USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 804 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 65 ASN : amide:sc= -2.28 K(o=-2.2,f=-6.6!) USER MOD Set 1.2: A 67 GLN :FLIP amide:sc= 0.0665 F(o=-2.9,f=-2.2) USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 52 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 36 ASN : amide:sc= -1.21! C(o=-3!,f=-7.7!) USER MOD Set 3.2: A 45 ASN : amide:sc= -1.83 K(o=-3,f=-5.7!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 95:sc= -1.16 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -135:sc= -3.28! (180deg=-7.54!) USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.189) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 159:sc= -0.0393 (180deg=-0.287) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 47 CYS SG : rot -30:sc= -2.1! USER MOD Single : A 51 ASN : amide:sc= -0.0235 X(o=-0.023,f=-0.012) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -2.9! C(o=-5.4!,f=-2.9!) USER MOD Single : A 61 GLN : amide:sc= -0.0289 K(o=-0.029,f=-2.4!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -145:sc= -0.341 (180deg=-2.25!) USER MOD Single : A 74 SER OG : rot -26:sc= 0.409 USER MOD Single : A 75 SER OG : rot 40:sc= 0.542 USER MOD Single : A 78 ASN : amide:sc= -1.42 K(o=-1.4,f=-4.8!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.849 USER MOD Single : A 83 GLN : amide:sc= 0.159 K(o=0.16,f=-0.66) USER MOD Single : A 88 MET CE :methyl -113:sc= -0.0717 (180deg=-0.959) USER MOD Single : A 89 SER OG : rot 180:sc= -0.401 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.8!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 CYS SG : rot 21:sc= 0.0275 USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 11 10.035 19.218 2.452 1.00 0.00 N ATOM 121 CA ARG A 11 10.685 18.585 1.312 1.00 0.00 C ATOM 122 C ARG A 11 9.656 18.144 0.275 1.00 0.00 C ATOM 123 O ARG A 11 9.757 18.492 -0.903 1.00 0.00 O ATOM 124 CB ARG A 11 11.509 17.380 1.771 1.00 0.00 C ATOM 125 CG ARG A 11 12.794 17.760 2.488 1.00 0.00 C ATOM 126 CD ARG A 11 13.866 16.695 2.313 1.00 0.00 C ATOM 127 NE ARG A 11 15.009 16.918 3.193 1.00 0.00 N ATOM 128 CZ ARG A 11 15.936 17.844 2.973 1.00 0.00 C ATOM 129 NH1 ARG A 11 15.855 18.628 1.907 1.00 0.00 N ATOM 130 NH2 ARG A 11 16.947 17.987 3.820 1.00 0.00 N ATOM 0 HA ARG A 11 11.349 19.317 0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.900 16.766 2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.754 16.766 0.904 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.159 18.712 2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.591 17.903 3.549 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.438 15.713 2.517 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.203 16.687 1.276 1.00 0.00 H new ATOM 0 HE ARG A 11 15.101 16.331 4.022 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.079 18.521 1.253 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.568 19.338 1.741 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.013 17.386 4.641 1.00 0.00 H new ATOM 0 HH22 ARG A 11 17.658 18.698 3.650 1.00 0.00 H new ATOM 144 N LEU A 12 8.667 17.377 0.719 1.00 0.00 N ATOM 145 CA LEU A 12 7.619 16.888 -0.170 1.00 0.00 C ATOM 146 C LEU A 12 6.960 18.041 -0.921 1.00 0.00 C ATOM 147 O LEU A 12 6.987 19.192 -0.487 1.00 0.00 O ATOM 148 CB LEU A 12 6.566 16.115 0.626 1.00 0.00 C ATOM 149 CG LEU A 12 6.954 14.699 1.055 1.00 0.00 C ATOM 150 CD1 LEU A 12 7.206 13.823 -0.162 1.00 0.00 C ATOM 151 CD2 LEU A 12 8.182 14.732 1.954 1.00 0.00 C ATOM 0 H LEU A 12 8.569 17.080 1.690 1.00 0.00 H new ATOM 0 HA LEU A 12 8.078 16.219 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.321 16.689 1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.658 16.055 0.026 1.00 0.00 H new ATOM 0 HG LEU A 12 6.126 14.271 1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.481 12.819 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.301 13.773 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.017 14.247 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.444 13.716 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.016 15.179 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.966 15.324 2.843 1.00 0.00 H new ATOM 163 N PRO A 13 6.352 17.725 -2.074 1.00 0.00 N ATOM 164 CA PRO A 13 5.672 18.721 -2.908 1.00 0.00 C ATOM 165 C PRO A 13 4.393 19.242 -2.262 1.00 0.00 C ATOM 166 O PRO A 13 3.367 18.562 -2.260 1.00 0.00 O ATOM 167 CB PRO A 13 5.348 17.948 -4.189 1.00 0.00 C ATOM 168 CG PRO A 13 5.280 16.522 -3.765 1.00 0.00 C ATOM 169 CD PRO A 13 6.281 16.373 -2.652 1.00 0.00 C ATOM 0 HA PRO A 13 6.288 19.605 -3.071 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.403 18.278 -4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.116 18.099 -4.947 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.277 16.263 -3.425 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.517 15.856 -4.595 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.957 15.638 -1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.251 16.044 -3.025 1.00 0.00 H new ATOM 177 N GLU A 14 4.461 20.451 -1.715 1.00 0.00 N ATOM 178 CA GLU A 14 3.307 21.062 -1.066 1.00 0.00 C ATOM 179 C GLU A 14 2.099 21.070 -1.999 1.00 0.00 C ATOM 180 O GLU A 14 0.953 21.018 -1.551 1.00 0.00 O ATOM 181 CB GLU A 14 3.637 22.491 -0.629 1.00 0.00 C ATOM 182 CG GLU A 14 3.963 23.421 -1.785 1.00 0.00 C ATOM 183 CD GLU A 14 4.780 24.624 -1.354 1.00 0.00 C ATOM 184 OE1 GLU A 14 4.173 25.650 -0.981 1.00 0.00 O ATOM 185 OE2 GLU A 14 6.025 24.539 -1.389 1.00 0.00 O ATOM 0 H GLU A 14 5.303 21.027 -1.708 1.00 0.00 H new ATOM 0 HA GLU A 14 3.061 20.468 -0.186 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.791 22.897 -0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.484 22.466 0.056 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.512 22.868 -2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.035 23.762 -2.244 1.00 0.00 H new ATOM 192 N THR A 15 2.364 21.135 -3.300 1.00 0.00 N ATOM 193 CA THR A 15 1.300 21.151 -4.296 1.00 0.00 C ATOM 194 C THR A 15 0.664 19.774 -4.444 1.00 0.00 C ATOM 195 O THR A 15 -0.189 19.564 -5.307 1.00 0.00 O ATOM 196 CB THR A 15 1.824 21.612 -5.670 1.00 0.00 C ATOM 197 OG1 THR A 15 3.017 20.894 -6.006 1.00 0.00 O ATOM 198 CG2 THR A 15 2.110 23.106 -5.666 1.00 0.00 C ATOM 0 H THR A 15 3.306 21.177 -3.688 1.00 0.00 H new ATOM 0 HA THR A 15 0.549 21.859 -3.945 1.00 0.00 H new ATOM 0 HB THR A 15 1.055 21.407 -6.415 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.342 21.192 -6.881 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.479 23.408 -6.646 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.194 23.651 -5.439 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.863 23.330 -4.910 1.00 0.00 H new ATOM 206 N ILE A 16 1.083 18.840 -3.598 1.00 0.00 N ATOM 207 CA ILE A 16 0.552 17.483 -3.633 1.00 0.00 C ATOM 208 C ILE A 16 0.307 16.951 -2.226 1.00 0.00 C ATOM 209 O ILE A 16 0.992 17.336 -1.278 1.00 0.00 O ATOM 210 CB ILE A 16 1.504 16.525 -4.373 1.00 0.00 C ATOM 211 CG1 ILE A 16 2.069 17.199 -5.626 1.00 0.00 C ATOM 212 CG2 ILE A 16 0.782 15.237 -4.739 1.00 0.00 C ATOM 213 CD1 ILE A 16 3.100 16.361 -6.350 1.00 0.00 C ATOM 0 H ILE A 16 1.789 18.998 -2.879 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.395 17.529 -4.171 1.00 0.00 H new ATOM 0 HB ILE A 16 2.333 16.278 -3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.250 17.423 -6.309 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.519 18.151 -5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.469 14.571 -5.261 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.424 14.750 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.065 15.466 -5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.457 16.901 -7.227 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.938 16.159 -5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.649 15.419 -6.662 1.00 0.00 H new ATOM 225 N ASP A 17 -0.673 16.064 -2.097 1.00 0.00 N ATOM 226 CA ASP A 17 -1.007 15.476 -0.805 1.00 0.00 C ATOM 227 C ASP A 17 -0.896 13.955 -0.855 1.00 0.00 C ATOM 228 O ASP A 17 -1.695 13.285 -1.510 1.00 0.00 O ATOM 229 CB ASP A 17 -2.421 15.883 -0.386 1.00 0.00 C ATOM 230 CG ASP A 17 -2.657 15.706 1.101 1.00 0.00 C ATOM 231 OD1 ASP A 17 -2.547 14.560 1.588 1.00 0.00 O ATOM 232 OD2 ASP A 17 -2.951 16.712 1.779 1.00 0.00 O ATOM 0 H ASP A 17 -1.250 15.736 -2.871 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.296 15.850 -0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.591 16.925 -0.657 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.147 15.287 -0.940 1.00 0.00 H new ATOM 237 N LEU A 18 0.100 13.417 -0.160 1.00 0.00 N ATOM 238 CA LEU A 18 0.316 11.974 -0.125 1.00 0.00 C ATOM 239 C LEU A 18 -1.012 11.225 -0.101 1.00 0.00 C ATOM 240 O LEU A 18 -1.217 10.280 -0.861 1.00 0.00 O ATOM 241 CB LEU A 18 1.153 11.594 1.098 1.00 0.00 C ATOM 242 CG LEU A 18 2.667 11.551 0.888 1.00 0.00 C ATOM 243 CD1 LEU A 18 3.394 11.838 2.193 1.00 0.00 C ATOM 244 CD2 LEU A 18 3.089 10.201 0.326 1.00 0.00 C ATOM 0 H LEU A 18 0.771 13.957 0.387 1.00 0.00 H new ATOM 0 HA LEU A 18 0.855 11.689 -1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.937 12.304 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.827 10.614 1.446 1.00 0.00 H new ATOM 0 HG LEU A 18 2.937 12.323 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.470 11.803 2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.115 12.828 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.118 11.089 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.169 10.188 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.806 9.412 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.594 10.034 -0.631 1.00 0.00 H new ATOM 256 N GLY A 19 -1.912 11.654 0.778 1.00 0.00 N ATOM 257 CA GLY A 19 -3.210 11.014 0.883 1.00 0.00 C ATOM 258 C GLY A 19 -3.866 10.807 -0.467 1.00 0.00 C ATOM 259 O GLY A 19 -4.324 9.708 -0.781 1.00 0.00 O ATOM 0 H GLY A 19 -1.765 12.433 1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.097 10.051 1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.862 11.622 1.511 1.00 0.00 H new ATOM 263 N ALA A 20 -3.913 11.866 -1.269 1.00 0.00 N ATOM 264 CA ALA A 20 -4.518 11.795 -2.593 1.00 0.00 C ATOM 265 C ALA A 20 -3.748 10.838 -3.498 1.00 0.00 C ATOM 266 O ALA A 20 -4.338 10.131 -4.316 1.00 0.00 O ATOM 267 CB ALA A 20 -4.582 13.180 -3.219 1.00 0.00 C ATOM 0 H ALA A 20 -3.539 12.783 -1.025 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.532 11.411 -2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.036 13.112 -4.208 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.182 13.837 -2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.574 13.585 -3.310 1.00 0.00 H new ATOM 273 N LEU A 21 -2.429 10.821 -3.346 1.00 0.00 N ATOM 274 CA LEU A 21 -1.577 9.951 -4.150 1.00 0.00 C ATOM 275 C LEU A 21 -1.873 8.483 -3.862 1.00 0.00 C ATOM 276 O LEU A 21 -2.118 7.697 -4.778 1.00 0.00 O ATOM 277 CB LEU A 21 -0.103 10.250 -3.873 1.00 0.00 C ATOM 278 CG LEU A 21 0.905 9.580 -4.807 1.00 0.00 C ATOM 279 CD1 LEU A 21 0.295 8.344 -5.451 1.00 0.00 C ATOM 280 CD2 LEU A 21 1.380 10.559 -5.871 1.00 0.00 C ATOM 0 H LEU A 21 -1.926 11.400 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.789 10.146 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.044 11.329 -3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.122 9.947 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 21 1.768 9.270 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.026 7.880 -6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.006 7.635 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.585 8.631 -6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.097 10.064 -6.526 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.527 10.901 -6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.857 11.414 -5.392 1.00 0.00 H new ATOM 292 N TYR A 22 -1.851 8.119 -2.585 1.00 0.00 N ATOM 293 CA TYR A 22 -2.116 6.745 -2.176 1.00 0.00 C ATOM 294 C TYR A 22 -3.421 6.239 -2.784 1.00 0.00 C ATOM 295 O TYR A 22 -3.559 5.053 -3.088 1.00 0.00 O ATOM 296 CB TYR A 22 -2.179 6.648 -0.651 1.00 0.00 C ATOM 297 CG TYR A 22 -2.877 5.402 -0.152 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.214 4.181 -0.110 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.198 5.446 0.276 1.00 0.00 C ATOM 300 CE1 TYR A 22 -2.847 3.041 0.344 1.00 0.00 C ATOM 301 CE2 TYR A 22 -4.838 4.310 0.733 1.00 0.00 C ATOM 302 CZ TYR A 22 -4.159 3.110 0.765 1.00 0.00 C ATOM 303 OH TYR A 22 -4.794 1.977 1.218 1.00 0.00 O ATOM 0 H TYR A 22 -1.652 8.757 -1.814 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.300 6.120 -2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.165 6.671 -0.252 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.695 7.525 -0.260 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.187 4.123 -0.438 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.733 6.384 0.251 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.318 2.100 0.369 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.865 4.361 1.064 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.727 1.933 2.195 1.00 0.00 H new ATOM 313 N LEU A 23 -4.375 7.146 -2.959 1.00 0.00 N ATOM 314 CA LEU A 23 -5.670 6.793 -3.532 1.00 0.00 C ATOM 315 C LEU A 23 -5.525 6.379 -4.993 1.00 0.00 C ATOM 316 O LEU A 23 -6.138 5.409 -5.437 1.00 0.00 O ATOM 317 CB LEU A 23 -6.638 7.971 -3.417 1.00 0.00 C ATOM 318 CG LEU A 23 -7.044 8.371 -1.998 1.00 0.00 C ATOM 319 CD1 LEU A 23 -7.512 9.818 -1.964 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.131 7.445 -1.473 1.00 0.00 C ATOM 0 H LEU A 23 -4.277 8.131 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.069 5.947 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.185 8.836 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.541 7.729 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.171 8.278 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.797 10.084 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.704 10.470 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.371 9.938 -2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.407 7.745 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.005 7.506 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.760 6.420 -1.459 1.00 0.00 H new ATOM 332 N SER A 24 -4.708 7.121 -5.734 1.00 0.00 N ATOM 333 CA SER A 24 -4.483 6.833 -7.146 1.00 0.00 C ATOM 334 C SER A 24 -3.856 5.453 -7.325 1.00 0.00 C ATOM 335 O SER A 24 -4.173 4.734 -8.272 1.00 0.00 O ATOM 336 CB SER A 24 -3.582 7.900 -7.769 1.00 0.00 C ATOM 337 OG SER A 24 -4.317 9.071 -8.078 1.00 0.00 O ATOM 0 H SER A 24 -4.191 7.926 -5.380 1.00 0.00 H new ATOM 0 HA SER A 24 -5.448 6.843 -7.652 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.774 8.145 -7.080 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.120 7.507 -8.675 1.00 0.00 H new ATOM 0 HG SER A 24 -3.718 9.738 -8.473 1.00 0.00 H new ATOM 343 N MET A 25 -2.965 5.092 -6.408 1.00 0.00 N ATOM 344 CA MET A 25 -2.293 3.798 -6.464 1.00 0.00 C ATOM 345 C MET A 25 -3.273 2.665 -6.177 1.00 0.00 C ATOM 346 O MET A 25 -3.054 1.523 -6.583 1.00 0.00 O ATOM 347 CB MET A 25 -1.139 3.756 -5.461 1.00 0.00 C ATOM 348 CG MET A 25 -0.295 5.020 -5.452 1.00 0.00 C ATOM 349 SD MET A 25 1.053 4.947 -4.257 1.00 0.00 S ATOM 350 CE MET A 25 2.455 5.327 -5.305 1.00 0.00 C ATOM 0 H MET A 25 -2.691 5.676 -5.618 1.00 0.00 H new ATOM 0 HA MET A 25 -1.895 3.665 -7.470 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.543 3.591 -4.462 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.500 2.904 -5.691 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.116 5.185 -6.448 1.00 0.00 H new ATOM 0 HG3 MET A 25 -0.931 5.875 -5.224 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.270 4.637 -5.087 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.165 5.227 -6.351 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.784 6.349 -5.116 1.00 0.00 H new ATOM 360 N LYS A 26 -4.354 2.986 -5.475 1.00 0.00 N ATOM 361 CA LYS A 26 -5.369 1.996 -5.135 1.00 0.00 C ATOM 362 C LYS A 26 -6.199 1.624 -6.359 1.00 0.00 C ATOM 363 O LYS A 26 -6.714 0.510 -6.457 1.00 0.00 O ATOM 364 CB LYS A 26 -6.282 2.530 -4.029 1.00 0.00 C ATOM 365 CG LYS A 26 -5.598 2.642 -2.677 1.00 0.00 C ATOM 366 CD LYS A 26 -6.582 2.441 -1.537 1.00 0.00 C ATOM 367 CE LYS A 26 -7.581 3.585 -1.454 1.00 0.00 C ATOM 368 NZ LYS A 26 -8.257 3.636 -0.128 1.00 0.00 N ATOM 0 H LYS A 26 -4.550 3.926 -5.130 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.861 1.100 -4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.656 3.512 -4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.148 1.874 -3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.803 1.900 -2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.129 3.622 -2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.115 1.501 -1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.038 2.362 -0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.068 4.529 -1.637 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.329 3.472 -2.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.643 4.589 0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.031 2.941 -0.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.570 3.413 0.621 1.00 0.00 H new ATOM 382 N ASP A 27 -6.324 2.563 -7.290 1.00 0.00 N ATOM 383 CA ASP A 27 -7.090 2.334 -8.510 1.00 0.00 C ATOM 384 C ASP A 27 -6.740 0.982 -9.125 1.00 0.00 C ATOM 385 O ASP A 27 -5.642 0.462 -8.925 1.00 0.00 O ATOM 386 CB ASP A 27 -6.827 3.451 -9.521 1.00 0.00 C ATOM 387 CG ASP A 27 -7.984 3.647 -10.481 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.206 2.761 -11.332 1.00 0.00 O ATOM 389 OD2 ASP A 27 -8.667 4.688 -10.380 1.00 0.00 O ATOM 0 H ASP A 27 -5.905 3.490 -7.223 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.149 2.332 -8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.639 4.383 -8.988 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.924 3.220 -10.087 1.00 0.00 H new ATOM 394 N THR A 28 -7.683 0.416 -9.873 1.00 0.00 N ATOM 395 CA THR A 28 -7.476 -0.876 -10.515 1.00 0.00 C ATOM 396 C THR A 28 -6.809 -0.713 -11.876 1.00 0.00 C ATOM 397 O THR A 28 -6.171 -1.637 -12.378 1.00 0.00 O ATOM 398 CB THR A 28 -8.805 -1.634 -10.694 1.00 0.00 C ATOM 399 OG1 THR A 28 -8.547 -3.006 -11.010 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.643 -1.003 -11.796 1.00 0.00 C ATOM 0 H THR A 28 -8.597 0.833 -10.049 1.00 0.00 H new ATOM 0 HA THR A 28 -6.823 -1.453 -9.860 1.00 0.00 H new ATOM 0 HB THR A 28 -9.361 -1.576 -9.758 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.397 -3.482 -11.121 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.577 -1.555 -11.904 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.862 0.033 -11.539 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.092 -1.035 -12.736 1.00 0.00 H new ATOM 408 N GLU A 29 -6.961 0.468 -12.467 1.00 0.00 N ATOM 409 CA GLU A 29 -6.373 0.750 -13.771 1.00 0.00 C ATOM 410 C GLU A 29 -5.498 1.999 -13.714 1.00 0.00 C ATOM 411 O GLU A 29 -4.601 2.181 -14.538 1.00 0.00 O ATOM 412 CB GLU A 29 -7.470 0.931 -14.822 1.00 0.00 C ATOM 413 CG GLU A 29 -8.692 1.672 -14.305 1.00 0.00 C ATOM 414 CD GLU A 29 -9.384 2.480 -15.385 1.00 0.00 C ATOM 415 OE1 GLU A 29 -9.448 1.999 -16.536 1.00 0.00 O ATOM 416 OE2 GLU A 29 -9.862 3.593 -15.081 1.00 0.00 O ATOM 0 H GLU A 29 -7.486 1.244 -12.064 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.749 -0.099 -14.050 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.060 1.474 -15.673 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.777 -0.049 -15.187 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.397 0.954 -13.885 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.393 2.337 -13.494 1.00 0.00 H new ATOM 423 N LYS A 30 -5.765 2.858 -12.736 1.00 0.00 N ATOM 424 CA LYS A 30 -5.003 4.089 -12.569 1.00 0.00 C ATOM 425 C LYS A 30 -4.117 4.017 -11.329 1.00 0.00 C ATOM 426 O LYS A 30 -3.680 5.041 -10.806 1.00 0.00 O ATOM 427 CB LYS A 30 -5.948 5.288 -12.464 1.00 0.00 C ATOM 428 CG LYS A 30 -7.097 5.246 -13.457 1.00 0.00 C ATOM 429 CD LYS A 30 -6.727 5.924 -14.766 1.00 0.00 C ATOM 430 CE LYS A 30 -7.964 6.364 -15.535 1.00 0.00 C ATOM 431 NZ LYS A 30 -8.657 7.499 -14.866 1.00 0.00 N ATOM 0 H LYS A 30 -6.504 2.724 -12.046 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.364 4.213 -13.444 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.354 5.333 -11.453 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.378 6.204 -12.619 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.376 4.210 -13.649 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.970 5.736 -13.026 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.096 6.790 -14.563 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.141 5.239 -15.379 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.679 6.657 -16.545 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.651 5.523 -15.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.254 7.997 -15.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.250 7.136 -14.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.951 8.158 -14.481 1.00 0.00 H new ATOM 445 N GLY A 31 -3.854 2.799 -10.865 1.00 0.00 N ATOM 446 CA GLY A 31 -3.020 2.617 -9.691 1.00 0.00 C ATOM 447 C GLY A 31 -1.827 1.722 -9.962 1.00 0.00 C ATOM 448 O GLY A 31 -1.535 1.396 -11.113 1.00 0.00 O ATOM 0 H GLY A 31 -4.203 1.936 -11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.670 3.589 -9.343 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.618 2.187 -8.887 1.00 0.00 H new ATOM 452 N ILE A 32 -1.135 1.324 -8.899 1.00 0.00 N ATOM 453 CA ILE A 32 0.033 0.462 -9.028 1.00 0.00 C ATOM 454 C ILE A 32 -0.377 -0.998 -9.197 1.00 0.00 C ATOM 455 O ILE A 32 -1.212 -1.510 -8.451 1.00 0.00 O ATOM 456 CB ILE A 32 0.961 0.585 -7.805 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.631 1.960 -7.782 1.00 0.00 C ATOM 458 CG2 ILE A 32 2.006 -0.520 -7.820 1.00 0.00 C ATOM 459 CD1 ILE A 32 2.293 2.288 -6.462 1.00 0.00 C ATOM 0 H ILE A 32 -1.363 1.585 -7.940 1.00 0.00 H new ATOM 0 HA ILE A 32 0.571 0.791 -9.917 1.00 0.00 H new ATOM 0 HB ILE A 32 0.362 0.479 -6.901 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.378 2.004 -8.575 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.885 2.723 -8.004 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.654 -0.420 -6.949 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.510 -1.490 -7.793 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.604 -0.443 -8.728 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.747 3.277 -6.519 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.547 2.276 -5.668 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.063 1.547 -6.247 1.00 0.00 H new ATOM 471 N LYS A 33 0.218 -1.663 -10.181 1.00 0.00 N ATOM 472 CA LYS A 33 -0.081 -3.065 -10.447 1.00 0.00 C ATOM 473 C LYS A 33 0.592 -3.970 -9.420 1.00 0.00 C ATOM 474 O LYS A 33 1.700 -3.689 -8.964 1.00 0.00 O ATOM 475 CB LYS A 33 0.376 -3.447 -11.857 1.00 0.00 C ATOM 476 CG LYS A 33 -0.676 -3.205 -12.924 1.00 0.00 C ATOM 477 CD LYS A 33 -1.764 -4.266 -12.886 1.00 0.00 C ATOM 478 CE LYS A 33 -1.305 -5.558 -13.544 1.00 0.00 C ATOM 479 NZ LYS A 33 -1.369 -5.477 -15.029 1.00 0.00 N ATOM 0 H LYS A 33 0.911 -1.253 -10.808 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.160 -3.201 -10.372 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.272 -2.878 -12.106 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.655 -4.501 -11.866 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.121 -2.221 -12.780 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.205 -3.201 -13.907 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.046 -4.463 -11.852 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.654 -3.894 -13.393 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.283 -5.779 -13.236 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.928 -6.383 -13.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.048 -6.377 -15.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.349 -5.291 -15.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.755 -4.706 -15.361 1.00 0.00 H new ATOM 493 N GLU A 34 -0.085 -5.057 -9.062 1.00 0.00 N ATOM 494 CA GLU A 34 0.450 -6.002 -8.089 1.00 0.00 C ATOM 495 C GLU A 34 0.784 -7.335 -8.752 1.00 0.00 C ATOM 496 O GLU A 34 -0.016 -7.880 -9.515 1.00 0.00 O ATOM 497 CB GLU A 34 -0.552 -6.222 -6.954 1.00 0.00 C ATOM 498 CG GLU A 34 -1.115 -4.932 -6.381 1.00 0.00 C ATOM 499 CD GLU A 34 -2.368 -4.472 -7.100 1.00 0.00 C ATOM 500 OE1 GLU A 34 -3.010 -5.311 -7.767 1.00 0.00 O ATOM 501 OE2 GLU A 34 -2.707 -3.275 -6.996 1.00 0.00 O ATOM 0 H GLU A 34 -1.003 -5.304 -9.431 1.00 0.00 H new ATOM 0 HA GLU A 34 1.367 -5.580 -7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.374 -6.836 -7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.066 -6.783 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.339 -5.076 -5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.358 -4.151 -6.443 1.00 0.00 H new ATOM 508 N LEU A 35 1.971 -7.855 -8.458 1.00 0.00 N ATOM 509 CA LEU A 35 2.412 -9.124 -9.025 1.00 0.00 C ATOM 510 C LEU A 35 2.785 -10.113 -7.925 1.00 0.00 C ATOM 511 O LEU A 35 3.189 -9.717 -6.833 1.00 0.00 O ATOM 512 CB LEU A 35 3.608 -8.902 -9.954 1.00 0.00 C ATOM 513 CG LEU A 35 3.347 -8.039 -11.189 1.00 0.00 C ATOM 514 CD1 LEU A 35 2.033 -8.432 -11.847 1.00 0.00 C ATOM 515 CD2 LEU A 35 3.339 -6.564 -10.817 1.00 0.00 C ATOM 0 H LEU A 35 2.645 -7.417 -7.830 1.00 0.00 H new ATOM 0 HA LEU A 35 1.586 -9.543 -9.599 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.410 -8.442 -9.377 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.971 -9.875 -10.285 1.00 0.00 H new ATOM 0 HG LEU A 35 4.152 -8.208 -11.904 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.864 -7.807 -12.724 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.076 -9.478 -12.150 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.216 -8.293 -11.139 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.152 -5.965 -11.708 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.555 -6.378 -10.083 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.305 -6.291 -10.392 1.00 0.00 H new ATOM 527 N ASN A 36 2.648 -11.401 -8.222 1.00 0.00 N ATOM 528 CA ASN A 36 2.973 -12.446 -7.259 1.00 0.00 C ATOM 529 C ASN A 36 4.319 -13.086 -7.583 1.00 0.00 C ATOM 530 O ASN A 36 4.390 -14.065 -8.327 1.00 0.00 O ATOM 531 CB ASN A 36 1.877 -13.514 -7.246 1.00 0.00 C ATOM 532 CG ASN A 36 1.845 -14.324 -8.527 1.00 0.00 C ATOM 533 OD1 ASN A 36 2.237 -13.842 -9.590 1.00 0.00 O ATOM 534 ND2 ASN A 36 1.374 -15.563 -8.433 1.00 0.00 N ATOM 0 H ASN A 36 2.314 -11.746 -9.122 1.00 0.00 H new ATOM 0 HA ASN A 36 3.038 -11.989 -6.272 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.035 -14.183 -6.400 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.909 -13.036 -7.097 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.327 -16.155 -9.262 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.060 -15.922 -7.532 1.00 0.00 H new ATOM 541 N LEU A 37 5.384 -12.528 -7.019 1.00 0.00 N ATOM 542 CA LEU A 37 6.730 -13.044 -7.247 1.00 0.00 C ATOM 543 C LEU A 37 7.137 -14.011 -6.141 1.00 0.00 C ATOM 544 O LEU A 37 6.709 -13.874 -4.995 1.00 0.00 O ATOM 545 CB LEU A 37 7.733 -11.891 -7.327 1.00 0.00 C ATOM 546 CG LEU A 37 7.637 -11.003 -8.568 1.00 0.00 C ATOM 547 CD1 LEU A 37 8.038 -11.780 -9.813 1.00 0.00 C ATOM 548 CD2 LEU A 37 6.230 -10.443 -8.717 1.00 0.00 C ATOM 0 H LEU A 37 5.342 -11.718 -6.400 1.00 0.00 H new ATOM 0 HA LEU A 37 6.730 -13.584 -8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.606 -11.263 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.739 -12.307 -7.280 1.00 0.00 H new ATOM 0 HG LEU A 37 8.327 -10.168 -8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.963 -11.132 -10.686 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.065 -12.131 -9.708 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.374 -12.635 -9.938 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.181 -9.814 -9.606 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.520 -11.264 -8.815 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.980 -9.849 -7.838 1.00 0.00 H new ATOM 560 N GLU A 38 7.967 -14.989 -6.492 1.00 0.00 N ATOM 561 CA GLU A 38 8.432 -15.978 -5.527 1.00 0.00 C ATOM 562 C GLU A 38 9.909 -15.768 -5.202 1.00 0.00 C ATOM 563 O GLU A 38 10.776 -16.476 -5.715 1.00 0.00 O ATOM 564 CB GLU A 38 8.214 -17.392 -6.067 1.00 0.00 C ATOM 565 CG GLU A 38 8.715 -18.484 -5.137 1.00 0.00 C ATOM 566 CD GLU A 38 8.597 -19.868 -5.745 1.00 0.00 C ATOM 567 OE1 GLU A 38 9.511 -20.267 -6.496 1.00 0.00 O ATOM 568 OE2 GLU A 38 7.589 -20.553 -5.468 1.00 0.00 O ATOM 0 H GLU A 38 8.331 -15.117 -7.436 1.00 0.00 H new ATOM 0 HA GLU A 38 7.854 -15.854 -4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.150 -17.542 -6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.718 -17.486 -7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.757 -18.290 -4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.149 -18.451 -4.206 1.00 0.00 H new ATOM 575 N LYS A 39 10.187 -14.791 -4.346 1.00 0.00 N ATOM 576 CA LYS A 39 11.557 -14.487 -3.950 1.00 0.00 C ATOM 577 C LYS A 39 11.787 -14.825 -2.481 1.00 0.00 C ATOM 578 O LYS A 39 10.868 -14.749 -1.665 1.00 0.00 O ATOM 579 CB LYS A 39 11.865 -13.008 -4.198 1.00 0.00 C ATOM 580 CG LYS A 39 13.240 -12.584 -3.713 1.00 0.00 C ATOM 581 CD LYS A 39 14.328 -13.002 -4.688 1.00 0.00 C ATOM 582 CE LYS A 39 15.511 -12.046 -4.647 1.00 0.00 C ATOM 583 NZ LYS A 39 16.788 -12.729 -4.995 1.00 0.00 N ATOM 0 H LYS A 39 9.481 -14.196 -3.913 1.00 0.00 H new ATOM 0 HA LYS A 39 12.227 -15.098 -4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.786 -12.803 -5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.110 -12.400 -3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.263 -11.502 -3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.435 -13.027 -2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.665 -14.010 -4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.920 -13.034 -5.698 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.338 -11.224 -5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.592 -11.610 -3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.570 -12.044 -4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.967 -13.498 -4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.721 -13.123 -5.955 1.00 0.00 H new ATOM 597 N ASP A 40 13.018 -15.198 -2.150 1.00 0.00 N ATOM 598 CA ASP A 40 13.369 -15.546 -0.778 1.00 0.00 C ATOM 599 C ASP A 40 12.417 -16.601 -0.225 1.00 0.00 C ATOM 600 O ASP A 40 11.831 -16.425 0.844 1.00 0.00 O ATOM 601 CB ASP A 40 13.342 -14.300 0.109 1.00 0.00 C ATOM 602 CG ASP A 40 14.067 -14.510 1.424 1.00 0.00 C ATOM 603 OD1 ASP A 40 15.250 -14.908 1.392 1.00 0.00 O ATOM 604 OD2 ASP A 40 13.450 -14.277 2.486 1.00 0.00 O ATOM 0 H ASP A 40 13.790 -15.267 -2.813 1.00 0.00 H new ATOM 0 HA ASP A 40 14.378 -15.959 -0.780 1.00 0.00 H new ATOM 0 HB2 ASP A 40 13.799 -13.467 -0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.307 -14.022 0.308 1.00 0.00 H new ATOM 609 N LYS A 41 12.267 -17.698 -0.959 1.00 0.00 N ATOM 610 CA LYS A 41 11.387 -18.784 -0.542 1.00 0.00 C ATOM 611 C LYS A 41 10.082 -18.237 0.028 1.00 0.00 C ATOM 612 O LYS A 41 9.441 -18.877 0.862 1.00 0.00 O ATOM 613 CB LYS A 41 12.083 -19.662 0.499 1.00 0.00 C ATOM 614 CG LYS A 41 13.241 -20.469 -0.062 1.00 0.00 C ATOM 615 CD LYS A 41 13.694 -21.545 0.911 1.00 0.00 C ATOM 616 CE LYS A 41 14.611 -22.554 0.238 1.00 0.00 C ATOM 617 NZ LYS A 41 14.783 -23.783 1.061 1.00 0.00 N ATOM 0 H LYS A 41 12.744 -17.859 -1.846 1.00 0.00 H new ATOM 0 HA LYS A 41 11.155 -19.388 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.450 -19.030 1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.352 -20.344 0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.942 -20.931 -1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.075 -19.804 -0.284 1.00 0.00 H new ATOM 0 HD2 LYS A 41 14.214 -21.083 1.750 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.823 -22.058 1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.202 -22.823 -0.736 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.585 -22.097 0.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.415 -24.446 0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.197 -23.530 1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.857 -24.233 1.210 1.00 0.00 H new ATOM 631 N LYS A 42 9.693 -17.051 -0.427 1.00 0.00 N ATOM 632 CA LYS A 42 8.464 -16.419 0.036 1.00 0.00 C ATOM 633 C LYS A 42 7.703 -15.792 -1.128 1.00 0.00 C ATOM 634 O LYS A 42 8.192 -14.865 -1.774 1.00 0.00 O ATOM 635 CB LYS A 42 8.778 -15.352 1.087 1.00 0.00 C ATOM 636 CG LYS A 42 9.191 -15.926 2.431 1.00 0.00 C ATOM 637 CD LYS A 42 9.472 -14.828 3.444 1.00 0.00 C ATOM 638 CE LYS A 42 9.525 -15.377 4.861 1.00 0.00 C ATOM 639 NZ LYS A 42 10.828 -16.037 5.152 1.00 0.00 N ATOM 0 H LYS A 42 10.212 -16.508 -1.117 1.00 0.00 H new ATOM 0 HA LYS A 42 7.837 -17.189 0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.577 -14.711 0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.900 -14.721 1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.402 -16.577 2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.081 -16.543 2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.419 -14.344 3.204 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.698 -14.064 3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.362 -14.566 5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.715 -16.093 5.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.824 -16.398 6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.972 -16.827 4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.599 -15.348 5.041 1.00 0.00 H new ATOM 653 N ILE A 43 6.504 -16.302 -1.388 1.00 0.00 N ATOM 654 CA ILE A 43 5.675 -15.790 -2.473 1.00 0.00 C ATOM 655 C ILE A 43 4.771 -14.662 -1.987 1.00 0.00 C ATOM 656 O ILE A 43 3.742 -14.904 -1.357 1.00 0.00 O ATOM 657 CB ILE A 43 4.805 -16.901 -3.089 1.00 0.00 C ATOM 658 CG1 ILE A 43 5.686 -18.036 -3.615 1.00 0.00 C ATOM 659 CG2 ILE A 43 3.938 -16.336 -4.205 1.00 0.00 C ATOM 660 CD1 ILE A 43 4.900 -19.209 -4.159 1.00 0.00 C ATOM 0 H ILE A 43 6.085 -17.069 -0.863 1.00 0.00 H new ATOM 0 HA ILE A 43 6.353 -15.407 -3.235 1.00 0.00 H new ATOM 0 HB ILE A 43 4.152 -17.303 -2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.334 -17.648 -4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.334 -18.385 -2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.328 -17.133 -4.631 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.289 -15.558 -3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.575 -15.912 -4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.589 -19.975 -4.514 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.272 -19.623 -3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.272 -18.875 -4.985 1.00 0.00 H new ATOM 672 N PHE A 44 5.161 -13.427 -2.288 1.00 0.00 N ATOM 673 CA PHE A 44 4.386 -12.261 -1.883 1.00 0.00 C ATOM 674 C PHE A 44 3.278 -11.968 -2.891 1.00 0.00 C ATOM 675 O PHE A 44 3.485 -11.242 -3.863 1.00 0.00 O ATOM 676 CB PHE A 44 5.297 -11.040 -1.741 1.00 0.00 C ATOM 677 CG PHE A 44 6.490 -11.282 -0.861 1.00 0.00 C ATOM 678 CD1 PHE A 44 7.654 -11.824 -1.383 1.00 0.00 C ATOM 679 CD2 PHE A 44 6.448 -10.967 0.488 1.00 0.00 C ATOM 680 CE1 PHE A 44 8.753 -12.048 -0.575 1.00 0.00 C ATOM 681 CE2 PHE A 44 7.544 -11.189 1.300 1.00 0.00 C ATOM 682 CZ PHE A 44 8.698 -11.729 0.768 1.00 0.00 C ATOM 0 H PHE A 44 6.009 -13.209 -2.811 1.00 0.00 H new ATOM 0 HA PHE A 44 3.928 -12.478 -0.918 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.640 -10.736 -2.730 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.718 -10.210 -1.335 1.00 0.00 H new ATOM 0 HD1 PHE A 44 7.703 -12.074 -2.433 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.548 -10.543 0.909 1.00 0.00 H new ATOM 0 HE1 PHE A 44 9.654 -12.472 -0.993 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.498 -10.940 2.350 1.00 0.00 H new ATOM 0 HZ PHE A 44 9.556 -11.902 1.401 1.00 0.00 H new ATOM 692 N ASN A 45 2.102 -12.539 -2.651 1.00 0.00 N ATOM 693 CA ASN A 45 0.961 -12.340 -3.538 1.00 0.00 C ATOM 694 C ASN A 45 0.384 -10.938 -3.377 1.00 0.00 C ATOM 695 O ASN A 45 0.566 -10.295 -2.342 1.00 0.00 O ATOM 696 CB ASN A 45 -0.120 -13.385 -3.254 1.00 0.00 C ATOM 697 CG ASN A 45 0.056 -14.640 -4.086 1.00 0.00 C ATOM 698 OD1 ASN A 45 0.092 -14.583 -5.315 1.00 0.00 O ATOM 699 ND2 ASN A 45 0.165 -15.783 -3.418 1.00 0.00 N ATOM 0 H ASN A 45 1.914 -13.143 -1.851 1.00 0.00 H new ATOM 0 HA ASN A 45 1.307 -12.454 -4.565 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.099 -13.648 -2.196 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.100 -12.953 -3.455 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.284 -16.660 -3.924 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.130 -15.783 -2.399 1.00 0.00 H new ATOM 706 N HIS A 46 -0.313 -10.468 -4.407 1.00 0.00 N ATOM 707 CA HIS A 46 -0.919 -9.142 -4.379 1.00 0.00 C ATOM 708 C HIS A 46 0.079 -8.099 -3.884 1.00 0.00 C ATOM 709 O HIS A 46 -0.277 -7.196 -3.125 1.00 0.00 O ATOM 710 CB HIS A 46 -2.159 -9.143 -3.484 1.00 0.00 C ATOM 711 CG HIS A 46 -3.249 -10.046 -3.973 1.00 0.00 C ATOM 712 ND1 HIS A 46 -3.771 -9.974 -5.247 1.00 0.00 N ATOM 713 CD2 HIS A 46 -3.915 -11.046 -3.351 1.00 0.00 C ATOM 714 CE1 HIS A 46 -4.712 -10.891 -5.387 1.00 0.00 C ATOM 715 NE2 HIS A 46 -4.819 -11.555 -4.251 1.00 0.00 N ATOM 0 H HIS A 46 -0.472 -10.986 -5.271 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.214 -8.883 -5.396 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.871 -9.447 -2.478 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.546 -8.126 -3.411 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.764 -11.382 -2.336 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.295 -11.067 -6.279 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.468 -12.321 -4.071 1.00 0.00 H new ATOM 724 N CYS A 47 1.328 -8.230 -4.316 1.00 0.00 N ATOM 725 CA CYS A 47 2.378 -7.301 -3.916 1.00 0.00 C ATOM 726 C CYS A 47 3.105 -6.743 -5.135 1.00 0.00 C ATOM 727 O CYS A 47 3.237 -7.419 -6.155 1.00 0.00 O ATOM 728 CB CYS A 47 3.375 -7.994 -2.986 1.00 0.00 C ATOM 729 SG CYS A 47 4.162 -6.889 -1.791 1.00 0.00 S ATOM 0 H CYS A 47 1.638 -8.971 -4.944 1.00 0.00 H new ATOM 0 HA CYS A 47 1.911 -6.472 -3.384 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.860 -8.788 -2.446 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.148 -8.469 -3.589 1.00 0.00 H new ATOM 0 HG CYS A 47 4.252 -5.695 -2.298 1.00 0.00 H new ATOM 735 N PHE A 48 3.573 -5.504 -5.023 1.00 0.00 N ATOM 736 CA PHE A 48 4.284 -4.853 -6.118 1.00 0.00 C ATOM 737 C PHE A 48 5.766 -4.701 -5.789 1.00 0.00 C ATOM 738 O PHE A 48 6.154 -4.664 -4.621 1.00 0.00 O ATOM 739 CB PHE A 48 3.670 -3.482 -6.409 1.00 0.00 C ATOM 740 CG PHE A 48 3.179 -2.772 -5.179 1.00 0.00 C ATOM 741 CD1 PHE A 48 1.902 -3.002 -4.695 1.00 0.00 C ATOM 742 CD2 PHE A 48 3.995 -1.875 -4.509 1.00 0.00 C ATOM 743 CE1 PHE A 48 1.447 -2.351 -3.563 1.00 0.00 C ATOM 744 CE2 PHE A 48 3.545 -1.221 -3.378 1.00 0.00 C ATOM 745 CZ PHE A 48 2.269 -1.458 -2.905 1.00 0.00 C ATOM 0 H PHE A 48 3.473 -4.931 -4.185 1.00 0.00 H new ATOM 0 HA PHE A 48 4.189 -5.480 -7.004 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.413 -2.858 -6.907 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.839 -3.605 -7.104 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.254 -3.698 -5.207 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.993 -1.685 -4.875 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.450 -2.541 -3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.191 -0.525 -2.864 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.915 -0.946 -2.022 1.00 0.00 H new ATOM 755 N THR A 49 6.590 -4.613 -6.828 1.00 0.00 N ATOM 756 CA THR A 49 8.030 -4.467 -6.651 1.00 0.00 C ATOM 757 C THR A 49 8.416 -3.002 -6.480 1.00 0.00 C ATOM 758 O THR A 49 7.779 -2.112 -7.042 1.00 0.00 O ATOM 759 CB THR A 49 8.805 -5.055 -7.845 1.00 0.00 C ATOM 760 OG1 THR A 49 8.453 -4.361 -9.047 1.00 0.00 O ATOM 761 CG2 THR A 49 8.509 -6.538 -8.005 1.00 0.00 C ATOM 0 H THR A 49 6.285 -4.640 -7.801 1.00 0.00 H new ATOM 0 HA THR A 49 8.296 -5.018 -5.749 1.00 0.00 H new ATOM 0 HB THR A 49 9.871 -4.932 -7.654 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.951 -4.740 -9.801 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.068 -6.931 -8.855 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.805 -7.068 -7.100 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.442 -6.680 -8.176 1.00 0.00 H new ATOM 769 N GLY A 50 9.466 -2.759 -5.701 1.00 0.00 N ATOM 770 CA GLY A 50 9.920 -1.400 -5.471 1.00 0.00 C ATOM 771 C GLY A 50 9.907 -0.562 -6.734 1.00 0.00 C ATOM 772 O GLY A 50 9.548 0.614 -6.704 1.00 0.00 O ATOM 0 H GLY A 50 10.010 -3.479 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.284 -0.930 -4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.931 -1.422 -5.064 1.00 0.00 H new ATOM 776 N ASN A 51 10.302 -1.170 -7.849 1.00 0.00 N ATOM 777 CA ASN A 51 10.337 -0.471 -9.129 1.00 0.00 C ATOM 778 C ASN A 51 8.941 -0.002 -9.530 1.00 0.00 C ATOM 779 O ASN A 51 8.693 1.197 -9.665 1.00 0.00 O ATOM 780 CB ASN A 51 10.913 -1.382 -10.215 1.00 0.00 C ATOM 781 CG ASN A 51 10.535 -0.927 -11.611 1.00 0.00 C ATOM 782 OD1 ASN A 51 11.053 0.071 -12.113 1.00 0.00 O ATOM 783 ND2 ASN A 51 9.627 -1.659 -12.246 1.00 0.00 N ATOM 0 H ASN A 51 10.602 -2.144 -7.892 1.00 0.00 H new ATOM 0 HA ASN A 51 10.978 0.404 -9.021 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.999 -1.408 -10.126 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.556 -2.400 -10.058 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.333 -1.402 -13.188 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.224 -2.478 -11.792 1.00 0.00 H new ATOM 790 N CYS A 52 8.035 -0.955 -9.720 1.00 0.00 N ATOM 791 CA CYS A 52 6.664 -0.640 -10.107 1.00 0.00 C ATOM 792 C CYS A 52 6.192 0.645 -9.435 1.00 0.00 C ATOM 793 O CYS A 52 5.592 1.509 -10.075 1.00 0.00 O ATOM 794 CB CYS A 52 5.731 -1.795 -9.740 1.00 0.00 C ATOM 795 SG CYS A 52 5.681 -3.121 -10.968 1.00 0.00 S ATOM 0 H CYS A 52 8.225 -1.951 -9.613 1.00 0.00 H new ATOM 0 HA CYS A 52 6.641 -0.493 -11.187 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.045 -2.212 -8.783 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.723 -1.404 -9.602 1.00 0.00 H new ATOM 0 HG CYS A 52 4.867 -4.052 -10.568 1.00 0.00 H new ATOM 801 N VAL A 53 6.464 0.764 -8.139 1.00 0.00 N ATOM 802 CA VAL A 53 6.066 1.944 -7.380 1.00 0.00 C ATOM 803 C VAL A 53 6.645 3.213 -7.993 1.00 0.00 C ATOM 804 O VAL A 53 5.907 4.117 -8.387 1.00 0.00 O ATOM 805 CB VAL A 53 6.518 1.844 -5.911 1.00 0.00 C ATOM 806 CG1 VAL A 53 6.116 3.093 -5.142 1.00 0.00 C ATOM 807 CG2 VAL A 53 5.939 0.597 -5.259 1.00 0.00 C ATOM 0 H VAL A 53 6.958 0.058 -7.593 1.00 0.00 H new ATOM 0 HA VAL A 53 4.978 1.991 -7.416 1.00 0.00 H new ATOM 0 HB VAL A 53 7.605 1.767 -5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.444 3.004 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.583 3.966 -5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.032 3.205 -5.171 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.269 0.542 -4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.850 0.641 -5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.283 -0.287 -5.796 1.00 0.00 H new ATOM 817 N ILE A 54 7.970 3.275 -8.071 1.00 0.00 N ATOM 818 CA ILE A 54 8.648 4.434 -8.638 1.00 0.00 C ATOM 819 C ILE A 54 8.161 4.718 -10.055 1.00 0.00 C ATOM 820 O ILE A 54 7.654 5.802 -10.343 1.00 0.00 O ATOM 821 CB ILE A 54 10.176 4.237 -8.662 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.688 3.884 -7.265 1.00 0.00 C ATOM 823 CG2 ILE A 54 10.863 5.490 -9.184 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.707 5.059 -6.313 1.00 0.00 C ATOM 0 H ILE A 54 8.595 2.536 -7.749 1.00 0.00 H new ATOM 0 HA ILE A 54 8.409 5.283 -7.998 1.00 0.00 H new ATOM 0 HB ILE A 54 10.411 3.411 -9.334 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.061 3.097 -6.845 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.696 3.478 -7.348 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.942 5.336 -9.195 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.516 5.700 -10.196 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.624 6.333 -8.536 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.081 4.735 -5.342 1.00 0.00 H new ATOM 0 HD12 ILE A 54 11.357 5.839 -6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.697 5.452 -6.200 1.00 0.00 H new ATOM 836 N ASP A 55 8.316 3.735 -10.935 1.00 0.00 N ATOM 837 CA ASP A 55 7.890 3.877 -12.323 1.00 0.00 C ATOM 838 C ASP A 55 6.478 4.450 -12.401 1.00 0.00 C ATOM 839 O ASP A 55 6.228 5.413 -13.126 1.00 0.00 O ATOM 840 CB ASP A 55 7.945 2.525 -13.036 1.00 0.00 C ATOM 841 CG ASP A 55 7.494 2.615 -14.481 1.00 0.00 C ATOM 842 OD1 ASP A 55 8.290 3.079 -15.324 1.00 0.00 O ATOM 843 OD2 ASP A 55 6.345 2.219 -14.769 1.00 0.00 O ATOM 0 H ASP A 55 8.733 2.831 -10.712 1.00 0.00 H new ATOM 0 HA ASP A 55 8.572 4.568 -12.818 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.964 2.139 -13.000 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.315 1.811 -12.505 1.00 0.00 H new ATOM 848 N TRP A 56 5.560 3.851 -11.651 1.00 0.00 N ATOM 849 CA TRP A 56 4.173 4.301 -11.637 1.00 0.00 C ATOM 850 C TRP A 56 4.095 5.823 -11.597 1.00 0.00 C ATOM 851 O TRP A 56 3.677 6.459 -12.566 1.00 0.00 O ATOM 852 CB TRP A 56 3.435 3.709 -10.435 1.00 0.00 C ATOM 853 CG TRP A 56 1.973 4.038 -10.414 1.00 0.00 C ATOM 854 CD1 TRP A 56 0.961 3.310 -10.969 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.361 5.182 -9.808 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.244 3.931 -10.746 1.00 0.00 N ATOM 857 CE2 TRP A 56 -0.026 5.082 -10.035 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.849 6.280 -9.095 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -0.926 6.038 -9.574 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.954 7.229 -8.638 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.421 7.103 -8.878 1.00 0.00 C ATOM 0 H TRP A 56 5.751 3.053 -11.045 1.00 0.00 H new ATOM 0 HA TRP A 56 3.696 3.955 -12.554 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.556 2.626 -10.441 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.896 4.076 -9.518 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.089 2.381 -11.505 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.153 3.591 -11.059 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.907 6.385 -8.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -1.986 5.943 -9.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.321 8.082 -8.087 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.095 7.861 -8.507 1.00 0.00 H new ATOM 872 N LEU A 57 4.499 6.403 -10.473 1.00 0.00 N ATOM 873 CA LEU A 57 4.476 7.852 -10.307 1.00 0.00 C ATOM 874 C LEU A 57 4.923 8.554 -11.586 1.00 0.00 C ATOM 875 O LEU A 57 4.297 9.516 -12.030 1.00 0.00 O ATOM 876 CB LEU A 57 5.376 8.267 -9.143 1.00 0.00 C ATOM 877 CG LEU A 57 5.095 7.588 -7.802 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.364 7.509 -6.967 1.00 0.00 C ATOM 879 CD2 LEU A 57 4.003 8.331 -7.046 1.00 0.00 C ATOM 0 H LEU A 57 4.847 5.892 -9.662 1.00 0.00 H new ATOM 0 HA LEU A 57 3.451 8.151 -10.089 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.411 8.065 -9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.287 9.345 -9.007 1.00 0.00 H new ATOM 0 HG LEU A 57 4.749 6.573 -7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.144 7.023 -6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.117 6.933 -7.504 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.741 8.515 -6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.816 7.834 -6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.321 9.357 -6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.088 8.335 -7.639 1.00 0.00 H new ATOM 891 N VAL A 58 6.009 8.063 -12.175 1.00 0.00 N ATOM 892 CA VAL A 58 6.538 8.640 -13.405 1.00 0.00 C ATOM 893 C VAL A 58 5.541 8.503 -14.550 1.00 0.00 C ATOM 894 O VAL A 58 5.059 9.499 -15.089 1.00 0.00 O ATOM 895 CB VAL A 58 7.866 7.974 -13.812 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.531 8.752 -14.937 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.793 7.858 -12.611 1.00 0.00 C ATOM 0 H VAL A 58 6.539 7.267 -11.820 1.00 0.00 H new ATOM 0 HA VAL A 58 6.716 9.697 -13.207 1.00 0.00 H new ATOM 0 HB VAL A 58 7.652 6.969 -14.176 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.468 8.267 -15.211 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.869 8.778 -15.802 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.734 9.770 -14.605 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.727 7.385 -12.916 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.002 8.852 -12.215 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.315 7.254 -11.840 1.00 0.00 H new ATOM 907 N SER A 59 5.236 7.262 -14.916 1.00 0.00 N ATOM 908 CA SER A 59 4.298 6.994 -16.000 1.00 0.00 C ATOM 909 C SER A 59 2.926 7.584 -15.690 1.00 0.00 C ATOM 910 O SER A 59 2.088 7.735 -16.578 1.00 0.00 O ATOM 911 CB SER A 59 4.177 5.488 -16.237 1.00 0.00 C ATOM 912 OG SER A 59 3.810 5.210 -17.577 1.00 0.00 O ATOM 0 H SER A 59 5.625 6.427 -14.478 1.00 0.00 H new ATOM 0 HA SER A 59 4.681 7.467 -16.904 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.126 5.003 -16.009 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.434 5.069 -15.559 1.00 0.00 H new ATOM 0 HG SER A 59 3.741 4.241 -17.703 1.00 0.00 H new ATOM 918 N ASN A 60 2.704 7.915 -14.422 1.00 0.00 N ATOM 919 CA ASN A 60 1.434 8.488 -13.992 1.00 0.00 C ATOM 920 C ASN A 60 1.470 10.011 -14.069 1.00 0.00 C ATOM 921 O ASN A 60 0.532 10.686 -13.645 1.00 0.00 O ATOM 922 CB ASN A 60 1.108 8.045 -12.564 1.00 0.00 C ATOM 923 CG ASN A 60 -0.380 7.850 -12.345 1.00 0.00 C ATOM 924 OD1 ASN A 60 -0.799 6.597 -12.213 1.00 0.00 O flip ATOM 925 ND2 ASN A 60 -1.143 8.815 -12.295 1.00 0.00 N flip ATOM 0 H ASN A 60 3.387 7.796 -13.674 1.00 0.00 H new ATOM 0 HA ASN A 60 0.655 8.127 -14.664 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.630 7.113 -12.348 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.481 8.790 -11.861 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.777 9.761 -12.402 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.142 8.669 -12.147 1.00 0.00 H new ATOM 932 N GLN A 61 2.560 10.545 -14.612 1.00 0.00 N ATOM 933 CA GLN A 61 2.718 11.989 -14.744 1.00 0.00 C ATOM 934 C GLN A 61 2.673 12.668 -13.379 1.00 0.00 C ATOM 935 O GLN A 61 2.099 13.747 -13.231 1.00 0.00 O ATOM 936 CB GLN A 61 1.626 12.562 -15.649 1.00 0.00 C ATOM 937 CG GLN A 61 1.565 11.906 -17.019 1.00 0.00 C ATOM 938 CD GLN A 61 2.570 12.491 -17.991 1.00 0.00 C ATOM 939 OE1 GLN A 61 3.751 12.630 -17.673 1.00 0.00 O ATOM 940 NE2 GLN A 61 2.105 12.838 -19.186 1.00 0.00 N ATOM 0 H GLN A 61 3.346 10.000 -14.967 1.00 0.00 H new ATOM 0 HA GLN A 61 3.691 12.184 -15.194 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.660 12.447 -15.157 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.794 13.632 -15.775 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.747 10.836 -16.914 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.561 12.020 -17.428 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.118 12.705 -19.408 1.00 0.00 H new ATOM 0 HE22 GLN A 61 2.735 13.237 -19.882 1.00 0.00 H new ATOM 949 N SER A 62 3.280 12.029 -12.385 1.00 0.00 N ATOM 950 CA SER A 62 3.305 12.569 -11.031 1.00 0.00 C ATOM 951 C SER A 62 4.679 13.147 -10.702 1.00 0.00 C ATOM 952 O SER A 62 4.792 14.132 -9.972 1.00 0.00 O ATOM 953 CB SER A 62 2.941 11.482 -10.018 1.00 0.00 C ATOM 954 OG SER A 62 1.582 11.102 -10.144 1.00 0.00 O ATOM 0 H SER A 62 3.761 11.136 -12.492 1.00 0.00 H new ATOM 0 HA SER A 62 2.569 13.371 -10.973 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.580 10.612 -10.168 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.128 11.845 -9.007 1.00 0.00 H new ATOM 0 HG SER A 62 1.375 10.405 -9.487 1.00 0.00 H new ATOM 960 N VAL A 63 5.721 12.526 -11.246 1.00 0.00 N ATOM 961 CA VAL A 63 7.087 12.977 -11.012 1.00 0.00 C ATOM 962 C VAL A 63 7.815 13.230 -12.328 1.00 0.00 C ATOM 963 O VAL A 63 7.315 12.890 -13.400 1.00 0.00 O ATOM 964 CB VAL A 63 7.884 11.950 -10.186 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.489 12.023 -8.719 1.00 0.00 C ATOM 966 CG2 VAL A 63 7.674 10.547 -10.735 1.00 0.00 C ATOM 0 H VAL A 63 5.645 11.709 -11.852 1.00 0.00 H new ATOM 0 HA VAL A 63 7.021 13.909 -10.451 1.00 0.00 H new ATOM 0 HB VAL A 63 8.944 12.190 -10.264 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.062 11.290 -8.151 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.696 13.022 -8.336 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.425 11.809 -8.618 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.244 9.834 -10.140 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.615 10.293 -10.689 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.012 10.507 -11.771 1.00 0.00 H new ATOM 976 N ARG A 64 8.999 13.827 -12.237 1.00 0.00 N ATOM 977 CA ARG A 64 9.796 14.126 -13.421 1.00 0.00 C ATOM 978 C ARG A 64 10.612 12.909 -13.848 1.00 0.00 C ATOM 979 O ARG A 64 10.802 12.664 -15.038 1.00 0.00 O ATOM 980 CB ARG A 64 10.728 15.308 -13.149 1.00 0.00 C ATOM 981 CG ARG A 64 10.004 16.557 -12.673 1.00 0.00 C ATOM 982 CD ARG A 64 10.970 17.711 -12.453 1.00 0.00 C ATOM 983 NE ARG A 64 10.301 19.007 -12.531 1.00 0.00 N ATOM 984 CZ ARG A 64 10.852 20.144 -12.121 1.00 0.00 C ATOM 985 NH1 ARG A 64 12.074 20.145 -11.607 1.00 0.00 N ATOM 986 NH2 ARG A 64 10.180 21.283 -12.225 1.00 0.00 N ATOM 0 H ARG A 64 9.427 14.113 -11.357 1.00 0.00 H new ATOM 0 HA ARG A 64 9.115 14.388 -14.231 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.462 15.016 -12.398 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.279 15.542 -14.060 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.252 16.845 -13.408 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.476 16.341 -11.744 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.444 17.606 -11.477 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.763 17.667 -13.199 1.00 0.00 H new ATOM 0 HE ARG A 64 9.359 19.041 -12.922 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.594 19.271 -11.526 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.494 21.020 -11.293 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.240 21.286 -12.620 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.604 22.156 -11.910 1.00 0.00 H new ATOM 1000 N ASN A 65 11.092 12.151 -12.867 1.00 0.00 N ATOM 1001 CA ASN A 65 11.888 10.960 -13.142 1.00 0.00 C ATOM 1002 C ASN A 65 11.856 9.999 -11.957 1.00 0.00 C ATOM 1003 O ASN A 65 11.204 10.265 -10.947 1.00 0.00 O ATOM 1004 CB ASN A 65 13.334 11.350 -13.457 1.00 0.00 C ATOM 1005 CG ASN A 65 14.177 11.504 -12.207 1.00 0.00 C ATOM 1006 OD1 ASN A 65 15.103 10.728 -11.969 1.00 0.00 O ATOM 1007 ND2 ASN A 65 13.860 12.509 -11.400 1.00 0.00 N ATOM 0 H ASN A 65 10.944 12.340 -11.876 1.00 0.00 H new ATOM 0 HA ASN A 65 11.457 10.457 -14.007 1.00 0.00 H new ATOM 0 HB2 ASN A 65 13.780 10.592 -14.101 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.341 12.287 -14.015 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.392 12.662 -10.543 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.085 13.128 -11.637 1.00 0.00 H new ATOM 1014 N ARG A 66 12.565 8.883 -12.088 1.00 0.00 N ATOM 1015 CA ARG A 66 12.617 7.882 -11.029 1.00 0.00 C ATOM 1016 C ARG A 66 13.006 8.519 -9.698 1.00 0.00 C ATOM 1017 O ARG A 66 12.254 8.455 -8.726 1.00 0.00 O ATOM 1018 CB ARG A 66 13.615 6.779 -11.389 1.00 0.00 C ATOM 1019 CG ARG A 66 13.021 5.681 -12.256 1.00 0.00 C ATOM 1020 CD ARG A 66 13.031 6.066 -13.727 1.00 0.00 C ATOM 1021 NE ARG A 66 12.137 5.225 -14.519 1.00 0.00 N ATOM 1022 CZ ARG A 66 12.147 5.187 -15.847 1.00 0.00 C ATOM 1023 NH1 ARG A 66 13.001 5.939 -16.528 1.00 0.00 N ATOM 1024 NH2 ARG A 66 11.303 4.396 -16.496 1.00 0.00 N ATOM 0 H ARG A 66 13.111 8.649 -12.917 1.00 0.00 H new ATOM 0 HA ARG A 66 11.624 7.445 -10.927 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.463 7.224 -11.910 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.002 6.337 -10.471 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.586 4.760 -12.116 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.998 5.479 -11.939 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.733 7.109 -13.831 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.046 5.984 -14.116 1.00 0.00 H new ATOM 0 HE ARG A 66 11.468 4.634 -14.025 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.652 6.548 -16.032 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.007 5.908 -17.548 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.645 3.816 -15.976 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.312 4.368 -17.516 1.00 0.00 H new ATOM 1038 N GLN A 67 14.185 9.133 -9.663 1.00 0.00 N ATOM 1039 CA GLN A 67 14.673 9.780 -8.451 1.00 0.00 C ATOM 1040 C GLN A 67 13.563 10.580 -7.777 1.00 0.00 C ATOM 1041 O GLN A 67 13.348 10.466 -6.571 1.00 0.00 O ATOM 1042 CB GLN A 67 15.853 10.696 -8.777 1.00 0.00 C ATOM 1043 CG GLN A 67 17.204 10.003 -8.689 1.00 0.00 C ATOM 1044 CD GLN A 67 17.369 8.914 -9.731 1.00 0.00 C ATOM 1045 OE1 GLN A 67 17.825 7.744 -9.298 1.00 0.00 O flip ATOM 1046 NE2 GLN A 67 17.090 9.121 -10.912 1.00 0.00 N flip ATOM 0 H GLN A 67 14.819 9.196 -10.460 1.00 0.00 H new ATOM 0 HA GLN A 67 15.005 9.003 -7.762 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.724 11.097 -9.783 1.00 0.00 H new ATOM 0 HB3 GLN A 67 15.844 11.544 -8.092 1.00 0.00 H new ATOM 0 HG2 GLN A 67 17.996 10.742 -8.812 1.00 0.00 H new ATOM 0 HG3 GLN A 67 17.323 9.571 -7.695 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.742 10.035 -11.201 1.00 0.00 H new ATOM 0 HE22 GLN A 67 17.206 8.378 -11.601 1.00 0.00 H new ATOM 1055 N GLU A 68 12.863 11.391 -8.564 1.00 0.00 N ATOM 1056 CA GLU A 68 11.776 12.211 -8.041 1.00 0.00 C ATOM 1057 C GLU A 68 10.768 11.357 -7.278 1.00 0.00 C ATOM 1058 O GLU A 68 10.232 11.777 -6.253 1.00 0.00 O ATOM 1059 CB GLU A 68 11.074 12.952 -9.181 1.00 0.00 C ATOM 1060 CG GLU A 68 11.756 14.252 -9.574 1.00 0.00 C ATOM 1061 CD GLU A 68 12.029 15.150 -8.383 1.00 0.00 C ATOM 1062 OE1 GLU A 68 11.056 15.682 -7.807 1.00 0.00 O ATOM 1063 OE2 GLU A 68 13.213 15.322 -8.028 1.00 0.00 O ATOM 0 H GLU A 68 13.029 11.498 -9.565 1.00 0.00 H new ATOM 0 HA GLU A 68 12.203 12.939 -7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.026 12.299 -10.052 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.047 13.165 -8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.696 14.027 -10.078 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.130 14.784 -10.290 1.00 0.00 H new ATOM 1070 N GLY A 69 10.515 10.154 -7.786 1.00 0.00 N ATOM 1071 CA GLY A 69 9.572 9.260 -7.141 1.00 0.00 C ATOM 1072 C GLY A 69 10.123 8.660 -5.862 1.00 0.00 C ATOM 1073 O GLY A 69 9.375 8.116 -5.049 1.00 0.00 O ATOM 0 H GLY A 69 10.947 9.783 -8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.655 9.805 -6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.307 8.458 -7.830 1.00 0.00 H new ATOM 1077 N LEU A 70 11.436 8.758 -5.683 1.00 0.00 N ATOM 1078 CA LEU A 70 12.088 8.220 -4.494 1.00 0.00 C ATOM 1079 C LEU A 70 11.514 8.846 -3.227 1.00 0.00 C ATOM 1080 O LEU A 70 11.197 8.146 -2.266 1.00 0.00 O ATOM 1081 CB LEU A 70 13.596 8.465 -4.560 1.00 0.00 C ATOM 1082 CG LEU A 70 14.481 7.382 -3.941 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.883 6.889 -2.632 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.668 6.226 -4.913 1.00 0.00 C ATOM 0 H LEU A 70 12.070 9.205 -6.346 1.00 0.00 H new ATOM 0 HA LEU A 70 11.902 7.146 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.879 8.583 -5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.812 9.411 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 70 15.459 7.815 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.526 6.119 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.801 7.721 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.893 6.473 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.300 5.465 -4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.697 5.794 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.141 6.590 -5.825 1.00 0.00 H new ATOM 1096 N MET A 71 11.383 10.169 -3.235 1.00 0.00 N ATOM 1097 CA MET A 71 10.844 10.889 -2.087 1.00 0.00 C ATOM 1098 C MET A 71 9.377 10.535 -1.862 1.00 0.00 C ATOM 1099 O MET A 71 8.999 10.075 -0.785 1.00 0.00 O ATOM 1100 CB MET A 71 10.991 12.398 -2.290 1.00 0.00 C ATOM 1101 CG MET A 71 12.349 12.809 -2.836 1.00 0.00 C ATOM 1102 SD MET A 71 13.717 12.124 -1.882 1.00 0.00 S ATOM 1103 CE MET A 71 14.900 11.784 -3.182 1.00 0.00 C ATOM 0 H MET A 71 11.642 10.763 -4.022 1.00 0.00 H new ATOM 0 HA MET A 71 11.410 10.591 -1.205 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.215 12.742 -2.974 1.00 0.00 H new ATOM 0 HB3 MET A 71 10.824 12.902 -1.338 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.434 12.482 -3.872 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.421 13.897 -2.838 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.458 10.879 -2.939 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.373 11.643 -4.126 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.591 12.622 -3.274 1.00 0.00 H new ATOM 1113 N ILE A 72 8.558 10.752 -2.885 1.00 0.00 N ATOM 1114 CA ILE A 72 7.133 10.454 -2.798 1.00 0.00 C ATOM 1115 C ILE A 72 6.899 9.014 -2.355 1.00 0.00 C ATOM 1116 O ILE A 72 6.069 8.749 -1.486 1.00 0.00 O ATOM 1117 CB ILE A 72 6.427 10.686 -4.147 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.668 12.116 -4.635 1.00 0.00 C ATOM 1119 CG2 ILE A 72 4.936 10.409 -4.018 1.00 0.00 C ATOM 1120 CD1 ILE A 72 6.136 13.173 -3.694 1.00 0.00 C ATOM 0 H ILE A 72 8.856 11.133 -3.783 1.00 0.00 H new ATOM 0 HA ILE A 72 6.713 11.132 -2.056 1.00 0.00 H new ATOM 0 HB ILE A 72 6.843 9.997 -4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.738 12.269 -4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.200 12.242 -5.611 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.450 10.577 -4.979 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.783 9.375 -3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.505 11.077 -3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.342 14.162 -4.104 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.060 13.046 -3.576 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.622 13.074 -2.723 1.00 0.00 H new ATOM 1132 N ALA A 73 7.637 8.088 -2.957 1.00 0.00 N ATOM 1133 CA ALA A 73 7.512 6.675 -2.622 1.00 0.00 C ATOM 1134 C ALA A 73 7.988 6.404 -1.198 1.00 0.00 C ATOM 1135 O ALA A 73 7.326 5.700 -0.436 1.00 0.00 O ATOM 1136 CB ALA A 73 8.296 5.826 -3.612 1.00 0.00 C ATOM 0 H ALA A 73 8.328 8.291 -3.679 1.00 0.00 H new ATOM 0 HA ALA A 73 6.458 6.405 -2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.194 4.773 -3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.908 5.989 -4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.349 6.107 -3.579 1.00 0.00 H new ATOM 1142 N SER A 74 9.139 6.968 -0.847 1.00 0.00 N ATOM 1143 CA SER A 74 9.705 6.784 0.484 1.00 0.00 C ATOM 1144 C SER A 74 8.759 7.316 1.556 1.00 0.00 C ATOM 1145 O SER A 74 8.580 6.697 2.605 1.00 0.00 O ATOM 1146 CB SER A 74 11.059 7.489 0.588 1.00 0.00 C ATOM 1147 OG SER A 74 10.926 8.883 0.367 1.00 0.00 O ATOM 0 H SER A 74 9.698 7.556 -1.466 1.00 0.00 H new ATOM 0 HA SER A 74 9.846 5.715 0.646 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.489 7.313 1.574 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.750 7.066 -0.141 1.00 0.00 H new ATOM 0 HG SER A 74 10.142 9.052 -0.197 1.00 0.00 H new ATOM 1153 N SER A 75 8.155 8.468 1.284 1.00 0.00 N ATOM 1154 CA SER A 75 7.229 9.087 2.225 1.00 0.00 C ATOM 1155 C SER A 75 6.030 8.180 2.484 1.00 0.00 C ATOM 1156 O SER A 75 5.624 7.979 3.630 1.00 0.00 O ATOM 1157 CB SER A 75 6.754 10.440 1.692 1.00 0.00 C ATOM 1158 OG SER A 75 6.658 10.425 0.278 1.00 0.00 O ATOM 0 H SER A 75 8.290 8.992 0.419 1.00 0.00 H new ATOM 0 HA SER A 75 7.756 9.241 3.167 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.783 10.684 2.123 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.447 11.221 2.005 1.00 0.00 H new ATOM 0 HG SER A 75 6.296 9.563 -0.016 1.00 0.00 H new ATOM 1164 N LEU A 76 5.467 7.634 1.412 1.00 0.00 N ATOM 1165 CA LEU A 76 4.314 6.748 1.521 1.00 0.00 C ATOM 1166 C LEU A 76 4.543 5.685 2.590 1.00 0.00 C ATOM 1167 O LEU A 76 3.624 5.317 3.323 1.00 0.00 O ATOM 1168 CB LEU A 76 4.030 6.080 0.174 1.00 0.00 C ATOM 1169 CG LEU A 76 3.280 6.929 -0.852 1.00 0.00 C ATOM 1170 CD1 LEU A 76 3.358 6.294 -2.231 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.829 7.117 -0.431 1.00 0.00 C ATOM 0 H LEU A 76 5.790 7.789 0.457 1.00 0.00 H new ATOM 0 HA LEU A 76 3.452 7.349 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.980 5.772 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.454 5.173 0.356 1.00 0.00 H new ATOM 0 HG LEU A 76 3.754 7.909 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.818 6.913 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.401 6.212 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.910 5.301 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.311 7.724 -1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.343 6.144 -0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.793 7.618 0.536 1.00 0.00 H new ATOM 1183 N LEU A 77 5.775 5.196 2.676 1.00 0.00 N ATOM 1184 CA LEU A 77 6.127 4.176 3.658 1.00 0.00 C ATOM 1185 C LEU A 77 6.267 4.785 5.050 1.00 0.00 C ATOM 1186 O LEU A 77 5.967 4.140 6.053 1.00 0.00 O ATOM 1187 CB LEU A 77 7.431 3.484 3.259 1.00 0.00 C ATOM 1188 CG LEU A 77 7.291 2.254 2.361 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.654 1.796 1.866 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.586 1.129 3.105 1.00 0.00 C ATOM 0 H LEU A 77 6.547 5.489 2.078 1.00 0.00 H new ATOM 0 HA LEU A 77 5.324 3.439 3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.063 4.211 2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.955 3.188 4.168 1.00 0.00 H new ATOM 0 HG LEU A 77 6.686 2.526 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.534 0.920 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.122 2.598 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.284 1.541 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.495 0.262 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.164 0.858 3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.593 1.460 3.409 1.00 0.00 H new ATOM 1202 N ASN A 78 6.722 6.033 5.101 1.00 0.00 N ATOM 1203 CA ASN A 78 6.899 6.731 6.369 1.00 0.00 C ATOM 1204 C ASN A 78 5.553 7.004 7.033 1.00 0.00 C ATOM 1205 O ASN A 78 5.443 7.004 8.259 1.00 0.00 O ATOM 1206 CB ASN A 78 7.649 8.046 6.151 1.00 0.00 C ATOM 1207 CG ASN A 78 9.154 7.874 6.233 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.648 6.867 6.740 1.00 0.00 O ATOM 1209 ND2 ASN A 78 9.890 8.861 5.734 1.00 0.00 N ATOM 0 H ASN A 78 6.975 6.581 4.279 1.00 0.00 H new ATOM 0 HA ASN A 78 7.486 6.091 7.028 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.385 8.454 5.175 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.328 8.772 6.898 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.908 8.802 5.762 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.437 9.677 5.323 1.00 0.00 H new ATOM 1216 N GLU A 79 4.532 7.235 6.214 1.00 0.00 N ATOM 1217 CA GLU A 79 3.193 7.509 6.722 1.00 0.00 C ATOM 1218 C GLU A 79 2.437 6.212 6.995 1.00 0.00 C ATOM 1219 O GLU A 79 1.649 6.125 7.935 1.00 0.00 O ATOM 1220 CB GLU A 79 2.411 8.368 5.726 1.00 0.00 C ATOM 1221 CG GLU A 79 2.934 9.789 5.605 1.00 0.00 C ATOM 1222 CD GLU A 79 2.592 10.641 6.812 1.00 0.00 C ATOM 1223 OE1 GLU A 79 1.393 10.921 7.019 1.00 0.00 O ATOM 1224 OE2 GLU A 79 3.523 11.028 7.549 1.00 0.00 O ATOM 0 H GLU A 79 4.606 7.238 5.197 1.00 0.00 H new ATOM 0 HA GLU A 79 3.294 8.054 7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.444 7.893 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.365 8.400 6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.016 9.764 5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.518 10.250 4.709 1.00 0.00 H new ATOM 1231 N GLY A 80 2.685 5.204 6.163 1.00 0.00 N ATOM 1232 CA GLY A 80 2.020 3.925 6.330 1.00 0.00 C ATOM 1233 C GLY A 80 1.326 3.463 5.065 1.00 0.00 C ATOM 1234 O GLY A 80 1.069 2.271 4.889 1.00 0.00 O ATOM 0 H GLY A 80 3.334 5.251 5.377 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.751 3.176 6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.289 4.002 7.135 1.00 0.00 H new ATOM 1238 N TYR A 81 1.020 4.406 4.182 1.00 0.00 N ATOM 1239 CA TYR A 81 0.347 4.090 2.927 1.00 0.00 C ATOM 1240 C TYR A 81 0.909 2.811 2.315 1.00 0.00 C ATOM 1241 O TYR A 81 0.167 1.987 1.778 1.00 0.00 O ATOM 1242 CB TYR A 81 0.493 5.249 1.940 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.264 6.493 2.349 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.648 6.481 2.463 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.406 7.679 2.621 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.344 7.615 2.836 1.00 0.00 C ATOM 1247 CE2 TYR A 81 -0.281 8.817 2.996 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.656 8.780 3.102 1.00 0.00 C ATOM 1249 OH TYR A 81 -2.344 9.912 3.475 1.00 0.00 O ATOM 0 H TYR A 81 1.227 5.396 4.311 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.711 3.935 3.140 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.550 5.495 1.835 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.142 4.926 0.960 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.190 5.570 2.257 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.482 7.712 2.538 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.421 7.589 2.919 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.255 9.731 3.205 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.711 10.645 3.626 1.00 0.00 H new ATOM 1259 N LEU A 82 2.225 2.652 2.398 1.00 0.00 N ATOM 1260 CA LEU A 82 2.890 1.473 1.854 1.00 0.00 C ATOM 1261 C LEU A 82 3.420 0.581 2.972 1.00 0.00 C ATOM 1262 O LEU A 82 3.740 1.059 4.060 1.00 0.00 O ATOM 1263 CB LEU A 82 4.037 1.891 0.932 1.00 0.00 C ATOM 1264 CG LEU A 82 3.633 2.420 -0.445 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.846 2.964 -1.184 1.00 0.00 C ATOM 1266 CD2 LEU A 82 2.956 1.327 -1.259 1.00 0.00 C ATOM 0 H LEU A 82 2.853 3.325 2.837 1.00 0.00 H new ATOM 0 HA LEU A 82 2.158 0.906 1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.621 2.660 1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.694 1.033 0.791 1.00 0.00 H new ATOM 0 HG LEU A 82 2.922 3.234 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.540 3.336 -2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.288 3.777 -0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.581 2.169 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.675 1.722 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.644 0.491 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.063 0.984 -0.736 1.00 0.00 H new ATOM 1278 N GLN A 83 3.511 -0.715 2.694 1.00 0.00 N ATOM 1279 CA GLN A 83 4.004 -1.674 3.677 1.00 0.00 C ATOM 1280 C GLN A 83 5.109 -2.541 3.084 1.00 0.00 C ATOM 1281 O GLN A 83 4.990 -3.072 1.980 1.00 0.00 O ATOM 1282 CB GLN A 83 2.859 -2.557 4.178 1.00 0.00 C ATOM 1283 CG GLN A 83 1.771 -1.787 4.908 1.00 0.00 C ATOM 1284 CD GLN A 83 2.262 -1.171 6.204 1.00 0.00 C ATOM 1285 OE1 GLN A 83 3.114 -1.737 6.890 1.00 0.00 O ATOM 1286 NE2 GLN A 83 1.726 -0.006 6.546 1.00 0.00 N ATOM 0 H GLN A 83 3.250 -1.126 1.797 1.00 0.00 H new ATOM 0 HA GLN A 83 4.417 -1.116 4.517 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.416 -3.079 3.330 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.264 -3.318 4.845 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.389 -1.000 4.258 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.938 -2.457 5.121 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.023 0.427 5.947 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.017 0.456 7.407 1.00 0.00 H new ATOM 1295 N PRO A 84 6.212 -2.689 3.834 1.00 0.00 N ATOM 1296 CA PRO A 84 7.360 -3.491 3.402 1.00 0.00 C ATOM 1297 C PRO A 84 7.052 -4.984 3.388 1.00 0.00 C ATOM 1298 O PRO A 84 6.376 -5.496 4.280 1.00 0.00 O ATOM 1299 CB PRO A 84 8.428 -3.176 4.453 1.00 0.00 C ATOM 1300 CG PRO A 84 7.660 -2.773 5.664 1.00 0.00 C ATOM 1301 CD PRO A 84 6.422 -2.084 5.160 1.00 0.00 C ATOM 0 HA PRO A 84 7.662 -3.253 2.382 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.055 -4.045 4.653 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.089 -2.376 4.119 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.404 -3.642 6.270 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.248 -2.106 6.295 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.571 -2.254 5.819 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.562 -1.005 5.092 1.00 0.00 H new ATOM 1309 N ALA A 85 7.551 -5.677 2.370 1.00 0.00 N ATOM 1310 CA ALA A 85 7.331 -7.112 2.242 1.00 0.00 C ATOM 1311 C ALA A 85 8.649 -7.856 2.053 1.00 0.00 C ATOM 1312 O ALA A 85 9.113 -8.041 0.929 1.00 0.00 O ATOM 1313 CB ALA A 85 6.390 -7.400 1.081 1.00 0.00 C ATOM 0 H ALA A 85 8.110 -5.268 1.622 1.00 0.00 H new ATOM 0 HA ALA A 85 6.873 -7.467 3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.234 -8.476 0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.434 -6.908 1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.827 -7.023 0.156 1.00 0.00 H new ATOM 1319 N GLY A 86 9.247 -8.280 3.162 1.00 0.00 N ATOM 1320 CA GLY A 86 10.507 -8.998 3.097 1.00 0.00 C ATOM 1321 C GLY A 86 11.579 -8.367 3.964 1.00 0.00 C ATOM 1322 O GLY A 86 11.585 -7.154 4.171 1.00 0.00 O ATOM 0 H GLY A 86 8.882 -8.139 4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.350 -10.030 3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.851 -9.029 2.063 1.00 0.00 H new ATOM 1326 N ASP A 87 12.487 -9.193 4.473 1.00 0.00 N ATOM 1327 CA ASP A 87 13.569 -8.709 5.323 1.00 0.00 C ATOM 1328 C ASP A 87 14.291 -7.535 4.668 1.00 0.00 C ATOM 1329 O ASP A 87 14.706 -6.595 5.345 1.00 0.00 O ATOM 1330 CB ASP A 87 14.561 -9.836 5.613 1.00 0.00 C ATOM 1331 CG ASP A 87 15.643 -9.418 6.589 1.00 0.00 C ATOM 1332 OD1 ASP A 87 16.588 -8.722 6.163 1.00 0.00 O ATOM 1333 OD2 ASP A 87 15.545 -9.787 7.778 1.00 0.00 O ATOM 0 H ASP A 87 12.495 -10.200 4.312 1.00 0.00 H new ATOM 0 HA ASP A 87 13.135 -8.367 6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.024 -10.694 6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.023 -10.159 4.680 1.00 0.00 H new ATOM 1338 N MET A 88 14.437 -7.598 3.349 1.00 0.00 N ATOM 1339 CA MET A 88 15.109 -6.540 2.604 1.00 0.00 C ATOM 1340 C MET A 88 14.637 -5.165 3.066 1.00 0.00 C ATOM 1341 O MET A 88 15.395 -4.410 3.673 1.00 0.00 O ATOM 1342 CB MET A 88 14.854 -6.703 1.104 1.00 0.00 C ATOM 1343 CG MET A 88 15.809 -5.901 0.235 1.00 0.00 C ATOM 1344 SD MET A 88 15.622 -6.265 -1.521 1.00 0.00 S ATOM 1345 CE MET A 88 16.308 -4.779 -2.250 1.00 0.00 C ATOM 0 H MET A 88 14.099 -8.370 2.774 1.00 0.00 H new ATOM 0 HA MET A 88 16.179 -6.619 2.794 1.00 0.00 H new ATOM 0 HB2 MET A 88 14.936 -7.758 0.842 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.831 -6.398 0.882 1.00 0.00 H new ATOM 0 HG2 MET A 88 15.639 -4.837 0.402 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.834 -6.112 0.539 1.00 0.00 H new ATOM 0 HE1 MET A 88 15.518 -4.224 -2.756 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.744 -4.158 -1.468 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.080 -5.050 -2.970 1.00 0.00 H new ATOM 1355 N SER A 89 13.379 -4.848 2.774 1.00 0.00 N ATOM 1356 CA SER A 89 12.808 -3.562 3.156 1.00 0.00 C ATOM 1357 C SER A 89 12.604 -3.485 4.666 1.00 0.00 C ATOM 1358 O SER A 89 12.952 -2.490 5.302 1.00 0.00 O ATOM 1359 CB SER A 89 11.475 -3.339 2.439 1.00 0.00 C ATOM 1360 OG SER A 89 10.545 -4.358 2.761 1.00 0.00 O ATOM 0 H SER A 89 12.737 -5.464 2.275 1.00 0.00 H new ATOM 0 HA SER A 89 13.507 -2.780 2.861 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.066 -2.368 2.719 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.637 -3.318 1.361 1.00 0.00 H new ATOM 0 HG SER A 89 9.701 -4.191 2.291 1.00 0.00 H new ATOM 1366 N LYS A 90 12.038 -4.544 5.235 1.00 0.00 N ATOM 1367 CA LYS A 90 11.788 -4.600 6.670 1.00 0.00 C ATOM 1368 C LYS A 90 12.992 -4.085 7.453 1.00 0.00 C ATOM 1369 O LYS A 90 12.862 -3.656 8.599 1.00 0.00 O ATOM 1370 CB LYS A 90 11.465 -6.033 7.097 1.00 0.00 C ATOM 1371 CG LYS A 90 9.989 -6.379 6.999 1.00 0.00 C ATOM 1372 CD LYS A 90 9.745 -7.859 7.244 1.00 0.00 C ATOM 1373 CE LYS A 90 8.260 -8.190 7.225 1.00 0.00 C ATOM 1374 NZ LYS A 90 7.630 -7.986 8.559 1.00 0.00 N ATOM 0 H LYS A 90 11.744 -5.376 4.723 1.00 0.00 H new ATOM 0 HA LYS A 90 10.933 -3.960 6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.034 -6.725 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.797 -6.180 8.125 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.428 -5.792 7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.615 -6.106 6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.259 -8.445 6.482 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.170 -8.145 8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.758 -7.565 6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.122 -9.225 6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.619 -8.222 8.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.092 -8.601 9.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.739 -6.992 8.846 1.00 0.00 H new ATOM 1388 N SER A 91 14.163 -4.128 6.825 1.00 0.00 N ATOM 1389 CA SER A 91 15.390 -3.668 7.464 1.00 0.00 C ATOM 1390 C SER A 91 15.652 -2.200 7.143 1.00 0.00 C ATOM 1391 O SER A 91 16.169 -1.454 7.975 1.00 0.00 O ATOM 1392 CB SER A 91 16.577 -4.520 7.010 1.00 0.00 C ATOM 1393 OG SER A 91 17.762 -4.148 7.691 1.00 0.00 O ATOM 0 H SER A 91 14.287 -4.477 5.875 1.00 0.00 H new ATOM 0 HA SER A 91 15.269 -3.771 8.542 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.364 -5.573 7.193 1.00 0.00 H new ATOM 0 HB3 SER A 91 16.720 -4.406 5.935 1.00 0.00 H new ATOM 0 HG SER A 91 18.505 -4.708 7.384 1.00 0.00 H new ATOM 1399 N ALA A 92 15.290 -1.792 5.931 1.00 0.00 N ATOM 1400 CA ALA A 92 15.483 -0.413 5.501 1.00 0.00 C ATOM 1401 C ALA A 92 14.492 0.521 6.188 1.00 0.00 C ATOM 1402 O ALA A 92 14.866 1.588 6.677 1.00 0.00 O ATOM 1403 CB ALA A 92 15.347 -0.308 3.989 1.00 0.00 C ATOM 0 H ALA A 92 14.862 -2.397 5.230 1.00 0.00 H new ATOM 0 HA ALA A 92 16.489 -0.107 5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.493 0.727 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.098 -0.938 3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.352 -0.638 3.689 1.00 0.00 H new ATOM 1409 N VAL A 93 13.227 0.114 6.222 1.00 0.00 N ATOM 1410 CA VAL A 93 12.183 0.914 6.851 1.00 0.00 C ATOM 1411 C VAL A 93 12.518 1.207 8.309 1.00 0.00 C ATOM 1412 O VAL A 93 12.036 2.184 8.883 1.00 0.00 O ATOM 1413 CB VAL A 93 10.816 0.208 6.781 1.00 0.00 C ATOM 1414 CG1 VAL A 93 10.353 0.080 5.338 1.00 0.00 C ATOM 1415 CG2 VAL A 93 10.888 -1.158 7.449 1.00 0.00 C ATOM 0 H VAL A 93 12.900 -0.765 5.821 1.00 0.00 H new ATOM 0 HA VAL A 93 12.127 1.852 6.299 1.00 0.00 H new ATOM 0 HB VAL A 93 10.086 0.813 7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.386 -0.421 5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.261 1.072 4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.080 -0.503 4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.914 -1.643 7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.631 -1.773 6.941 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.171 -1.037 8.495 1.00 0.00 H new ATOM 1425 N ASP A 94 13.347 0.356 8.902 1.00 0.00 N ATOM 1426 CA ASP A 94 13.749 0.524 10.294 1.00 0.00 C ATOM 1427 C ASP A 94 15.045 1.323 10.393 1.00 0.00 C ATOM 1428 O ASP A 94 15.198 2.170 11.272 1.00 0.00 O ATOM 1429 CB ASP A 94 13.923 -0.839 10.965 1.00 0.00 C ATOM 1430 CG ASP A 94 13.696 -0.780 12.463 1.00 0.00 C ATOM 1431 OD1 ASP A 94 14.597 -0.298 13.181 1.00 0.00 O ATOM 1432 OD2 ASP A 94 12.618 -1.217 12.918 1.00 0.00 O ATOM 0 H ASP A 94 13.754 -0.458 8.441 1.00 0.00 H new ATOM 0 HA ASP A 94 12.963 1.076 10.809 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.226 -1.550 10.523 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.928 -1.213 10.767 1.00 0.00 H new ATOM 1483 N ASN A 99 15.510 7.835 3.957 1.00 0.00 N ATOM 1484 CA ASN A 99 14.572 7.252 3.005 1.00 0.00 C ATOM 1485 C ASN A 99 14.484 5.739 3.184 1.00 0.00 C ATOM 1486 O ASN A 99 15.394 4.993 2.824 1.00 0.00 O ATOM 1487 CB ASN A 99 14.997 7.583 1.572 1.00 0.00 C ATOM 1488 CG ASN A 99 15.705 8.921 1.474 1.00 0.00 C ATOM 1489 OD1 ASN A 99 16.923 8.980 1.307 1.00 0.00 O ATOM 1490 ND2 ASN A 99 14.942 10.003 1.577 1.00 0.00 N ATOM 0 HA ASN A 99 13.588 7.680 3.194 1.00 0.00 H new ATOM 0 HB2 ASN A 99 15.656 6.798 1.201 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.118 7.592 0.928 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.362 10.931 1.518 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.936 9.906 1.715 1.00 0.00 H new ATOM 1497 N PRO A 100 13.362 5.276 3.753 1.00 0.00 N ATOM 1498 CA PRO A 100 13.127 3.849 3.992 1.00 0.00 C ATOM 1499 C PRO A 100 12.907 3.072 2.698 1.00 0.00 C ATOM 1500 O PRO A 100 12.761 1.850 2.713 1.00 0.00 O ATOM 1501 CB PRO A 100 11.856 3.836 4.845 1.00 0.00 C ATOM 1502 CG PRO A 100 11.155 5.104 4.499 1.00 0.00 C ATOM 1503 CD PRO A 100 12.236 6.109 4.207 1.00 0.00 C ATOM 0 HA PRO A 100 13.982 3.370 4.469 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.237 2.967 4.620 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.093 3.792 5.908 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.505 4.967 3.634 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.524 5.438 5.322 1.00 0.00 H new ATOM 0 HD2 PRO A 100 11.927 6.820 3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 100 12.496 6.688 5.093 1.00 0.00 H new ATOM 1511 N PHE A 101 12.887 3.790 1.580 1.00 0.00 N ATOM 1512 CA PHE A 101 12.685 3.168 0.276 1.00 0.00 C ATOM 1513 C PHE A 101 14.002 2.642 -0.285 1.00 0.00 C ATOM 1514 O PHE A 101 15.080 3.105 0.090 1.00 0.00 O ATOM 1515 CB PHE A 101 12.065 4.170 -0.700 1.00 0.00 C ATOM 1516 CG PHE A 101 11.154 3.536 -1.712 1.00 0.00 C ATOM 1517 CD1 PHE A 101 9.932 3.008 -1.329 1.00 0.00 C ATOM 1518 CD2 PHE A 101 11.521 3.467 -3.047 1.00 0.00 C ATOM 1519 CE1 PHE A 101 9.091 2.424 -2.258 1.00 0.00 C ATOM 1520 CE2 PHE A 101 10.684 2.885 -3.980 1.00 0.00 C ATOM 1521 CZ PHE A 101 9.469 2.362 -3.585 1.00 0.00 C ATOM 0 H PHE A 101 13.008 4.802 1.550 1.00 0.00 H new ATOM 0 HA PHE A 101 12.003 2.327 0.404 1.00 0.00 H new ATOM 0 HB2 PHE A 101 11.505 4.916 -0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.863 4.698 -1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 101 9.633 3.053 -0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.471 3.872 -3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.140 2.017 -1.947 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.980 2.839 -5.018 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.815 1.905 -4.313 1.00 0.00 H new ATOM 1531 N LEU A 102 13.908 1.671 -1.187 1.00 0.00 N ATOM 1532 CA LEU A 102 15.092 1.080 -1.801 1.00 0.00 C ATOM 1533 C LEU A 102 14.994 1.121 -3.323 1.00 0.00 C ATOM 1534 O LEU A 102 15.901 0.675 -4.026 1.00 0.00 O ATOM 1535 CB LEU A 102 15.269 -0.364 -1.329 1.00 0.00 C ATOM 1536 CG LEU A 102 15.294 -0.577 0.185 1.00 0.00 C ATOM 1537 CD1 LEU A 102 15.222 -2.059 0.517 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.543 0.047 0.790 1.00 0.00 C ATOM 0 H LEU A 102 13.024 1.276 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 102 15.960 1.665 -1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.460 -0.963 -1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 102 16.200 -0.750 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 102 14.421 -0.087 0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.241 -2.191 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 102 14.298 -2.477 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.075 -2.573 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.544 -0.114 1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 102 17.429 -0.414 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.552 1.117 0.583 1.00 0.00 H new ATOM 1550 N ASP A 103 13.889 1.661 -3.825 1.00 0.00 N ATOM 1551 CA ASP A 103 13.673 1.764 -5.264 1.00 0.00 C ATOM 1552 C ASP A 103 14.320 0.592 -5.995 1.00 0.00 C ATOM 1553 O ASP A 103 15.016 0.778 -6.992 1.00 0.00 O ATOM 1554 CB ASP A 103 14.236 3.084 -5.792 1.00 0.00 C ATOM 1555 CG ASP A 103 14.180 3.173 -7.304 1.00 0.00 C ATOM 1556 OD1 ASP A 103 13.471 2.351 -7.922 1.00 0.00 O ATOM 1557 OD2 ASP A 103 14.845 4.066 -7.871 1.00 0.00 O ATOM 0 H ASP A 103 13.129 2.034 -3.257 1.00 0.00 H new ATOM 0 HA ASP A 103 12.599 1.736 -5.449 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.675 3.913 -5.361 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.269 3.193 -5.462 1.00 0.00 H new ATOM 1562 N ASN A 104 14.087 -0.616 -5.491 1.00 0.00 N ATOM 1563 CA ASN A 104 14.648 -1.818 -6.096 1.00 0.00 C ATOM 1564 C ASN A 104 13.549 -2.821 -6.435 1.00 0.00 C ATOM 1565 O ASN A 104 12.524 -2.909 -5.758 1.00 0.00 O ATOM 1566 CB ASN A 104 15.666 -2.461 -5.152 1.00 0.00 C ATOM 1567 CG ASN A 104 17.075 -1.950 -5.386 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.300 -1.084 -6.231 1.00 0.00 O ATOM 1569 ND2 ASN A 104 18.031 -2.486 -4.635 1.00 0.00 N ATOM 0 H ASN A 104 13.514 -0.788 -4.665 1.00 0.00 H new ATOM 0 HA ASN A 104 15.149 -1.529 -7.020 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.377 -2.262 -4.120 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.648 -3.543 -5.285 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.998 -2.182 -4.747 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.798 -3.202 -3.947 1.00 0.00 H new ATOM 1576 N PRO A 105 13.766 -3.595 -7.508 1.00 0.00 N ATOM 1577 CA PRO A 105 12.806 -4.606 -7.962 1.00 0.00 C ATOM 1578 C PRO A 105 12.715 -5.789 -7.005 1.00 0.00 C ATOM 1579 O PRO A 105 11.809 -6.617 -7.110 1.00 0.00 O ATOM 1580 CB PRO A 105 13.373 -5.053 -9.312 1.00 0.00 C ATOM 1581 CG PRO A 105 14.833 -4.770 -9.222 1.00 0.00 C ATOM 1582 CD PRO A 105 14.965 -3.544 -8.362 1.00 0.00 C ATOM 0 HA PRO A 105 11.793 -4.209 -8.020 1.00 0.00 H new ATOM 0 HB2 PRO A 105 13.185 -6.112 -9.489 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.914 -4.506 -10.135 1.00 0.00 H new ATOM 0 HG2 PRO A 105 15.368 -5.613 -8.784 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.259 -4.601 -10.211 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.881 -3.565 -7.771 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.993 -2.634 -8.961 1.00 0.00 H new ATOM 1590 N ASP A 106 13.657 -5.863 -6.071 1.00 0.00 N ATOM 1591 CA ASP A 106 13.682 -6.945 -5.094 1.00 0.00 C ATOM 1592 C ASP A 106 12.930 -6.550 -3.827 1.00 0.00 C ATOM 1593 O ASP A 106 12.639 -7.392 -2.978 1.00 0.00 O ATOM 1594 CB ASP A 106 15.125 -7.318 -4.750 1.00 0.00 C ATOM 1595 CG ASP A 106 15.868 -7.907 -5.933 1.00 0.00 C ATOM 1596 OD1 ASP A 106 15.639 -7.441 -7.069 1.00 0.00 O ATOM 1597 OD2 ASP A 106 16.679 -8.833 -5.723 1.00 0.00 O ATOM 0 H ASP A 106 14.413 -5.186 -5.970 1.00 0.00 H new ATOM 0 HA ASP A 106 13.187 -7.810 -5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.652 -6.431 -4.398 1.00 0.00 H new ATOM 0 HB3 ASP A 106 15.126 -8.036 -3.930 1.00 0.00 H new ATOM 1602 N ALA A 107 12.620 -5.263 -3.706 1.00 0.00 N ATOM 1603 CA ALA A 107 11.902 -4.756 -2.543 1.00 0.00 C ATOM 1604 C ALA A 107 10.403 -4.680 -2.814 1.00 0.00 C ATOM 1605 O ALA A 107 9.915 -3.707 -3.391 1.00 0.00 O ATOM 1606 CB ALA A 107 12.439 -3.389 -2.145 1.00 0.00 C ATOM 0 H ALA A 107 12.855 -4.553 -4.399 1.00 0.00 H new ATOM 0 HA ALA A 107 12.061 -5.450 -1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.893 -3.023 -1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.498 -3.471 -1.901 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.311 -2.692 -2.973 1.00 0.00 H new ATOM 1612 N PHE A 108 9.677 -5.711 -2.396 1.00 0.00 N ATOM 1613 CA PHE A 108 8.233 -5.761 -2.595 1.00 0.00 C ATOM 1614 C PHE A 108 7.514 -4.871 -1.587 1.00 0.00 C ATOM 1615 O PHE A 108 8.028 -4.604 -0.500 1.00 0.00 O ATOM 1616 CB PHE A 108 7.730 -7.201 -2.472 1.00 0.00 C ATOM 1617 CG PHE A 108 8.508 -8.181 -3.302 1.00 0.00 C ATOM 1618 CD1 PHE A 108 8.152 -8.433 -4.617 1.00 0.00 C ATOM 1619 CD2 PHE A 108 9.597 -8.851 -2.767 1.00 0.00 C ATOM 1620 CE1 PHE A 108 8.867 -9.335 -5.383 1.00 0.00 C ATOM 1621 CE2 PHE A 108 10.315 -9.753 -3.528 1.00 0.00 C ATOM 1622 CZ PHE A 108 9.949 -9.996 -4.838 1.00 0.00 C ATOM 0 H PHE A 108 10.065 -6.524 -1.917 1.00 0.00 H new ATOM 0 HA PHE A 108 8.016 -5.392 -3.597 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.776 -7.505 -1.426 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.682 -7.238 -2.768 1.00 0.00 H new ATOM 0 HD1 PHE A 108 7.306 -7.919 -5.049 1.00 0.00 H new ATOM 0 HD2 PHE A 108 9.888 -8.666 -1.743 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.579 -9.522 -6.407 1.00 0.00 H new ATOM 0 HE2 PHE A 108 11.162 -10.268 -3.099 1.00 0.00 H new ATOM 0 HZ PHE A 108 10.508 -10.702 -5.434 1.00 0.00 H new ATOM 1632 N TYR A 109 6.322 -4.414 -1.955 1.00 0.00 N ATOM 1633 CA TYR A 109 5.532 -3.551 -1.084 1.00 0.00 C ATOM 1634 C TYR A 109 4.039 -3.756 -1.322 1.00 0.00 C ATOM 1635 O TYR A 109 3.619 -4.119 -2.421 1.00 0.00 O ATOM 1636 CB TYR A 109 5.900 -2.084 -1.315 1.00 0.00 C ATOM 1637 CG TYR A 109 7.296 -1.730 -0.855 1.00 0.00 C ATOM 1638 CD1 TYR A 109 7.592 -1.602 0.497 1.00 0.00 C ATOM 1639 CD2 TYR A 109 8.319 -1.523 -1.772 1.00 0.00 C ATOM 1640 CE1 TYR A 109 8.865 -1.278 0.921 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.597 -1.200 -1.356 1.00 0.00 C ATOM 1642 CZ TYR A 109 9.864 -1.078 -0.008 1.00 0.00 C ATOM 1643 OH TYR A 109 11.135 -0.757 0.411 1.00 0.00 O ATOM 0 H TYR A 109 5.882 -4.627 -2.850 1.00 0.00 H new ATOM 0 HA TYR A 109 5.756 -3.817 -0.051 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.808 -1.858 -2.377 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.183 -1.452 -0.792 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.813 -1.759 1.228 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.112 -1.616 -2.828 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.078 -1.182 1.975 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.382 -1.044 -2.082 1.00 0.00 H new ATOM 0 HH TYR A 109 11.719 -0.651 -0.369 1.00 0.00 H new ATOM 1653 N TYR A 110 3.244 -3.521 -0.285 1.00 0.00 N ATOM 1654 CA TYR A 110 1.798 -3.682 -0.379 1.00 0.00 C ATOM 1655 C TYR A 110 1.077 -2.635 0.466 1.00 0.00 C ATOM 1656 O TYR A 110 1.661 -2.046 1.376 1.00 0.00 O ATOM 1657 CB TYR A 110 1.389 -5.085 0.070 1.00 0.00 C ATOM 1658 CG TYR A 110 1.758 -5.394 1.504 1.00 0.00 C ATOM 1659 CD1 TYR A 110 0.940 -4.995 2.553 1.00 0.00 C ATOM 1660 CD2 TYR A 110 2.925 -6.084 1.808 1.00 0.00 C ATOM 1661 CE1 TYR A 110 1.273 -5.274 3.865 1.00 0.00 C ATOM 1662 CE2 TYR A 110 3.265 -6.368 3.117 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.437 -5.961 4.141 1.00 0.00 C ATOM 1664 OH TYR A 110 2.773 -6.241 5.446 1.00 0.00 O ATOM 0 H TYR A 110 3.576 -3.218 0.631 1.00 0.00 H new ATOM 0 HA TYR A 110 1.510 -3.543 -1.421 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.311 -5.196 -0.051 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.861 -5.819 -0.584 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.028 -4.457 2.340 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.577 -6.404 1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.626 -4.956 4.669 1.00 0.00 H new ATOM 0 HE2 TYR A 110 4.175 -6.906 3.337 1.00 0.00 H new ATOM 0 HH TYR A 110 3.621 -6.731 5.467 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.195 -2.410 0.158 1.00 0.00 N ATOM 1675 CA PHE A 111 -0.997 -1.434 0.887 1.00 0.00 C ATOM 1676 C PHE A 111 -1.733 -2.095 2.049 1.00 0.00 C ATOM 1677 O PHE A 111 -2.139 -3.255 1.980 1.00 0.00 O ATOM 1678 CB PHE A 111 -2.002 -0.764 -0.052 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.382 -0.232 -1.312 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.624 0.927 -1.292 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -1.557 -0.892 -2.518 1.00 0.00 C ATOM 1682 CE1 PHE A 111 -0.053 1.419 -2.450 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -0.988 -0.406 -3.680 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.234 0.751 -3.646 1.00 0.00 C ATOM 0 H PHE A 111 -0.693 -2.890 -0.591 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.325 -0.676 1.289 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.778 -1.483 -0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.491 0.054 0.476 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.477 1.453 -0.360 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.145 -1.797 -2.550 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.534 2.325 -2.420 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.133 -0.930 -4.613 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.213 1.133 -4.552 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.908 -1.340 3.144 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.595 -1.831 4.343 1.00 0.00 C ATOM 1696 C PRO A 112 -4.091 -2.023 4.116 1.00 0.00 C ATOM 1697 O PRO A 112 -4.789 -2.582 4.961 1.00 0.00 O ATOM 1698 CB PRO A 112 -2.347 -0.725 5.371 1.00 0.00 C ATOM 1699 CG PRO A 112 -2.127 0.504 4.560 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.450 0.051 3.296 1.00 0.00 C ATOM 0 HA PRO A 112 -2.227 -2.809 4.652 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -3.199 -0.610 6.041 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.480 -0.949 5.993 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.072 1.001 4.340 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.508 1.221 5.099 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.739 0.665 2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.365 0.110 3.378 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.575 -1.557 2.970 1.00 0.00 N ATOM 1709 CA ASP A 113 -5.988 -1.679 2.632 1.00 0.00 C ATOM 1710 C ASP A 113 -6.163 -2.171 1.198 1.00 0.00 C ATOM 1711 O ASP A 113 -7.125 -1.808 0.521 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.696 -0.335 2.813 1.00 0.00 C ATOM 1713 CG ASP A 113 -6.695 0.129 4.256 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -7.263 -0.584 5.110 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -6.126 1.206 4.532 1.00 0.00 O ATOM 0 H ASP A 113 -4.010 -1.092 2.260 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.435 -2.410 3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.208 0.416 2.192 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.724 -0.419 2.462 1.00 0.00 H new ATOM 1720 N SER A 114 -5.227 -2.996 0.743 1.00 0.00 N ATOM 1721 CA SER A 114 -5.275 -3.534 -0.612 1.00 0.00 C ATOM 1722 C SER A 114 -5.665 -5.009 -0.598 1.00 0.00 C ATOM 1723 O SER A 114 -6.428 -5.469 -1.445 1.00 0.00 O ATOM 1724 CB SER A 114 -3.920 -3.360 -1.301 1.00 0.00 C ATOM 1725 OG SER A 114 -3.722 -4.350 -2.294 1.00 0.00 O ATOM 0 H SER A 114 -4.426 -3.307 1.292 1.00 0.00 H new ATOM 0 HA SER A 114 -6.032 -2.981 -1.169 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.863 -2.370 -1.754 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.122 -3.418 -0.561 1.00 0.00 H new ATOM 0 HG SER A 114 -2.850 -4.216 -2.720 1.00 0.00 H new ATOM 1731 N GLY A 115 -5.134 -5.746 0.373 1.00 0.00 N ATOM 1732 CA GLY A 115 -5.437 -7.161 0.481 1.00 0.00 C ATOM 1733 C GLY A 115 -4.252 -8.036 0.124 1.00 0.00 C ATOM 1734 O GLY A 115 -4.282 -8.756 -0.875 1.00 0.00 O ATOM 0 H GLY A 115 -4.499 -5.388 1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.756 -7.384 1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.273 -7.402 -0.175 1.00 0.00 H new ATOM 1738 N PHE A 116 -3.205 -7.974 0.939 1.00 0.00 N ATOM 1739 CA PHE A 116 -2.003 -8.766 0.703 1.00 0.00 C ATOM 1740 C PHE A 116 -1.902 -9.913 1.703 1.00 0.00 C ATOM 1741 O PHE A 116 -2.406 -9.822 2.823 1.00 0.00 O ATOM 1742 CB PHE A 116 -0.758 -7.882 0.795 1.00 0.00 C ATOM 1743 CG PHE A 116 0.470 -8.620 1.246 1.00 0.00 C ATOM 1744 CD1 PHE A 116 0.704 -8.846 2.593 1.00 0.00 C ATOM 1745 CD2 PHE A 116 1.390 -9.089 0.322 1.00 0.00 C ATOM 1746 CE1 PHE A 116 1.832 -9.526 3.011 1.00 0.00 C ATOM 1747 CE2 PHE A 116 2.520 -9.770 0.734 1.00 0.00 C ATOM 1748 CZ PHE A 116 2.742 -9.987 2.080 1.00 0.00 C ATOM 0 H PHE A 116 -3.164 -7.383 1.769 1.00 0.00 H new ATOM 0 HA PHE A 116 -2.067 -9.187 -0.300 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -0.566 -7.436 -0.181 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -0.954 -7.063 1.487 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -0.004 -8.486 3.325 1.00 0.00 H new ATOM 0 HD2 PHE A 116 1.222 -8.921 -0.732 1.00 0.00 H new ATOM 0 HE1 PHE A 116 2.002 -9.697 4.064 1.00 0.00 H new ATOM 0 HE2 PHE A 116 3.229 -10.132 0.004 1.00 0.00 H new ATOM 0 HZ PHE A 116 3.626 -10.516 2.404 1.00 0.00 H new ATOM 1758 N PHE A 117 -1.247 -10.994 1.291 1.00 0.00 N ATOM 1759 CA PHE A 117 -1.080 -12.160 2.150 1.00 0.00 C ATOM 1760 C PHE A 117 0.163 -12.953 1.755 1.00 0.00 C ATOM 1761 O PHE A 117 0.332 -13.324 0.593 1.00 0.00 O ATOM 1762 CB PHE A 117 -2.316 -13.058 2.073 1.00 0.00 C ATOM 1763 CG PHE A 117 -2.339 -13.945 0.862 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -1.594 -15.112 0.827 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -3.106 -13.612 -0.243 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -1.612 -15.930 -0.287 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -3.129 -14.426 -1.360 1.00 0.00 C ATOM 1768 CZ PHE A 117 -2.382 -15.587 -1.381 1.00 0.00 C ATOM 0 H PHE A 117 -0.823 -11.086 0.368 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.957 -11.810 3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.361 -13.678 2.968 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.209 -12.433 2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -0.992 -15.386 1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -3.693 -12.705 -0.231 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -1.025 -16.836 -0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -3.730 -14.154 -2.215 1.00 0.00 H new ATOM 0 HZ PHE A 117 -2.400 -16.226 -2.252 1.00 0.00 H new ATOM 1778 N CYS A 118 1.029 -13.207 2.729 1.00 0.00 N ATOM 1779 CA CYS A 118 2.258 -13.955 2.484 1.00 0.00 C ATOM 1780 C CYS A 118 2.031 -15.451 2.674 1.00 0.00 C ATOM 1781 O CYS A 118 1.202 -15.865 3.484 1.00 0.00 O ATOM 1782 CB CYS A 118 3.368 -13.472 3.419 1.00 0.00 C ATOM 1783 SG CYS A 118 3.065 -13.821 5.167 1.00 0.00 S ATOM 0 H CYS A 118 0.904 -12.906 3.696 1.00 0.00 H new ATOM 0 HA CYS A 118 2.561 -13.781 1.452 1.00 0.00 H new ATOM 0 HB2 CYS A 118 4.307 -13.941 3.123 1.00 0.00 H new ATOM 0 HB3 CYS A 118 3.494 -12.397 3.291 1.00 0.00 H new ATOM 0 HG CYS A 118 2.194 -14.780 5.273 1.00 0.00 H new ATOM 1789 N GLU A 119 2.772 -16.257 1.920 1.00 0.00 N ATOM 1790 CA GLU A 119 2.649 -17.707 2.004 1.00 0.00 C ATOM 1791 C GLU A 119 4.024 -18.366 2.086 1.00 0.00 C ATOM 1792 O GLU A 119 4.544 -18.864 1.089 1.00 0.00 O ATOM 1793 CB GLU A 119 1.885 -18.248 0.794 1.00 0.00 C ATOM 1794 CG GLU A 119 2.084 -17.426 -0.469 1.00 0.00 C ATOM 1795 CD GLU A 119 1.980 -18.260 -1.730 1.00 0.00 C ATOM 1796 OE1 GLU A 119 1.840 -19.496 -1.614 1.00 0.00 O ATOM 1797 OE2 GLU A 119 2.038 -17.679 -2.834 1.00 0.00 O ATOM 0 H GLU A 119 3.463 -15.930 1.245 1.00 0.00 H new ATOM 0 HA GLU A 119 2.095 -17.946 2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 119 2.202 -19.273 0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.822 -18.282 1.032 1.00 0.00 H new ATOM 0 HG2 GLU A 119 1.339 -16.631 -0.501 1.00 0.00 H new ATOM 0 HG3 GLU A 119 3.062 -16.946 -0.435 1.00 0.00 H new