GLN : amide:sc= -3.02! K(o=-3!,f=-1.2) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.00281 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 52 THR OG1 : rot 1:sc= 1.02 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -77:sc= -0.979 USER MOD Single : A 58 SER OG : rot -103:sc= 0.73 USER MOD Single : A 63 TYR OH : rot -140:sc= -0.107 USER MOD Single : A 78 SER OG : rot 87:sc= 0.242 USER MOD Single : A 80 MET CE :methyl 143:sc= -3.9! (180deg=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 10 2.283 -12.607 -6.616 1.00 0.00 N ATOM 88 CA LEU A 10 3.235 -11.515 -6.779 1.00 0.00 C ATOM 89 C LEU A 10 4.629 -11.935 -6.323 1.00 0.00 C ATOM 90 O LEU A 10 4.789 -12.554 -5.271 1.00 0.00 O ATOM 91 CB LEU A 10 2.776 -10.289 -5.987 1.00 0.00 C ATOM 92 CG LEU A 10 1.653 -9.465 -6.618 1.00 0.00 C ATOM 93 CD1 LEU A 10 1.190 -8.375 -5.664 1.00 0.00 C ATOM 94 CD2 LEU A 10 2.111 -8.862 -7.938 1.00 0.00 C ATOM 0 HA LEU A 10 3.280 -11.261 -7.838 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.447 -10.620 -5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.636 -9.637 -5.834 1.00 0.00 H new ATOM 0 HG LEU A 10 0.810 -10.127 -6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.391 -7.799 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.821 -8.829 -4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.026 -7.715 -5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.299 -8.279 -8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.970 -8.214 -7.763 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.392 -9.660 -8.625 1.00 0.00 H new ATOM 106 N SER A 11 5.635 -11.593 -7.122 1.00 0.00 N ATOM 107 CA SER A 11 7.016 -11.937 -6.801 1.00 0.00 C ATOM 108 C SER A 11 7.577 -10.996 -5.740 1.00 0.00 C ATOM 109 O SER A 11 8.656 -10.424 -5.908 1.00 0.00 O ATOM 110 CB SER A 11 7.883 -11.879 -8.060 1.00 0.00 C ATOM 111 OG SER A 11 7.778 -13.079 -8.807 1.00 0.00 O ATOM 0 H SER A 11 5.520 -11.079 -7.995 1.00 0.00 H new ATOM 0 HA SER A 11 7.030 -12.952 -6.405 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.577 -11.035 -8.678 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.923 -11.710 -7.782 1.00 0.00 H new ATOM 0 HG SER A 11 8.340 -13.016 -9.607 1.00 0.00 H new ATOM 117 N LEU A 12 6.839 -10.839 -4.647 1.00 0.00 N ATOM 118 CA LEU A 12 7.262 -9.967 -3.557 1.00 0.00 C ATOM 119 C LEU A 12 7.171 -10.689 -2.216 1.00 0.00 C ATOM 120 O LEU A 12 6.274 -11.502 -1.997 1.00 0.00 O ATOM 121 CB LEU A 12 6.403 -8.701 -3.527 1.00 0.00 C ATOM 122 CG LEU A 12 6.382 -7.874 -4.812 1.00 0.00 C ATOM 123 CD1 LEU A 12 5.058 -7.138 -4.952 1.00 0.00 C ATOM 124 CD2 LEU A 12 7.544 -6.892 -4.834 1.00 0.00 C ATOM 0 H LEU A 12 5.945 -11.304 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 12 8.302 -9.689 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.379 -8.986 -3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.757 -8.065 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 12 6.489 -8.552 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.062 -6.555 -5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.242 -7.860 -4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.920 -6.471 -4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.513 -6.312 -5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.468 -6.219 -3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.485 -7.440 -4.782 1.00 0.00 H new ATOM 136 N GLY A 13 8.105 -10.383 -1.320 1.00 0.00 N ATOM 137 CA GLY A 13 8.111 -11.010 -0.012 1.00 0.00 C ATOM 138 C GLY A 13 7.092 -10.398 0.929 1.00 0.00 C ATOM 139 O GLY A 13 6.208 -9.657 0.500 1.00 0.00 O ATOM 0 H GLY A 13 8.857 -9.712 -1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.906 -12.075 -0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.105 -10.920 0.426 1.00 0.00 H new ATOM 143 N ASP A 14 7.213 -10.710 2.214 1.00 0.00 N ATOM 144 CA ASP A 14 6.295 -10.187 3.219 1.00 0.00 C ATOM 145 C ASP A 14 6.700 -8.779 3.644 1.00 0.00 C ATOM 146 O ASP A 14 5.854 -7.898 3.802 1.00 0.00 O ATOM 147 CB ASP A 14 6.257 -11.110 4.437 1.00 0.00 C ATOM 148 CG ASP A 14 5.247 -12.230 4.284 1.00 0.00 C ATOM 149 OD1 ASP A 14 5.507 -13.160 3.491 1.00 0.00 O ATOM 150 OD2 ASP A 14 4.196 -12.177 4.957 1.00 0.00 O ATOM 0 H ASP A 14 7.939 -11.323 2.585 1.00 0.00 H new ATOM 0 HA ASP A 14 5.300 -10.142 2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.247 -11.537 4.597 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.015 -10.525 5.325 1.00 0.00 H new ATOM 155 N THR A 15 8.000 -8.573 3.829 1.00 0.00 N ATOM 156 CA THR A 15 8.518 -7.274 4.239 1.00 0.00 C ATOM 157 C THR A 15 8.163 -6.195 3.221 1.00 0.00 C ATOM 158 O THR A 15 7.495 -5.215 3.550 1.00 0.00 O ATOM 159 CB THR A 15 10.047 -7.310 4.419 1.00 0.00 C ATOM 160 OG1 THR A 15 10.413 -8.389 5.285 1.00 0.00 O ATOM 161 CG2 THR A 15 10.555 -5.996 4.994 1.00 0.00 C ATOM 0 H THR A 15 8.714 -9.290 3.701 1.00 0.00 H new ATOM 0 HA THR A 15 8.053 -7.036 5.195 1.00 0.00 H new ATOM 0 HB THR A 15 10.503 -7.460 3.440 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.387 -8.406 5.393 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.637 -6.045 5.112 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.300 -5.180 4.317 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.091 -5.820 5.965 1.00 0.00 H new ATOM 169 N ALA A 16 8.612 -6.383 1.985 1.00 0.00 N ATOM 170 CA ALA A 16 8.339 -5.427 0.919 1.00 0.00 C ATOM 171 C ALA A 16 6.891 -4.953 0.965 1.00 0.00 C ATOM 172 O ALA A 16 6.621 -3.751 0.993 1.00 0.00 O ATOM 173 CB ALA A 16 8.652 -6.044 -0.436 1.00 0.00 C ATOM 0 H ALA A 16 9.167 -7.189 1.697 1.00 0.00 H new ATOM 0 HA ALA A 16 8.982 -4.560 1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.444 -5.319 -1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.704 -6.327 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.033 -6.929 -0.585 1.00 0.00 H new ATOM 179 N LEU A 17 5.962 -5.903 0.972 1.00 0.00 N ATOM 180 CA LEU A 17 4.540 -5.582 1.014 1.00 0.00 C ATOM 181 C LEU A 17 4.225 -4.652 2.181 1.00 0.00 C ATOM 182 O LEU A 17 3.778 -3.522 1.984 1.00 0.00 O ATOM 183 CB LEU A 17 3.711 -6.862 1.130 1.00 0.00 C ATOM 184 CG LEU A 17 3.736 -7.790 -0.085 1.00 0.00 C ATOM 185 CD1 LEU A 17 3.041 -9.105 0.232 1.00 0.00 C ATOM 186 CD2 LEU A 17 3.085 -7.116 -1.285 1.00 0.00 C ATOM 0 H LEU A 17 6.168 -6.902 0.949 1.00 0.00 H new ATOM 0 HA LEU A 17 4.281 -5.071 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.063 -7.422 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.676 -6.584 1.329 1.00 0.00 H new ATOM 0 HG LEU A 17 4.776 -8.003 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.069 -9.752 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.551 -9.595 1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.004 -8.911 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.112 -7.791 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.050 -6.872 -1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.627 -6.202 -1.527 1.00 0.00 H new ATOM 198 N GLN A 18 4.464 -5.134 3.397 1.00 0.00 N ATOM 199 CA GLN A 18 4.208 -4.345 4.595 1.00 0.00 C ATOM 200 C GLN A 18 4.639 -2.896 4.396 1.00 0.00 C ATOM 201 O GLN A 18 3.866 -1.970 4.635 1.00 0.00 O ATOM 202 CB GLN A 18 4.942 -4.947 5.795 1.00 0.00 C ATOM 203 CG GLN A 18 4.259 -6.176 6.372 1.00 0.00 C ATOM 204 CD GLN A 18 3.062 -5.827 7.235 1.00 0.00 C ATOM 205 OE1 GLN A 18 2.238 -4.991 6.865 1.00 0.00 O ATOM 206 NE2 GLN A 18 2.960 -6.469 8.393 1.00 0.00 N ATOM 0 H GLN A 18 4.834 -6.067 3.578 1.00 0.00 H new ATOM 0 HA GLN A 18 3.135 -4.363 4.788 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.956 -5.212 5.495 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.028 -4.190 6.575 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.938 -6.825 5.557 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.978 -6.741 6.965 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.666 -7.155 8.660 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.175 -6.277 9.015 1.00 0.00 H new ATOM 215 N ASN A 19 5.879 -2.708 3.956 1.00 0.00 N ATOM 216 CA ASN A 19 6.414 -1.370 3.725 1.00 0.00 C ATOM 217 C ASN A 19 5.549 -0.603 2.730 1.00 0.00 C ATOM 218 O ASN A 19 5.045 0.479 3.034 1.00 0.00 O ATOM 219 CB ASN A 19 7.851 -1.456 3.209 1.00 0.00 C ATOM 220 CG ASN A 19 8.835 -1.840 4.297 1.00 0.00 C ATOM 221 OD1 ASN A 19 9.378 -0.980 4.991 1.00 0.00 O ATOM 222 ND2 ASN A 19 9.069 -3.138 4.450 1.00 0.00 N ATOM 0 H ASN A 19 6.532 -3.464 3.752 1.00 0.00 H new ATOM 0 HA ASN A 19 6.407 -0.833 4.674 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.901 -2.188 2.403 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.140 -0.494 2.785 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.722 -3.458 5.166 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.596 -3.815 3.852 1.00 0.00 H new ATOM 229 N LEU A 20 5.380 -1.171 1.541 1.00 0.00 N ATOM 230 CA LEU A 20 4.575 -0.541 0.500 1.00 0.00 C ATOM 231 C LEU A 20 3.233 -0.075 1.057 1.00 0.00 C ATOM 232 O LEU A 20 2.827 1.067 0.845 1.00 0.00 O ATOM 233 CB LEU A 20 4.348 -1.516 -0.657 1.00 0.00 C ATOM 234 CG LEU A 20 4.130 -0.886 -2.033 1.00 0.00 C ATOM 235 CD1 LEU A 20 2.936 0.055 -2.005 1.00 0.00 C ATOM 236 CD2 LEU A 20 5.382 -0.150 -2.487 1.00 0.00 C ATOM 0 H LEU A 20 5.789 -2.066 1.274 1.00 0.00 H new ATOM 0 HA LEU A 20 5.118 0.330 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.208 -2.183 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.481 -2.133 -0.421 1.00 0.00 H new ATOM 0 HG LEU A 20 3.922 -1.682 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.796 0.494 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.041 -0.501 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.114 0.847 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.209 0.292 -3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.621 0.637 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.215 -0.851 -2.547 1.00 0.00 H new ATOM 248 N GLU A 21 2.552 -0.966 1.770 1.00 0.00 N ATOM 249 CA GLU A 21 1.257 -0.644 2.359 1.00 0.00 C ATOM 250 C GLU A 21 1.322 0.671 3.130 1.00 0.00 C ATOM 251 O GLU A 21 0.698 1.659 2.746 1.00 0.00 O ATOM 252 CB GLU A 21 0.799 -1.770 3.287 1.00 0.00 C ATOM 253 CG GLU A 21 0.464 -3.061 2.558 1.00 0.00 C ATOM 254 CD GLU A 21 0.336 -4.245 3.497 1.00 0.00 C ATOM 255 OE1 GLU A 21 -0.083 -4.041 4.656 1.00 0.00 O ATOM 256 OE2 GLU A 21 0.655 -5.375 3.072 1.00 0.00 O ATOM 0 H GLU A 21 2.875 -1.916 1.954 1.00 0.00 H new ATOM 0 HA GLU A 21 0.536 -0.535 1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.583 -1.968 4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.078 -1.438 3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.470 -2.933 2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.239 -3.269 1.821 1.00 0.00 H new ATOM 263 N GLN A 22 2.082 0.673 4.221 1.00 0.00 N ATOM 264 CA GLN A 22 2.227 1.866 5.048 1.00 0.00 C ATOM 265 C GLN A 22 2.652 3.064 4.205 1.00 0.00 C ATOM 266 O GLN A 22 2.035 4.128 4.264 1.00 0.00 O ATOM 267 CB GLN A 22 3.250 1.620 6.159 1.00 0.00 C ATOM 268 CG GLN A 22 2.865 0.491 7.101 1.00 0.00 C ATOM 269 CD GLN A 22 1.683 0.844 7.983 1.00 0.00 C ATOM 270 OE1 GLN A 22 0.645 1.296 7.498 1.00 0.00 O ATOM 271 NE2 GLN A 22 1.835 0.639 9.286 1.00 0.00 N ATOM 0 H GLN A 22 2.606 -0.137 4.552 1.00 0.00 H new ATOM 0 HA GLN A 22 1.259 2.087 5.497 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.216 1.392 5.708 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.375 2.536 6.736 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.625 -0.398 6.518 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.720 0.239 7.729 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.713 0.263 9.644 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.074 0.858 9.929 1.00 0.00 H new ATOM 280 N LEU A 23 3.710 2.884 3.422 1.00 0.00 N ATOM 281 CA LEU A 23 4.219 3.951 2.567 1.00 0.00 C ATOM 282 C LEU A 23 3.076 4.682 1.870 1.00 0.00 C ATOM 283 O LEU A 23 3.122 5.900 1.689 1.00 0.00 O ATOM 284 CB LEU A 23 5.184 3.381 1.526 1.00 0.00 C ATOM 285 CG LEU A 23 6.644 3.253 1.963 1.00 0.00 C ATOM 286 CD1 LEU A 23 7.314 2.089 1.249 1.00 0.00 C ATOM 287 CD2 LEU A 23 7.395 4.549 1.697 1.00 0.00 C ATOM 0 H LEU A 23 4.232 2.010 3.361 1.00 0.00 H new ATOM 0 HA LEU A 23 4.752 4.664 3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.826 2.395 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.145 4.014 0.639 1.00 0.00 H new ATOM 0 HG LEU A 23 6.668 3.057 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.352 2.013 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.790 1.164 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.280 2.255 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.432 4.440 2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.363 4.776 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.928 5.361 2.255 1.00 0.00 H new ATOM 299 N LEU A 24 2.050 3.933 1.483 1.00 0.00 N ATOM 300 CA LEU A 24 0.892 4.510 0.808 1.00 0.00 C ATOM 301 C LEU A 24 -0.059 5.152 1.813 1.00 0.00 C ATOM 302 O LEU A 24 -0.525 6.274 1.612 1.00 0.00 O ATOM 303 CB LEU A 24 0.156 3.435 0.007 1.00 0.00 C ATOM 304 CG LEU A 24 0.649 3.208 -1.423 1.00 0.00 C ATOM 305 CD1 LEU A 24 0.123 1.889 -1.966 1.00 0.00 C ATOM 306 CD2 LEU A 24 0.228 4.362 -2.321 1.00 0.00 C ATOM 0 H LEU A 24 1.996 2.924 1.625 1.00 0.00 H new ATOM 0 HA LEU A 24 1.247 5.283 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.229 2.492 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.901 3.699 -0.032 1.00 0.00 H new ATOM 0 HG LEU A 24 1.738 3.163 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.484 1.745 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.474 1.071 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.967 1.904 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.587 4.184 -3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.859 4.439 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.654 5.291 -1.943 1.00 0.00 H new ATOM 318 N ASP A 25 -0.342 4.434 2.894 1.00 0.00 N ATOM 319 CA ASP A 25 -1.236 4.936 3.932 1.00 0.00 C ATOM 320 C ASP A 25 -0.514 5.930 4.837 1.00 0.00 C ATOM 321 O ASP A 25 0.299 5.544 5.676 1.00 0.00 O ATOM 322 CB ASP A 25 -1.786 3.776 4.764 1.00 0.00 C ATOM 323 CG ASP A 25 -2.844 4.225 5.753 1.00 0.00 C ATOM 324 OD1 ASP A 25 -3.828 4.862 5.322 1.00 0.00 O ATOM 325 OD2 ASP A 25 -2.689 3.938 6.958 1.00 0.00 O ATOM 0 H ASP A 25 0.034 3.503 3.075 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.065 5.451 3.446 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.210 3.024 4.098 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.968 3.299 5.303 1.00 0.00 H new ATOM 330 N GLY A 26 -0.817 7.212 4.659 1.00 0.00 N ATOM 331 CA GLY A 26 -0.187 8.242 5.465 1.00 0.00 C ATOM 332 C GLY A 26 -0.033 9.551 4.716 1.00 0.00 C ATOM 333 O GLY A 26 -0.093 9.598 3.487 1.00 0.00 O ATOM 0 H GLY A 26 -1.487 7.556 3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.780 8.409 6.364 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.794 7.895 5.790 1.00 0.00 H new ATOM 337 N PRO A 27 0.171 10.645 5.465 1.00 0.00 N ATOM 338 CA PRO A 27 0.338 11.981 4.885 1.00 0.00 C ATOM 339 C PRO A 27 1.658 12.127 4.137 1.00 0.00 C ATOM 340 O PRO A 27 1.691 12.614 3.008 1.00 0.00 O ATOM 341 CB PRO A 27 0.310 12.903 6.106 1.00 0.00 C ATOM 342 CG PRO A 27 0.758 12.046 7.239 1.00 0.00 C ATOM 343 CD PRO A 27 0.255 10.661 6.935 1.00 0.00 C ATOM 0 HA PRO A 27 -0.432 12.205 4.147 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.972 13.759 5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.691 13.298 6.280 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.844 12.056 7.330 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.356 12.408 8.185 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.936 9.895 7.307 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.716 10.476 7.395 1.00 0.00 H new ATOM 351 N GLU A 28 2.745 11.703 4.775 1.00 0.00 N ATOM 352 CA GLU A 28 4.068 11.788 4.168 1.00 0.00 C ATOM 353 C GLU A 28 4.070 11.160 2.777 1.00 0.00 C ATOM 354 O GLU A 28 4.758 11.633 1.872 1.00 0.00 O ATOM 355 CB GLU A 28 5.106 11.095 5.054 1.00 0.00 C ATOM 356 CG GLU A 28 6.508 11.662 4.907 1.00 0.00 C ATOM 357 CD GLU A 28 7.580 10.694 5.369 1.00 0.00 C ATOM 358 OE1 GLU A 28 7.419 9.477 5.138 1.00 0.00 O ATOM 359 OE2 GLU A 28 8.578 11.153 5.962 1.00 0.00 O ATOM 0 H GLU A 28 2.735 11.298 5.711 1.00 0.00 H new ATOM 0 HA GLU A 28 4.328 12.842 4.072 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.796 11.179 6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.126 10.032 4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.683 11.921 3.863 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.585 12.585 5.482 1.00 0.00 H new ATOM 366 N ALA A 29 3.296 10.092 2.615 1.00 0.00 N ATOM 367 CA ALA A 29 3.207 9.400 1.336 1.00 0.00 C ATOM 368 C ALA A 29 3.142 10.391 0.179 1.00 0.00 C ATOM 369 O ALA A 29 2.099 10.990 -0.079 1.00 0.00 O ATOM 370 CB ALA A 29 1.994 8.482 1.315 1.00 0.00 C ATOM 0 H ALA A 29 2.721 9.687 3.354 1.00 0.00 H new ATOM 0 HA ALA A 29 4.107 8.797 1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.940 7.972 0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.082 7.744 2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.089 9.071 1.464 1.00 0.00 H new ATOM 376 N GLN A 30 4.264 10.559 -0.514 1.00 0.00 N ATOM 377 CA GLN A 30 4.333 11.480 -1.643 1.00 0.00 C ATOM 378 C GLN A 30 3.094 11.357 -2.523 1.00 0.00 C ATOM 379 O GLN A 30 2.729 12.292 -3.234 1.00 0.00 O ATOM 380 CB GLN A 30 5.590 11.210 -2.472 1.00 0.00 C ATOM 381 CG GLN A 30 5.620 11.960 -3.793 1.00 0.00 C ATOM 382 CD GLN A 30 6.956 11.844 -4.500 1.00 0.00 C ATOM 383 OE1 GLN A 30 7.616 12.847 -4.775 1.00 0.00 O ATOM 384 NE2 GLN A 30 7.364 10.616 -4.799 1.00 0.00 N ATOM 0 H GLN A 30 5.137 10.070 -0.314 1.00 0.00 H new ATOM 0 HA GLN A 30 4.377 12.495 -1.249 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.467 11.486 -1.887 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.662 10.140 -2.669 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.835 11.575 -4.443 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.398 13.012 -3.614 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.786 9.812 -4.553 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.255 10.476 -5.275 1.00 0.00 H new ATOM 393 N GLY A 31 2.449 10.195 -2.470 1.00 0.00 N ATOM 394 CA GLY A 31 1.257 9.971 -3.267 1.00 0.00 C ATOM 395 C GLY A 31 0.087 9.482 -2.436 1.00 0.00 C ATOM 396 O GLY A 31 -0.230 10.061 -1.397 1.00 0.00 O ATOM 0 H GLY A 31 2.731 9.405 -1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.980 10.898 -3.769 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.476 9.240 -4.045 1.00 0.00 H new ATOM 400 N SER A 32 -0.556 8.413 -2.895 1.00 0.00 N ATOM 401 CA SER A 32 -1.701 7.849 -2.190 1.00 0.00 C ATOM 402 C SER A 32 -2.136 6.532 -2.825 1.00 0.00 C ATOM 403 O SER A 32 -1.801 6.244 -3.974 1.00 0.00 O ATOM 404 CB SER A 32 -2.868 8.839 -2.194 1.00 0.00 C ATOM 405 OG SER A 32 -3.768 8.571 -1.133 1.00 0.00 O ATOM 0 H SER A 32 -0.304 7.920 -3.752 1.00 0.00 H new ATOM 0 HA SER A 32 -1.401 7.655 -1.160 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.486 9.856 -2.103 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.395 8.780 -3.146 1.00 0.00 H new ATOM 0 HG SER A 32 -4.504 9.218 -1.157 1.00 0.00 H new ATOM 411 N TRP A 33 -2.882 5.736 -2.068 1.00 0.00 N ATOM 412 CA TRP A 33 -3.363 4.448 -2.556 1.00 0.00 C ATOM 413 C TRP A 33 -4.637 4.618 -3.376 1.00 0.00 C ATOM 414 O TRP A 33 -4.816 3.966 -4.404 1.00 0.00 O ATOM 415 CB TRP A 33 -3.619 3.499 -1.384 1.00 0.00 C ATOM 416 CG TRP A 33 -4.694 3.977 -0.456 1.00 0.00 C ATOM 417 CD1 TRP A 33 -4.521 4.576 0.759 1.00 0.00 C ATOM 418 CD2 TRP A 33 -6.108 3.893 -0.667 1.00 0.00 C ATOM 419 NE1 TRP A 33 -5.742 4.870 1.316 1.00 0.00 N ATOM 420 CE2 TRP A 33 -6.731 4.462 0.461 1.00 0.00 C ATOM 421 CE3 TRP A 33 -6.907 3.395 -1.699 1.00 0.00 C ATOM 422 CZ2 TRP A 33 -8.116 4.544 0.583 1.00 0.00 C ATOM 423 CZ3 TRP A 33 -8.281 3.477 -1.576 1.00 0.00 C ATOM 424 CH2 TRP A 33 -8.874 4.048 -0.443 1.00 0.00 C ATOM 0 H TRP A 33 -3.167 5.959 -1.114 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.594 4.021 -3.199 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.894 2.519 -1.773 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -2.694 3.370 -0.821 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.565 4.787 1.215 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.888 5.319 2.220 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.459 2.954 -2.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -8.575 4.983 1.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -8.908 3.094 -2.367 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -9.951 4.098 -0.378 1.00 0.00 H new ATOM 435 N ALA A 34 -5.520 5.498 -2.914 1.00 0.00 N ATOM 436 CA ALA A 34 -6.777 5.754 -3.607 1.00 0.00 C ATOM 437 C ALA A 34 -6.561 5.865 -5.113 1.00 0.00 C ATOM 438 O ALA A 34 -7.025 5.021 -5.878 1.00 0.00 O ATOM 439 CB ALA A 34 -7.426 7.021 -3.070 1.00 0.00 C ATOM 0 H ALA A 34 -5.388 6.045 -2.063 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.443 4.911 -3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.364 7.201 -3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.624 6.905 -2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.756 7.867 -3.224 1.00 0.00 H new ATOM 445 N GLU A 35 -5.854 6.911 -5.529 1.00 0.00 N ATOM 446 CA GLU A 35 -5.579 7.131 -6.944 1.00 0.00 C ATOM 447 C GLU A 35 -4.894 5.915 -7.561 1.00 0.00 C ATOM 448 O GLU A 35 -5.270 5.459 -8.642 1.00 0.00 O ATOM 449 CB GLU A 35 -4.702 8.372 -7.129 1.00 0.00 C ATOM 450 CG GLU A 35 -4.584 8.824 -8.575 1.00 0.00 C ATOM 451 CD GLU A 35 -3.987 10.211 -8.705 1.00 0.00 C ATOM 452 OE1 GLU A 35 -2.813 10.391 -8.320 1.00 0.00 O ATOM 453 OE2 GLU A 35 -4.694 11.118 -9.193 1.00 0.00 O ATOM 0 H GLU A 35 -5.462 7.618 -4.907 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.530 7.288 -7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.112 9.188 -6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.705 8.164 -6.740 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.966 8.114 -9.125 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.571 8.813 -9.037 1.00 0.00 H new ATOM 460 N LEU A 36 -3.888 5.395 -6.868 1.00 0.00 N ATOM 461 CA LEU A 36 -3.149 4.232 -7.347 1.00 0.00 C ATOM 462 C LEU A 36 -4.102 3.125 -7.787 1.00 0.00 C ATOM 463 O LEU A 36 -4.014 2.626 -8.909 1.00 0.00 O ATOM 464 CB LEU A 36 -2.215 3.710 -6.253 1.00 0.00 C ATOM 465 CG LEU A 36 -1.505 2.389 -6.550 1.00 0.00 C ATOM 466 CD1 LEU A 36 -0.614 2.526 -7.775 1.00 0.00 C ATOM 467 CD2 LEU A 36 -0.694 1.937 -5.345 1.00 0.00 C ATOM 0 H LEU A 36 -3.565 5.760 -5.972 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.555 4.539 -8.208 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.458 4.470 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.793 3.591 -5.336 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.260 1.631 -6.759 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.117 1.576 -7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.221 2.803 -8.637 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.135 3.297 -7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.196 0.995 -5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.053 2.694 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.357 1.798 -4.491 1.00 0.00 H new ATOM 479 N ALA A 37 -5.014 2.748 -6.897 1.00 0.00 N ATOM 480 CA ALA A 37 -5.987 1.704 -7.196 1.00 0.00 C ATOM 481 C ALA A 37 -6.729 2.000 -8.495 1.00 0.00 C ATOM 482 O ALA A 37 -6.841 1.138 -9.366 1.00 0.00 O ATOM 483 CB ALA A 37 -6.971 1.555 -6.046 1.00 0.00 C ATOM 0 H ALA A 37 -5.100 3.150 -5.963 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.448 0.765 -7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.692 0.772 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.431 1.288 -5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.497 2.498 -5.892 1.00 0.00 H new ATOM 489 N GLU A 38 -7.233 3.223 -8.617 1.00 0.00 N ATOM 490 CA GLU A 38 -7.966 3.631 -9.810 1.00 0.00 C ATOM 491 C GLU A 38 -7.113 3.447 -11.062 1.00 0.00 C ATOM 492 O GLU A 38 -7.583 2.931 -12.076 1.00 0.00 O ATOM 493 CB GLU A 38 -8.407 5.091 -9.690 1.00 0.00 C ATOM 494 CG GLU A 38 -9.285 5.365 -8.481 1.00 0.00 C ATOM 495 CD GLU A 38 -10.132 6.612 -8.645 1.00 0.00 C ATOM 496 OE1 GLU A 38 -11.045 6.602 -9.497 1.00 0.00 O ATOM 497 OE2 GLU A 38 -9.882 7.598 -7.920 1.00 0.00 O ATOM 0 H GLU A 38 -7.148 3.949 -7.905 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.849 2.998 -9.897 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.522 5.726 -9.637 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.948 5.373 -10.593 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.936 4.508 -8.308 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.656 5.471 -7.597 1.00 0.00 H new ATOM 504 N ARG A 39 -5.857 3.873 -10.983 1.00 0.00 N ATOM 505 CA ARG A 39 -4.938 3.757 -12.109 1.00 0.00 C ATOM 506 C ARG A 39 -4.819 2.306 -12.567 1.00 0.00 C ATOM 507 O ARG A 39 -4.807 2.021 -13.765 1.00 0.00 O ATOM 508 CB ARG A 39 -3.559 4.297 -11.727 1.00 0.00 C ATOM 509 CG ARG A 39 -3.514 5.810 -11.588 1.00 0.00 C ATOM 510 CD ARG A 39 -2.111 6.350 -11.815 1.00 0.00 C ATOM 511 NE ARG A 39 -2.125 7.731 -12.290 1.00 0.00 N ATOM 512 CZ ARG A 39 -2.637 8.101 -13.458 1.00 0.00 C ATOM 513 NH1 ARG A 39 -3.175 7.198 -14.266 1.00 0.00 N ATOM 514 NH2 ARG A 39 -2.613 9.377 -13.820 1.00 0.00 N ATOM 0 H ARG A 39 -5.452 4.302 -10.151 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.337 4.348 -12.933 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.249 3.845 -10.785 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.836 3.988 -12.482 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.199 6.263 -12.305 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.858 6.095 -10.594 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.546 6.293 -10.885 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.594 5.722 -12.541 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.719 8.451 -11.692 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.196 6.216 -13.991 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.568 7.485 -15.163 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.201 10.075 -13.201 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.007 9.660 -14.717 1.00 0.00 H new ATOM 528 N LEU A 40 -4.731 1.394 -11.605 1.00 0.00 N ATOM 529 CA LEU A 40 -4.613 -0.028 -11.909 1.00 0.00 C ATOM 530 C LEU A 40 -5.922 -0.577 -12.466 1.00 0.00 C ATOM 531 O LEU A 40 -5.924 -1.391 -13.388 1.00 0.00 O ATOM 532 CB LEU A 40 -4.213 -0.806 -10.654 1.00 0.00 C ATOM 533 CG LEU A 40 -2.950 -0.324 -9.940 1.00 0.00 C ATOM 534 CD1 LEU A 40 -2.978 -0.729 -8.474 1.00 0.00 C ATOM 535 CD2 LEU A 40 -1.707 -0.875 -10.623 1.00 0.00 C ATOM 0 H LEU A 40 -4.739 1.613 -10.609 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.839 -0.149 -12.667 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.042 -0.768 -9.948 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.075 -1.852 -10.928 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.918 0.764 -9.995 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.071 -0.377 -7.982 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.848 -0.285 -7.991 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.035 -1.815 -8.398 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.818 -0.521 -10.101 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.732 -1.964 -10.600 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.679 -0.535 -11.658 1.00 0.00 H new ATOM 547 N GLY A 41 -7.037 -0.124 -11.899 1.00 0.00 N ATOM 548 CA GLY A 41 -8.338 -0.579 -12.353 1.00 0.00 C ATOM 549 C GLY A 41 -9.232 -1.014 -11.209 1.00 0.00 C ATOM 550 O GLY A 41 -10.332 -1.521 -11.429 1.00 0.00 O ATOM 0 H GLY A 41 -7.062 0.550 -11.134 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.827 0.222 -12.907 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.207 -1.411 -13.045 1.00 0.00 H new ATOM 554 N LEU A 42 -8.759 -0.817 -9.983 1.00 0.00 N ATOM 555 CA LEU A 42 -9.522 -1.194 -8.799 1.00 0.00 C ATOM 556 C LEU A 42 -10.302 -0.002 -8.252 1.00 0.00 C ATOM 557 O LEU A 42 -10.391 0.190 -7.039 1.00 0.00 O ATOM 558 CB LEU A 42 -8.589 -1.745 -7.720 1.00 0.00 C ATOM 559 CG LEU A 42 -7.614 -2.835 -8.169 1.00 0.00 C ATOM 560 CD1 LEU A 42 -6.357 -2.812 -7.314 1.00 0.00 C ATOM 561 CD2 LEU A 42 -8.279 -4.203 -8.107 1.00 0.00 C ATOM 0 H LEU A 42 -7.851 -0.398 -9.783 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.232 -1.969 -9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.012 -0.916 -7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.199 -2.143 -6.909 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.329 -2.638 -9.202 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.675 -3.594 -7.648 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.870 -1.841 -7.409 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.623 -2.984 -6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.571 -4.967 -8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.593 -4.409 -7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.149 -4.215 -8.763 1.00 0.00 H new ATOM 573 N ARG A 43 -10.867 0.794 -9.154 1.00 0.00 N ATOM 574 CA ARG A 43 -11.640 1.966 -8.761 1.00 0.00 C ATOM 575 C ARG A 43 -12.962 1.555 -8.121 1.00 0.00 C ATOM 576 O ARG A 43 -13.670 2.384 -7.547 1.00 0.00 O ATOM 577 CB ARG A 43 -11.904 2.859 -9.975 1.00 0.00 C ATOM 578 CG ARG A 43 -12.933 2.288 -10.938 1.00 0.00 C ATOM 579 CD ARG A 43 -13.445 3.349 -11.899 1.00 0.00 C ATOM 580 NE ARG A 43 -13.867 2.775 -13.174 1.00 0.00 N ATOM 581 CZ ARG A 43 -14.669 3.398 -14.031 1.00 0.00 C ATOM 582 NH1 ARG A 43 -15.132 4.608 -13.751 1.00 0.00 N ATOM 583 NH2 ARG A 43 -15.008 2.810 -15.171 1.00 0.00 N ATOM 0 H ARG A 43 -10.804 0.649 -10.162 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.059 2.525 -8.027 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.244 3.836 -9.630 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.967 3.018 -10.509 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.489 1.468 -11.502 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.768 1.872 -10.375 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -14.283 3.876 -11.444 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.662 4.087 -12.075 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.528 1.845 -13.420 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.873 5.063 -12.876 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -15.747 5.084 -14.411 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.653 1.879 -15.390 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.624 3.289 -15.828 1.00 0.00 H new ATOM 597 N SER A 44 -13.290 0.271 -8.223 1.00 0.00 N ATOM 598 CA SER A 44 -14.529 -0.249 -7.657 1.00 0.00 C ATOM 599 C SER A 44 -14.306 -0.762 -6.238 1.00 0.00 C ATOM 600 O SER A 44 -15.243 -0.854 -5.444 1.00 0.00 O ATOM 601 CB SER A 44 -15.084 -1.372 -8.536 1.00 0.00 C ATOM 602 OG SER A 44 -14.096 -2.356 -8.790 1.00 0.00 O ATOM 0 H SER A 44 -12.715 -0.428 -8.692 1.00 0.00 H new ATOM 0 HA SER A 44 -15.252 0.566 -7.620 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.942 -1.832 -8.046 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.440 -0.958 -9.479 1.00 0.00 H new ATOM 0 HG SER A 44 -14.476 -3.063 -9.352 1.00 0.00 H new ATOM 608 N LEU A 45 -13.058 -1.095 -5.926 1.00 0.00 N ATOM 609 CA LEU A 45 -12.709 -1.600 -4.602 1.00 0.00 C ATOM 610 C LEU A 45 -12.204 -0.473 -3.706 1.00 0.00 C ATOM 611 O LEU A 45 -11.776 -0.709 -2.576 1.00 0.00 O ATOM 612 CB LEU A 45 -11.645 -2.692 -4.716 1.00 0.00 C ATOM 613 CG LEU A 45 -12.101 -4.011 -5.342 1.00 0.00 C ATOM 614 CD1 LEU A 45 -10.931 -4.718 -6.007 1.00 0.00 C ATOM 615 CD2 LEU A 45 -12.740 -4.907 -4.291 1.00 0.00 C ATOM 0 H LEU A 45 -12.271 -1.025 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.607 -2.022 -4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.814 -2.302 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.259 -2.901 -3.718 1.00 0.00 H new ATOM 0 HG LEU A 45 -12.847 -3.790 -6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.274 -5.654 -6.447 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.517 -4.080 -6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.162 -4.927 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.058 -5.841 -4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.015 -5.120 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -13.605 -4.402 -3.860 1.00 0.00 H new ATOM 627 N VAL A 46 -12.260 0.753 -4.217 1.00 0.00 N ATOM 628 CA VAL A 46 -11.811 1.917 -3.463 1.00 0.00 C ATOM 629 C VAL A 46 -12.694 2.153 -2.242 1.00 0.00 C ATOM 630 O VAL A 46 -12.199 2.453 -1.155 1.00 0.00 O ATOM 631 CB VAL A 46 -11.811 3.186 -4.335 1.00 0.00 C ATOM 632 CG1 VAL A 46 -11.490 4.412 -3.495 1.00 0.00 C ATOM 633 CG2 VAL A 46 -10.822 3.042 -5.483 1.00 0.00 C ATOM 0 H VAL A 46 -12.612 0.966 -5.150 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.792 1.710 -3.138 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.808 3.316 -4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.495 5.299 -4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.239 4.522 -2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.506 4.295 -3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.834 3.947 -6.090 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.820 2.887 -5.083 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.102 2.188 -6.100 1.00 0.00 H new ATOM 643 N ASP A 47 -14.002 2.016 -2.429 1.00 0.00 N ATOM 644 CA ASP A 47 -14.954 2.213 -1.342 1.00 0.00 C ATOM 645 C ASP A 47 -14.962 1.011 -0.402 1.00 0.00 C ATOM 646 O ASP A 47 -15.451 1.094 0.725 1.00 0.00 O ATOM 647 CB ASP A 47 -16.358 2.447 -1.902 1.00 0.00 C ATOM 648 CG ASP A 47 -16.365 3.439 -3.049 1.00 0.00 C ATOM 649 OD1 ASP A 47 -16.432 4.656 -2.780 1.00 0.00 O ATOM 650 OD2 ASP A 47 -16.305 2.998 -4.216 1.00 0.00 O ATOM 0 H ASP A 47 -14.427 1.769 -3.323 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.645 3.092 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.773 1.499 -2.243 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.008 2.811 -1.106 1.00 0.00 H new ATOM 655 N THR A 48 -14.418 -0.106 -0.874 1.00 0.00 N ATOM 656 CA THR A 48 -14.365 -1.326 -0.077 1.00 0.00 C ATOM 657 C THR A 48 -13.179 -1.305 0.881 1.00 0.00 C ATOM 658 O THR A 48 -13.309 -1.661 2.053 1.00 0.00 O ATOM 659 CB THR A 48 -14.266 -2.577 -0.970 1.00 0.00 C ATOM 660 OG1 THR A 48 -15.337 -2.585 -1.921 1.00 0.00 O ATOM 661 CG2 THR A 48 -14.315 -3.845 -0.132 1.00 0.00 C ATOM 0 H THR A 48 -14.008 -0.191 -1.804 1.00 0.00 H new ATOM 0 HA THR A 48 -15.291 -1.370 0.496 1.00 0.00 H new ATOM 0 HB THR A 48 -13.313 -2.546 -1.497 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.267 -3.382 -2.486 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.243 -4.715 -0.784 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.482 -3.849 0.571 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.255 -3.881 0.419 1.00 0.00 H new ATOM 669 N TYR A 49 -12.024 -0.885 0.377 1.00 0.00 N ATOM 670 CA TYR A 49 -10.815 -0.820 1.188 1.00 0.00 C ATOM 671 C TYR A 49 -10.989 0.156 2.348 1.00 0.00 C ATOM 672 O TYR A 49 -10.956 -0.237 3.515 1.00 0.00 O ATOM 673 CB TYR A 49 -9.621 -0.399 0.329 1.00 0.00 C ATOM 674 CG TYR A 49 -9.366 -1.319 -0.844 1.00 0.00 C ATOM 675 CD1 TYR A 49 -9.534 -2.693 -0.724 1.00 0.00 C ATOM 676 CD2 TYR A 49 -8.955 -0.814 -2.071 1.00 0.00 C ATOM 677 CE1 TYR A 49 -9.301 -3.537 -1.792 1.00 0.00 C ATOM 678 CE2 TYR A 49 -8.722 -1.650 -3.146 1.00 0.00 C ATOM 679 CZ TYR A 49 -8.896 -3.011 -3.001 1.00 0.00 C ATOM 680 OH TYR A 49 -8.662 -3.847 -4.069 1.00 0.00 O ATOM 0 H TYR A 49 -11.900 -0.584 -0.590 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.629 -1.813 1.596 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.790 0.612 -0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.729 -0.364 0.954 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.852 -3.108 0.221 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.815 0.251 -2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.435 -4.603 -1.681 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.406 -1.241 -4.094 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.826 -4.337 -3.924 1.00 0.00 H new ATOM 690 N ARG A 50 -11.176 1.430 2.019 1.00 0.00 N ATOM 691 CA ARG A 50 -11.355 2.463 3.032 1.00 0.00 C ATOM 692 C ARG A 50 -12.283 1.980 4.142 1.00 0.00 C ATOM 693 O ARG A 50 -12.159 2.397 5.293 1.00 0.00 O ATOM 694 CB ARG A 50 -11.919 3.736 2.399 1.00 0.00 C ATOM 695 CG ARG A 50 -13.403 3.652 2.082 1.00 0.00 C ATOM 696 CD ARG A 50 -13.903 4.923 1.413 1.00 0.00 C ATOM 697 NE ARG A 50 -15.341 4.882 1.163 1.00 0.00 N ATOM 698 CZ ARG A 50 -15.982 5.768 0.409 1.00 0.00 C ATOM 699 NH1 ARG A 50 -15.315 6.759 -0.166 1.00 0.00 N ATOM 700 NH2 ARG A 50 -17.292 5.663 0.229 1.00 0.00 N ATOM 0 H ARG A 50 -11.207 1.772 1.058 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.380 2.683 3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.747 4.574 3.074 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.371 3.949 1.481 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.589 2.799 1.430 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.963 3.479 3.001 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.669 5.781 2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.375 5.068 0.470 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.883 4.132 1.591 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.308 6.842 -0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.809 7.438 -0.745 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.808 4.901 0.670 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.783 6.344 -0.350 1.00 0.00 H new ATOM 714 N GLN A 51 -13.213 1.099 3.788 1.00 0.00 N ATOM 715 CA GLN A 51 -14.163 0.560 4.754 1.00 0.00 C ATOM 716 C GLN A 51 -13.483 -0.433 5.691 1.00 0.00 C ATOM 717 O GLN A 51 -13.755 -0.457 6.892 1.00 0.00 O ATOM 718 CB GLN A 51 -15.329 -0.117 4.032 1.00 0.00 C ATOM 719 CG GLN A 51 -16.437 0.843 3.631 1.00 0.00 C ATOM 720 CD GLN A 51 -17.617 0.138 2.991 1.00 0.00 C ATOM 721 OE1 GLN A 51 -18.052 -0.916 3.456 1.00 0.00 O ATOM 722 NE2 GLN A 51 -18.142 0.717 1.918 1.00 0.00 N ATOM 0 H GLN A 51 -13.329 0.743 2.839 1.00 0.00 H new ATOM 0 HA GLN A 51 -14.546 1.389 5.349 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.952 -0.616 3.140 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -15.746 -0.890 4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.778 1.387 4.512 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -16.039 1.581 2.935 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -17.750 1.591 1.567 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -18.938 0.288 1.445 1.00 0.00 H new ATOM 731 N THR A 52 -12.596 -1.252 5.134 1.00 0.00 N ATOM 732 CA THR A 52 -11.878 -2.248 5.919 1.00 0.00 C ATOM 733 C THR A 52 -10.870 -1.589 6.854 1.00 0.00 C ATOM 734 O THR A 52 -10.722 -0.367 6.864 1.00 0.00 O ATOM 735 CB THR A 52 -11.140 -3.252 5.013 1.00 0.00 C ATOM 736 OG1 THR A 52 -10.317 -2.551 4.074 1.00 0.00 O ATOM 737 CG2 THR A 52 -12.128 -4.136 4.267 1.00 0.00 C ATOM 0 H THR A 52 -12.358 -1.245 4.142 1.00 0.00 H new ATOM 0 HA THR A 52 -12.623 -2.782 6.510 1.00 0.00 H new ATOM 0 HB THR A 52 -10.515 -3.884 5.643 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.401 -1.586 4.222 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.583 -4.837 3.634 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.734 -4.690 4.984 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.776 -3.516 3.648 1.00 0.00 H new ATOM 745 N THR A 53 -10.177 -2.407 7.640 1.00 0.00 N ATOM 746 CA THR A 53 -9.183 -1.904 8.580 1.00 0.00 C ATOM 747 C THR A 53 -7.853 -1.638 7.884 1.00 0.00 C ATOM 748 O THR A 53 -7.255 -0.575 8.052 1.00 0.00 O ATOM 749 CB THR A 53 -8.954 -2.892 9.739 1.00 0.00 C ATOM 750 OG1 THR A 53 -10.204 -3.225 10.353 1.00 0.00 O ATOM 751 CG2 THR A 53 -8.014 -2.300 10.778 1.00 0.00 C ATOM 0 H THR A 53 -10.286 -3.421 7.644 1.00 0.00 H new ATOM 0 HA THR A 53 -9.574 -0.969 8.982 1.00 0.00 H new ATOM 0 HB THR A 53 -8.498 -3.795 9.333 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.050 -3.855 11.088 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.868 -3.016 11.586 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.054 -2.076 10.314 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.446 -1.383 11.179 1.00 0.00 H new ATOM 759 N SER A 54 -7.396 -2.610 7.101 1.00 0.00 N ATOM 760 CA SER A 54 -6.134 -2.481 6.381 1.00 0.00 C ATOM 761 C SER A 54 -6.372 -2.417 4.875 1.00 0.00 C ATOM 762 O SER A 54 -6.226 -3.405 4.155 1.00 0.00 O ATOM 763 CB SER A 54 -5.211 -3.655 6.713 1.00 0.00 C ATOM 764 OG SER A 54 -4.765 -3.588 8.057 1.00 0.00 O ATOM 0 H SER A 54 -7.880 -3.495 6.949 1.00 0.00 H new ATOM 0 HA SER A 54 -5.657 -1.553 6.696 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.738 -4.595 6.548 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.353 -3.649 6.041 1.00 0.00 H new ATOM 0 HG SER A 54 -4.178 -4.350 8.245 1.00 0.00 H new ATOM 770 N PRO A 55 -6.746 -1.226 4.386 1.00 0.00 N ATOM 771 CA PRO A 55 -7.012 -1.002 2.962 1.00 0.00 C ATOM 772 C PRO A 55 -5.742 -1.058 2.120 1.00 0.00 C ATOM 773 O PRO A 55 -5.802 -1.200 0.898 1.00 0.00 O ATOM 774 CB PRO A 55 -7.613 0.405 2.930 1.00 0.00 C ATOM 775 CG PRO A 55 -7.077 1.074 4.148 1.00 0.00 C ATOM 776 CD PRO A 55 -6.939 -0.005 5.186 1.00 0.00 C ATOM 0 HA PRO A 55 -7.665 -1.768 2.544 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.323 0.939 2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.702 0.371 2.944 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.115 1.544 3.944 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.750 1.860 4.490 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.093 0.180 5.848 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.826 -0.073 5.815 1.00 0.00 H new ATOM 784 N SER A 56 -4.594 -0.947 2.780 1.00 0.00 N ATOM 785 CA SER A 56 -3.309 -0.982 2.091 1.00 0.00 C ATOM 786 C SER A 56 -2.915 -2.415 1.749 1.00 0.00 C ATOM 787 O SER A 56 -2.663 -2.742 0.590 1.00 0.00 O ATOM 788 CB SER A 56 -2.226 -0.335 2.955 1.00 0.00 C ATOM 789 OG SER A 56 -2.636 0.940 3.418 1.00 0.00 O ATOM 0 H SER A 56 -4.527 -0.832 3.791 1.00 0.00 H new ATOM 0 HA SER A 56 -3.407 -0.420 1.162 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.002 -0.979 3.805 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.306 -0.237 2.378 1.00 0.00 H new ATOM 0 HG SER A 56 -2.553 1.594 2.693 1.00 0.00 H new ATOM 795 N GLY A 57 -2.863 -3.268 2.769 1.00 0.00 N ATOM 796 CA GLY A 57 -2.499 -4.656 2.557 1.00 0.00 C ATOM 797 C GLY A 57 -3.485 -5.385 1.666 1.00 0.00 C ATOM 798 O GLY A 57 -3.126 -6.348 0.989 1.00 0.00 O ATOM 0 H GLY A 57 -3.067 -3.022 3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.506 -4.704 2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.440 -5.164 3.520 1.00 0.00 H new ATOM 802 N SER A 58 -4.733 -4.926 1.668 1.00 0.00 N ATOM 803 CA SER A 58 -5.776 -5.545 0.858 1.00 0.00 C ATOM 804 C SER A 58 -5.751 -5.002 -0.567 1.00 0.00 C ATOM 805 O SER A 58 -6.294 -5.614 -1.487 1.00 0.00 O ATOM 806 CB SER A 58 -7.150 -5.301 1.485 1.00 0.00 C ATOM 807 OG SER A 58 -7.280 -3.960 1.923 1.00 0.00 O ATOM 0 H SER A 58 -5.046 -4.128 2.221 1.00 0.00 H new ATOM 0 HA SER A 58 -5.586 -6.618 0.823 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.930 -5.527 0.758 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.294 -5.978 2.327 1.00 0.00 H new ATOM 0 HG SER A 58 -7.171 -3.922 2.896 1.00 0.00 H new ATOM 813 N LEU A 59 -5.117 -3.847 -0.742 1.00 0.00 N ATOM 814 CA LEU A 59 -5.020 -3.219 -2.055 1.00 0.00 C ATOM 815 C LEU A 59 -4.066 -3.993 -2.960 1.00 0.00 C ATOM 816 O LEU A 59 -4.344 -4.198 -4.143 1.00 0.00 O ATOM 817 CB LEU A 59 -4.547 -1.771 -1.916 1.00 0.00 C ATOM 818 CG LEU A 59 -4.006 -1.117 -3.188 1.00 0.00 C ATOM 819 CD1 LEU A 59 -5.108 -0.977 -4.227 1.00 0.00 C ATOM 820 CD2 LEU A 59 -3.395 0.240 -2.870 1.00 0.00 C ATOM 0 H LEU A 59 -4.663 -3.327 0.009 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.011 -3.229 -2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.380 -1.171 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.769 -1.736 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.226 -1.758 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.704 -0.510 -5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.501 -1.963 -4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.910 -0.358 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.015 0.692 -3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.155 0.888 -2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.577 0.113 -2.161 1.00 0.00 H new ATOM 832 N LEU A 60 -2.942 -4.422 -2.397 1.00 0.00 N ATOM 833 CA LEU A 60 -1.947 -5.175 -3.152 1.00 0.00 C ATOM 834 C LEU A 60 -2.427 -6.599 -3.415 1.00 0.00 C ATOM 835 O LEU A 60 -2.667 -6.982 -4.560 1.00 0.00 O ATOM 836 CB LEU A 60 -0.618 -5.205 -2.394 1.00 0.00 C ATOM 837 CG LEU A 60 0.107 -3.865 -2.259 1.00 0.00 C ATOM 838 CD1 LEU A 60 0.924 -3.828 -0.977 1.00 0.00 C ATOM 839 CD2 LEU A 60 0.998 -3.617 -3.468 1.00 0.00 C ATOM 0 H LEU A 60 -2.697 -4.261 -1.420 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.801 -4.677 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.801 -5.599 -1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.048 -5.907 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.640 -3.072 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.433 -2.867 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.263 -3.960 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.662 -4.630 -0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.506 -2.659 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.738 -4.414 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.389 -3.600 -4.372 1.00 0.00 H new ATOM 851 N ARG A 61 -2.566 -7.378 -2.348 1.00 0.00 N ATOM 852 CA ARG A 61 -3.018 -8.759 -2.463 1.00 0.00 C ATOM 853 C ARG A 61 -4.143 -8.879 -3.488 1.00 0.00 C ATOM 854 O ARG A 61 -4.329 -9.930 -4.100 1.00 0.00 O ATOM 855 CB ARG A 61 -3.494 -9.278 -1.105 1.00 0.00 C ATOM 856 CG ARG A 61 -4.467 -8.345 -0.403 1.00 0.00 C ATOM 857 CD ARG A 61 -5.908 -8.662 -0.772 1.00 0.00 C ATOM 858 NE ARG A 61 -6.346 -9.940 -0.217 1.00 0.00 N ATOM 859 CZ ARG A 61 -6.594 -10.135 1.074 1.00 0.00 C ATOM 860 NH1 ARG A 61 -6.448 -9.139 1.938 1.00 0.00 N ATOM 861 NH2 ARG A 61 -6.989 -11.327 1.503 1.00 0.00 N ATOM 0 H ARG A 61 -2.372 -7.076 -1.393 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.176 -9.363 -2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.970 -10.249 -1.243 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.628 -9.436 -0.462 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.340 -8.430 0.676 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.240 -7.313 -0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.559 -7.867 -0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.008 -8.685 -1.857 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.468 -10.726 -0.855 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.145 -8.221 1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.639 -9.291 2.928 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.103 -12.095 0.842 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.179 -11.475 2.494 1.00 0.00 H new ATOM 875 N SER A 62 -4.890 -7.794 -3.669 1.00 0.00 N ATOM 876 CA SER A 62 -5.999 -7.779 -4.615 1.00 0.00 C ATOM 877 C SER A 62 -5.510 -7.430 -6.018 1.00 0.00 C ATOM 878 O SER A 62 -5.888 -8.074 -6.997 1.00 0.00 O ATOM 879 CB SER A 62 -7.064 -6.775 -4.170 1.00 0.00 C ATOM 880 OG SER A 62 -6.509 -5.480 -4.010 1.00 0.00 O ATOM 0 H SER A 62 -4.747 -6.914 -3.173 1.00 0.00 H new ATOM 0 HA SER A 62 -6.438 -8.776 -4.638 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.867 -6.742 -4.906 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.507 -7.103 -3.230 1.00 0.00 H new ATOM 0 HG SER A 62 -6.472 -5.256 -3.057 1.00 0.00 H new ATOM 886 N TYR A 63 -4.669 -6.406 -6.107 1.00 0.00 N ATOM 887 CA TYR A 63 -4.130 -5.969 -7.390 1.00 0.00 C ATOM 888 C TYR A 63 -3.599 -7.154 -8.190 1.00 0.00 C ATOM 889 O TYR A 63 -3.567 -7.121 -9.419 1.00 0.00 O ATOM 890 CB TYR A 63 -3.016 -4.943 -7.175 1.00 0.00 C ATOM 891 CG TYR A 63 -2.230 -4.631 -8.429 1.00 0.00 C ATOM 892 CD1 TYR A 63 -2.852 -4.079 -9.542 1.00 0.00 C ATOM 893 CD2 TYR A 63 -0.867 -4.890 -8.501 1.00 0.00 C ATOM 894 CE1 TYR A 63 -2.139 -3.793 -10.690 1.00 0.00 C ATOM 895 CE2 TYR A 63 -0.146 -4.606 -9.645 1.00 0.00 C ATOM 896 CZ TYR A 63 -0.786 -4.058 -10.736 1.00 0.00 C ATOM 897 OH TYR A 63 -0.072 -3.774 -11.878 1.00 0.00 O ATOM 0 H TYR A 63 -4.346 -5.863 -5.307 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.938 -5.505 -7.956 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.452 -4.021 -6.791 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.333 -5.315 -6.411 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.911 -3.870 -9.509 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.363 -5.321 -7.649 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.638 -3.364 -11.547 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.913 -4.812 -9.684 1.00 0.00 H new ATOM 0 HH TYR A 63 0.575 -4.491 -12.046 1.00 0.00 H new ATOM 907 N GLU A 64 -3.184 -8.200 -7.482 1.00 0.00 N ATOM 908 CA GLU A 64 -2.654 -9.396 -8.126 1.00 0.00 C ATOM 909 C GLU A 64 -3.772 -10.384 -8.442 1.00 0.00 C ATOM 910 O GLU A 64 -3.768 -11.029 -9.491 1.00 0.00 O ATOM 911 CB GLU A 64 -1.607 -10.062 -7.231 1.00 0.00 C ATOM 912 CG GLU A 64 -2.188 -11.092 -6.276 1.00 0.00 C ATOM 913 CD GLU A 64 -1.119 -11.847 -5.511 1.00 0.00 C ATOM 914 OE1 GLU A 64 -0.235 -11.191 -4.921 1.00 0.00 O ATOM 915 OE2 GLU A 64 -1.166 -13.095 -5.503 1.00 0.00 O ATOM 0 H GLU A 64 -3.205 -8.243 -6.463 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.183 -9.096 -9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.858 -10.544 -7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.093 -9.293 -6.654 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.851 -10.593 -5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.796 -11.801 -6.838 1.00 0.00 H new ATOM 922 N LEU A 65 -4.728 -10.499 -7.526 1.00 0.00 N ATOM 923 CA LEU A 65 -5.854 -11.410 -7.706 1.00 0.00 C ATOM 924 C LEU A 65 -6.722 -10.977 -8.883 1.00 0.00 C ATOM 925 O LEU A 65 -7.240 -11.812 -9.625 1.00 0.00 O ATOM 926 CB LEU A 65 -6.696 -11.468 -6.430 1.00 0.00 C ATOM 927 CG LEU A 65 -6.057 -12.175 -5.235 1.00 0.00 C ATOM 928 CD1 LEU A 65 -6.815 -11.854 -3.956 1.00 0.00 C ATOM 929 CD2 LEU A 65 -6.012 -13.679 -5.467 1.00 0.00 C ATOM 0 H LEU A 65 -4.746 -9.973 -6.652 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.457 -12.403 -7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.942 -10.448 -6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.636 -11.968 -6.662 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.035 -11.813 -5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.345 -12.366 -3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.795 -10.778 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.848 -12.187 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.554 -14.166 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.026 -14.057 -5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.424 -13.892 -6.360 1.00 0.00 H new ATOM 941 N ALA A 66 -6.874 -9.667 -9.049 1.00 0.00 N ATOM 942 CA ALA A 66 -7.676 -9.124 -10.139 1.00 0.00 C ATOM 943 C ALA A 66 -7.044 -9.432 -11.492 1.00 0.00 C ATOM 944 O ALA A 66 -7.742 -9.599 -12.491 1.00 0.00 O ATOM 945 CB ALA A 66 -7.852 -7.623 -9.966 1.00 0.00 C ATOM 0 H ALA A 66 -6.453 -8.963 -8.443 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.656 -9.600 -10.109 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.453 -7.230 -10.786 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.355 -7.422 -9.020 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.875 -7.140 -9.968 1.00 0.00 H new ATOM 951 N GLY A 67 -5.716 -9.507 -11.517 1.00 0.00 N ATOM 952 CA GLY A 67 -5.013 -9.794 -12.753 1.00 0.00 C ATOM 953 C GLY A 67 -3.918 -8.787 -13.045 1.00 0.00 C ATOM 954 O GLY A 67 -3.582 -8.543 -14.203 1.00 0.00 O ATOM 0 H GLY A 67 -5.116 -9.374 -10.703 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.579 -10.792 -12.697 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.725 -9.802 -13.579 1.00 0.00 H new ATOM 958 N GLY A 68 -3.360 -8.199 -11.990 1.00 0.00 N ATOM 959 CA GLY A 68 -2.304 -7.218 -12.160 1.00 0.00 C ATOM 960 C GLY A 68 -0.926 -7.804 -11.926 1.00 0.00 C ATOM 961 O GLY A 68 -0.784 -8.823 -11.251 1.00 0.00 O ATOM 0 H GLY A 68 -3.621 -8.385 -11.022 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.354 -6.806 -13.168 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.466 -6.391 -11.469 1.00 0.00 H new ATOM 965 N ASP A 69 0.092 -7.159 -12.485 1.00 0.00 N ATOM 966 CA ASP A 69 1.466 -7.622 -12.333 1.00 0.00 C ATOM 967 C ASP A 69 2.334 -6.547 -11.686 1.00 0.00 C ATOM 968 O ASP A 69 1.919 -5.394 -11.556 1.00 0.00 O ATOM 969 CB ASP A 69 2.048 -8.014 -13.693 1.00 0.00 C ATOM 970 CG ASP A 69 1.511 -7.155 -14.821 1.00 0.00 C ATOM 971 OD1 ASP A 69 0.279 -7.142 -15.021 1.00 0.00 O ATOM 972 OD2 ASP A 69 2.324 -6.497 -15.505 1.00 0.00 O ATOM 0 H ASP A 69 -0.009 -6.314 -13.047 1.00 0.00 H new ATOM 0 HA ASP A 69 1.458 -8.497 -11.683 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.134 -7.927 -13.659 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.818 -9.060 -13.896 1.00 0.00 H new ATOM 977 N LEU A 70 3.539 -6.931 -11.281 1.00 0.00 N ATOM 978 CA LEU A 70 4.466 -6.001 -10.646 1.00 0.00 C ATOM 979 C LEU A 70 4.672 -4.762 -11.511 1.00 0.00 C ATOM 980 O LEU A 70 4.376 -3.643 -11.092 1.00 0.00 O ATOM 981 CB LEU A 70 5.809 -6.685 -10.387 1.00 0.00 C ATOM 982 CG LEU A 70 6.748 -5.972 -9.412 1.00 0.00 C ATOM 983 CD1 LEU A 70 6.184 -6.012 -8.001 1.00 0.00 C ATOM 984 CD2 LEU A 70 8.134 -6.600 -9.452 1.00 0.00 C ATOM 0 H LEU A 70 3.897 -7.881 -11.381 1.00 0.00 H new ATOM 0 HA LEU A 70 4.035 -5.690 -9.695 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.616 -7.688 -10.007 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.326 -6.799 -11.340 1.00 0.00 H new ATOM 0 HG LEU A 70 6.834 -4.929 -9.717 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.866 -5.500 -7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.213 -5.516 -7.983 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.068 -7.049 -7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.789 -6.081 -8.753 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.065 -7.651 -9.173 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.542 -6.518 -10.460 1.00 0.00 H new ATOM 996 N ALA A 71 5.179 -4.969 -12.722 1.00 0.00 N ATOM 997 CA ALA A 71 5.420 -3.870 -13.648 1.00 0.00 C ATOM 998 C ALA A 71 4.253 -2.889 -13.652 1.00 0.00 C ATOM 999 O ALA A 71 4.443 -1.682 -13.515 1.00 0.00 O ATOM 1000 CB ALA A 71 5.667 -4.406 -15.050 1.00 0.00 C ATOM 0 H ALA A 71 5.431 -5.889 -13.085 1.00 0.00 H new ATOM 0 HA ALA A 71 6.309 -3.334 -13.314 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.846 -3.574 -15.731 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.538 -5.061 -15.041 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.794 -4.968 -15.384 1.00 0.00 H new ATOM 1006 N GLY A 72 3.043 -3.417 -13.811 1.00 0.00 N ATOM 1007 CA GLY A 72 1.862 -2.573 -13.830 1.00 0.00 C ATOM 1008 C GLY A 72 1.827 -1.598 -12.671 1.00 0.00 C ATOM 1009 O GLY A 72 1.585 -0.405 -12.860 1.00 0.00 O ATOM 0 H GLY A 72 2.859 -4.414 -13.927 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.831 -2.019 -14.768 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.971 -3.200 -13.800 1.00 0.00 H new ATOM 1013 N LEU A 73 2.068 -2.104 -11.466 1.00 0.00 N ATOM 1014 CA LEU A 73 2.062 -1.269 -10.270 1.00 0.00 C ATOM 1015 C LEU A 73 3.173 -0.226 -10.328 1.00 0.00 C ATOM 1016 O LEU A 73 2.957 0.945 -10.013 1.00 0.00 O ATOM 1017 CB LEU A 73 2.224 -2.134 -9.019 1.00 0.00 C ATOM 1018 CG LEU A 73 1.852 -1.472 -7.692 1.00 0.00 C ATOM 1019 CD1 LEU A 73 0.363 -1.166 -7.647 1.00 0.00 C ATOM 1020 CD2 LEU A 73 2.252 -2.360 -6.523 1.00 0.00 C ATOM 0 H LEU A 73 2.270 -3.088 -11.292 1.00 0.00 H new ATOM 0 HA LEU A 73 1.104 -0.750 -10.224 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.614 -3.029 -9.139 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.262 -2.462 -8.960 1.00 0.00 H new ATOM 0 HG LEU A 73 2.397 -0.532 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.117 -0.695 -6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.105 -0.491 -8.463 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.202 -2.092 -7.750 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.980 -1.873 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.734 -3.316 -6.599 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.329 -2.528 -6.545 1.00 0.00 H new ATOM 1032 N LEU A 74 4.362 -0.658 -10.735 1.00 0.00 N ATOM 1033 CA LEU A 74 5.508 0.240 -10.837 1.00 0.00 C ATOM 1034 C LEU A 74 5.194 1.422 -11.749 1.00 0.00 C ATOM 1035 O LEU A 74 5.631 2.544 -11.497 1.00 0.00 O ATOM 1036 CB LEU A 74 6.727 -0.517 -11.366 1.00 0.00 C ATOM 1037 CG LEU A 74 7.173 -1.729 -10.545 1.00 0.00 C ATOM 1038 CD1 LEU A 74 8.152 -2.580 -11.339 1.00 0.00 C ATOM 1039 CD2 LEU A 74 7.795 -1.282 -9.230 1.00 0.00 C ATOM 0 H LEU A 74 4.558 -1.623 -11.000 1.00 0.00 H new ATOM 0 HA LEU A 74 5.729 0.623 -9.841 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.510 -0.851 -12.381 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.562 0.180 -11.431 1.00 0.00 H new ATOM 0 HG LEU A 74 6.296 -2.336 -10.321 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.458 -3.437 -10.739 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.672 -2.929 -12.253 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.028 -1.984 -11.594 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.106 -2.157 -8.659 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.662 -0.653 -9.433 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.063 -0.715 -8.655 1.00 0.00 H new ATOM 1051 N GLU A 75 4.432 1.161 -12.807 1.00 0.00 N ATOM 1052 CA GLU A 75 4.060 2.204 -13.754 1.00 0.00 C ATOM 1053 C GLU A 75 3.077 3.187 -13.123 1.00 0.00 C ATOM 1054 O GLU A 75 3.238 4.401 -13.237 1.00 0.00 O ATOM 1055 CB GLU A 75 3.444 1.586 -15.011 1.00 0.00 C ATOM 1056 CG GLU A 75 2.502 2.522 -15.751 1.00 0.00 C ATOM 1057 CD GLU A 75 2.438 2.230 -17.238 1.00 0.00 C ATOM 1058 OE1 GLU A 75 3.469 2.405 -17.921 1.00 0.00 O ATOM 1059 OE2 GLU A 75 1.359 1.825 -17.717 1.00 0.00 O ATOM 0 H GLU A 75 4.061 0.237 -13.029 1.00 0.00 H new ATOM 0 HA GLU A 75 4.964 2.747 -14.030 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.244 1.282 -15.686 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.901 0.683 -14.733 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.502 2.437 -15.325 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.826 3.552 -15.600 1.00 0.00 H new ATOM 1066 N ALA A 76 2.058 2.651 -12.459 1.00 0.00 N ATOM 1067 CA ALA A 76 1.050 3.479 -11.809 1.00 0.00 C ATOM 1068 C ALA A 76 1.680 4.387 -10.758 1.00 0.00 C ATOM 1069 O ALA A 76 1.429 5.593 -10.734 1.00 0.00 O ATOM 1070 CB ALA A 76 -0.024 2.605 -11.178 1.00 0.00 C ATOM 0 H ALA A 76 1.909 1.647 -12.357 1.00 0.00 H new ATOM 0 HA ALA A 76 0.589 4.111 -12.569 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.770 3.237 -10.696 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.503 2.002 -11.950 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.430 1.949 -10.435 1.00 0.00 H new ATOM 1076 N LEU A 77 2.499 3.802 -9.891 1.00 0.00 N ATOM 1077 CA LEU A 77 3.165 4.559 -8.837 1.00 0.00 C ATOM 1078 C LEU A 77 3.950 5.730 -9.420 1.00 0.00 C ATOM 1079 O LEU A 77 3.772 6.876 -9.007 1.00 0.00 O ATOM 1080 CB LEU A 77 4.102 3.648 -8.042 1.00 0.00 C ATOM 1081 CG LEU A 77 3.441 2.476 -7.315 1.00 0.00 C ATOM 1082 CD1 LEU A 77 4.480 1.438 -6.921 1.00 0.00 C ATOM 1083 CD2 LEU A 77 2.683 2.966 -6.090 1.00 0.00 C ATOM 0 H LEU A 77 2.718 2.806 -9.897 1.00 0.00 H new ATOM 0 HA LEU A 77 2.400 4.955 -8.169 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.854 3.250 -8.724 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.629 4.255 -7.306 1.00 0.00 H new ATOM 0 HG LEU A 77 2.729 2.008 -7.994 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.991 0.612 -6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.978 1.064 -7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.217 1.894 -6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.219 2.118 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.375 3.460 -5.408 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.911 3.671 -6.398 1.00 0.00 H new ATOM 1095 N SER A 78 4.817 5.433 -10.383 1.00 0.00 N ATOM 1096 CA SER A 78 5.630 6.461 -11.022 1.00 0.00 C ATOM 1097 C SER A 78 4.761 7.617 -11.510 1.00 0.00 C ATOM 1098 O SER A 78 4.960 8.766 -11.116 1.00 0.00 O ATOM 1099 CB SER A 78 6.412 5.867 -12.195 1.00 0.00 C ATOM 1100 OG SER A 78 7.441 5.007 -11.738 1.00 0.00 O ATOM 0 H SER A 78 4.974 4.490 -10.737 1.00 0.00 H new ATOM 0 HA SER A 78 6.333 6.844 -10.282 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.734 5.314 -12.846 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.843 6.670 -12.793 1.00 0.00 H new ATOM 0 HG SER A 78 7.081 4.104 -11.614 1.00 0.00 H new ATOM 1106 N ASP A 79 3.797 7.302 -12.368 1.00 0.00 N ATOM 1107 CA ASP A 79 2.896 8.313 -12.910 1.00 0.00 C ATOM 1108 C ASP A 79 2.407 9.250 -11.810 1.00 0.00 C ATOM 1109 O ASP A 79 2.290 10.458 -12.016 1.00 0.00 O ATOM 1110 CB ASP A 79 1.703 7.648 -13.598 1.00 0.00 C ATOM 1111 CG ASP A 79 1.056 8.547 -14.633 1.00 0.00 C ATOM 1112 OD1 ASP A 79 0.392 9.526 -14.235 1.00 0.00 O ATOM 1113 OD2 ASP A 79 1.214 8.270 -15.841 1.00 0.00 O ATOM 0 H ASP A 79 3.619 6.355 -12.703 1.00 0.00 H new ATOM 0 HA ASP A 79 3.448 8.900 -13.644 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.031 6.726 -14.077 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.962 7.371 -12.848 1.00 0.00 H new ATOM 1118 N MET A 80 2.121 8.685 -10.641 1.00 0.00 N ATOM 1119 CA MET A 80 1.645 9.470 -9.509 1.00 0.00 C ATOM 1120 C MET A 80 2.792 10.236 -8.857 1.00 0.00 C ATOM 1121 O MET A 80 2.608 11.348 -8.364 1.00 0.00 O ATOM 1122 CB MET A 80 0.972 8.562 -8.478 1.00 0.00 C ATOM 1123 CG MET A 80 -0.225 7.803 -9.026 1.00 0.00 C ATOM 1124 SD MET A 80 -0.843 6.557 -7.879 1.00 0.00 S ATOM 1125 CE MET A 80 -1.020 7.530 -6.386 1.00 0.00 C ATOM 0 H MET A 80 2.211 7.686 -10.454 1.00 0.00 H new ATOM 0 HA MET A 80 0.915 10.190 -9.880 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.704 7.847 -8.103 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.651 9.166 -7.629 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.024 8.509 -9.255 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.053 7.322 -9.964 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.907 7.205 -5.843 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.140 7.395 -5.757 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.121 8.583 -6.648 1.00 0.00 H new ATOM 1135 N GLY A 81 3.977 9.633 -8.858 1.00 0.00 N ATOM 1136 CA GLY A 81 5.136 10.273 -8.264 1.00 0.00 C ATOM 1137 C GLY A 81 5.824 9.391 -7.240 1.00 0.00 C ATOM 1138 O GLY A 81 7.017 9.546 -6.979 1.00 0.00 O ATOM 0 H GLY A 81 4.155 8.712 -9.260 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.845 10.534 -9.049 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.829 11.205 -7.789 1.00 0.00 H new ATOM 1142 N LEU A 82 5.070 8.466 -6.657 1.00 0.00 N ATOM 1143 CA LEU A 82 5.614 7.557 -5.654 1.00 0.00 C ATOM 1144 C LEU A 82 6.855 6.843 -6.182 1.00 0.00 C ATOM 1145 O LEU A 82 6.754 5.811 -6.843 1.00 0.00 O ATOM 1146 CB LEU A 82 4.558 6.530 -5.242 1.00 0.00 C ATOM 1147 CG LEU A 82 3.232 7.097 -4.733 1.00 0.00 C ATOM 1148 CD1 LEU A 82 2.102 6.107 -4.969 1.00 0.00 C ATOM 1149 CD2 LEU A 82 3.335 7.451 -3.257 1.00 0.00 C ATOM 0 H LEU A 82 4.081 8.325 -6.861 1.00 0.00 H new ATOM 0 HA LEU A 82 5.899 8.146 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.351 5.888 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.982 5.896 -4.463 1.00 0.00 H new ATOM 0 HG LEU A 82 3.011 8.008 -5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.167 6.528 -4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.013 5.904 -6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.315 5.178 -4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.382 7.853 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.580 6.556 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.116 8.198 -3.116 1.00 0.00 H new ATOM 1161 N GLU A 83 8.024 7.401 -5.882 1.00 0.00 N ATOM 1162 CA GLU A 83 9.284 6.817 -6.326 1.00 0.00 C ATOM 1163 C GLU A 83 9.732 5.708 -5.378 1.00 0.00 C ATOM 1164 O GLU A 83 10.023 4.592 -5.807 1.00 0.00 O ATOM 1165 CB GLU A 83 10.367 7.894 -6.417 1.00 0.00 C ATOM 1166 CG GLU A 83 10.220 8.804 -7.625 1.00 0.00 C ATOM 1167 CD GLU A 83 11.172 9.984 -7.585 1.00 0.00 C ATOM 1168 OE1 GLU A 83 12.357 9.780 -7.251 1.00 0.00 O ATOM 1169 OE2 GLU A 83 10.730 11.112 -7.889 1.00 0.00 O ATOM 0 H GLU A 83 8.124 8.255 -5.334 1.00 0.00 H new ATOM 0 HA GLU A 83 9.127 6.386 -7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.342 8.500 -5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.344 7.413 -6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.399 8.228 -8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.195 9.171 -7.677 1.00 0.00 H new ATOM 1176 N GLU A 84 9.786 6.025 -4.088 1.00 0.00 N ATOM 1177 CA GLU A 84 10.200 5.056 -3.080 1.00 0.00 C ATOM 1178 C GLU A 84 9.553 3.697 -3.334 1.00 0.00 C ATOM 1179 O GLU A 84 10.240 2.709 -3.593 1.00 0.00 O ATOM 1180 CB GLU A 84 9.834 5.554 -1.681 1.00 0.00 C ATOM 1181 CG GLU A 84 10.626 4.886 -0.570 1.00 0.00 C ATOM 1182 CD GLU A 84 12.092 5.274 -0.583 1.00 0.00 C ATOM 1183 OE1 GLU A 84 12.416 6.381 -0.104 1.00 0.00 O ATOM 1184 OE2 GLU A 84 12.914 4.473 -1.074 1.00 0.00 O ATOM 0 H GLU A 84 9.548 6.945 -3.717 1.00 0.00 H new ATOM 0 HA GLU A 84 11.282 4.942 -3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.996 6.631 -1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.771 5.384 -1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.192 5.155 0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.540 3.804 -0.668 1.00 0.00 H new ATOM 1191 N GLY A 85 8.227 3.656 -3.256 1.00 0.00 N ATOM 1192 CA GLY A 85 7.509 2.414 -3.478 1.00 0.00 C ATOM 1193 C GLY A 85 8.052 1.634 -4.658 1.00 0.00 C ATOM 1194 O GLY A 85 8.308 0.434 -4.554 1.00 0.00 O ATOM 0 H GLY A 85 7.637 4.460 -3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.569 1.798 -2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.454 2.632 -3.645 1.00 0.00 H new ATOM 1198 N VAL A 86 8.229 2.315 -5.786 1.00 0.00 N ATOM 1199 CA VAL A 86 8.745 1.678 -6.992 1.00 0.00 C ATOM 1200 C VAL A 86 10.025 0.904 -6.699 1.00 0.00 C ATOM 1201 O VAL A 86 10.074 -0.317 -6.855 1.00 0.00 O ATOM 1202 CB VAL A 86 9.025 2.712 -8.098 1.00 0.00 C ATOM 1203 CG1 VAL A 86 9.723 2.056 -9.279 1.00 0.00 C ATOM 1204 CG2 VAL A 86 7.733 3.385 -8.537 1.00 0.00 C ATOM 0 H VAL A 86 8.022 3.308 -5.890 1.00 0.00 H new ATOM 0 HA VAL A 86 7.977 0.987 -7.338 1.00 0.00 H new ATOM 0 HB VAL A 86 9.688 3.478 -7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.912 2.803 -10.050 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.669 1.626 -8.950 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.088 1.268 -9.685 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.949 4.113 -9.319 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.044 2.633 -8.921 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.279 3.892 -7.685 1.00 0.00 H new ATOM 1214 N ARG A 87 11.060 1.621 -6.273 1.00 0.00 N ATOM 1215 CA ARG A 87 12.341 1.002 -5.959 1.00 0.00 C ATOM 1216 C ARG A 87 12.169 -0.116 -4.935 1.00 0.00 C ATOM 1217 O ARG A 87 12.536 -1.265 -5.185 1.00 0.00 O ATOM 1218 CB ARG A 87 13.321 2.049 -5.427 1.00 0.00 C ATOM 1219 CG ARG A 87 13.803 3.027 -6.486 1.00 0.00 C ATOM 1220 CD ARG A 87 15.122 3.672 -6.091 1.00 0.00 C ATOM 1221 NE ARG A 87 15.859 4.166 -7.250 1.00 0.00 N ATOM 1222 CZ ARG A 87 16.961 4.902 -7.162 1.00 0.00 C ATOM 1223 NH1 ARG A 87 17.452 5.226 -5.973 1.00 0.00 N ATOM 1224 NH2 ARG A 87 17.576 5.314 -8.263 1.00 0.00 N ATOM 0 H ARG A 87 11.036 2.632 -6.138 1.00 0.00 H new ATOM 0 HA ARG A 87 12.742 0.572 -6.877 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.842 2.606 -4.621 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.183 1.541 -4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.922 2.506 -7.436 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.050 3.800 -6.638 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.931 4.497 -5.405 1.00 0.00 H new ATOM 0 HD3 ARG A 87 15.734 2.947 -5.555 1.00 0.00 H new ATOM 0 HE ARG A 87 15.508 3.933 -8.179 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.983 4.910 -5.124 1.00 0.00 H new ATOM 0 HH12 ARG A 87 18.298 5.791 -5.908 1.00 0.00 H new ATOM 0 HH21 ARG A 87 17.203 5.066 -9.179 1.00 0.00 H new ATOM 0 HH22 ARG A 87 18.422 5.879 -8.193 1.00 0.00 H new ATOM 1238 N LEU A 88 11.608 0.228 -3.780 1.00 0.00 N ATOM 1239 CA LEU A 88 11.387 -0.745 -2.717 1.00 0.00 C ATOM 1240 C LEU A 88 10.935 -2.085 -3.290 1.00 0.00 C ATOM 1241 O LEU A 88 11.502 -3.131 -2.974 1.00 0.00 O ATOM 1242 CB LEU A 88 10.342 -0.222 -1.729 1.00 0.00 C ATOM 1243 CG LEU A 88 10.287 -0.929 -0.374 1.00 0.00 C ATOM 1244 CD1 LEU A 88 9.425 -0.144 0.603 1.00 0.00 C ATOM 1245 CD2 LEU A 88 9.759 -2.347 -0.533 1.00 0.00 C ATOM 0 H LEU A 88 11.298 1.174 -3.557 1.00 0.00 H new ATOM 0 HA LEU A 88 12.331 -0.894 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.532 0.837 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.360 -0.297 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 88 11.299 -0.982 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.398 -0.662 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 88 9.846 0.852 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.413 -0.058 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.727 -2.835 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.755 -2.316 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.416 -2.908 -1.198 1.00 0.00 H new ATOM 1257 N LEU A 89 9.912 -2.045 -4.137 1.00 0.00 N ATOM 1258 CA LEU A 89 9.385 -3.255 -4.757 1.00 0.00 C ATOM 1259 C LEU A 89 10.477 -3.996 -5.522 1.00 0.00 C ATOM 1260 O LEU A 89 10.584 -5.220 -5.442 1.00 0.00 O ATOM 1261 CB LEU A 89 8.232 -2.908 -5.701 1.00 0.00 C ATOM 1262 CG LEU A 89 6.957 -2.385 -5.039 1.00 0.00 C ATOM 1263 CD1 LEU A 89 6.002 -1.829 -6.084 1.00 0.00 C ATOM 1264 CD2 LEU A 89 6.284 -3.486 -4.232 1.00 0.00 C ATOM 0 H LEU A 89 9.431 -1.188 -4.410 1.00 0.00 H new ATOM 0 HA LEU A 89 9.015 -3.907 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.583 -2.159 -6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.980 -3.799 -6.277 1.00 0.00 H new ATOM 0 HG LEU A 89 7.229 -1.578 -4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.100 -1.462 -5.594 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.484 -1.010 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.736 -2.616 -6.790 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.378 -3.095 -3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.026 -4.314 -4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.966 -3.838 -3.458 1.00 0.00 H new ATOM 1276 N ARG A 90 11.288 -3.245 -6.260 1.00 0.00 N ATOM 1277 CA ARG A 90 12.374 -3.830 -7.038 1.00 0.00 C ATOM 1278 C ARG A 90 13.289 -4.668 -6.149 1.00 0.00 C ATOM 1279 O ARG A 90 13.671 -5.781 -6.509 1.00 0.00 O ATOM 1280 CB ARG A 90 13.183 -2.732 -7.730 1.00 0.00 C ATOM 1281 CG ARG A 90 12.364 -1.885 -8.690 1.00 0.00 C ATOM 1282 CD ARG A 90 11.939 -2.682 -9.913 1.00 0.00 C ATOM 1283 NE ARG A 90 13.026 -2.823 -10.879 1.00 0.00 N ATOM 1284 CZ ARG A 90 13.458 -1.831 -11.649 1.00 0.00 C ATOM 1285 NH1 ARG A 90 12.898 -0.631 -11.567 1.00 0.00 N ATOM 1286 NH2 ARG A 90 14.451 -2.037 -12.504 1.00 0.00 N ATOM 0 H ARG A 90 11.214 -2.231 -6.336 1.00 0.00 H new ATOM 0 HA ARG A 90 11.936 -4.481 -7.795 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.623 -2.084 -6.972 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.008 -3.190 -8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.481 -1.504 -8.178 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.949 -1.020 -9.003 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.600 -3.670 -9.602 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.092 -2.190 -10.390 1.00 0.00 H new ATOM 0 HE ARG A 90 13.478 -3.733 -10.967 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.134 -0.469 -10.911 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.232 0.129 -12.160 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.884 -2.958 -12.571 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.782 -1.274 -13.095 1.00 0.00 H new