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= -0.791 USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.79,f=-2!) USER MOD Single : A 11 CYS SG : rot -164:sc= -7.36! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.147 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=-0.047) USER MOD Single : A 32 SER OG : rot 160:sc= -0.833 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0546 USER MOD Single : A 44 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.7) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 52 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.32) USER MOD Single : A 58 LYS NZ :NH3+ -135:sc= 0.0455 (180deg=-0.0609) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.534 USER MOD Single : A 60 THR OG1 : rot 140:sc= -0.904 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 90.634 -3.809 -9.949 1.00 0.00 N ATOM 102 CA ASP A 7 91.006 -4.608 -8.738 1.00 0.00 C ATOM 103 C ASP A 7 90.089 -4.245 -7.564 1.00 0.00 C ATOM 104 O ASP A 7 89.880 -5.041 -6.667 1.00 0.00 O ATOM 105 CB ASP A 7 92.459 -4.232 -8.425 1.00 0.00 C ATOM 106 CG ASP A 7 93.372 -4.669 -9.577 1.00 0.00 C ATOM 107 OD1 ASP A 7 93.041 -5.639 -10.242 1.00 0.00 O ATOM 108 OD2 ASP A 7 94.388 -4.022 -9.776 1.00 0.00 O ATOM 0 HA ASP A 7 90.899 -5.679 -8.908 1.00 0.00 H new ATOM 0 HB2 ASP A 7 92.540 -3.156 -8.273 1.00 0.00 H new ATOM 0 HB3 ASP A 7 92.775 -4.709 -7.498 1.00 0.00 H new ATOM 113 N TRP A 8 89.542 -3.050 -7.563 1.00 0.00 N ATOM 114 CA TRP A 8 88.670 -2.617 -6.428 1.00 0.00 C ATOM 115 C TRP A 8 87.279 -3.256 -6.512 1.00 0.00 C ATOM 116 O TRP A 8 86.534 -3.225 -5.555 1.00 0.00 O ATOM 117 CB TRP A 8 88.562 -1.097 -6.533 1.00 0.00 C ATOM 118 CG TRP A 8 89.626 -0.371 -5.775 1.00 0.00 C ATOM 119 CD1 TRP A 8 90.301 0.711 -6.234 1.00 0.00 C ATOM 120 CD2 TRP A 8 90.150 -0.649 -4.442 1.00 0.00 C ATOM 121 NE1 TRP A 8 91.212 1.123 -5.274 1.00 0.00 N ATOM 122 CE2 TRP A 8 91.173 0.327 -4.151 1.00 0.00 C ATOM 123 CE3 TRP A 8 89.853 -1.648 -3.441 1.00 0.00 C ATOM 124 CZ2 TRP A 8 91.885 0.317 -2.913 1.00 0.00 C ATOM 125 CZ3 TRP A 8 90.567 -1.663 -2.194 1.00 0.00 C ATOM 126 CH2 TRP A 8 91.582 -0.682 -1.932 1.00 0.00 C ATOM 0 H TRP A 8 89.664 -2.357 -8.302 1.00 0.00 H new ATOM 0 HA TRP A 8 89.097 -2.929 -5.475 1.00 0.00 H new ATOM 0 HB2 TRP A 8 88.614 -0.808 -7.583 1.00 0.00 H new ATOM 0 HB3 TRP A 8 87.586 -0.783 -6.164 1.00 0.00 H new ATOM 0 HD1 TRP A 8 90.152 1.179 -7.196 1.00 0.00 H new ATOM 0 HE1 TRP A 8 91.837 1.921 -5.386 1.00 0.00 H new ATOM 0 HE3 TRP A 8 89.090 -2.388 -3.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 92.647 1.057 -2.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 90.340 -2.414 -1.452 1.00 0.00 H new ATOM 0 HH2 TRP A 8 92.118 -0.697 -0.994 1.00 0.00 H new ATOM 137 N ILE A 9 86.913 -3.841 -7.633 1.00 0.00 N ATOM 138 CA ILE A 9 85.493 -4.305 -7.811 1.00 0.00 C ATOM 139 C ILE A 9 85.097 -5.264 -6.673 1.00 0.00 C ATOM 140 O ILE A 9 85.830 -6.171 -6.326 1.00 0.00 O ATOM 141 CB ILE A 9 85.453 -5.021 -9.176 1.00 0.00 C ATOM 142 CG1 ILE A 9 85.844 -4.049 -10.309 1.00 0.00 C ATOM 143 CG2 ILE A 9 84.040 -5.555 -9.444 1.00 0.00 C ATOM 144 CD1 ILE A 9 84.911 -2.831 -10.319 1.00 0.00 C ATOM 0 H ILE A 9 87.530 -4.016 -8.426 1.00 0.00 H new ATOM 0 HA ILE A 9 84.788 -3.474 -7.781 1.00 0.00 H new ATOM 0 HB ILE A 9 86.164 -5.847 -9.150 1.00 0.00 H new ATOM 0 HG12 ILE A 9 86.876 -3.723 -10.176 1.00 0.00 H new ATOM 0 HG13 ILE A 9 85.793 -4.562 -11.270 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.019 -6.060 -10.410 1.00 0.00 H new ATOM 0 HG22 ILE A 9 83.763 -6.260 -8.660 1.00 0.00 H new ATOM 0 HG23 ILE A 9 83.333 -4.725 -9.453 1.00 0.00 H new ATOM 0 HD11 ILE A 9 85.202 -2.157 -11.124 1.00 0.00 H new ATOM 0 HD12 ILE A 9 83.884 -3.161 -10.475 1.00 0.00 H new ATOM 0 HD13 ILE A 9 84.984 -2.309 -9.365 1.00 0.00 H new ATOM 156 N GLY A 10 83.939 -5.053 -6.101 1.00 0.00 N ATOM 157 CA GLY A 10 83.485 -5.900 -4.958 1.00 0.00 C ATOM 158 C GLY A 10 84.038 -5.395 -3.612 1.00 0.00 C ATOM 159 O GLY A 10 83.745 -5.975 -2.582 1.00 0.00 O ATOM 0 H GLY A 10 83.283 -4.323 -6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 10 82.396 -5.908 -4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 10 83.806 -6.929 -5.119 1.00 0.00 H new ATOM 163 N CYS A 11 84.826 -4.332 -3.597 1.00 0.00 N ATOM 164 CA CYS A 11 85.338 -3.807 -2.283 1.00 0.00 C ATOM 165 C CYS A 11 84.295 -2.881 -1.630 1.00 0.00 C ATOM 166 O CYS A 11 83.465 -2.301 -2.306 1.00 0.00 O ATOM 167 CB CYS A 11 86.684 -3.094 -2.591 1.00 0.00 C ATOM 168 SG CYS A 11 86.465 -1.423 -3.289 1.00 0.00 S ATOM 0 H CYS A 11 85.130 -3.816 -4.423 1.00 0.00 H new ATOM 0 HA CYS A 11 85.507 -4.603 -1.558 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.270 -3.024 -1.674 1.00 0.00 H new ATOM 0 HB3 CYS A 11 87.258 -3.701 -3.291 1.00 0.00 H new ATOM 0 HG CYS A 11 87.580 -1.028 -3.828 1.00 0.00 H new ATOM 174 N ALA A 12 84.340 -2.744 -0.328 1.00 0.00 N ATOM 175 CA ALA A 12 83.314 -1.922 0.387 1.00 0.00 C ATOM 176 C ALA A 12 83.787 -0.471 0.505 1.00 0.00 C ATOM 177 O ALA A 12 84.814 -0.201 1.101 1.00 0.00 O ATOM 178 CB ALA A 12 83.201 -2.558 1.772 1.00 0.00 C ATOM 0 H ALA A 12 85.046 -3.168 0.273 1.00 0.00 H new ATOM 0 HA ALA A 12 82.359 -1.904 -0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 12 82.466 -2.013 2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 12 82.887 -3.597 1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 12 84.169 -2.518 2.271 1.00 0.00 H new ATOM 184 N VAL A 13 83.047 0.459 -0.052 1.00 0.00 N ATOM 185 CA VAL A 13 83.471 1.894 0.002 1.00 0.00 C ATOM 186 C VAL A 13 82.285 2.794 0.364 1.00 0.00 C ATOM 187 O VAL A 13 81.137 2.422 0.194 1.00 0.00 O ATOM 188 CB VAL A 13 83.993 2.219 -1.404 1.00 0.00 C ATOM 189 CG1 VAL A 13 85.186 1.319 -1.723 1.00 0.00 C ATOM 190 CG2 VAL A 13 82.890 1.981 -2.445 1.00 0.00 C ATOM 0 H VAL A 13 82.169 0.286 -0.541 1.00 0.00 H new ATOM 0 HA VAL A 13 84.233 2.063 0.763 1.00 0.00 H new ATOM 0 HB VAL A 13 84.297 3.265 -1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.558 1.548 -2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.977 1.491 -0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.875 0.275 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.271 2.215 -3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.578 0.937 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.037 2.622 -2.224 1.00 0.00 H new ATOM 200 N SER A 14 82.563 3.977 0.861 1.00 0.00 N ATOM 201 CA SER A 14 81.472 4.951 1.153 1.00 0.00 C ATOM 202 C SER A 14 81.702 6.229 0.351 1.00 0.00 C ATOM 203 O SER A 14 82.822 6.686 0.215 1.00 0.00 O ATOM 204 CB SER A 14 81.570 5.226 2.653 1.00 0.00 C ATOM 205 OG SER A 14 80.730 6.323 2.986 1.00 0.00 O ATOM 0 H SER A 14 83.504 4.307 1.076 1.00 0.00 H new ATOM 0 HA SER A 14 80.487 4.572 0.882 1.00 0.00 H new ATOM 0 HB2 SER A 14 81.273 4.342 3.217 1.00 0.00 H new ATOM 0 HB3 SER A 14 82.602 5.447 2.927 1.00 0.00 H new ATOM 0 HG SER A 14 80.790 6.500 3.948 1.00 0.00 H new ATOM 211 N ILE A 15 80.652 6.806 -0.178 1.00 0.00 N ATOM 212 CA ILE A 15 80.816 7.977 -1.090 1.00 0.00 C ATOM 213 C ILE A 15 80.047 9.177 -0.539 1.00 0.00 C ATOM 214 O ILE A 15 78.851 9.103 -0.314 1.00 0.00 O ATOM 215 CB ILE A 15 80.224 7.555 -2.450 1.00 0.00 C ATOM 216 CG1 ILE A 15 80.752 6.172 -2.903 1.00 0.00 C ATOM 217 CG2 ILE A 15 80.603 8.599 -3.505 1.00 0.00 C ATOM 218 CD1 ILE A 15 82.284 6.140 -2.892 1.00 0.00 C ATOM 0 H ILE A 15 79.688 6.516 -0.017 1.00 0.00 H new ATOM 0 HA ILE A 15 81.864 8.263 -1.184 1.00 0.00 H new ATOM 0 HB ILE A 15 79.142 7.486 -2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.364 5.396 -2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.387 5.950 -3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.188 8.308 -4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.202 9.571 -3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.689 8.662 -3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 15 82.630 5.158 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 15 82.669 6.901 -3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 15 82.645 6.339 -1.883 1.00 0.00 H new ATOM 230 N ALA A 16 80.725 10.275 -0.326 1.00 0.00 N ATOM 231 CA ALA A 16 80.032 11.516 0.123 1.00 0.00 C ATOM 232 C ALA A 16 79.808 12.438 -1.075 1.00 0.00 C ATOM 233 O ALA A 16 80.742 12.997 -1.619 1.00 0.00 O ATOM 234 CB ALA A 16 80.985 12.162 1.130 1.00 0.00 C ATOM 0 H ALA A 16 81.734 10.364 -0.445 1.00 0.00 H new ATOM 0 HA ALA A 16 79.056 11.316 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.544 13.085 1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.157 11.476 1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 16 81.933 12.386 0.641 1.00 0.00 H new ATOM 240 N CYS A 17 78.577 12.590 -1.489 1.00 0.00 N ATOM 241 CA CYS A 17 78.258 13.512 -2.619 1.00 0.00 C ATOM 242 C CYS A 17 77.853 14.876 -2.060 1.00 0.00 C ATOM 243 O CYS A 17 77.593 15.011 -0.878 1.00 0.00 O ATOM 244 CB CYS A 17 77.084 12.873 -3.373 1.00 0.00 C ATOM 245 SG CYS A 17 77.515 11.197 -3.924 1.00 0.00 S ATOM 0 H CYS A 17 77.771 12.110 -1.088 1.00 0.00 H new ATOM 0 HA CYS A 17 79.112 13.660 -3.280 1.00 0.00 H new ATOM 0 HB2 CYS A 17 76.207 12.835 -2.727 1.00 0.00 H new ATOM 0 HB3 CYS A 17 76.819 13.488 -4.233 1.00 0.00 H new ATOM 0 HG CYS A 17 76.506 10.676 -4.557 1.00 0.00 H new ATOM 251 N ASP A 18 77.794 15.885 -2.894 1.00 0.00 N ATOM 252 CA ASP A 18 77.470 17.261 -2.395 1.00 0.00 C ATOM 253 C ASP A 18 76.084 17.267 -1.732 1.00 0.00 C ATOM 254 O ASP A 18 75.375 16.278 -1.745 1.00 0.00 O ATOM 255 CB ASP A 18 77.500 18.175 -3.625 1.00 0.00 C ATOM 256 CG ASP A 18 76.492 17.684 -4.669 1.00 0.00 C ATOM 257 OD1 ASP A 18 75.319 17.607 -4.343 1.00 0.00 O ATOM 258 OD2 ASP A 18 76.912 17.393 -5.778 1.00 0.00 O ATOM 0 H ASP A 18 77.956 15.817 -3.899 1.00 0.00 H new ATOM 0 HA ASP A 18 78.182 17.600 -1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 18 77.264 19.198 -3.333 1.00 0.00 H new ATOM 0 HB3 ASP A 18 78.502 18.189 -4.054 1.00 0.00 H new ATOM 263 N GLU A 19 75.698 18.377 -1.156 1.00 0.00 N ATOM 264 CA GLU A 19 74.521 18.385 -0.225 1.00 0.00 C ATOM 265 C GLU A 19 73.263 17.819 -0.898 1.00 0.00 C ATOM 266 O GLU A 19 72.471 17.144 -0.265 1.00 0.00 O ATOM 267 CB GLU A 19 74.303 19.856 0.140 1.00 0.00 C ATOM 268 CG GLU A 19 75.511 20.371 0.932 1.00 0.00 C ATOM 269 CD GLU A 19 75.284 21.826 1.369 1.00 0.00 C ATOM 270 OE1 GLU A 19 74.443 22.491 0.780 1.00 0.00 O ATOM 271 OE2 GLU A 19 75.959 22.254 2.291 1.00 0.00 O ATOM 0 H GLU A 19 76.147 19.283 -1.289 1.00 0.00 H new ATOM 0 HA GLU A 19 74.710 17.761 0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 19 74.167 20.450 -0.764 1.00 0.00 H new ATOM 0 HB3 GLU A 19 73.394 19.964 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 19 75.674 19.743 1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.410 20.305 0.320 1.00 0.00 H new ATOM 278 N VAL A 20 73.074 18.085 -2.168 1.00 0.00 N ATOM 279 CA VAL A 20 71.808 17.656 -2.846 1.00 0.00 C ATOM 280 C VAL A 20 71.833 16.143 -3.118 1.00 0.00 C ATOM 281 O VAL A 20 70.798 15.511 -3.222 1.00 0.00 O ATOM 282 CB VAL A 20 71.766 18.451 -4.160 1.00 0.00 C ATOM 283 CG1 VAL A 20 70.511 18.079 -4.958 1.00 0.00 C ATOM 284 CG2 VAL A 20 71.738 19.951 -3.851 1.00 0.00 C ATOM 0 H VAL A 20 73.739 18.579 -2.764 1.00 0.00 H new ATOM 0 HA VAL A 20 70.927 17.847 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 20 72.652 18.211 -4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 20 70.489 18.647 -5.888 1.00 0.00 H new ATOM 0 HG12 VAL A 20 70.527 17.013 -5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 20 69.623 18.312 -4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 20 71.708 20.514 -4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 20 70.853 20.184 -3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 20 72.632 20.224 -3.291 1.00 0.00 H new ATOM 294 N LEU A 21 73.004 15.564 -3.232 1.00 0.00 N ATOM 295 CA LEU A 21 73.106 14.099 -3.509 1.00 0.00 C ATOM 296 C LEU A 21 73.168 13.282 -2.208 1.00 0.00 C ATOM 297 O LEU A 21 72.958 12.082 -2.220 1.00 0.00 O ATOM 298 CB LEU A 21 74.407 13.960 -4.295 1.00 0.00 C ATOM 299 CG LEU A 21 74.255 14.626 -5.665 1.00 0.00 C ATOM 300 CD1 LEU A 21 75.599 14.601 -6.395 1.00 0.00 C ATOM 301 CD2 LEU A 21 73.215 13.866 -6.492 1.00 0.00 C ATOM 0 H LEU A 21 73.898 16.047 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 21 72.239 13.723 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 21 75.227 14.421 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 21 74.658 12.907 -4.418 1.00 0.00 H new ATOM 0 HG LEU A 21 73.930 15.658 -5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 21 75.492 15.075 -7.371 1.00 0.00 H new ATOM 0 HD12 LEU A 21 76.342 15.142 -5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 21 75.922 13.568 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 21 73.108 14.341 -7.467 1.00 0.00 H new ATOM 0 HD22 LEU A 21 73.539 12.834 -6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.256 13.881 -5.974 1.00 0.00 H new ATOM 313 N GLY A 22 73.454 13.915 -1.091 1.00 0.00 N ATOM 314 CA GLY A 22 73.536 13.170 0.204 1.00 0.00 C ATOM 315 C GLY A 22 74.689 12.163 0.161 1.00 0.00 C ATOM 316 O GLY A 22 75.668 12.352 -0.540 1.00 0.00 O ATOM 0 H GLY A 22 73.634 14.917 -1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 22 73.685 13.870 1.026 1.00 0.00 H new ATOM 0 HA3 GLY A 22 72.597 12.651 0.394 1.00 0.00 H new ATOM 320 N VAL A 23 74.580 11.092 0.910 1.00 0.00 N ATOM 321 CA VAL A 23 75.702 10.101 0.988 1.00 0.00 C ATOM 322 C VAL A 23 75.164 8.685 0.794 1.00 0.00 C ATOM 323 O VAL A 23 74.092 8.356 1.270 1.00 0.00 O ATOM 324 CB VAL A 23 76.290 10.243 2.400 1.00 0.00 C ATOM 325 CG1 VAL A 23 77.515 9.330 2.538 1.00 0.00 C ATOM 326 CG2 VAL A 23 76.710 11.696 2.654 1.00 0.00 C ATOM 0 H VAL A 23 73.761 10.860 1.472 1.00 0.00 H new ATOM 0 HA VAL A 23 76.450 10.282 0.217 1.00 0.00 H new ATOM 0 HB VAL A 23 75.532 9.957 3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 23 77.933 9.430 3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 23 77.218 8.295 2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 23 78.266 9.615 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 23 77.125 11.785 3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 23 77.463 11.990 1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 23 75.841 12.347 2.562 1.00 0.00 H new ATOM 336 N PHE A 24 75.901 7.845 0.104 1.00 0.00 N ATOM 337 CA PHE A 24 75.508 6.407 0.016 1.00 0.00 C ATOM 338 C PHE A 24 76.717 5.506 0.289 1.00 0.00 C ATOM 339 O PHE A 24 77.851 5.921 0.164 1.00 0.00 O ATOM 340 CB PHE A 24 74.979 6.185 -1.410 1.00 0.00 C ATOM 341 CG PHE A 24 76.029 6.301 -2.496 1.00 0.00 C ATOM 342 CD1 PHE A 24 76.778 5.140 -2.878 1.00 0.00 C ATOM 343 CD2 PHE A 24 76.294 7.564 -3.127 1.00 0.00 C ATOM 344 CE1 PHE A 24 77.785 5.237 -3.894 1.00 0.00 C ATOM 345 CE2 PHE A 24 77.303 7.660 -4.140 1.00 0.00 C ATOM 346 CZ PHE A 24 78.047 6.496 -4.526 1.00 0.00 C ATOM 0 H PHE A 24 76.753 8.094 -0.399 1.00 0.00 H new ATOM 0 HA PHE A 24 74.748 6.160 0.757 1.00 0.00 H new ATOM 0 HB2 PHE A 24 74.525 5.195 -1.465 1.00 0.00 H new ATOM 0 HB3 PHE A 24 74.189 6.909 -1.608 1.00 0.00 H new ATOM 0 HD1 PHE A 24 76.584 4.191 -2.400 1.00 0.00 H new ATOM 0 HD2 PHE A 24 75.733 8.441 -2.838 1.00 0.00 H new ATOM 0 HE1 PHE A 24 78.346 4.361 -4.183 1.00 0.00 H new ATOM 0 HE2 PHE A 24 77.503 8.610 -4.613 1.00 0.00 H new ATOM 0 HZ PHE A 24 78.804 6.568 -5.293 1.00 0.00 H new ATOM 356 N GLN A 25 76.469 4.278 0.664 1.00 0.00 N ATOM 357 CA GLN A 25 77.583 3.303 0.871 1.00 0.00 C ATOM 358 C GLN A 25 77.189 1.950 0.276 1.00 0.00 C ATOM 359 O GLN A 25 76.036 1.564 0.323 1.00 0.00 O ATOM 360 CB GLN A 25 77.748 3.206 2.389 1.00 0.00 C ATOM 361 CG GLN A 25 78.146 4.579 2.942 1.00 0.00 C ATOM 362 CD GLN A 25 78.296 4.513 4.467 1.00 0.00 C ATOM 363 OE1 GLN A 25 78.329 3.444 5.046 1.00 0.00 O ATOM 364 NE2 GLN A 25 78.385 5.624 5.145 1.00 0.00 N ATOM 0 H GLN A 25 75.535 3.905 0.837 1.00 0.00 H new ATOM 0 HA GLN A 25 78.511 3.610 0.389 1.00 0.00 H new ATOM 0 HB2 GLN A 25 76.817 2.872 2.847 1.00 0.00 H new ATOM 0 HB3 GLN A 25 78.509 2.466 2.637 1.00 0.00 H new ATOM 0 HG2 GLN A 25 79.084 4.903 2.491 1.00 0.00 H new ATOM 0 HG3 GLN A 25 77.392 5.319 2.675 1.00 0.00 H new ATOM 0 HE21 GLN A 25 78.357 6.521 4.660 1.00 0.00 H new ATOM 0 HE22 GLN A 25 78.482 5.596 6.160 1.00 0.00 H new ATOM 373 N GLY A 26 78.133 1.232 -0.284 1.00 0.00 N ATOM 374 CA GLY A 26 77.787 -0.033 -1.003 1.00 0.00 C ATOM 375 C GLY A 26 79.059 -0.732 -1.481 1.00 0.00 C ATOM 376 O GLY A 26 80.142 -0.175 -1.430 1.00 0.00 O ATOM 0 H GLY A 26 79.125 1.467 -0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 26 77.226 -0.694 -0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 26 77.143 0.188 -1.854 1.00 0.00 H new ATOM 380 N LEU A 27 78.933 -1.953 -1.941 1.00 0.00 N ATOM 381 CA LEU A 27 80.101 -2.656 -2.548 1.00 0.00 C ATOM 382 C LEU A 27 80.159 -2.378 -4.051 1.00 0.00 C ATOM 383 O LEU A 27 79.159 -2.421 -4.744 1.00 0.00 O ATOM 384 CB LEU A 27 79.856 -4.143 -2.286 1.00 0.00 C ATOM 385 CG LEU A 27 79.926 -4.417 -0.783 1.00 0.00 C ATOM 386 CD1 LEU A 27 79.356 -5.807 -0.490 1.00 0.00 C ATOM 387 CD2 LEU A 27 81.388 -4.359 -0.322 1.00 0.00 C ATOM 0 H LEU A 27 78.068 -2.493 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 27 81.048 -2.322 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 27 78.880 -4.435 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 27 80.600 -4.743 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 27 79.344 -3.665 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 27 79.406 -6.002 0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 27 78.318 -5.851 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 27 79.938 -6.559 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 27 81.440 -4.554 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 27 81.968 -5.111 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 27 81.796 -3.370 -0.531 1.00 0.00 H new ATOM 399 N ILE A 28 81.331 -2.094 -4.549 1.00 0.00 N ATOM 400 CA ILE A 28 81.483 -1.724 -5.994 1.00 0.00 C ATOM 401 C ILE A 28 81.192 -2.933 -6.894 1.00 0.00 C ATOM 402 O ILE A 28 81.615 -4.039 -6.620 1.00 0.00 O ATOM 403 CB ILE A 28 82.950 -1.277 -6.135 1.00 0.00 C ATOM 404 CG1 ILE A 28 83.199 -0.061 -5.230 1.00 0.00 C ATOM 405 CG2 ILE A 28 83.262 -0.908 -7.594 1.00 0.00 C ATOM 406 CD1 ILE A 28 84.684 0.310 -5.258 1.00 0.00 C ATOM 0 H ILE A 28 82.200 -2.101 -4.016 1.00 0.00 H new ATOM 0 HA ILE A 28 80.787 -0.941 -6.295 1.00 0.00 H new ATOM 0 HB ILE A 28 83.601 -2.099 -5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 28 82.597 0.783 -5.566 1.00 0.00 H new ATOM 0 HG13 ILE A 28 82.890 -0.286 -4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 28 84.303 -0.594 -7.675 1.00 0.00 H new ATOM 0 HG22 ILE A 28 83.093 -1.775 -8.233 1.00 0.00 H new ATOM 0 HG23 ILE A 28 82.612 -0.092 -7.910 1.00 0.00 H new ATOM 0 HD11 ILE A 28 84.856 1.173 -4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 28 85.276 -0.532 -4.901 1.00 0.00 H new ATOM 0 HD13 ILE A 28 84.979 0.554 -6.279 1.00 0.00 H new ATOM 418 N LYS A 29 80.466 -2.719 -7.965 1.00 0.00 N ATOM 419 CA LYS A 29 80.300 -3.788 -8.995 1.00 0.00 C ATOM 420 C LYS A 29 81.160 -3.469 -10.221 1.00 0.00 C ATOM 421 O LYS A 29 81.627 -4.359 -10.908 1.00 0.00 O ATOM 422 CB LYS A 29 78.817 -3.772 -9.368 1.00 0.00 C ATOM 423 CG LYS A 29 78.533 -4.900 -10.365 1.00 0.00 C ATOM 424 CD LYS A 29 77.099 -4.782 -10.885 1.00 0.00 C ATOM 425 CE LYS A 29 76.769 -5.999 -11.753 1.00 0.00 C ATOM 426 NZ LYS A 29 75.455 -5.681 -12.377 1.00 0.00 N ATOM 0 H LYS A 29 79.980 -1.846 -8.169 1.00 0.00 H new ATOM 0 HA LYS A 29 80.610 -4.765 -8.624 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.204 -3.898 -8.475 1.00 0.00 H new ATOM 0 HB3 LYS A 29 78.550 -2.810 -9.805 1.00 0.00 H new ATOM 0 HG2 LYS A 29 79.236 -4.849 -11.196 1.00 0.00 H new ATOM 0 HG3 LYS A 29 78.677 -5.868 -9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 29 76.402 -4.718 -10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 29 76.986 -3.866 -11.465 1.00 0.00 H new ATOM 0 HE2 LYS A 29 77.536 -6.164 -12.510 1.00 0.00 H new ATOM 0 HE3 LYS A 29 76.712 -6.908 -11.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 75.161 -6.469 -12.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 74.743 -5.536 -11.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 75.542 -4.815 -12.947 1.00 0.00 H new ATOM 440 N GLN A 30 81.370 -2.203 -10.496 1.00 0.00 N ATOM 441 CA GLN A 30 82.160 -1.813 -11.705 1.00 0.00 C ATOM 442 C GLN A 30 82.723 -0.402 -11.530 1.00 0.00 C ATOM 443 O GLN A 30 82.120 0.439 -10.891 1.00 0.00 O ATOM 444 CB GLN A 30 81.167 -1.858 -12.866 1.00 0.00 C ATOM 445 CG GLN A 30 81.903 -1.586 -14.180 1.00 0.00 C ATOM 446 CD GLN A 30 80.890 -1.479 -15.320 1.00 0.00 C ATOM 447 OE1 GLN A 30 79.991 -0.662 -15.274 1.00 0.00 O ATOM 448 NE2 GLN A 30 80.997 -2.274 -16.350 1.00 0.00 N ATOM 0 H GLN A 30 81.028 -1.423 -9.934 1.00 0.00 H new ATOM 0 HA GLN A 30 83.008 -2.476 -11.876 1.00 0.00 H new ATOM 0 HB2 GLN A 30 80.681 -2.833 -12.905 1.00 0.00 H new ATOM 0 HB3 GLN A 30 80.383 -1.116 -12.716 1.00 0.00 H new ATOM 0 HG2 GLN A 30 82.478 -0.663 -14.103 1.00 0.00 H new ATOM 0 HG3 GLN A 30 82.613 -2.388 -14.384 1.00 0.00 H new ATOM 0 HE21 GLN A 30 81.751 -2.960 -16.389 1.00 0.00 H new ATOM 0 HE22 GLN A 30 80.326 -2.209 -17.116 1.00 0.00 H new ATOM 457 N ILE A 31 83.878 -0.140 -12.094 1.00 0.00 N ATOM 458 CA ILE A 31 84.512 1.205 -11.934 1.00 0.00 C ATOM 459 C ILE A 31 85.102 1.666 -13.270 1.00 0.00 C ATOM 460 O ILE A 31 85.708 0.898 -13.993 1.00 0.00 O ATOM 461 CB ILE A 31 85.613 1.030 -10.878 1.00 0.00 C ATOM 462 CG1 ILE A 31 84.990 0.546 -9.561 1.00 0.00 C ATOM 463 CG2 ILE A 31 86.332 2.371 -10.641 1.00 0.00 C ATOM 464 CD1 ILE A 31 86.093 0.256 -8.541 1.00 0.00 C ATOM 0 H ILE A 31 84.409 -0.802 -12.659 1.00 0.00 H new ATOM 0 HA ILE A 31 83.791 1.962 -11.624 1.00 0.00 H new ATOM 0 HB ILE A 31 86.334 0.294 -11.234 1.00 0.00 H new ATOM 0 HG12 ILE A 31 84.310 1.303 -9.170 1.00 0.00 H new ATOM 0 HG13 ILE A 31 84.399 -0.353 -9.736 1.00 0.00 H new ATOM 0 HG21 ILE A 31 87.111 2.238 -9.891 1.00 0.00 H new ATOM 0 HG22 ILE A 31 86.781 2.713 -11.574 1.00 0.00 H new ATOM 0 HG23 ILE A 31 85.614 3.112 -10.291 1.00 0.00 H new ATOM 0 HD11 ILE A 31 85.645 -0.087 -7.608 1.00 0.00 H new ATOM 0 HD12 ILE A 31 86.755 -0.517 -8.931 1.00 0.00 H new ATOM 0 HD13 ILE A 31 86.665 1.165 -8.356 1.00 0.00 H new ATOM 476 N SER A 32 84.923 2.920 -13.591 1.00 0.00 N ATOM 477 CA SER A 32 85.569 3.499 -14.804 1.00 0.00 C ATOM 478 C SER A 32 85.919 4.963 -14.543 1.00 0.00 C ATOM 479 O SER A 32 85.348 5.596 -13.676 1.00 0.00 O ATOM 480 CB SER A 32 84.526 3.383 -15.914 1.00 0.00 C ATOM 481 OG SER A 32 83.419 4.220 -15.608 1.00 0.00 O ATOM 0 H SER A 32 84.350 3.574 -13.058 1.00 0.00 H new ATOM 0 HA SER A 32 86.492 2.985 -15.072 1.00 0.00 H new ATOM 0 HB2 SER A 32 84.962 3.672 -16.870 1.00 0.00 H new ATOM 0 HB3 SER A 32 84.198 2.348 -16.014 1.00 0.00 H new ATOM 0 HG SER A 32 82.912 4.404 -16.426 1.00 0.00 H new ATOM 487 N ALA A 33 86.843 5.507 -15.292 1.00 0.00 N ATOM 488 CA ALA A 33 87.376 6.874 -14.972 1.00 0.00 C ATOM 489 C ALA A 33 86.246 7.911 -14.895 1.00 0.00 C ATOM 490 O ALA A 33 86.385 8.935 -14.250 1.00 0.00 O ATOM 491 CB ALA A 33 88.327 7.217 -16.122 1.00 0.00 C ATOM 0 H ALA A 33 87.255 5.066 -16.114 1.00 0.00 H new ATOM 0 HA ALA A 33 87.874 6.886 -14.003 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.756 8.205 -15.957 1.00 0.00 H new ATOM 0 HB2 ALA A 33 89.126 6.477 -16.166 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.777 7.213 -17.063 1.00 0.00 H new ATOM 497 N GLU A 34 85.131 7.655 -15.541 1.00 0.00 N ATOM 498 CA GLU A 34 84.045 8.682 -15.607 1.00 0.00 C ATOM 499 C GLU A 34 83.033 8.494 -14.469 1.00 0.00 C ATOM 500 O GLU A 34 82.381 9.437 -14.058 1.00 0.00 O ATOM 501 CB GLU A 34 83.376 8.463 -16.965 1.00 0.00 C ATOM 502 CG GLU A 34 84.378 8.754 -18.090 1.00 0.00 C ATOM 503 CD GLU A 34 84.809 10.228 -18.055 1.00 0.00 C ATOM 504 OE1 GLU A 34 84.068 11.038 -17.519 1.00 0.00 O ATOM 505 OE2 GLU A 34 85.877 10.521 -18.567 1.00 0.00 O ATOM 0 H GLU A 34 84.928 6.780 -16.024 1.00 0.00 H new ATOM 0 HA GLU A 34 84.439 9.693 -15.499 1.00 0.00 H new ATOM 0 HB2 GLU A 34 83.016 7.437 -17.042 1.00 0.00 H new ATOM 0 HB3 GLU A 34 82.507 9.114 -17.062 1.00 0.00 H new ATOM 0 HG2 GLU A 34 85.251 8.111 -17.983 1.00 0.00 H new ATOM 0 HG3 GLU A 34 83.928 8.523 -19.055 1.00 0.00 H new ATOM 512 N GLU A 35 82.896 7.293 -13.956 1.00 0.00 N ATOM 513 CA GLU A 35 81.798 7.017 -12.973 1.00 0.00 C ATOM 514 C GLU A 35 82.142 5.811 -12.087 1.00 0.00 C ATOM 515 O GLU A 35 82.914 4.951 -12.465 1.00 0.00 O ATOM 516 CB GLU A 35 80.555 6.735 -13.827 1.00 0.00 C ATOM 517 CG GLU A 35 80.808 5.532 -14.744 1.00 0.00 C ATOM 518 CD GLU A 35 79.617 5.349 -15.687 1.00 0.00 C ATOM 519 OE1 GLU A 35 78.571 4.935 -15.214 1.00 0.00 O ATOM 520 OE2 GLU A 35 79.771 5.625 -16.865 1.00 0.00 O ATOM 0 H GLU A 35 83.494 6.496 -14.174 1.00 0.00 H new ATOM 0 HA GLU A 35 81.642 7.856 -12.294 1.00 0.00 H new ATOM 0 HB2 GLU A 35 79.699 6.537 -13.182 1.00 0.00 H new ATOM 0 HB3 GLU A 35 80.308 7.612 -14.425 1.00 0.00 H new ATOM 0 HG2 GLU A 35 81.721 5.686 -15.320 1.00 0.00 H new ATOM 0 HG3 GLU A 35 80.955 4.631 -14.148 1.00 0.00 H new ATOM 527 N ILE A 36 81.569 5.753 -10.911 1.00 0.00 N ATOM 528 CA ILE A 36 81.704 4.531 -10.054 1.00 0.00 C ATOM 529 C ILE A 36 80.330 3.874 -9.879 1.00 0.00 C ATOM 530 O ILE A 36 79.334 4.554 -9.708 1.00 0.00 O ATOM 531 CB ILE A 36 82.232 5.037 -8.702 1.00 0.00 C ATOM 532 CG1 ILE A 36 83.556 5.805 -8.891 1.00 0.00 C ATOM 533 CG2 ILE A 36 82.461 3.848 -7.763 1.00 0.00 C ATOM 534 CD1 ILE A 36 84.612 4.913 -9.560 1.00 0.00 C ATOM 0 H ILE A 36 81.010 6.503 -10.504 1.00 0.00 H new ATOM 0 HA ILE A 36 82.371 3.788 -10.492 1.00 0.00 H new ATOM 0 HB ILE A 36 81.493 5.712 -8.269 1.00 0.00 H new ATOM 0 HG12 ILE A 36 83.383 6.692 -9.501 1.00 0.00 H new ATOM 0 HG13 ILE A 36 83.923 6.149 -7.924 1.00 0.00 H new ATOM 0 HG21 ILE A 36 82.835 4.208 -6.805 1.00 0.00 H new ATOM 0 HG22 ILE A 36 81.520 3.319 -7.610 1.00 0.00 H new ATOM 0 HG23 ILE A 36 83.190 3.170 -8.206 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.538 5.475 -9.684 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.799 4.039 -8.936 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.250 4.591 -10.536 1.00 0.00 H new ATOM 546 N THR A 37 80.267 2.560 -9.920 1.00 0.00 N ATOM 547 CA THR A 37 78.944 1.865 -9.835 1.00 0.00 C ATOM 548 C THR A 37 78.947 0.835 -8.697 1.00 0.00 C ATOM 549 O THR A 37 79.857 0.035 -8.579 1.00 0.00 O ATOM 550 CB THR A 37 78.780 1.167 -11.186 1.00 0.00 C ATOM 551 OG1 THR A 37 78.881 2.127 -12.228 1.00 0.00 O ATOM 552 CG2 THR A 37 77.413 0.483 -11.250 1.00 0.00 C ATOM 0 H THR A 37 81.074 1.943 -10.008 1.00 0.00 H new ATOM 0 HA THR A 37 78.129 2.559 -9.627 1.00 0.00 H new ATOM 0 HB THR A 37 79.562 0.417 -11.304 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.778 1.681 -13.095 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.299 -0.013 -12.214 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.337 -0.254 -10.451 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.627 1.229 -11.131 1.00 0.00 H new ATOM 560 N ILE A 38 77.928 0.850 -7.868 1.00 0.00 N ATOM 561 CA ILE A 38 77.859 -0.110 -6.715 1.00 0.00 C ATOM 562 C ILE A 38 76.470 -0.756 -6.646 1.00 0.00 C ATOM 563 O ILE A 38 75.552 -0.349 -7.335 1.00 0.00 O ATOM 564 CB ILE A 38 78.119 0.714 -5.445 1.00 0.00 C ATOM 565 CG1 ILE A 38 77.116 1.872 -5.362 1.00 0.00 C ATOM 566 CG2 ILE A 38 79.544 1.271 -5.455 1.00 0.00 C ATOM 567 CD1 ILE A 38 76.839 2.211 -3.898 1.00 0.00 C ATOM 0 H ILE A 38 77.136 1.489 -7.940 1.00 0.00 H new ATOM 0 HA ILE A 38 78.591 -0.910 -6.825 1.00 0.00 H new ATOM 0 HB ILE A 38 77.998 0.065 -4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 38 77.512 2.746 -5.879 1.00 0.00 H new ATOM 0 HG13 ILE A 38 76.188 1.598 -5.864 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.714 1.853 -4.549 1.00 0.00 H new ATOM 0 HG22 ILE A 38 80.256 0.447 -5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.679 1.911 -6.327 1.00 0.00 H new ATOM 0 HD11 ILE A 38 76.126 3.034 -3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 38 76.424 1.338 -3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 38 77.769 2.504 -3.410 1.00 0.00 H new ATOM 579 N VAL A 39 76.313 -1.757 -5.812 1.00 0.00 N ATOM 580 CA VAL A 39 75.003 -2.485 -5.730 1.00 0.00 C ATOM 581 C VAL A 39 74.511 -2.567 -4.279 1.00 0.00 C ATOM 582 O VAL A 39 75.263 -2.361 -3.346 1.00 0.00 O ATOM 583 CB VAL A 39 75.276 -3.885 -6.290 1.00 0.00 C ATOM 584 CG1 VAL A 39 75.722 -3.768 -7.745 1.00 0.00 C ATOM 585 CG2 VAL A 39 76.378 -4.572 -5.475 1.00 0.00 C ATOM 0 H VAL A 39 77.037 -2.103 -5.182 1.00 0.00 H new ATOM 0 HA VAL A 39 74.223 -1.970 -6.291 1.00 0.00 H new ATOM 0 HB VAL A 39 74.364 -4.479 -6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.917 -4.762 -8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 39 74.936 -3.288 -8.329 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.631 -3.170 -7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 39 76.565 -5.566 -5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.292 -3.981 -5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 39 76.062 -4.658 -4.435 1.00 0.00 H new ATOM 595 N ARG A 40 73.243 -2.866 -4.086 1.00 0.00 N ATOM 596 CA ARG A 40 72.647 -2.886 -2.703 1.00 0.00 C ATOM 597 C ARG A 40 72.943 -1.577 -1.962 1.00 0.00 C ATOM 598 O ARG A 40 73.414 -1.576 -0.840 1.00 0.00 O ATOM 599 CB ARG A 40 73.308 -4.076 -2.001 1.00 0.00 C ATOM 600 CG ARG A 40 72.842 -5.385 -2.658 1.00 0.00 C ATOM 601 CD ARG A 40 74.036 -6.326 -2.836 1.00 0.00 C ATOM 602 NE ARG A 40 73.446 -7.614 -3.319 1.00 0.00 N ATOM 603 CZ ARG A 40 73.006 -7.757 -4.557 1.00 0.00 C ATOM 604 NH1 ARG A 40 73.061 -6.778 -5.434 1.00 0.00 N ATOM 605 NH2 ARG A 40 72.502 -8.905 -4.922 1.00 0.00 N ATOM 0 H ARG A 40 72.589 -3.099 -4.834 1.00 0.00 H new ATOM 0 HA ARG A 40 71.562 -2.982 -2.728 1.00 0.00 H new ATOM 0 HB2 ARG A 40 74.393 -3.992 -2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 40 73.049 -4.076 -0.942 1.00 0.00 H new ATOM 0 HG2 ARG A 40 72.080 -5.861 -2.041 1.00 0.00 H new ATOM 0 HG3 ARG A 40 72.385 -5.175 -3.625 1.00 0.00 H new ATOM 0 HD2 ARG A 40 74.751 -5.925 -3.555 1.00 0.00 H new ATOM 0 HD3 ARG A 40 74.572 -6.465 -1.897 1.00 0.00 H new ATOM 0 HE ARG A 40 73.382 -8.403 -2.675 1.00 0.00 H new ATOM 0 HH11 ARG A 40 73.452 -5.875 -5.166 1.00 0.00 H new ATOM 0 HH12 ARG A 40 72.712 -6.922 -6.382 1.00 0.00 H new ATOM 0 HH21 ARG A 40 72.452 -9.675 -4.255 1.00 0.00 H new ATOM 0 HH22 ARG A 40 72.158 -9.031 -5.874 1.00 0.00 H new ATOM 619 N ALA A 41 72.662 -0.467 -2.594 1.00 0.00 N ATOM 620 CA ALA A 41 73.066 0.857 -2.024 1.00 0.00 C ATOM 621 C ALA A 41 72.286 1.183 -0.746 1.00 0.00 C ATOM 622 O ALA A 41 71.095 0.938 -0.636 1.00 0.00 O ATOM 623 CB ALA A 41 72.743 1.880 -3.113 1.00 0.00 C ATOM 0 H ALA A 41 72.168 -0.419 -3.485 1.00 0.00 H new ATOM 0 HA ALA A 41 74.120 0.860 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 41 73.013 2.878 -2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 41 73.309 1.643 -4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 41 71.676 1.850 -3.336 1.00 0.00 H new ATOM 629 N PHE A 42 72.965 1.741 0.220 1.00 0.00 N ATOM 630 CA PHE A 42 72.269 2.340 1.394 1.00 0.00 C ATOM 631 C PHE A 42 72.508 3.851 1.389 1.00 0.00 C ATOM 632 O PHE A 42 73.594 4.301 1.084 1.00 0.00 O ATOM 633 CB PHE A 42 72.913 1.695 2.626 1.00 0.00 C ATOM 634 CG PHE A 42 72.237 0.420 3.095 1.00 0.00 C ATOM 635 CD1 PHE A 42 71.953 -0.652 2.177 1.00 0.00 C ATOM 636 CD2 PHE A 42 71.877 0.285 4.479 1.00 0.00 C ATOM 637 CE1 PHE A 42 71.314 -1.848 2.646 1.00 0.00 C ATOM 638 CE2 PHE A 42 71.239 -0.911 4.945 1.00 0.00 C ATOM 639 CZ PHE A 42 70.958 -1.978 4.028 1.00 0.00 C ATOM 0 H PHE A 42 73.983 1.808 0.245 1.00 0.00 H new ATOM 0 HA PHE A 42 71.192 2.170 1.381 1.00 0.00 H new ATOM 0 HB2 PHE A 42 73.957 1.476 2.402 1.00 0.00 H new ATOM 0 HB3 PHE A 42 72.907 2.416 3.443 1.00 0.00 H new ATOM 0 HD1 PHE A 42 72.221 -0.556 1.135 1.00 0.00 H new ATOM 0 HD2 PHE A 42 72.088 1.087 5.171 1.00 0.00 H new ATOM 0 HE1 PHE A 42 71.101 -2.651 1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 42 70.970 -1.009 5.986 1.00 0.00 H new ATOM 0 HZ PHE A 42 70.478 -2.879 4.379 1.00 0.00 H new ATOM 649 N ARG A 43 71.511 4.631 1.723 1.00 0.00 N ATOM 650 CA ARG A 43 71.651 6.118 1.637 1.00 0.00 C ATOM 651 C ARG A 43 71.094 6.774 2.900 1.00 0.00 C ATOM 652 O ARG A 43 70.105 6.334 3.452 1.00 0.00 O ATOM 653 CB ARG A 43 70.825 6.520 0.414 1.00 0.00 C ATOM 654 CG ARG A 43 70.990 8.019 0.156 1.00 0.00 C ATOM 655 CD ARG A 43 70.107 8.434 -1.025 1.00 0.00 C ATOM 656 NE ARG A 43 70.433 9.875 -1.270 1.00 0.00 N ATOM 657 CZ ARG A 43 69.603 10.676 -1.917 1.00 0.00 C ATOM 658 NH1 ARG A 43 68.448 10.253 -2.386 1.00 0.00 N ATOM 659 NH2 ARG A 43 69.940 11.924 -2.100 1.00 0.00 N ATOM 0 H ARG A 43 70.604 4.302 2.052 1.00 0.00 H new ATOM 0 HA ARG A 43 72.691 6.433 1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.148 5.952 -0.459 1.00 0.00 H new ATOM 0 HB3 ARG A 43 69.774 6.282 0.578 1.00 0.00 H new ATOM 0 HG2 ARG A 43 70.715 8.585 1.046 1.00 0.00 H new ATOM 0 HG3 ARG A 43 72.034 8.249 -0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 43 70.317 7.827 -1.906 1.00 0.00 H new ATOM 0 HD3 ARG A 43 69.050 8.303 -0.792 1.00 0.00 H new ATOM 0 HE ARG A 43 71.319 10.249 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 43 68.170 9.281 -2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 43 67.831 10.898 -2.881 1.00 0.00 H new ATOM 0 HH21 ARG A 43 70.832 12.268 -1.746 1.00 0.00 H new ATOM 0 HH22 ARG A 43 69.311 12.555 -2.597 1.00 0.00 H new ATOM 673 N ASN A 44 71.727 7.826 3.367 1.00 0.00 N ATOM 674 CA ASN A 44 71.240 8.539 4.599 1.00 0.00 C ATOM 675 C ASN A 44 71.063 7.558 5.770 1.00 0.00 C ATOM 676 O ASN A 44 70.104 7.635 6.515 1.00 0.00 O ATOM 677 CB ASN A 44 69.894 9.167 4.214 1.00 0.00 C ATOM 678 CG ASN A 44 70.082 10.115 3.026 1.00 0.00 C ATOM 679 OD1 ASN A 44 69.301 10.101 2.095 1.00 0.00 O ATOM 680 ND2 ASN A 44 71.091 10.944 3.016 1.00 0.00 N ATOM 0 H ASN A 44 72.566 8.226 2.946 1.00 0.00 H new ATOM 0 HA ASN A 44 71.956 9.291 4.929 1.00 0.00 H new ATOM 0 HB2 ASN A 44 69.178 8.386 3.957 1.00 0.00 H new ATOM 0 HB3 ASN A 44 69.481 9.711 5.063 1.00 0.00 H new ATOM 0 HD21 ASN A 44 71.222 11.578 2.228 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.748 10.957 3.796 1.00 0.00 H new ATOM 687 N GLY A 45 71.985 6.642 5.929 1.00 0.00 N ATOM 688 CA GLY A 45 71.942 5.705 7.092 1.00 0.00 C ATOM 689 C GLY A 45 70.670 4.845 7.061 1.00 0.00 C ATOM 690 O GLY A 45 70.247 4.327 8.079 1.00 0.00 O ATOM 0 H GLY A 45 72.773 6.502 5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 45 72.821 5.061 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 45 71.979 6.272 8.022 1.00 0.00 H new ATOM 694 N VAL A 46 70.059 4.689 5.908 1.00 0.00 N ATOM 695 CA VAL A 46 68.911 3.738 5.784 1.00 0.00 C ATOM 696 C VAL A 46 68.926 3.085 4.384 1.00 0.00 C ATOM 697 O VAL A 46 69.396 3.686 3.443 1.00 0.00 O ATOM 698 CB VAL A 46 67.660 4.605 6.001 1.00 0.00 C ATOM 699 CG1 VAL A 46 66.383 3.798 5.730 1.00 0.00 C ATOM 700 CG2 VAL A 46 67.644 5.080 7.453 1.00 0.00 C ATOM 0 H VAL A 46 70.307 5.180 5.049 1.00 0.00 H new ATOM 0 HA VAL A 46 68.949 2.919 6.503 1.00 0.00 H new ATOM 0 HB VAL A 46 67.691 5.451 5.314 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.511 4.432 5.890 1.00 0.00 H new ATOM 0 HG12 VAL A 46 66.389 3.442 4.700 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.341 2.945 6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.762 5.697 7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 46 67.618 4.217 8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 46 68.541 5.666 7.654 1.00 0.00 H new ATOM 710 N PRO A 47 68.409 1.873 4.281 1.00 0.00 N ATOM 711 CA PRO A 47 68.479 1.140 2.990 1.00 0.00 C ATOM 712 C PRO A 47 67.568 1.803 1.952 1.00 0.00 C ATOM 713 O PRO A 47 66.559 2.395 2.296 1.00 0.00 O ATOM 714 CB PRO A 47 67.980 -0.273 3.325 1.00 0.00 C ATOM 715 CG PRO A 47 67.871 -0.332 4.820 1.00 0.00 C ATOM 716 CD PRO A 47 67.724 1.078 5.312 1.00 0.00 C ATOM 0 HA PRO A 47 69.483 1.134 2.565 1.00 0.00 H new ATOM 0 HB2 PRO A 47 67.015 -0.467 2.856 1.00 0.00 H new ATOM 0 HB3 PRO A 47 68.672 -1.029 2.955 1.00 0.00 H new ATOM 0 HG2 PRO A 47 67.014 -0.935 5.119 1.00 0.00 H new ATOM 0 HG3 PRO A 47 68.756 -0.800 5.252 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.676 1.363 5.408 1.00 0.00 H new ATOM 0 HD3 PRO A 47 68.182 1.211 6.292 1.00 0.00 H new ATOM 724 N LEU A 48 67.915 1.713 0.688 1.00 0.00 N ATOM 725 CA LEU A 48 67.008 2.242 -0.380 1.00 0.00 C ATOM 726 C LEU A 48 65.832 1.283 -0.588 1.00 0.00 C ATOM 727 O LEU A 48 65.943 0.094 -0.351 1.00 0.00 O ATOM 728 CB LEU A 48 67.867 2.327 -1.646 1.00 0.00 C ATOM 729 CG LEU A 48 69.064 3.255 -1.407 1.00 0.00 C ATOM 730 CD1 LEU A 48 69.948 3.274 -2.655 1.00 0.00 C ATOM 731 CD2 LEU A 48 68.569 4.678 -1.121 1.00 0.00 C ATOM 0 H LEU A 48 68.784 1.298 0.352 1.00 0.00 H new ATOM 0 HA LEU A 48 66.589 3.214 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.217 1.333 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.268 2.699 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 48 69.635 2.891 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 48 70.800 3.933 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 48 70.305 2.265 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.370 3.637 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 48 69.423 5.333 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.996 5.042 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 48 67.936 4.671 -0.234 1.00 0.00 H new ATOM 743 N ARG A 49 64.707 1.795 -1.028 1.00 0.00 N ATOM 744 CA ARG A 49 63.476 0.943 -1.144 1.00 0.00 C ATOM 745 C ARG A 49 63.739 -0.281 -2.030 1.00 0.00 C ATOM 746 O ARG A 49 63.224 -1.356 -1.778 1.00 0.00 O ATOM 747 CB ARG A 49 62.417 1.846 -1.785 1.00 0.00 C ATOM 748 CG ARG A 49 62.095 3.006 -0.839 1.00 0.00 C ATOM 749 CD ARG A 49 60.947 3.842 -1.417 1.00 0.00 C ATOM 750 NE ARG A 49 61.447 4.342 -2.738 1.00 0.00 N ATOM 751 CZ ARG A 49 60.620 4.747 -3.687 1.00 0.00 C ATOM 752 NH1 ARG A 49 59.314 4.735 -3.524 1.00 0.00 N ATOM 753 NH2 ARG A 49 61.113 5.171 -4.818 1.00 0.00 N ATOM 0 H ARG A 49 64.586 2.767 -1.313 1.00 0.00 H new ATOM 0 HA ARG A 49 63.159 0.564 -0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 49 62.780 2.230 -2.738 1.00 0.00 H new ATOM 0 HB3 ARG A 49 61.514 1.273 -1.995 1.00 0.00 H new ATOM 0 HG2 ARG A 49 61.819 2.621 0.143 1.00 0.00 H new ATOM 0 HG3 ARG A 49 62.978 3.630 -0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 49 60.046 3.241 -1.540 1.00 0.00 H new ATOM 0 HD3 ARG A 49 60.691 4.669 -0.755 1.00 0.00 H new ATOM 0 HE ARG A 49 62.452 4.371 -2.910 1.00 0.00 H new ATOM 0 HH11 ARG A 49 58.913 4.407 -2.646 1.00 0.00 H new ATOM 0 HH12 ARG A 49 58.703 5.054 -4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 49 62.123 5.187 -4.960 1.00 0.00 H new ATOM 0 HH22 ARG A 49 60.489 5.487 -5.560 1.00 0.00 H new ATOM 767 N LYS A 50 64.533 -0.122 -3.059 1.00 0.00 N ATOM 768 CA LYS A 50 64.864 -1.281 -3.946 1.00 0.00 C ATOM 769 C LYS A 50 66.296 -1.753 -3.687 1.00 0.00 C ATOM 770 O LYS A 50 67.252 -1.092 -4.049 1.00 0.00 O ATOM 771 CB LYS A 50 64.721 -0.742 -5.369 1.00 0.00 C ATOM 772 CG LYS A 50 64.885 -1.889 -6.368 1.00 0.00 C ATOM 773 CD LYS A 50 64.805 -1.339 -7.794 1.00 0.00 C ATOM 774 CE LYS A 50 64.806 -2.502 -8.790 1.00 0.00 C ATOM 775 NZ LYS A 50 64.955 -1.862 -10.126 1.00 0.00 N ATOM 0 H LYS A 50 64.967 0.762 -3.324 1.00 0.00 H new ATOM 0 HA LYS A 50 64.214 -2.138 -3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 50 63.745 -0.273 -5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.471 0.027 -5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 50 65.842 -2.387 -6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 50 64.107 -2.636 -6.211 1.00 0.00 H new ATOM 0 HD2 LYS A 50 63.900 -0.743 -7.915 1.00 0.00 H new ATOM 0 HD3 LYS A 50 65.650 -0.679 -7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 50 65.625 -3.193 -8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 50 63.882 -3.076 -8.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 64.964 -2.596 -10.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 64.158 -1.215 -10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 65.847 -1.328 -10.158 1.00 0.00 H new ATOM 789 N GLN A 51 66.446 -2.895 -3.061 1.00 0.00 N ATOM 790 CA GLN A 51 67.815 -3.431 -2.771 1.00 0.00 C ATOM 791 C GLN A 51 68.550 -3.749 -4.077 1.00 0.00 C ATOM 792 O GLN A 51 69.749 -3.562 -4.183 1.00 0.00 O ATOM 793 CB GLN A 51 67.590 -4.711 -1.961 1.00 0.00 C ATOM 794 CG GLN A 51 68.936 -5.241 -1.456 1.00 0.00 C ATOM 795 CD GLN A 51 68.722 -6.506 -0.616 1.00 0.00 C ATOM 796 OE1 GLN A 51 67.609 -6.845 -0.265 1.00 0.00 O ATOM 797 NE2 GLN A 51 69.757 -7.226 -0.276 1.00 0.00 N ATOM 0 H GLN A 51 65.677 -3.482 -2.737 1.00 0.00 H new ATOM 0 HA GLN A 51 68.426 -2.710 -2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 51 66.928 -4.509 -1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 51 67.100 -5.463 -2.579 1.00 0.00 H new ATOM 0 HG2 GLN A 51 69.589 -5.462 -2.301 1.00 0.00 H new ATOM 0 HG3 GLN A 51 69.435 -4.478 -0.858 1.00 0.00 H new ATOM 0 HE21 GLN A 51 70.693 -6.944 -0.569 1.00 0.00 H new ATOM 0 HE22 GLN A 51 69.630 -8.070 0.282 1.00 0.00 H new ATOM 806 N ASN A 52 67.837 -4.225 -5.066 1.00 0.00 N ATOM 807 CA ASN A 52 68.495 -4.652 -6.342 1.00 0.00 C ATOM 808 C ASN A 52 68.807 -3.451 -7.251 1.00 0.00 C ATOM 809 O ASN A 52 69.310 -3.626 -8.347 1.00 0.00 O ATOM 810 CB ASN A 52 67.483 -5.579 -7.018 1.00 0.00 C ATOM 811 CG ASN A 52 68.120 -6.217 -8.253 1.00 0.00 C ATOM 812 OD1 ASN A 52 67.825 -5.835 -9.369 1.00 0.00 O ATOM 813 ND2 ASN A 52 68.987 -7.179 -8.102 1.00 0.00 N ATOM 0 H ASN A 52 66.823 -4.337 -5.046 1.00 0.00 H new ATOM 0 HA ASN A 52 69.450 -5.141 -6.150 1.00 0.00 H new ATOM 0 HB2 ASN A 52 67.161 -6.353 -6.321 1.00 0.00 H new ATOM 0 HB3 ASN A 52 66.594 -5.017 -7.304 1.00 0.00 H new ATOM 0 HD21 ASN A 52 69.417 -7.611 -8.920 1.00 0.00 H new ATOM 0 HD22 ASN A 52 69.235 -7.500 -7.166 1.00 0.00 H new ATOM 820 N ALA A 53 68.518 -2.240 -6.819 1.00 0.00 N ATOM 821 CA ALA A 53 68.769 -1.050 -7.694 1.00 0.00 C ATOM 822 C ALA A 53 70.267 -0.739 -7.746 1.00 0.00 C ATOM 823 O ALA A 53 70.946 -0.751 -6.735 1.00 0.00 O ATOM 824 CB ALA A 53 67.999 0.103 -7.041 1.00 0.00 C ATOM 0 H ALA A 53 68.122 -2.029 -5.903 1.00 0.00 H new ATOM 0 HA ALA A 53 68.444 -1.220 -8.721 1.00 0.00 H new ATOM 0 HB1 ALA A 53 68.136 1.011 -7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 53 66.938 -0.145 -6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 53 68.374 0.265 -6.030 1.00 0.00 H new ATOM 830 N GLU A 54 70.780 -0.460 -8.919 1.00 0.00 N ATOM 831 CA GLU A 54 72.225 -0.096 -9.048 1.00 0.00 C ATOM 832 C GLU A 54 72.408 1.425 -8.923 1.00 0.00 C ATOM 833 O GLU A 54 71.634 2.195 -9.460 1.00 0.00 O ATOM 834 CB GLU A 54 72.653 -0.607 -10.440 1.00 0.00 C ATOM 835 CG GLU A 54 71.955 0.178 -11.566 1.00 0.00 C ATOM 836 CD GLU A 54 72.388 -0.381 -12.925 1.00 0.00 C ATOM 837 OE1 GLU A 54 72.635 -1.573 -13.004 1.00 0.00 O ATOM 838 OE2 GLU A 54 72.464 0.395 -13.863 1.00 0.00 O ATOM 0 H GLU A 54 70.258 -0.469 -9.795 1.00 0.00 H new ATOM 0 HA GLU A 54 72.835 -0.540 -8.262 1.00 0.00 H new ATOM 0 HB2 GLU A 54 73.734 -0.515 -10.546 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.413 -1.666 -10.530 1.00 0.00 H new ATOM 0 HG2 GLU A 54 70.873 0.103 -11.459 1.00 0.00 H new ATOM 0 HG3 GLU A 54 72.210 1.236 -11.498 1.00 0.00 H new ATOM 845 N VAL A 55 73.427 1.854 -8.218 1.00 0.00 N ATOM 846 CA VAL A 55 73.718 3.319 -8.120 1.00 0.00 C ATOM 847 C VAL A 55 74.939 3.655 -8.978 1.00 0.00 C ATOM 848 O VAL A 55 76.010 3.116 -8.772 1.00 0.00 O ATOM 849 CB VAL A 55 74.016 3.570 -6.635 1.00 0.00 C ATOM 850 CG1 VAL A 55 74.351 5.049 -6.405 1.00 0.00 C ATOM 851 CG2 VAL A 55 72.787 3.200 -5.800 1.00 0.00 C ATOM 0 H VAL A 55 74.071 1.252 -7.705 1.00 0.00 H new ATOM 0 HA VAL A 55 72.892 3.936 -8.473 1.00 0.00 H new ATOM 0 HB VAL A 55 74.868 2.958 -6.337 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.560 5.215 -5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 55 75.226 5.320 -6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 55 73.504 5.665 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 55 72.997 3.378 -4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 55 71.939 3.812 -6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 55 72.549 2.147 -5.950 1.00 0.00 H new ATOM 861 N VAL A 56 74.782 4.538 -9.932 1.00 0.00 N ATOM 862 CA VAL A 56 75.949 4.962 -10.765 1.00 0.00 C ATOM 863 C VAL A 56 76.108 6.478 -10.682 1.00 0.00 C ATOM 864 O VAL A 56 75.260 7.225 -11.138 1.00 0.00 O ATOM 865 CB VAL A 56 75.637 4.529 -12.200 1.00 0.00 C ATOM 866 CG1 VAL A 56 76.853 4.830 -13.075 1.00 0.00 C ATOM 867 CG2 VAL A 56 75.348 3.024 -12.247 1.00 0.00 C ATOM 0 H VAL A 56 73.896 4.984 -10.170 1.00 0.00 H new ATOM 0 HA VAL A 56 76.880 4.511 -10.421 1.00 0.00 H new ATOM 0 HB VAL A 56 74.762 5.070 -12.560 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.647 4.527 -14.101 1.00 0.00 H new ATOM 0 HG12 VAL A 56 77.065 5.899 -13.048 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.716 4.279 -12.701 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.127 2.728 -13.273 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.219 2.475 -11.890 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.491 2.798 -11.612 1.00 0.00 H new ATOM 877 N LEU A 57 77.186 6.931 -10.105 1.00 0.00 N ATOM 878 CA LEU A 57 77.347 8.391 -9.841 1.00 0.00 C ATOM 879 C LEU A 57 78.689 8.890 -10.383 1.00 0.00 C ATOM 880 O LEU A 57 79.718 8.269 -10.189 1.00 0.00 O ATOM 881 CB LEU A 57 77.251 8.495 -8.322 1.00 0.00 C ATOM 882 CG LEU A 57 75.768 8.540 -7.934 1.00 0.00 C ATOM 883 CD1 LEU A 57 75.568 7.909 -6.559 1.00 0.00 C ATOM 884 CD2 LEU A 57 75.303 9.997 -7.878 1.00 0.00 C ATOM 0 H LEU A 57 77.968 6.350 -9.803 1.00 0.00 H new ATOM 0 HA LEU A 57 76.598 9.011 -10.334 1.00 0.00 H new ATOM 0 HB2 LEU A 57 77.741 7.642 -7.852 1.00 0.00 H new ATOM 0 HB3 LEU A 57 77.763 9.391 -7.970 1.00 0.00 H new ATOM 0 HG LEU A 57 75.191 7.988 -8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 57 74.512 7.946 -6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 57 75.900 6.871 -6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 57 76.149 8.459 -5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 57 74.249 10.032 -7.602 1.00 0.00 H new ATOM 0 HD22 LEU A 57 75.890 10.538 -7.136 1.00 0.00 H new ATOM 0 HD23 LEU A 57 75.438 10.460 -8.856 1.00 0.00 H new ATOM 896 N LYS A 58 78.676 10.008 -11.067 1.00 0.00 N ATOM 897 CA LYS A 58 79.929 10.530 -11.699 1.00 0.00 C ATOM 898 C LYS A 58 80.867 11.109 -10.634 1.00 0.00 C ATOM 899 O LYS A 58 80.441 11.814 -9.739 1.00 0.00 O ATOM 900 CB LYS A 58 79.464 11.627 -12.663 1.00 0.00 C ATOM 901 CG LYS A 58 80.620 12.027 -13.584 1.00 0.00 C ATOM 902 CD LYS A 58 80.145 13.107 -14.558 1.00 0.00 C ATOM 903 CE LYS A 58 81.272 13.442 -15.537 1.00 0.00 C ATOM 904 NZ LYS A 58 81.186 12.397 -16.595 1.00 0.00 N ATOM 0 H LYS A 58 77.848 10.584 -11.216 1.00 0.00 H new ATOM 0 HA LYS A 58 80.485 9.746 -12.213 1.00 0.00 H new ATOM 0 HB2 LYS A 58 78.621 11.271 -13.255 1.00 0.00 H new ATOM 0 HB3 LYS A 58 79.116 12.494 -12.102 1.00 0.00 H new ATOM 0 HG2 LYS A 58 81.458 12.398 -12.994 1.00 0.00 H new ATOM 0 HG3 LYS A 58 80.978 11.157 -14.135 1.00 0.00 H new ATOM 0 HD2 LYS A 58 79.267 12.760 -15.103 1.00 0.00 H new ATOM 0 HD3 LYS A 58 79.847 14.001 -14.010 1.00 0.00 H new ATOM 0 HE2 LYS A 58 81.147 14.440 -15.957 1.00 0.00 H new ATOM 0 HE3 LYS A 58 82.243 13.424 -15.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 82.139 12.039 -16.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 80.588 11.614 -16.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 80.771 12.808 -17.456 1.00 0.00 H new ATOM 918 N CYS A 59 82.141 10.812 -10.727 1.00 0.00 N ATOM 919 CA CYS A 59 83.126 11.313 -9.710 1.00 0.00 C ATOM 920 C CYS A 59 83.040 12.840 -9.554 1.00 0.00 C ATOM 921 O CYS A 59 83.264 13.374 -8.482 1.00 0.00 O ATOM 922 CB CYS A 59 84.511 10.900 -10.238 1.00 0.00 C ATOM 923 SG CYS A 59 84.808 11.619 -11.879 1.00 0.00 S ATOM 0 H CYS A 59 82.546 10.240 -11.468 1.00 0.00 H new ATOM 0 HA CYS A 59 82.924 10.893 -8.725 1.00 0.00 H new ATOM 0 HB2 CYS A 59 85.284 11.231 -9.545 1.00 0.00 H new ATOM 0 HB3 CYS A 59 84.576 9.813 -10.294 1.00 0.00 H new ATOM 0 HG CYS A 59 85.983 11.260 -12.304 1.00 0.00 H new ATOM 929 N THR A 60 82.719 13.538 -10.617 1.00 0.00 N ATOM 930 CA THR A 60 82.638 15.033 -10.547 1.00 0.00 C ATOM 931 C THR A 60 81.511 15.461 -9.599 1.00 0.00 C ATOM 932 O THR A 60 81.540 16.546 -9.047 1.00 0.00 O ATOM 933 CB THR A 60 82.338 15.499 -11.976 1.00 0.00 C ATOM 934 OG1 THR A 60 81.097 14.955 -12.398 1.00 0.00 O ATOM 935 CG2 THR A 60 83.452 15.033 -12.918 1.00 0.00 C ATOM 0 H THR A 60 82.509 13.137 -11.531 1.00 0.00 H new ATOM 0 HA THR A 60 83.562 15.470 -10.167 1.00 0.00 H new ATOM 0 HB THR A 60 82.285 16.587 -11.998 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.599 15.630 -12.905 1.00 0.00 H new ATOM 0 HG21 THR A 60 83.234 15.367 -13.932 1.00 0.00 H new ATOM 0 HG22 THR A 60 84.403 15.455 -12.594 1.00 0.00 H new ATOM 0 HG23 THR A 60 83.513 13.945 -12.899 1.00 0.00 H new ATOM 943 N ASP A 61 80.524 14.618 -9.411 1.00 0.00 N ATOM 944 CA ASP A 61 79.424 14.943 -8.451 1.00 0.00 C ATOM 945 C ASP A 61 79.802 14.478 -7.040 1.00 0.00 C ATOM 946 O ASP A 61 79.305 14.995 -6.057 1.00 0.00 O ATOM 947 CB ASP A 61 78.201 14.178 -8.966 1.00 0.00 C ATOM 948 CG ASP A 61 77.814 14.691 -10.357 1.00 0.00 C ATOM 949 OD1 ASP A 61 78.054 15.856 -10.632 1.00 0.00 O ATOM 950 OD2 ASP A 61 77.280 13.907 -11.125 1.00 0.00 O ATOM 0 H ASP A 61 80.433 13.718 -9.882 1.00 0.00 H new ATOM 0 HA ASP A 61 79.231 16.014 -8.390 1.00 0.00 H new ATOM 0 HB2 ASP A 61 78.420 13.111 -9.010 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.366 14.303 -8.277 1.00 0.00 H new ATOM 955 N ILE A 62 80.678 13.506 -6.936 1.00 0.00 N ATOM 956 CA ILE A 62 81.164 13.060 -5.593 1.00 0.00 C ATOM 957 C ILE A 62 82.264 14.008 -5.103 1.00 0.00 C ATOM 958 O ILE A 62 83.127 14.409 -5.862 1.00 0.00 O ATOM 959 CB ILE A 62 81.725 11.649 -5.814 1.00 0.00 C ATOM 960 CG1 ILE A 62 80.623 10.733 -6.358 1.00 0.00 C ATOM 961 CG2 ILE A 62 82.235 11.083 -4.485 1.00 0.00 C ATOM 962 CD1 ILE A 62 81.228 9.387 -6.763 1.00 0.00 C ATOM 0 H ILE A 62 81.078 13.001 -7.727 1.00 0.00 H new ATOM 0 HA ILE A 62 80.374 13.063 -4.842 1.00 0.00 H new ATOM 0 HB ILE A 62 82.545 11.701 -6.530 1.00 0.00 H new ATOM 0 HG12 ILE A 62 79.853 10.584 -5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 62 80.140 11.199 -7.217 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.633 10.081 -4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 62 83.022 11.727 -4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 62 81.414 11.037 -3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 62 80.443 8.737 -7.150 1.00 0.00 H new ATOM 0 HD12 ILE A 62 81.982 9.544 -7.535 1.00 0.00 H new ATOM 0 HD13 ILE A 62 81.691 8.920 -5.894 1.00 0.00 H new ATOM 974 N ARG A 63 82.236 14.365 -3.841 1.00 0.00 N ATOM 975 CA ARG A 63 83.250 15.322 -3.303 1.00 0.00 C ATOM 976 C ARG A 63 84.323 14.582 -2.497 1.00 0.00 C ATOM 977 O ARG A 63 85.416 15.087 -2.313 1.00 0.00 O ATOM 978 CB ARG A 63 82.461 16.277 -2.407 1.00 0.00 C ATOM 979 CG ARG A 63 81.465 17.069 -3.256 1.00 0.00 C ATOM 980 CD ARG A 63 82.229 18.013 -4.190 1.00 0.00 C ATOM 981 NE ARG A 63 81.173 18.824 -4.876 1.00 0.00 N ATOM 982 CZ ARG A 63 81.441 20.001 -5.417 1.00 0.00 C ATOM 983 NH1 ARG A 63 82.649 20.521 -5.392 1.00 0.00 N ATOM 984 NH2 ARG A 63 80.478 20.665 -5.996 1.00 0.00 N ATOM 0 H ARG A 63 81.553 14.033 -3.160 1.00 0.00 H new ATOM 0 HA ARG A 63 83.774 15.850 -4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 63 81.932 15.716 -1.636 1.00 0.00 H new ATOM 0 HB3 ARG A 63 83.141 16.958 -1.896 1.00 0.00 H new ATOM 0 HG2 ARG A 63 80.844 16.388 -3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 63 80.795 17.640 -2.613 1.00 0.00 H new ATOM 0 HD2 ARG A 63 82.914 18.650 -3.631 1.00 0.00 H new ATOM 0 HD3 ARG A 63 82.828 17.455 -4.910 1.00 0.00 H new ATOM 0 HE ARG A 63 80.222 18.459 -4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 63 83.413 20.014 -4.946 1.00 0.00 H new ATOM 0 HH12 ARG A 63 82.821 21.431 -5.819 1.00 0.00 H new ATOM 0 HH21 ARG A 63 79.536 20.275 -6.026 1.00 0.00 H new ATOM 0 HH22 ARG A 63 80.667 21.574 -6.418 1.00 0.00 H new ATOM 998 N SER A 64 84.026 13.394 -2.014 1.00 0.00 N ATOM 999 CA SER A 64 85.065 12.605 -1.276 1.00 0.00 C ATOM 1000 C SER A 64 84.684 11.124 -1.226 1.00 0.00 C ATOM 1001 O SER A 64 83.520 10.776 -1.201 1.00 0.00 O ATOM 1002 CB SER A 64 85.095 13.203 0.130 1.00 0.00 C ATOM 1003 OG SER A 64 86.142 12.596 0.876 1.00 0.00 O ATOM 0 H SER A 64 83.116 12.942 -2.099 1.00 0.00 H new ATOM 0 HA SER A 64 86.039 12.658 -1.762 1.00 0.00 H new ATOM 0 HB2 SER A 64 85.249 14.281 0.076 1.00 0.00 H new ATOM 0 HB3 SER A 64 84.138 13.042 0.627 1.00 0.00 H new ATOM 0 HG SER A 64 86.165 12.978 1.778 1.00 0.00 H new ATOM 1009 N ILE A 65 85.664 10.250 -1.209 1.00 0.00 N ATOM 1010 CA ILE A 65 85.374 8.783 -1.159 1.00 0.00 C ATOM 1011 C ILE A 65 86.360 8.091 -0.212 1.00 0.00 C ATOM 1012 O ILE A 65 87.505 8.487 -0.095 1.00 0.00 O ATOM 1013 CB ILE A 65 85.548 8.258 -2.589 1.00 0.00 C ATOM 1014 CG1 ILE A 65 84.624 9.024 -3.550 1.00 0.00 C ATOM 1015 CG2 ILE A 65 85.193 6.766 -2.624 1.00 0.00 C ATOM 1016 CD1 ILE A 65 84.867 8.568 -4.995 1.00 0.00 C ATOM 0 H ILE A 65 86.655 10.492 -1.228 1.00 0.00 H new ATOM 0 HA ILE A 65 84.367 8.586 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 65 86.583 8.402 -2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 65 83.582 8.854 -3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 65 84.805 10.095 -3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 65 85.315 6.387 -3.639 1.00 0.00 H new ATOM 0 HG22 ILE A 65 85.853 6.219 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 65 84.159 6.631 -2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 65 84.207 9.118 -5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 65 85.904 8.761 -5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 65 84.663 7.501 -5.079 1.00 0.00 H new ATOM 1028 N ASP A 66 85.915 7.059 0.462 1.00 0.00 N ATOM 1029 CA ASP A 66 86.813 6.316 1.399 1.00 0.00 C ATOM 1030 C ASP A 66 86.599 4.804 1.263 1.00 0.00 C ATOM 1031 O ASP A 66 85.486 4.326 1.353 1.00 0.00 O ATOM 1032 CB ASP A 66 86.408 6.796 2.799 1.00 0.00 C ATOM 1033 CG ASP A 66 84.927 6.492 3.061 1.00 0.00 C ATOM 1034 OD1 ASP A 66 84.099 7.009 2.329 1.00 0.00 O ATOM 1035 OD2 ASP A 66 84.650 5.749 3.988 1.00 0.00 O ATOM 0 H ASP A 66 84.963 6.698 0.403 1.00 0.00 H new ATOM 0 HA ASP A 66 87.867 6.501 1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 66 87.025 6.305 3.551 1.00 0.00 H new ATOM 0 HB3 ASP A 66 86.587 7.867 2.889 1.00 0.00 H new ATOM 1040 N LEU A 67 87.654 4.056 1.046 1.00 0.00 N ATOM 1041 CA LEU A 67 87.532 2.564 1.055 1.00 0.00 C ATOM 1042 C LEU A 67 87.445 2.061 2.500 1.00 0.00 C ATOM 1043 O LEU A 67 88.390 2.174 3.259 1.00 0.00 O ATOM 1044 CB LEU A 67 88.814 2.054 0.388 1.00 0.00 C ATOM 1045 CG LEU A 67 88.607 1.954 -1.135 1.00 0.00 C ATOM 1046 CD1 LEU A 67 89.836 2.509 -1.861 1.00 0.00 C ATOM 1047 CD2 LEU A 67 88.414 0.486 -1.536 1.00 0.00 C ATOM 0 H LEU A 67 88.592 4.413 0.864 1.00 0.00 H new ATOM 0 HA LEU A 67 86.639 2.216 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 67 89.642 2.728 0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 67 89.082 1.078 0.793 1.00 0.00 H new ATOM 0 HG LEU A 67 87.724 2.531 -1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 67 89.686 2.437 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 67 89.981 3.553 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 67 90.717 1.933 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 67 88.268 0.420 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 67 89.297 -0.087 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 67 87.540 0.081 -1.026 1.00 0.00 H new ATOM 1059 N ILE A 68 86.319 1.509 2.879 1.00 0.00 N ATOM 1060 CA ILE A 68 86.151 1.012 4.282 1.00 0.00 C ATOM 1061 C ILE A 68 86.833 -0.350 4.441 1.00 0.00 C ATOM 1062 O ILE A 68 87.581 -0.575 5.376 1.00 0.00 O ATOM 1063 CB ILE A 68 84.635 0.890 4.491 1.00 0.00 C ATOM 1064 CG1 ILE A 68 83.973 2.257 4.286 1.00 0.00 C ATOM 1065 CG2 ILE A 68 84.346 0.402 5.914 1.00 0.00 C ATOM 1066 CD1 ILE A 68 82.452 2.102 4.330 1.00 0.00 C ATOM 0 H ILE A 68 85.506 1.380 2.276 1.00 0.00 H new ATOM 0 HA ILE A 68 86.603 1.681 5.014 1.00 0.00 H new ATOM 0 HB ILE A 68 84.234 0.177 3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 68 84.301 2.951 5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 68 84.278 2.680 3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 68 83.269 0.317 6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 68 84.810 -0.572 6.066 1.00 0.00 H new ATOM 0 HG23 ILE A 68 84.753 1.114 6.632 1.00 0.00 H new ATOM 0 HD11 ILE A 68 81.983 3.075 4.184 1.00 0.00 H new ATOM 0 HD12 ILE A 68 82.132 1.423 3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 68 82.155 1.698 5.298 1.00 0.00 H new ATOM 1078 N GLU A 69 86.578 -1.253 3.530 1.00 0.00 N ATOM 1079 CA GLU A 69 87.140 -2.633 3.646 1.00 0.00 C ATOM 1080 C GLU A 69 87.660 -3.112 2.280 1.00 0.00 C ATOM 1081 O GLU A 69 86.877 -3.537 1.452 1.00 0.00 O ATOM 1082 CB GLU A 69 85.969 -3.499 4.109 1.00 0.00 C ATOM 1083 CG GLU A 69 85.762 -3.317 5.614 1.00 0.00 C ATOM 1084 CD GLU A 69 86.604 -4.346 6.373 1.00 0.00 C ATOM 1085 OE1 GLU A 69 86.168 -5.480 6.472 1.00 0.00 O ATOM 1086 OE2 GLU A 69 87.668 -3.980 6.842 1.00 0.00 O ATOM 0 H GLU A 69 86.000 -1.093 2.705 1.00 0.00 H new ATOM 0 HA GLU A 69 87.980 -2.680 4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.063 -3.222 3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.166 -4.547 3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 69 86.047 -2.308 5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 69 84.708 -3.438 5.864 1.00 0.00 H new