USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 550 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 53 CYS SG : rot 128:sc= 1.07 USER MOD Set 1.2: A 61 CYS SG : rot 75:sc= 0.543 USER MOD Set 1.3: A 66 CYS SG : rot -159:sc= 0.566 USER MOD Set 1.4: A 70 HIS : no HE2:sc= 0.0889 X(o=2.3,f=1.9) USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 76 LYS NZ :NH3+ -122:sc= 0.0945 (180deg=-1.6) USER MOD Set 3.1: A 40 SER OG : rot -59:sc= 0.882 USER MOD Set 3.2: A 43 CYS SG : rot -170:sc= 1.36 USER MOD Set 4.1: A 19 CYS SG : rot 138:sc= 1.03 USER MOD Set 4.2: A 27 CYS SG : rot 141:sc= 0.794 USER MOD Set 4.3: A 34 CYS SG : rot 134:sc= 0.969 USER MOD Set 4.4: A 38 HIS : no HD1:sc= -0.0746 K(o=2.7,f=1.3) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 26 THR OG1 : rot 132:sc= 0.329 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 35 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 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.235 X(o=0.23,f=-0.12) USER MOD Single : A 47 ASN : amide:sc= 0.615 K(o=0.62,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00295) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0.0797 X(o=0.08,f=-0.41) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0732 X(o=-0.073,f=-0.073) USER MOD Single : A 82 ASN : amide:sc= 0.46 K(o=0.46,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 142 N ASP A 10 25.545 7.369 11.412 1.00 0.00 N ATOM 143 CA ASP A 10 24.547 8.387 11.741 1.00 0.00 C ATOM 144 C ASP A 10 23.277 7.751 12.338 1.00 0.00 C ATOM 145 O ASP A 10 22.654 6.890 11.724 1.00 0.00 O ATOM 146 CB ASP A 10 24.213 9.117 10.424 1.00 0.00 C ATOM 147 CG ASP A 10 23.302 10.340 10.583 1.00 0.00 C ATOM 148 OD1 ASP A 10 22.852 10.622 11.718 1.00 0.00 O ATOM 149 OD2 ASP A 10 23.043 10.991 9.544 1.00 0.00 O ATOM 0 HA ASP A 10 24.936 9.076 12.491 1.00 0.00 H new ATOM 0 HB2 ASP A 10 25.144 9.433 9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 10 23.736 8.411 9.744 1.00 0.00 H new ATOM 154 N THR A 11 22.840 8.175 13.522 1.00 0.00 N ATOM 155 CA THR A 11 21.604 7.660 14.144 1.00 0.00 C ATOM 156 C THR A 11 20.329 8.078 13.400 1.00 0.00 C ATOM 157 O THR A 11 19.310 7.397 13.520 1.00 0.00 O ATOM 158 CB THR A 11 21.485 8.109 15.610 1.00 0.00 C ATOM 159 OG1 THR A 11 21.689 9.504 15.708 1.00 0.00 O ATOM 160 CG2 THR A 11 22.523 7.417 16.495 1.00 0.00 C ATOM 0 H THR A 11 23.322 8.879 14.080 1.00 0.00 H new ATOM 0 HA THR A 11 21.689 6.575 14.088 1.00 0.00 H new ATOM 0 HB THR A 11 20.485 7.839 15.949 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.610 9.781 16.645 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.409 7.758 17.524 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.376 6.338 16.452 1.00 0.00 H new ATOM 0 HG23 THR A 11 23.524 7.661 16.140 1.00 0.00 H new ATOM 168 N LYS A 12 20.367 9.159 12.602 1.00 0.00 N ATOM 169 CA LYS A 12 19.210 9.704 11.862 1.00 0.00 C ATOM 170 C LYS A 12 18.544 8.706 10.911 1.00 0.00 C ATOM 171 O LYS A 12 17.327 8.747 10.733 1.00 0.00 O ATOM 172 CB LYS A 12 19.634 10.990 11.126 1.00 0.00 C ATOM 173 CG LYS A 12 18.490 11.772 10.452 1.00 0.00 C ATOM 174 CD LYS A 12 17.304 12.134 11.365 1.00 0.00 C ATOM 175 CE LYS A 12 17.735 12.908 12.615 1.00 0.00 C ATOM 176 NZ LYS A 12 16.575 13.205 13.482 1.00 0.00 N ATOM 0 H LYS A 12 21.223 9.693 12.448 1.00 0.00 H new ATOM 0 HA LYS A 12 18.441 9.934 12.600 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.132 11.649 11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 12 20.370 10.728 10.366 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.899 12.693 10.036 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.115 11.183 9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.587 12.731 10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.791 11.221 11.667 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.470 12.326 13.172 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.221 13.838 12.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.894 13.730 14.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.886 13.780 12.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.127 12.315 13.780 1.00 0.00 H new ATOM 190 N TRP A 13 19.318 7.793 10.319 1.00 0.00 N ATOM 191 CA TRP A 13 18.777 6.760 9.427 1.00 0.00 C ATOM 192 C TRP A 13 18.212 5.550 10.192 1.00 0.00 C ATOM 193 O TRP A 13 17.357 4.838 9.667 1.00 0.00 O ATOM 194 CB TRP A 13 19.829 6.366 8.387 1.00 0.00 C ATOM 195 CG TRP A 13 20.802 5.273 8.715 1.00 0.00 C ATOM 196 CD1 TRP A 13 22.058 5.454 9.179 1.00 0.00 C ATOM 197 CD2 TRP A 13 20.653 3.828 8.534 1.00 0.00 C ATOM 198 NE1 TRP A 13 22.709 4.237 9.263 1.00 0.00 N ATOM 199 CE2 TRP A 13 21.885 3.197 8.885 1.00 0.00 C ATOM 200 CE3 TRP A 13 19.600 2.986 8.107 1.00 0.00 C ATOM 201 CZ2 TRP A 13 22.058 1.806 8.812 1.00 0.00 C ATOM 202 CZ3 TRP A 13 19.768 1.590 8.027 1.00 0.00 C ATOM 203 CH2 TRP A 13 20.995 1.000 8.378 1.00 0.00 C ATOM 0 H TRP A 13 20.330 7.747 10.442 1.00 0.00 H new ATOM 0 HA TRP A 13 17.922 7.182 8.899 1.00 0.00 H new ATOM 0 HB2 TRP A 13 19.301 6.075 7.479 1.00 0.00 H new ATOM 0 HB3 TRP A 13 20.406 7.259 8.148 1.00 0.00 H new ATOM 0 HD1 TRP A 13 22.489 6.408 9.445 1.00 0.00 H new ATOM 0 HE1 TRP A 13 23.676 4.123 9.566 1.00 0.00 H new ATOM 0 HE3 TRP A 13 18.649 3.422 7.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 23.002 1.360 9.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 18.950 0.969 7.694 1.00 0.00 H new ATOM 0 HH2 TRP A 13 21.119 -0.071 8.314 1.00 0.00 H new ATOM 214 N LEU A 14 18.648 5.353 11.443 1.00 0.00 N ATOM 215 CA LEU A 14 18.202 4.289 12.349 1.00 0.00 C ATOM 216 C LEU A 14 17.052 4.741 13.277 1.00 0.00 C ATOM 217 O LEU A 14 16.426 3.890 13.902 1.00 0.00 O ATOM 218 CB LEU A 14 19.409 3.803 13.182 1.00 0.00 C ATOM 219 CG LEU A 14 20.426 2.947 12.396 1.00 0.00 C ATOM 220 CD1 LEU A 14 21.805 3.040 13.046 1.00 0.00 C ATOM 221 CD2 LEU A 14 20.051 1.462 12.369 1.00 0.00 C ATOM 0 H LEU A 14 19.351 5.957 11.869 1.00 0.00 H new ATOM 0 HA LEU A 14 17.806 3.473 11.744 1.00 0.00 H new ATOM 0 HB2 LEU A 14 19.924 4.671 13.592 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.041 3.222 14.027 1.00 0.00 H new ATOM 0 HG LEU A 14 20.427 3.340 11.379 1.00 0.00 H new ATOM 0 HD11 LEU A 14 22.514 2.433 12.484 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.137 4.078 13.047 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.749 2.676 14.072 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.800 0.908 11.803 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.009 1.079 13.389 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.077 1.341 11.896 1.00 0.00 H new ATOM 233 N THR A 15 16.752 6.038 13.417 1.00 0.00 N ATOM 234 CA THR A 15 15.689 6.514 14.326 1.00 0.00 C ATOM 235 C THR A 15 14.264 6.386 13.770 1.00 0.00 C ATOM 236 O THR A 15 14.021 6.556 12.573 1.00 0.00 O ATOM 237 CB THR A 15 15.873 7.991 14.728 1.00 0.00 C ATOM 238 OG1 THR A 15 16.351 8.792 13.670 1.00 0.00 O ATOM 239 CG2 THR A 15 16.834 8.143 15.902 1.00 0.00 C ATOM 0 H THR A 15 17.230 6.784 12.912 1.00 0.00 H new ATOM 0 HA THR A 15 15.796 5.852 15.185 1.00 0.00 H new ATOM 0 HB THR A 15 14.877 8.331 15.010 1.00 0.00 H new ATOM 0 HG1 THR A 15 16.448 9.717 13.978 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.936 9.198 16.154 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.445 7.600 16.763 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.809 7.739 15.629 1.00 0.00 H new ATOM 247 N LEU A 16 13.312 6.150 14.683 1.00 0.00 N ATOM 248 CA LEU A 16 11.861 6.074 14.455 1.00 0.00 C ATOM 249 C LEU A 16 11.136 6.845 15.573 1.00 0.00 C ATOM 250 O LEU A 16 11.551 6.798 16.731 1.00 0.00 O ATOM 251 CB LEU A 16 11.404 4.602 14.418 1.00 0.00 C ATOM 252 CG LEU A 16 11.868 3.812 13.179 1.00 0.00 C ATOM 253 CD1 LEU A 16 11.489 2.339 13.330 1.00 0.00 C ATOM 254 CD2 LEU A 16 11.229 4.320 11.882 1.00 0.00 C ATOM 0 H LEU A 16 13.549 5.997 15.663 1.00 0.00 H new ATOM 0 HA LEU A 16 11.615 6.525 13.494 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.774 4.099 15.312 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.315 4.573 14.463 1.00 0.00 H new ATOM 0 HG LEU A 16 12.948 3.946 13.116 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.820 1.786 12.451 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.969 1.929 14.218 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.407 2.250 13.429 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.591 3.728 11.042 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.145 4.228 11.950 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.496 5.366 11.730 1.00 0.00 H new ATOM 266 N GLU A 17 10.076 7.578 15.228 1.00 0.00 N ATOM 267 CA GLU A 17 9.307 8.408 16.172 1.00 0.00 C ATOM 268 C GLU A 17 8.443 7.600 17.157 1.00 0.00 C ATOM 269 O GLU A 17 7.886 6.554 16.818 1.00 0.00 O ATOM 270 CB GLU A 17 8.407 9.385 15.400 1.00 0.00 C ATOM 271 CG GLU A 17 9.206 10.481 14.686 1.00 0.00 C ATOM 272 CD GLU A 17 8.272 11.440 13.939 1.00 0.00 C ATOM 273 OE1 GLU A 17 7.876 12.467 14.542 1.00 0.00 O ATOM 274 OE2 GLU A 17 7.951 11.150 12.762 1.00 0.00 O ATOM 0 H GLU A 17 9.718 7.616 14.273 1.00 0.00 H new ATOM 0 HA GLU A 17 10.047 8.943 16.767 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.821 8.831 14.667 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.701 9.846 16.090 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.799 11.037 15.413 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.906 10.028 13.984 1.00 0.00 H new ATOM 281 N VAL A 18 8.302 8.132 18.374 1.00 0.00 N ATOM 282 CA VAL A 18 7.483 7.585 19.469 1.00 0.00 C ATOM 283 C VAL A 18 6.036 8.084 19.350 1.00 0.00 C ATOM 284 O VAL A 18 5.800 9.252 19.025 1.00 0.00 O ATOM 285 CB VAL A 18 8.082 7.992 20.832 1.00 0.00 C ATOM 286 CG1 VAL A 18 7.250 7.499 22.022 1.00 0.00 C ATOM 287 CG2 VAL A 18 9.494 7.416 20.997 1.00 0.00 C ATOM 0 H VAL A 18 8.776 8.996 18.639 1.00 0.00 H new ATOM 0 HA VAL A 18 7.481 6.497 19.399 1.00 0.00 H new ATOM 0 HB VAL A 18 8.093 9.082 20.831 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.722 7.816 22.952 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.246 7.919 21.963 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.190 6.411 21.998 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.898 7.715 21.964 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.452 6.328 20.942 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.137 7.795 20.203 1.00 0.00 H new ATOM 297 N CYS A 19 5.064 7.208 19.618 1.00 0.00 N ATOM 298 CA CYS A 19 3.634 7.515 19.559 1.00 0.00 C ATOM 299 C CYS A 19 3.238 8.611 20.575 1.00 0.00 C ATOM 300 O CYS A 19 3.519 8.512 21.776 1.00 0.00 O ATOM 301 CB CYS A 19 2.873 6.200 19.779 1.00 0.00 C ATOM 302 SG CYS A 19 1.084 6.340 19.460 1.00 0.00 S ATOM 0 H CYS A 19 5.255 6.243 19.888 1.00 0.00 H new ATOM 0 HA CYS A 19 3.373 7.929 18.585 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.292 5.433 19.128 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.027 5.867 20.805 1.00 0.00 H new ATOM 0 HG CYS A 19 0.676 5.293 18.807 1.00 0.00 H new ATOM 307 N ARG A 20 2.578 9.675 20.096 1.00 0.00 N ATOM 308 CA ARG A 20 2.124 10.801 20.936 1.00 0.00 C ATOM 309 C ARG A 20 1.119 10.350 21.998 1.00 0.00 C ATOM 310 O ARG A 20 1.199 10.778 23.147 1.00 0.00 O ATOM 311 CB ARG A 20 1.528 11.919 20.064 1.00 0.00 C ATOM 312 CG ARG A 20 2.584 12.586 19.165 1.00 0.00 C ATOM 313 CD ARG A 20 1.990 13.713 18.310 1.00 0.00 C ATOM 314 NE ARG A 20 1.534 14.853 19.129 1.00 0.00 N ATOM 315 CZ ARG A 20 0.890 15.921 18.688 1.00 0.00 C ATOM 316 NH1 ARG A 20 0.537 16.864 19.520 1.00 0.00 N ATOM 317 NH2 ARG A 20 0.578 16.091 17.430 1.00 0.00 N ATOM 0 H ARG A 20 2.341 9.783 19.110 1.00 0.00 H new ATOM 0 HA ARG A 20 2.996 11.192 21.459 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.733 11.507 19.442 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.072 12.673 20.706 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.386 12.987 19.785 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.031 11.835 18.513 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.738 14.057 17.595 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.151 13.325 17.732 1.00 0.00 H new ATOM 0 HE ARG A 20 1.734 14.814 20.128 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.758 16.778 20.512 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.041 17.687 19.178 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.832 15.383 16.741 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.080 16.932 17.137 1.00 0.00 H new ATOM 331 N GLU A 21 0.207 9.448 21.641 1.00 0.00 N ATOM 332 CA GLU A 21 -0.780 8.885 22.570 1.00 0.00 C ATOM 333 C GLU A 21 -0.124 7.941 23.600 1.00 0.00 C ATOM 334 O GLU A 21 -0.619 7.821 24.722 1.00 0.00 O ATOM 335 CB GLU A 21 -1.912 8.193 21.792 1.00 0.00 C ATOM 336 CG GLU A 21 -2.734 9.141 20.901 1.00 0.00 C ATOM 337 CD GLU A 21 -3.529 10.174 21.711 1.00 0.00 C ATOM 338 OE1 GLU A 21 -4.673 9.857 22.116 1.00 0.00 O ATOM 339 OE2 GLU A 21 -3.004 11.293 21.928 1.00 0.00 O ATOM 0 H GLU A 21 0.129 9.082 20.692 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.217 9.705 23.140 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.483 7.408 21.170 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.582 7.707 22.502 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.064 9.660 20.215 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.422 8.555 20.292 1.00 0.00 H new ATOM 346 N PHE A 22 1.014 7.313 23.281 1.00 0.00 N ATOM 347 CA PHE A 22 1.766 6.487 24.236 1.00 0.00 C ATOM 348 C PHE A 22 2.424 7.377 25.303 1.00 0.00 C ATOM 349 O PHE A 22 2.338 7.078 26.496 1.00 0.00 O ATOM 350 CB PHE A 22 2.799 5.640 23.486 1.00 0.00 C ATOM 351 CG PHE A 22 3.619 4.699 24.346 1.00 0.00 C ATOM 352 CD1 PHE A 22 3.050 3.501 24.818 1.00 0.00 C ATOM 353 CD2 PHE A 22 4.962 5.002 24.646 1.00 0.00 C ATOM 354 CE1 PHE A 22 3.817 2.613 25.593 1.00 0.00 C ATOM 355 CE2 PHE A 22 5.729 4.110 25.419 1.00 0.00 C ATOM 356 CZ PHE A 22 5.156 2.916 25.892 1.00 0.00 C ATOM 0 H PHE A 22 1.440 7.362 22.355 1.00 0.00 H new ATOM 0 HA PHE A 22 1.085 5.809 24.750 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.280 5.053 22.728 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.479 6.310 22.960 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.023 3.264 24.584 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.403 5.919 24.283 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.376 1.697 25.959 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.758 4.343 25.649 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.745 2.232 26.485 1.00 0.00 H new ATOM 366 N GLN A 23 3.010 8.512 24.894 1.00 0.00 N ATOM 367 CA GLN A 23 3.582 9.514 25.810 1.00 0.00 C ATOM 368 C GLN A 23 2.489 10.137 26.703 1.00 0.00 C ATOM 369 O GLN A 23 2.709 10.366 27.895 1.00 0.00 O ATOM 370 CB GLN A 23 4.305 10.608 25.007 1.00 0.00 C ATOM 371 CG GLN A 23 5.549 10.075 24.279 1.00 0.00 C ATOM 372 CD GLN A 23 6.232 11.148 23.427 1.00 0.00 C ATOM 373 OE1 GLN A 23 5.612 11.871 22.659 1.00 0.00 O ATOM 374 NE2 GLN A 23 7.536 11.301 23.529 1.00 0.00 N ATOM 0 H GLN A 23 3.102 8.764 23.910 1.00 0.00 H new ATOM 0 HA GLN A 23 4.301 9.014 26.459 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.616 11.035 24.278 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.598 11.414 25.679 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.259 9.691 25.012 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.263 9.237 23.643 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.071 10.708 24.164 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.011 12.012 22.973 1.00 0.00 H new ATOM 383 N ARG A 24 1.296 10.375 26.135 1.00 0.00 N ATOM 384 CA ARG A 24 0.094 10.893 26.820 1.00 0.00 C ATOM 385 C ARG A 24 -0.529 9.873 27.792 1.00 0.00 C ATOM 386 O ARG A 24 -1.272 10.259 28.695 1.00 0.00 O ATOM 387 CB ARG A 24 -0.912 11.298 25.728 1.00 0.00 C ATOM 388 CG ARG A 24 -2.127 12.104 26.209 1.00 0.00 C ATOM 389 CD ARG A 24 -3.015 12.411 25.000 1.00 0.00 C ATOM 390 NE ARG A 24 -4.220 13.170 25.368 1.00 0.00 N ATOM 391 CZ ARG A 24 -5.204 13.481 24.539 1.00 0.00 C ATOM 392 NH1 ARG A 24 -6.232 14.166 24.966 1.00 0.00 N ATOM 393 NH2 ARG A 24 -5.201 13.130 23.278 1.00 0.00 N ATOM 0 H ARG A 24 1.133 10.205 25.143 1.00 0.00 H new ATOM 0 HA ARG A 24 0.372 11.747 27.438 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.386 11.884 24.974 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.270 10.394 25.236 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.685 11.539 26.955 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.803 13.029 26.686 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.442 12.978 24.266 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.309 11.477 24.522 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.304 13.480 26.336 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.278 14.463 25.941 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.988 14.404 24.324 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.419 12.595 22.899 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.981 13.391 22.674 1.00 0.00 H new ATOM 407 N GLY A 25 -0.230 8.583 27.619 1.00 0.00 N ATOM 408 CA GLY A 25 -0.753 7.479 28.432 1.00 0.00 C ATOM 409 C GLY A 25 -2.173 7.044 28.037 1.00 0.00 C ATOM 410 O GLY A 25 -2.947 6.630 28.902 1.00 0.00 O ATOM 0 H GLY A 25 0.404 8.267 26.885 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.082 6.624 28.344 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.752 7.778 29.480 1.00 0.00 H new ATOM 414 N THR A 26 -2.529 7.162 26.751 1.00 0.00 N ATOM 415 CA THR A 26 -3.867 6.852 26.205 1.00 0.00 C ATOM 416 C THR A 26 -3.880 5.830 25.057 1.00 0.00 C ATOM 417 O THR A 26 -4.938 5.246 24.799 1.00 0.00 O ATOM 418 CB THR A 26 -4.576 8.132 25.729 1.00 0.00 C ATOM 419 OG1 THR A 26 -3.779 8.820 24.788 1.00 0.00 O ATOM 420 CG2 THR A 26 -4.871 9.105 26.872 1.00 0.00 C ATOM 0 H THR A 26 -1.877 7.485 26.036 1.00 0.00 H new ATOM 0 HA THR A 26 -4.397 6.394 27.040 1.00 0.00 H new ATOM 0 HB THR A 26 -5.517 7.803 25.288 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.324 9.057 24.009 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.371 9.989 26.477 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.516 8.620 27.605 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.936 9.400 27.349 1.00 0.00 H new ATOM 428 N CYS A 27 -2.750 5.569 24.382 1.00 0.00 N ATOM 429 CA CYS A 27 -2.670 4.575 23.301 1.00 0.00 C ATOM 430 C CYS A 27 -2.998 3.154 23.821 1.00 0.00 C ATOM 431 O CYS A 27 -2.593 2.779 24.929 1.00 0.00 O ATOM 432 CB CYS A 27 -1.278 4.645 22.643 1.00 0.00 C ATOM 433 SG CYS A 27 -1.267 3.884 20.983 1.00 0.00 S ATOM 0 H CYS A 27 -1.866 6.041 24.570 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.419 4.806 22.544 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.965 5.686 22.567 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.551 4.140 23.278 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.523 4.592 20.186 1.00 0.00 H new ATOM 438 N SER A 28 -3.731 2.366 23.024 1.00 0.00 N ATOM 439 CA SER A 28 -4.168 1.000 23.364 1.00 0.00 C ATOM 440 C SER A 28 -4.018 0.035 22.176 1.00 0.00 C ATOM 441 O SER A 28 -4.985 -0.581 21.715 1.00 0.00 O ATOM 442 CB SER A 28 -5.619 1.014 23.882 1.00 0.00 C ATOM 443 OG SER A 28 -5.760 1.792 25.062 1.00 0.00 O ATOM 0 H SER A 28 -4.046 2.665 22.101 1.00 0.00 H new ATOM 0 HA SER A 28 -3.517 0.633 24.157 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.276 1.410 23.107 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.942 -0.008 24.082 1.00 0.00 H new ATOM 0 HG SER A 28 -6.695 1.775 25.355 1.00 0.00 H new ATOM 449 N ARG A 29 -2.780 -0.116 21.689 1.00 0.00 N ATOM 450 CA ARG A 29 -2.363 -1.010 20.590 1.00 0.00 C ATOM 451 C ARG A 29 -0.910 -1.472 20.802 1.00 0.00 C ATOM 452 O ARG A 29 -0.120 -0.721 21.386 1.00 0.00 O ATOM 453 CB ARG A 29 -2.442 -0.272 19.232 1.00 0.00 C ATOM 454 CG ARG A 29 -3.853 0.051 18.713 1.00 0.00 C ATOM 455 CD ARG A 29 -4.692 -1.208 18.449 1.00 0.00 C ATOM 456 NE ARG A 29 -5.993 -0.878 17.836 1.00 0.00 N ATOM 457 CZ ARG A 29 -7.100 -0.523 18.469 1.00 0.00 C ATOM 458 NH1 ARG A 29 -7.173 -0.397 19.769 1.00 0.00 N ATOM 459 NH2 ARG A 29 -8.189 -0.280 17.792 1.00 0.00 N ATOM 0 H ARG A 29 -1.994 0.411 22.070 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.034 -1.869 20.585 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.887 0.662 19.318 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.932 -0.878 18.483 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.368 0.679 19.440 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.773 0.629 17.792 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.141 -1.882 17.793 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.856 -1.739 19.386 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.045 -0.929 16.819 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.351 -0.575 20.346 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.052 -0.120 20.206 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.187 -0.364 16.775 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.042 -0.006 18.279 1.00 0.00 H new ATOM 473 N PRO A 30 -0.523 -2.673 20.334 1.00 0.00 N ATOM 474 CA PRO A 30 0.855 -3.144 20.448 1.00 0.00 C ATOM 475 C PRO A 30 1.764 -2.396 19.461 1.00 0.00 C ATOM 476 O PRO A 30 1.313 -1.929 18.411 1.00 0.00 O ATOM 477 CB PRO A 30 0.787 -4.641 20.125 1.00 0.00 C ATOM 478 CG PRO A 30 -0.379 -4.735 19.142 1.00 0.00 C ATOM 479 CD PRO A 30 -1.344 -3.657 19.639 1.00 0.00 C ATOM 0 HA PRO A 30 1.276 -2.966 21.438 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.716 -5.000 19.683 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.608 -5.238 21.019 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.058 -4.547 18.118 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.838 -5.723 19.155 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.881 -3.200 18.807 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.093 -4.082 20.307 1.00 0.00 H new ATOM 487 N ASP A 31 3.066 -2.333 19.759 1.00 0.00 N ATOM 488 CA ASP A 31 4.084 -1.716 18.885 1.00 0.00 C ATOM 489 C ASP A 31 4.031 -2.283 17.449 1.00 0.00 C ATOM 490 O ASP A 31 4.278 -1.576 16.473 1.00 0.00 O ATOM 491 CB ASP A 31 5.464 -1.957 19.515 1.00 0.00 C ATOM 492 CG ASP A 31 6.595 -1.258 18.753 1.00 0.00 C ATOM 493 OD1 ASP A 31 7.185 -1.903 17.857 1.00 0.00 O ATOM 494 OD2 ASP A 31 6.885 -0.088 19.092 1.00 0.00 O ATOM 0 H ASP A 31 3.453 -2.712 20.623 1.00 0.00 H new ATOM 0 HA ASP A 31 3.886 -0.647 18.803 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.454 -1.604 20.546 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.662 -3.028 19.547 1.00 0.00 H new ATOM 499 N THR A 32 3.674 -3.566 17.337 1.00 0.00 N ATOM 500 CA THR A 32 3.518 -4.342 16.101 1.00 0.00 C ATOM 501 C THR A 32 2.440 -3.820 15.146 1.00 0.00 C ATOM 502 O THR A 32 2.528 -4.058 13.943 1.00 0.00 O ATOM 503 CB THR A 32 3.168 -5.802 16.456 1.00 0.00 C ATOM 504 OG1 THR A 32 3.901 -6.236 17.587 1.00 0.00 O ATOM 505 CG2 THR A 32 3.470 -6.794 15.331 1.00 0.00 C ATOM 0 H THR A 32 3.472 -4.129 18.163 1.00 0.00 H new ATOM 0 HA THR A 32 4.472 -4.253 15.582 1.00 0.00 H new ATOM 0 HB THR A 32 2.095 -5.792 16.646 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.662 -7.163 17.795 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.199 -7.800 15.651 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.893 -6.527 14.446 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.533 -6.763 15.094 1.00 0.00 H new ATOM 513 N GLU A 33 1.425 -3.108 15.649 1.00 0.00 N ATOM 514 CA GLU A 33 0.293 -2.610 14.846 1.00 0.00 C ATOM 515 C GLU A 33 0.137 -1.082 14.853 1.00 0.00 C ATOM 516 O GLU A 33 -0.493 -0.539 13.940 1.00 0.00 O ATOM 517 CB GLU A 33 -1.012 -3.264 15.331 1.00 0.00 C ATOM 518 CG GLU A 33 -1.029 -4.788 15.146 1.00 0.00 C ATOM 519 CD GLU A 33 -2.393 -5.371 15.537 1.00 0.00 C ATOM 520 OE1 GLU A 33 -3.195 -5.670 14.618 1.00 0.00 O ATOM 521 OE2 GLU A 33 -2.642 -5.517 16.758 1.00 0.00 O ATOM 0 H GLU A 33 1.362 -2.857 16.636 1.00 0.00 H new ATOM 0 HA GLU A 33 0.511 -2.887 13.814 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.158 -3.031 16.386 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.852 -2.829 14.789 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.807 -5.035 14.108 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.247 -5.241 15.755 1.00 0.00 H new ATOM 528 N CYS A 34 0.706 -0.379 15.840 1.00 0.00 N ATOM 529 CA CYS A 34 0.631 1.085 15.908 1.00 0.00 C ATOM 530 C CYS A 34 1.515 1.753 14.825 1.00 0.00 C ATOM 531 O CYS A 34 2.513 1.187 14.364 1.00 0.00 O ATOM 532 CB CYS A 34 0.969 1.550 17.335 1.00 0.00 C ATOM 533 SG CYS A 34 0.262 3.204 17.671 1.00 0.00 S ATOM 0 H CYS A 34 1.227 -0.804 16.607 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.387 1.405 15.687 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.581 0.831 18.057 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.051 1.580 17.465 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.314 3.201 18.836 1.00 0.00 H new ATOM 538 N LYS A 35 1.146 2.971 14.407 1.00 0.00 N ATOM 539 CA LYS A 35 1.845 3.767 13.375 1.00 0.00 C ATOM 540 C LYS A 35 3.198 4.355 13.820 1.00 0.00 C ATOM 541 O LYS A 35 3.948 4.856 12.981 1.00 0.00 O ATOM 542 CB LYS A 35 0.908 4.869 12.842 1.00 0.00 C ATOM 543 CG LYS A 35 0.472 5.882 13.914 1.00 0.00 C ATOM 544 CD LYS A 35 -0.338 7.029 13.297 1.00 0.00 C ATOM 545 CE LYS A 35 -0.773 8.008 14.390 1.00 0.00 C ATOM 546 NZ LYS A 35 -1.531 9.142 13.821 1.00 0.00 N ATOM 0 H LYS A 35 0.329 3.449 14.786 1.00 0.00 H new ATOM 0 HA LYS A 35 2.098 3.071 12.575 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.411 5.402 12.035 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.021 4.403 12.413 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.127 5.378 14.673 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.351 6.284 14.417 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.262 7.548 12.550 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.213 6.632 12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.388 7.488 15.124 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.105 8.382 14.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.813 9.789 14.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.934 9.651 13.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.380 8.785 13.339 1.00 0.00 H new ATOM 560 N PHE A 36 3.512 4.286 15.114 1.00 0.00 N ATOM 561 CA PHE A 36 4.738 4.795 15.744 1.00 0.00 C ATOM 562 C PHE A 36 5.285 3.804 16.796 1.00 0.00 C ATOM 563 O PHE A 36 4.730 2.720 16.998 1.00 0.00 O ATOM 564 CB PHE A 36 4.451 6.181 16.351 1.00 0.00 C ATOM 565 CG PHE A 36 4.228 7.321 15.372 1.00 0.00 C ATOM 566 CD1 PHE A 36 5.199 7.621 14.396 1.00 0.00 C ATOM 567 CD2 PHE A 36 3.078 8.128 15.476 1.00 0.00 C ATOM 568 CE1 PHE A 36 5.009 8.701 13.515 1.00 0.00 C ATOM 569 CE2 PHE A 36 2.888 9.210 14.596 1.00 0.00 C ATOM 570 CZ PHE A 36 3.852 9.494 13.613 1.00 0.00 C ATOM 0 H PHE A 36 2.886 3.850 15.791 1.00 0.00 H new ATOM 0 HA PHE A 36 5.517 4.898 14.989 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.568 6.099 16.985 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.285 6.448 17.000 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.093 7.019 14.324 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.339 7.916 16.234 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.752 8.921 12.763 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.002 9.822 14.676 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.704 10.320 12.934 1.00 0.00 H new ATOM 580 N ALA A 37 6.400 4.149 17.447 1.00 0.00 N ATOM 581 CA ALA A 37 7.091 3.286 18.402 1.00 0.00 C ATOM 582 C ALA A 37 6.606 3.452 19.858 1.00 0.00 C ATOM 583 O ALA A 37 6.254 4.550 20.296 1.00 0.00 O ATOM 584 CB ALA A 37 8.586 3.619 18.312 1.00 0.00 C ATOM 0 H ALA A 37 6.854 5.054 17.321 1.00 0.00 H new ATOM 0 HA ALA A 37 6.879 2.249 18.140 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.141 2.994 19.012 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.940 3.431 17.298 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.741 4.669 18.561 1.00 0.00 H new ATOM 590 N HIS A 38 6.633 2.348 20.612 1.00 0.00 N ATOM 591 CA HIS A 38 6.264 2.233 22.031 1.00 0.00 C ATOM 592 C HIS A 38 7.481 1.733 22.853 1.00 0.00 C ATOM 593 O HIS A 38 7.568 0.538 23.162 1.00 0.00 O ATOM 594 CB HIS A 38 5.030 1.320 22.185 1.00 0.00 C ATOM 595 CG HIS A 38 3.764 1.803 21.513 1.00 0.00 C ATOM 596 ND1 HIS A 38 2.680 1.027 21.161 1.00 0.00 N ATOM 597 CD2 HIS A 38 3.447 3.094 21.178 1.00 0.00 C ATOM 598 CE1 HIS A 38 1.746 1.832 20.618 1.00 0.00 C ATOM 599 NE2 HIS A 38 2.171 3.105 20.600 1.00 0.00 N ATOM 0 H HIS A 38 6.932 1.453 20.225 1.00 0.00 H new ATOM 0 HA HIS A 38 5.988 3.212 22.423 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.278 0.336 21.786 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.828 1.191 23.248 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.076 3.958 21.334 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.788 1.499 20.248 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.667 3.915 20.239 1.00 0.00 H new ATOM 607 N PRO A 39 8.458 2.607 23.175 1.00 0.00 N ATOM 608 CA PRO A 39 9.682 2.240 23.896 1.00 0.00 C ATOM 609 C PRO A 39 9.470 1.773 25.344 1.00 0.00 C ATOM 610 O PRO A 39 8.429 1.996 25.965 1.00 0.00 O ATOM 611 CB PRO A 39 10.582 3.475 23.857 1.00 0.00 C ATOM 612 CG PRO A 39 9.603 4.634 23.687 1.00 0.00 C ATOM 613 CD PRO A 39 8.483 4.026 22.847 1.00 0.00 C ATOM 0 HA PRO A 39 10.123 1.372 23.406 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.165 3.575 24.773 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.292 3.427 23.031 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.235 4.994 24.648 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.067 5.483 23.185 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.526 4.496 23.075 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.667 4.177 21.783 1.00 0.00 H new ATOM 621 N SER A 40 10.518 1.152 25.892 1.00 0.00 N ATOM 622 CA SER A 40 10.611 0.653 27.268 1.00 0.00 C ATOM 623 C SER A 40 11.507 1.554 28.130 1.00 0.00 C ATOM 624 O SER A 40 12.156 2.477 27.628 1.00 0.00 O ATOM 625 CB SER A 40 11.178 -0.774 27.248 1.00 0.00 C ATOM 626 OG SER A 40 12.563 -0.752 26.927 1.00 0.00 O ATOM 0 H SER A 40 11.370 0.974 25.360 1.00 0.00 H new ATOM 0 HA SER A 40 9.613 0.655 27.706 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.031 -1.244 28.220 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.638 -1.377 26.517 1.00 0.00 H new ATOM 0 HG SER A 40 12.689 -0.335 26.049 1.00 0.00 H new ATOM 632 N LYS A 41 11.601 1.255 29.432 1.00 0.00 N ATOM 633 CA LYS A 41 12.489 1.968 30.373 1.00 0.00 C ATOM 634 C LYS A 41 13.982 1.805 30.039 1.00 0.00 C ATOM 635 O LYS A 41 14.798 2.626 30.460 1.00 0.00 O ATOM 636 CB LYS A 41 12.210 1.514 31.820 1.00 0.00 C ATOM 637 CG LYS A 41 10.764 1.726 32.306 1.00 0.00 C ATOM 638 CD LYS A 41 10.324 3.197 32.286 1.00 0.00 C ATOM 639 CE LYS A 41 8.926 3.335 32.895 1.00 0.00 C ATOM 640 NZ LYS A 41 8.477 4.743 32.889 1.00 0.00 N ATOM 0 H LYS A 41 11.062 0.508 29.869 1.00 0.00 H new ATOM 0 HA LYS A 41 12.263 3.029 30.272 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.453 0.455 31.905 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.883 2.050 32.488 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.089 1.144 31.679 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.669 1.340 33.321 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.035 3.805 32.846 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.322 3.570 31.262 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.220 2.723 32.334 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.933 2.957 33.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.527 4.806 33.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.139 5.321 33.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.448 5.094 31.910 1.00 0.00 H new ATOM 654 N SER A 42 14.332 0.769 29.274 1.00 0.00 N ATOM 655 CA SER A 42 15.703 0.468 28.827 1.00 0.00 C ATOM 656 C SER A 42 16.050 1.097 27.469 1.00 0.00 C ATOM 657 O SER A 42 17.234 1.224 27.141 1.00 0.00 O ATOM 658 CB SER A 42 15.904 -1.049 28.730 1.00 0.00 C ATOM 659 OG SER A 42 15.650 -1.667 29.984 1.00 0.00 O ATOM 0 H SER A 42 13.650 0.091 28.935 1.00 0.00 H new ATOM 0 HA SER A 42 16.368 0.903 29.573 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.237 -1.462 27.973 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.923 -1.267 28.411 1.00 0.00 H new ATOM 0 HG SER A 42 15.781 -2.635 29.904 1.00 0.00 H new ATOM 665 N CYS A 43 15.056 1.510 26.671 1.00 0.00 N ATOM 666 CA CYS A 43 15.291 2.133 25.368 1.00 0.00 C ATOM 667 C CYS A 43 15.993 3.494 25.515 1.00 0.00 C ATOM 668 O CYS A 43 15.632 4.304 26.371 1.00 0.00 O ATOM 669 CB CYS A 43 13.954 2.299 24.635 1.00 0.00 C ATOM 670 SG CYS A 43 13.335 0.685 24.078 1.00 0.00 S ATOM 0 H CYS A 43 14.069 1.420 26.913 1.00 0.00 H new ATOM 0 HA CYS A 43 15.949 1.486 24.788 1.00 0.00 H new ATOM 0 HB2 CYS A 43 13.225 2.767 25.296 1.00 0.00 H new ATOM 0 HB3 CYS A 43 14.081 2.962 23.779 1.00 0.00 H new ATOM 0 HG CYS A 43 12.320 0.860 23.285 1.00 0.00 H new ATOM 676 N GLN A 44 16.977 3.773 24.656 1.00 0.00 N ATOM 677 CA GLN A 44 17.721 5.043 24.636 1.00 0.00 C ATOM 678 C GLN A 44 16.943 6.146 23.881 1.00 0.00 C ATOM 679 O GLN A 44 17.422 6.731 22.908 1.00 0.00 O ATOM 680 CB GLN A 44 19.148 4.811 24.102 1.00 0.00 C ATOM 681 CG GLN A 44 19.935 3.768 24.916 1.00 0.00 C ATOM 682 CD GLN A 44 20.019 4.100 26.406 1.00 0.00 C ATOM 683 OE1 GLN A 44 20.669 5.050 26.821 1.00 0.00 O ATOM 684 NE2 GLN A 44 19.358 3.355 27.270 1.00 0.00 N ATOM 0 H GLN A 44 17.287 3.114 23.942 1.00 0.00 H new ATOM 0 HA GLN A 44 17.824 5.416 25.655 1.00 0.00 H new ATOM 0 HB2 GLN A 44 19.092 4.486 23.063 1.00 0.00 H new ATOM 0 HB3 GLN A 44 19.691 5.756 24.112 1.00 0.00 H new ATOM 0 HG2 GLN A 44 19.464 2.792 24.794 1.00 0.00 H new ATOM 0 HG3 GLN A 44 20.944 3.688 24.511 1.00 0.00 H new ATOM 0 HE21 GLN A 44 18.811 2.559 26.943 1.00 0.00 H new ATOM 0 HE22 GLN A 44 19.394 3.575 28.265 1.00 0.00 H new ATOM 693 N VAL A 45 15.705 6.396 24.320 1.00 0.00 N ATOM 694 CA VAL A 45 14.766 7.382 23.755 1.00 0.00 C ATOM 695 C VAL A 45 15.309 8.813 23.889 1.00 0.00 C ATOM 696 O VAL A 45 15.768 9.208 24.963 1.00 0.00 O ATOM 697 CB VAL A 45 13.390 7.296 24.458 1.00 0.00 C ATOM 698 CG1 VAL A 45 12.321 8.078 23.686 1.00 0.00 C ATOM 699 CG2 VAL A 45 12.878 5.856 24.613 1.00 0.00 C ATOM 0 H VAL A 45 15.308 5.896 25.115 1.00 0.00 H new ATOM 0 HA VAL A 45 14.650 7.145 22.697 1.00 0.00 H new ATOM 0 HB VAL A 45 13.553 7.725 25.447 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.366 7.998 24.205 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.613 9.126 23.622 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.223 7.666 22.681 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.910 5.866 25.113 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.773 5.399 23.629 1.00 0.00 H new ATOM 0 HG23 VAL A 45 13.587 5.280 25.207 1.00 0.00 H new ATOM 709 N GLU A 46 15.232 9.611 22.820 1.00 0.00 N ATOM 710 CA GLU A 46 15.658 11.021 22.796 1.00 0.00 C ATOM 711 C GLU A 46 14.921 11.828 21.710 1.00 0.00 C ATOM 712 O GLU A 46 14.605 11.303 20.643 1.00 0.00 O ATOM 713 CB GLU A 46 17.187 11.128 22.621 1.00 0.00 C ATOM 714 CG GLU A 46 17.751 10.478 21.349 1.00 0.00 C ATOM 715 CD GLU A 46 19.272 10.662 21.282 1.00 0.00 C ATOM 716 OE1 GLU A 46 19.991 9.894 21.968 1.00 0.00 O ATOM 717 OE2 GLU A 46 19.724 11.574 20.549 1.00 0.00 O ATOM 0 H GLU A 46 14.864 9.291 21.924 1.00 0.00 H new ATOM 0 HA GLU A 46 15.390 11.458 23.758 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.463 12.182 22.623 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.668 10.671 23.486 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.506 9.416 21.337 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.286 10.922 20.469 1.00 0.00 H new ATOM 724 N ASN A 47 14.651 13.114 21.971 1.00 0.00 N ATOM 725 CA ASN A 47 13.962 14.056 21.065 1.00 0.00 C ATOM 726 C ASN A 47 12.664 13.496 20.412 1.00 0.00 C ATOM 727 O ASN A 47 12.333 13.821 19.268 1.00 0.00 O ATOM 728 CB ASN A 47 15.006 14.603 20.062 1.00 0.00 C ATOM 729 CG ASN A 47 14.721 16.024 19.595 1.00 0.00 C ATOM 730 OD1 ASN A 47 15.417 16.968 19.944 1.00 0.00 O ATOM 731 ND2 ASN A 47 13.692 16.237 18.809 1.00 0.00 N ATOM 0 H ASN A 47 14.916 13.549 22.855 1.00 0.00 H new ATOM 0 HA ASN A 47 13.566 14.886 21.650 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.992 14.573 20.525 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.042 13.945 19.194 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.478 17.183 18.494 1.00 0.00 H new ATOM 0 HD22 ASN A 47 13.106 15.456 18.513 1.00 0.00 H new ATOM 738 N GLY A 48 11.930 12.624 21.116 1.00 0.00 N ATOM 739 CA GLY A 48 10.698 11.987 20.624 1.00 0.00 C ATOM 740 C GLY A 48 10.916 10.812 19.657 1.00 0.00 C ATOM 741 O GLY A 48 9.974 10.400 18.978 1.00 0.00 O ATOM 0 H GLY A 48 12.180 12.335 22.062 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.124 11.632 21.480 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.091 12.742 20.124 1.00 0.00 H new ATOM 745 N ARG A 49 12.140 10.275 19.570 1.00 0.00 N ATOM 746 CA ARG A 49 12.551 9.155 18.704 1.00 0.00 C ATOM 747 C ARG A 49 13.305 8.082 19.501 1.00 0.00 C ATOM 748 O ARG A 49 13.809 8.338 20.595 1.00 0.00 O ATOM 749 CB ARG A 49 13.483 9.657 17.573 1.00 0.00 C ATOM 750 CG ARG A 49 12.850 10.442 16.415 1.00 0.00 C ATOM 751 CD ARG A 49 12.500 11.895 16.756 1.00 0.00 C ATOM 752 NE ARG A 49 12.111 12.651 15.553 1.00 0.00 N ATOM 753 CZ ARG A 49 11.495 13.821 15.542 1.00 0.00 C ATOM 754 NH1 ARG A 49 11.184 14.467 16.636 1.00 0.00 N ATOM 755 NH2 ARG A 49 11.175 14.382 14.408 1.00 0.00 N ATOM 0 H ARG A 49 12.915 10.628 20.132 1.00 0.00 H new ATOM 0 HA ARG A 49 11.642 8.726 18.283 1.00 0.00 H new ATOM 0 HB2 ARG A 49 14.248 10.288 18.026 1.00 0.00 H new ATOM 0 HB3 ARG A 49 13.993 8.791 17.151 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.536 10.435 15.568 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.944 9.928 16.095 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.685 11.914 17.479 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.357 12.376 17.229 1.00 0.00 H new ATOM 0 HE ARG A 49 12.337 12.235 14.649 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.417 14.070 17.546 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.709 15.368 16.579 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.400 13.918 13.528 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.700 15.285 14.402 1.00 0.00 H new ATOM 769 N VAL A 50 13.445 6.895 18.913 1.00 0.00 N ATOM 770 CA VAL A 50 14.251 5.782 19.445 1.00 0.00 C ATOM 771 C VAL A 50 15.124 5.283 18.302 1.00 0.00 C ATOM 772 O VAL A 50 14.647 5.159 17.172 1.00 0.00 O ATOM 773 CB VAL A 50 13.426 4.569 19.922 1.00 0.00 C ATOM 774 CG1 VAL A 50 14.269 3.720 20.888 1.00 0.00 C ATOM 775 CG2 VAL A 50 12.091 4.890 20.574 1.00 0.00 C ATOM 0 H VAL A 50 12.991 6.668 18.028 1.00 0.00 H new ATOM 0 HA VAL A 50 14.797 6.167 20.306 1.00 0.00 H new ATOM 0 HB VAL A 50 13.176 4.026 19.010 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.685 2.863 21.224 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.166 3.370 20.377 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.555 4.324 21.749 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.598 3.964 20.869 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.256 5.510 21.455 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.460 5.427 19.866 1.00 0.00 H new ATOM 785 N ILE A 51 16.384 4.963 18.583 1.00 0.00 N ATOM 786 CA ILE A 51 17.295 4.384 17.598 1.00 0.00 C ATOM 787 C ILE A 51 16.938 2.888 17.486 1.00 0.00 C ATOM 788 O ILE A 51 16.867 2.190 18.502 1.00 0.00 O ATOM 789 CB ILE A 51 18.772 4.607 18.002 1.00 0.00 C ATOM 790 CG1 ILE A 51 19.191 6.074 18.274 1.00 0.00 C ATOM 791 CG2 ILE A 51 19.662 4.119 16.851 1.00 0.00 C ATOM 792 CD1 ILE A 51 18.733 6.678 19.608 1.00 0.00 C ATOM 0 H ILE A 51 16.804 5.098 19.503 1.00 0.00 H new ATOM 0 HA ILE A 51 17.183 4.868 16.628 1.00 0.00 H new ATOM 0 HB ILE A 51 18.889 4.063 18.940 1.00 0.00 H new ATOM 0 HG12 ILE A 51 20.278 6.133 18.228 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.803 6.695 17.467 1.00 0.00 H new ATOM 0 HG21 ILE A 51 20.710 4.266 17.113 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.478 3.059 16.673 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.431 4.684 15.948 1.00 0.00 H new ATOM 0 HD11 ILE A 51 19.087 7.706 19.682 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.644 6.664 19.659 1.00 0.00 H new ATOM 0 HD13 ILE A 51 19.142 6.093 20.432 1.00 0.00 H new ATOM 804 N ALA A 52 16.674 2.393 16.276 1.00 0.00 N ATOM 805 CA ALA A 52 16.322 0.996 16.020 1.00 0.00 C ATOM 806 C ALA A 52 17.555 0.072 16.025 1.00 0.00 C ATOM 807 O ALA A 52 18.656 0.483 15.650 1.00 0.00 O ATOM 808 CB ALA A 52 15.576 0.903 14.684 1.00 0.00 C ATOM 0 H ALA A 52 16.699 2.963 15.430 1.00 0.00 H new ATOM 0 HA ALA A 52 15.676 0.653 16.828 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.311 -0.136 14.487 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.670 1.507 14.731 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.217 1.272 13.883 1.00 0.00 H new ATOM 814 N CYS A 53 17.360 -1.182 16.434 1.00 0.00 N ATOM 815 CA CYS A 53 18.383 -2.221 16.509 1.00 0.00 C ATOM 816 C CYS A 53 18.821 -2.677 15.097 1.00 0.00 C ATOM 817 O CYS A 53 18.048 -3.284 14.344 1.00 0.00 O ATOM 818 CB CYS A 53 17.799 -3.346 17.383 1.00 0.00 C ATOM 819 SG CYS A 53 18.977 -4.682 17.774 1.00 0.00 S ATOM 0 H CYS A 53 16.444 -1.514 16.735 1.00 0.00 H new ATOM 0 HA CYS A 53 19.303 -1.859 16.967 1.00 0.00 H new ATOM 0 HB2 CYS A 53 17.435 -2.914 18.315 1.00 0.00 H new ATOM 0 HB3 CYS A 53 16.937 -3.776 16.873 1.00 0.00 H new ATOM 0 HG CYS A 53 19.006 -4.872 19.060 1.00 0.00 H new ATOM 824 N PHE A 54 20.065 -2.372 14.717 1.00 0.00 N ATOM 825 CA PHE A 54 20.666 -2.743 13.430 1.00 0.00 C ATOM 826 C PHE A 54 20.666 -4.268 13.232 1.00 0.00 C ATOM 827 O PHE A 54 20.382 -4.763 12.140 1.00 0.00 O ATOM 828 CB PHE A 54 22.100 -2.194 13.352 1.00 0.00 C ATOM 829 CG PHE A 54 22.834 -2.514 12.064 1.00 0.00 C ATOM 830 CD1 PHE A 54 23.736 -3.595 12.027 1.00 0.00 C ATOM 831 CD2 PHE A 54 22.636 -1.730 10.913 1.00 0.00 C ATOM 832 CE1 PHE A 54 24.469 -3.862 10.857 1.00 0.00 C ATOM 833 CE2 PHE A 54 23.352 -2.011 9.735 1.00 0.00 C ATOM 834 CZ PHE A 54 24.275 -3.072 9.710 1.00 0.00 C ATOM 0 H PHE A 54 20.702 -1.844 15.314 1.00 0.00 H new ATOM 0 HA PHE A 54 20.067 -2.306 12.632 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.067 -1.112 13.476 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.673 -2.593 14.189 1.00 0.00 H new ATOM 0 HD1 PHE A 54 23.865 -4.220 12.898 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.933 -0.911 10.934 1.00 0.00 H new ATOM 0 HE1 PHE A 54 25.181 -4.674 10.839 1.00 0.00 H new ATOM 0 HE2 PHE A 54 23.193 -1.412 8.850 1.00 0.00 H new ATOM 0 HZ PHE A 54 24.835 -3.280 8.810 1.00 0.00 H new ATOM 844 N ASP A 55 20.941 -5.035 14.292 1.00 0.00 N ATOM 845 CA ASP A 55 20.922 -6.500 14.245 1.00 0.00 C ATOM 846 C ASP A 55 19.488 -7.063 14.134 1.00 0.00 C ATOM 847 O ASP A 55 19.279 -8.085 13.475 1.00 0.00 O ATOM 848 CB ASP A 55 21.704 -7.066 15.434 1.00 0.00 C ATOM 849 CG ASP A 55 23.174 -6.631 15.387 1.00 0.00 C ATOM 850 OD1 ASP A 55 23.623 -5.973 16.353 1.00 0.00 O ATOM 851 OD2 ASP A 55 23.842 -6.947 14.370 1.00 0.00 O ATOM 0 H ASP A 55 21.183 -4.657 15.208 1.00 0.00 H new ATOM 0 HA ASP A 55 21.423 -6.828 13.334 1.00 0.00 H new ATOM 0 HB2 ASP A 55 21.251 -6.727 16.366 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.643 -8.154 15.428 1.00 0.00 H new ATOM 856 N SER A 56 18.480 -6.367 14.678 1.00 0.00 N ATOM 857 CA SER A 56 17.061 -6.724 14.499 1.00 0.00 C ATOM 858 C SER A 56 16.646 -6.486 13.043 1.00 0.00 C ATOM 859 O SER A 56 15.989 -7.333 12.434 1.00 0.00 O ATOM 860 CB SER A 56 16.158 -5.901 15.425 1.00 0.00 C ATOM 861 OG SER A 56 14.791 -6.252 15.258 1.00 0.00 O ATOM 0 H SER A 56 18.623 -5.539 15.256 1.00 0.00 H new ATOM 0 HA SER A 56 16.945 -7.778 14.752 1.00 0.00 H new ATOM 0 HB2 SER A 56 16.453 -6.062 16.462 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.291 -4.839 15.217 1.00 0.00 H new ATOM 0 HG SER A 56 14.239 -5.713 15.862 1.00 0.00 H new ATOM 867 N LEU A 57 17.085 -5.372 12.443 1.00 0.00 N ATOM 868 CA LEU A 57 16.864 -5.048 11.026 1.00 0.00 C ATOM 869 C LEU A 57 17.533 -6.086 10.102 1.00 0.00 C ATOM 870 O LEU A 57 16.982 -6.420 9.051 1.00 0.00 O ATOM 871 CB LEU A 57 17.365 -3.616 10.758 1.00 0.00 C ATOM 872 CG LEU A 57 16.453 -2.544 11.385 1.00 0.00 C ATOM 873 CD1 LEU A 57 17.223 -1.242 11.585 1.00 0.00 C ATOM 874 CD2 LEU A 57 15.246 -2.278 10.483 1.00 0.00 C ATOM 0 H LEU A 57 17.615 -4.655 12.939 1.00 0.00 H new ATOM 0 HA LEU A 57 15.798 -5.090 10.802 1.00 0.00 H new ATOM 0 HB2 LEU A 57 18.374 -3.507 11.156 1.00 0.00 H new ATOM 0 HB3 LEU A 57 17.427 -3.452 9.682 1.00 0.00 H new ATOM 0 HG LEU A 57 16.109 -2.914 12.351 1.00 0.00 H new ATOM 0 HD11 LEU A 57 16.565 -0.495 12.029 1.00 0.00 H new ATOM 0 HD12 LEU A 57 18.070 -1.419 12.247 1.00 0.00 H new ATOM 0 HD13 LEU A 57 17.584 -0.881 10.622 1.00 0.00 H new ATOM 0 HD21 LEU A 57 14.611 -1.519 10.939 1.00 0.00 H new ATOM 0 HD22 LEU A 57 15.589 -1.927 9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.676 -3.199 10.356 1.00 0.00 H new ATOM 886 N LYS A 58 18.676 -6.650 10.522 1.00 0.00 N ATOM 887 CA LYS A 58 19.386 -7.752 9.839 1.00 0.00 C ATOM 888 C LYS A 58 18.676 -9.113 10.035 1.00 0.00 C ATOM 889 O LYS A 58 18.995 -10.089 9.356 1.00 0.00 O ATOM 890 CB LYS A 58 20.836 -7.767 10.365 1.00 0.00 C ATOM 891 CG LYS A 58 21.807 -8.622 9.532 1.00 0.00 C ATOM 892 CD LYS A 58 23.245 -8.585 10.080 1.00 0.00 C ATOM 893 CE LYS A 58 23.884 -7.190 10.095 1.00 0.00 C ATOM 894 NZ LYS A 58 24.014 -6.629 8.733 1.00 0.00 N ATOM 0 H LYS A 58 19.149 -6.345 11.372 1.00 0.00 H new ATOM 0 HA LYS A 58 19.385 -7.586 8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 58 21.208 -6.743 10.397 1.00 0.00 H new ATOM 0 HB3 LYS A 58 20.834 -8.137 11.390 1.00 0.00 H new ATOM 0 HG2 LYS A 58 21.455 -9.653 9.515 1.00 0.00 H new ATOM 0 HG3 LYS A 58 21.805 -8.268 8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 58 23.244 -8.981 11.095 1.00 0.00 H new ATOM 0 HD3 LYS A 58 23.867 -9.249 9.479 1.00 0.00 H new ATOM 0 HE2 LYS A 58 23.280 -6.520 10.707 1.00 0.00 H new ATOM 0 HE3 LYS A 58 24.868 -7.246 10.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 24.465 -5.693 8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 24.597 -7.263 8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 23.071 -6.535 8.305 1.00 0.00 H new ATOM 908 N GLY A 59 17.680 -9.175 10.925 1.00 0.00 N ATOM 909 CA GLY A 59 16.839 -10.341 11.218 1.00 0.00 C ATOM 910 C GLY A 59 17.341 -11.282 12.316 1.00 0.00 C ATOM 911 O GLY A 59 16.726 -12.332 12.523 1.00 0.00 O ATOM 0 H GLY A 59 17.424 -8.367 11.493 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.848 -9.986 11.499 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.722 -10.918 10.300 1.00 0.00 H new ATOM 915 N ARG A 60 18.422 -10.935 13.031 1.00 0.00 N ATOM 916 CA ARG A 60 18.975 -11.747 14.129 1.00 0.00 C ATOM 917 C ARG A 60 19.759 -10.884 15.125 1.00 0.00 C ATOM 918 O ARG A 60 20.958 -10.654 14.954 1.00 0.00 O ATOM 919 CB ARG A 60 19.795 -12.932 13.565 1.00 0.00 C ATOM 920 CG ARG A 60 19.848 -14.127 14.535 1.00 0.00 C ATOM 921 CD ARG A 60 20.820 -13.992 15.713 1.00 0.00 C ATOM 922 NE ARG A 60 22.228 -13.951 15.280 1.00 0.00 N ATOM 923 CZ ARG A 60 23.278 -13.883 16.081 1.00 0.00 C ATOM 924 NH1 ARG A 60 23.170 -13.777 17.380 1.00 0.00 N ATOM 925 NH2 ARG A 60 24.486 -13.925 15.587 1.00 0.00 N ATOM 0 H ARG A 60 18.943 -10.074 12.863 1.00 0.00 H new ATOM 0 HA ARG A 60 18.151 -12.178 14.698 1.00 0.00 H new ATOM 0 HB2 ARG A 60 19.358 -13.255 12.620 1.00 0.00 H new ATOM 0 HB3 ARG A 60 20.810 -12.598 13.350 1.00 0.00 H new ATOM 0 HG2 ARG A 60 18.847 -14.292 14.933 1.00 0.00 H new ATOM 0 HG3 ARG A 60 20.116 -15.018 13.968 1.00 0.00 H new ATOM 0 HD2 ARG A 60 20.588 -13.084 16.270 1.00 0.00 H new ATOM 0 HD3 ARG A 60 20.677 -14.830 16.396 1.00 0.00 H new ATOM 0 HE ARG A 60 22.408 -13.977 14.276 1.00 0.00 H new ATOM 0 HH11 ARG A 60 22.248 -13.744 17.814 1.00 0.00 H new ATOM 0 HH12 ARG A 60 24.008 -13.728 17.959 1.00 0.00 H new ATOM 0 HH21 ARG A 60 24.622 -14.011 14.580 1.00 0.00 H new ATOM 0 HH22 ARG A 60 25.293 -13.872 16.208 1.00 0.00 H new ATOM 939 N CYS A 61 19.055 -10.421 16.159 1.00 0.00 N ATOM 940 CA CYS A 61 19.611 -9.611 17.255 1.00 0.00 C ATOM 941 C CYS A 61 20.823 -10.323 17.908 1.00 0.00 C ATOM 942 O CYS A 61 20.774 -11.531 18.177 1.00 0.00 O ATOM 943 CB CYS A 61 18.487 -9.290 18.257 1.00 0.00 C ATOM 944 SG CYS A 61 18.999 -8.003 19.448 1.00 0.00 S ATOM 0 H CYS A 61 18.057 -10.601 16.264 1.00 0.00 H new ATOM 0 HA CYS A 61 19.995 -8.667 16.869 1.00 0.00 H new ATOM 0 HB2 CYS A 61 17.601 -8.956 17.717 1.00 0.00 H new ATOM 0 HB3 CYS A 61 18.209 -10.196 18.796 1.00 0.00 H new ATOM 0 HG CYS A 61 18.993 -6.843 18.862 1.00 0.00 H new ATOM 949 N SER A 62 21.923 -9.595 18.126 1.00 0.00 N ATOM 950 CA SER A 62 23.207 -10.135 18.618 1.00 0.00 C ATOM 951 C SER A 62 23.884 -9.292 19.718 1.00 0.00 C ATOM 952 O SER A 62 25.110 -9.309 19.873 1.00 0.00 O ATOM 953 CB SER A 62 24.136 -10.380 17.418 1.00 0.00 C ATOM 954 OG SER A 62 24.387 -9.183 16.702 1.00 0.00 O ATOM 0 H SER A 62 21.952 -8.589 17.963 1.00 0.00 H new ATOM 0 HA SER A 62 22.989 -11.078 19.120 1.00 0.00 H new ATOM 0 HB2 SER A 62 25.079 -10.801 17.767 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.685 -11.116 16.752 1.00 0.00 H new ATOM 0 HG SER A 62 24.982 -9.372 15.946 1.00 0.00 H new ATOM 1013 N CYS A 66 20.646 -5.311 25.007 1.00 0.00 N ATOM 1014 CA CYS A 66 20.019 -4.543 23.934 1.00 0.00 C ATOM 1015 C CYS A 66 19.116 -3.443 24.534 1.00 0.00 C ATOM 1016 O CYS A 66 18.318 -3.669 25.453 1.00 0.00 O ATOM 1017 CB CYS A 66 19.259 -5.555 23.051 1.00 0.00 C ATOM 1018 SG CYS A 66 18.705 -4.849 21.464 1.00 0.00 S ATOM 0 HA CYS A 66 20.746 -4.016 23.316 1.00 0.00 H new ATOM 0 HB2 CYS A 66 19.903 -6.412 22.855 1.00 0.00 H new ATOM 0 HB3 CYS A 66 18.393 -5.926 23.598 1.00 0.00 H new ATOM 0 HG CYS A 66 17.737 -5.571 20.982 1.00 0.00 H new ATOM 1023 N LYS A 67 19.335 -2.219 24.039 1.00 0.00 N ATOM 1024 CA LYS A 67 18.766 -0.938 24.506 1.00 0.00 C ATOM 1025 C LYS A 67 18.200 -0.065 23.372 1.00 0.00 C ATOM 1026 O LYS A 67 18.008 1.142 23.524 1.00 0.00 O ATOM 1027 CB LYS A 67 19.848 -0.225 25.345 1.00 0.00 C ATOM 1028 CG LYS A 67 21.142 0.084 24.564 1.00 0.00 C ATOM 1029 CD LYS A 67 22.239 0.627 25.488 1.00 0.00 C ATOM 1030 CE LYS A 67 23.561 0.709 24.721 1.00 0.00 C ATOM 1031 NZ LYS A 67 24.657 1.174 25.594 1.00 0.00 N ATOM 0 H LYS A 67 19.959 -2.082 23.244 1.00 0.00 H new ATOM 0 HA LYS A 67 17.892 -1.135 25.126 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.438 0.708 25.732 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.094 -0.847 26.206 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.495 -0.821 24.070 1.00 0.00 H new ATOM 0 HG3 LYS A 67 20.931 0.812 23.781 1.00 0.00 H new ATOM 0 HD2 LYS A 67 21.961 1.613 25.860 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.351 -0.021 26.357 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.809 -0.271 24.312 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.453 1.389 23.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 25.541 1.220 25.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 24.429 2.119 25.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.774 0.511 26.387 1.00 0.00 H new ATOM 1045 N TYR A 68 17.920 -0.694 22.235 1.00 0.00 N ATOM 1046 CA TYR A 68 17.380 -0.095 21.015 1.00 0.00 C ATOM 1047 C TYR A 68 15.965 -0.637 20.716 1.00 0.00 C ATOM 1048 O TYR A 68 15.518 -1.619 21.316 1.00 0.00 O ATOM 1049 CB TYR A 68 18.363 -0.417 19.875 1.00 0.00 C ATOM 1050 CG TYR A 68 19.771 0.150 20.020 1.00 0.00 C ATOM 1051 CD1 TYR A 68 19.963 1.537 20.183 1.00 0.00 C ATOM 1052 CD2 TYR A 68 20.892 -0.702 19.939 1.00 0.00 C ATOM 1053 CE1 TYR A 68 21.264 2.075 20.224 1.00 0.00 C ATOM 1054 CE2 TYR A 68 22.198 -0.171 19.985 1.00 0.00 C ATOM 1055 CZ TYR A 68 22.386 1.224 20.101 1.00 0.00 C ATOM 1056 OH TYR A 68 23.642 1.745 20.063 1.00 0.00 O ATOM 0 H TYR A 68 18.073 -1.697 22.133 1.00 0.00 H new ATOM 0 HA TYR A 68 17.278 0.984 21.126 1.00 0.00 H new ATOM 0 HB2 TYR A 68 18.438 -1.501 19.783 1.00 0.00 H new ATOM 0 HB3 TYR A 68 17.939 -0.046 18.942 1.00 0.00 H new ATOM 0 HD1 TYR A 68 19.108 2.190 20.277 1.00 0.00 H new ATOM 0 HD2 TYR A 68 20.750 -1.768 19.841 1.00 0.00 H new ATOM 0 HE1 TYR A 68 21.404 3.138 20.349 1.00 0.00 H new ATOM 0 HE2 TYR A 68 23.052 -0.830 19.932 1.00 0.00 H new ATOM 0 HH TYR A 68 24.295 1.019 19.977 1.00 0.00 H new ATOM 1066 N LEU A 69 15.243 -0.014 19.778 1.00 0.00 N ATOM 1067 CA LEU A 69 13.883 -0.413 19.393 1.00 0.00 C ATOM 1068 C LEU A 69 13.911 -1.536 18.341 1.00 0.00 C ATOM 1069 O LEU A 69 14.647 -1.448 17.360 1.00 0.00 O ATOM 1070 CB LEU A 69 13.197 0.833 18.793 1.00 0.00 C ATOM 1071 CG LEU A 69 11.831 0.603 18.116 1.00 0.00 C ATOM 1072 CD1 LEU A 69 10.741 0.270 19.134 1.00 0.00 C ATOM 1073 CD2 LEU A 69 11.435 1.864 17.353 1.00 0.00 C ATOM 0 H LEU A 69 15.590 0.792 19.258 1.00 0.00 H new ATOM 0 HA LEU A 69 13.346 -0.788 20.264 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.065 1.567 19.588 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.872 1.275 18.060 1.00 0.00 H new ATOM 0 HG LEU A 69 11.928 -0.245 17.438 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.794 0.115 18.616 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.012 -0.638 19.673 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.638 1.094 19.840 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.470 1.710 16.871 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.364 2.702 18.047 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.188 2.082 16.596 1.00 0.00 H new ATOM 1085 N HIS A 70 13.078 -2.569 18.511 1.00 0.00 N ATOM 1086 CA HIS A 70 12.892 -3.626 17.508 1.00 0.00 C ATOM 1087 C HIS A 70 11.634 -3.268 16.682 1.00 0.00 C ATOM 1088 O HIS A 70 10.518 -3.425 17.189 1.00 0.00 O ATOM 1089 CB HIS A 70 12.709 -4.986 18.208 1.00 0.00 C ATOM 1090 CG HIS A 70 13.968 -5.621 18.748 1.00 0.00 C ATOM 1091 ND1 HIS A 70 14.104 -6.943 19.119 1.00 0.00 N ATOM 1092 CD2 HIS A 70 15.207 -5.047 18.876 1.00 0.00 C ATOM 1093 CE1 HIS A 70 15.394 -7.161 19.433 1.00 0.00 C ATOM 1094 NE2 HIS A 70 16.107 -6.031 19.298 1.00 0.00 N ATOM 0 H HIS A 70 12.512 -2.697 19.350 1.00 0.00 H new ATOM 0 HA HIS A 70 13.762 -3.700 16.856 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.007 -4.858 19.032 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.249 -5.678 17.502 1.00 0.00 H new ATOM 0 HD1 HIS A 70 13.356 -7.635 19.150 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.447 -4.012 18.684 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.799 -8.111 19.749 1.00 0.00 H new ATOM 1102 N PRO A 71 11.766 -2.780 15.432 1.00 0.00 N ATOM 1103 CA PRO A 71 10.618 -2.373 14.622 1.00 0.00 C ATOM 1104 C PRO A 71 9.914 -3.557 13.925 1.00 0.00 C ATOM 1105 O PRO A 71 10.588 -4.474 13.447 1.00 0.00 O ATOM 1106 CB PRO A 71 11.204 -1.410 13.585 1.00 0.00 C ATOM 1107 CG PRO A 71 12.622 -1.932 13.366 1.00 0.00 C ATOM 1108 CD PRO A 71 13.011 -2.498 14.728 1.00 0.00 C ATOM 0 HA PRO A 71 9.846 -1.921 15.245 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.627 -1.418 12.660 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.207 -0.383 13.950 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.652 -2.697 12.591 1.00 0.00 H new ATOM 0 HG3 PRO A 71 13.298 -1.136 13.055 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.606 -3.404 14.615 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.618 -1.785 15.285 1.00 0.00 H new ATOM 1116 N PRO A 72 8.572 -3.542 13.802 1.00 0.00 N ATOM 1117 CA PRO A 72 7.817 -4.557 13.064 1.00 0.00 C ATOM 1118 C PRO A 72 8.001 -4.377 11.543 1.00 0.00 C ATOM 1119 O PRO A 72 8.391 -3.289 11.104 1.00 0.00 O ATOM 1120 CB PRO A 72 6.360 -4.331 13.477 1.00 0.00 C ATOM 1121 CG PRO A 72 6.307 -2.821 13.702 1.00 0.00 C ATOM 1122 CD PRO A 72 7.667 -2.532 14.329 1.00 0.00 C ATOM 0 HA PRO A 72 8.152 -5.570 13.289 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.665 -4.650 12.700 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.104 -4.885 14.381 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.167 -2.276 12.768 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.487 -2.538 14.362 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.010 -1.529 14.074 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.615 -2.584 15.417 1.00 0.00 H new ATOM 1130 N PRO A 73 7.704 -5.395 10.709 1.00 0.00 N ATOM 1131 CA PRO A 73 7.857 -5.344 9.249 1.00 0.00 C ATOM 1132 C PRO A 73 7.381 -4.055 8.556 1.00 0.00 C ATOM 1133 O PRO A 73 8.096 -3.531 7.700 1.00 0.00 O ATOM 1134 CB PRO A 73 7.126 -6.582 8.721 1.00 0.00 C ATOM 1135 CG PRO A 73 7.302 -7.587 9.857 1.00 0.00 C ATOM 1136 CD PRO A 73 7.225 -6.714 11.109 1.00 0.00 C ATOM 0 HA PRO A 73 8.921 -5.338 9.011 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.074 -6.377 8.522 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.562 -6.943 7.790 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.521 -8.347 9.847 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.256 -8.110 9.788 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.203 -6.661 11.485 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.839 -7.126 11.910 1.00 0.00 H new ATOM 1144 N HIS A 74 6.215 -3.502 8.929 1.00 0.00 N ATOM 1145 CA HIS A 74 5.714 -2.253 8.324 1.00 0.00 C ATOM 1146 C HIS A 74 6.612 -1.034 8.603 1.00 0.00 C ATOM 1147 O HIS A 74 6.756 -0.176 7.733 1.00 0.00 O ATOM 1148 CB HIS A 74 4.240 -2.005 8.691 1.00 0.00 C ATOM 1149 CG HIS A 74 3.983 -1.491 10.087 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.778 -2.254 11.223 1.00 0.00 N ATOM 1151 CD2 HIS A 74 3.808 -0.178 10.433 1.00 0.00 C ATOM 1152 CE1 HIS A 74 3.490 -1.418 12.239 1.00 0.00 C ATOM 1153 NE2 HIS A 74 3.509 -0.154 11.781 1.00 0.00 N ATOM 0 H HIS A 74 5.603 -3.897 9.643 1.00 0.00 H new ATOM 0 HA HIS A 74 5.759 -2.392 7.244 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.824 -1.291 7.980 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.692 -2.938 8.562 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.888 0.676 9.777 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.278 -1.715 13.256 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.332 0.683 12.337 1.00 0.00 H new ATOM 1162 N LEU A 75 7.273 -0.978 9.768 1.00 0.00 N ATOM 1163 CA LEU A 75 8.242 0.077 10.099 1.00 0.00 C ATOM 1164 C LEU A 75 9.641 -0.251 9.550 1.00 0.00 C ATOM 1165 O LEU A 75 10.370 0.678 9.211 1.00 0.00 O ATOM 1166 CB LEU A 75 8.277 0.368 11.612 1.00 0.00 C ATOM 1167 CG LEU A 75 6.976 0.939 12.213 1.00 0.00 C ATOM 1168 CD1 LEU A 75 7.214 1.406 13.653 1.00 0.00 C ATOM 1169 CD2 LEU A 75 6.424 2.143 11.443 1.00 0.00 C ATOM 0 H LEU A 75 7.150 -1.666 10.511 1.00 0.00 H new ATOM 0 HA LEU A 75 7.906 0.990 9.607 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.523 -0.556 12.136 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.086 1.071 11.810 1.00 0.00 H new ATOM 0 HG LEU A 75 6.254 0.124 12.159 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.287 1.806 14.064 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.545 0.563 14.259 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.980 2.182 13.662 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.509 2.492 11.921 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.162 2.945 11.443 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.207 1.850 10.416 1.00 0.00 H new ATOM 1181 N LYS A 76 10.010 -1.534 9.375 1.00 0.00 N ATOM 1182 CA LYS A 76 11.283 -1.914 8.723 1.00 0.00 C ATOM 1183 C LYS A 76 11.361 -1.322 7.310 1.00 0.00 C ATOM 1184 O LYS A 76 12.406 -0.809 6.923 1.00 0.00 O ATOM 1185 CB LYS A 76 11.494 -3.440 8.683 1.00 0.00 C ATOM 1186 CG LYS A 76 11.728 -4.042 10.075 1.00 0.00 C ATOM 1187 CD LYS A 76 12.208 -5.499 9.993 1.00 0.00 C ATOM 1188 CE LYS A 76 12.361 -6.160 11.372 1.00 0.00 C ATOM 1189 NZ LYS A 76 13.380 -5.498 12.213 1.00 0.00 N ATOM 0 H LYS A 76 9.445 -2.328 9.676 1.00 0.00 H new ATOM 0 HA LYS A 76 12.088 -1.498 9.329 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.622 -3.911 8.230 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.348 -3.668 8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.467 -3.445 10.609 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.804 -3.996 10.651 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.501 -6.076 9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.165 -5.532 9.473 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.401 -6.140 11.888 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.630 -7.208 11.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.108 -6.189 12.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.821 -4.722 11.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.929 -5.116 13.069 1.00 0.00 H new ATOM 1203 N THR A 77 10.250 -1.315 6.566 1.00 0.00 N ATOM 1204 CA THR A 77 10.175 -0.676 5.238 1.00 0.00 C ATOM 1205 C THR A 77 10.469 0.827 5.323 1.00 0.00 C ATOM 1206 O THR A 77 11.263 1.345 4.537 1.00 0.00 O ATOM 1207 CB THR A 77 8.802 -0.904 4.584 1.00 0.00 C ATOM 1208 OG1 THR A 77 8.554 -2.289 4.475 1.00 0.00 O ATOM 1209 CG2 THR A 77 8.741 -0.320 3.172 1.00 0.00 C ATOM 0 H THR A 77 9.376 -1.750 6.862 1.00 0.00 H new ATOM 0 HA THR A 77 10.938 -1.144 4.616 1.00 0.00 H new ATOM 0 HB THR A 77 8.061 -0.410 5.213 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.678 -2.433 4.060 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.755 -0.502 2.745 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.926 0.753 3.214 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.499 -0.794 2.549 1.00 0.00 H new ATOM 1217 N GLN A 78 9.892 1.533 6.305 1.00 0.00 N ATOM 1218 CA GLN A 78 10.155 2.965 6.516 1.00 0.00 C ATOM 1219 C GLN A 78 11.627 3.208 6.890 1.00 0.00 C ATOM 1220 O GLN A 78 12.231 4.177 6.428 1.00 0.00 O ATOM 1221 CB GLN A 78 9.218 3.545 7.592 1.00 0.00 C ATOM 1222 CG GLN A 78 7.720 3.398 7.273 1.00 0.00 C ATOM 1223 CD GLN A 78 7.325 4.048 5.947 1.00 0.00 C ATOM 1224 OE1 GLN A 78 7.189 3.398 4.919 1.00 0.00 O ATOM 1225 NE2 GLN A 78 7.135 5.351 5.910 1.00 0.00 N ATOM 0 H GLN A 78 9.233 1.131 6.972 1.00 0.00 H new ATOM 0 HA GLN A 78 9.955 3.481 5.577 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.425 3.052 8.542 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.447 4.602 7.725 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.463 2.339 7.243 1.00 0.00 H new ATOM 0 HG3 GLN A 78 7.137 3.845 8.078 1.00 0.00 H new ATOM 0 HE21 GLN A 78 7.245 5.907 6.758 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.878 5.804 5.033 1.00 0.00 H new ATOM 1234 N LEU A 79 12.221 2.307 7.680 1.00 0.00 N ATOM 1235 CA LEU A 79 13.632 2.343 8.068 1.00 0.00 C ATOM 1236 C LEU A 79 14.539 2.176 6.836 1.00 0.00 C ATOM 1237 O LEU A 79 15.484 2.937 6.665 1.00 0.00 O ATOM 1238 CB LEU A 79 13.870 1.253 9.136 1.00 0.00 C ATOM 1239 CG LEU A 79 15.048 1.463 10.105 1.00 0.00 C ATOM 1240 CD1 LEU A 79 16.420 1.482 9.436 1.00 0.00 C ATOM 1241 CD2 LEU A 79 14.882 2.724 10.943 1.00 0.00 C ATOM 0 H LEU A 79 11.719 1.513 8.077 1.00 0.00 H new ATOM 0 HA LEU A 79 13.886 3.311 8.500 1.00 0.00 H new ATOM 0 HB2 LEU A 79 12.960 1.155 9.727 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.020 0.304 8.622 1.00 0.00 H new ATOM 0 HG LEU A 79 15.017 0.585 10.750 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.191 1.635 10.191 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.591 0.532 8.930 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.459 2.293 8.709 1.00 0.00 H new ATOM 0 HD21 LEU A 79 15.736 2.831 11.612 1.00 0.00 H new ATOM 0 HD22 LEU A 79 14.824 3.592 10.286 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.967 2.652 11.531 1.00 0.00 H new ATOM 1253 N GLU A 80 14.236 1.237 5.931 1.00 0.00 N ATOM 1254 CA GLU A 80 14.999 1.041 4.686 1.00 0.00 C ATOM 1255 C GLU A 80 14.930 2.282 3.775 1.00 0.00 C ATOM 1256 O GLU A 80 15.949 2.699 3.217 1.00 0.00 O ATOM 1257 CB GLU A 80 14.488 -0.205 3.944 1.00 0.00 C ATOM 1258 CG GLU A 80 14.904 -1.506 4.645 1.00 0.00 C ATOM 1259 CD GLU A 80 14.240 -2.719 3.983 1.00 0.00 C ATOM 1260 OE1 GLU A 80 14.865 -3.304 3.065 1.00 0.00 O ATOM 1261 OE2 GLU A 80 13.104 -3.065 4.386 1.00 0.00 O ATOM 0 H GLU A 80 13.455 0.590 6.039 1.00 0.00 H new ATOM 0 HA GLU A 80 16.045 0.891 4.953 1.00 0.00 H new ATOM 0 HB2 GLU A 80 13.401 -0.164 3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 80 14.874 -0.203 2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.988 -1.614 4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 80 14.624 -1.462 5.698 1.00 0.00 H new ATOM 1268 N ILE A 81 13.748 2.905 3.664 1.00 0.00 N ATOM 1269 CA ILE A 81 13.541 4.148 2.899 1.00 0.00 C ATOM 1270 C ILE A 81 14.363 5.288 3.525 1.00 0.00 C ATOM 1271 O ILE A 81 15.096 5.977 2.813 1.00 0.00 O ATOM 1272 CB ILE A 81 12.030 4.473 2.806 1.00 0.00 C ATOM 1273 CG1 ILE A 81 11.325 3.430 1.904 1.00 0.00 C ATOM 1274 CG2 ILE A 81 11.782 5.891 2.257 1.00 0.00 C ATOM 1275 CD1 ILE A 81 9.794 3.448 2.006 1.00 0.00 C ATOM 0 H ILE A 81 12.898 2.558 4.107 1.00 0.00 H new ATOM 0 HA ILE A 81 13.897 4.021 1.877 1.00 0.00 H new ATOM 0 HB ILE A 81 11.617 4.431 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 81 11.612 3.609 0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.685 2.435 2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.710 6.080 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.249 6.623 2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 81 12.212 5.975 1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.376 2.689 1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.495 3.238 3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.421 4.430 1.713 1.00 0.00 H new ATOM 1287 N ASN A 82 14.303 5.457 4.854 1.00 0.00 N ATOM 1288 CA ASN A 82 15.106 6.443 5.587 1.00 0.00 C ATOM 1289 C ASN A 82 16.610 6.177 5.376 1.00 0.00 C ATOM 1290 O ASN A 82 17.377 7.108 5.140 1.00 0.00 O ATOM 1291 CB ASN A 82 14.710 6.409 7.078 1.00 0.00 C ATOM 1292 CG ASN A 82 15.360 7.498 7.918 1.00 0.00 C ATOM 1293 OD1 ASN A 82 15.867 8.498 7.431 1.00 0.00 O ATOM 1294 ND2 ASN A 82 15.350 7.344 9.220 1.00 0.00 N ATOM 0 H ASN A 82 13.689 4.907 5.455 1.00 0.00 H new ATOM 0 HA ASN A 82 14.907 7.445 5.205 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.627 6.502 7.157 1.00 0.00 H new ATOM 0 HB3 ASN A 82 14.978 5.437 7.492 1.00 0.00 H new ATOM 0 HD21 ASN A 82 15.764 8.057 9.821 1.00 0.00 H new ATOM 0 HD22 ASN A 82 14.928 6.512 9.632 1.00 0.00 H new ATOM 1301 N GLY A 83 17.017 4.904 5.395 1.00 0.00 N ATOM 1302 CA GLY A 83 18.379 4.439 5.136 1.00 0.00 C ATOM 1303 C GLY A 83 18.928 4.969 3.819 1.00 0.00 C ATOM 1304 O GLY A 83 19.907 5.715 3.816 1.00 0.00 O ATOM 0 H GLY A 83 16.376 4.137 5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 83 19.030 4.754 5.952 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.392 3.349 5.121 1.00 0.00 H new