USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 740 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 30 TYR OH : rot 146:sc= -1.27 USER MOD Set 1.2: A 81 ASN : amide:sc= -3.98 K(o=-3.7,f=-11!) USER MOD Set 1.3: A 82 THR OG1 : rot 180:sc= -0.15 USER MOD Set 1.4: A 98 THR OG1 : rot -74:sc= 1.7 USER MOD Set 2.1: A 66 GLN : amide:sc= -0.379 X(o=-0.58,f=-0.27) USER MOD Set 2.2: A 80 TYR OH : rot 154:sc= -0.204 USER MOD Set 3.1: A 16 LYS NZ :NH3+ -175:sc= 0.464 (180deg=0.448) USER MOD Set 3.2: A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -1.14 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= 0.249 (180deg=0.212) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -2.57 K(o=-2.6,f=-3.7!) USER MOD Single : A 39 SER OG : rot -68:sc= 0.674 USER MOD Single : A 48 ASN : amide:sc= -4.25! C(o=-4.3!,f=-12!) USER MOD Single : A 54 THR OG1 : rot -47:sc= 1.43 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 170:sc= -1.45 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 68 SER OG : rot 107:sc= 1.16 USER MOD Single : A 70 GLN : amide:sc= -1.12 K(o=-1.1,f=-3.2!) USER MOD Single : A 71 THR OG1 : rot -25:sc= 0.94 USER MOD Single : A 73 SER OG : rot -140:sc= -2.19! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 30:sc= -1.13 USER MOD Single : A 88 CYS SG : rot 130:sc= -4.59! USER MOD Single : A 90 HIS : no HE2:sc= -5.57! C(o=-5.6!,f=-7.2!) USER MOD Single : A 91 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.4!) USER MOD Single : A 99 LYS NZ :NH3+ -152:sc= 0.268 (180deg=-2.16) USER MOD Single : A 104 LYS NZ :NH3+ -131:sc= -0.111 (180deg=-0.758) USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 1.177 12.587 6.015 1.00 0.00 N ATOM 117 CA LEU A 9 2.317 12.332 6.888 1.00 0.00 C ATOM 118 C LEU A 9 2.570 13.530 7.799 1.00 0.00 C ATOM 119 O LEU A 9 1.849 14.525 7.742 1.00 0.00 O ATOM 120 CB LEU A 9 3.518 11.965 6.003 1.00 0.00 C ATOM 121 CG LEU A 9 3.509 10.585 5.366 1.00 0.00 C ATOM 122 CD1 LEU A 9 4.236 10.594 4.030 1.00 0.00 C ATOM 123 CD2 LEU A 9 4.178 9.604 6.323 1.00 0.00 C ATOM 0 HA LEU A 9 2.124 11.495 7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.591 12.705 5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.422 12.055 6.605 1.00 0.00 H new ATOM 0 HG LEU A 9 2.479 10.283 5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.214 9.594 3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.745 11.293 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.271 10.901 4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.180 8.608 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.204 9.920 6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.629 9.582 7.264 1.00 0.00 H new ATOM 135 N SER A 10 3.700 13.487 8.498 1.00 0.00 N ATOM 136 CA SER A 10 4.246 14.668 9.157 1.00 0.00 C ATOM 137 C SER A 10 5.306 15.321 8.271 1.00 0.00 C ATOM 138 O SER A 10 5.642 14.788 7.211 1.00 0.00 O ATOM 139 CB SER A 10 4.810 14.331 10.530 1.00 0.00 C ATOM 140 OG SER A 10 6.083 13.716 10.431 1.00 0.00 O ATOM 0 H SER A 10 4.258 12.642 8.623 1.00 0.00 H new ATOM 0 HA SER A 10 3.434 15.379 9.310 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.889 15.241 11.125 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.123 13.666 11.054 1.00 0.00 H new ATOM 0 HG SER A 10 6.419 13.513 11.329 1.00 0.00 H new ATOM 146 N GLY A 11 6.017 16.278 8.859 1.00 0.00 N ATOM 147 CA GLY A 11 7.193 16.863 8.235 1.00 0.00 C ATOM 148 C GLY A 11 8.254 15.796 7.985 1.00 0.00 C ATOM 149 O GLY A 11 8.761 15.656 6.874 1.00 0.00 O ATOM 0 H GLY A 11 5.794 16.666 9.776 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.915 17.335 7.293 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.600 17.646 8.875 1.00 0.00 H new ATOM 153 N GLY A 12 8.651 15.124 9.061 1.00 0.00 N ATOM 154 CA GLY A 12 9.795 14.223 9.028 1.00 0.00 C ATOM 155 C GLY A 12 9.459 12.966 8.232 1.00 0.00 C ATOM 156 O GLY A 12 10.198 12.578 7.328 1.00 0.00 O ATOM 0 H GLY A 12 8.194 15.188 9.971 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.651 14.728 8.579 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.082 13.952 10.044 1.00 0.00 H new ATOM 160 N GLU A 13 8.250 12.460 8.455 1.00 0.00 N ATOM 161 CA GLU A 13 7.756 11.297 7.735 1.00 0.00 C ATOM 162 C GLU A 13 7.697 11.587 6.235 1.00 0.00 C ATOM 163 O GLU A 13 7.995 10.715 5.419 1.00 0.00 O ATOM 164 CB GLU A 13 6.366 10.964 8.289 1.00 0.00 C ATOM 165 CG GLU A 13 6.085 10.695 9.654 1.00 0.00 C ATOM 166 CD GLU A 13 4.667 10.361 10.008 1.00 0.00 C ATOM 167 OE1 GLU A 13 3.711 11.069 9.744 1.00 0.00 O ATOM 168 OE2 GLU A 13 4.567 9.242 10.558 1.00 0.00 O ATOM 0 H GLU A 13 7.592 12.842 9.134 1.00 0.00 H new ATOM 0 HA GLU A 13 8.423 10.446 7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.722 11.797 8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.021 10.092 7.733 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.717 9.866 9.972 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.383 11.565 10.238 1.00 0.00 H new ATOM 175 N LEU A 14 7.539 12.866 5.909 1.00 0.00 N ATOM 176 CA LEU A 14 7.764 13.355 4.557 1.00 0.00 C ATOM 177 C LEU A 14 9.211 13.103 4.136 1.00 0.00 C ATOM 178 O LEU A 14 9.469 12.630 3.031 1.00 0.00 O ATOM 179 CB LEU A 14 7.358 14.836 4.515 1.00 0.00 C ATOM 180 CG LEU A 14 6.286 15.228 3.513 1.00 0.00 C ATOM 181 CD1 LEU A 14 6.600 14.676 2.129 1.00 0.00 C ATOM 182 CD2 LEU A 14 4.944 14.692 4.001 1.00 0.00 C ATOM 0 H LEU A 14 7.253 13.587 6.571 1.00 0.00 H new ATOM 0 HA LEU A 14 7.152 12.819 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.013 15.121 5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.250 15.426 4.305 1.00 0.00 H new ATOM 0 HG LEU A 14 6.250 16.315 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.816 14.972 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.557 15.072 1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.653 13.588 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.163 14.966 3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.994 13.606 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.714 15.120 4.977 1.00 0.00 H new ATOM 194 N ASP A 15 10.132 13.616 4.945 1.00 0.00 N ATOM 195 CA ASP A 15 11.544 13.642 4.590 1.00 0.00 C ATOM 196 C ASP A 15 12.066 12.219 4.392 1.00 0.00 C ATOM 197 O ASP A 15 13.025 12.002 3.651 1.00 0.00 O ATOM 198 CB ASP A 15 12.361 14.474 5.574 1.00 0.00 C ATOM 199 CG ASP A 15 13.798 14.684 5.135 1.00 0.00 C ATOM 200 OD1 ASP A 15 14.093 15.593 4.345 1.00 0.00 O ATOM 201 OD2 ASP A 15 14.636 13.869 5.578 1.00 0.00 O ATOM 0 H ASP A 15 9.922 14.022 5.857 1.00 0.00 H new ATOM 0 HA ASP A 15 11.661 14.151 3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.882 15.445 5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.354 13.983 6.547 1.00 0.00 H new ATOM 206 N LYS A 16 11.290 11.257 4.880 1.00 0.00 N ATOM 207 CA LYS A 16 11.472 9.858 4.520 1.00 0.00 C ATOM 208 C LYS A 16 10.654 9.516 3.280 1.00 0.00 C ATOM 209 O LYS A 16 11.193 9.056 2.274 1.00 0.00 O ATOM 210 CB LYS A 16 11.070 8.918 5.657 1.00 0.00 C ATOM 211 CG LYS A 16 11.810 7.579 5.650 1.00 0.00 C ATOM 212 CD LYS A 16 11.780 6.884 4.302 1.00 0.00 C ATOM 213 CE LYS A 16 12.923 7.182 3.426 1.00 0.00 C ATOM 214 NZ LYS A 16 14.004 6.176 3.585 1.00 0.00 N ATOM 0 H LYS A 16 10.523 11.424 5.531 1.00 0.00 H new ATOM 0 HA LYS A 16 12.534 9.718 4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.253 9.417 6.609 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.998 8.729 5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.847 7.743 5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.367 6.923 6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.737 5.807 4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.862 7.164 3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.592 7.202 2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.311 8.174 3.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.829 6.460 3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.277 6.115 4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.665 5.248 3.261 1.00 0.00 H new ATOM 228 N TRP A 17 9.389 9.928 3.301 1.00 0.00 N ATOM 229 CA TRP A 17 8.458 9.590 2.236 1.00 0.00 C ATOM 230 C TRP A 17 8.940 10.147 0.902 1.00 0.00 C ATOM 231 O TRP A 17 8.587 9.640 -0.162 1.00 0.00 O ATOM 232 CB TRP A 17 7.034 10.041 2.570 1.00 0.00 C ATOM 233 CG TRP A 17 6.026 9.705 1.509 1.00 0.00 C ATOM 234 CD1 TRP A 17 5.903 10.298 0.280 1.00 0.00 C ATOM 235 CD2 TRP A 17 5.281 8.476 1.429 1.00 0.00 C ATOM 236 NE1 TRP A 17 5.095 9.543 -0.537 1.00 0.00 N ATOM 237 CE2 TRP A 17 4.727 8.406 0.130 1.00 0.00 C ATOM 238 CE3 TRP A 17 5.026 7.456 2.338 1.00 0.00 C ATOM 239 CZ2 TRP A 17 3.848 7.399 -0.244 1.00 0.00 C ATOM 240 CZ3 TRP A 17 4.146 6.458 1.969 1.00 0.00 C ATOM 241 CH2 TRP A 17 3.577 6.419 0.699 1.00 0.00 C ATOM 0 H TRP A 17 8.988 10.497 4.046 1.00 0.00 H new ATOM 0 HA TRP A 17 8.426 8.504 2.145 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.727 9.579 3.508 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.033 11.119 2.730 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.374 11.227 -0.006 1.00 0.00 H new ATOM 0 HE1 TRP A 17 4.815 9.790 -1.486 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.503 7.444 3.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 3.396 7.380 -1.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.893 5.689 2.683 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.911 5.609 0.443 1.00 0.00 H new ATOM 252 N GLU A 18 9.943 11.026 0.976 1.00 0.00 N ATOM 253 CA GLU A 18 10.292 11.849 -0.183 1.00 0.00 C ATOM 254 C GLU A 18 11.424 11.205 -0.975 1.00 0.00 C ATOM 255 O GLU A 18 12.141 11.888 -1.713 1.00 0.00 O ATOM 256 CB GLU A 18 10.699 13.229 0.351 1.00 0.00 C ATOM 257 CG GLU A 18 11.342 14.236 -0.412 1.00 0.00 C ATOM 258 CD GLU A 18 10.680 14.653 -1.693 1.00 0.00 C ATOM 259 OE1 GLU A 18 9.767 15.461 -1.754 1.00 0.00 O ATOM 260 OE2 GLU A 18 11.318 14.265 -2.697 1.00 0.00 O ATOM 0 H GLU A 18 10.515 11.184 1.805 1.00 0.00 H new ATOM 0 HA GLU A 18 9.447 11.943 -0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.786 13.682 0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.348 13.040 1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.449 15.120 0.217 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.348 13.890 -0.649 1.00 0.00 H new ATOM 267 N LYS A 19 11.461 9.878 -0.961 1.00 0.00 N ATOM 268 CA LYS A 19 12.202 9.113 -1.963 1.00 0.00 C ATOM 269 C LYS A 19 12.090 7.621 -1.667 1.00 0.00 C ATOM 270 O LYS A 19 12.905 7.064 -0.920 1.00 0.00 O ATOM 271 CB LYS A 19 13.673 9.517 -2.017 1.00 0.00 C ATOM 272 CG LYS A 19 14.161 9.909 -3.412 1.00 0.00 C ATOM 273 CD LYS A 19 15.667 9.805 -3.567 1.00 0.00 C ATOM 274 CE LYS A 19 16.438 10.794 -2.798 1.00 0.00 C ATOM 275 NZ LYS A 19 17.544 10.153 -2.043 1.00 0.00 N ATOM 0 H LYS A 19 10.985 9.305 -0.264 1.00 0.00 H new ATOM 0 HA LYS A 19 11.760 9.332 -2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.834 10.355 -1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 19 14.280 8.689 -1.651 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.681 9.269 -4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.850 10.932 -3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.981 8.806 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.917 9.912 -4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.845 11.545 -3.474 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.776 11.314 -2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 18.068 10.878 -1.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.152 9.454 -1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.188 9.678 -2.707 1.00 0.00 H new ATOM 289 N ILE A 20 10.881 7.095 -1.896 1.00 0.00 N ATOM 290 CA ILE A 20 10.690 5.641 -1.837 1.00 0.00 C ATOM 291 C ILE A 20 10.670 5.069 -3.246 1.00 0.00 C ATOM 292 O ILE A 20 9.654 5.132 -3.946 1.00 0.00 O ATOM 293 CB ILE A 20 9.426 5.300 -0.980 1.00 0.00 C ATOM 294 CG1 ILE A 20 9.774 5.520 0.529 1.00 0.00 C ATOM 295 CG2 ILE A 20 8.833 3.897 -1.212 1.00 0.00 C ATOM 296 CD1 ILE A 20 8.546 5.523 1.465 1.00 0.00 C ATOM 0 H ILE A 20 10.044 7.634 -2.117 1.00 0.00 H new ATOM 0 HA ILE A 20 11.527 5.161 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 20 8.636 5.976 -1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.461 4.737 0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.300 6.469 0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.962 3.760 -0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.536 3.796 -2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.582 3.142 -0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.872 5.681 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.867 6.324 1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.030 4.566 1.391 1.00 0.00 H new ATOM 308 N ARG A 21 11.694 4.274 -3.555 1.00 0.00 N ATOM 309 CA ARG A 21 11.916 3.811 -4.915 1.00 0.00 C ATOM 310 C ARG A 21 10.727 2.990 -5.406 1.00 0.00 C ATOM 311 O ARG A 21 10.191 2.162 -4.672 1.00 0.00 O ATOM 312 CB ARG A 21 13.202 2.979 -5.031 1.00 0.00 C ATOM 313 CG ARG A 21 13.641 2.687 -6.457 1.00 0.00 C ATOM 314 CD ARG A 21 15.010 2.099 -6.504 1.00 0.00 C ATOM 315 NE ARG A 21 14.992 0.652 -6.345 1.00 0.00 N ATOM 316 CZ ARG A 21 16.078 -0.112 -6.475 1.00 0.00 C ATOM 317 NH1 ARG A 21 17.294 0.417 -6.566 1.00 0.00 N ATOM 318 NH2 ARG A 21 15.946 -1.439 -6.460 1.00 0.00 N ATOM 0 H ARG A 21 12.380 3.940 -2.878 1.00 0.00 H new ATOM 0 HA ARG A 21 12.026 4.696 -5.541 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.007 3.505 -4.518 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.056 2.033 -4.509 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.934 2.000 -6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.620 3.608 -7.040 1.00 0.00 H new ATOM 0 HD2 ARG A 21 15.480 2.353 -7.454 1.00 0.00 H new ATOM 0 HD3 ARG A 21 15.621 2.542 -5.718 1.00 0.00 H new ATOM 0 HE ARG A 21 14.105 0.200 -6.123 1.00 0.00 H new ATOM 0 HH11 ARG A 21 17.413 1.430 -6.537 1.00 0.00 H new ATOM 0 HH12 ARG A 21 18.108 -0.190 -6.665 1.00 0.00 H new ATOM 0 HH21 ARG A 21 15.023 -1.858 -6.350 1.00 0.00 H new ATOM 0 HH22 ARG A 21 16.768 -2.034 -6.558 1.00 0.00 H new ATOM 464 N TYR A 30 9.311 7.395 -5.272 1.00 0.00 N ATOM 465 CA TYR A 30 8.170 7.957 -4.579 1.00 0.00 C ATOM 466 C TYR A 30 8.514 9.403 -4.113 1.00 0.00 C ATOM 467 O TYR A 30 9.337 9.504 -3.183 1.00 0.00 O ATOM 468 CB TYR A 30 7.764 7.132 -3.352 1.00 0.00 C ATOM 469 CG TYR A 30 6.888 5.923 -3.626 1.00 0.00 C ATOM 470 CD1 TYR A 30 7.001 5.205 -4.819 1.00 0.00 C ATOM 471 CD2 TYR A 30 6.085 5.379 -2.616 1.00 0.00 C ATOM 472 CE1 TYR A 30 6.493 3.913 -4.939 1.00 0.00 C ATOM 473 CE2 TYR A 30 5.495 4.121 -2.754 1.00 0.00 C ATOM 474 CZ TYR A 30 5.726 3.380 -3.911 1.00 0.00 C ATOM 475 OH TYR A 30 5.338 2.069 -4.016 1.00 0.00 O ATOM 0 HA TYR A 30 7.333 7.954 -5.278 1.00 0.00 H new ATOM 0 HB2 TYR A 30 8.670 6.793 -2.850 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.239 7.786 -2.656 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.492 5.661 -5.666 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.918 5.944 -1.711 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.694 3.330 -5.826 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.865 3.726 -1.971 1.00 0.00 H new ATOM 0 HH TYR A 30 5.313 1.663 -3.124 1.00 0.00 H new ATOM 485 N LYS A 31 7.463 10.224 -4.190 1.00 0.00 N ATOM 486 CA LYS A 31 7.381 11.476 -3.466 1.00 0.00 C ATOM 487 C LYS A 31 5.984 11.664 -2.878 1.00 0.00 C ATOM 488 O LYS A 31 5.032 11.007 -3.295 1.00 0.00 O ATOM 489 CB LYS A 31 7.708 12.678 -4.356 1.00 0.00 C ATOM 490 CG LYS A 31 8.878 13.523 -3.850 1.00 0.00 C ATOM 491 CD LYS A 31 9.359 14.544 -4.864 1.00 0.00 C ATOM 492 CE LYS A 31 8.738 15.872 -4.748 1.00 0.00 C ATOM 493 NZ LYS A 31 9.737 16.911 -4.390 1.00 0.00 N ATOM 0 H LYS A 31 6.643 10.028 -4.764 1.00 0.00 H new ATOM 0 HA LYS A 31 8.121 11.426 -2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.937 12.322 -5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.824 13.310 -4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.578 14.039 -2.938 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.706 12.865 -3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.439 14.654 -4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.170 14.157 -5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.260 16.135 -5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.954 15.843 -3.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.301 17.852 -4.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.063 16.757 -3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.547 16.852 -5.039 1.00 0.00 H new ATOM 507 N LEU A 32 5.854 12.713 -2.071 1.00 0.00 N ATOM 508 CA LEU A 32 4.579 13.028 -1.436 1.00 0.00 C ATOM 509 C LEU A 32 3.541 13.378 -2.504 1.00 0.00 C ATOM 510 O LEU A 32 2.380 12.967 -2.387 1.00 0.00 O ATOM 511 CB LEU A 32 4.818 14.140 -0.409 1.00 0.00 C ATOM 512 CG LEU A 32 3.926 14.157 0.820 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.508 14.520 0.391 1.00 0.00 C ATOM 514 CD2 LEU A 32 3.934 12.811 1.528 1.00 0.00 C ATOM 0 H LEU A 32 6.612 13.356 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 32 4.171 12.172 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.853 14.073 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.710 15.098 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 32 4.305 14.898 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.856 14.536 1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.510 15.504 -0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.143 13.780 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.286 12.856 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.572 12.040 0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.950 12.571 1.841 1.00 0.00 H new ATOM 526 N LYS A 33 4.056 13.718 -3.686 1.00 0.00 N ATOM 527 CA LYS A 33 3.209 14.016 -4.830 1.00 0.00 C ATOM 528 C LYS A 33 2.416 12.782 -5.245 1.00 0.00 C ATOM 529 O LYS A 33 1.207 12.860 -5.468 1.00 0.00 O ATOM 530 CB LYS A 33 4.016 14.517 -6.027 1.00 0.00 C ATOM 531 CG LYS A 33 3.160 15.087 -7.159 1.00 0.00 C ATOM 532 CD LYS A 33 2.729 16.522 -6.914 1.00 0.00 C ATOM 533 CE LYS A 33 1.861 17.093 -7.956 1.00 0.00 C ATOM 534 NZ LYS A 33 1.940 18.576 -7.976 1.00 0.00 N ATOM 0 H LYS A 33 5.056 13.793 -3.871 1.00 0.00 H new ATOM 0 HA LYS A 33 2.528 14.808 -4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.710 15.286 -5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.616 13.695 -6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.721 15.037 -8.092 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.274 14.464 -7.286 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.206 16.571 -5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.620 17.143 -6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.152 16.699 -8.930 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.830 16.785 -7.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.317 18.947 -8.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.639 18.952 -7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.920 18.869 -8.166 1.00 0.00 H new ATOM 548 N HIS A 34 3.047 11.616 -5.083 1.00 0.00 N ATOM 549 CA HIS A 34 2.451 10.370 -5.533 1.00 0.00 C ATOM 550 C HIS A 34 1.722 9.673 -4.385 1.00 0.00 C ATOM 551 O HIS A 34 0.795 8.898 -4.614 1.00 0.00 O ATOM 552 CB HIS A 34 3.418 9.368 -6.191 1.00 0.00 C ATOM 553 CG HIS A 34 4.745 9.962 -6.565 1.00 0.00 C ATOM 554 ND1 HIS A 34 5.881 9.207 -6.757 1.00 0.00 N ATOM 555 CD2 HIS A 34 5.019 11.177 -7.106 1.00 0.00 C ATOM 556 CE1 HIS A 34 6.823 9.963 -7.303 1.00 0.00 C ATOM 557 NE2 HIS A 34 6.343 11.177 -7.459 1.00 0.00 N ATOM 0 H HIS A 34 3.963 11.516 -4.646 1.00 0.00 H new ATOM 0 HA HIS A 34 1.758 10.678 -6.316 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.583 8.535 -5.508 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.949 8.959 -7.086 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.322 11.992 -7.234 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.816 9.637 -7.574 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.870 11.986 -7.789 1.00 0.00 H new ATOM 565 N ILE A 35 2.054 10.083 -3.161 1.00 0.00 N ATOM 566 CA ILE A 35 1.176 9.842 -2.023 1.00 0.00 C ATOM 567 C ILE A 35 -0.150 10.583 -2.229 1.00 0.00 C ATOM 568 O ILE A 35 -1.159 10.204 -1.627 1.00 0.00 O ATOM 569 CB ILE A 35 1.866 10.137 -0.662 1.00 0.00 C ATOM 570 CG1 ILE A 35 1.412 9.042 0.365 1.00 0.00 C ATOM 571 CG2 ILE A 35 1.668 11.549 -0.082 1.00 0.00 C ATOM 572 CD1 ILE A 35 2.197 9.063 1.694 1.00 0.00 C ATOM 0 H ILE A 35 2.917 10.579 -2.936 1.00 0.00 H new ATOM 0 HA ILE A 35 0.946 8.778 -1.973 1.00 0.00 H new ATOM 0 HB ILE A 35 2.938 10.101 -0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.352 9.177 0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.522 8.060 -0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.197 11.630 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.061 12.288 -0.781 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.605 11.731 0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.824 8.276 2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.256 8.897 1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.067 10.031 2.178 1.00 0.00 H new ATOM 584 N VAL A 36 -0.003 11.840 -2.656 1.00 0.00 N ATOM 585 CA VAL A 36 -1.134 12.757 -2.734 1.00 0.00 C ATOM 586 C VAL A 36 -2.164 12.206 -3.736 1.00 0.00 C ATOM 587 O VAL A 36 -3.266 11.833 -3.296 1.00 0.00 O ATOM 588 CB VAL A 36 -0.659 14.182 -3.052 1.00 0.00 C ATOM 589 CG1 VAL A 36 -1.806 15.149 -3.328 1.00 0.00 C ATOM 590 CG2 VAL A 36 0.251 14.731 -1.960 1.00 0.00 C ATOM 0 H VAL A 36 0.887 12.241 -2.951 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.633 12.828 -1.768 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.083 14.100 -3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.403 16.138 -3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.382 14.795 -4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.453 15.205 -2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.566 15.741 -2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.289 14.753 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.128 14.092 -1.862 1.00 0.00 H new ATOM 600 N TRP A 37 -1.615 11.636 -4.809 1.00 0.00 N ATOM 601 CA TRP A 37 -2.388 10.822 -5.739 1.00 0.00 C ATOM 602 C TRP A 37 -2.984 9.614 -5.004 1.00 0.00 C ATOM 603 O TRP A 37 -3.996 9.063 -5.467 1.00 0.00 O ATOM 604 CB TRP A 37 -1.547 10.419 -6.945 1.00 0.00 C ATOM 605 CG TRP A 37 -2.189 9.435 -7.876 1.00 0.00 C ATOM 606 CD1 TRP A 37 -3.050 9.725 -8.902 1.00 0.00 C ATOM 607 CD2 TRP A 37 -2.337 8.025 -7.629 1.00 0.00 C ATOM 608 NE1 TRP A 37 -3.650 8.576 -9.363 1.00 0.00 N ATOM 609 CE2 TRP A 37 -3.234 7.523 -8.599 1.00 0.00 C ATOM 610 CE3 TRP A 37 -1.765 7.153 -6.710 1.00 0.00 C ATOM 611 CZ2 TRP A 37 -3.586 6.182 -8.658 1.00 0.00 C ATOM 612 CZ3 TRP A 37 -2.081 5.812 -6.796 1.00 0.00 C ATOM 613 CH2 TRP A 37 -2.974 5.332 -7.749 1.00 0.00 C ATOM 0 H TRP A 37 -0.629 11.726 -5.054 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.218 11.412 -6.129 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.297 11.318 -7.509 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.608 9.996 -6.587 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.232 10.715 -9.293 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.300 8.520 -10.147 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.091 7.515 -5.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.303 5.817 -9.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.624 5.118 -6.106 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.195 4.275 -7.782 1.00 0.00 H new ATOM 624 N ALA A 38 -2.091 8.925 -4.290 1.00 0.00 N ATOM 625 CA ALA A 38 -2.409 7.654 -3.656 1.00 0.00 C ATOM 626 C ALA A 38 -3.575 7.834 -2.675 1.00 0.00 C ATOM 627 O ALA A 38 -4.726 7.557 -3.010 1.00 0.00 O ATOM 628 CB ALA A 38 -1.177 7.157 -2.888 1.00 0.00 C ATOM 0 H ALA A 38 -1.131 9.235 -4.138 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.693 6.931 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.406 6.205 -2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.346 7.024 -3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.903 7.888 -2.128 1.00 0.00 H new ATOM 634 N SER A 39 -3.303 8.649 -1.652 1.00 0.00 N ATOM 635 CA SER A 39 -4.266 8.880 -0.590 1.00 0.00 C ATOM 636 C SER A 39 -5.546 9.496 -1.144 1.00 0.00 C ATOM 637 O SER A 39 -6.624 9.305 -0.582 1.00 0.00 O ATOM 638 CB SER A 39 -3.677 9.744 0.521 1.00 0.00 C ATOM 639 OG SER A 39 -3.352 11.039 0.051 1.00 0.00 O ATOM 0 H SER A 39 -2.424 9.155 -1.543 1.00 0.00 H new ATOM 0 HA SER A 39 -4.516 7.913 -0.153 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.391 9.821 1.341 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.783 9.265 0.921 1.00 0.00 H new ATOM 0 HG SER A 39 -2.602 10.980 -0.577 1.00 0.00 H new ATOM 645 N ARG A 40 -5.421 10.114 -2.317 1.00 0.00 N ATOM 646 CA ARG A 40 -6.592 10.600 -3.042 1.00 0.00 C ATOM 647 C ARG A 40 -7.386 9.427 -3.600 1.00 0.00 C ATOM 648 O ARG A 40 -8.571 9.268 -3.319 1.00 0.00 O ATOM 649 CB ARG A 40 -6.271 11.655 -4.075 1.00 0.00 C ATOM 650 CG ARG A 40 -5.985 11.229 -5.504 1.00 0.00 C ATOM 651 CD ARG A 40 -6.407 12.277 -6.484 1.00 0.00 C ATOM 652 NE ARG A 40 -7.839 12.237 -6.739 1.00 0.00 N ATOM 653 CZ ARG A 40 -8.393 11.481 -7.689 1.00 0.00 C ATOM 654 NH1 ARG A 40 -7.653 10.860 -8.603 1.00 0.00 N ATOM 655 NH2 ARG A 40 -9.722 11.390 -7.757 1.00 0.00 N ATOM 0 H ARG A 40 -4.530 10.289 -2.782 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.228 11.123 -2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.108 12.353 -4.102 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.404 12.210 -3.718 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.919 11.030 -5.619 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.508 10.297 -5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.134 13.261 -6.103 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.867 12.136 -7.421 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.450 12.816 -6.163 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.638 10.956 -8.588 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.101 10.288 -9.319 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.303 11.895 -7.088 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.158 10.815 -8.478 1.00 0.00 H new ATOM 669 N GLU A 41 -6.697 8.586 -4.366 1.00 0.00 N ATOM 670 CA GLU A 41 -7.343 7.502 -5.091 1.00 0.00 C ATOM 671 C GLU A 41 -8.002 6.534 -4.111 1.00 0.00 C ATOM 672 O GLU A 41 -9.123 6.077 -4.340 1.00 0.00 O ATOM 673 CB GLU A 41 -6.264 6.798 -5.925 1.00 0.00 C ATOM 674 CG GLU A 41 -6.518 6.035 -7.093 1.00 0.00 C ATOM 675 CD GLU A 41 -7.182 6.738 -8.240 1.00 0.00 C ATOM 676 OE1 GLU A 41 -6.632 7.828 -8.507 1.00 0.00 O ATOM 677 OE2 GLU A 41 -8.199 6.347 -8.785 1.00 0.00 O ATOM 0 H GLU A 41 -5.687 8.637 -4.499 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.127 7.883 -5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.557 7.574 -6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.739 6.133 -5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.569 5.633 -7.447 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.139 5.185 -6.813 1.00 0.00 H new ATOM 684 N LEU A 42 -7.383 6.412 -2.937 1.00 0.00 N ATOM 685 CA LEU A 42 -7.964 5.651 -1.846 1.00 0.00 C ATOM 686 C LEU A 42 -9.297 6.276 -1.419 1.00 0.00 C ATOM 687 O LEU A 42 -10.324 5.597 -1.385 1.00 0.00 O ATOM 688 CB LEU A 42 -6.947 5.640 -0.678 1.00 0.00 C ATOM 689 CG LEU A 42 -7.454 4.951 0.585 1.00 0.00 C ATOM 690 CD1 LEU A 42 -6.710 3.654 0.829 1.00 0.00 C ATOM 691 CD2 LEU A 42 -7.308 5.889 1.771 1.00 0.00 C ATOM 0 H LEU A 42 -6.479 6.833 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.171 4.627 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.036 5.142 -1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.679 6.668 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.508 4.707 0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.090 3.182 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.858 2.985 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.646 3.861 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.671 5.395 2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.258 6.153 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.890 6.793 1.594 1.00 0.00 H new ATOM 703 N GLU A 43 -9.180 7.442 -0.787 1.00 0.00 N ATOM 704 CA GLU A 43 -10.289 8.060 -0.073 1.00 0.00 C ATOM 705 C GLU A 43 -11.458 8.301 -1.037 1.00 0.00 C ATOM 706 O GLU A 43 -12.600 7.949 -0.704 1.00 0.00 O ATOM 707 CB GLU A 43 -9.776 9.396 0.493 1.00 0.00 C ATOM 708 CG GLU A 43 -9.347 10.490 -0.298 1.00 0.00 C ATOM 709 CD GLU A 43 -10.235 11.699 -0.338 1.00 0.00 C ATOM 710 OE1 GLU A 43 -11.345 11.715 -0.839 1.00 0.00 O ATOM 711 OE2 GLU A 43 -9.667 12.716 0.118 1.00 0.00 O ATOM 0 H GLU A 43 -8.315 7.982 -0.757 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.645 7.416 0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.572 9.779 1.132 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.938 9.146 1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.367 10.803 0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.213 10.136 -1.320 1.00 0.00 H new ATOM 718 N ARG A 44 -11.094 8.313 -2.329 1.00 0.00 N ATOM 719 CA ARG A 44 -12.073 8.542 -3.379 1.00 0.00 C ATOM 720 C ARG A 44 -12.507 7.229 -4.020 1.00 0.00 C ATOM 721 O ARG A 44 -13.569 7.156 -4.643 1.00 0.00 O ATOM 722 CB ARG A 44 -11.534 9.492 -4.460 1.00 0.00 C ATOM 723 CG ARG A 44 -11.906 10.953 -4.259 1.00 0.00 C ATOM 724 CD ARG A 44 -13.145 11.315 -5.007 1.00 0.00 C ATOM 725 NE ARG A 44 -14.328 10.678 -4.448 1.00 0.00 N ATOM 726 CZ ARG A 44 -14.980 9.684 -5.056 1.00 0.00 C ATOM 727 NH1 ARG A 44 -14.482 9.083 -6.131 1.00 0.00 N ATOM 728 NH2 ARG A 44 -16.140 9.262 -4.553 1.00 0.00 N ATOM 0 H ARG A 44 -10.140 8.168 -2.659 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.938 9.011 -2.909 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.448 9.408 -4.491 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.907 9.166 -5.431 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.052 11.148 -3.197 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -11.083 11.587 -4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.275 12.397 -4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.036 11.023 -6.051 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.676 11.007 -3.547 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.582 9.379 -6.510 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.999 8.326 -6.578 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -16.520 9.698 -3.713 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -16.648 8.503 -5.008 1.00 0.00 H new ATOM 742 N PHE A 45 -11.757 6.169 -3.742 1.00 0.00 N ATOM 743 CA PHE A 45 -12.238 4.806 -3.957 1.00 0.00 C ATOM 744 C PHE A 45 -13.473 4.547 -3.096 1.00 0.00 C ATOM 745 O PHE A 45 -14.552 4.262 -3.607 1.00 0.00 O ATOM 746 CB PHE A 45 -11.176 3.722 -3.632 1.00 0.00 C ATOM 747 CG PHE A 45 -10.622 3.076 -4.868 1.00 0.00 C ATOM 748 CD1 PHE A 45 -11.413 2.407 -5.803 1.00 0.00 C ATOM 749 CD2 PHE A 45 -9.244 3.171 -5.078 1.00 0.00 C ATOM 750 CE1 PHE A 45 -10.848 1.902 -6.979 1.00 0.00 C ATOM 751 CE2 PHE A 45 -8.661 2.654 -6.224 1.00 0.00 C ATOM 752 CZ PHE A 45 -9.466 2.050 -7.191 1.00 0.00 C ATOM 0 H PHE A 45 -10.810 6.226 -3.366 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.474 4.731 -5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.362 4.173 -3.065 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.623 2.958 -2.995 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -12.469 2.278 -5.617 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -8.624 3.654 -4.337 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -11.465 1.406 -7.714 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.593 2.718 -6.368 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.024 1.693 -8.110 1.00 0.00 H new ATOM 762 N ALA A 46 -13.274 4.613 -1.781 1.00 0.00 N ATOM 763 CA ALA A 46 -14.249 4.047 -0.845 1.00 0.00 C ATOM 764 C ALA A 46 -13.856 4.390 0.592 1.00 0.00 C ATOM 765 O ALA A 46 -14.230 3.677 1.526 1.00 0.00 O ATOM 766 CB ALA A 46 -14.324 2.535 -1.041 1.00 0.00 C ATOM 0 H ALA A 46 -12.461 5.045 -1.343 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.232 4.475 -1.040 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.049 2.113 -0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.632 2.315 -2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.344 2.095 -0.855 1.00 0.00 H new ATOM 772 N VAL A 47 -12.927 5.328 0.726 1.00 0.00 N ATOM 773 CA VAL A 47 -12.110 5.440 1.937 1.00 0.00 C ATOM 774 C VAL A 47 -12.179 6.862 2.477 1.00 0.00 C ATOM 775 O VAL A 47 -12.801 7.741 1.878 1.00 0.00 O ATOM 776 CB VAL A 47 -10.679 4.945 1.656 1.00 0.00 C ATOM 777 CG1 VAL A 47 -9.866 4.753 2.932 1.00 0.00 C ATOM 778 CG2 VAL A 47 -10.672 3.677 0.816 1.00 0.00 C ATOM 0 H VAL A 47 -12.717 6.025 0.012 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.502 4.796 2.724 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.195 5.733 1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.866 4.403 2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.794 5.702 3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.356 4.017 3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.643 3.362 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.208 2.888 1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.160 3.871 -0.139 1.00 0.00 H new ATOM 788 N ASN A 48 -11.542 7.070 3.625 1.00 0.00 N ATOM 789 CA ASN A 48 -11.359 8.401 4.173 1.00 0.00 C ATOM 790 C ASN A 48 -9.854 8.688 4.366 1.00 0.00 C ATOM 791 O ASN A 48 -9.047 7.766 4.573 1.00 0.00 O ATOM 792 CB ASN A 48 -12.191 8.636 5.425 1.00 0.00 C ATOM 793 CG ASN A 48 -11.958 9.995 6.060 1.00 0.00 C ATOM 794 OD1 ASN A 48 -10.821 10.345 6.407 1.00 0.00 O ATOM 795 ND2 ASN A 48 -13.044 10.738 6.277 1.00 0.00 N ATOM 0 H ASN A 48 -11.142 6.324 4.195 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.739 9.128 3.455 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.247 8.537 5.174 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.963 7.859 6.155 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.960 11.639 6.748 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.959 10.405 5.972 1.00 0.00 H new ATOM 802 N PRO A 49 -9.465 9.942 4.045 1.00 0.00 N ATOM 803 CA PRO A 49 -8.036 10.325 3.902 1.00 0.00 C ATOM 804 C PRO A 49 -7.262 10.317 5.214 1.00 0.00 C ATOM 805 O PRO A 49 -6.323 9.542 5.390 1.00 0.00 O ATOM 806 CB PRO A 49 -8.021 11.685 3.212 1.00 0.00 C ATOM 807 CG PRO A 49 -9.409 12.252 3.260 1.00 0.00 C ATOM 808 CD PRO A 49 -10.320 11.088 3.618 1.00 0.00 C ATOM 0 HA PRO A 49 -7.511 9.580 3.304 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.320 12.355 3.709 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.688 11.583 2.179 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.481 13.047 4.002 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.688 12.686 2.300 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -11.003 11.372 4.419 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -10.932 10.807 2.761 1.00 0.00 H new ATOM 816 N GLY A 50 -7.743 11.109 6.167 1.00 0.00 N ATOM 817 CA GLY A 50 -7.219 11.093 7.524 1.00 0.00 C ATOM 818 C GLY A 50 -7.397 9.708 8.147 1.00 0.00 C ATOM 819 O GLY A 50 -6.459 9.176 8.759 1.00 0.00 O ATOM 0 H GLY A 50 -8.502 11.775 6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.163 11.362 7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.734 11.840 8.128 1.00 0.00 H new ATOM 823 N LEU A 51 -8.432 9.021 7.682 1.00 0.00 N ATOM 824 CA LEU A 51 -8.668 7.630 8.053 1.00 0.00 C ATOM 825 C LEU A 51 -7.486 6.763 7.607 1.00 0.00 C ATOM 826 O LEU A 51 -6.886 6.083 8.454 1.00 0.00 O ATOM 827 CB LEU A 51 -10.009 7.217 7.426 1.00 0.00 C ATOM 828 CG LEU A 51 -10.852 6.193 8.154 1.00 0.00 C ATOM 829 CD1 LEU A 51 -12.045 5.762 7.308 1.00 0.00 C ATOM 830 CD2 LEU A 51 -9.996 4.981 8.496 1.00 0.00 C ATOM 0 H LEU A 51 -9.127 9.407 7.043 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.737 7.495 9.132 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.611 8.117 7.303 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.805 6.831 6.427 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.232 6.646 9.069 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.633 5.026 7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.666 6.630 7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.690 5.322 6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.603 4.243 9.021 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.604 4.542 7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.168 5.289 9.134 1.00 0.00 H new ATOM 842 N LEU A 52 -6.841 7.247 6.534 1.00 0.00 N ATOM 843 CA LEU A 52 -5.694 6.527 5.976 1.00 0.00 C ATOM 844 C LEU A 52 -4.397 7.156 6.459 1.00 0.00 C ATOM 845 O LEU A 52 -3.379 6.468 6.589 1.00 0.00 O ATOM 846 CB LEU A 52 -5.891 6.432 4.468 1.00 0.00 C ATOM 847 CG LEU A 52 -4.787 6.823 3.516 1.00 0.00 C ATOM 848 CD1 LEU A 52 -4.486 8.314 3.584 1.00 0.00 C ATOM 849 CD2 LEU A 52 -3.531 6.016 3.829 1.00 0.00 C ATOM 0 H LEU A 52 -7.087 8.110 6.049 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.622 5.499 6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.155 5.398 4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.759 7.043 4.220 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.121 6.603 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.686 8.556 2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.381 8.878 3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.175 8.577 4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.735 6.300 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.215 6.218 4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.745 4.953 3.718 1.00 0.00 H new ATOM 861 N GLU A 53 -4.497 8.395 6.929 1.00 0.00 N ATOM 862 CA GLU A 53 -3.384 9.067 7.583 1.00 0.00 C ATOM 863 C GLU A 53 -2.966 8.294 8.835 1.00 0.00 C ATOM 864 O GLU A 53 -1.777 8.203 9.141 1.00 0.00 O ATOM 865 CB GLU A 53 -3.832 10.489 7.934 1.00 0.00 C ATOM 866 CG GLU A 53 -2.962 11.522 8.373 1.00 0.00 C ATOM 867 CD GLU A 53 -3.458 12.410 9.475 1.00 0.00 C ATOM 868 OE1 GLU A 53 -3.649 11.782 10.538 1.00 0.00 O ATOM 869 OE2 GLU A 53 -3.683 13.602 9.347 1.00 0.00 O ATOM 0 H GLU A 53 -5.346 8.957 6.867 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.518 9.110 6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.335 10.875 7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.591 10.384 8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.030 11.062 8.702 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.722 12.150 7.515 1.00 0.00 H new ATOM 876 N THR A 54 -3.904 7.465 9.303 1.00 0.00 N ATOM 877 CA THR A 54 -3.638 6.581 10.428 1.00 0.00 C ATOM 878 C THR A 54 -3.309 5.175 9.934 1.00 0.00 C ATOM 879 O THR A 54 -3.844 4.729 8.916 1.00 0.00 O ATOM 880 CB THR A 54 -4.845 6.561 11.454 1.00 0.00 C ATOM 881 OG1 THR A 54 -5.882 5.719 10.879 1.00 0.00 O ATOM 882 CG2 THR A 54 -5.356 7.956 11.824 1.00 0.00 C ATOM 0 H THR A 54 -4.846 7.392 8.919 1.00 0.00 H new ATOM 0 HA THR A 54 -2.771 6.969 10.962 1.00 0.00 H new ATOM 0 HB THR A 54 -4.507 6.151 12.406 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.021 5.965 9.941 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.182 7.866 12.530 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.550 8.530 12.281 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.701 8.467 10.925 1.00 0.00 H new ATOM 890 N SER A 55 -2.685 4.395 10.814 1.00 0.00 N ATOM 891 CA SER A 55 -2.560 2.960 10.647 1.00 0.00 C ATOM 892 C SER A 55 -3.925 2.299 10.497 1.00 0.00 C ATOM 893 O SER A 55 -4.174 1.550 9.552 1.00 0.00 O ATOM 894 CB SER A 55 -1.776 2.332 11.801 1.00 0.00 C ATOM 895 OG SER A 55 -2.335 2.685 13.051 1.00 0.00 O ATOM 0 H SER A 55 -2.251 4.749 11.667 1.00 0.00 H new ATOM 0 HA SER A 55 -2.000 2.787 9.728 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.773 1.247 11.694 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.737 2.659 11.759 1.00 0.00 H new ATOM 0 HG SER A 55 -1.816 2.269 13.771 1.00 0.00 H new ATOM 901 N GLU A 56 -4.853 2.703 11.360 1.00 0.00 N ATOM 902 CA GLU A 56 -6.075 1.938 11.570 1.00 0.00 C ATOM 903 C GLU A 56 -6.880 1.853 10.274 1.00 0.00 C ATOM 904 O GLU A 56 -7.099 0.757 9.748 1.00 0.00 O ATOM 905 CB GLU A 56 -6.874 2.641 12.674 1.00 0.00 C ATOM 906 CG GLU A 56 -7.669 1.979 13.644 1.00 0.00 C ATOM 907 CD GLU A 56 -7.525 2.424 15.068 1.00 0.00 C ATOM 908 OE1 GLU A 56 -6.339 2.372 15.461 1.00 0.00 O ATOM 909 OE2 GLU A 56 -8.443 2.839 15.753 1.00 0.00 O ATOM 0 H GLU A 56 -4.782 3.551 11.922 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.845 0.916 11.870 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.153 3.238 13.233 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.539 3.339 12.165 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.715 2.093 13.359 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.441 0.914 13.598 1.00 0.00 H new ATOM 916 N GLY A 57 -7.038 3.008 9.635 1.00 0.00 N ATOM 917 CA GLY A 57 -7.681 3.081 8.332 1.00 0.00 C ATOM 918 C GLY A 57 -6.844 2.353 7.284 1.00 0.00 C ATOM 919 O GLY A 57 -7.344 1.494 6.561 1.00 0.00 O ATOM 0 H GLY A 57 -6.728 3.908 10.002 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.675 2.637 8.385 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.812 4.124 8.042 1.00 0.00 H new ATOM 923 N CYS A 58 -5.536 2.575 7.354 1.00 0.00 N ATOM 924 CA CYS A 58 -4.608 2.003 6.390 1.00 0.00 C ATOM 925 C CYS A 58 -4.660 0.475 6.451 1.00 0.00 C ATOM 926 O CYS A 58 -4.680 -0.187 5.413 1.00 0.00 O ATOM 927 CB CYS A 58 -3.190 2.520 6.618 1.00 0.00 C ATOM 928 SG CYS A 58 -2.153 2.542 5.136 1.00 0.00 S ATOM 0 H CYS A 58 -5.095 3.150 8.072 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.910 2.316 5.391 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.246 3.531 7.022 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.708 1.900 7.374 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.053 3.189 5.385 1.00 0.00 H new ATOM 933 N ARG A 59 -5.081 -0.012 7.623 1.00 0.00 N ATOM 934 CA ARG A 59 -5.279 -1.437 7.831 1.00 0.00 C ATOM 935 C ARG A 59 -6.624 -1.875 7.246 1.00 0.00 C ATOM 936 O ARG A 59 -6.793 -3.042 6.888 1.00 0.00 O ATOM 937 CB ARG A 59 -5.231 -1.812 9.318 1.00 0.00 C ATOM 938 CG ARG A 59 -4.954 -3.284 9.592 1.00 0.00 C ATOM 939 CD ARG A 59 -3.778 -3.464 10.490 1.00 0.00 C ATOM 940 NE ARG A 59 -2.563 -3.767 9.747 1.00 0.00 N ATOM 941 CZ ARG A 59 -2.077 -5.002 9.610 1.00 0.00 C ATOM 942 NH1 ARG A 59 -2.775 -6.070 9.985 1.00 0.00 N ATOM 943 NH2 ARG A 59 -0.884 -5.172 9.037 1.00 0.00 N ATOM 0 H ARG A 59 -5.289 0.565 8.438 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.464 -1.952 7.322 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.461 -1.214 9.805 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.182 -1.543 9.778 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.833 -3.742 10.046 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.776 -3.803 8.650 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.628 -2.557 11.076 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.981 -4.269 11.196 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.058 -2.996 9.309 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.705 -5.956 10.388 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.380 -7.003 9.869 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.355 -4.363 8.710 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.501 -6.111 8.926 1.00 0.00 H new ATOM 957 N GLN A 60 -7.642 -1.065 7.565 1.00 0.00 N ATOM 958 CA GLN A 60 -8.998 -1.356 7.111 1.00 0.00 C ATOM 959 C GLN A 60 -9.042 -1.300 5.575 1.00 0.00 C ATOM 960 O GLN A 60 -9.573 -2.240 4.962 1.00 0.00 O ATOM 961 CB GLN A 60 -10.043 -0.425 7.718 1.00 0.00 C ATOM 962 CG GLN A 60 -11.474 -0.884 7.505 1.00 0.00 C ATOM 963 CD GLN A 60 -12.489 0.023 8.160 1.00 0.00 C ATOM 964 OE1 GLN A 60 -12.939 -0.206 9.278 1.00 0.00 O ATOM 965 NE2 GLN A 60 -12.805 1.112 7.463 1.00 0.00 N ATOM 0 H GLN A 60 -7.551 -0.218 8.126 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.253 -2.358 7.454 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.856 -0.334 8.788 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.923 0.569 7.288 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -11.678 -0.935 6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.589 -1.893 7.900 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.405 1.258 6.536 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -13.447 1.800 7.856 1.00 0.00 H new ATOM 974 N ILE A 61 -8.054 -0.578 5.036 1.00 0.00 N ATOM 975 CA ILE A 61 -7.812 -0.567 3.603 1.00 0.00 C ATOM 976 C ILE A 61 -7.002 -1.782 3.182 1.00 0.00 C ATOM 977 O ILE A 61 -7.514 -2.690 2.525 1.00 0.00 O ATOM 978 CB ILE A 61 -7.175 0.788 3.143 1.00 0.00 C ATOM 979 CG1 ILE A 61 -8.094 1.979 3.501 1.00 0.00 C ATOM 980 CG2 ILE A 61 -6.772 0.777 1.648 1.00 0.00 C ATOM 981 CD1 ILE A 61 -9.604 1.784 3.245 1.00 0.00 C ATOM 0 H ILE A 61 -7.413 0.004 5.576 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.770 -0.639 3.088 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.245 0.916 3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.954 2.213 4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.761 2.849 2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.336 1.740 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.041 -0.013 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.655 0.596 1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -10.142 2.687 3.535 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.771 1.587 2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.967 0.941 3.833 1.00 0.00 H new ATOM 993 N LEU A 62 -5.780 -1.877 3.698 1.00 0.00 N ATOM 994 CA LEU A 62 -4.797 -2.815 3.177 1.00 0.00 C ATOM 995 C LEU A 62 -5.328 -4.255 3.298 1.00 0.00 C ATOM 996 O LEU A 62 -5.179 -5.028 2.340 1.00 0.00 O ATOM 997 CB LEU A 62 -3.486 -2.598 3.947 1.00 0.00 C ATOM 998 CG LEU A 62 -2.192 -2.974 3.253 1.00 0.00 C ATOM 999 CD1 LEU A 62 -2.123 -2.405 1.845 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -1.024 -2.446 4.086 1.00 0.00 C ATOM 0 H LEU A 62 -5.448 -1.312 4.480 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.608 -2.646 2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.427 -1.544 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.545 -3.164 4.877 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.142 -4.059 3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.181 -2.696 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.954 -2.792 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.185 -1.318 1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.084 -2.708 3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.099 -1.362 4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.056 -2.891 5.080 1.00 0.00 H new ATOM 1012 N GLY A 63 -6.362 -4.373 4.137 1.00 0.00 N ATOM 1013 CA GLY A 63 -7.099 -5.617 4.273 1.00 0.00 C ATOM 1014 C GLY A 63 -8.153 -5.745 3.181 1.00 0.00 C ATOM 1015 O GLY A 63 -8.231 -6.759 2.490 1.00 0.00 O ATOM 0 H GLY A 63 -6.702 -3.616 4.730 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.410 -6.460 4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.577 -5.656 5.252 1.00 0.00 H new ATOM 1019 N GLN A 64 -9.011 -4.734 3.094 1.00 0.00 N ATOM 1020 CA GLN A 64 -10.075 -4.704 2.108 1.00 0.00 C ATOM 1021 C GLN A 64 -9.511 -4.649 0.689 1.00 0.00 C ATOM 1022 O GLN A 64 -10.266 -4.702 -0.284 1.00 0.00 O ATOM 1023 CB GLN A 64 -11.064 -3.555 2.342 1.00 0.00 C ATOM 1024 CG GLN A 64 -12.517 -3.964 2.198 1.00 0.00 C ATOM 1025 CD GLN A 64 -13.463 -3.066 2.958 1.00 0.00 C ATOM 1026 OE1 GLN A 64 -14.399 -3.513 3.614 1.00 0.00 O ATOM 1027 NE2 GLN A 64 -13.248 -1.760 2.806 1.00 0.00 N ATOM 0 H GLN A 64 -8.985 -3.917 3.704 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.632 -5.634 2.225 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.907 -3.150 3.342 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.850 -2.753 1.636 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.788 -3.956 1.142 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.636 -4.989 2.550 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.456 -1.435 2.251 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.875 -1.085 3.244 1.00 0.00 H new ATOM 1036 N LEU A 65 -8.224 -4.336 0.585 1.00 0.00 N ATOM 1037 CA LEU A 65 -7.658 -3.788 -0.647 1.00 0.00 C ATOM 1038 C LEU A 65 -6.862 -4.868 -1.377 1.00 0.00 C ATOM 1039 O LEU A 65 -7.118 -5.132 -2.556 1.00 0.00 O ATOM 1040 CB LEU A 65 -6.826 -2.555 -0.272 1.00 0.00 C ATOM 1041 CG LEU A 65 -6.428 -1.614 -1.398 1.00 0.00 C ATOM 1042 CD1 LEU A 65 -7.608 -0.765 -1.846 1.00 0.00 C ATOM 1043 CD2 LEU A 65 -5.292 -0.724 -0.905 1.00 0.00 C ATOM 0 H LEU A 65 -7.549 -4.452 1.341 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.433 -3.470 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.387 -1.981 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.915 -2.899 0.218 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.101 -2.198 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.294 -0.102 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.409 -1.414 -2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.968 -0.170 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.993 -0.042 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.628 -0.150 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.442 -1.344 -0.620 1.00 0.00 H new ATOM 1055 N GLN A 66 -6.243 -5.742 -0.575 1.00 0.00 N ATOM 1056 CA GLN A 66 -5.444 -6.830 -1.106 1.00 0.00 C ATOM 1057 C GLN A 66 -6.333 -7.753 -1.983 1.00 0.00 C ATOM 1058 O GLN A 66 -6.224 -7.714 -3.226 1.00 0.00 O ATOM 1059 CB GLN A 66 -4.750 -7.655 -0.025 1.00 0.00 C ATOM 1060 CG GLN A 66 -3.237 -7.639 -0.116 1.00 0.00 C ATOM 1061 CD GLN A 66 -2.632 -9.020 -0.162 1.00 0.00 C ATOM 1062 OE1 GLN A 66 -1.709 -9.303 -0.921 1.00 0.00 O ATOM 1063 NE2 GLN A 66 -3.140 -9.889 0.710 1.00 0.00 N ATOM 0 H GLN A 66 -6.286 -5.709 0.444 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.656 -6.376 -1.707 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.049 -7.279 0.953 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.097 -8.686 -0.090 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.939 -7.088 -1.008 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.833 -7.100 0.741 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.907 -9.609 1.321 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.762 -10.835 0.767 1.00 0.00 H new ATOM 1072 N PRO A 67 -7.449 -8.202 -1.370 1.00 0.00 N ATOM 1073 CA PRO A 67 -8.604 -8.767 -2.119 1.00 0.00 C ATOM 1074 C PRO A 67 -9.076 -7.874 -3.264 1.00 0.00 C ATOM 1075 O PRO A 67 -9.126 -8.288 -4.422 1.00 0.00 O ATOM 1076 CB PRO A 67 -9.691 -9.048 -1.094 1.00 0.00 C ATOM 1077 CG PRO A 67 -9.277 -8.457 0.222 1.00 0.00 C ATOM 1078 CD PRO A 67 -7.802 -8.114 0.076 1.00 0.00 C ATOM 0 HA PRO A 67 -8.311 -9.688 -2.624 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.638 -8.618 -1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.847 -10.122 -0.993 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.864 -7.568 0.454 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.435 -9.165 1.036 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.604 -7.112 0.456 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.191 -8.802 0.660 1.00 0.00 H new ATOM 1086 N SER A 68 -9.322 -6.611 -2.927 1.00 0.00 N ATOM 1087 CA SER A 68 -10.010 -5.702 -3.828 1.00 0.00 C ATOM 1088 C SER A 68 -9.135 -5.327 -5.014 1.00 0.00 C ATOM 1089 O SER A 68 -9.565 -4.590 -5.904 1.00 0.00 O ATOM 1090 CB SER A 68 -10.510 -4.460 -3.095 1.00 0.00 C ATOM 1091 OG SER A 68 -11.734 -4.712 -2.430 1.00 0.00 O ATOM 0 H SER A 68 -9.053 -6.197 -2.034 1.00 0.00 H new ATOM 0 HA SER A 68 -10.883 -6.228 -4.216 1.00 0.00 H new ATOM 0 HB2 SER A 68 -9.761 -4.136 -2.372 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.641 -3.644 -3.806 1.00 0.00 H new ATOM 0 HG SER A 68 -11.576 -4.769 -1.465 1.00 0.00 H new ATOM 1097 N LEU A 69 -7.878 -5.751 -4.961 1.00 0.00 N ATOM 1098 CA LEU A 69 -6.928 -5.475 -6.028 1.00 0.00 C ATOM 1099 C LEU A 69 -7.266 -6.312 -7.264 1.00 0.00 C ATOM 1100 O LEU A 69 -7.460 -5.739 -8.345 1.00 0.00 O ATOM 1101 CB LEU A 69 -5.514 -5.719 -5.479 1.00 0.00 C ATOM 1102 CG LEU A 69 -5.024 -4.747 -4.417 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -3.691 -5.187 -3.835 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -4.894 -3.362 -5.046 1.00 0.00 C ATOM 0 H LEU A 69 -7.493 -6.290 -4.185 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.982 -4.437 -6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.478 -6.726 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.814 -5.694 -6.314 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.744 -4.723 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.370 -4.470 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.800 -6.171 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.946 -5.236 -4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.543 -2.653 -4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.181 -3.402 -5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.865 -3.041 -5.423 1.00 0.00 H new ATOM 1116 N GLN A 70 -7.795 -7.506 -6.990 1.00 0.00 N ATOM 1117 CA GLN A 70 -8.353 -8.354 -8.033 1.00 0.00 C ATOM 1118 C GLN A 70 -9.531 -7.658 -8.708 1.00 0.00 C ATOM 1119 O GLN A 70 -9.998 -8.087 -9.760 1.00 0.00 O ATOM 1120 CB GLN A 70 -8.725 -9.751 -7.544 1.00 0.00 C ATOM 1121 CG GLN A 70 -9.965 -9.812 -6.676 1.00 0.00 C ATOM 1122 CD GLN A 70 -9.831 -10.767 -5.515 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -8.737 -11.154 -5.114 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -10.978 -11.129 -4.944 1.00 0.00 N ATOM 0 H GLN A 70 -7.846 -7.904 -6.052 1.00 0.00 H new ATOM 0 HA GLN A 70 -7.567 -8.507 -8.772 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.873 -10.396 -8.410 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.885 -10.159 -6.982 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -10.183 -8.815 -6.294 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.815 -10.112 -7.289 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.863 -10.782 -5.313 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.971 -11.754 -4.138 1.00 0.00 H new ATOM 1133 N THR A 71 -10.064 -6.648 -8.027 1.00 0.00 N ATOM 1134 CA THR A 71 -11.344 -6.060 -8.403 1.00 0.00 C ATOM 1135 C THR A 71 -11.162 -4.610 -8.840 1.00 0.00 C ATOM 1136 O THR A 71 -12.095 -3.985 -9.348 1.00 0.00 O ATOM 1137 CB THR A 71 -12.409 -6.182 -7.240 1.00 0.00 C ATOM 1138 OG1 THR A 71 -12.077 -5.153 -6.256 1.00 0.00 O ATOM 1139 CG2 THR A 71 -12.468 -7.573 -6.604 1.00 0.00 C ATOM 0 H THR A 71 -9.628 -6.220 -7.211 1.00 0.00 H new ATOM 0 HA THR A 71 -11.733 -6.624 -9.251 1.00 0.00 H new ATOM 0 HB THR A 71 -13.408 -6.034 -7.650 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.124 -4.935 -6.319 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.220 -7.581 -5.815 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.731 -8.309 -7.363 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.495 -7.821 -6.180 1.00 0.00 H new ATOM 1147 N GLY A 72 -10.059 -4.022 -8.389 1.00 0.00 N ATOM 1148 CA GLY A 72 -9.834 -2.590 -8.504 1.00 0.00 C ATOM 1149 C GLY A 72 -9.084 -2.277 -9.794 1.00 0.00 C ATOM 1150 O GLY A 72 -9.668 -1.859 -10.789 1.00 0.00 O ATOM 0 H GLY A 72 -9.298 -4.526 -7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.788 -2.063 -8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.262 -2.234 -7.647 1.00 0.00 H new ATOM 1154 N SER A 73 -7.764 -2.447 -9.737 1.00 0.00 N ATOM 1155 CA SER A 73 -6.928 -2.363 -10.927 1.00 0.00 C ATOM 1156 C SER A 73 -5.462 -2.605 -10.550 1.00 0.00 C ATOM 1157 O SER A 73 -5.089 -2.419 -9.389 1.00 0.00 O ATOM 1158 CB SER A 73 -7.088 -1.030 -11.646 1.00 0.00 C ATOM 1159 OG SER A 73 -6.964 0.060 -10.750 1.00 0.00 O ATOM 0 H SER A 73 -7.253 -2.644 -8.877 1.00 0.00 H new ATOM 0 HA SER A 73 -7.254 -3.138 -11.621 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.336 -0.945 -12.430 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.062 -0.993 -12.134 1.00 0.00 H new ATOM 0 HG SER A 73 -7.624 0.748 -10.978 1.00 0.00 H new ATOM 1165 N GLU A 74 -4.621 -2.700 -11.574 1.00 0.00 N ATOM 1166 CA GLU A 74 -3.185 -2.476 -11.421 1.00 0.00 C ATOM 1167 C GLU A 74 -2.928 -1.047 -10.941 1.00 0.00 C ATOM 1168 O GLU A 74 -1.945 -0.792 -10.243 1.00 0.00 O ATOM 1169 CB GLU A 74 -2.532 -2.732 -12.783 1.00 0.00 C ATOM 1170 CG GLU A 74 -1.246 -3.303 -12.969 1.00 0.00 C ATOM 1171 CD GLU A 74 -1.034 -4.123 -14.207 1.00 0.00 C ATOM 1172 OE1 GLU A 74 -1.794 -4.996 -14.588 1.00 0.00 O ATOM 1173 OE2 GLU A 74 0.050 -3.856 -14.769 1.00 0.00 O ATOM 0 H GLU A 74 -4.909 -2.932 -12.525 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.760 -3.149 -10.676 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.225 -3.367 -13.334 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.509 -1.768 -13.291 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.514 -2.495 -12.969 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.027 -3.931 -12.106 1.00 0.00 H new ATOM 1180 N GLU A 75 -3.990 -0.242 -11.013 1.00 0.00 N ATOM 1181 CA GLU A 75 -3.934 1.137 -10.550 1.00 0.00 C ATOM 1182 C GLU A 75 -4.209 1.212 -9.054 1.00 0.00 C ATOM 1183 O GLU A 75 -3.637 2.039 -8.347 1.00 0.00 O ATOM 1184 CB GLU A 75 -4.973 1.935 -11.349 1.00 0.00 C ATOM 1185 CG GLU A 75 -5.285 1.712 -12.714 1.00 0.00 C ATOM 1186 CD GLU A 75 -5.214 2.894 -13.636 1.00 0.00 C ATOM 1187 OE1 GLU A 75 -4.049 3.333 -13.750 1.00 0.00 O ATOM 1188 OE2 GLU A 75 -6.182 3.404 -14.172 1.00 0.00 O ATOM 0 H GLU A 75 -4.896 -0.525 -11.388 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.940 1.556 -10.709 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.912 1.835 -10.805 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.672 2.980 -11.276 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.609 0.946 -13.094 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.294 1.302 -12.767 1.00 0.00 H new ATOM 1195 N LEU A 76 -5.053 0.301 -8.572 1.00 0.00 N ATOM 1196 CA LEU A 76 -5.167 0.046 -7.144 1.00 0.00 C ATOM 1197 C LEU A 76 -3.843 -0.515 -6.606 1.00 0.00 C ATOM 1198 O LEU A 76 -3.702 -0.646 -5.382 1.00 0.00 O ATOM 1199 CB LEU A 76 -6.360 -0.877 -6.896 1.00 0.00 C ATOM 1200 CG LEU A 76 -7.419 -0.473 -5.895 1.00 0.00 C ATOM 1201 CD1 LEU A 76 -8.297 -1.668 -5.522 1.00 0.00 C ATOM 1202 CD2 LEU A 76 -6.774 0.091 -4.634 1.00 0.00 C ATOM 0 H LEU A 76 -5.666 -0.271 -9.153 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.354 0.971 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.858 -1.032 -7.853 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.965 -1.843 -6.582 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.040 0.294 -6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.052 -1.354 -4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.787 -2.052 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.679 -2.451 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.551 0.377 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.132 -0.666 -4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.177 0.966 -4.891 1.00 0.00 H new ATOM 1214 N ARG A 77 -3.175 -1.270 -7.477 1.00 0.00 N ATOM 1215 CA ARG A 77 -1.952 -1.964 -7.104 1.00 0.00 C ATOM 1216 C ARG A 77 -0.854 -0.955 -6.764 1.00 0.00 C ATOM 1217 O ARG A 77 -0.236 -1.042 -5.702 1.00 0.00 O ATOM 1218 CB ARG A 77 -1.465 -2.903 -8.214 1.00 0.00 C ATOM 1219 CG ARG A 77 -0.528 -4.008 -7.745 1.00 0.00 C ATOM 1220 CD ARG A 77 0.896 -3.688 -8.049 1.00 0.00 C ATOM 1221 NE ARG A 77 1.542 -4.739 -8.821 1.00 0.00 N ATOM 1222 CZ ARG A 77 1.789 -5.958 -8.337 1.00 0.00 C ATOM 1223 NH1 ARG A 77 1.627 -6.238 -7.047 1.00 0.00 N ATOM 1224 NH2 ARG A 77 2.256 -6.901 -9.155 1.00 0.00 N ATOM 0 H ARG A 77 -3.463 -1.414 -8.445 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.177 -2.571 -6.227 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.332 -3.359 -8.692 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.956 -2.311 -8.975 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.647 -4.155 -6.672 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.801 -4.946 -8.228 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.946 -2.750 -8.602 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.440 -3.538 -7.117 1.00 0.00 H new ATOM 0 HE ARG A 77 1.820 -4.534 -9.781 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.307 -5.513 -6.404 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.822 -7.177 -6.701 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.421 -6.687 -10.139 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.449 -7.837 -8.797 1.00 0.00 H new ATOM 1238 N SER A 78 -0.831 0.131 -7.530 1.00 0.00 N ATOM 1239 CA SER A 78 -0.077 1.322 -7.166 1.00 0.00 C ATOM 1240 C SER A 78 -0.582 1.885 -5.838 1.00 0.00 C ATOM 1241 O SER A 78 0.173 1.956 -4.866 1.00 0.00 O ATOM 1242 CB SER A 78 -0.127 2.376 -8.264 1.00 0.00 C ATOM 1243 OG SER A 78 1.160 2.632 -8.798 1.00 0.00 O ATOM 0 H SER A 78 -1.332 0.209 -8.415 1.00 0.00 H new ATOM 0 HA SER A 78 0.967 1.035 -7.045 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.792 2.042 -9.060 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.546 3.299 -7.864 1.00 0.00 H new ATOM 0 HG SER A 78 1.093 3.311 -9.501 1.00 0.00 H new ATOM 1249 N LEU A 79 -1.907 1.939 -5.725 1.00 0.00 N ATOM 1250 CA LEU A 79 -2.555 2.380 -4.498 1.00 0.00 C ATOM 1251 C LEU A 79 -2.187 1.454 -3.341 1.00 0.00 C ATOM 1252 O LEU A 79 -2.307 1.823 -2.175 1.00 0.00 O ATOM 1253 CB LEU A 79 -4.064 2.463 -4.768 1.00 0.00 C ATOM 1254 CG LEU A 79 -4.887 3.417 -3.929 1.00 0.00 C ATOM 1255 CD1 LEU A 79 -4.202 4.765 -3.757 1.00 0.00 C ATOM 1256 CD2 LEU A 79 -6.243 3.613 -4.608 1.00 0.00 C ATOM 0 H LEU A 79 -2.552 1.682 -6.472 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.212 3.369 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.201 2.736 -5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.481 1.464 -4.642 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.007 2.986 -2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.829 5.417 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.240 4.624 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.046 5.221 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.850 4.298 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.094 4.028 -5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.753 2.653 -4.687 1.00 0.00 H new ATOM 1268 N TYR A 80 -1.857 0.216 -3.689 1.00 0.00 N ATOM 1269 CA TYR A 80 -1.688 -0.844 -2.702 1.00 0.00 C ATOM 1270 C TYR A 80 -0.308 -0.733 -2.056 1.00 0.00 C ATOM 1271 O TYR A 80 -0.178 -0.861 -0.838 1.00 0.00 O ATOM 1272 CB TYR A 80 -1.904 -2.229 -3.338 1.00 0.00 C ATOM 1273 CG TYR A 80 -1.600 -3.405 -2.438 1.00 0.00 C ATOM 1274 CD1 TYR A 80 -2.451 -3.755 -1.386 1.00 0.00 C ATOM 1275 CD2 TYR A 80 -0.395 -4.096 -2.563 1.00 0.00 C ATOM 1276 CE1 TYR A 80 -2.184 -4.870 -0.587 1.00 0.00 C ATOM 1277 CE2 TYR A 80 -0.060 -5.132 -1.700 1.00 0.00 C ATOM 1278 CZ TYR A 80 -0.947 -5.504 -0.699 1.00 0.00 C ATOM 1279 OH TYR A 80 -0.534 -6.449 0.203 1.00 0.00 O ATOM 0 H TYR A 80 -1.700 -0.080 -4.653 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.442 -0.727 -1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.941 -2.302 -3.667 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.281 -2.303 -4.229 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.327 -3.155 -1.188 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.293 -3.820 -3.348 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.926 -5.236 0.108 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.884 -5.645 -1.807 1.00 0.00 H new ATOM 0 HH TYR A 80 0.102 -7.057 -0.229 1.00 0.00 H new ATOM 1289 N ASN A 81 0.624 -0.173 -2.831 1.00 0.00 N ATOM 1290 CA ASN A 81 1.978 0.045 -2.346 1.00 0.00 C ATOM 1291 C ASN A 81 2.049 1.320 -1.512 1.00 0.00 C ATOM 1292 O ASN A 81 2.576 1.317 -0.401 1.00 0.00 O ATOM 1293 CB ASN A 81 3.012 -0.045 -3.456 1.00 0.00 C ATOM 1294 CG ASN A 81 2.823 0.986 -4.564 1.00 0.00 C ATOM 1295 OD1 ASN A 81 2.681 2.196 -4.236 1.00 0.00 O ATOM 1296 ND2 ASN A 81 3.370 0.658 -5.741 1.00 0.00 N ATOM 0 H ASN A 81 0.462 0.134 -3.790 1.00 0.00 H new ATOM 0 HA ASN A 81 2.243 -0.771 -1.673 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.005 0.078 -3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.976 -1.043 -3.892 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.677 1.389 -6.382 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.480 -0.323 -5.996 1.00 0.00 H new ATOM 1303 N THR A 82 1.374 2.358 -1.998 1.00 0.00 N ATOM 1304 CA THR A 82 1.447 3.669 -1.376 1.00 0.00 C ATOM 1305 C THR A 82 0.684 3.655 -0.043 1.00 0.00 C ATOM 1306 O THR A 82 1.279 4.020 0.982 1.00 0.00 O ATOM 1307 CB THR A 82 0.902 4.818 -2.314 1.00 0.00 C ATOM 1308 OG1 THR A 82 0.340 4.211 -3.499 1.00 0.00 O ATOM 1309 CG2 THR A 82 1.933 5.906 -2.620 1.00 0.00 C ATOM 0 H THR A 82 0.772 2.313 -2.820 1.00 0.00 H new ATOM 0 HA THR A 82 2.500 3.887 -1.194 1.00 0.00 H new ATOM 0 HB THR A 82 0.119 5.360 -1.784 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.005 4.910 -4.093 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.486 6.659 -3.269 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.255 6.374 -1.690 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.794 5.461 -3.120 1.00 0.00 H new ATOM 1317 N ILE A 83 -0.343 2.811 -0.012 1.00 0.00 N ATOM 1318 CA ILE A 83 -0.977 2.415 1.252 1.00 0.00 C ATOM 1319 C ILE A 83 0.032 1.687 2.121 1.00 0.00 C ATOM 1320 O ILE A 83 0.325 2.111 3.240 1.00 0.00 O ATOM 1321 CB ILE A 83 -2.316 1.673 0.975 1.00 0.00 C ATOM 1322 CG1 ILE A 83 -3.464 2.748 0.929 1.00 0.00 C ATOM 1323 CG2 ILE A 83 -2.697 0.536 1.941 1.00 0.00 C ATOM 1324 CD1 ILE A 83 -3.675 3.447 2.294 1.00 0.00 C ATOM 0 H ILE A 83 -0.757 2.386 -0.842 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.275 3.283 1.841 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.174 1.157 0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.226 3.497 0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.394 2.269 0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.650 0.104 1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.926 -0.234 1.919 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.786 0.932 2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.478 4.179 2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.941 2.704 3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.755 3.951 2.591 1.00 0.00 H new ATOM 1336 N ALA A 84 0.555 0.577 1.605 1.00 0.00 N ATOM 1337 CA ALA A 84 1.282 -0.375 2.433 1.00 0.00 C ATOM 1338 C ALA A 84 2.540 0.287 3.009 1.00 0.00 C ATOM 1339 O ALA A 84 2.609 0.403 4.255 1.00 0.00 O ATOM 1340 CB ALA A 84 1.615 -1.640 1.665 1.00 0.00 C ATOM 0 H ALA A 84 0.488 0.318 0.621 1.00 0.00 H new ATOM 0 HA ALA A 84 0.641 -0.673 3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.157 -2.328 2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.693 -2.113 1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.234 -1.390 0.803 1.00 0.00 H new ATOM 1346 N VAL A 85 3.121 1.174 2.197 1.00 0.00 N ATOM 1347 CA VAL A 85 4.179 2.061 2.669 1.00 0.00 C ATOM 1348 C VAL A 85 3.645 2.958 3.784 1.00 0.00 C ATOM 1349 O VAL A 85 4.326 3.151 4.795 1.00 0.00 O ATOM 1350 CB VAL A 85 4.846 2.802 1.503 1.00 0.00 C ATOM 1351 CG1 VAL A 85 5.769 3.937 1.948 1.00 0.00 C ATOM 1352 CG2 VAL A 85 5.600 1.843 0.586 1.00 0.00 C ATOM 0 H VAL A 85 2.876 1.294 1.214 1.00 0.00 H new ATOM 0 HA VAL A 85 4.985 1.478 3.114 1.00 0.00 H new ATOM 0 HB VAL A 85 4.027 3.258 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.206 4.416 1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.196 4.671 2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.564 3.534 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.059 2.404 -0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.375 1.329 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.905 1.110 0.175 1.00 0.00 H new ATOM 1362 N LEU A 86 2.595 3.708 3.461 1.00 0.00 N ATOM 1363 CA LEU A 86 2.036 4.682 4.379 1.00 0.00 C ATOM 1364 C LEU A 86 1.569 3.993 5.673 1.00 0.00 C ATOM 1365 O LEU A 86 1.768 4.546 6.759 1.00 0.00 O ATOM 1366 CB LEU A 86 0.925 5.459 3.669 1.00 0.00 C ATOM 1367 CG LEU A 86 0.647 6.879 4.130 1.00 0.00 C ATOM 1368 CD1 LEU A 86 1.929 7.671 4.337 1.00 0.00 C ATOM 1369 CD2 LEU A 86 -0.222 7.569 3.079 1.00 0.00 C ATOM 0 H LEU A 86 2.115 3.655 2.563 1.00 0.00 H new ATOM 0 HA LEU A 86 2.796 5.403 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.167 5.493 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.002 4.888 3.768 1.00 0.00 H new ATOM 0 HG LEU A 86 0.133 6.837 5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.684 8.681 4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.541 7.181 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.482 7.720 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.432 8.591 3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.304 7.584 2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.159 7.024 2.967 1.00 0.00 H new ATOM 1381 N TYR A 87 1.477 2.659 5.557 1.00 0.00 N ATOM 1382 CA TYR A 87 1.278 1.805 6.712 1.00 0.00 C ATOM 1383 C TYR A 87 2.594 1.561 7.445 1.00 0.00 C ATOM 1384 O TYR A 87 2.727 1.986 8.605 1.00 0.00 O ATOM 1385 CB TYR A 87 0.592 0.477 6.341 1.00 0.00 C ATOM 1386 CG TYR A 87 -0.050 -0.208 7.554 1.00 0.00 C ATOM 1387 CD1 TYR A 87 0.730 -0.483 8.685 1.00 0.00 C ATOM 1388 CD2 TYR A 87 -1.434 -0.119 7.727 1.00 0.00 C ATOM 1389 CE1 TYR A 87 0.139 -0.878 9.885 1.00 0.00 C ATOM 1390 CE2 TYR A 87 -2.038 -0.448 8.937 1.00 0.00 C ATOM 1391 CZ TYR A 87 -1.250 -0.861 10.002 1.00 0.00 C ATOM 1392 OH TYR A 87 -1.878 -1.210 11.166 1.00 0.00 O ATOM 0 H TYR A 87 1.539 2.159 4.670 1.00 0.00 H new ATOM 0 HA TYR A 87 0.605 2.331 7.389 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.172 0.664 5.586 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.325 -0.195 5.893 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.804 -0.388 8.627 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.049 0.213 6.903 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.752 -1.194 10.716 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.110 -0.382 9.046 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.300 -0.993 11.927 1.00 0.00 H new ATOM 1402 N CYS A 88 3.643 1.306 6.670 1.00 0.00 N ATOM 1403 CA CYS A 88 5.003 1.231 7.170 1.00 0.00 C ATOM 1404 C CYS A 88 5.383 2.517 7.919 1.00 0.00 C ATOM 1405 O CYS A 88 5.648 2.484 9.121 1.00 0.00 O ATOM 1406 CB CYS A 88 5.983 1.014 6.007 1.00 0.00 C ATOM 1407 SG CYS A 88 6.732 -0.614 5.901 1.00 0.00 S ATOM 0 H CYS A 88 3.567 1.144 5.666 1.00 0.00 H new ATOM 0 HA CYS A 88 5.062 0.390 7.861 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.457 1.211 5.073 1.00 0.00 H new ATOM 0 HB3 CYS A 88 6.779 1.754 6.086 1.00 0.00 H new ATOM 0 HG CYS A 88 6.601 -1.074 4.692 1.00 0.00 H new ATOM 1412 N VAL A 89 5.062 3.638 7.284 1.00 0.00 N ATOM 1413 CA VAL A 89 5.484 4.938 7.789 1.00 0.00 C ATOM 1414 C VAL A 89 4.722 5.253 9.080 1.00 0.00 C ATOM 1415 O VAL A 89 5.345 5.285 10.161 1.00 0.00 O ATOM 1416 CB VAL A 89 5.331 6.017 6.702 1.00 0.00 C ATOM 1417 CG1 VAL A 89 6.075 7.303 7.041 1.00 0.00 C ATOM 1418 CG2 VAL A 89 5.741 5.507 5.327 1.00 0.00 C ATOM 0 H VAL A 89 4.515 3.673 6.424 1.00 0.00 H new ATOM 0 HA VAL A 89 6.545 4.921 8.040 1.00 0.00 H new ATOM 0 HB VAL A 89 4.268 6.255 6.670 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.932 8.028 6.240 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.688 7.712 7.974 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.138 7.090 7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.616 6.302 4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.785 5.195 5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.115 4.658 5.052 1.00 0.00 H new ATOM 1428 N HIS A 90 3.416 4.990 9.021 1.00 0.00 N ATOM 1429 CA HIS A 90 2.554 5.205 10.175 1.00 0.00 C ATOM 1430 C HIS A 90 2.918 4.218 11.288 1.00 0.00 C ATOM 1431 O HIS A 90 2.443 4.352 12.415 1.00 0.00 O ATOM 1432 CB HIS A 90 1.045 5.073 9.868 1.00 0.00 C ATOM 1433 CG HIS A 90 0.558 6.095 8.883 1.00 0.00 C ATOM 1434 ND1 HIS A 90 1.135 7.325 8.699 1.00 0.00 N ATOM 1435 CD2 HIS A 90 -0.364 5.961 7.895 1.00 0.00 C ATOM 1436 CE1 HIS A 90 0.576 7.915 7.652 1.00 0.00 C ATOM 1437 NE2 HIS A 90 -0.388 7.142 7.201 1.00 0.00 N ATOM 0 H HIS A 90 2.939 4.631 8.194 1.00 0.00 H new ATOM 0 HA HIS A 90 2.726 6.236 10.485 1.00 0.00 H new ATOM 0 HB2 HIS A 90 0.845 4.075 9.478 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.481 5.172 10.795 1.00 0.00 H new ATOM 0 HD1 HIS A 90 1.876 7.723 9.276 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -0.966 5.087 7.694 1.00 0.00 H new ATOM 0 HE1 HIS A 90 0.864 8.870 7.238 1.00 0.00 H new ATOM 1446 N GLN A 91 3.510 3.101 10.876 1.00 0.00 N ATOM 1447 CA GLN A 91 3.626 1.926 11.722 1.00 0.00 C ATOM 1448 C GLN A 91 4.960 1.877 12.446 1.00 0.00 C ATOM 1449 O GLN A 91 5.172 1.000 13.287 1.00 0.00 O ATOM 1450 CB GLN A 91 3.372 0.620 10.956 1.00 0.00 C ATOM 1451 CG GLN A 91 3.425 -0.622 11.816 1.00 0.00 C ATOM 1452 CD GLN A 91 2.488 -0.569 12.999 1.00 0.00 C ATOM 1453 OE1 GLN A 91 1.272 -0.461 12.861 1.00 0.00 O ATOM 1454 NE2 GLN A 91 3.065 -0.757 14.184 1.00 0.00 N ATOM 0 H GLN A 91 3.920 2.989 9.949 1.00 0.00 H new ATOM 0 HA GLN A 91 2.841 2.018 12.472 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.394 0.676 10.478 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.111 0.529 10.160 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.178 -1.490 11.204 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.444 -0.764 12.175 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.079 -0.841 14.250 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.493 -0.817 15.026 1.00 0.00 H new ATOM 1463 N ARG A 92 5.806 2.868 12.209 1.00 0.00 N ATOM 1464 CA ARG A 92 7.162 2.898 12.697 1.00 0.00 C ATOM 1465 C ARG A 92 8.086 2.012 11.849 1.00 0.00 C ATOM 1466 O ARG A 92 9.206 1.705 12.290 1.00 0.00 O ATOM 1467 CB ARG A 92 7.315 2.520 14.174 1.00 0.00 C ATOM 1468 CG ARG A 92 6.368 3.225 15.124 1.00 0.00 C ATOM 1469 CD ARG A 92 6.431 4.709 14.974 1.00 0.00 C ATOM 1470 NE ARG A 92 5.111 5.299 14.807 1.00 0.00 N ATOM 1471 CZ ARG A 92 4.116 5.128 15.681 1.00 0.00 C ATOM 1472 NH1 ARG A 92 4.317 4.544 16.857 1.00 0.00 N ATOM 1473 NH2 ARG A 92 2.896 5.568 15.371 1.00 0.00 N ATOM 0 H ARG A 92 5.556 3.689 11.658 1.00 0.00 H new ATOM 0 HA ARG A 92 7.458 3.943 12.606 1.00 0.00 H new ATOM 0 HB2 ARG A 92 7.170 1.444 14.274 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.338 2.733 14.483 1.00 0.00 H new ATOM 0 HG2 ARG A 92 5.349 2.885 14.940 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.614 2.953 16.150 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.913 5.141 15.851 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.051 4.960 14.114 1.00 0.00 H new ATOM 0 HE ARG A 92 4.937 5.872 13.981 1.00 0.00 H new ATOM 0 HH11 ARG A 92 5.248 4.214 17.110 1.00 0.00 H new ATOM 0 HH12 ARG A 92 3.540 4.425 17.507 1.00 0.00 H new ATOM 0 HH21 ARG A 92 2.732 6.028 14.476 1.00 0.00 H new ATOM 0 HH22 ARG A 92 2.127 5.444 16.029 1.00 0.00 H new ATOM 1487 N ILE A 93 7.853 2.098 10.535 1.00 0.00 N ATOM 1488 CA ILE A 93 8.755 1.516 9.554 1.00 0.00 C ATOM 1489 C ILE A 93 9.007 2.507 8.420 1.00 0.00 C ATOM 1490 O ILE A 93 8.106 3.229 8.001 1.00 0.00 O ATOM 1491 CB ILE A 93 8.190 0.149 9.016 1.00 0.00 C ATOM 1492 CG1 ILE A 93 7.673 -0.701 10.206 1.00 0.00 C ATOM 1493 CG2 ILE A 93 9.206 -0.623 8.147 1.00 0.00 C ATOM 1494 CD1 ILE A 93 6.320 -0.222 10.787 1.00 0.00 C ATOM 0 H ILE A 93 7.042 2.568 10.132 1.00 0.00 H new ATOM 0 HA ILE A 93 9.710 1.304 10.035 1.00 0.00 H new ATOM 0 HB ILE A 93 7.356 0.368 8.350 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.570 -1.736 9.881 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.421 -0.689 10.999 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.758 -1.556 7.806 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.482 -0.016 7.284 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.096 -0.842 8.736 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.030 -0.869 11.614 1.00 0.00 H new ATOM 0 HD12 ILE A 93 6.420 0.802 11.146 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.556 -0.261 10.010 1.00 0.00 H new ATOM 1506 N ASP A 94 10.282 2.648 8.058 1.00 0.00 N ATOM 1507 CA ASP A 94 10.628 3.345 6.820 1.00 0.00 C ATOM 1508 C ASP A 94 11.288 2.382 5.841 1.00 0.00 C ATOM 1509 O ASP A 94 12.035 1.488 6.238 1.00 0.00 O ATOM 1510 CB ASP A 94 11.432 4.612 7.089 1.00 0.00 C ATOM 1511 CG ASP A 94 12.816 4.343 7.645 1.00 0.00 C ATOM 1512 OD1 ASP A 94 13.040 3.333 8.328 1.00 0.00 O ATOM 1513 OD2 ASP A 94 13.683 5.216 7.419 1.00 0.00 O ATOM 0 H ASP A 94 11.077 2.297 8.592 1.00 0.00 H new ATOM 0 HA ASP A 94 9.714 3.695 6.340 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.525 5.177 6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.883 5.239 7.791 1.00 0.00 H new ATOM 1518 N VAL A 95 11.188 2.723 4.553 1.00 0.00 N ATOM 1519 CA VAL A 95 11.522 1.744 3.511 1.00 0.00 C ATOM 1520 C VAL A 95 12.346 2.404 2.415 1.00 0.00 C ATOM 1521 O VAL A 95 12.825 3.531 2.583 1.00 0.00 O ATOM 1522 CB VAL A 95 10.270 0.985 3.067 1.00 0.00 C ATOM 1523 CG1 VAL A 95 9.360 0.627 4.247 1.00 0.00 C ATOM 1524 CG2 VAL A 95 9.478 1.706 1.989 1.00 0.00 C ATOM 0 H VAL A 95 10.889 3.637 4.213 1.00 0.00 H new ATOM 0 HA VAL A 95 12.174 0.962 3.900 1.00 0.00 H new ATOM 0 HB VAL A 95 10.642 0.060 2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.485 0.089 3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.906 -0.003 4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 95 9.041 1.540 4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 95 8.604 1.112 1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.156 2.678 2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.105 1.846 1.109 1.00 0.00 H new ATOM 1534 N LYS A 96 12.818 1.552 1.497 1.00 0.00 N ATOM 1535 CA LYS A 96 13.721 1.994 0.442 1.00 0.00 C ATOM 1536 C LYS A 96 13.014 1.885 -0.915 1.00 0.00 C ATOM 1537 O LYS A 96 12.801 2.901 -1.579 1.00 0.00 O ATOM 1538 CB LYS A 96 15.003 1.167 0.398 1.00 0.00 C ATOM 1539 CG LYS A 96 15.580 0.838 1.776 1.00 0.00 C ATOM 1540 CD LYS A 96 15.743 2.061 2.660 1.00 0.00 C ATOM 1541 CE LYS A 96 16.990 2.815 2.448 1.00 0.00 C ATOM 1542 NZ LYS A 96 16.775 4.275 2.612 1.00 0.00 N ATOM 0 H LYS A 96 12.588 0.559 1.468 1.00 0.00 H new ATOM 0 HA LYS A 96 13.992 3.028 0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.804 0.236 -0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.753 1.709 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.928 0.121 2.275 1.00 0.00 H new ATOM 0 HG3 LYS A 96 16.549 0.355 1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.898 2.729 2.491 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.698 1.747 3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 96 17.747 2.476 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 96 17.374 2.612 1.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 17.672 4.778 2.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 16.070 4.602 1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 16.432 4.469 3.574 1.00 0.00 H new ATOM 1556 N ASP A 97 12.247 0.785 -1.024 1.00 0.00 N ATOM 1557 CA ASP A 97 11.503 0.531 -2.258 1.00 0.00 C ATOM 1558 C ASP A 97 10.066 0.133 -1.926 1.00 0.00 C ATOM 1559 O ASP A 97 9.818 -0.459 -0.866 1.00 0.00 O ATOM 1560 CB ASP A 97 12.246 -0.462 -3.146 1.00 0.00 C ATOM 1561 CG ASP A 97 12.149 -1.898 -2.658 1.00 0.00 C ATOM 1562 OD1 ASP A 97 13.097 -2.297 -1.943 1.00 0.00 O ATOM 1563 OD2 ASP A 97 11.300 -2.668 -3.130 1.00 0.00 O ATOM 0 H ASP A 97 12.131 0.081 -0.295 1.00 0.00 H new ATOM 0 HA ASP A 97 11.435 1.444 -2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.846 -0.402 -4.158 1.00 0.00 H new ATOM 0 HB3 ASP A 97 13.296 -0.175 -3.200 1.00 0.00 H new ATOM 1568 N THR A 98 9.254 0.056 -2.979 1.00 0.00 N ATOM 1569 CA THR A 98 7.930 -0.529 -2.917 1.00 0.00 C ATOM 1570 C THR A 98 7.987 -1.967 -2.397 1.00 0.00 C ATOM 1571 O THR A 98 7.190 -2.344 -1.537 1.00 0.00 O ATOM 1572 CB THR A 98 7.231 -0.506 -4.347 1.00 0.00 C ATOM 1573 OG1 THR A 98 7.453 0.834 -4.879 1.00 0.00 O ATOM 1574 CG2 THR A 98 5.756 -0.892 -4.318 1.00 0.00 C ATOM 0 H THR A 98 9.506 0.403 -3.904 1.00 0.00 H new ATOM 0 HA THR A 98 7.340 0.072 -2.224 1.00 0.00 H new ATOM 0 HB THR A 98 7.670 -1.267 -4.993 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.874 1.472 -4.411 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.350 -0.853 -5.329 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.652 -1.903 -3.924 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.210 -0.196 -3.681 1.00 0.00 H new ATOM 1582 N LYS A 99 8.704 -2.806 -3.136 1.00 0.00 N ATOM 1583 CA LYS A 99 8.612 -4.250 -2.988 1.00 0.00 C ATOM 1584 C LYS A 99 8.980 -4.668 -1.566 1.00 0.00 C ATOM 1585 O LYS A 99 8.383 -5.601 -1.020 1.00 0.00 O ATOM 1586 CB LYS A 99 9.527 -4.984 -3.972 1.00 0.00 C ATOM 1587 CG LYS A 99 9.420 -4.480 -5.412 1.00 0.00 C ATOM 1588 CD LYS A 99 10.712 -4.631 -6.193 1.00 0.00 C ATOM 1589 CE LYS A 99 11.822 -3.785 -5.725 1.00 0.00 C ATOM 1590 NZ LYS A 99 11.450 -2.347 -5.735 1.00 0.00 N ATOM 0 H LYS A 99 9.364 -2.503 -3.853 1.00 0.00 H new ATOM 0 HA LYS A 99 7.579 -4.525 -3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 99 10.559 -4.882 -3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 99 9.288 -6.047 -3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.627 -5.026 -5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.129 -3.430 -5.402 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.026 -5.674 -6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.515 -4.401 -7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 99 12.107 -4.082 -4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.693 -3.941 -6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 12.303 -1.769 -5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.782 -2.167 -6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 11.004 -2.097 -4.829 1.00 0.00 H new ATOM 1604 N GLU A 100 9.627 -3.736 -0.854 1.00 0.00 N ATOM 1605 CA GLU A 100 10.214 -4.079 0.438 1.00 0.00 C ATOM 1606 C GLU A 100 9.482 -3.378 1.571 1.00 0.00 C ATOM 1607 O GLU A 100 9.576 -3.773 2.736 1.00 0.00 O ATOM 1608 CB GLU A 100 11.693 -3.677 0.390 1.00 0.00 C ATOM 1609 CG GLU A 100 12.763 -4.564 0.105 1.00 0.00 C ATOM 1610 CD GLU A 100 13.628 -4.986 1.256 1.00 0.00 C ATOM 1611 OE1 GLU A 100 13.474 -4.601 2.403 1.00 0.00 O ATOM 1612 OE2 GLU A 100 14.602 -5.675 0.886 1.00 0.00 O ATOM 0 H GLU A 100 9.753 -2.766 -1.144 1.00 0.00 H new ATOM 0 HA GLU A 100 10.124 -5.148 0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.763 -2.875 -0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.917 -3.238 1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.345 -5.462 -0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.401 -4.094 -0.643 1.00 0.00 H new ATOM 1619 N ALA A 101 8.758 -2.304 1.242 1.00 0.00 N ATOM 1620 CA ALA A 101 7.608 -1.910 2.066 1.00 0.00 C ATOM 1621 C ALA A 101 6.532 -3.000 1.964 1.00 0.00 C ATOM 1622 O ALA A 101 6.388 -3.782 2.913 1.00 0.00 O ATOM 1623 CB ALA A 101 7.063 -0.565 1.637 1.00 0.00 C ATOM 0 H ALA A 101 8.938 -1.706 0.436 1.00 0.00 H new ATOM 0 HA ALA A 101 7.925 -1.808 3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.212 -0.300 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 101 7.840 0.192 1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.743 -0.617 0.596 1.00 0.00 H new ATOM 1629 N LEU A 102 6.226 -3.353 0.713 1.00 0.00 N ATOM 1630 CA LEU A 102 5.226 -4.368 0.440 1.00 0.00 C ATOM 1631 C LEU A 102 5.659 -5.718 1.042 1.00 0.00 C ATOM 1632 O LEU A 102 4.827 -6.309 1.766 1.00 0.00 O ATOM 1633 CB LEU A 102 4.991 -4.427 -1.074 1.00 0.00 C ATOM 1634 CG LEU A 102 3.568 -4.694 -1.541 1.00 0.00 C ATOM 1635 CD1 LEU A 102 2.661 -3.513 -1.230 1.00 0.00 C ATOM 1636 CD2 LEU A 102 3.590 -4.959 -3.043 1.00 0.00 C ATOM 0 H LEU A 102 6.658 -2.949 -0.118 1.00 0.00 H new ATOM 0 HA LEU A 102 4.277 -4.118 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.317 -3.480 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.635 -5.204 -1.487 1.00 0.00 H new ATOM 0 HG LEU A 102 3.174 -5.562 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.650 -3.730 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.648 -3.337 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.034 -2.624 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.576 -5.152 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.993 -4.088 -3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.217 -5.826 -3.250 1.00 0.00 H new ATOM 1648 N ASP A 103 6.963 -5.767 1.337 1.00 0.00 N ATOM 1649 CA ASP A 103 7.532 -6.896 2.072 1.00 0.00 C ATOM 1650 C ASP A 103 7.160 -6.795 3.547 1.00 0.00 C ATOM 1651 O ASP A 103 6.708 -7.766 4.154 1.00 0.00 O ATOM 1652 CB ASP A 103 8.989 -7.108 1.735 1.00 0.00 C ATOM 1653 CG ASP A 103 10.008 -6.537 2.700 1.00 0.00 C ATOM 1654 OD1 ASP A 103 9.927 -6.977 3.886 1.00 0.00 O ATOM 1655 OD2 ASP A 103 11.136 -6.188 2.266 1.00 0.00 O ATOM 0 H ASP A 103 7.636 -5.045 1.080 1.00 0.00 H new ATOM 0 HA ASP A 103 7.086 -7.836 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 103 9.165 -8.180 1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 103 9.175 -6.677 0.751 1.00 0.00 H new ATOM 1660 N LYS A 104 7.607 -5.701 4.163 1.00 0.00 N ATOM 1661 CA LYS A 104 7.400 -5.475 5.584 1.00 0.00 C ATOM 1662 C LYS A 104 5.912 -5.408 5.913 1.00 0.00 C ATOM 1663 O LYS A 104 5.505 -5.854 7.000 1.00 0.00 O ATOM 1664 CB LYS A 104 8.091 -4.200 6.065 1.00 0.00 C ATOM 1665 CG LYS A 104 8.618 -4.283 7.500 1.00 0.00 C ATOM 1666 CD LYS A 104 9.976 -4.952 7.597 1.00 0.00 C ATOM 1667 CE LYS A 104 9.935 -6.415 7.760 1.00 0.00 C ATOM 1668 NZ LYS A 104 9.196 -6.804 8.986 1.00 0.00 N ATOM 0 H LYS A 104 8.118 -4.955 3.691 1.00 0.00 H new ATOM 0 HA LYS A 104 7.846 -6.321 6.107 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.921 -3.974 5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.389 -3.369 5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.684 -3.277 7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.904 -4.834 8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.546 -4.717 6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.518 -4.522 8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.460 -6.866 6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.951 -6.806 7.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.759 -7.490 9.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.022 -5.960 9.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.287 -7.235 8.722 1.00 0.00 H new ATOM 1682 N ILE A 105 5.106 -5.400 4.840 1.00 0.00 N ATOM 1683 CA ILE A 105 3.665 -5.200 5.006 1.00 0.00 C ATOM 1684 C ILE A 105 2.909 -6.488 4.745 1.00 0.00 C ATOM 1685 O ILE A 105 1.837 -6.723 5.305 1.00 0.00 O ATOM 1686 CB ILE A 105 3.197 -4.025 4.054 1.00 0.00 C ATOM 1687 CG1 ILE A 105 4.119 -2.807 4.314 1.00 0.00 C ATOM 1688 CG2 ILE A 105 1.700 -3.695 4.183 1.00 0.00 C ATOM 1689 CD1 ILE A 105 3.675 -1.875 5.470 1.00 0.00 C ATOM 0 H ILE A 105 5.418 -5.526 3.877 1.00 0.00 H new ATOM 0 HA ILE A 105 3.445 -4.917 6.035 1.00 0.00 H new ATOM 0 HB ILE A 105 3.297 -4.340 3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.123 -3.172 4.529 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.183 -2.218 3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.447 -2.881 3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.110 -4.576 3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.481 -3.393 5.207 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.386 -1.055 5.570 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.685 -1.473 5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.641 -2.441 6.401 1.00 0.00 H new ATOM 1701 N GLU A 106 3.470 -7.329 3.875 1.00 0.00 N ATOM 1702 CA GLU A 106 2.934 -8.655 3.626 1.00 0.00 C ATOM 1703 C GLU A 106 3.448 -9.647 4.675 1.00 0.00 C ATOM 1704 O GLU A 106 2.767 -10.622 4.991 1.00 0.00 O ATOM 1705 CB GLU A 106 3.358 -9.093 2.220 1.00 0.00 C ATOM 1706 CG GLU A 106 2.592 -9.944 1.379 1.00 0.00 C ATOM 1707 CD GLU A 106 1.437 -9.325 0.651 1.00 0.00 C ATOM 1708 OE1 GLU A 106 0.388 -9.337 1.331 1.00 0.00 O ATOM 1709 OE2 GLU A 106 1.515 -8.823 -0.457 1.00 0.00 O ATOM 0 H GLU A 106 4.303 -7.106 3.330 1.00 0.00 H new ATOM 0 HA GLU A 106 1.846 -8.633 3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.521 -8.176 1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.329 -9.575 2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.263 -10.381 0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 106 2.209 -10.764 1.986 1.00 0.00 H new