USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=9 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= -0.707 USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.71,f=-1.8!) USER MOD Single : A 11 CYS SG : rot -167:sc= -7.54! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.349 USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= 1.17 (180deg=0.11) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 32 SER OG : rot 160:sc= -0.52 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.51 USER MOD Single : A 44 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.1!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc=-0.00122 K(o=-0.0012,f=-1.3) USER MOD Single : A 52 ASN : amide:sc= -0.155 X(o=-0.15,f=-0.015) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.468 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 90.781 -3.954 -9.649 1.00 0.00 N ATOM 102 CA ASP A 7 91.138 -4.708 -8.406 1.00 0.00 C ATOM 103 C ASP A 7 90.188 -4.326 -7.265 1.00 0.00 C ATOM 104 O ASP A 7 89.948 -5.110 -6.365 1.00 0.00 O ATOM 105 CB ASP A 7 92.576 -4.301 -8.072 1.00 0.00 C ATOM 106 CG ASP A 7 93.094 -5.157 -6.915 1.00 0.00 C ATOM 107 OD1 ASP A 7 93.558 -6.255 -7.179 1.00 0.00 O ATOM 108 OD2 ASP A 7 93.018 -4.702 -5.787 1.00 0.00 O ATOM 0 HA ASP A 7 91.052 -5.786 -8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 7 93.214 -4.429 -8.947 1.00 0.00 H new ATOM 0 HB3 ASP A 7 92.613 -3.246 -7.802 1.00 0.00 H new ATOM 113 N TRP A 8 89.649 -3.129 -7.298 1.00 0.00 N ATOM 114 CA TRP A 8 88.742 -2.678 -6.198 1.00 0.00 C ATOM 115 C TRP A 8 87.349 -3.303 -6.327 1.00 0.00 C ATOM 116 O TRP A 8 86.569 -3.258 -5.398 1.00 0.00 O ATOM 117 CB TRP A 8 88.652 -1.158 -6.319 1.00 0.00 C ATOM 118 CG TRP A 8 89.694 -0.429 -5.533 1.00 0.00 C ATOM 119 CD1 TRP A 8 90.376 0.653 -5.980 1.00 0.00 C ATOM 120 CD2 TRP A 8 90.184 -0.698 -4.182 1.00 0.00 C ATOM 121 NE1 TRP A 8 91.261 1.075 -5.000 1.00 0.00 N ATOM 122 CE2 TRP A 8 91.195 0.286 -3.873 1.00 0.00 C ATOM 123 CE3 TRP A 8 89.868 -1.692 -3.182 1.00 0.00 C ATOM 124 CZ2 TRP A 8 91.876 0.289 -2.617 1.00 0.00 C ATOM 125 CZ3 TRP A 8 90.550 -1.692 -1.917 1.00 0.00 C ATOM 126 CH2 TRP A 8 91.554 -0.705 -1.637 1.00 0.00 C ATOM 0 H TRP A 8 89.799 -2.446 -8.041 1.00 0.00 H new ATOM 0 HA TRP A 8 89.132 -2.986 -5.228 1.00 0.00 H new ATOM 0 HB2 TRP A 8 88.741 -0.880 -7.369 1.00 0.00 H new ATOM 0 HB3 TRP A 8 87.666 -0.834 -5.986 1.00 0.00 H new ATOM 0 HD1 TRP A 8 90.250 1.114 -6.948 1.00 0.00 H new ATOM 0 HE1 TRP A 8 91.886 1.874 -5.101 1.00 0.00 H new ATOM 0 HE3 TRP A 8 89.115 -2.439 -3.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 92.628 1.035 -2.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 90.306 -2.437 -1.174 1.00 0.00 H new ATOM 0 HH2 TRP A 8 92.067 -0.712 -0.687 1.00 0.00 H new ATOM 137 N ILE A 9 87.017 -3.891 -7.459 1.00 0.00 N ATOM 138 CA ILE A 9 85.606 -4.360 -7.676 1.00 0.00 C ATOM 139 C ILE A 9 85.186 -5.322 -6.548 1.00 0.00 C ATOM 140 O ILE A 9 85.908 -6.235 -6.195 1.00 0.00 O ATOM 141 CB ILE A 9 85.607 -5.074 -9.042 1.00 0.00 C ATOM 142 CG1 ILE A 9 86.024 -4.099 -10.162 1.00 0.00 C ATOM 143 CG2 ILE A 9 84.204 -5.616 -9.348 1.00 0.00 C ATOM 144 CD1 ILE A 9 85.082 -2.889 -10.204 1.00 0.00 C ATOM 0 H ILE A 9 87.657 -4.065 -8.234 1.00 0.00 H new ATOM 0 HA ILE A 9 84.895 -3.534 -7.666 1.00 0.00 H new ATOM 0 HB ILE A 9 86.321 -5.896 -8.998 1.00 0.00 H new ATOM 0 HG12 ILE A 9 87.048 -3.764 -9.997 1.00 0.00 H new ATOM 0 HG13 ILE A 9 86.008 -4.613 -11.123 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.211 -6.119 -10.315 1.00 0.00 H new ATOM 0 HG22 ILE A 9 83.910 -6.323 -8.573 1.00 0.00 H new ATOM 0 HG23 ILE A 9 83.493 -4.790 -9.374 1.00 0.00 H new ATOM 0 HD11 ILE A 9 85.393 -2.213 -11.001 1.00 0.00 H new ATOM 0 HD12 ILE A 9 84.063 -3.227 -10.392 1.00 0.00 H new ATOM 0 HD13 ILE A 9 85.119 -2.365 -9.249 1.00 0.00 H new ATOM 156 N GLY A 10 84.020 -5.108 -5.993 1.00 0.00 N ATOM 157 CA GLY A 10 83.544 -5.958 -4.861 1.00 0.00 C ATOM 158 C GLY A 10 84.077 -5.463 -3.504 1.00 0.00 C ATOM 159 O GLY A 10 83.766 -6.047 -2.481 1.00 0.00 O ATOM 0 H GLY A 10 83.372 -4.374 -6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 10 82.454 -5.961 -4.843 1.00 0.00 H new ATOM 0 HA3 GLY A 10 83.863 -6.988 -5.022 1.00 0.00 H new ATOM 163 N CYS A 11 84.871 -4.405 -3.470 1.00 0.00 N ATOM 164 CA CYS A 11 85.342 -3.872 -2.144 1.00 0.00 C ATOM 165 C CYS A 11 84.283 -2.934 -1.534 1.00 0.00 C ATOM 166 O CYS A 11 83.478 -2.361 -2.243 1.00 0.00 O ATOM 167 CB CYS A 11 86.705 -3.171 -2.415 1.00 0.00 C ATOM 168 SG CYS A 11 86.526 -1.491 -3.104 1.00 0.00 S ATOM 0 H CYS A 11 85.206 -3.898 -4.289 1.00 0.00 H new ATOM 0 HA CYS A 11 85.482 -4.662 -1.406 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.269 -3.116 -1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 11 87.288 -3.780 -3.106 1.00 0.00 H new ATOM 0 HG CYS A 11 87.674 -1.084 -3.558 1.00 0.00 H new ATOM 174 N ALA A 12 84.285 -2.785 -0.232 1.00 0.00 N ATOM 175 CA ALA A 12 83.220 -1.978 0.440 1.00 0.00 C ATOM 176 C ALA A 12 83.650 -0.512 0.530 1.00 0.00 C ATOM 177 O ALA A 12 84.654 -0.199 1.143 1.00 0.00 O ATOM 178 CB ALA A 12 83.090 -2.586 1.838 1.00 0.00 C ATOM 0 H ALA A 12 84.980 -3.189 0.396 1.00 0.00 H new ATOM 0 HA ALA A 12 82.276 -2.000 -0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 12 82.325 -2.049 2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 12 82.808 -3.635 1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 12 84.044 -2.508 2.359 1.00 0.00 H new ATOM 184 N VAL A 13 82.900 0.381 -0.069 1.00 0.00 N ATOM 185 CA VAL A 13 83.296 1.825 -0.061 1.00 0.00 C ATOM 186 C VAL A 13 82.086 2.717 0.228 1.00 0.00 C ATOM 187 O VAL A 13 80.949 2.303 0.080 1.00 0.00 O ATOM 188 CB VAL A 13 83.858 2.102 -1.460 1.00 0.00 C ATOM 189 CG1 VAL A 13 85.076 1.210 -1.700 1.00 0.00 C ATOM 190 CG2 VAL A 13 82.796 1.804 -2.525 1.00 0.00 C ATOM 0 H VAL A 13 82.032 0.173 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 13 84.030 2.039 0.716 1.00 0.00 H new ATOM 0 HB VAL A 13 84.145 3.151 -1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.479 1.404 -2.694 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.838 1.426 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.781 0.163 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.207 2.004 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.500 0.757 -2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 13 81.925 2.438 -2.358 1.00 0.00 H new ATOM 200 N SER A 14 82.332 3.936 0.638 1.00 0.00 N ATOM 201 CA SER A 14 81.218 4.896 0.873 1.00 0.00 C ATOM 202 C SER A 14 81.508 6.199 0.138 1.00 0.00 C ATOM 203 O SER A 14 82.634 6.657 0.099 1.00 0.00 O ATOM 204 CB SER A 14 81.190 5.120 2.385 1.00 0.00 C ATOM 205 OG SER A 14 80.382 6.252 2.677 1.00 0.00 O ATOM 0 H SER A 14 83.264 4.307 0.820 1.00 0.00 H new ATOM 0 HA SER A 14 80.260 4.524 0.510 1.00 0.00 H new ATOM 0 HB2 SER A 14 80.795 4.237 2.888 1.00 0.00 H new ATOM 0 HB3 SER A 14 82.202 5.274 2.760 1.00 0.00 H new ATOM 0 HG SER A 14 80.361 6.397 3.646 1.00 0.00 H new ATOM 211 N ILE A 15 80.499 6.793 -0.445 1.00 0.00 N ATOM 212 CA ILE A 15 80.731 7.990 -1.309 1.00 0.00 C ATOM 213 C ILE A 15 80.007 9.198 -0.721 1.00 0.00 C ATOM 214 O ILE A 15 78.799 9.183 -0.555 1.00 0.00 O ATOM 215 CB ILE A 15 80.144 7.642 -2.693 1.00 0.00 C ATOM 216 CG1 ILE A 15 80.606 6.248 -3.186 1.00 0.00 C ATOM 217 CG2 ILE A 15 80.601 8.695 -3.702 1.00 0.00 C ATOM 218 CD1 ILE A 15 82.133 6.121 -3.134 1.00 0.00 C ATOM 0 H ILE A 15 79.525 6.502 -0.361 1.00 0.00 H new ATOM 0 HA ILE A 15 81.790 8.237 -1.379 1.00 0.00 H new ATOM 0 HB ILE A 15 79.058 7.626 -2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.152 5.472 -2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.259 6.087 -4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.192 8.459 -4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.248 9.677 -3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.690 8.701 -3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 15 82.428 5.132 -3.486 1.00 0.00 H new ATOM 0 HD12 ILE A 15 82.583 6.882 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 15 82.475 6.258 -2.108 1.00 0.00 H new ATOM 230 N ALA A 16 80.738 10.239 -0.408 1.00 0.00 N ATOM 231 CA ALA A 16 80.099 11.484 0.106 1.00 0.00 C ATOM 232 C ALA A 16 79.938 12.484 -1.038 1.00 0.00 C ATOM 233 O ALA A 16 80.907 13.024 -1.540 1.00 0.00 O ATOM 234 CB ALA A 16 81.064 12.022 1.162 1.00 0.00 C ATOM 0 H ALA A 16 81.754 10.278 -0.488 1.00 0.00 H new ATOM 0 HA ALA A 16 79.108 11.306 0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.662 12.941 1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.190 11.281 1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.030 12.228 0.701 1.00 0.00 H new ATOM 240 N CYS A 17 78.722 12.725 -1.454 1.00 0.00 N ATOM 241 CA CYS A 17 78.464 13.737 -2.522 1.00 0.00 C ATOM 242 C CYS A 17 78.080 15.070 -1.879 1.00 0.00 C ATOM 243 O CYS A 17 77.789 15.130 -0.698 1.00 0.00 O ATOM 244 CB CYS A 17 77.296 13.190 -3.351 1.00 0.00 C ATOM 245 SG CYS A 17 77.718 11.563 -4.035 1.00 0.00 S ATOM 0 H CYS A 17 77.888 12.259 -1.096 1.00 0.00 H new ATOM 0 HA CYS A 17 79.343 13.907 -3.144 1.00 0.00 H new ATOM 0 HB2 CYS A 17 76.405 13.110 -2.728 1.00 0.00 H new ATOM 0 HB3 CYS A 17 77.059 13.882 -4.159 1.00 0.00 H new ATOM 0 HG CYS A 17 76.718 11.113 -4.732 1.00 0.00 H new ATOM 251 N ASP A 18 78.075 16.137 -2.641 1.00 0.00 N ATOM 252 CA ASP A 18 77.754 17.482 -2.060 1.00 0.00 C ATOM 253 C ASP A 18 76.352 17.461 -1.431 1.00 0.00 C ATOM 254 O ASP A 18 75.602 16.520 -1.603 1.00 0.00 O ATOM 255 CB ASP A 18 77.817 18.469 -3.230 1.00 0.00 C ATOM 256 CG ASP A 18 79.240 18.516 -3.797 1.00 0.00 C ATOM 257 OD1 ASP A 18 80.172 18.295 -3.040 1.00 0.00 O ATOM 258 OD2 ASP A 18 79.373 18.773 -4.982 1.00 0.00 O ATOM 0 H ASP A 18 78.279 16.136 -3.640 1.00 0.00 H new ATOM 0 HA ASP A 18 78.452 17.765 -1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 18 77.116 18.169 -4.009 1.00 0.00 H new ATOM 0 HB3 ASP A 18 77.516 19.462 -2.896 1.00 0.00 H new ATOM 263 N GLU A 19 76.002 18.494 -0.707 1.00 0.00 N ATOM 264 CA GLU A 19 74.813 18.420 0.208 1.00 0.00 C ATOM 265 C GLU A 19 73.545 17.985 -0.540 1.00 0.00 C ATOM 266 O GLU A 19 72.705 17.297 0.013 1.00 0.00 O ATOM 267 CB GLU A 19 74.638 19.839 0.756 1.00 0.00 C ATOM 268 CG GLU A 19 75.848 20.207 1.624 1.00 0.00 C ATOM 269 CD GLU A 19 75.660 21.602 2.244 1.00 0.00 C ATOM 270 OE1 GLU A 19 74.845 22.361 1.740 1.00 0.00 O ATOM 271 OE2 GLU A 19 76.340 21.885 3.217 1.00 0.00 O ATOM 0 H GLU A 19 76.488 19.391 -0.708 1.00 0.00 H new ATOM 0 HA GLU A 19 74.971 17.682 0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 19 74.538 20.548 -0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 19 73.723 19.902 1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 19 75.976 19.466 2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.755 20.190 1.020 1.00 0.00 H new ATOM 278 N VAL A 20 73.400 18.376 -1.782 1.00 0.00 N ATOM 279 CA VAL A 20 72.141 18.056 -2.531 1.00 0.00 C ATOM 280 C VAL A 20 72.124 16.572 -2.931 1.00 0.00 C ATOM 281 O VAL A 20 71.072 15.989 -3.117 1.00 0.00 O ATOM 282 CB VAL A 20 72.166 18.961 -3.773 1.00 0.00 C ATOM 283 CG1 VAL A 20 70.914 18.718 -4.630 1.00 0.00 C ATOM 284 CG2 VAL A 20 72.202 20.432 -3.339 1.00 0.00 C ATOM 0 H VAL A 20 74.096 18.902 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 20 71.248 18.229 -1.930 1.00 0.00 H new ATOM 0 HB VAL A 20 73.055 18.728 -4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 20 70.942 19.364 -5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 20 70.887 17.676 -4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 20 70.023 18.941 -4.044 1.00 0.00 H new ATOM 0 HG21 VAL A 20 72.220 21.071 -4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 20 71.316 20.658 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 20 73.096 20.613 -2.742 1.00 0.00 H new ATOM 294 N LEU A 21 73.279 15.963 -3.061 1.00 0.00 N ATOM 295 CA LEU A 21 73.341 14.524 -3.464 1.00 0.00 C ATOM 296 C LEU A 21 73.334 13.592 -2.240 1.00 0.00 C ATOM 297 O LEU A 21 73.094 12.405 -2.368 1.00 0.00 O ATOM 298 CB LEU A 21 74.659 14.408 -4.222 1.00 0.00 C ATOM 299 CG LEU A 21 74.568 15.185 -5.537 1.00 0.00 C ATOM 300 CD1 LEU A 21 75.932 15.175 -6.230 1.00 0.00 C ATOM 301 CD2 LEU A 21 73.532 14.527 -6.452 1.00 0.00 C ATOM 0 H LEU A 21 74.185 16.404 -2.904 1.00 0.00 H new ATOM 0 HA LEU A 21 72.479 14.229 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 21 75.475 14.798 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 21 74.883 13.360 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 21 74.270 16.212 -5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 21 75.868 15.728 -7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 21 76.673 15.643 -5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 21 76.228 14.146 -6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 21 73.469 15.082 -7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 21 73.830 13.499 -6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.559 14.531 -5.961 1.00 0.00 H new ATOM 313 N GLY A 22 73.593 14.114 -1.061 1.00 0.00 N ATOM 314 CA GLY A 22 73.598 13.257 0.166 1.00 0.00 C ATOM 315 C GLY A 22 74.728 12.224 0.087 1.00 0.00 C ATOM 316 O GLY A 22 75.725 12.427 -0.584 1.00 0.00 O ATOM 0 H GLY A 22 73.801 15.099 -0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 22 73.726 13.879 1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 22 72.639 12.750 0.268 1.00 0.00 H new ATOM 320 N VAL A 23 74.577 11.116 0.773 1.00 0.00 N ATOM 321 CA VAL A 23 75.674 10.095 0.822 1.00 0.00 C ATOM 322 C VAL A 23 75.106 8.697 0.575 1.00 0.00 C ATOM 323 O VAL A 23 74.041 8.362 1.065 1.00 0.00 O ATOM 324 CB VAL A 23 76.260 10.181 2.239 1.00 0.00 C ATOM 325 CG1 VAL A 23 77.454 9.226 2.358 1.00 0.00 C ATOM 326 CG2 VAL A 23 76.727 11.611 2.531 1.00 0.00 C ATOM 0 H VAL A 23 73.740 10.873 1.303 1.00 0.00 H new ATOM 0 HA VAL A 23 76.430 10.281 0.059 1.00 0.00 H new ATOM 0 HB VAL A 23 75.490 9.902 2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 23 77.870 9.287 3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 23 77.125 8.205 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 23 78.217 9.506 1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 23 77.141 11.660 3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 23 77.492 11.898 1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 23 75.881 12.293 2.453 1.00 0.00 H new ATOM 336 N PHE A 24 75.810 7.881 -0.176 1.00 0.00 N ATOM 337 CA PHE A 24 75.369 6.465 -0.360 1.00 0.00 C ATOM 338 C PHE A 24 76.541 5.508 -0.117 1.00 0.00 C ATOM 339 O PHE A 24 77.690 5.878 -0.239 1.00 0.00 O ATOM 340 CB PHE A 24 74.870 6.354 -1.807 1.00 0.00 C ATOM 341 CG PHE A 24 75.944 6.544 -2.857 1.00 0.00 C ATOM 342 CD1 PHE A 24 76.688 5.410 -3.329 1.00 0.00 C ATOM 343 CD2 PHE A 24 76.228 7.851 -3.377 1.00 0.00 C ATOM 344 CE1 PHE A 24 77.711 5.585 -4.322 1.00 0.00 C ATOM 345 CE2 PHE A 24 77.252 8.021 -4.366 1.00 0.00 C ATOM 346 CZ PHE A 24 77.992 6.891 -4.839 1.00 0.00 C ATOM 0 H PHE A 24 76.667 8.136 -0.667 1.00 0.00 H new ATOM 0 HA PHE A 24 74.584 6.197 0.347 1.00 0.00 H new ATOM 0 HB2 PHE A 24 74.413 5.374 -1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 24 74.088 7.097 -1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 24 76.478 4.426 -2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 24 75.671 8.706 -3.024 1.00 0.00 H new ATOM 0 HE1 PHE A 24 78.268 4.732 -4.679 1.00 0.00 H new ATOM 0 HE2 PHE A 24 77.466 9.005 -4.755 1.00 0.00 H new ATOM 0 HZ PHE A 24 78.762 7.023 -5.585 1.00 0.00 H new ATOM 356 N GLN A 25 76.246 4.280 0.227 1.00 0.00 N ATOM 357 CA GLN A 25 77.326 3.280 0.494 1.00 0.00 C ATOM 358 C GLN A 25 76.958 1.938 -0.144 1.00 0.00 C ATOM 359 O GLN A 25 75.795 1.594 -0.242 1.00 0.00 O ATOM 360 CB GLN A 25 77.384 3.155 2.019 1.00 0.00 C ATOM 361 CG GLN A 25 77.746 4.514 2.628 1.00 0.00 C ATOM 362 CD GLN A 25 77.791 4.417 4.159 1.00 0.00 C ATOM 363 OE1 GLN A 25 77.545 3.371 4.730 1.00 0.00 O ATOM 364 NE2 GLN A 25 78.094 5.480 4.854 1.00 0.00 N ATOM 0 H GLN A 25 75.296 3.924 0.335 1.00 0.00 H new ATOM 0 HA GLN A 25 78.287 3.581 0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 25 76.422 2.816 2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 25 78.123 2.407 2.306 1.00 0.00 H new ATOM 0 HG2 GLN A 25 78.713 4.844 2.249 1.00 0.00 H new ATOM 0 HG3 GLN A 25 77.013 5.262 2.326 1.00 0.00 H new ATOM 0 HE21 GLN A 25 78.301 6.358 4.378 1.00 0.00 H new ATOM 0 HE22 GLN A 25 78.124 5.432 5.872 1.00 0.00 H new ATOM 373 N GLY A 26 77.938 1.185 -0.581 1.00 0.00 N ATOM 374 CA GLY A 26 77.646 -0.103 -1.282 1.00 0.00 C ATOM 375 C GLY A 26 78.952 -0.830 -1.606 1.00 0.00 C ATOM 376 O GLY A 26 80.030 -0.280 -1.468 1.00 0.00 O ATOM 0 H GLY A 26 78.928 1.408 -0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 26 77.015 -0.733 -0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 26 77.091 0.091 -2.200 1.00 0.00 H new ATOM 380 N LEU A 27 78.859 -2.067 -2.031 1.00 0.00 N ATOM 381 CA LEU A 27 80.064 -2.776 -2.555 1.00 0.00 C ATOM 382 C LEU A 27 80.191 -2.538 -4.062 1.00 0.00 C ATOM 383 O LEU A 27 79.226 -2.626 -4.798 1.00 0.00 O ATOM 384 CB LEU A 27 79.820 -4.258 -2.264 1.00 0.00 C ATOM 385 CG LEU A 27 79.872 -4.498 -0.754 1.00 0.00 C ATOM 386 CD1 LEU A 27 79.296 -5.880 -0.438 1.00 0.00 C ATOM 387 CD2 LEU A 27 81.329 -4.433 -0.279 1.00 0.00 C ATOM 0 H LEU A 27 77.999 -2.615 -2.037 1.00 0.00 H new ATOM 0 HA LEU A 27 80.986 -2.423 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 27 78.850 -4.562 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 27 80.572 -4.867 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 27 79.286 -3.734 -0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 27 79.333 -6.052 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 27 78.262 -5.930 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 27 79.883 -6.644 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 27 81.369 -4.604 0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 27 81.913 -5.199 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 27 81.742 -3.450 -0.506 1.00 0.00 H new ATOM 399 N ILE A 28 81.378 -2.237 -4.515 1.00 0.00 N ATOM 400 CA ILE A 28 81.573 -1.850 -5.949 1.00 0.00 C ATOM 401 C ILE A 28 81.293 -3.038 -6.876 1.00 0.00 C ATOM 402 O ILE A 28 81.696 -4.154 -6.613 1.00 0.00 O ATOM 403 CB ILE A 28 83.043 -1.403 -6.048 1.00 0.00 C ATOM 404 CG1 ILE A 28 83.268 -0.199 -5.121 1.00 0.00 C ATOM 405 CG2 ILE A 28 83.391 -1.014 -7.495 1.00 0.00 C ATOM 406 CD1 ILE A 28 84.749 0.192 -5.122 1.00 0.00 C ATOM 0 H ILE A 28 82.229 -2.242 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 28 80.889 -1.058 -6.256 1.00 0.00 H new ATOM 0 HB ILE A 28 83.687 -2.229 -5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 28 82.661 0.644 -5.451 1.00 0.00 H new ATOM 0 HG13 ILE A 28 82.949 -0.444 -4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 28 84.434 -0.701 -7.547 1.00 0.00 H new ATOM 0 HG22 ILE A 28 83.237 -1.872 -8.149 1.00 0.00 H new ATOM 0 HG23 ILE A 28 82.749 -0.193 -7.816 1.00 0.00 H new ATOM 0 HD11 ILE A 28 84.900 1.046 -4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 28 85.347 -0.648 -4.770 1.00 0.00 H new ATOM 0 HD13 ILE A 28 85.055 0.457 -6.134 1.00 0.00 H new ATOM 418 N LYS A 29 80.599 -2.792 -7.960 1.00 0.00 N ATOM 419 CA LYS A 29 80.432 -3.839 -9.010 1.00 0.00 C ATOM 420 C LYS A 29 81.288 -3.491 -10.231 1.00 0.00 C ATOM 421 O LYS A 29 81.743 -4.366 -10.947 1.00 0.00 O ATOM 422 CB LYS A 29 78.947 -3.816 -9.374 1.00 0.00 C ATOM 423 CG LYS A 29 78.656 -4.916 -10.397 1.00 0.00 C ATOM 424 CD LYS A 29 77.170 -4.900 -10.763 1.00 0.00 C ATOM 425 CE LYS A 29 76.852 -3.626 -11.548 1.00 0.00 C ATOM 426 NZ LYS A 29 75.633 -3.959 -12.339 1.00 0.00 N ATOM 0 H LYS A 29 80.139 -1.904 -8.162 1.00 0.00 H new ATOM 0 HA LYS A 29 80.745 -4.824 -8.664 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.340 -3.965 -8.481 1.00 0.00 H new ATOM 0 HB3 LYS A 29 78.677 -2.843 -9.784 1.00 0.00 H new ATOM 0 HG2 LYS A 29 79.262 -4.765 -11.290 1.00 0.00 H new ATOM 0 HG3 LYS A 29 78.929 -5.888 -9.987 1.00 0.00 H new ATOM 0 HD2 LYS A 29 76.922 -5.778 -11.359 1.00 0.00 H new ATOM 0 HD3 LYS A 29 76.561 -4.945 -9.860 1.00 0.00 H new ATOM 0 HE2 LYS A 29 76.672 -2.784 -10.879 1.00 0.00 H new ATOM 0 HE3 LYS A 29 77.681 -3.345 -12.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 75.068 -3.098 -12.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 75.914 -4.350 -13.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 75.066 -4.661 -11.823 1.00 0.00 H new ATOM 440 N GLN A 30 81.508 -2.219 -10.472 1.00 0.00 N ATOM 441 CA GLN A 30 82.324 -1.802 -11.653 1.00 0.00 C ATOM 442 C GLN A 30 82.875 -0.392 -11.436 1.00 0.00 C ATOM 443 O GLN A 30 82.260 0.426 -10.777 1.00 0.00 O ATOM 444 CB GLN A 30 81.358 -1.830 -12.838 1.00 0.00 C ATOM 445 CG GLN A 30 82.127 -1.545 -14.132 1.00 0.00 C ATOM 446 CD GLN A 30 81.177 -1.605 -15.335 1.00 0.00 C ATOM 447 OE1 GLN A 30 80.046 -2.037 -15.219 1.00 0.00 O ATOM 448 NE2 GLN A 30 81.596 -1.186 -16.498 1.00 0.00 N ATOM 0 H GLN A 30 81.156 -1.452 -9.899 1.00 0.00 H new ATOM 0 HA GLN A 30 83.180 -2.456 -11.817 1.00 0.00 H new ATOM 0 HB2 GLN A 30 80.870 -2.802 -12.900 1.00 0.00 H new ATOM 0 HB3 GLN A 30 80.573 -1.087 -12.698 1.00 0.00 H new ATOM 0 HG2 GLN A 30 82.595 -0.562 -14.077 1.00 0.00 H new ATOM 0 HG3 GLN A 30 82.929 -2.273 -14.255 1.00 0.00 H new ATOM 0 HE21 GLN A 30 82.544 -0.823 -16.598 1.00 0.00 H new ATOM 0 HE22 GLN A 30 80.975 -1.221 -17.307 1.00 0.00 H new ATOM 457 N ILE A 31 84.030 -0.103 -11.987 1.00 0.00 N ATOM 458 CA ILE A 31 84.650 1.242 -11.783 1.00 0.00 C ATOM 459 C ILE A 31 85.256 1.743 -13.098 1.00 0.00 C ATOM 460 O ILE A 31 85.908 1.006 -13.814 1.00 0.00 O ATOM 461 CB ILE A 31 85.739 1.050 -10.716 1.00 0.00 C ATOM 462 CG1 ILE A 31 85.110 0.502 -9.427 1.00 0.00 C ATOM 463 CG2 ILE A 31 86.419 2.396 -10.422 1.00 0.00 C ATOM 464 CD1 ILE A 31 86.200 0.216 -8.392 1.00 0.00 C ATOM 0 H ILE A 31 84.570 -0.743 -12.570 1.00 0.00 H new ATOM 0 HA ILE A 31 83.917 1.983 -11.464 1.00 0.00 H new ATOM 0 HB ILE A 31 86.481 0.343 -11.086 1.00 0.00 H new ATOM 0 HG12 ILE A 31 84.397 1.222 -9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 31 84.554 -0.410 -9.643 1.00 0.00 H new ATOM 0 HG21 ILE A 31 87.191 2.256 -9.665 1.00 0.00 H new ATOM 0 HG22 ILE A 31 86.872 2.782 -11.335 1.00 0.00 H new ATOM 0 HG23 ILE A 31 85.677 3.106 -10.057 1.00 0.00 H new ATOM 0 HD11 ILE A 31 85.744 -0.172 -7.481 1.00 0.00 H new ATOM 0 HD12 ILE A 31 86.897 -0.521 -8.792 1.00 0.00 H new ATOM 0 HD13 ILE A 31 86.737 1.137 -8.165 1.00 0.00 H new ATOM 476 N SER A 32 85.038 2.994 -13.412 1.00 0.00 N ATOM 477 CA SER A 32 85.680 3.604 -14.612 1.00 0.00 C ATOM 478 C SER A 32 85.975 5.078 -14.340 1.00 0.00 C ATOM 479 O SER A 32 85.365 5.690 -13.485 1.00 0.00 O ATOM 480 CB SER A 32 84.657 3.456 -15.737 1.00 0.00 C ATOM 481 OG SER A 32 83.514 4.248 -15.439 1.00 0.00 O ATOM 0 H SER A 32 84.436 3.624 -12.882 1.00 0.00 H new ATOM 0 HA SER A 32 86.625 3.126 -14.869 1.00 0.00 H new ATOM 0 HB2 SER A 32 85.094 3.769 -16.685 1.00 0.00 H new ATOM 0 HB3 SER A 32 84.370 2.410 -15.848 1.00 0.00 H new ATOM 0 HG SER A 32 83.010 4.418 -16.262 1.00 0.00 H new ATOM 487 N ALA A 33 86.898 5.653 -15.068 1.00 0.00 N ATOM 488 CA ALA A 33 87.385 7.034 -14.731 1.00 0.00 C ATOM 489 C ALA A 33 86.224 8.039 -14.675 1.00 0.00 C ATOM 490 O ALA A 33 86.324 9.063 -14.025 1.00 0.00 O ATOM 491 CB ALA A 33 88.352 7.406 -15.859 1.00 0.00 C ATOM 0 H ALA A 33 87.339 5.228 -15.884 1.00 0.00 H new ATOM 0 HA ALA A 33 87.861 7.057 -13.750 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.750 8.405 -15.682 1.00 0.00 H new ATOM 0 HB2 ALA A 33 89.172 6.688 -15.887 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.823 7.390 -16.812 1.00 0.00 H new ATOM 497 N GLU A 34 85.132 7.755 -15.345 1.00 0.00 N ATOM 498 CA GLU A 34 84.021 8.753 -15.434 1.00 0.00 C ATOM 499 C GLU A 34 82.999 8.543 -14.309 1.00 0.00 C ATOM 500 O GLU A 34 82.316 9.471 -13.911 1.00 0.00 O ATOM 501 CB GLU A 34 83.377 8.514 -16.800 1.00 0.00 C ATOM 502 CG GLU A 34 84.398 8.809 -17.906 1.00 0.00 C ATOM 503 CD GLU A 34 83.751 8.646 -19.291 1.00 0.00 C ATOM 504 OE1 GLU A 34 82.719 7.997 -19.382 1.00 0.00 O ATOM 505 OE2 GLU A 34 84.303 9.176 -20.240 1.00 0.00 O ATOM 0 H GLU A 34 84.963 6.876 -15.833 1.00 0.00 H new ATOM 0 HA GLU A 34 84.387 9.774 -15.327 1.00 0.00 H new ATOM 0 HB2 GLU A 34 83.031 7.483 -16.875 1.00 0.00 H new ATOM 0 HB3 GLU A 34 82.502 9.153 -16.918 1.00 0.00 H new ATOM 0 HG2 GLU A 34 84.782 9.823 -17.794 1.00 0.00 H new ATOM 0 HG3 GLU A 34 85.249 8.134 -17.813 1.00 0.00 H new ATOM 512 N GLU A 35 82.887 7.340 -13.794 1.00 0.00 N ATOM 513 CA GLU A 35 81.801 7.041 -12.807 1.00 0.00 C ATOM 514 C GLU A 35 82.173 5.843 -11.924 1.00 0.00 C ATOM 515 O GLU A 35 82.970 5.005 -12.300 1.00 0.00 O ATOM 516 CB GLU A 35 80.559 6.736 -13.655 1.00 0.00 C ATOM 517 CG GLU A 35 80.830 5.538 -14.573 1.00 0.00 C ATOM 518 CD GLU A 35 79.632 5.326 -15.502 1.00 0.00 C ATOM 519 OE1 GLU A 35 78.738 4.589 -15.123 1.00 0.00 O ATOM 520 OE2 GLU A 35 79.631 5.904 -16.576 1.00 0.00 O ATOM 0 H GLU A 35 83.500 6.555 -14.014 1.00 0.00 H new ATOM 0 HA GLU A 35 81.632 7.876 -12.127 1.00 0.00 H new ATOM 0 HB2 GLU A 35 79.710 6.522 -13.006 1.00 0.00 H new ATOM 0 HB3 GLU A 35 80.293 7.609 -14.252 1.00 0.00 H new ATOM 0 HG2 GLU A 35 81.732 5.712 -15.159 1.00 0.00 H new ATOM 0 HG3 GLU A 35 81.005 4.642 -13.977 1.00 0.00 H new ATOM 527 N ILE A 36 81.597 5.766 -10.750 1.00 0.00 N ATOM 528 CA ILE A 36 81.753 4.542 -9.902 1.00 0.00 C ATOM 529 C ILE A 36 80.392 3.854 -9.741 1.00 0.00 C ATOM 530 O ILE A 36 79.382 4.513 -9.566 1.00 0.00 O ATOM 531 CB ILE A 36 82.263 5.047 -8.544 1.00 0.00 C ATOM 532 CG1 ILE A 36 83.575 5.838 -8.722 1.00 0.00 C ATOM 533 CG2 ILE A 36 82.506 3.856 -7.613 1.00 0.00 C ATOM 534 CD1 ILE A 36 84.653 4.959 -9.376 1.00 0.00 C ATOM 0 H ILE A 36 81.022 6.502 -10.340 1.00 0.00 H new ATOM 0 HA ILE A 36 82.438 3.817 -10.341 1.00 0.00 H new ATOM 0 HB ILE A 36 81.511 5.706 -8.110 1.00 0.00 H new ATOM 0 HG12 ILE A 36 83.394 6.719 -9.338 1.00 0.00 H new ATOM 0 HG13 ILE A 36 83.926 6.193 -7.753 1.00 0.00 H new ATOM 0 HG21 ILE A 36 82.868 4.215 -6.650 1.00 0.00 H new ATOM 0 HG22 ILE A 36 81.574 3.310 -7.470 1.00 0.00 H new ATOM 0 HG23 ILE A 36 83.250 3.194 -8.056 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.571 5.535 -9.493 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.847 4.092 -8.745 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.307 4.626 -10.354 1.00 0.00 H new ATOM 546 N THR A 37 80.356 2.540 -9.798 1.00 0.00 N ATOM 547 CA THR A 37 79.045 1.821 -9.727 1.00 0.00 C ATOM 548 C THR A 37 79.073 0.769 -8.611 1.00 0.00 C ATOM 549 O THR A 37 79.986 -0.032 -8.530 1.00 0.00 O ATOM 550 CB THR A 37 78.895 1.145 -11.094 1.00 0.00 C ATOM 551 OG1 THR A 37 78.952 2.133 -12.114 1.00 0.00 O ATOM 552 CG2 THR A 37 77.553 0.408 -11.168 1.00 0.00 C ATOM 0 H THR A 37 81.175 1.939 -9.890 1.00 0.00 H new ATOM 0 HA THR A 37 78.216 2.494 -9.506 1.00 0.00 H new ATOM 0 HB THR A 37 79.703 0.427 -11.232 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.858 1.704 -12.990 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.454 -0.070 -12.143 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.511 -0.350 -10.386 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.739 1.119 -11.028 1.00 0.00 H new ATOM 560 N ILE A 38 78.074 0.765 -7.756 1.00 0.00 N ATOM 561 CA ILE A 38 78.020 -0.245 -6.651 1.00 0.00 C ATOM 562 C ILE A 38 76.609 -0.845 -6.544 1.00 0.00 C ATOM 563 O ILE A 38 75.681 -0.378 -7.176 1.00 0.00 O ATOM 564 CB ILE A 38 78.398 0.507 -5.361 1.00 0.00 C ATOM 565 CG1 ILE A 38 77.391 1.640 -5.092 1.00 0.00 C ATOM 566 CG2 ILE A 38 79.819 1.094 -5.477 1.00 0.00 C ATOM 567 CD1 ILE A 38 77.509 2.107 -3.635 1.00 0.00 C ATOM 0 H ILE A 38 77.293 1.420 -7.778 1.00 0.00 H new ATOM 0 HA ILE A 38 78.704 -1.074 -6.833 1.00 0.00 H new ATOM 0 HB ILE A 38 78.373 -0.199 -4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 38 77.580 2.475 -5.767 1.00 0.00 H new ATOM 0 HG13 ILE A 38 76.377 1.292 -5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 38 80.071 1.622 -4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 38 80.534 0.287 -5.639 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.859 1.788 -6.316 1.00 0.00 H new ATOM 0 HD11 ILE A 38 76.794 2.909 -3.451 1.00 0.00 H new ATOM 0 HD12 ILE A 38 77.298 1.272 -2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 38 78.519 2.472 -3.451 1.00 0.00 H new ATOM 579 N VAL A 39 76.449 -1.870 -5.745 1.00 0.00 N ATOM 580 CA VAL A 39 75.132 -2.586 -5.669 1.00 0.00 C ATOM 581 C VAL A 39 74.601 -2.597 -4.230 1.00 0.00 C ATOM 582 O VAL A 39 75.330 -2.342 -3.293 1.00 0.00 O ATOM 583 CB VAL A 39 75.412 -4.011 -6.157 1.00 0.00 C ATOM 584 CG1 VAL A 39 75.898 -3.959 -7.604 1.00 0.00 C ATOM 585 CG2 VAL A 39 76.486 -4.667 -5.281 1.00 0.00 C ATOM 0 H VAL A 39 77.177 -2.246 -5.137 1.00 0.00 H new ATOM 0 HA VAL A 39 74.371 -2.095 -6.276 1.00 0.00 H new ATOM 0 HB VAL A 39 74.496 -4.599 -6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 39 76.099 -4.971 -7.957 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.131 -3.502 -8.229 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.812 -3.367 -7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 39 76.677 -5.679 -5.637 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.405 -4.084 -5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 39 76.140 -4.705 -4.248 1.00 0.00 H new ATOM 595 N ARG A 40 73.327 -2.884 -4.056 1.00 0.00 N ATOM 596 CA ARG A 40 72.687 -2.810 -2.696 1.00 0.00 C ATOM 597 C ARG A 40 72.842 -1.399 -2.127 1.00 0.00 C ATOM 598 O ARG A 40 73.536 -1.179 -1.153 1.00 0.00 O ATOM 599 CB ARG A 40 73.402 -3.843 -1.807 1.00 0.00 C ATOM 600 CG ARG A 40 73.320 -5.229 -2.453 1.00 0.00 C ATOM 601 CD ARG A 40 71.869 -5.715 -2.438 1.00 0.00 C ATOM 602 NE ARG A 40 71.925 -7.112 -2.972 1.00 0.00 N ATOM 603 CZ ARG A 40 72.038 -7.360 -4.266 1.00 0.00 C ATOM 604 NH1 ARG A 40 72.108 -6.394 -5.157 1.00 0.00 N ATOM 605 NH2 ARG A 40 72.082 -8.599 -4.672 1.00 0.00 N ATOM 0 H ARG A 40 72.697 -3.169 -4.806 1.00 0.00 H new ATOM 0 HA ARG A 40 71.620 -3.028 -2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 40 74.445 -3.557 -1.669 1.00 0.00 H new ATOM 0 HB3 ARG A 40 72.944 -3.865 -0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 40 73.690 -5.187 -3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 40 73.955 -5.931 -1.914 1.00 0.00 H new ATOM 0 HD2 ARG A 40 71.456 -5.694 -1.430 1.00 0.00 H new ATOM 0 HD3 ARG A 40 71.234 -5.081 -3.056 1.00 0.00 H new ATOM 0 HE ARG A 40 71.875 -7.895 -2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 40 72.075 -5.420 -4.857 1.00 0.00 H new ATOM 0 HH12 ARG A 40 72.195 -6.620 -6.148 1.00 0.00 H new ATOM 0 HH21 ARG A 40 72.029 -9.360 -3.995 1.00 0.00 H new ATOM 0 HH22 ARG A 40 72.169 -8.807 -5.667 1.00 0.00 H new ATOM 619 N ALA A 41 72.189 -0.447 -2.743 1.00 0.00 N ATOM 620 CA ALA A 41 72.394 0.985 -2.363 1.00 0.00 C ATOM 621 C ALA A 41 71.859 1.268 -0.955 1.00 0.00 C ATOM 622 O ALA A 41 70.711 1.006 -0.642 1.00 0.00 O ATOM 623 CB ALA A 41 71.605 1.792 -3.398 1.00 0.00 C ATOM 0 H ALA A 41 71.519 -0.600 -3.497 1.00 0.00 H new ATOM 0 HA ALA A 41 73.453 1.245 -2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 41 71.707 2.856 -3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 41 71.993 1.583 -4.395 1.00 0.00 H new ATOM 0 HB3 ALA A 41 70.552 1.512 -3.352 1.00 0.00 H new ATOM 629 N PHE A 42 72.695 1.805 -0.107 1.00 0.00 N ATOM 630 CA PHE A 42 72.213 2.355 1.192 1.00 0.00 C ATOM 631 C PHE A 42 72.421 3.871 1.198 1.00 0.00 C ATOM 632 O PHE A 42 73.459 4.351 0.793 1.00 0.00 O ATOM 633 CB PHE A 42 73.072 1.685 2.270 1.00 0.00 C ATOM 634 CG PHE A 42 72.495 0.388 2.799 1.00 0.00 C ATOM 635 CD1 PHE A 42 72.655 -0.840 2.067 1.00 0.00 C ATOM 636 CD2 PHE A 42 71.789 0.386 4.049 1.00 0.00 C ATOM 637 CE1 PHE A 42 72.107 -2.060 2.584 1.00 0.00 C ATOM 638 CE2 PHE A 42 71.244 -0.836 4.565 1.00 0.00 C ATOM 639 CZ PHE A 42 71.402 -2.058 3.833 1.00 0.00 C ATOM 0 H PHE A 42 73.700 1.886 -0.261 1.00 0.00 H new ATOM 0 HA PHE A 42 71.154 2.163 1.362 1.00 0.00 H new ATOM 0 HB2 PHE A 42 74.063 1.490 1.861 1.00 0.00 H new ATOM 0 HB3 PHE A 42 73.201 2.379 3.101 1.00 0.00 H new ATOM 0 HD1 PHE A 42 73.188 -0.843 1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 42 71.668 1.306 4.602 1.00 0.00 H new ATOM 0 HE1 PHE A 42 72.225 -2.981 2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 42 70.714 -0.835 5.506 1.00 0.00 H new ATOM 0 HZ PHE A 42 70.990 -2.977 4.222 1.00 0.00 H new ATOM 649 N ARG A 43 71.448 4.620 1.651 1.00 0.00 N ATOM 650 CA ARG A 43 71.552 6.111 1.594 1.00 0.00 C ATOM 651 C ARG A 43 71.109 6.721 2.923 1.00 0.00 C ATOM 652 O ARG A 43 70.177 6.255 3.546 1.00 0.00 O ATOM 653 CB ARG A 43 70.605 6.532 0.471 1.00 0.00 C ATOM 654 CG ARG A 43 70.748 8.033 0.216 1.00 0.00 C ATOM 655 CD ARG A 43 69.825 8.449 -0.933 1.00 0.00 C ATOM 656 NE ARG A 43 68.437 8.346 -0.378 1.00 0.00 N ATOM 657 CZ ARG A 43 67.422 9.000 -0.917 1.00 0.00 C ATOM 658 NH1 ARG A 43 67.572 9.773 -1.971 1.00 0.00 N ATOM 659 NH2 ARG A 43 66.236 8.873 -0.389 1.00 0.00 N ATOM 0 H ARG A 43 70.584 4.263 2.059 1.00 0.00 H new ATOM 0 HA ARG A 43 72.573 6.447 1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 43 70.832 5.975 -0.438 1.00 0.00 H new ATOM 0 HB3 ARG A 43 69.576 6.295 0.741 1.00 0.00 H new ATOM 0 HG2 ARG A 43 70.497 8.591 1.118 1.00 0.00 H new ATOM 0 HG3 ARG A 43 71.782 8.273 -0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 43 70.042 9.464 -1.265 1.00 0.00 H new ATOM 0 HD3 ARG A 43 69.953 7.797 -1.797 1.00 0.00 H new ATOM 0 HE ARG A 43 68.271 7.756 0.437 1.00 0.00 H new ATOM 0 HH11 ARG A 43 68.492 9.882 -2.397 1.00 0.00 H new ATOM 0 HH12 ARG A 43 66.768 10.264 -2.362 1.00 0.00 H new ATOM 0 HH21 ARG A 43 66.102 8.276 0.427 1.00 0.00 H new ATOM 0 HH22 ARG A 43 65.442 9.371 -0.792 1.00 0.00 H new ATOM 673 N ASN A 44 71.778 7.761 3.364 1.00 0.00 N ATOM 674 CA ASN A 44 71.385 8.447 4.645 1.00 0.00 C ATOM 675 C ASN A 44 71.280 7.440 5.804 1.00 0.00 C ATOM 676 O ASN A 44 70.377 7.510 6.616 1.00 0.00 O ATOM 677 CB ASN A 44 70.020 9.091 4.370 1.00 0.00 C ATOM 678 CG ASN A 44 70.139 10.077 3.204 1.00 0.00 C ATOM 679 OD1 ASN A 44 69.314 10.082 2.312 1.00 0.00 O ATOM 680 ND2 ASN A 44 71.138 10.917 3.172 1.00 0.00 N ATOM 0 H ASN A 44 72.585 8.169 2.891 1.00 0.00 H new ATOM 0 HA ASN A 44 72.130 9.185 4.941 1.00 0.00 H new ATOM 0 HB2 ASN A 44 69.285 8.321 4.134 1.00 0.00 H new ATOM 0 HB3 ASN A 44 69.665 9.608 5.261 1.00 0.00 H new ATOM 0 HD21 ASN A 44 71.225 11.576 2.399 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.831 10.914 3.920 1.00 0.00 H new ATOM 687 N GLY A 45 72.199 6.509 5.876 1.00 0.00 N ATOM 688 CA GLY A 45 72.231 5.554 7.026 1.00 0.00 C ATOM 689 C GLY A 45 70.949 4.711 7.077 1.00 0.00 C ATOM 690 O GLY A 45 70.596 4.184 8.116 1.00 0.00 O ATOM 0 H GLY A 45 72.933 6.369 5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 45 73.098 4.899 6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 45 72.345 6.106 7.959 1.00 0.00 H new ATOM 694 N VAL A 46 70.251 4.579 5.972 1.00 0.00 N ATOM 695 CA VAL A 46 69.064 3.668 5.931 1.00 0.00 C ATOM 696 C VAL A 46 69.004 2.952 4.564 1.00 0.00 C ATOM 697 O VAL A 46 69.468 3.487 3.580 1.00 0.00 O ATOM 698 CB VAL A 46 67.855 4.591 6.147 1.00 0.00 C ATOM 699 CG1 VAL A 46 66.543 3.812 5.984 1.00 0.00 C ATOM 700 CG2 VAL A 46 67.919 5.159 7.564 1.00 0.00 C ATOM 0 H VAL A 46 70.453 5.064 5.098 1.00 0.00 H new ATOM 0 HA VAL A 46 69.099 2.883 6.686 1.00 0.00 H new ATOM 0 HB VAL A 46 67.883 5.391 5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.699 4.484 6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 46 66.491 3.393 4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.506 3.005 6.716 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.066 5.817 7.731 1.00 0.00 H new ATOM 0 HG22 VAL A 46 67.894 4.342 8.285 1.00 0.00 H new ATOM 0 HG23 VAL A 46 68.843 5.724 7.688 1.00 0.00 H new ATOM 710 N PRO A 47 68.433 1.759 4.534 1.00 0.00 N ATOM 711 CA PRO A 47 68.449 0.955 3.287 1.00 0.00 C ATOM 712 C PRO A 47 67.493 1.557 2.250 1.00 0.00 C ATOM 713 O PRO A 47 66.387 1.951 2.575 1.00 0.00 O ATOM 714 CB PRO A 47 67.969 -0.437 3.722 1.00 0.00 C ATOM 715 CG PRO A 47 67.847 -0.393 5.216 1.00 0.00 C ATOM 716 CD PRO A 47 67.730 1.052 5.614 1.00 0.00 C ATOM 0 HA PRO A 47 69.434 0.926 2.821 1.00 0.00 H new ATOM 0 HB2 PRO A 47 67.012 -0.680 3.261 1.00 0.00 H new ATOM 0 HB3 PRO A 47 68.676 -1.206 3.412 1.00 0.00 H new ATOM 0 HG2 PRO A 47 66.973 -0.954 5.547 1.00 0.00 H new ATOM 0 HG3 PRO A 47 68.717 -0.852 5.686 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.689 1.365 5.689 1.00 0.00 H new ATOM 0 HD3 PRO A 47 68.190 1.240 6.584 1.00 0.00 H new ATOM 724 N LEU A 48 67.912 1.630 1.008 1.00 0.00 N ATOM 725 CA LEU A 48 66.991 2.105 -0.072 1.00 0.00 C ATOM 726 C LEU A 48 66.029 0.984 -0.475 1.00 0.00 C ATOM 727 O LEU A 48 66.379 -0.181 -0.453 1.00 0.00 O ATOM 728 CB LEU A 48 67.904 2.485 -1.242 1.00 0.00 C ATOM 729 CG LEU A 48 68.831 3.628 -0.815 1.00 0.00 C ATOM 730 CD1 LEU A 48 69.843 3.916 -1.931 1.00 0.00 C ATOM 731 CD2 LEU A 48 67.998 4.886 -0.540 1.00 0.00 C ATOM 0 H LEU A 48 68.851 1.381 0.697 1.00 0.00 H new ATOM 0 HA LEU A 48 66.378 2.947 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.493 1.622 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.305 2.789 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 48 69.366 3.341 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 48 70.501 4.729 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 48 70.436 3.022 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.312 4.202 -2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 48 68.657 5.699 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.462 5.172 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 48 67.283 4.682 0.257 1.00 0.00 H new ATOM 743 N ARG A 49 64.820 1.334 -0.844 1.00 0.00 N ATOM 744 CA ARG A 49 63.805 0.292 -1.210 1.00 0.00 C ATOM 745 C ARG A 49 64.314 -0.570 -2.370 1.00 0.00 C ATOM 746 O ARG A 49 64.030 -1.753 -2.444 1.00 0.00 O ATOM 747 CB ARG A 49 62.557 1.071 -1.634 1.00 0.00 C ATOM 748 CG ARG A 49 62.020 1.864 -0.442 1.00 0.00 C ATOM 749 CD ARG A 49 60.711 2.556 -0.833 1.00 0.00 C ATOM 750 NE ARG A 49 60.391 3.466 0.313 1.00 0.00 N ATOM 751 CZ ARG A 49 59.164 3.909 0.530 1.00 0.00 C ATOM 752 NH1 ARG A 49 58.157 3.580 -0.251 1.00 0.00 N ATOM 753 NH2 ARG A 49 58.946 4.696 1.547 1.00 0.00 N ATOM 0 H ARG A 49 64.491 2.297 -0.908 1.00 0.00 H new ATOM 0 HA ARG A 49 63.601 -0.383 -0.378 1.00 0.00 H new ATOM 0 HB2 ARG A 49 62.799 1.747 -2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 49 61.794 0.384 -2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 49 61.852 1.198 0.405 1.00 0.00 H new ATOM 0 HG3 ARG A 49 62.754 2.605 -0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 49 60.824 3.116 -1.761 1.00 0.00 H new ATOM 0 HD3 ARG A 49 59.914 1.830 -0.994 1.00 0.00 H new ATOM 0 HE ARG A 49 61.140 3.752 0.943 1.00 0.00 H new ATOM 0 HH11 ARG A 49 58.311 2.966 -1.051 1.00 0.00 H new ATOM 0 HH12 ARG A 49 57.222 3.939 -0.056 1.00 0.00 H new ATOM 0 HH21 ARG A 49 59.716 4.961 2.161 1.00 0.00 H new ATOM 0 HH22 ARG A 49 58.005 5.046 1.728 1.00 0.00 H new ATOM 767 N LYS A 50 65.064 0.015 -3.272 1.00 0.00 N ATOM 768 CA LYS A 50 65.581 -0.755 -4.445 1.00 0.00 C ATOM 769 C LYS A 50 66.962 -1.342 -4.128 1.00 0.00 C ATOM 770 O LYS A 50 67.966 -0.922 -4.675 1.00 0.00 O ATOM 771 CB LYS A 50 65.673 0.268 -5.578 1.00 0.00 C ATOM 772 CG LYS A 50 64.273 0.791 -5.909 1.00 0.00 C ATOM 773 CD LYS A 50 64.350 1.727 -7.117 1.00 0.00 C ATOM 774 CE LYS A 50 62.975 2.350 -7.369 1.00 0.00 C ATOM 775 NZ LYS A 50 62.312 1.438 -8.342 1.00 0.00 N ATOM 0 H LYS A 50 65.341 0.996 -3.246 1.00 0.00 H new ATOM 0 HA LYS A 50 64.937 -1.594 -4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 50 66.321 1.094 -5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 50 66.120 -0.190 -6.460 1.00 0.00 H new ATOM 0 HG2 LYS A 50 63.603 -0.042 -6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.859 1.321 -5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 50 65.088 2.509 -6.938 1.00 0.00 H new ATOM 0 HD3 LYS A 50 64.678 1.175 -7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 50 62.401 2.427 -6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 50 63.066 3.359 -7.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 61.362 1.799 -8.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 62.877 1.390 -9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 62.233 0.487 -7.928 1.00 0.00 H new ATOM 789 N GLN A 51 67.014 -2.312 -3.246 1.00 0.00 N ATOM 790 CA GLN A 51 68.322 -2.959 -2.906 1.00 0.00 C ATOM 791 C GLN A 51 68.932 -3.603 -4.155 1.00 0.00 C ATOM 792 O GLN A 51 70.136 -3.613 -4.332 1.00 0.00 O ATOM 793 CB GLN A 51 67.989 -4.030 -1.863 1.00 0.00 C ATOM 794 CG GLN A 51 67.465 -3.359 -0.591 1.00 0.00 C ATOM 795 CD GLN A 51 67.080 -4.427 0.436 1.00 0.00 C ATOM 796 OE1 GLN A 51 66.828 -5.564 0.087 1.00 0.00 O ATOM 797 NE2 GLN A 51 67.024 -4.108 1.700 1.00 0.00 N ATOM 0 H GLN A 51 66.206 -2.684 -2.746 1.00 0.00 H new ATOM 0 HA GLN A 51 69.047 -2.238 -2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 51 67.241 -4.718 -2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.877 -4.620 -1.636 1.00 0.00 H new ATOM 0 HG2 GLN A 51 68.227 -2.700 -0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.600 -2.738 -0.826 1.00 0.00 H new ATOM 0 HE21 GLN A 51 67.235 -3.155 1.995 1.00 0.00 H new ATOM 0 HE22 GLN A 51 66.769 -4.812 2.393 1.00 0.00 H new ATOM 806 N ASN A 52 68.105 -4.136 -5.019 1.00 0.00 N ATOM 807 CA ASN A 52 68.624 -4.793 -6.262 1.00 0.00 C ATOM 808 C ASN A 52 69.155 -3.744 -7.248 1.00 0.00 C ATOM 809 O ASN A 52 69.983 -4.044 -8.089 1.00 0.00 O ATOM 810 CB ASN A 52 67.422 -5.529 -6.862 1.00 0.00 C ATOM 811 CG ASN A 52 66.914 -6.578 -5.871 1.00 0.00 C ATOM 812 OD1 ASN A 52 65.728 -6.669 -5.621 1.00 0.00 O ATOM 813 ND2 ASN A 52 67.766 -7.380 -5.293 1.00 0.00 N ATOM 0 H ASN A 52 67.090 -4.145 -4.919 1.00 0.00 H new ATOM 0 HA ASN A 52 69.451 -5.469 -6.046 1.00 0.00 H new ATOM 0 HB2 ASN A 52 66.628 -4.820 -7.095 1.00 0.00 H new ATOM 0 HB3 ASN A 52 67.707 -6.007 -7.799 1.00 0.00 H new ATOM 0 HD21 ASN A 52 67.437 -8.083 -4.632 1.00 0.00 H new ATOM 0 HD22 ASN A 52 68.761 -7.304 -5.503 1.00 0.00 H new ATOM 820 N ALA A 53 68.688 -2.520 -7.150 1.00 0.00 N ATOM 821 CA ALA A 53 69.100 -1.471 -8.136 1.00 0.00 C ATOM 822 C ALA A 53 70.533 -1.011 -7.853 1.00 0.00 C ATOM 823 O ALA A 53 70.926 -0.847 -6.713 1.00 0.00 O ATOM 824 CB ALA A 53 68.117 -0.316 -7.935 1.00 0.00 C ATOM 0 H ALA A 53 68.039 -2.203 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 53 69.081 -1.844 -9.160 1.00 0.00 H new ATOM 0 HB1 ALA A 53 68.358 0.492 -8.626 1.00 0.00 H new ATOM 0 HB2 ALA A 53 67.102 -0.665 -8.125 1.00 0.00 H new ATOM 0 HB3 ALA A 53 68.189 0.049 -6.911 1.00 0.00 H new ATOM 830 N GLU A 54 71.307 -0.805 -8.888 1.00 0.00 N ATOM 831 CA GLU A 54 72.717 -0.342 -8.701 1.00 0.00 C ATOM 832 C GLU A 54 72.780 1.195 -8.661 1.00 0.00 C ATOM 833 O GLU A 54 71.981 1.871 -9.282 1.00 0.00 O ATOM 834 CB GLU A 54 73.499 -0.911 -9.903 1.00 0.00 C ATOM 835 CG GLU A 54 73.053 -0.257 -11.223 1.00 0.00 C ATOM 836 CD GLU A 54 73.820 -0.885 -12.388 1.00 0.00 C ATOM 837 OE1 GLU A 54 73.824 -2.103 -12.480 1.00 0.00 O ATOM 838 OE2 GLU A 54 74.391 -0.141 -13.167 1.00 0.00 O ATOM 0 H GLU A 54 71.023 -0.938 -9.859 1.00 0.00 H new ATOM 0 HA GLU A 54 73.141 -0.686 -7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 54 74.566 -0.746 -9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 54 73.348 -1.989 -9.960 1.00 0.00 H new ATOM 0 HG2 GLU A 54 71.981 -0.393 -11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 54 73.237 0.817 -11.189 1.00 0.00 H new ATOM 845 N VAL A 55 73.723 1.738 -7.933 1.00 0.00 N ATOM 846 CA VAL A 55 73.935 3.219 -7.945 1.00 0.00 C ATOM 847 C VAL A 55 75.118 3.546 -8.854 1.00 0.00 C ATOM 848 O VAL A 55 76.209 3.043 -8.655 1.00 0.00 O ATOM 849 CB VAL A 55 74.261 3.594 -6.490 1.00 0.00 C ATOM 850 CG1 VAL A 55 74.515 5.108 -6.377 1.00 0.00 C ATOM 851 CG2 VAL A 55 73.085 3.214 -5.584 1.00 0.00 C ATOM 0 H VAL A 55 74.358 1.217 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 55 73.067 3.765 -8.314 1.00 0.00 H new ATOM 0 HB VAL A 55 75.156 3.054 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.745 5.362 -5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 55 75.355 5.384 -7.014 1.00 0.00 H new ATOM 0 HG13 VAL A 55 73.625 5.651 -6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 55 73.319 3.481 -4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 55 72.191 3.750 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 55 72.907 2.141 -5.649 1.00 0.00 H new ATOM 861 N VAL A 56 74.912 4.378 -9.846 1.00 0.00 N ATOM 862 CA VAL A 56 76.056 4.820 -10.701 1.00 0.00 C ATOM 863 C VAL A 56 76.147 6.343 -10.683 1.00 0.00 C ATOM 864 O VAL A 56 75.294 7.032 -11.210 1.00 0.00 O ATOM 865 CB VAL A 56 75.766 4.315 -12.117 1.00 0.00 C ATOM 866 CG1 VAL A 56 76.975 4.630 -13.001 1.00 0.00 C ATOM 867 CG2 VAL A 56 75.533 2.799 -12.102 1.00 0.00 C ATOM 0 H VAL A 56 74.004 4.768 -10.099 1.00 0.00 H new ATOM 0 HA VAL A 56 77.005 4.425 -10.339 1.00 0.00 H new ATOM 0 HB VAL A 56 74.872 4.804 -12.503 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.786 4.277 -14.015 1.00 0.00 H new ATOM 0 HG12 VAL A 56 77.143 5.707 -13.017 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.858 4.131 -12.601 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.328 2.452 -13.115 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.423 2.298 -11.720 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.683 2.568 -11.460 1.00 0.00 H new ATOM 877 N LEU A 57 77.180 6.861 -10.080 1.00 0.00 N ATOM 878 CA LEU A 57 77.280 8.335 -9.879 1.00 0.00 C ATOM 879 C LEU A 57 78.630 8.853 -10.381 1.00 0.00 C ATOM 880 O LEU A 57 79.659 8.242 -10.158 1.00 0.00 O ATOM 881 CB LEU A 57 77.106 8.514 -8.372 1.00 0.00 C ATOM 882 CG LEU A 57 75.605 8.548 -8.057 1.00 0.00 C ATOM 883 CD1 LEU A 57 75.350 7.985 -6.662 1.00 0.00 C ATOM 884 CD2 LEU A 57 75.114 9.998 -8.100 1.00 0.00 C ATOM 0 H LEU A 57 77.966 6.323 -9.715 1.00 0.00 H new ATOM 0 HA LEU A 57 76.534 8.902 -10.436 1.00 0.00 H new ATOM 0 HB2 LEU A 57 77.587 7.697 -7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 57 77.583 9.437 -8.042 1.00 0.00 H new ATOM 0 HG LEU A 57 75.074 7.946 -8.794 1.00 0.00 H new ATOM 0 HD11 LEU A 57 74.282 8.013 -6.448 1.00 0.00 H new ATOM 0 HD12 LEU A 57 75.702 6.954 -6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 57 75.884 8.584 -5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 57 74.048 10.028 -7.877 1.00 0.00 H new ATOM 0 HD22 LEU A 57 75.656 10.588 -7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 57 75.288 10.412 -9.093 1.00 0.00 H new ATOM 896 N LYS A 58 78.626 9.974 -11.060 1.00 0.00 N ATOM 897 CA LYS A 58 79.893 10.502 -11.661 1.00 0.00 C ATOM 898 C LYS A 58 80.795 11.101 -10.580 1.00 0.00 C ATOM 899 O LYS A 58 80.330 11.714 -9.638 1.00 0.00 O ATOM 900 CB LYS A 58 79.447 11.590 -12.642 1.00 0.00 C ATOM 901 CG LYS A 58 78.619 10.959 -13.763 1.00 0.00 C ATOM 902 CD LYS A 58 78.272 12.025 -14.805 1.00 0.00 C ATOM 903 CE LYS A 58 77.345 11.423 -15.863 1.00 0.00 C ATOM 904 NZ LYS A 58 77.766 12.051 -17.146 1.00 0.00 N ATOM 0 H LYS A 58 77.799 10.548 -11.225 1.00 0.00 H new ATOM 0 HA LYS A 58 80.467 9.716 -12.151 1.00 0.00 H new ATOM 0 HB2 LYS A 58 78.858 12.345 -12.121 1.00 0.00 H new ATOM 0 HB3 LYS A 58 80.317 12.097 -13.059 1.00 0.00 H new ATOM 0 HG2 LYS A 58 79.178 10.148 -14.230 1.00 0.00 H new ATOM 0 HG3 LYS A 58 77.707 10.524 -13.355 1.00 0.00 H new ATOM 0 HD2 LYS A 58 77.788 12.875 -14.324 1.00 0.00 H new ATOM 0 HD3 LYS A 58 79.182 12.400 -15.274 1.00 0.00 H new ATOM 0 HE2 LYS A 58 77.444 10.338 -15.903 1.00 0.00 H new ATOM 0 HE3 LYS A 58 76.300 11.640 -15.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 77.175 11.687 -17.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 77.655 13.083 -17.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 78.763 11.822 -17.334 1.00 0.00 H new ATOM 918 N CYS A 59 82.089 10.925 -10.716 1.00 0.00 N ATOM 919 CA CYS A 59 83.054 11.538 -9.741 1.00 0.00 C ATOM 920 C CYS A 59 82.838 13.055 -9.633 1.00 0.00 C ATOM 921 O CYS A 59 83.045 13.646 -8.589 1.00 0.00 O ATOM 922 CB CYS A 59 84.455 11.228 -10.299 1.00 0.00 C ATOM 923 SG CYS A 59 84.645 11.914 -11.969 1.00 0.00 S ATOM 0 H CYS A 59 82.522 10.381 -11.463 1.00 0.00 H new ATOM 0 HA CYS A 59 82.918 11.135 -8.737 1.00 0.00 H new ATOM 0 HB2 CYS A 59 85.216 11.646 -9.640 1.00 0.00 H new ATOM 0 HB3 CYS A 59 84.612 10.150 -10.323 1.00 0.00 H new ATOM 0 HG CYS A 59 85.835 11.642 -12.417 1.00 0.00 H new ATOM 929 N THR A 60 82.423 13.681 -10.708 1.00 0.00 N ATOM 930 CA THR A 60 82.232 15.168 -10.695 1.00 0.00 C ATOM 931 C THR A 60 81.127 15.551 -9.706 1.00 0.00 C ATOM 932 O THR A 60 81.118 16.644 -9.170 1.00 0.00 O ATOM 933 CB THR A 60 81.826 15.545 -12.124 1.00 0.00 C ATOM 934 OG1 THR A 60 80.614 14.882 -12.459 1.00 0.00 O ATOM 935 CG2 THR A 60 82.926 15.130 -13.102 1.00 0.00 C ATOM 0 H THR A 60 82.208 13.227 -11.596 1.00 0.00 H new ATOM 0 HA THR A 60 83.137 15.690 -10.384 1.00 0.00 H new ATOM 0 HB THR A 60 81.682 16.624 -12.187 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.351 15.123 -13.372 1.00 0.00 H new ATOM 0 HG21 THR A 60 82.632 15.400 -14.116 1.00 0.00 H new ATOM 0 HG22 THR A 60 83.854 15.641 -12.845 1.00 0.00 H new ATOM 0 HG23 THR A 60 83.077 14.052 -13.043 1.00 0.00 H new ATOM 943 N ASP A 61 80.198 14.658 -9.463 1.00 0.00 N ATOM 944 CA ASP A 61 79.125 14.933 -8.461 1.00 0.00 C ATOM 945 C ASP A 61 79.576 14.483 -7.065 1.00 0.00 C ATOM 946 O ASP A 61 79.104 14.986 -6.062 1.00 0.00 O ATOM 947 CB ASP A 61 77.918 14.118 -8.930 1.00 0.00 C ATOM 948 CG ASP A 61 77.454 14.616 -10.303 1.00 0.00 C ATOM 949 OD1 ASP A 61 77.632 15.792 -10.582 1.00 0.00 O ATOM 950 OD2 ASP A 61 76.927 13.811 -11.053 1.00 0.00 O ATOM 0 H ASP A 61 80.138 13.747 -9.918 1.00 0.00 H new ATOM 0 HA ASP A 61 78.890 15.995 -8.390 1.00 0.00 H new ATOM 0 HB2 ASP A 61 78.181 13.062 -8.987 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.106 14.206 -8.208 1.00 0.00 H new ATOM 955 N ILE A 62 80.486 13.540 -6.999 1.00 0.00 N ATOM 956 CA ILE A 62 81.021 13.090 -5.676 1.00 0.00 C ATOM 957 C ILE A 62 82.107 14.059 -5.197 1.00 0.00 C ATOM 958 O ILE A 62 82.844 14.617 -5.989 1.00 0.00 O ATOM 959 CB ILE A 62 81.612 11.696 -5.933 1.00 0.00 C ATOM 960 CG1 ILE A 62 80.512 10.757 -6.446 1.00 0.00 C ATOM 961 CG2 ILE A 62 82.188 11.132 -4.631 1.00 0.00 C ATOM 962 CD1 ILE A 62 81.136 9.461 -6.972 1.00 0.00 C ATOM 0 H ILE A 62 80.882 13.062 -7.808 1.00 0.00 H new ATOM 0 HA ILE A 62 80.252 13.063 -4.904 1.00 0.00 H new ATOM 0 HB ILE A 62 82.403 11.775 -6.678 1.00 0.00 H new ATOM 0 HG12 ILE A 62 79.810 10.533 -5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 62 79.945 11.246 -7.238 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.607 10.143 -4.817 1.00 0.00 H new ATOM 0 HG22 ILE A 62 82.972 11.794 -4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 62 81.396 11.057 -3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 62 80.349 8.799 -7.334 1.00 0.00 H new ATOM 0 HD12 ILE A 62 81.821 9.692 -7.788 1.00 0.00 H new ATOM 0 HD13 ILE A 62 81.683 8.968 -6.168 1.00 0.00 H new ATOM 974 N ARG A 63 82.208 14.258 -3.904 1.00 0.00 N ATOM 975 CA ARG A 63 83.255 15.170 -3.356 1.00 0.00 C ATOM 976 C ARG A 63 84.432 14.357 -2.813 1.00 0.00 C ATOM 977 O ARG A 63 85.570 14.790 -2.878 1.00 0.00 O ATOM 978 CB ARG A 63 82.564 15.942 -2.231 1.00 0.00 C ATOM 979 CG ARG A 63 83.519 17.000 -1.676 1.00 0.00 C ATOM 980 CD ARG A 63 83.674 18.134 -2.692 1.00 0.00 C ATOM 981 NE ARG A 63 84.672 19.072 -2.084 1.00 0.00 N ATOM 982 CZ ARG A 63 85.357 19.932 -2.819 1.00 0.00 C ATOM 983 NH1 ARG A 63 85.202 20.013 -4.122 1.00 0.00 N ATOM 984 NH2 ARG A 63 86.214 20.723 -2.233 1.00 0.00 N ATOM 0 H ARG A 63 81.606 13.825 -3.204 1.00 0.00 H new ATOM 0 HA ARG A 63 83.658 15.840 -4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 63 81.657 16.416 -2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 63 82.262 15.258 -1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 63 83.136 17.392 -0.734 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.490 16.553 -1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 63 84.023 17.757 -3.653 1.00 0.00 H new ATOM 0 HD3 ARG A 63 82.722 18.634 -2.872 1.00 0.00 H new ATOM 0 HE ARG A 63 84.827 19.047 -1.076 1.00 0.00 H new ATOM 0 HH11 ARG A 63 84.537 19.401 -4.596 1.00 0.00 H new ATOM 0 HH12 ARG A 63 85.746 20.688 -4.659 1.00 0.00 H new ATOM 0 HH21 ARG A 63 86.347 20.672 -1.223 1.00 0.00 H new ATOM 0 HH22 ARG A 63 86.751 21.392 -2.785 1.00 0.00 H new ATOM 998 N SER A 64 84.171 13.184 -2.277 1.00 0.00 N ATOM 999 CA SER A 64 85.291 12.318 -1.785 1.00 0.00 C ATOM 1000 C SER A 64 84.820 10.873 -1.582 1.00 0.00 C ATOM 1001 O SER A 64 83.802 10.624 -0.964 1.00 0.00 O ATOM 1002 CB SER A 64 85.710 12.936 -0.452 1.00 0.00 C ATOM 1003 OG SER A 64 86.854 12.252 0.044 1.00 0.00 O ATOM 0 H SER A 64 83.236 12.793 -2.160 1.00 0.00 H new ATOM 0 HA SER A 64 86.114 12.276 -2.499 1.00 0.00 H new ATOM 0 HB2 SER A 64 85.934 13.995 -0.583 1.00 0.00 H new ATOM 0 HB3 SER A 64 84.893 12.869 0.266 1.00 0.00 H new ATOM 0 HG SER A 64 87.127 12.647 0.898 1.00 0.00 H new ATOM 1009 N ILE A 65 85.559 9.923 -2.105 1.00 0.00 N ATOM 1010 CA ILE A 65 85.241 8.483 -1.848 1.00 0.00 C ATOM 1011 C ILE A 65 86.175 7.919 -0.770 1.00 0.00 C ATOM 1012 O ILE A 65 87.326 8.305 -0.676 1.00 0.00 O ATOM 1013 CB ILE A 65 85.492 7.761 -3.182 1.00 0.00 C ATOM 1014 CG1 ILE A 65 84.635 8.393 -4.291 1.00 0.00 C ATOM 1015 CG2 ILE A 65 85.123 6.277 -3.036 1.00 0.00 C ATOM 1016 CD1 ILE A 65 84.993 7.761 -5.637 1.00 0.00 C ATOM 0 H ILE A 65 86.371 10.084 -2.701 1.00 0.00 H new ATOM 0 HA ILE A 65 84.217 8.353 -1.498 1.00 0.00 H new ATOM 0 HB ILE A 65 86.545 7.855 -3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 65 83.577 8.243 -4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 65 84.804 9.469 -4.327 1.00 0.00 H new ATOM 0 HG21 ILE A 65 85.300 5.763 -3.981 1.00 0.00 H new ATOM 0 HG22 ILE A 65 85.736 5.825 -2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 65 84.070 6.189 -2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 65 84.385 8.209 -6.423 1.00 0.00 H new ATOM 0 HD12 ILE A 65 86.048 7.934 -5.851 1.00 0.00 H new ATOM 0 HD13 ILE A 65 84.802 6.689 -5.598 1.00 0.00 H new ATOM 1028 N ASP A 66 85.686 7.012 0.041 1.00 0.00 N ATOM 1029 CA ASP A 66 86.557 6.369 1.073 1.00 0.00 C ATOM 1030 C ASP A 66 86.369 4.845 1.062 1.00 0.00 C ATOM 1031 O ASP A 66 85.258 4.357 1.126 1.00 0.00 O ATOM 1032 CB ASP A 66 86.094 6.968 2.407 1.00 0.00 C ATOM 1033 CG ASP A 66 84.616 6.641 2.655 1.00 0.00 C ATOM 1034 OD1 ASP A 66 83.778 7.426 2.241 1.00 0.00 O ATOM 1035 OD2 ASP A 66 84.351 5.613 3.254 1.00 0.00 O ATOM 0 H ASP A 66 84.719 6.689 0.032 1.00 0.00 H new ATOM 0 HA ASP A 66 87.616 6.550 0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 66 86.702 6.573 3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 66 86.237 8.048 2.397 1.00 0.00 H new ATOM 1040 N LEU A 67 87.445 4.099 0.978 1.00 0.00 N ATOM 1041 CA LEU A 67 87.337 2.607 1.071 1.00 0.00 C ATOM 1042 C LEU A 67 87.142 2.187 2.531 1.00 0.00 C ATOM 1043 O LEU A 67 88.022 2.357 3.354 1.00 0.00 O ATOM 1044 CB LEU A 67 88.673 2.077 0.538 1.00 0.00 C ATOM 1045 CG LEU A 67 88.608 1.939 -0.990 1.00 0.00 C ATOM 1046 CD1 LEU A 67 89.933 2.396 -1.605 1.00 0.00 C ATOM 1047 CD2 LEU A 67 88.361 0.473 -1.367 1.00 0.00 C ATOM 0 H LEU A 67 88.391 4.457 0.849 1.00 0.00 H new ATOM 0 HA LEU A 67 86.490 2.217 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 67 89.480 2.754 0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 67 88.897 1.111 0.990 1.00 0.00 H new ATOM 0 HG LEU A 67 87.794 2.557 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 67 89.884 2.297 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 67 90.115 3.438 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 67 90.745 1.778 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 67 88.315 0.379 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 67 89.174 -0.143 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 67 87.418 0.140 -0.934 1.00 0.00 H new ATOM 1059 N ILE A 68 85.995 1.638 2.853 1.00 0.00 N ATOM 1060 CA ILE A 68 85.727 1.208 4.262 1.00 0.00 C ATOM 1061 C ILE A 68 86.422 -0.128 4.545 1.00 0.00 C ATOM 1062 O ILE A 68 87.090 -0.288 5.551 1.00 0.00 O ATOM 1063 CB ILE A 68 84.202 1.058 4.359 1.00 0.00 C ATOM 1064 CG1 ILE A 68 83.530 2.396 4.026 1.00 0.00 C ATOM 1065 CG2 ILE A 68 83.810 0.644 5.781 1.00 0.00 C ATOM 1066 CD1 ILE A 68 82.014 2.205 3.956 1.00 0.00 C ATOM 0 H ILE A 68 85.231 1.469 2.199 1.00 0.00 H new ATOM 0 HA ILE A 68 86.106 1.925 4.990 1.00 0.00 H new ATOM 0 HB ILE A 68 83.876 0.295 3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 68 83.779 3.138 4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 68 83.903 2.775 3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 68 82.727 0.539 5.844 1.00 0.00 H new ATOM 0 HG22 ILE A 68 84.282 -0.308 6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 68 84.142 1.406 6.486 1.00 0.00 H new ATOM 0 HD11 ILE A 68 81.538 3.157 3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 68 81.774 1.477 3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 68 81.648 1.845 4.918 1.00 0.00 H new ATOM 1078 N GLU A 69 86.266 -1.082 3.662 1.00 0.00 N ATOM 1079 CA GLU A 69 86.850 -2.438 3.893 1.00 0.00 C ATOM 1080 C GLU A 69 87.495 -2.967 2.598 1.00 0.00 C ATOM 1081 O GLU A 69 86.787 -3.325 1.677 1.00 0.00 O ATOM 1082 CB GLU A 69 85.663 -3.315 4.294 1.00 0.00 C ATOM 1083 CG GLU A 69 85.239 -2.979 5.726 1.00 0.00 C ATOM 1084 CD GLU A 69 83.811 -3.473 5.965 1.00 0.00 C ATOM 1085 OE1 GLU A 69 83.500 -4.564 5.515 1.00 0.00 O ATOM 1086 OE2 GLU A 69 83.053 -2.754 6.594 1.00 0.00 O ATOM 0 H GLU A 69 85.756 -0.979 2.785 1.00 0.00 H new ATOM 0 HA GLU A 69 87.629 -2.428 4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 69 84.830 -3.153 3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 69 85.935 -4.368 4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 69 85.920 -3.446 6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 69 85.295 -1.903 5.890 1.00 0.00 H new