USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 506 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 14 SER OG : rot 180:sc= -0.955 USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.96,f=-2.1!) USER MOD Single : A 11 CYS SG : rot -169:sc= -7.03! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0239 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot -179:sc= -0.828 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0381 USER MOD Single : A 44 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.6) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0.167 K(o=0.17,f=-1.2) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.524 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.383 USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 90.495 -4.781 -9.668 1.00 0.00 N ATOM 102 CA ASP A 7 90.798 -5.401 -8.338 1.00 0.00 C ATOM 103 C ASP A 7 89.866 -4.832 -7.265 1.00 0.00 C ATOM 104 O ASP A 7 89.543 -5.501 -6.300 1.00 0.00 O ATOM 105 CB ASP A 7 92.256 -5.041 -8.035 1.00 0.00 C ATOM 106 CG ASP A 7 93.180 -5.680 -9.078 1.00 0.00 C ATOM 107 OD1 ASP A 7 92.826 -6.728 -9.600 1.00 0.00 O ATOM 108 OD2 ASP A 7 94.227 -5.110 -9.339 1.00 0.00 O ATOM 0 HA ASP A 7 90.649 -6.481 -8.350 1.00 0.00 H new ATOM 0 HB2 ASP A 7 92.381 -3.958 -8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 7 92.525 -5.388 -7.037 1.00 0.00 H new ATOM 113 N TRP A 8 89.433 -3.603 -7.427 1.00 0.00 N ATOM 114 CA TRP A 8 88.540 -2.977 -6.402 1.00 0.00 C ATOM 115 C TRP A 8 87.103 -3.498 -6.524 1.00 0.00 C ATOM 116 O TRP A 8 86.303 -3.305 -5.631 1.00 0.00 O ATOM 117 CB TRP A 8 88.584 -1.472 -6.659 1.00 0.00 C ATOM 118 CG TRP A 8 89.668 -0.766 -5.906 1.00 0.00 C ATOM 119 CD1 TRP A 8 90.439 0.222 -6.419 1.00 0.00 C ATOM 120 CD2 TRP A 8 90.116 -0.967 -4.527 1.00 0.00 C ATOM 121 NE1 TRP A 8 91.339 0.649 -5.456 1.00 0.00 N ATOM 122 CE2 TRP A 8 91.196 -0.042 -4.274 1.00 0.00 C ATOM 123 CE3 TRP A 8 89.710 -1.853 -3.457 1.00 0.00 C ATOM 124 CZ2 TRP A 8 91.859 0.007 -3.009 1.00 0.00 C ATOM 125 CZ3 TRP A 8 90.374 -1.805 -2.183 1.00 0.00 C ATOM 126 CH2 TRP A 8 91.447 -0.878 -1.962 1.00 0.00 C ATOM 0 H TRP A 8 89.660 -3.008 -8.224 1.00 0.00 H new ATOM 0 HA TRP A 8 88.877 -3.222 -5.395 1.00 0.00 H new ATOM 0 HB2 TRP A 8 88.722 -1.298 -7.726 1.00 0.00 H new ATOM 0 HB3 TRP A 8 87.622 -1.037 -6.387 1.00 0.00 H new ATOM 0 HD1 TRP A 8 90.364 0.616 -7.422 1.00 0.00 H new ATOM 0 HE1 TRP A 8 92.026 1.388 -5.605 1.00 0.00 H new ATOM 0 HE3 TRP A 8 88.904 -2.554 -3.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 92.665 0.707 -2.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 90.064 -2.469 -1.389 1.00 0.00 H new ATOM 0 HH2 TRP A 8 91.945 -0.848 -1.004 1.00 0.00 H new ATOM 137 N ILE A 9 86.757 -4.159 -7.609 1.00 0.00 N ATOM 138 CA ILE A 9 85.333 -4.601 -7.795 1.00 0.00 C ATOM 139 C ILE A 9 84.902 -5.486 -6.613 1.00 0.00 C ATOM 140 O ILE A 9 85.595 -6.410 -6.230 1.00 0.00 O ATOM 141 CB ILE A 9 85.306 -5.392 -9.116 1.00 0.00 C ATOM 142 CG1 ILE A 9 85.759 -4.503 -10.292 1.00 0.00 C ATOM 143 CG2 ILE A 9 83.884 -5.897 -9.388 1.00 0.00 C ATOM 144 CD1 ILE A 9 84.868 -3.258 -10.403 1.00 0.00 C ATOM 0 H ILE A 9 87.393 -4.409 -8.367 1.00 0.00 H new ATOM 0 HA ILE A 9 84.643 -3.758 -7.831 1.00 0.00 H new ATOM 0 HB ILE A 9 85.990 -6.236 -9.025 1.00 0.00 H new ATOM 0 HG12 ILE A 9 86.797 -4.202 -10.149 1.00 0.00 H new ATOM 0 HG13 ILE A 9 85.717 -5.071 -11.221 1.00 0.00 H new ATOM 0 HG21 ILE A 9 83.869 -6.456 -10.324 1.00 0.00 H new ATOM 0 HG22 ILE A 9 83.566 -6.546 -8.572 1.00 0.00 H new ATOM 0 HG23 ILE A 9 83.204 -5.048 -9.462 1.00 0.00 H new ATOM 0 HD11 ILE A 9 85.204 -2.644 -11.238 1.00 0.00 H new ATOM 0 HD12 ILE A 9 83.835 -3.564 -10.569 1.00 0.00 H new ATOM 0 HD13 ILE A 9 84.932 -2.682 -9.480 1.00 0.00 H new ATOM 156 N GLY A 10 83.760 -5.197 -6.043 1.00 0.00 N ATOM 157 CA GLY A 10 83.285 -5.966 -4.855 1.00 0.00 C ATOM 158 C GLY A 10 83.874 -5.418 -3.544 1.00 0.00 C ATOM 159 O GLY A 10 83.570 -5.933 -2.481 1.00 0.00 O ATOM 0 H GLY A 10 83.132 -4.455 -6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 10 82.197 -5.927 -4.808 1.00 0.00 H new ATOM 0 HA3 GLY A 10 83.561 -7.014 -4.967 1.00 0.00 H new ATOM 163 N CYS A 11 84.705 -4.390 -3.590 1.00 0.00 N ATOM 164 CA CYS A 11 85.269 -3.834 -2.313 1.00 0.00 C ATOM 165 C CYS A 11 84.260 -2.876 -1.652 1.00 0.00 C ATOM 166 O CYS A 11 83.412 -2.308 -2.316 1.00 0.00 O ATOM 167 CB CYS A 11 86.616 -3.151 -2.689 1.00 0.00 C ATOM 168 SG CYS A 11 86.406 -1.478 -3.386 1.00 0.00 S ATOM 0 H CYS A 11 85.010 -3.922 -4.443 1.00 0.00 H new ATOM 0 HA CYS A 11 85.454 -4.609 -1.570 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.245 -3.091 -1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 11 87.143 -3.775 -3.411 1.00 0.00 H new ATOM 0 HG CYS A 11 87.534 -1.073 -3.890 1.00 0.00 H new ATOM 174 N ALA A 12 84.353 -2.702 -0.359 1.00 0.00 N ATOM 175 CA ALA A 12 83.336 -1.883 0.372 1.00 0.00 C ATOM 176 C ALA A 12 83.787 -0.425 0.442 1.00 0.00 C ATOM 177 O ALA A 12 84.834 -0.127 0.988 1.00 0.00 O ATOM 178 CB ALA A 12 83.281 -2.489 1.774 1.00 0.00 C ATOM 0 H ALA A 12 85.092 -3.093 0.226 1.00 0.00 H new ATOM 0 HA ALA A 12 82.363 -1.894 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 12 82.555 -1.944 2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 12 82.984 -3.536 1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 12 84.264 -2.420 2.239 1.00 0.00 H new ATOM 184 N VAL A 13 83.009 0.482 -0.101 1.00 0.00 N ATOM 185 CA VAL A 13 83.422 1.921 -0.110 1.00 0.00 C ATOM 186 C VAL A 13 82.245 2.824 0.282 1.00 0.00 C ATOM 187 O VAL A 13 81.093 2.451 0.150 1.00 0.00 O ATOM 188 CB VAL A 13 83.890 2.215 -1.546 1.00 0.00 C ATOM 189 CG1 VAL A 13 85.040 1.277 -1.914 1.00 0.00 C ATOM 190 CG2 VAL A 13 82.735 2.016 -2.541 1.00 0.00 C ATOM 0 H VAL A 13 82.108 0.288 -0.537 1.00 0.00 H new ATOM 0 HA VAL A 13 84.215 2.116 0.611 1.00 0.00 H new ATOM 0 HB VAL A 13 84.226 3.251 -1.596 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.370 1.487 -2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.870 1.431 -1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.701 0.243 -1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.084 2.228 -3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.382 0.986 -2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 13 81.918 2.692 -2.290 1.00 0.00 H new ATOM 200 N SER A 14 82.539 4.008 0.762 1.00 0.00 N ATOM 201 CA SER A 14 81.461 4.987 1.080 1.00 0.00 C ATOM 202 C SER A 14 81.678 6.263 0.273 1.00 0.00 C ATOM 203 O SER A 14 82.797 6.714 0.112 1.00 0.00 O ATOM 204 CB SER A 14 81.600 5.264 2.577 1.00 0.00 C ATOM 205 OG SER A 14 80.667 6.268 2.958 1.00 0.00 O ATOM 0 H SER A 14 83.487 4.337 0.947 1.00 0.00 H new ATOM 0 HA SER A 14 80.468 4.612 0.834 1.00 0.00 H new ATOM 0 HB2 SER A 14 81.422 4.351 3.145 1.00 0.00 H new ATOM 0 HB3 SER A 14 82.615 5.589 2.806 1.00 0.00 H new ATOM 0 HG SER A 14 80.752 6.447 3.918 1.00 0.00 H new ATOM 211 N ILE A 15 80.619 6.843 -0.235 1.00 0.00 N ATOM 212 CA ILE A 15 80.772 8.023 -1.139 1.00 0.00 C ATOM 213 C ILE A 15 80.008 9.216 -0.570 1.00 0.00 C ATOM 214 O ILE A 15 78.812 9.145 -0.347 1.00 0.00 O ATOM 215 CB ILE A 15 80.168 7.609 -2.496 1.00 0.00 C ATOM 216 CG1 ILE A 15 80.711 6.237 -2.971 1.00 0.00 C ATOM 217 CG2 ILE A 15 80.518 8.675 -3.540 1.00 0.00 C ATOM 218 CD1 ILE A 15 82.244 6.218 -2.964 1.00 0.00 C ATOM 0 H ILE A 15 79.657 6.551 -0.063 1.00 0.00 H new ATOM 0 HA ILE A 15 81.817 8.314 -1.242 1.00 0.00 H new ATOM 0 HB ILE A 15 79.088 7.521 -2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.331 5.448 -2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.346 6.026 -3.976 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.096 8.392 -4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.106 9.636 -3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.601 8.756 -3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 15 82.597 5.244 -3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 15 82.621 6.992 -3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 15 82.606 6.405 -1.953 1.00 0.00 H new ATOM 230 N ALA A 16 80.693 10.306 -0.339 1.00 0.00 N ATOM 231 CA ALA A 16 80.011 11.544 0.131 1.00 0.00 C ATOM 232 C ALA A 16 79.782 12.479 -1.054 1.00 0.00 C ATOM 233 O ALA A 16 80.716 13.039 -1.598 1.00 0.00 O ATOM 234 CB ALA A 16 80.975 12.173 1.138 1.00 0.00 C ATOM 0 H ALA A 16 81.703 10.390 -0.457 1.00 0.00 H new ATOM 0 HA ALA A 16 79.038 11.344 0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.542 13.093 1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.151 11.476 1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 16 81.920 12.399 0.645 1.00 0.00 H new ATOM 240 N CYS A 17 78.549 12.643 -1.457 1.00 0.00 N ATOM 241 CA CYS A 17 78.231 13.569 -2.585 1.00 0.00 C ATOM 242 C CYS A 17 77.852 14.941 -2.023 1.00 0.00 C ATOM 243 O CYS A 17 77.609 15.082 -0.838 1.00 0.00 O ATOM 244 CB CYS A 17 77.037 12.948 -3.325 1.00 0.00 C ATOM 245 SG CYS A 17 77.434 11.264 -3.875 1.00 0.00 S ATOM 0 H CYS A 17 77.742 12.171 -1.050 1.00 0.00 H new ATOM 0 HA CYS A 17 79.080 13.703 -3.255 1.00 0.00 H new ATOM 0 HB2 CYS A 17 76.167 12.927 -2.669 1.00 0.00 H new ATOM 0 HB3 CYS A 17 76.774 13.565 -4.184 1.00 0.00 H new ATOM 0 HG CYS A 17 76.410 10.758 -4.496 1.00 0.00 H new ATOM 251 N ASP A 18 77.798 15.950 -2.859 1.00 0.00 N ATOM 252 CA ASP A 18 77.484 17.329 -2.361 1.00 0.00 C ATOM 253 C ASP A 18 76.110 17.338 -1.677 1.00 0.00 C ATOM 254 O ASP A 18 75.359 16.386 -1.763 1.00 0.00 O ATOM 255 CB ASP A 18 77.489 18.232 -3.599 1.00 0.00 C ATOM 256 CG ASP A 18 78.889 18.254 -4.223 1.00 0.00 C ATOM 257 OD1 ASP A 18 79.853 18.096 -3.489 1.00 0.00 O ATOM 258 OD2 ASP A 18 78.973 18.431 -5.427 1.00 0.00 O ATOM 0 H ASP A 18 77.957 15.880 -3.864 1.00 0.00 H new ATOM 0 HA ASP A 18 78.209 17.674 -1.624 1.00 0.00 H new ATOM 0 HB2 ASP A 18 76.763 17.870 -4.327 1.00 0.00 H new ATOM 0 HB3 ASP A 18 77.188 19.243 -3.324 1.00 0.00 H new ATOM 263 N GLU A 19 75.782 18.411 -1.001 1.00 0.00 N ATOM 264 CA GLU A 19 74.623 18.387 -0.044 1.00 0.00 C ATOM 265 C GLU A 19 73.333 17.908 -0.724 1.00 0.00 C ATOM 266 O GLU A 19 72.511 17.255 -0.106 1.00 0.00 O ATOM 267 CB GLU A 19 74.460 19.835 0.428 1.00 0.00 C ATOM 268 CG GLU A 19 75.697 20.254 1.233 1.00 0.00 C ATOM 269 CD GLU A 19 75.524 21.681 1.778 1.00 0.00 C ATOM 270 OE1 GLU A 19 74.693 22.410 1.254 1.00 0.00 O ATOM 271 OE2 GLU A 19 76.230 22.021 2.713 1.00 0.00 O ATOM 0 H GLU A 19 76.266 19.307 -1.068 1.00 0.00 H new ATOM 0 HA GLU A 19 74.810 17.696 0.778 1.00 0.00 H new ATOM 0 HB2 GLU A 19 74.330 20.496 -0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 19 73.564 19.930 1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 19 75.854 19.559 2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.584 20.204 0.601 1.00 0.00 H new ATOM 278 N VAL A 20 73.151 18.223 -1.984 1.00 0.00 N ATOM 279 CA VAL A 20 71.877 17.846 -2.677 1.00 0.00 C ATOM 280 C VAL A 20 71.868 16.342 -2.995 1.00 0.00 C ATOM 281 O VAL A 20 70.817 15.738 -3.120 1.00 0.00 O ATOM 282 CB VAL A 20 71.857 18.680 -3.966 1.00 0.00 C ATOM 283 CG1 VAL A 20 70.590 18.370 -4.770 1.00 0.00 C ATOM 284 CG2 VAL A 20 71.874 20.170 -3.612 1.00 0.00 C ATOM 0 H VAL A 20 73.827 18.723 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 20 70.999 18.040 -2.060 1.00 0.00 H new ATOM 0 HB VAL A 20 72.735 18.431 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 20 70.583 18.966 -5.683 1.00 0.00 H new ATOM 0 HG12 VAL A 20 70.573 17.311 -5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 20 69.711 18.612 -4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 20 71.860 20.762 -4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 20 70.998 20.411 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 20 72.777 20.399 -3.046 1.00 0.00 H new ATOM 294 N LEU A 21 73.025 15.739 -3.124 1.00 0.00 N ATOM 295 CA LEU A 21 73.093 14.281 -3.448 1.00 0.00 C ATOM 296 C LEU A 21 73.140 13.420 -2.174 1.00 0.00 C ATOM 297 O LEU A 21 72.913 12.224 -2.226 1.00 0.00 O ATOM 298 CB LEU A 21 74.387 14.135 -4.241 1.00 0.00 C ATOM 299 CG LEU A 21 74.250 14.850 -5.586 1.00 0.00 C ATOM 300 CD1 LEU A 21 75.631 14.998 -6.228 1.00 0.00 C ATOM 301 CD2 LEU A 21 73.345 14.032 -6.513 1.00 0.00 C ATOM 0 H LEU A 21 73.930 16.198 -3.018 1.00 0.00 H new ATOM 0 HA LEU A 21 72.216 13.945 -4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 21 75.220 14.556 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 21 74.611 13.080 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 21 73.813 15.836 -5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 21 75.534 15.508 -7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 21 76.277 15.581 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 21 76.067 14.011 -6.384 1.00 0.00 H new ATOM 0 HD21 LEU A 21 73.248 14.543 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 21 73.782 13.046 -6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.360 13.925 -6.058 1.00 0.00 H new ATOM 313 N GLY A 22 73.429 14.012 -1.035 1.00 0.00 N ATOM 314 CA GLY A 22 73.497 13.224 0.235 1.00 0.00 C ATOM 315 C GLY A 22 74.645 12.211 0.171 1.00 0.00 C ATOM 316 O GLY A 22 75.623 12.407 -0.529 1.00 0.00 O ATOM 0 H GLY A 22 73.620 15.009 -0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 22 73.643 13.896 1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 22 72.553 12.704 0.400 1.00 0.00 H new ATOM 320 N VAL A 23 74.531 11.126 0.899 1.00 0.00 N ATOM 321 CA VAL A 23 75.651 10.131 0.964 1.00 0.00 C ATOM 322 C VAL A 23 75.109 8.717 0.759 1.00 0.00 C ATOM 323 O VAL A 23 74.036 8.389 1.236 1.00 0.00 O ATOM 324 CB VAL A 23 76.246 10.259 2.374 1.00 0.00 C ATOM 325 CG1 VAL A 23 77.467 9.340 2.499 1.00 0.00 C ATOM 326 CG2 VAL A 23 76.672 11.707 2.639 1.00 0.00 C ATOM 0 H VAL A 23 73.709 10.885 1.453 1.00 0.00 H new ATOM 0 HA VAL A 23 76.396 10.317 0.191 1.00 0.00 H new ATOM 0 HB VAL A 23 75.490 9.970 3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 23 77.890 9.431 3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 23 77.165 8.307 2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 23 78.216 9.628 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 23 77.092 11.785 3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 23 77.422 12.005 1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 23 75.805 12.362 2.557 1.00 0.00 H new ATOM 336 N PHE A 24 75.841 7.881 0.062 1.00 0.00 N ATOM 337 CA PHE A 24 75.439 6.447 -0.041 1.00 0.00 C ATOM 338 C PHE A 24 76.643 5.537 0.228 1.00 0.00 C ATOM 339 O PHE A 24 77.781 5.946 0.112 1.00 0.00 O ATOM 340 CB PHE A 24 74.910 6.238 -1.470 1.00 0.00 C ATOM 341 CG PHE A 24 75.963 6.340 -2.554 1.00 0.00 C ATOM 342 CD1 PHE A 24 76.693 5.166 -2.938 1.00 0.00 C ATOM 343 CD2 PHE A 24 76.253 7.600 -3.182 1.00 0.00 C ATOM 344 CE1 PHE A 24 77.705 5.247 -3.951 1.00 0.00 C ATOM 345 CE2 PHE A 24 77.266 7.679 -4.192 1.00 0.00 C ATOM 346 CZ PHE A 24 77.990 6.504 -4.579 1.00 0.00 C ATOM 0 H PHE A 24 76.695 8.130 -0.437 1.00 0.00 H new ATOM 0 HA PHE A 24 74.675 6.198 0.695 1.00 0.00 H new ATOM 0 HB2 PHE A 24 74.440 5.256 -1.529 1.00 0.00 H new ATOM 0 HB3 PHE A 24 74.132 6.976 -1.667 1.00 0.00 H new ATOM 0 HD1 PHE A 24 76.480 4.220 -2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 24 75.708 8.486 -2.893 1.00 0.00 H new ATOM 0 HE1 PHE A 24 78.252 4.362 -4.241 1.00 0.00 H new ATOM 0 HE2 PHE A 24 77.485 8.626 -4.663 1.00 0.00 H new ATOM 0 HZ PHE A 24 78.750 6.566 -5.344 1.00 0.00 H new ATOM 356 N GLN A 25 76.388 4.308 0.588 1.00 0.00 N ATOM 357 CA GLN A 25 77.493 3.326 0.800 1.00 0.00 C ATOM 358 C GLN A 25 77.104 1.983 0.182 1.00 0.00 C ATOM 359 O GLN A 25 75.944 1.613 0.181 1.00 0.00 O ATOM 360 CB GLN A 25 77.636 3.212 2.319 1.00 0.00 C ATOM 361 CG GLN A 25 78.030 4.577 2.893 1.00 0.00 C ATOM 362 CD GLN A 25 78.154 4.494 4.419 1.00 0.00 C ATOM 363 OE1 GLN A 25 78.172 3.420 4.989 1.00 0.00 O ATOM 364 NE2 GLN A 25 78.237 5.598 5.111 1.00 0.00 N ATOM 0 H GLN A 25 75.451 3.938 0.746 1.00 0.00 H new ATOM 0 HA GLN A 25 78.430 3.633 0.336 1.00 0.00 H new ATOM 0 HB2 GLN A 25 76.698 2.876 2.760 1.00 0.00 H new ATOM 0 HB3 GLN A 25 78.391 2.467 2.570 1.00 0.00 H new ATOM 0 HG2 GLN A 25 78.977 4.902 2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 25 77.283 5.323 2.622 1.00 0.00 H new ATOM 0 HE21 GLN A 25 78.222 6.500 4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 25 78.317 5.558 6.127 1.00 0.00 H new ATOM 373 N GLY A 26 78.059 1.256 -0.344 1.00 0.00 N ATOM 374 CA GLY A 26 77.729 -0.015 -1.060 1.00 0.00 C ATOM 375 C GLY A 26 79.012 -0.720 -1.496 1.00 0.00 C ATOM 376 O GLY A 26 80.094 -0.165 -1.422 1.00 0.00 O ATOM 0 H GLY A 26 79.052 1.488 -0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 26 77.149 -0.669 -0.408 1.00 0.00 H new ATOM 0 HA3 GLY A 26 77.109 0.199 -1.930 1.00 0.00 H new ATOM 380 N LEU A 27 78.895 -1.946 -1.946 1.00 0.00 N ATOM 381 CA LEU A 27 80.066 -2.643 -2.551 1.00 0.00 C ATOM 382 C LEU A 27 80.116 -2.374 -4.057 1.00 0.00 C ATOM 383 O LEU A 27 79.112 -2.416 -4.741 1.00 0.00 O ATOM 384 CB LEU A 27 79.834 -4.130 -2.278 1.00 0.00 C ATOM 385 CG LEU A 27 79.892 -4.390 -0.772 1.00 0.00 C ATOM 386 CD1 LEU A 27 79.339 -5.785 -0.473 1.00 0.00 C ATOM 387 CD2 LEU A 27 81.347 -4.305 -0.295 1.00 0.00 C ATOM 0 H LEU A 27 78.035 -2.493 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 27 81.012 -2.299 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 27 78.865 -4.436 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 27 80.590 -4.726 -2.790 1.00 0.00 H new ATOM 0 HG LEU A 27 79.294 -3.643 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 27 79.380 -5.970 0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 27 78.305 -5.847 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 27 79.937 -6.533 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 27 81.389 -4.490 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 27 81.945 -5.053 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 27 81.742 -3.312 -0.508 1.00 0.00 H new ATOM 399 N ILE A 28 81.286 -2.099 -4.566 1.00 0.00 N ATOM 400 CA ILE A 28 81.430 -1.754 -6.017 1.00 0.00 C ATOM 401 C ILE A 28 81.103 -2.969 -6.896 1.00 0.00 C ATOM 402 O ILE A 28 81.504 -4.079 -6.610 1.00 0.00 O ATOM 403 CB ILE A 28 82.902 -1.333 -6.182 1.00 0.00 C ATOM 404 CG1 ILE A 28 83.172 -0.099 -5.308 1.00 0.00 C ATOM 405 CG2 ILE A 28 83.208 -1.008 -7.654 1.00 0.00 C ATOM 406 CD1 ILE A 28 84.657 0.269 -5.373 1.00 0.00 C ATOM 0 H ILE A 28 82.158 -2.098 -4.037 1.00 0.00 H new ATOM 0 HA ILE A 28 80.746 -0.962 -6.322 1.00 0.00 H new ATOM 0 HB ILE A 28 83.547 -2.155 -5.871 1.00 0.00 H new ATOM 0 HG12 ILE A 28 82.565 0.739 -5.650 1.00 0.00 H new ATOM 0 HG13 ILE A 28 82.883 -0.302 -4.277 1.00 0.00 H new ATOM 0 HG21 ILE A 28 84.253 -0.712 -7.752 1.00 0.00 H new ATOM 0 HG22 ILE A 28 83.021 -1.889 -8.268 1.00 0.00 H new ATOM 0 HG23 ILE A 28 82.567 -0.192 -7.987 1.00 0.00 H new ATOM 0 HD11 ILE A 28 84.842 1.145 -4.751 1.00 0.00 H new ATOM 0 HD12 ILE A 28 85.255 -0.567 -5.010 1.00 0.00 H new ATOM 0 HD13 ILE A 28 84.932 0.491 -6.404 1.00 0.00 H new ATOM 418 N LYS A 29 80.372 -2.754 -7.961 1.00 0.00 N ATOM 419 CA LYS A 29 80.181 -3.830 -8.980 1.00 0.00 C ATOM 420 C LYS A 29 81.025 -3.529 -10.224 1.00 0.00 C ATOM 421 O LYS A 29 81.431 -4.429 -10.936 1.00 0.00 O ATOM 422 CB LYS A 29 78.692 -3.802 -9.326 1.00 0.00 C ATOM 423 CG LYS A 29 78.377 -4.932 -10.310 1.00 0.00 C ATOM 424 CD LYS A 29 76.917 -4.833 -10.758 1.00 0.00 C ATOM 425 CE LYS A 29 76.577 -6.024 -11.657 1.00 0.00 C ATOM 426 NZ LYS A 29 75.680 -5.467 -12.708 1.00 0.00 N ATOM 0 H LYS A 29 79.897 -1.875 -8.169 1.00 0.00 H new ATOM 0 HA LYS A 29 80.490 -4.807 -8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.095 -3.916 -8.421 1.00 0.00 H new ATOM 0 HB3 LYS A 29 78.427 -2.839 -9.764 1.00 0.00 H new ATOM 0 HG2 LYS A 29 79.038 -4.869 -11.175 1.00 0.00 H new ATOM 0 HG3 LYS A 29 78.558 -5.898 -9.839 1.00 0.00 H new ATOM 0 HD2 LYS A 29 76.259 -4.820 -9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 29 76.753 -3.899 -11.296 1.00 0.00 H new ATOM 0 HE2 LYS A 29 77.476 -6.458 -12.094 1.00 0.00 H new ATOM 0 HE3 LYS A 29 76.082 -6.815 -11.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 75.403 -6.224 -13.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 74.830 -5.067 -12.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 76.180 -4.721 -13.232 1.00 0.00 H new ATOM 440 N GLN A 30 81.291 -2.269 -10.484 1.00 0.00 N ATOM 441 CA GLN A 30 82.103 -1.899 -11.684 1.00 0.00 C ATOM 442 C GLN A 30 82.710 -0.508 -11.494 1.00 0.00 C ATOM 443 O GLN A 30 82.162 0.321 -10.792 1.00 0.00 O ATOM 444 CB GLN A 30 81.116 -1.905 -12.853 1.00 0.00 C ATOM 445 CG GLN A 30 81.873 -1.665 -14.161 1.00 0.00 C ATOM 446 CD GLN A 30 80.876 -1.584 -15.318 1.00 0.00 C ATOM 447 OE1 GLN A 30 80.393 -2.594 -15.793 1.00 0.00 O ATOM 448 NE2 GLN A 30 80.546 -0.416 -15.799 1.00 0.00 N ATOM 0 H GLN A 30 80.979 -1.482 -9.915 1.00 0.00 H new ATOM 0 HA GLN A 30 82.931 -2.587 -11.854 1.00 0.00 H new ATOM 0 HB2 GLN A 30 80.591 -2.859 -12.894 1.00 0.00 H new ATOM 0 HB3 GLN A 30 80.362 -1.131 -12.710 1.00 0.00 H new ATOM 0 HG2 GLN A 30 82.448 -0.741 -14.097 1.00 0.00 H new ATOM 0 HG3 GLN A 30 82.585 -2.472 -14.335 1.00 0.00 H new ATOM 0 HE21 GLN A 30 80.950 0.432 -15.402 1.00 0.00 H new ATOM 0 HE22 GLN A 30 79.884 -0.351 -16.572 1.00 0.00 H new ATOM 457 N ILE A 31 83.837 -0.248 -12.113 1.00 0.00 N ATOM 458 CA ILE A 31 84.511 1.075 -11.931 1.00 0.00 C ATOM 459 C ILE A 31 85.065 1.568 -13.270 1.00 0.00 C ATOM 460 O ILE A 31 85.616 0.810 -14.046 1.00 0.00 O ATOM 461 CB ILE A 31 85.648 0.839 -10.923 1.00 0.00 C ATOM 462 CG1 ILE A 31 85.067 0.292 -9.609 1.00 0.00 C ATOM 463 CG2 ILE A 31 86.376 2.164 -10.649 1.00 0.00 C ATOM 464 CD1 ILE A 31 86.194 -0.013 -8.617 1.00 0.00 C ATOM 0 H ILE A 31 84.319 -0.896 -12.737 1.00 0.00 H new ATOM 0 HA ILE A 31 83.819 1.836 -11.569 1.00 0.00 H new ATOM 0 HB ILE A 31 86.352 0.117 -11.336 1.00 0.00 H new ATOM 0 HG12 ILE A 31 84.379 1.019 -9.177 1.00 0.00 H new ATOM 0 HG13 ILE A 31 84.492 -0.613 -9.806 1.00 0.00 H new ATOM 0 HG21 ILE A 31 87.182 1.995 -9.934 1.00 0.00 H new ATOM 0 HG22 ILE A 31 86.791 2.550 -11.580 1.00 0.00 H new ATOM 0 HG23 ILE A 31 85.672 2.888 -10.238 1.00 0.00 H new ATOM 0 HD11 ILE A 31 85.769 -0.400 -7.691 1.00 0.00 H new ATOM 0 HD12 ILE A 31 86.865 -0.757 -9.046 1.00 0.00 H new ATOM 0 HD13 ILE A 31 86.751 0.900 -8.407 1.00 0.00 H new ATOM 476 N SER A 32 84.916 2.841 -13.537 1.00 0.00 N ATOM 477 CA SER A 32 85.535 3.443 -14.754 1.00 0.00 C ATOM 478 C SER A 32 85.951 4.883 -14.454 1.00 0.00 C ATOM 479 O SER A 32 85.434 5.509 -13.549 1.00 0.00 O ATOM 480 CB SER A 32 84.444 3.409 -15.822 1.00 0.00 C ATOM 481 OG SER A 32 83.378 4.265 -15.433 1.00 0.00 O ATOM 0 H SER A 32 84.387 3.493 -12.958 1.00 0.00 H new ATOM 0 HA SER A 32 86.426 2.906 -15.079 1.00 0.00 H new ATOM 0 HB2 SER A 32 84.849 3.728 -16.782 1.00 0.00 H new ATOM 0 HB3 SER A 32 84.079 2.390 -15.952 1.00 0.00 H new ATOM 0 HG SER A 32 82.670 4.234 -16.110 1.00 0.00 H new ATOM 487 N ALA A 33 86.874 5.415 -15.213 1.00 0.00 N ATOM 488 CA ALA A 33 87.480 6.744 -14.860 1.00 0.00 C ATOM 489 C ALA A 33 86.402 7.826 -14.705 1.00 0.00 C ATOM 490 O ALA A 33 86.609 8.816 -14.025 1.00 0.00 O ATOM 491 CB ALA A 33 88.409 7.087 -16.028 1.00 0.00 C ATOM 0 H ALA A 33 87.238 4.989 -16.065 1.00 0.00 H new ATOM 0 HA ALA A 33 88.009 6.697 -13.908 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.889 8.048 -15.841 1.00 0.00 H new ATOM 0 HB2 ALA A 33 89.171 6.314 -16.126 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.829 7.144 -16.949 1.00 0.00 H new ATOM 497 N GLU A 34 85.260 7.649 -15.325 1.00 0.00 N ATOM 498 CA GLU A 34 84.223 8.727 -15.322 1.00 0.00 C ATOM 499 C GLU A 34 83.232 8.542 -14.164 1.00 0.00 C ATOM 500 O GLU A 34 82.636 9.498 -13.702 1.00 0.00 O ATOM 501 CB GLU A 34 83.508 8.597 -16.668 1.00 0.00 C ATOM 502 CG GLU A 34 84.490 8.897 -17.807 1.00 0.00 C ATOM 503 CD GLU A 34 84.980 10.351 -17.722 1.00 0.00 C ATOM 504 OE1 GLU A 34 84.285 11.165 -17.131 1.00 0.00 O ATOM 505 OE2 GLU A 34 86.045 10.624 -18.249 1.00 0.00 O ATOM 0 H GLU A 34 85.002 6.803 -15.833 1.00 0.00 H new ATOM 0 HA GLU A 34 84.669 9.712 -15.186 1.00 0.00 H new ATOM 0 HB2 GLU A 34 83.103 7.591 -16.780 1.00 0.00 H new ATOM 0 HB3 GLU A 34 82.665 9.287 -16.711 1.00 0.00 H new ATOM 0 HG2 GLU A 34 85.340 8.216 -17.752 1.00 0.00 H new ATOM 0 HG3 GLU A 34 84.006 8.725 -18.768 1.00 0.00 H new ATOM 512 N GLU A 35 83.054 7.330 -13.693 1.00 0.00 N ATOM 513 CA GLU A 35 81.972 7.064 -12.693 1.00 0.00 C ATOM 514 C GLU A 35 82.283 5.811 -11.862 1.00 0.00 C ATOM 515 O GLU A 35 83.034 4.949 -12.277 1.00 0.00 O ATOM 516 CB GLU A 35 80.696 6.870 -13.522 1.00 0.00 C ATOM 517 CG GLU A 35 80.870 5.692 -14.491 1.00 0.00 C ATOM 518 CD GLU A 35 79.654 5.588 -15.421 1.00 0.00 C ATOM 519 OE1 GLU A 35 78.590 6.056 -15.045 1.00 0.00 O ATOM 520 OE2 GLU A 35 79.809 5.039 -16.500 1.00 0.00 O ATOM 0 H GLU A 35 83.610 6.516 -13.957 1.00 0.00 H new ATOM 0 HA GLU A 35 81.872 7.882 -11.980 1.00 0.00 H new ATOM 0 HB2 GLU A 35 79.849 6.686 -12.862 1.00 0.00 H new ATOM 0 HB3 GLU A 35 80.474 7.780 -14.080 1.00 0.00 H new ATOM 0 HG2 GLU A 35 81.777 5.827 -15.080 1.00 0.00 H new ATOM 0 HG3 GLU A 35 80.989 4.765 -13.930 1.00 0.00 H new ATOM 527 N ILE A 36 81.706 5.714 -10.691 1.00 0.00 N ATOM 528 CA ILE A 36 81.817 4.458 -9.883 1.00 0.00 C ATOM 529 C ILE A 36 80.435 3.804 -9.760 1.00 0.00 C ATOM 530 O ILE A 36 79.439 4.489 -9.603 1.00 0.00 O ATOM 531 CB ILE A 36 82.325 4.902 -8.503 1.00 0.00 C ATOM 532 CG1 ILE A 36 83.658 5.664 -8.637 1.00 0.00 C ATOM 533 CG2 ILE A 36 82.524 3.673 -7.613 1.00 0.00 C ATOM 534 CD1 ILE A 36 84.721 4.779 -9.307 1.00 0.00 C ATOM 0 H ILE A 36 81.158 6.456 -10.256 1.00 0.00 H new ATOM 0 HA ILE A 36 82.487 3.729 -10.339 1.00 0.00 H new ATOM 0 HB ILE A 36 81.587 5.566 -8.054 1.00 0.00 H new ATOM 0 HG12 ILE A 36 83.508 6.570 -9.225 1.00 0.00 H new ATOM 0 HG13 ILE A 36 84.005 5.977 -7.652 1.00 0.00 H new ATOM 0 HG21 ILE A 36 82.885 3.988 -6.634 1.00 0.00 H new ATOM 0 HG22 ILE A 36 81.575 3.149 -7.499 1.00 0.00 H new ATOM 0 HG23 ILE A 36 83.254 3.006 -8.071 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.655 5.334 -9.393 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.884 3.886 -8.704 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.379 4.488 -10.300 1.00 0.00 H new ATOM 546 N THR A 37 80.366 2.493 -9.829 1.00 0.00 N ATOM 547 CA THR A 37 79.038 1.805 -9.787 1.00 0.00 C ATOM 548 C THR A 37 78.999 0.776 -8.647 1.00 0.00 C ATOM 549 O THR A 37 79.902 -0.027 -8.500 1.00 0.00 O ATOM 550 CB THR A 37 78.916 1.103 -11.142 1.00 0.00 C ATOM 551 OG1 THR A 37 79.053 2.061 -12.182 1.00 0.00 O ATOM 552 CG2 THR A 37 77.550 0.419 -11.249 1.00 0.00 C ATOM 0 H THR A 37 81.172 1.873 -9.912 1.00 0.00 H new ATOM 0 HA THR A 37 78.221 2.503 -9.608 1.00 0.00 H new ATOM 0 HB THR A 37 79.700 0.351 -11.233 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.977 1.614 -13.051 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.467 -0.079 -12.215 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.448 -0.317 -10.451 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.761 1.166 -11.157 1.00 0.00 H new ATOM 560 N ILE A 38 77.957 0.797 -7.849 1.00 0.00 N ATOM 561 CA ILE A 38 77.867 -0.141 -6.680 1.00 0.00 C ATOM 562 C ILE A 38 76.484 -0.805 -6.626 1.00 0.00 C ATOM 563 O ILE A 38 75.575 -0.423 -7.338 1.00 0.00 O ATOM 564 CB ILE A 38 78.087 0.716 -5.423 1.00 0.00 C ATOM 565 CG1 ILE A 38 77.065 1.859 -5.387 1.00 0.00 C ATOM 566 CG2 ILE A 38 79.504 1.297 -5.424 1.00 0.00 C ATOM 567 CD1 ILE A 38 76.755 2.226 -3.937 1.00 0.00 C ATOM 0 H ILE A 38 77.161 1.426 -7.956 1.00 0.00 H new ATOM 0 HA ILE A 38 78.608 -0.937 -6.759 1.00 0.00 H new ATOM 0 HB ILE A 38 77.959 0.087 -4.542 1.00 0.00 H new ATOM 0 HG12 ILE A 38 77.457 2.727 -5.916 1.00 0.00 H new ATOM 0 HG13 ILE A 38 76.151 1.559 -5.900 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.650 1.902 -4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 38 80.230 0.484 -5.434 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.642 1.918 -6.309 1.00 0.00 H new ATOM 0 HD11 ILE A 38 76.029 3.038 -3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 38 76.344 1.358 -3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 38 77.671 2.544 -3.438 1.00 0.00 H new ATOM 579 N VAL A 39 76.328 -1.793 -5.779 1.00 0.00 N ATOM 580 CA VAL A 39 75.021 -2.522 -5.679 1.00 0.00 C ATOM 581 C VAL A 39 74.533 -2.549 -4.225 1.00 0.00 C ATOM 582 O VAL A 39 75.291 -2.300 -3.308 1.00 0.00 O ATOM 583 CB VAL A 39 75.300 -3.941 -6.187 1.00 0.00 C ATOM 584 CG1 VAL A 39 75.739 -3.878 -7.650 1.00 0.00 C ATOM 585 CG2 VAL A 39 76.411 -4.595 -5.352 1.00 0.00 C ATOM 0 H VAL A 39 77.055 -2.129 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 39 74.240 -2.036 -6.263 1.00 0.00 H new ATOM 0 HB VAL A 39 74.391 -4.535 -6.097 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.938 -4.886 -8.014 1.00 0.00 H new ATOM 0 HG12 VAL A 39 74.948 -3.426 -8.248 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.645 -3.277 -7.733 1.00 0.00 H new ATOM 0 HG21 VAL A 39 76.600 -5.602 -5.723 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.322 -4.002 -5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 39 76.100 -4.645 -4.308 1.00 0.00 H new ATOM 595 N ARG A 40 73.267 -2.846 -4.010 1.00 0.00 N ATOM 596 CA ARG A 40 72.690 -2.832 -2.619 1.00 0.00 C ATOM 597 C ARG A 40 72.876 -1.448 -1.993 1.00 0.00 C ATOM 598 O ARG A 40 73.523 -1.291 -0.974 1.00 0.00 O ATOM 599 CB ARG A 40 73.447 -3.904 -1.811 1.00 0.00 C ATOM 600 CG ARG A 40 73.355 -5.258 -2.522 1.00 0.00 C ATOM 601 CD ARG A 40 71.896 -5.724 -2.556 1.00 0.00 C ATOM 602 NE ARG A 40 71.940 -7.107 -3.127 1.00 0.00 N ATOM 603 CZ ARG A 40 70.958 -7.972 -2.935 1.00 0.00 C ATOM 604 NH1 ARG A 40 69.888 -7.666 -2.233 1.00 0.00 N ATOM 605 NH2 ARG A 40 71.053 -9.164 -3.457 1.00 0.00 N ATOM 0 H ARG A 40 72.605 -3.099 -4.743 1.00 0.00 H new ATOM 0 HA ARG A 40 71.621 -3.046 -2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 40 74.492 -3.614 -1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 40 73.026 -3.981 -0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 40 73.744 -5.174 -3.537 1.00 0.00 H new ATOM 0 HG3 ARG A 40 73.970 -5.994 -2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 40 71.459 -5.724 -1.557 1.00 0.00 H new ATOM 0 HD3 ARG A 40 71.286 -5.063 -3.171 1.00 0.00 H new ATOM 0 HE ARG A 40 72.749 -7.390 -3.679 1.00 0.00 H new ATOM 0 HH11 ARG A 40 69.798 -6.738 -1.818 1.00 0.00 H new ATOM 0 HH12 ARG A 40 69.148 -8.356 -2.104 1.00 0.00 H new ATOM 0 HH21 ARG A 40 71.876 -9.417 -4.004 1.00 0.00 H new ATOM 0 HH22 ARG A 40 70.304 -9.843 -3.318 1.00 0.00 H new ATOM 619 N ALA A 41 72.304 -0.444 -2.609 1.00 0.00 N ATOM 620 CA ALA A 41 72.571 0.965 -2.181 1.00 0.00 C ATOM 621 C ALA A 41 71.984 1.251 -0.794 1.00 0.00 C ATOM 622 O ALA A 41 70.819 1.008 -0.531 1.00 0.00 O ATOM 623 CB ALA A 41 71.884 1.840 -3.231 1.00 0.00 C ATOM 0 H ALA A 41 71.660 -0.540 -3.394 1.00 0.00 H new ATOM 0 HA ALA A 41 73.641 1.159 -2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 41 72.036 2.891 -2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 41 72.310 1.632 -4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 41 70.816 1.621 -3.245 1.00 0.00 H new ATOM 629 N PHE A 42 72.794 1.771 0.090 1.00 0.00 N ATOM 630 CA PHE A 42 72.265 2.336 1.366 1.00 0.00 C ATOM 631 C PHE A 42 72.496 3.848 1.375 1.00 0.00 C ATOM 632 O PHE A 42 73.569 4.311 1.045 1.00 0.00 O ATOM 633 CB PHE A 42 73.067 1.657 2.480 1.00 0.00 C ATOM 634 CG PHE A 42 72.449 0.371 2.991 1.00 0.00 C ATOM 635 CD1 PHE A 42 72.617 -0.863 2.270 1.00 0.00 C ATOM 636 CD2 PHE A 42 71.692 0.388 4.211 1.00 0.00 C ATOM 637 CE1 PHE A 42 72.027 -2.071 2.771 1.00 0.00 C ATOM 638 CE2 PHE A 42 71.106 -0.822 4.710 1.00 0.00 C ATOM 639 CZ PHE A 42 71.272 -2.051 3.990 1.00 0.00 C ATOM 0 H PHE A 42 73.807 1.829 -0.018 1.00 0.00 H new ATOM 0 HA PHE A 42 71.196 2.163 1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 42 74.071 1.444 2.112 1.00 0.00 H new ATOM 0 HB3 PHE A 42 73.173 2.353 3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 42 73.187 -0.880 1.353 1.00 0.00 H new ATOM 0 HD2 PHE A 42 71.564 1.313 4.753 1.00 0.00 H new ATOM 0 HE1 PHE A 42 72.152 -2.997 2.229 1.00 0.00 H new ATOM 0 HE2 PHE A 42 70.539 -0.808 5.629 1.00 0.00 H new ATOM 0 HZ PHE A 42 70.829 -2.961 4.366 1.00 0.00 H new ATOM 649 N ARG A 43 71.504 4.616 1.750 1.00 0.00 N ATOM 650 CA ARG A 43 71.632 6.105 1.685 1.00 0.00 C ATOM 651 C ARG A 43 71.104 6.736 2.972 1.00 0.00 C ATOM 652 O ARG A 43 70.135 6.279 3.543 1.00 0.00 O ATOM 653 CB ARG A 43 70.771 6.524 0.493 1.00 0.00 C ATOM 654 CG ARG A 43 70.941 8.024 0.242 1.00 0.00 C ATOM 655 CD ARG A 43 69.992 8.468 -0.875 1.00 0.00 C ATOM 656 NE ARG A 43 70.413 7.688 -2.083 1.00 0.00 N ATOM 657 CZ ARG A 43 69.597 7.492 -3.104 1.00 0.00 C ATOM 658 NH1 ARG A 43 68.371 7.971 -3.119 1.00 0.00 N ATOM 659 NH2 ARG A 43 70.019 6.804 -4.128 1.00 0.00 N ATOM 0 H ARG A 43 70.608 4.275 2.099 1.00 0.00 H new ATOM 0 HA ARG A 43 72.668 6.426 1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.061 5.961 -0.394 1.00 0.00 H new ATOM 0 HB3 ARG A 43 69.724 6.294 0.689 1.00 0.00 H new ATOM 0 HG2 ARG A 43 70.731 8.582 1.155 1.00 0.00 H new ATOM 0 HG3 ARG A 43 71.972 8.242 -0.035 1.00 0.00 H new ATOM 0 HD2 ARG A 43 68.954 8.261 -0.615 1.00 0.00 H new ATOM 0 HD3 ARG A 43 70.068 9.541 -1.053 1.00 0.00 H new ATOM 0 HE ARG A 43 71.355 7.298 -2.118 1.00 0.00 H new ATOM 0 HH11 ARG A 43 68.025 8.512 -2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 43 67.767 7.801 -3.923 1.00 0.00 H new ATOM 0 HH21 ARG A 43 70.966 6.426 -4.133 1.00 0.00 H new ATOM 0 HH22 ARG A 43 69.402 6.644 -4.924 1.00 0.00 H new ATOM 673 N ASN A 44 71.743 7.784 3.440 1.00 0.00 N ATOM 674 CA ASN A 44 71.275 8.481 4.691 1.00 0.00 C ATOM 675 C ASN A 44 71.108 7.484 5.850 1.00 0.00 C ATOM 676 O ASN A 44 70.165 7.563 6.615 1.00 0.00 O ATOM 677 CB ASN A 44 69.926 9.116 4.329 1.00 0.00 C ATOM 678 CG ASN A 44 70.106 10.090 3.161 1.00 0.00 C ATOM 679 OD1 ASN A 44 69.328 10.087 2.228 1.00 0.00 O ATOM 680 ND2 ASN A 44 71.107 10.930 3.172 1.00 0.00 N ATOM 0 H ASN A 44 72.573 8.191 3.009 1.00 0.00 H new ATOM 0 HA ASN A 44 71.998 9.225 5.025 1.00 0.00 H new ATOM 0 HB2 ASN A 44 69.209 8.340 4.060 1.00 0.00 H new ATOM 0 HB3 ASN A 44 69.518 9.641 5.193 1.00 0.00 H new ATOM 0 HD21 ASN A 44 71.234 11.582 2.398 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.761 10.934 3.955 1.00 0.00 H new ATOM 687 N GLY A 45 72.020 6.553 5.977 1.00 0.00 N ATOM 688 CA GLY A 45 71.990 5.606 7.135 1.00 0.00 C ATOM 689 C GLY A 45 70.704 4.766 7.128 1.00 0.00 C ATOM 690 O GLY A 45 70.298 4.248 8.152 1.00 0.00 O ATOM 0 H GLY A 45 72.790 6.407 5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 45 72.858 4.948 7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 45 72.058 6.165 8.068 1.00 0.00 H new ATOM 694 N VAL A 46 70.063 4.626 5.990 1.00 0.00 N ATOM 695 CA VAL A 46 68.878 3.716 5.896 1.00 0.00 C ATOM 696 C VAL A 46 68.876 3.003 4.526 1.00 0.00 C ATOM 697 O VAL A 46 69.387 3.538 3.565 1.00 0.00 O ATOM 698 CB VAL A 46 67.662 4.641 6.063 1.00 0.00 C ATOM 699 CG1 VAL A 46 66.358 3.864 5.837 1.00 0.00 C ATOM 700 CG2 VAL A 46 67.664 5.199 7.483 1.00 0.00 C ATOM 0 H VAL A 46 70.310 5.103 5.123 1.00 0.00 H new ATOM 0 HA VAL A 46 68.879 2.928 6.649 1.00 0.00 H new ATOM 0 HB VAL A 46 67.724 5.446 5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.508 4.536 5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 46 66.351 3.450 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.287 3.053 6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.806 5.858 7.616 1.00 0.00 H new ATOM 0 HG22 VAL A 46 67.605 4.377 8.197 1.00 0.00 H new ATOM 0 HG23 VAL A 46 68.583 5.761 7.652 1.00 0.00 H new ATOM 710 N PRO A 47 68.302 1.813 4.469 1.00 0.00 N ATOM 711 CA PRO A 47 68.353 1.020 3.215 1.00 0.00 C ATOM 712 C PRO A 47 67.425 1.631 2.159 1.00 0.00 C ATOM 713 O PRO A 47 66.313 2.023 2.459 1.00 0.00 O ATOM 714 CB PRO A 47 67.864 -0.378 3.625 1.00 0.00 C ATOM 715 CG PRO A 47 67.686 -0.342 5.115 1.00 0.00 C ATOM 716 CD PRO A 47 67.563 1.100 5.520 1.00 0.00 C ATOM 0 HA PRO A 47 69.350 0.996 2.775 1.00 0.00 H new ATOM 0 HB2 PRO A 47 66.926 -0.623 3.127 1.00 0.00 H new ATOM 0 HB3 PRO A 47 68.586 -1.142 3.338 1.00 0.00 H new ATOM 0 HG2 PRO A 47 66.797 -0.900 5.409 1.00 0.00 H new ATOM 0 HG3 PRO A 47 68.535 -0.809 5.614 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.521 1.417 5.565 1.00 0.00 H new ATOM 0 HD3 PRO A 47 67.993 1.279 6.505 1.00 0.00 H new ATOM 724 N LEU A 48 67.877 1.714 0.928 1.00 0.00 N ATOM 725 CA LEU A 48 66.990 2.217 -0.167 1.00 0.00 C ATOM 726 C LEU A 48 66.021 1.117 -0.611 1.00 0.00 C ATOM 727 O LEU A 48 66.366 -0.049 -0.639 1.00 0.00 O ATOM 728 CB LEU A 48 67.935 2.599 -1.308 1.00 0.00 C ATOM 729 CG LEU A 48 68.864 3.728 -0.849 1.00 0.00 C ATOM 730 CD1 LEU A 48 69.897 4.023 -1.943 1.00 0.00 C ATOM 731 CD2 LEU A 48 68.036 4.991 -0.572 1.00 0.00 C ATOM 0 H LEU A 48 68.820 1.455 0.637 1.00 0.00 H new ATOM 0 HA LEU A 48 66.382 3.063 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.522 1.733 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.361 2.918 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 48 69.380 3.424 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 48 70.556 4.826 -1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 48 70.486 3.127 -2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.384 4.326 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 48 68.696 5.794 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.519 5.294 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 48 67.305 4.783 0.209 1.00 0.00 H new ATOM 743 N ARG A 49 64.810 1.487 -0.956 1.00 0.00 N ATOM 744 CA ARG A 49 63.801 0.467 -1.398 1.00 0.00 C ATOM 745 C ARG A 49 64.317 -0.294 -2.623 1.00 0.00 C ATOM 746 O ARG A 49 64.038 -1.466 -2.797 1.00 0.00 O ATOM 747 CB ARG A 49 62.545 1.267 -1.758 1.00 0.00 C ATOM 748 CG ARG A 49 62.007 1.966 -0.507 1.00 0.00 C ATOM 749 CD ARG A 49 60.711 2.703 -0.852 1.00 0.00 C ATOM 750 NE ARG A 49 59.703 1.622 -1.084 1.00 0.00 N ATOM 751 CZ ARG A 49 59.110 0.995 -0.082 1.00 0.00 C ATOM 752 NH1 ARG A 49 59.377 1.281 1.175 1.00 0.00 N ATOM 753 NH2 ARG A 49 58.236 0.063 -0.347 1.00 0.00 N ATOM 0 H ARG A 49 64.475 2.451 -0.951 1.00 0.00 H new ATOM 0 HA ARG A 49 63.603 -0.272 -0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 49 62.778 2.004 -2.527 1.00 0.00 H new ATOM 0 HB3 ARG A 49 61.785 0.604 -2.172 1.00 0.00 H new ATOM 0 HG2 ARG A 49 61.824 1.235 0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 49 62.747 2.669 -0.124 1.00 0.00 H new ATOM 0 HD2 ARG A 49 60.403 3.362 -0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 49 60.834 3.325 -1.739 1.00 0.00 H new ATOM 0 HE ARG A 49 59.467 1.361 -2.041 1.00 0.00 H new ATOM 0 HH11 ARG A 49 60.059 2.005 1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 49 58.902 0.778 1.924 1.00 0.00 H new ATOM 0 HH21 ARG A 49 58.019 -0.172 -1.316 1.00 0.00 H new ATOM 0 HH22 ARG A 49 57.770 -0.430 0.414 1.00 0.00 H new ATOM 767 N LYS A 50 65.068 0.368 -3.467 1.00 0.00 N ATOM 768 CA LYS A 50 65.617 -0.301 -4.685 1.00 0.00 C ATOM 769 C LYS A 50 67.002 -0.885 -4.387 1.00 0.00 C ATOM 770 O LYS A 50 67.960 -0.626 -5.092 1.00 0.00 O ATOM 771 CB LYS A 50 65.711 0.806 -5.736 1.00 0.00 C ATOM 772 CG LYS A 50 64.308 1.325 -6.057 1.00 0.00 C ATOM 773 CD LYS A 50 64.387 2.346 -7.193 1.00 0.00 C ATOM 774 CE LYS A 50 63.003 2.952 -7.432 1.00 0.00 C ATOM 775 NZ LYS A 50 63.180 3.869 -8.593 1.00 0.00 N ATOM 0 H LYS A 50 65.326 1.349 -3.363 1.00 0.00 H new ATOM 0 HA LYS A 50 64.992 -1.128 -5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 50 66.336 1.620 -5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 50 66.185 0.424 -6.640 1.00 0.00 H new ATOM 0 HG2 LYS A 50 63.659 0.497 -6.343 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.868 1.784 -5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 50 65.101 3.131 -6.942 1.00 0.00 H new ATOM 0 HD3 LYS A 50 64.748 1.866 -8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 50 62.265 2.179 -7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 50 62.651 3.492 -6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 62.272 4.323 -8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 63.883 4.598 -8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 63.509 3.326 -9.417 1.00 0.00 H new ATOM 789 N GLN A 51 67.109 -1.674 -3.343 1.00 0.00 N ATOM 790 CA GLN A 51 68.435 -2.277 -2.973 1.00 0.00 C ATOM 791 C GLN A 51 69.012 -3.075 -4.149 1.00 0.00 C ATOM 792 O GLN A 51 70.209 -3.099 -4.365 1.00 0.00 O ATOM 793 CB GLN A 51 68.141 -3.205 -1.791 1.00 0.00 C ATOM 794 CG GLN A 51 69.458 -3.687 -1.180 1.00 0.00 C ATOM 795 CD GLN A 51 69.170 -4.746 -0.115 1.00 0.00 C ATOM 796 OE1 GLN A 51 68.515 -5.734 -0.385 1.00 0.00 O ATOM 797 NE2 GLN A 51 69.635 -4.582 1.094 1.00 0.00 N ATOM 0 H GLN A 51 66.335 -1.928 -2.729 1.00 0.00 H new ATOM 0 HA GLN A 51 69.170 -1.513 -2.719 1.00 0.00 H new ATOM 0 HB2 GLN A 51 67.551 -2.679 -1.040 1.00 0.00 H new ATOM 0 HB3 GLN A 51 67.548 -4.057 -2.123 1.00 0.00 H new ATOM 0 HG2 GLN A 51 70.101 -4.102 -1.956 1.00 0.00 H new ATOM 0 HG3 GLN A 51 69.994 -2.848 -0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 51 70.185 -3.753 1.321 1.00 0.00 H new ATOM 0 HE22 GLN A 51 69.449 -5.283 1.811 1.00 0.00 H new ATOM 806 N ASN A 52 68.163 -3.724 -4.907 1.00 0.00 N ATOM 807 CA ASN A 52 68.648 -4.509 -6.087 1.00 0.00 C ATOM 808 C ASN A 52 69.112 -3.568 -7.209 1.00 0.00 C ATOM 809 O ASN A 52 69.883 -3.958 -8.068 1.00 0.00 O ATOM 810 CB ASN A 52 67.443 -5.335 -6.546 1.00 0.00 C ATOM 811 CG ASN A 52 67.044 -6.324 -5.447 1.00 0.00 C ATOM 812 OD1 ASN A 52 67.838 -6.654 -4.588 1.00 0.00 O ATOM 813 ND2 ASN A 52 65.834 -6.813 -5.436 1.00 0.00 N ATOM 0 H ASN A 52 67.154 -3.745 -4.760 1.00 0.00 H new ATOM 0 HA ASN A 52 69.500 -5.139 -5.831 1.00 0.00 H new ATOM 0 HB2 ASN A 52 66.606 -4.676 -6.777 1.00 0.00 H new ATOM 0 HB3 ASN A 52 67.687 -5.874 -7.462 1.00 0.00 H new ATOM 0 HD21 ASN A 52 65.556 -7.471 -4.707 1.00 0.00 H new ATOM 0 HD22 ASN A 52 65.166 -6.537 -6.156 1.00 0.00 H new ATOM 820 N ALA A 53 68.648 -2.338 -7.210 1.00 0.00 N ATOM 821 CA ALA A 53 69.031 -1.384 -8.298 1.00 0.00 C ATOM 822 C ALA A 53 70.470 -0.906 -8.097 1.00 0.00 C ATOM 823 O ALA A 53 70.919 -0.720 -6.980 1.00 0.00 O ATOM 824 CB ALA A 53 68.054 -0.214 -8.175 1.00 0.00 C ATOM 0 H ALA A 53 68.020 -1.956 -6.503 1.00 0.00 H new ATOM 0 HA ALA A 53 68.983 -1.846 -9.284 1.00 0.00 H new ATOM 0 HB1 ALA A 53 68.275 0.527 -8.943 1.00 0.00 H new ATOM 0 HB2 ALA A 53 67.034 -0.577 -8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 53 68.155 0.243 -7.190 1.00 0.00 H new ATOM 830 N GLU A 54 71.192 -0.706 -9.172 1.00 0.00 N ATOM 831 CA GLU A 54 72.615 -0.261 -9.057 1.00 0.00 C ATOM 832 C GLU A 54 72.700 1.273 -8.998 1.00 0.00 C ATOM 833 O GLU A 54 71.935 1.971 -9.636 1.00 0.00 O ATOM 834 CB GLU A 54 73.325 -0.822 -10.306 1.00 0.00 C ATOM 835 CG GLU A 54 72.814 -0.145 -11.593 1.00 0.00 C ATOM 836 CD GLU A 54 73.498 -0.765 -12.819 1.00 0.00 C ATOM 837 OE1 GLU A 54 74.598 -1.277 -12.674 1.00 0.00 O ATOM 838 OE2 GLU A 54 72.909 -0.716 -13.886 1.00 0.00 O ATOM 0 H GLU A 54 70.856 -0.832 -10.127 1.00 0.00 H new ATOM 0 HA GLU A 54 73.085 -0.624 -8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 54 74.400 -0.669 -10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 54 73.160 -1.898 -10.368 1.00 0.00 H new ATOM 0 HG2 GLU A 54 71.733 -0.262 -11.671 1.00 0.00 H new ATOM 0 HG3 GLU A 54 73.016 0.925 -11.556 1.00 0.00 H new ATOM 845 N VAL A 55 73.631 1.790 -8.235 1.00 0.00 N ATOM 846 CA VAL A 55 73.848 3.269 -8.194 1.00 0.00 C ATOM 847 C VAL A 55 75.082 3.621 -9.025 1.00 0.00 C ATOM 848 O VAL A 55 76.153 3.090 -8.797 1.00 0.00 O ATOM 849 CB VAL A 55 74.092 3.598 -6.713 1.00 0.00 C ATOM 850 CG1 VAL A 55 74.339 5.103 -6.541 1.00 0.00 C ATOM 851 CG2 VAL A 55 72.866 3.195 -5.890 1.00 0.00 C ATOM 0 H VAL A 55 74.253 1.248 -7.636 1.00 0.00 H new ATOM 0 HA VAL A 55 73.004 3.829 -8.598 1.00 0.00 H new ATOM 0 HB VAL A 55 74.967 3.047 -6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.511 5.325 -5.488 1.00 0.00 H new ATOM 0 HG12 VAL A 55 75.214 5.397 -7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 55 73.468 5.657 -6.892 1.00 0.00 H new ATOM 0 HG21 VAL A 55 73.040 3.429 -4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 55 71.994 3.744 -6.244 1.00 0.00 H new ATOM 0 HG23 VAL A 55 72.690 2.125 -5.999 1.00 0.00 H new ATOM 861 N VAL A 56 74.939 4.505 -9.981 1.00 0.00 N ATOM 862 CA VAL A 56 76.122 4.936 -10.785 1.00 0.00 C ATOM 863 C VAL A 56 76.276 6.451 -10.698 1.00 0.00 C ATOM 864 O VAL A 56 75.451 7.198 -11.193 1.00 0.00 O ATOM 865 CB VAL A 56 75.850 4.503 -12.229 1.00 0.00 C ATOM 866 CG1 VAL A 56 77.090 4.805 -13.068 1.00 0.00 C ATOM 867 CG2 VAL A 56 75.560 2.998 -12.286 1.00 0.00 C ATOM 0 H VAL A 56 74.056 4.946 -10.238 1.00 0.00 H new ATOM 0 HA VAL A 56 77.044 4.488 -10.416 1.00 0.00 H new ATOM 0 HB VAL A 56 74.985 5.044 -12.614 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.913 4.503 -14.100 1.00 0.00 H new ATOM 0 HG12 VAL A 56 77.301 5.874 -13.034 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.942 4.254 -12.669 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.368 2.703 -13.318 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.420 2.447 -11.905 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.685 2.773 -11.676 1.00 0.00 H new ATOM 877 N LEU A 57 77.326 6.902 -10.071 1.00 0.00 N ATOM 878 CA LEU A 57 77.481 8.363 -9.804 1.00 0.00 C ATOM 879 C LEU A 57 78.852 8.851 -10.283 1.00 0.00 C ATOM 880 O LEU A 57 79.866 8.229 -10.025 1.00 0.00 O ATOM 881 CB LEU A 57 77.313 8.474 -8.291 1.00 0.00 C ATOM 882 CG LEU A 57 75.815 8.557 -7.975 1.00 0.00 C ATOM 883 CD1 LEU A 57 75.533 7.936 -6.610 1.00 0.00 C ATOM 884 CD2 LEU A 57 75.386 10.026 -7.943 1.00 0.00 C ATOM 0 H LEU A 57 78.090 6.319 -9.729 1.00 0.00 H new ATOM 0 HA LEU A 57 76.759 8.985 -10.334 1.00 0.00 H new ATOM 0 HB2 LEU A 57 77.758 7.611 -7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 57 77.829 9.358 -7.916 1.00 0.00 H new ATOM 0 HG LEU A 57 75.261 8.017 -8.743 1.00 0.00 H new ATOM 0 HD11 LEU A 57 74.466 8.000 -6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 57 75.840 6.890 -6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 57 76.091 8.474 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 57 74.321 10.089 -7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 57 75.951 10.553 -7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 57 75.580 10.483 -8.913 1.00 0.00 H new ATOM 896 N LYS A 58 78.881 9.960 -10.980 1.00 0.00 N ATOM 897 CA LYS A 58 80.168 10.462 -11.559 1.00 0.00 C ATOM 898 C LYS A 58 81.048 11.078 -10.469 1.00 0.00 C ATOM 899 O LYS A 58 80.562 11.711 -9.551 1.00 0.00 O ATOM 900 CB LYS A 58 79.760 11.532 -12.576 1.00 0.00 C ATOM 901 CG LYS A 58 78.958 10.884 -13.705 1.00 0.00 C ATOM 902 CD LYS A 58 78.645 11.932 -14.776 1.00 0.00 C ATOM 903 CE LYS A 58 77.743 11.316 -15.849 1.00 0.00 C ATOM 904 NZ LYS A 58 78.669 10.922 -16.948 1.00 0.00 N ATOM 0 H LYS A 58 78.066 10.542 -11.174 1.00 0.00 H new ATOM 0 HA LYS A 58 80.746 9.658 -12.015 1.00 0.00 H new ATOM 0 HB2 LYS A 58 79.164 12.303 -12.089 1.00 0.00 H new ATOM 0 HB3 LYS A 58 80.646 12.022 -12.980 1.00 0.00 H new ATOM 0 HG2 LYS A 58 79.524 10.061 -14.141 1.00 0.00 H new ATOM 0 HG3 LYS A 58 78.033 10.462 -13.312 1.00 0.00 H new ATOM 0 HD2 LYS A 58 78.153 12.793 -14.324 1.00 0.00 H new ATOM 0 HD3 LYS A 58 79.569 12.293 -15.227 1.00 0.00 H new ATOM 0 HE2 LYS A 58 77.200 10.454 -15.462 1.00 0.00 H new ATOM 0 HE3 LYS A 58 76.998 12.031 -16.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 78.125 10.491 -17.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 79.167 11.764 -17.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 79.362 10.235 -16.588 1.00 0.00 H new ATOM 918 N CYS A 59 82.342 10.895 -10.569 1.00 0.00 N ATOM 919 CA CYS A 59 83.286 11.535 -9.590 1.00 0.00 C ATOM 920 C CYS A 59 83.076 13.057 -9.543 1.00 0.00 C ATOM 921 O CYS A 59 83.258 13.683 -8.515 1.00 0.00 O ATOM 922 CB CYS A 59 84.699 11.199 -10.099 1.00 0.00 C ATOM 923 SG CYS A 59 84.938 11.826 -11.787 1.00 0.00 S ATOM 0 H CYS A 59 82.790 10.328 -11.289 1.00 0.00 H new ATOM 0 HA CYS A 59 83.123 11.167 -8.577 1.00 0.00 H new ATOM 0 HB2 CYS A 59 85.444 11.636 -9.434 1.00 0.00 H new ATOM 0 HB3 CYS A 59 84.850 10.120 -10.082 1.00 0.00 H new ATOM 0 HG CYS A 59 86.138 11.532 -12.193 1.00 0.00 H new ATOM 929 N THR A 60 82.694 13.645 -10.651 1.00 0.00 N ATOM 930 CA THR A 60 82.484 15.129 -10.689 1.00 0.00 C ATOM 931 C THR A 60 81.325 15.519 -9.769 1.00 0.00 C ATOM 932 O THR A 60 81.277 16.621 -9.254 1.00 0.00 O ATOM 933 CB THR A 60 82.146 15.459 -12.147 1.00 0.00 C ATOM 934 OG1 THR A 60 80.971 14.757 -12.529 1.00 0.00 O ATOM 935 CG2 THR A 60 83.308 15.049 -13.054 1.00 0.00 C ATOM 0 H THR A 60 82.518 13.162 -11.532 1.00 0.00 H new ATOM 0 HA THR A 60 83.364 15.675 -10.348 1.00 0.00 H new ATOM 0 HB THR A 60 81.978 16.531 -12.245 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.752 14.968 -13.461 1.00 0.00 H new ATOM 0 HG21 THR A 60 83.063 15.286 -14.089 1.00 0.00 H new ATOM 0 HG22 THR A 60 84.207 15.591 -12.761 1.00 0.00 H new ATOM 0 HG23 THR A 60 83.483 13.977 -12.959 1.00 0.00 H new ATOM 943 N ASP A 61 80.391 14.621 -9.562 1.00 0.00 N ATOM 944 CA ASP A 61 79.264 14.900 -8.622 1.00 0.00 C ATOM 945 C ASP A 61 79.642 14.469 -7.200 1.00 0.00 C ATOM 946 O ASP A 61 79.100 14.968 -6.230 1.00 0.00 O ATOM 947 CB ASP A 61 78.089 14.071 -9.146 1.00 0.00 C ATOM 948 CG ASP A 61 77.695 14.551 -10.547 1.00 0.00 C ATOM 949 OD1 ASP A 61 77.880 15.724 -10.830 1.00 0.00 O ATOM 950 OD2 ASP A 61 77.214 13.734 -11.315 1.00 0.00 O ATOM 0 H ASP A 61 80.363 13.704 -10.007 1.00 0.00 H new ATOM 0 HA ASP A 61 79.019 15.961 -8.576 1.00 0.00 H new ATOM 0 HB2 ASP A 61 78.362 13.016 -9.177 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.239 14.160 -8.469 1.00 0.00 H new ATOM 955 N ILE A 62 80.568 13.546 -7.071 1.00 0.00 N ATOM 956 CA ILE A 62 81.035 13.123 -5.714 1.00 0.00 C ATOM 957 C ILE A 62 82.062 14.127 -5.181 1.00 0.00 C ATOM 958 O ILE A 62 82.837 14.690 -5.933 1.00 0.00 O ATOM 959 CB ILE A 62 81.681 11.745 -5.920 1.00 0.00 C ATOM 960 CG1 ILE A 62 80.650 10.771 -6.500 1.00 0.00 C ATOM 961 CG2 ILE A 62 82.183 11.203 -4.578 1.00 0.00 C ATOM 962 CD1 ILE A 62 81.339 9.457 -6.870 1.00 0.00 C ATOM 0 H ILE A 62 81.020 13.068 -7.850 1.00 0.00 H new ATOM 0 HA ILE A 62 80.221 13.080 -4.990 1.00 0.00 H new ATOM 0 HB ILE A 62 82.518 11.846 -6.611 1.00 0.00 H new ATOM 0 HG12 ILE A 62 79.859 10.587 -5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 62 80.178 11.207 -7.381 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.641 10.225 -4.729 1.00 0.00 H new ATOM 0 HG22 ILE A 62 82.921 11.889 -4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 62 81.345 11.109 -3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 62 80.605 8.765 -7.282 1.00 0.00 H new ATOM 0 HD12 ILE A 62 82.114 9.649 -7.612 1.00 0.00 H new ATOM 0 HD13 ILE A 62 81.790 9.019 -5.979 1.00 0.00 H new ATOM 974 N ARG A 63 82.070 14.351 -3.889 1.00 0.00 N ATOM 975 CA ARG A 63 83.034 15.321 -3.293 1.00 0.00 C ATOM 976 C ARG A 63 84.216 14.574 -2.668 1.00 0.00 C ATOM 977 O ARG A 63 85.332 15.061 -2.669 1.00 0.00 O ATOM 978 CB ARG A 63 82.239 16.069 -2.221 1.00 0.00 C ATOM 979 CG ARG A 63 83.112 17.165 -1.608 1.00 0.00 C ATOM 980 CD ARG A 63 83.288 18.303 -2.618 1.00 0.00 C ATOM 981 NE ARG A 63 84.203 19.283 -1.948 1.00 0.00 N ATOM 982 CZ ARG A 63 84.903 20.167 -2.639 1.00 0.00 C ATOM 983 NH1 ARG A 63 84.833 20.240 -3.951 1.00 0.00 N ATOM 984 NH2 ARG A 63 85.685 20.993 -2.000 1.00 0.00 N ATOM 0 H ARG A 63 81.446 13.900 -3.220 1.00 0.00 H new ATOM 0 HA ARG A 63 83.447 16.002 -4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 63 81.342 16.507 -2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 63 81.911 15.375 -1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 63 82.652 17.543 -0.695 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.084 16.758 -1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.717 17.938 -3.552 1.00 0.00 H new ATOM 0 HD3 ARG A 63 82.331 18.763 -2.865 1.00 0.00 H new ATOM 0 HE ARG A 63 84.288 19.268 -0.932 1.00 0.00 H new ATOM 0 HH11 ARG A 63 84.225 19.603 -4.466 1.00 0.00 H new ATOM 0 HH12 ARG A 63 85.387 20.934 -4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 63 85.749 20.951 -0.983 1.00 0.00 H new ATOM 0 HH22 ARG A 63 86.232 21.681 -2.518 1.00 0.00 H new ATOM 998 N SER A 64 83.978 13.396 -2.138 1.00 0.00 N ATOM 999 CA SER A 64 85.098 12.601 -1.538 1.00 0.00 C ATOM 1000 C SER A 64 84.705 11.127 -1.417 1.00 0.00 C ATOM 1001 O SER A 64 83.538 10.790 -1.358 1.00 0.00 O ATOM 1002 CB SER A 64 85.328 13.213 -0.159 1.00 0.00 C ATOM 1003 OG SER A 64 84.231 12.891 0.687 1.00 0.00 O ATOM 0 H SER A 64 83.060 12.953 -2.095 1.00 0.00 H new ATOM 0 HA SER A 64 85.998 12.635 -2.152 1.00 0.00 H new ATOM 0 HB2 SER A 64 86.256 12.834 0.269 1.00 0.00 H new ATOM 0 HB3 SER A 64 85.433 14.295 -0.241 1.00 0.00 H new ATOM 0 HG SER A 64 84.376 13.281 1.574 1.00 0.00 H new ATOM 1009 N ILE A 65 85.679 10.246 -1.375 1.00 0.00 N ATOM 1010 CA ILE A 65 85.377 8.782 -1.292 1.00 0.00 C ATOM 1011 C ILE A 65 86.365 8.101 -0.338 1.00 0.00 C ATOM 1012 O ILE A 65 87.499 8.520 -0.202 1.00 0.00 O ATOM 1013 CB ILE A 65 85.539 8.224 -2.713 1.00 0.00 C ATOM 1014 CG1 ILE A 65 84.620 8.979 -3.686 1.00 0.00 C ATOM 1015 CG2 ILE A 65 85.174 6.733 -2.711 1.00 0.00 C ATOM 1016 CD1 ILE A 65 84.857 8.483 -5.116 1.00 0.00 C ATOM 0 H ILE A 65 86.672 10.480 -1.395 1.00 0.00 H new ATOM 0 HA ILE A 65 84.371 8.602 -0.913 1.00 0.00 H new ATOM 0 HB ILE A 65 86.572 8.352 -3.035 1.00 0.00 H new ATOM 0 HG12 ILE A 65 83.577 8.827 -3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 65 84.814 10.050 -3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 65 85.287 6.329 -3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 65 85.835 6.198 -2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 65 84.141 6.612 -2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 65 84.203 9.022 -5.801 1.00 0.00 H new ATOM 0 HD12 ILE A 65 85.896 8.658 -5.394 1.00 0.00 H new ATOM 0 HD13 ILE A 65 84.641 7.416 -5.172 1.00 0.00 H new ATOM 1028 N ASP A 66 85.932 7.053 0.319 1.00 0.00 N ATOM 1029 CA ASP A 66 86.848 6.290 1.222 1.00 0.00 C ATOM 1030 C ASP A 66 86.632 4.781 1.052 1.00 0.00 C ATOM 1031 O ASP A 66 85.514 4.307 1.097 1.00 0.00 O ATOM 1032 CB ASP A 66 86.471 6.740 2.639 1.00 0.00 C ATOM 1033 CG ASP A 66 85.000 6.413 2.929 1.00 0.00 C ATOM 1034 OD1 ASP A 66 84.161 7.255 2.654 1.00 0.00 O ATOM 1035 OD2 ASP A 66 84.742 5.327 3.421 1.00 0.00 O ATOM 0 H ASP A 66 84.979 6.692 0.268 1.00 0.00 H new ATOM 0 HA ASP A 66 87.899 6.480 1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 66 87.111 6.243 3.368 1.00 0.00 H new ATOM 0 HB3 ASP A 66 86.640 7.812 2.744 1.00 0.00 H new ATOM 1040 N LEU A 67 87.691 4.031 0.858 1.00 0.00 N ATOM 1041 CA LEU A 67 87.561 2.540 0.830 1.00 0.00 C ATOM 1042 C LEU A 67 87.403 2.009 2.257 1.00 0.00 C ATOM 1043 O LEU A 67 88.311 2.102 3.062 1.00 0.00 O ATOM 1044 CB LEU A 67 88.870 2.035 0.215 1.00 0.00 C ATOM 1045 CG LEU A 67 88.727 1.944 -1.310 1.00 0.00 C ATOM 1046 CD1 LEU A 67 90.043 2.361 -1.974 1.00 0.00 C ATOM 1047 CD2 LEU A 67 88.400 0.501 -1.711 1.00 0.00 C ATOM 0 H LEU A 67 88.637 4.386 0.718 1.00 0.00 H new ATOM 0 HA LEU A 67 86.692 2.209 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 67 89.687 2.708 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 67 89.121 1.057 0.625 1.00 0.00 H new ATOM 0 HG LEU A 67 87.924 2.606 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 67 89.941 2.296 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 67 90.283 3.386 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 67 90.843 1.698 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 67 88.299 0.438 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 67 89.203 -0.159 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 67 87.465 0.196 -1.241 1.00 0.00 H new ATOM 1059 N ILE A 68 86.257 1.455 2.573 1.00 0.00 N ATOM 1060 CA ILE A 68 86.011 0.964 3.966 1.00 0.00 C ATOM 1061 C ILE A 68 86.780 -0.339 4.208 1.00 0.00 C ATOM 1062 O ILE A 68 87.553 -0.448 5.143 1.00 0.00 O ATOM 1063 CB ILE A 68 84.496 0.725 4.054 1.00 0.00 C ATOM 1064 CG1 ILE A 68 83.751 2.034 3.769 1.00 0.00 C ATOM 1065 CG2 ILE A 68 84.129 0.235 5.458 1.00 0.00 C ATOM 1066 CD1 ILE A 68 82.247 1.762 3.693 1.00 0.00 C ATOM 0 H ILE A 68 85.480 1.321 1.925 1.00 0.00 H new ATOM 0 HA ILE A 68 86.348 1.677 4.718 1.00 0.00 H new ATOM 0 HB ILE A 68 84.212 -0.028 3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 68 83.960 2.762 4.553 1.00 0.00 H new ATOM 0 HG13 ILE A 68 84.100 2.467 2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 68 83.054 0.067 5.515 1.00 0.00 H new ATOM 0 HG22 ILE A 68 84.654 -0.697 5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 68 84.418 0.986 6.193 1.00 0.00 H new ATOM 0 HD11 ILE A 68 81.719 2.694 3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 68 82.046 1.049 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 68 81.904 1.349 4.641 1.00 0.00 H new ATOM 1078 N GLU A 69 86.569 -1.322 3.368 1.00 0.00 N ATOM 1079 CA GLU A 69 87.232 -2.647 3.569 1.00 0.00 C ATOM 1080 C GLU A 69 87.756 -3.193 2.227 1.00 0.00 C ATOM 1081 O GLU A 69 87.071 -3.091 1.227 1.00 0.00 O ATOM 1082 CB GLU A 69 86.135 -3.556 4.123 1.00 0.00 C ATOM 1083 CG GLU A 69 86.017 -3.352 5.635 1.00 0.00 C ATOM 1084 CD GLU A 69 86.900 -4.371 6.358 1.00 0.00 C ATOM 1085 OE1 GLU A 69 88.072 -4.086 6.542 1.00 0.00 O ATOM 1086 OE2 GLU A 69 86.389 -5.420 6.715 1.00 0.00 O ATOM 0 H GLU A 69 85.964 -1.263 2.549 1.00 0.00 H new ATOM 0 HA GLU A 69 88.089 -2.581 4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.184 -3.332 3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.366 -4.598 3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 69 86.320 -2.339 5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 69 84.979 -3.467 5.948 1.00 0.00 H new