USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=23 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 12 LYS NZ :NH3+ -178:sc= 0.46 (180deg=0) USER MOD Set 1.2: A 82 ASN : amide:sc= 0.493 K(o=0.95,f=-0.88) USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 76 LYS NZ :NH3+ -158:sc= 0.506 (180deg=0.278) USER MOD Set 3.1: A 53 CYS SG : rot 130:sc= 1.21 USER MOD Set 3.2: A 61 CYS SG : rot 69:sc= 1.01 USER MOD Set 3.3: A 66 CYS SG : rot 152:sc= 0.985 USER MOD Set 3.4: A 70 HIS : no HD1:sc= 0.0307 X(o=3.2,f=2.7) USER MOD Set 4.1: A 44 GLN : amide:sc= -0.0673 X(o=0.0037,f=-0.14) USER MOD Set 4.2: A 67 LYS NZ :NH3+ 163:sc= 0.071 (180deg=0) USER MOD Set 5.1: A 40 SER OG : rot -54:sc= 0.773 USER MOD Set 5.2: A 43 CYS SG : rot 180:sc= 1.03 USER MOD Set 6.1: A 19 CYS SG : rot 135:sc= 1.01 USER MOD Set 6.2: A 27 CYS SG : rot 142:sc= 0.778 USER MOD Set 6.3: A 34 CYS SG : rot 134:sc= 0.842 USER MOD Set 6.4: A 38 HIS : no HD1:sc= -0.243 K(o=2.4,f=0.31) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00363 USER MOD Single : A 23 GLN : amide:sc= -1.31! K(o=-1.3!,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000596) 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 47 ASN : amide:sc= 0.645 K(o=0.64,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 150:sc= 0.0211 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.098) USER MOD Single : A 77 THR OG1 : rot 72:sc= 0.609 USER MOD Single : A 78 GLN : amide:sc= 0.485 K(o=0.49,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 142 N ASP A 10 25.799 8.663 11.715 1.00 0.00 N ATOM 143 CA ASP A 10 24.528 9.402 11.655 1.00 0.00 C ATOM 144 C ASP A 10 23.325 8.581 12.158 1.00 0.00 C ATOM 145 O ASP A 10 22.736 7.788 11.436 1.00 0.00 O ATOM 146 CB ASP A 10 24.340 9.846 10.192 1.00 0.00 C ATOM 147 CG ASP A 10 23.055 10.638 9.935 1.00 0.00 C ATOM 148 OD1 ASP A 10 22.452 11.141 10.912 1.00 0.00 O ATOM 149 OD2 ASP A 10 22.685 10.739 8.741 1.00 0.00 O ATOM 0 HA ASP A 10 24.573 10.261 12.325 1.00 0.00 H new ATOM 0 HB2 ASP A 10 25.194 10.456 9.897 1.00 0.00 H new ATOM 0 HB3 ASP A 10 24.343 8.963 9.553 1.00 0.00 H new ATOM 154 N THR A 11 22.898 8.804 13.396 1.00 0.00 N ATOM 155 CA THR A 11 21.750 8.109 14.014 1.00 0.00 C ATOM 156 C THR A 11 20.390 8.377 13.354 1.00 0.00 C ATOM 157 O THR A 11 19.471 7.581 13.559 1.00 0.00 O ATOM 158 CB THR A 11 21.637 8.451 15.509 1.00 0.00 C ATOM 159 OG1 THR A 11 21.675 9.852 15.688 1.00 0.00 O ATOM 160 CG2 THR A 11 22.786 7.844 16.316 1.00 0.00 C ATOM 0 H THR A 11 23.340 9.482 14.017 1.00 0.00 H new ATOM 0 HA THR A 11 21.972 7.053 13.863 1.00 0.00 H new ATOM 0 HB THR A 11 20.692 8.038 15.862 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.601 10.062 16.642 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.671 8.108 17.367 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.772 6.759 16.210 1.00 0.00 H new ATOM 0 HG23 THR A 11 23.735 8.232 15.946 1.00 0.00 H new ATOM 168 N LYS A 12 20.229 9.441 12.545 1.00 0.00 N ATOM 169 CA LYS A 12 18.936 9.786 11.909 1.00 0.00 C ATOM 170 C LYS A 12 18.367 8.678 11.020 1.00 0.00 C ATOM 171 O LYS A 12 17.147 8.547 10.900 1.00 0.00 O ATOM 172 CB LYS A 12 19.007 11.156 11.197 1.00 0.00 C ATOM 173 CG LYS A 12 19.458 11.145 9.722 1.00 0.00 C ATOM 174 CD LYS A 12 18.291 11.035 8.725 1.00 0.00 C ATOM 175 CE LYS A 12 18.831 10.917 7.299 1.00 0.00 C ATOM 176 NZ LYS A 12 17.740 10.695 6.328 1.00 0.00 N ATOM 0 H LYS A 12 20.985 10.085 12.312 1.00 0.00 H new ATOM 0 HA LYS A 12 18.213 9.879 12.719 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.021 11.618 11.248 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.689 11.796 11.757 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.018 12.057 9.515 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.140 10.309 9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.678 10.166 8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.647 11.911 8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.374 11.825 7.037 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.542 10.093 7.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.141 10.585 5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.217 9.834 6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.093 11.510 6.340 1.00 0.00 H new ATOM 190 N TRP A 13 19.237 7.870 10.406 1.00 0.00 N ATOM 191 CA TRP A 13 18.818 6.748 9.561 1.00 0.00 C ATOM 192 C TRP A 13 18.427 5.504 10.379 1.00 0.00 C ATOM 193 O TRP A 13 17.762 4.624 9.842 1.00 0.00 O ATOM 194 CB TRP A 13 19.873 6.449 8.486 1.00 0.00 C ATOM 195 CG TRP A 13 20.994 5.515 8.838 1.00 0.00 C ATOM 196 CD1 TRP A 13 22.235 5.881 9.230 1.00 0.00 C ATOM 197 CD2 TRP A 13 21.016 4.052 8.784 1.00 0.00 C ATOM 198 NE1 TRP A 13 23.012 4.759 9.448 1.00 0.00 N ATOM 199 CE2 TRP A 13 22.309 3.600 9.191 1.00 0.00 C ATOM 200 CE3 TRP A 13 20.075 3.062 8.424 1.00 0.00 C ATOM 201 CZ2 TRP A 13 22.641 2.237 9.249 1.00 0.00 C ATOM 202 CZ3 TRP A 13 20.394 1.694 8.486 1.00 0.00 C ATOM 203 CH2 TRP A 13 21.671 1.282 8.898 1.00 0.00 C ATOM 0 H TRP A 13 20.249 7.975 10.481 1.00 0.00 H new ATOM 0 HA TRP A 13 17.907 7.049 9.044 1.00 0.00 H new ATOM 0 HB2 TRP A 13 19.358 6.039 7.617 1.00 0.00 H new ATOM 0 HB3 TRP A 13 20.313 7.397 8.177 1.00 0.00 H new ATOM 0 HD1 TRP A 13 22.570 6.900 9.354 1.00 0.00 H new ATOM 0 HE1 TRP A 13 23.983 4.785 9.760 1.00 0.00 H new ATOM 0 HE3 TRP A 13 19.091 3.362 8.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 23.628 1.927 9.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 19.653 0.957 8.215 1.00 0.00 H new ATOM 0 HH2 TRP A 13 21.909 0.230 8.945 1.00 0.00 H new ATOM 214 N LEU A 14 18.792 5.446 11.668 1.00 0.00 N ATOM 215 CA LEU A 14 18.489 4.351 12.603 1.00 0.00 C ATOM 216 C LEU A 14 17.389 4.701 13.623 1.00 0.00 C ATOM 217 O LEU A 14 16.855 3.795 14.262 1.00 0.00 O ATOM 218 CB LEU A 14 19.785 3.915 13.316 1.00 0.00 C ATOM 219 CG LEU A 14 20.641 2.959 12.465 1.00 0.00 C ATOM 220 CD1 LEU A 14 22.082 2.944 12.974 1.00 0.00 C ATOM 221 CD2 LEU A 14 20.110 1.523 12.511 1.00 0.00 C ATOM 0 H LEU A 14 19.330 6.193 12.107 1.00 0.00 H new ATOM 0 HA LEU A 14 18.090 3.524 12.016 1.00 0.00 H new ATOM 0 HB2 LEU A 14 20.373 4.799 13.564 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.530 3.427 14.257 1.00 0.00 H new ATOM 0 HG LEU A 14 20.596 3.325 11.439 1.00 0.00 H new ATOM 0 HD11 LEU A 14 22.676 2.264 12.364 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.501 3.948 12.911 1.00 0.00 H new ATOM 0 HD13 LEU A 14 22.098 2.609 14.011 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.743 0.881 11.898 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.119 1.164 13.540 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.090 1.500 12.128 1.00 0.00 H new ATOM 233 N THR A 15 17.026 5.974 13.804 1.00 0.00 N ATOM 234 CA THR A 15 15.947 6.369 14.729 1.00 0.00 C ATOM 235 C THR A 15 14.538 6.181 14.148 1.00 0.00 C ATOM 236 O THR A 15 14.310 6.342 12.948 1.00 0.00 O ATOM 237 CB THR A 15 16.055 7.840 15.172 1.00 0.00 C ATOM 238 OG1 THR A 15 16.401 8.698 14.104 1.00 0.00 O ATOM 239 CG2 THR A 15 17.079 8.029 16.287 1.00 0.00 C ATOM 0 H THR A 15 17.464 6.758 13.320 1.00 0.00 H new ATOM 0 HA THR A 15 16.084 5.700 15.579 1.00 0.00 H new ATOM 0 HB THR A 15 15.063 8.103 15.539 1.00 0.00 H new ATOM 0 HG1 THR A 15 16.457 9.620 14.430 1.00 0.00 H new ATOM 0 HG21 THR A 15 17.121 9.081 16.567 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.788 7.434 17.153 1.00 0.00 H new ATOM 0 HG23 THR A 15 18.060 7.707 15.938 1.00 0.00 H new ATOM 247 N LEU A 16 13.572 5.933 15.040 1.00 0.00 N ATOM 248 CA LEU A 16 12.127 5.859 14.778 1.00 0.00 C ATOM 249 C LEU A 16 11.389 6.707 15.825 1.00 0.00 C ATOM 250 O LEU A 16 11.877 6.897 16.941 1.00 0.00 O ATOM 251 CB LEU A 16 11.636 4.400 14.764 1.00 0.00 C ATOM 252 CG LEU A 16 12.021 3.597 13.505 1.00 0.00 C ATOM 253 CD1 LEU A 16 11.483 2.171 13.619 1.00 0.00 C ATOM 254 CD2 LEU A 16 11.442 4.197 12.218 1.00 0.00 C ATOM 0 H LEU A 16 13.789 5.769 16.023 1.00 0.00 H new ATOM 0 HA LEU A 16 11.914 6.261 13.788 1.00 0.00 H new ATOM 0 HB2 LEU A 16 12.036 3.889 15.640 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.550 4.396 14.861 1.00 0.00 H new ATOM 0 HG LEU A 16 13.109 3.620 13.447 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.757 1.606 12.728 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.911 1.690 14.499 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.397 2.198 13.712 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.746 3.590 11.365 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.354 4.214 12.282 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.814 5.214 12.091 1.00 0.00 H new ATOM 266 N GLU A 17 10.231 7.255 15.455 1.00 0.00 N ATOM 267 CA GLU A 17 9.446 8.152 16.314 1.00 0.00 C ATOM 268 C GLU A 17 8.464 7.414 17.235 1.00 0.00 C ATOM 269 O GLU A 17 7.795 6.459 16.835 1.00 0.00 O ATOM 270 CB GLU A 17 8.751 9.203 15.429 1.00 0.00 C ATOM 271 CG GLU A 17 8.089 10.326 16.238 1.00 0.00 C ATOM 272 CD GLU A 17 7.705 11.513 15.348 1.00 0.00 C ATOM 273 OE1 GLU A 17 6.527 11.582 14.926 1.00 0.00 O ATOM 274 OE2 GLU A 17 8.594 12.363 15.096 1.00 0.00 O ATOM 0 H GLU A 17 9.805 7.089 14.543 1.00 0.00 H new ATOM 0 HA GLU A 17 10.129 8.653 17.000 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.483 9.637 14.747 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.996 8.711 14.816 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.199 9.941 16.735 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.770 10.662 17.020 1.00 0.00 H new ATOM 281 N VAL A 18 8.375 7.890 18.479 1.00 0.00 N ATOM 282 CA VAL A 18 7.477 7.381 19.525 1.00 0.00 C ATOM 283 C VAL A 18 6.065 7.935 19.310 1.00 0.00 C ATOM 284 O VAL A 18 5.904 9.111 18.966 1.00 0.00 O ATOM 285 CB VAL A 18 8.013 7.766 20.922 1.00 0.00 C ATOM 286 CG1 VAL A 18 7.109 7.275 22.058 1.00 0.00 C ATOM 287 CG2 VAL A 18 9.400 7.154 21.146 1.00 0.00 C ATOM 0 H VAL A 18 8.947 8.671 18.800 1.00 0.00 H new ATOM 0 HA VAL A 18 7.436 6.293 19.466 1.00 0.00 H new ATOM 0 HB VAL A 18 8.049 8.855 20.941 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.534 7.574 23.016 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.117 7.713 21.949 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.032 6.188 22.018 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.766 7.433 22.134 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.334 6.068 21.077 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.088 7.525 20.386 1.00 0.00 H new ATOM 297 N CYS A 19 5.040 7.103 19.519 1.00 0.00 N ATOM 298 CA CYS A 19 3.635 7.483 19.366 1.00 0.00 C ATOM 299 C CYS A 19 3.283 8.692 20.253 1.00 0.00 C ATOM 300 O CYS A 19 3.625 8.754 21.442 1.00 0.00 O ATOM 301 CB CYS A 19 2.771 6.248 19.636 1.00 0.00 C ATOM 302 SG CYS A 19 1.012 6.517 19.246 1.00 0.00 S ATOM 0 H CYS A 19 5.167 6.132 19.804 1.00 0.00 H new ATOM 0 HA CYS A 19 3.436 7.817 18.348 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.146 5.412 19.045 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.867 5.966 20.684 1.00 0.00 H new ATOM 0 HG CYS A 19 0.555 5.500 18.578 1.00 0.00 H new ATOM 307 N ARG A 20 2.643 9.698 19.648 1.00 0.00 N ATOM 308 CA ARG A 20 2.308 10.973 20.305 1.00 0.00 C ATOM 309 C ARG A 20 1.301 10.786 21.445 1.00 0.00 C ATOM 310 O ARG A 20 1.374 11.475 22.460 1.00 0.00 O ATOM 311 CB ARG A 20 1.813 12.013 19.277 1.00 0.00 C ATOM 312 CG ARG A 20 2.544 12.059 17.915 1.00 0.00 C ATOM 313 CD ARG A 20 4.080 11.968 17.936 1.00 0.00 C ATOM 314 NE ARG A 20 4.720 13.051 18.702 1.00 0.00 N ATOM 315 CZ ARG A 20 5.961 13.037 19.161 1.00 0.00 C ATOM 316 NH1 ARG A 20 6.463 14.101 19.722 1.00 0.00 N ATOM 317 NH2 ARG A 20 6.733 11.981 19.096 1.00 0.00 N ATOM 0 H ARG A 20 2.338 9.653 18.676 1.00 0.00 H new ATOM 0 HA ARG A 20 3.224 11.356 20.754 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.756 11.825 19.088 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.885 13.000 19.733 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.166 11.241 17.301 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.268 12.987 17.415 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.374 11.009 18.362 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.452 11.989 16.912 1.00 0.00 H new ATOM 0 HE ARG A 20 4.160 13.881 18.895 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.899 14.947 19.808 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.420 14.088 20.075 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.384 11.119 18.677 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.683 12.021 19.464 1.00 0.00 H new ATOM 331 N GLU A 21 0.391 9.823 21.295 1.00 0.00 N ATOM 332 CA GLU A 21 -0.611 9.456 22.301 1.00 0.00 C ATOM 333 C GLU A 21 -0.031 8.552 23.404 1.00 0.00 C ATOM 334 O GLU A 21 -0.446 8.660 24.560 1.00 0.00 O ATOM 335 CB GLU A 21 -1.804 8.781 21.608 1.00 0.00 C ATOM 336 CG GLU A 21 -2.662 9.790 20.835 1.00 0.00 C ATOM 337 CD GLU A 21 -3.890 9.114 20.213 1.00 0.00 C ATOM 338 OE1 GLU A 21 -3.928 8.982 18.965 1.00 0.00 O ATOM 339 OE2 GLU A 21 -4.812 8.750 20.983 1.00 0.00 O ATOM 0 H GLU A 21 0.327 9.260 20.447 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.944 10.369 22.795 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.440 8.014 20.924 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.419 8.277 22.353 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.983 10.587 21.506 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.064 10.255 20.051 1.00 0.00 H new ATOM 346 N PHE A 22 0.949 7.693 23.095 1.00 0.00 N ATOM 347 CA PHE A 22 1.621 6.825 24.076 1.00 0.00 C ATOM 348 C PHE A 22 2.361 7.648 25.142 1.00 0.00 C ATOM 349 O PHE A 22 2.291 7.343 26.333 1.00 0.00 O ATOM 350 CB PHE A 22 2.584 5.895 23.331 1.00 0.00 C ATOM 351 CG PHE A 22 3.366 4.924 24.195 1.00 0.00 C ATOM 352 CD1 PHE A 22 4.730 5.153 24.461 1.00 0.00 C ATOM 353 CD2 PHE A 22 2.738 3.773 24.707 1.00 0.00 C ATOM 354 CE1 PHE A 22 5.461 4.234 25.235 1.00 0.00 C ATOM 355 CE2 PHE A 22 3.468 2.856 25.484 1.00 0.00 C ATOM 356 CZ PHE A 22 4.831 3.086 25.747 1.00 0.00 C ATOM 0 H PHE A 22 1.303 7.578 22.145 1.00 0.00 H new ATOM 0 HA PHE A 22 0.873 6.232 24.601 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.013 5.323 22.600 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.293 6.508 22.774 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.215 6.035 24.070 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.693 3.594 24.503 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.507 4.410 25.436 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.983 1.976 25.879 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.393 2.381 26.342 1.00 0.00 H new ATOM 366 N GLN A 23 2.997 8.748 24.721 1.00 0.00 N ATOM 367 CA GLN A 23 3.681 9.732 25.578 1.00 0.00 C ATOM 368 C GLN A 23 2.746 10.413 26.604 1.00 0.00 C ATOM 369 O GLN A 23 3.222 11.028 27.560 1.00 0.00 O ATOM 370 CB GLN A 23 4.416 10.751 24.689 1.00 0.00 C ATOM 371 CG GLN A 23 5.657 10.108 24.051 1.00 0.00 C ATOM 372 CD GLN A 23 6.211 10.929 22.893 1.00 0.00 C ATOM 373 OE1 GLN A 23 7.063 11.794 23.044 1.00 0.00 O ATOM 374 NE2 GLN A 23 5.750 10.679 21.689 1.00 0.00 N ATOM 0 H GLN A 23 3.053 8.990 23.732 1.00 0.00 H new ATOM 0 HA GLN A 23 4.409 9.197 26.188 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.745 11.114 23.910 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.711 11.615 25.284 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.430 9.988 24.810 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.402 9.110 23.695 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.040 9.960 21.554 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.102 11.204 20.889 1.00 0.00 H new ATOM 383 N ARG A 24 1.422 10.313 26.409 1.00 0.00 N ATOM 384 CA ARG A 24 0.359 10.855 27.280 1.00 0.00 C ATOM 385 C ARG A 24 -0.533 9.757 27.891 1.00 0.00 C ATOM 386 O ARG A 24 -1.461 10.067 28.640 1.00 0.00 O ATOM 387 CB ARG A 24 -0.465 11.894 26.489 1.00 0.00 C ATOM 388 CG ARG A 24 0.360 13.070 25.933 1.00 0.00 C ATOM 389 CD ARG A 24 1.010 13.916 27.036 1.00 0.00 C ATOM 390 NE ARG A 24 1.867 14.972 26.468 1.00 0.00 N ATOM 391 CZ ARG A 24 3.186 14.941 26.344 1.00 0.00 C ATOM 392 NH1 ARG A 24 3.814 15.961 25.824 1.00 0.00 N ATOM 393 NH2 ARG A 24 3.920 13.926 26.722 1.00 0.00 N ATOM 0 H ARG A 24 1.040 9.827 25.598 1.00 0.00 H new ATOM 0 HA ARG A 24 0.833 11.345 28.130 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.962 11.391 25.660 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.247 12.289 27.137 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.137 12.683 25.273 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.285 13.706 25.327 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.235 14.368 27.655 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.604 13.274 27.687 1.00 0.00 H new ATOM 0 HE ARG A 24 1.396 15.814 26.136 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.289 16.779 25.514 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.829 15.940 25.727 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.480 13.104 27.136 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.933 13.956 26.603 1.00 0.00 H new ATOM 407 N GLY A 25 -0.263 8.483 27.584 1.00 0.00 N ATOM 408 CA GLY A 25 -1.012 7.313 28.064 1.00 0.00 C ATOM 409 C GLY A 25 -2.389 7.125 27.408 1.00 0.00 C ATOM 410 O GLY A 25 -3.216 6.372 27.927 1.00 0.00 O ATOM 0 H GLY A 25 0.512 8.228 26.972 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.415 6.418 27.889 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.146 7.401 29.142 1.00 0.00 H new ATOM 414 N THR A 26 -2.657 7.813 26.292 1.00 0.00 N ATOM 415 CA THR A 26 -3.947 7.783 25.574 1.00 0.00 C ATOM 416 C THR A 26 -4.044 6.638 24.552 1.00 0.00 C ATOM 417 O THR A 26 -5.146 6.150 24.289 1.00 0.00 O ATOM 418 CB THR A 26 -4.185 9.133 24.864 1.00 0.00 C ATOM 419 OG1 THR A 26 -3.859 10.222 25.707 1.00 0.00 O ATOM 420 CG2 THR A 26 -5.634 9.346 24.422 1.00 0.00 C ATOM 0 H THR A 26 -1.970 8.422 25.848 1.00 0.00 H new ATOM 0 HA THR A 26 -4.718 7.606 26.324 1.00 0.00 H new ATOM 0 HB THR A 26 -3.541 9.094 23.986 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.018 11.064 25.231 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.726 10.315 23.931 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.922 8.558 23.726 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.288 9.317 25.293 1.00 0.00 H new ATOM 428 N CYS A 27 -2.915 6.186 23.985 1.00 0.00 N ATOM 429 CA CYS A 27 -2.872 5.102 22.994 1.00 0.00 C ATOM 430 C CYS A 27 -3.271 3.738 23.610 1.00 0.00 C ATOM 431 O CYS A 27 -2.909 3.426 24.752 1.00 0.00 O ATOM 432 CB CYS A 27 -1.467 5.073 22.360 1.00 0.00 C ATOM 433 SG CYS A 27 -1.463 4.213 20.749 1.00 0.00 S ATOM 0 H CYS A 27 -1.995 6.568 24.205 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.609 5.293 22.214 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.108 6.093 22.227 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.773 4.576 23.038 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.658 4.825 19.932 1.00 0.00 H new ATOM 438 N SER A 28 -4.019 2.927 22.855 1.00 0.00 N ATOM 439 CA SER A 28 -4.508 1.595 23.256 1.00 0.00 C ATOM 440 C SER A 28 -4.432 0.580 22.099 1.00 0.00 C ATOM 441 O SER A 28 -5.431 -0.006 21.665 1.00 0.00 O ATOM 442 CB SER A 28 -5.917 1.712 23.868 1.00 0.00 C ATOM 443 OG SER A 28 -6.828 2.399 23.015 1.00 0.00 O ATOM 0 H SER A 28 -4.314 3.185 21.913 1.00 0.00 H new ATOM 0 HA SER A 28 -3.849 1.199 24.029 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.303 0.714 24.077 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.853 2.235 24.822 1.00 0.00 H new ATOM 0 HG SER A 28 -7.707 2.446 23.446 1.00 0.00 H new ATOM 449 N ARG A 29 -3.210 0.361 21.596 1.00 0.00 N ATOM 450 CA ARG A 29 -2.866 -0.544 20.482 1.00 0.00 C ATOM 451 C ARG A 29 -1.421 -1.063 20.651 1.00 0.00 C ATOM 452 O ARG A 29 -0.567 -0.294 21.103 1.00 0.00 O ATOM 453 CB ARG A 29 -3.031 0.269 19.179 1.00 0.00 C ATOM 454 CG ARG A 29 -2.774 -0.523 17.890 1.00 0.00 C ATOM 455 CD ARG A 29 -2.982 0.333 16.637 1.00 0.00 C ATOM 456 NE ARG A 29 -4.409 0.533 16.324 1.00 0.00 N ATOM 457 CZ ARG A 29 -4.925 0.700 15.117 1.00 0.00 C ATOM 458 NH1 ARG A 29 -6.211 0.872 14.972 1.00 0.00 N ATOM 459 NH2 ARG A 29 -4.200 0.704 14.026 1.00 0.00 N ATOM 0 H ARG A 29 -2.388 0.834 21.973 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.515 -1.419 20.460 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.043 0.673 19.145 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.349 1.119 19.209 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.755 -0.909 17.900 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.441 -1.384 17.855 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.505 1.303 16.779 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.490 -0.143 15.789 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.058 0.544 17.111 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.820 0.878 15.790 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.607 1.001 14.041 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.190 0.574 14.084 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.646 0.837 13.118 1.00 0.00 H new ATOM 473 N PRO A 30 -1.106 -2.332 20.317 1.00 0.00 N ATOM 474 CA PRO A 30 0.254 -2.857 20.450 1.00 0.00 C ATOM 475 C PRO A 30 1.220 -2.221 19.438 1.00 0.00 C ATOM 476 O PRO A 30 0.821 -1.801 18.348 1.00 0.00 O ATOM 477 CB PRO A 30 0.130 -4.369 20.235 1.00 0.00 C ATOM 478 CG PRO A 30 -1.082 -4.494 19.315 1.00 0.00 C ATOM 479 CD PRO A 30 -1.994 -3.368 19.802 1.00 0.00 C ATOM 0 HA PRO A 30 0.673 -2.621 21.428 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.027 -4.785 19.777 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.023 -4.898 21.176 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.809 -4.369 18.267 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.560 -5.469 19.406 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.611 -2.985 18.989 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.673 -3.722 20.578 1.00 0.00 H new ATOM 487 N ASP A 31 2.514 -2.204 19.778 1.00 0.00 N ATOM 488 CA ASP A 31 3.605 -1.687 18.928 1.00 0.00 C ATOM 489 C ASP A 31 3.584 -2.281 17.504 1.00 0.00 C ATOM 490 O ASP A 31 3.924 -1.609 16.533 1.00 0.00 O ATOM 491 CB ASP A 31 4.937 -2.011 19.624 1.00 0.00 C ATOM 492 CG ASP A 31 6.152 -1.436 18.890 1.00 0.00 C ATOM 493 OD1 ASP A 31 6.777 -2.191 18.111 1.00 0.00 O ATOM 494 OD2 ASP A 31 6.472 -0.248 19.131 1.00 0.00 O ATOM 0 H ASP A 31 2.845 -2.558 20.675 1.00 0.00 H new ATOM 0 HA ASP A 31 3.475 -0.611 18.808 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.914 -1.618 20.640 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.046 -3.093 19.703 1.00 0.00 H new ATOM 499 N THR A 32 3.163 -3.543 17.393 1.00 0.00 N ATOM 500 CA THR A 32 3.037 -4.334 16.163 1.00 0.00 C ATOM 501 C THR A 32 2.003 -3.803 15.163 1.00 0.00 C ATOM 502 O THR A 32 2.099 -4.101 13.973 1.00 0.00 O ATOM 503 CB THR A 32 2.631 -5.777 16.521 1.00 0.00 C ATOM 504 OG1 THR A 32 3.229 -6.196 17.734 1.00 0.00 O ATOM 505 CG2 THR A 32 3.038 -6.800 15.458 1.00 0.00 C ATOM 0 H THR A 32 2.882 -4.077 18.215 1.00 0.00 H new ATOM 0 HA THR A 32 4.014 -4.275 15.683 1.00 0.00 H new ATOM 0 HB THR A 32 1.544 -5.745 16.601 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.952 -7.114 17.935 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.723 -7.795 15.771 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.561 -6.550 14.511 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.121 -6.785 15.334 1.00 0.00 H new ATOM 513 N GLU A 33 1.012 -3.033 15.618 1.00 0.00 N ATOM 514 CA GLU A 33 -0.091 -2.524 14.786 1.00 0.00 C ATOM 515 C GLU A 33 -0.174 -0.987 14.736 1.00 0.00 C ATOM 516 O GLU A 33 -0.746 -0.437 13.792 1.00 0.00 O ATOM 517 CB GLU A 33 -1.394 -3.161 15.306 1.00 0.00 C ATOM 518 CG GLU A 33 -2.602 -2.970 14.379 1.00 0.00 C ATOM 519 CD GLU A 33 -3.829 -3.715 14.918 1.00 0.00 C ATOM 520 OE1 GLU A 33 -4.102 -4.838 14.428 1.00 0.00 O ATOM 521 OE2 GLU A 33 -4.498 -3.165 15.826 1.00 0.00 O ATOM 0 H GLU A 33 0.949 -2.738 16.592 1.00 0.00 H new ATOM 0 HA GLU A 33 0.088 -2.809 13.749 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.229 -4.228 15.454 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.629 -2.736 16.282 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.829 -1.908 14.285 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.360 -3.334 13.380 1.00 0.00 H new ATOM 528 N CYS A 34 0.400 -0.285 15.721 1.00 0.00 N ATOM 529 CA CYS A 34 0.402 1.183 15.751 1.00 0.00 C ATOM 530 C CYS A 34 1.324 1.786 14.661 1.00 0.00 C ATOM 531 O CYS A 34 2.271 1.151 14.178 1.00 0.00 O ATOM 532 CB CYS A 34 0.747 1.660 17.175 1.00 0.00 C ATOM 533 SG CYS A 34 0.136 3.358 17.491 1.00 0.00 S ATOM 0 H CYS A 34 0.874 -0.715 16.515 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.595 1.550 15.507 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.311 0.976 17.903 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.827 1.630 17.316 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.455 3.398 18.648 1.00 0.00 H new ATOM 538 N LYS A 35 1.041 3.035 14.270 1.00 0.00 N ATOM 539 CA LYS A 35 1.781 3.813 13.257 1.00 0.00 C ATOM 540 C LYS A 35 3.191 4.224 13.718 1.00 0.00 C ATOM 541 O LYS A 35 4.058 4.501 12.888 1.00 0.00 O ATOM 542 CB LYS A 35 0.926 5.048 12.905 1.00 0.00 C ATOM 543 CG LYS A 35 1.512 5.923 11.784 1.00 0.00 C ATOM 544 CD LYS A 35 0.545 7.054 11.405 1.00 0.00 C ATOM 545 CE LYS A 35 1.166 8.019 10.387 1.00 0.00 C ATOM 546 NZ LYS A 35 1.396 7.370 9.078 1.00 0.00 N ATOM 0 H LYS A 35 0.258 3.557 14.665 1.00 0.00 H new ATOM 0 HA LYS A 35 1.943 3.187 12.379 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.068 4.715 12.608 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.803 5.658 13.800 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.463 6.346 12.108 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.719 5.308 10.908 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.368 6.627 10.991 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.261 7.605 12.302 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.509 8.879 10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.112 8.397 10.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.801 8.061 8.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.056 6.575 9.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.493 7.017 8.702 1.00 0.00 H new ATOM 560 N PHE A 36 3.415 4.258 15.030 1.00 0.00 N ATOM 561 CA PHE A 36 4.648 4.699 15.691 1.00 0.00 C ATOM 562 C PHE A 36 5.125 3.709 16.773 1.00 0.00 C ATOM 563 O PHE A 36 4.528 2.649 16.976 1.00 0.00 O ATOM 564 CB PHE A 36 4.393 6.106 16.248 1.00 0.00 C ATOM 565 CG PHE A 36 4.145 7.179 15.203 1.00 0.00 C ATOM 566 CD1 PHE A 36 2.869 7.763 15.070 1.00 0.00 C ATOM 567 CD2 PHE A 36 5.196 7.607 14.370 1.00 0.00 C ATOM 568 CE1 PHE A 36 2.648 8.768 14.111 1.00 0.00 C ATOM 569 CE2 PHE A 36 4.975 8.611 13.410 1.00 0.00 C ATOM 570 CZ PHE A 36 3.701 9.192 13.281 1.00 0.00 C ATOM 0 H PHE A 36 2.704 3.963 15.700 1.00 0.00 H new ATOM 0 HA PHE A 36 5.466 4.729 14.971 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.532 6.065 16.915 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.251 6.401 16.852 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.059 7.438 15.706 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.176 7.163 14.468 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.669 9.214 14.012 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.784 8.936 12.772 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.531 9.964 12.545 1.00 0.00 H new ATOM 580 N ALA A 37 6.242 4.021 17.438 1.00 0.00 N ATOM 581 CA ALA A 37 6.888 3.139 18.410 1.00 0.00 C ATOM 582 C ALA A 37 6.389 3.324 19.861 1.00 0.00 C ATOM 583 O ALA A 37 6.094 4.439 20.296 1.00 0.00 O ATOM 584 CB ALA A 37 8.393 3.428 18.331 1.00 0.00 C ATOM 0 H ALA A 37 6.729 4.908 17.313 1.00 0.00 H new ATOM 0 HA ALA A 37 6.643 2.107 18.158 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.923 2.793 19.040 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.750 3.222 17.322 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.576 4.475 18.574 1.00 0.00 H new ATOM 590 N HIS A 38 6.336 2.220 20.616 1.00 0.00 N ATOM 591 CA HIS A 38 5.941 2.132 22.032 1.00 0.00 C ATOM 592 C HIS A 38 7.098 1.556 22.893 1.00 0.00 C ATOM 593 O HIS A 38 7.047 0.385 23.293 1.00 0.00 O ATOM 594 CB HIS A 38 4.635 1.324 22.174 1.00 0.00 C ATOM 595 CG HIS A 38 3.429 1.887 21.455 1.00 0.00 C ATOM 596 ND1 HIS A 38 2.333 1.176 21.018 1.00 0.00 N ATOM 597 CD2 HIS A 38 3.193 3.201 21.143 1.00 0.00 C ATOM 598 CE1 HIS A 38 1.472 2.038 20.447 1.00 0.00 C ATOM 599 NE2 HIS A 38 1.957 3.289 20.493 1.00 0.00 N ATOM 0 H HIS A 38 6.582 1.307 20.234 1.00 0.00 H new ATOM 0 HA HIS A 38 5.741 3.135 22.410 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.814 0.313 21.807 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.396 1.240 23.234 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.851 4.029 21.362 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.523 1.762 20.012 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.514 4.132 20.128 1.00 0.00 H new ATOM 607 N PRO A 39 8.172 2.329 23.157 1.00 0.00 N ATOM 608 CA PRO A 39 9.345 1.887 23.921 1.00 0.00 C ATOM 609 C PRO A 39 9.088 1.678 25.422 1.00 0.00 C ATOM 610 O PRO A 39 8.098 2.146 25.987 1.00 0.00 O ATOM 611 CB PRO A 39 10.402 2.967 23.704 1.00 0.00 C ATOM 612 CG PRO A 39 9.567 4.228 23.505 1.00 0.00 C ATOM 613 CD PRO A 39 8.354 3.711 22.735 1.00 0.00 C ATOM 0 HA PRO A 39 9.654 0.903 23.567 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.070 3.056 24.561 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.025 2.754 22.835 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.281 4.678 24.456 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.109 4.988 22.943 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.468 4.307 22.956 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.519 3.772 21.659 1.00 0.00 H new ATOM 621 N SER A 40 10.028 0.992 26.077 1.00 0.00 N ATOM 622 CA SER A 40 10.035 0.708 27.517 1.00 0.00 C ATOM 623 C SER A 40 10.968 1.662 28.275 1.00 0.00 C ATOM 624 O SER A 40 11.756 2.403 27.677 1.00 0.00 O ATOM 625 CB SER A 40 10.493 -0.739 27.745 1.00 0.00 C ATOM 626 OG SER A 40 11.888 -0.865 27.503 1.00 0.00 O ATOM 0 H SER A 40 10.840 0.602 25.599 1.00 0.00 H new ATOM 0 HA SER A 40 9.023 0.851 27.897 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.267 -1.041 28.768 1.00 0.00 H new ATOM 0 HB3 SER A 40 9.942 -1.409 27.085 1.00 0.00 H new ATOM 0 HG SER A 40 12.098 -0.520 26.610 1.00 0.00 H new ATOM 632 N LYS A 41 10.924 1.610 29.613 1.00 0.00 N ATOM 633 CA LYS A 41 11.800 2.399 30.505 1.00 0.00 C ATOM 634 C LYS A 41 13.306 2.141 30.309 1.00 0.00 C ATOM 635 O LYS A 41 14.125 2.978 30.687 1.00 0.00 O ATOM 636 CB LYS A 41 11.373 2.223 31.978 1.00 0.00 C ATOM 637 CG LYS A 41 11.857 0.950 32.705 1.00 0.00 C ATOM 638 CD LYS A 41 11.322 -0.372 32.134 1.00 0.00 C ATOM 639 CE LYS A 41 11.833 -1.544 32.978 1.00 0.00 C ATOM 640 NZ LYS A 41 11.338 -2.833 32.456 1.00 0.00 N ATOM 0 H LYS A 41 10.271 1.011 30.119 1.00 0.00 H new ATOM 0 HA LYS A 41 11.661 3.442 30.219 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.728 3.088 32.538 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.284 2.242 32.019 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.946 0.926 32.675 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.568 1.018 33.754 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.232 -0.363 32.130 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.644 -0.489 31.099 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.923 -1.545 32.982 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.510 -1.419 34.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.700 -3.609 33.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.298 -2.839 32.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.667 -2.961 31.478 1.00 0.00 H new ATOM 654 N SER A 42 13.661 0.995 29.724 1.00 0.00 N ATOM 655 CA SER A 42 15.043 0.568 29.455 1.00 0.00 C ATOM 656 C SER A 42 15.556 0.982 28.066 1.00 0.00 C ATOM 657 O SER A 42 16.767 0.968 27.832 1.00 0.00 O ATOM 658 CB SER A 42 15.149 -0.957 29.584 1.00 0.00 C ATOM 659 OG SER A 42 14.694 -1.389 30.860 1.00 0.00 O ATOM 0 H SER A 42 12.971 0.311 29.412 1.00 0.00 H new ATOM 0 HA SER A 42 15.666 1.072 30.194 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.559 -1.434 28.802 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.183 -1.268 29.437 1.00 0.00 H new ATOM 0 HG SER A 42 14.768 -2.364 30.921 1.00 0.00 H new ATOM 665 N CYS A 43 14.666 1.361 27.140 1.00 0.00 N ATOM 666 CA CYS A 43 15.041 1.790 25.791 1.00 0.00 C ATOM 667 C CYS A 43 15.778 3.144 25.798 1.00 0.00 C ATOM 668 O CYS A 43 15.554 3.987 26.670 1.00 0.00 O ATOM 669 CB CYS A 43 13.775 1.877 24.927 1.00 0.00 C ATOM 670 SG CYS A 43 13.084 0.224 24.624 1.00 0.00 S ATOM 0 H CYS A 43 13.660 1.378 27.309 1.00 0.00 H new ATOM 0 HA CYS A 43 15.731 1.055 25.376 1.00 0.00 H new ATOM 0 HB2 CYS A 43 13.032 2.501 25.424 1.00 0.00 H new ATOM 0 HB3 CYS A 43 14.010 2.357 23.977 1.00 0.00 H new ATOM 0 HG CYS A 43 12.014 0.328 23.893 1.00 0.00 H new ATOM 676 N GLN A 44 16.632 3.384 24.796 1.00 0.00 N ATOM 677 CA GLN A 44 17.384 4.641 24.614 1.00 0.00 C ATOM 678 C GLN A 44 16.511 5.770 24.015 1.00 0.00 C ATOM 679 O GLN A 44 16.849 6.374 22.994 1.00 0.00 O ATOM 680 CB GLN A 44 18.665 4.374 23.796 1.00 0.00 C ATOM 681 CG GLN A 44 19.636 3.391 24.473 1.00 0.00 C ATOM 682 CD GLN A 44 20.119 3.866 25.842 1.00 0.00 C ATOM 683 OE1 GLN A 44 21.076 4.617 25.967 1.00 0.00 O ATOM 684 NE2 GLN A 44 19.498 3.439 26.923 1.00 0.00 N ATOM 0 H GLN A 44 16.827 2.696 24.069 1.00 0.00 H new ATOM 0 HA GLN A 44 17.685 5.006 25.596 1.00 0.00 H new ATOM 0 HB2 GLN A 44 18.386 3.981 22.818 1.00 0.00 H new ATOM 0 HB3 GLN A 44 19.180 5.319 23.624 1.00 0.00 H new ATOM 0 HG2 GLN A 44 19.145 2.424 24.584 1.00 0.00 H new ATOM 0 HG3 GLN A 44 20.498 3.238 23.824 1.00 0.00 H new ATOM 0 HE21 GLN A 44 18.698 2.812 26.837 1.00 0.00 H new ATOM 0 HE22 GLN A 44 19.817 3.735 27.845 1.00 0.00 H new ATOM 693 N VAL A 45 15.356 6.032 24.636 1.00 0.00 N ATOM 694 CA VAL A 45 14.384 7.060 24.224 1.00 0.00 C ATOM 695 C VAL A 45 14.933 8.467 24.498 1.00 0.00 C ATOM 696 O VAL A 45 15.400 8.753 25.603 1.00 0.00 O ATOM 697 CB VAL A 45 13.029 6.888 24.951 1.00 0.00 C ATOM 698 CG1 VAL A 45 11.937 7.719 24.258 1.00 0.00 C ATOM 699 CG2 VAL A 45 12.555 5.428 25.002 1.00 0.00 C ATOM 0 H VAL A 45 15.059 5.520 25.467 1.00 0.00 H new ATOM 0 HA VAL A 45 14.221 6.936 23.154 1.00 0.00 H new ATOM 0 HB VAL A 45 13.194 7.232 25.972 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.991 7.586 24.783 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.216 8.773 24.274 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.829 7.388 23.225 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.600 5.374 25.524 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.436 5.048 23.987 1.00 0.00 H new ATOM 0 HG23 VAL A 45 13.293 4.824 25.531 1.00 0.00 H new ATOM 709 N GLU A 46 14.863 9.363 23.513 1.00 0.00 N ATOM 710 CA GLU A 46 15.314 10.760 23.614 1.00 0.00 C ATOM 711 C GLU A 46 14.547 11.657 22.625 1.00 0.00 C ATOM 712 O GLU A 46 14.372 11.294 21.463 1.00 0.00 O ATOM 713 CB GLU A 46 16.834 10.817 23.343 1.00 0.00 C ATOM 714 CG GLU A 46 17.466 12.212 23.482 1.00 0.00 C ATOM 715 CD GLU A 46 17.337 12.777 24.904 1.00 0.00 C ATOM 716 OE1 GLU A 46 18.295 12.619 25.696 1.00 0.00 O ATOM 717 OE2 GLU A 46 16.268 13.366 25.200 1.00 0.00 O ATOM 0 H GLU A 46 14.481 9.135 22.595 1.00 0.00 H new ATOM 0 HA GLU A 46 15.111 11.134 24.618 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.336 10.137 24.031 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.022 10.448 22.335 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.520 12.158 23.210 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.990 12.895 22.779 1.00 0.00 H new ATOM 724 N ASN A 47 14.104 12.839 23.072 1.00 0.00 N ATOM 725 CA ASN A 47 13.370 13.848 22.283 1.00 0.00 C ATOM 726 C ASN A 47 12.226 13.268 21.398 1.00 0.00 C ATOM 727 O ASN A 47 12.018 13.695 20.259 1.00 0.00 O ATOM 728 CB ASN A 47 14.409 14.708 21.526 1.00 0.00 C ATOM 729 CG ASN A 47 13.940 16.130 21.241 1.00 0.00 C ATOM 730 OD1 ASN A 47 14.413 17.095 21.827 1.00 0.00 O ATOM 731 ND2 ASN A 47 12.991 16.316 20.353 1.00 0.00 N ATOM 0 H ASN A 47 14.252 13.136 24.037 1.00 0.00 H new ATOM 0 HA ASN A 47 12.808 14.493 22.958 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.328 14.749 22.111 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.653 14.220 20.582 1.00 0.00 H new ATOM 0 HD21 ASN A 47 12.654 17.258 20.156 1.00 0.00 H new ATOM 0 HD22 ASN A 47 12.591 15.518 19.860 1.00 0.00 H new ATOM 738 N GLY A 48 11.493 12.268 21.904 1.00 0.00 N ATOM 739 CA GLY A 48 10.387 11.609 21.189 1.00 0.00 C ATOM 740 C GLY A 48 10.811 10.582 20.127 1.00 0.00 C ATOM 741 O GLY A 48 9.975 10.155 19.329 1.00 0.00 O ATOM 0 H GLY A 48 11.653 11.886 22.836 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.750 11.110 21.919 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.780 12.375 20.707 1.00 0.00 H new ATOM 745 N ARG A 49 12.086 10.177 20.103 1.00 0.00 N ATOM 746 CA ARG A 49 12.693 9.207 19.171 1.00 0.00 C ATOM 747 C ARG A 49 13.407 8.084 19.932 1.00 0.00 C ATOM 748 O ARG A 49 13.745 8.243 21.105 1.00 0.00 O ATOM 749 CB ARG A 49 13.714 9.931 18.262 1.00 0.00 C ATOM 750 CG ARG A 49 13.179 11.108 17.426 1.00 0.00 C ATOM 751 CD ARG A 49 12.049 10.673 16.489 1.00 0.00 C ATOM 752 NE ARG A 49 11.617 11.739 15.570 1.00 0.00 N ATOM 753 CZ ARG A 49 12.185 12.089 14.427 1.00 0.00 C ATOM 754 NH1 ARG A 49 11.615 12.987 13.674 1.00 0.00 N ATOM 755 NH2 ARG A 49 13.306 11.570 13.999 1.00 0.00 N ATOM 0 H ARG A 49 12.766 10.537 20.772 1.00 0.00 H new ATOM 0 HA ARG A 49 11.897 8.769 18.569 1.00 0.00 H new ATOM 0 HB2 ARG A 49 14.527 10.299 18.888 1.00 0.00 H new ATOM 0 HB3 ARG A 49 14.144 9.197 17.581 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.818 11.892 18.092 1.00 0.00 H new ATOM 0 HG3 ARG A 49 13.992 11.537 16.840 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.379 9.812 15.908 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.196 10.348 17.085 1.00 0.00 H new ATOM 0 HE ARG A 49 10.788 12.266 15.845 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.737 13.415 13.967 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.047 13.262 12.792 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.784 10.860 14.554 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.702 11.875 13.110 1.00 0.00 H new ATOM 769 N VAL A 50 13.680 6.967 19.259 1.00 0.00 N ATOM 770 CA VAL A 50 14.455 5.837 19.809 1.00 0.00 C ATOM 771 C VAL A 50 15.339 5.286 18.700 1.00 0.00 C ATOM 772 O VAL A 50 14.882 5.142 17.565 1.00 0.00 O ATOM 773 CB VAL A 50 13.597 4.644 20.284 1.00 0.00 C ATOM 774 CG1 VAL A 50 14.395 3.771 21.266 1.00 0.00 C ATOM 775 CG2 VAL A 50 12.273 4.999 20.937 1.00 0.00 C ATOM 0 H VAL A 50 13.368 6.812 18.301 1.00 0.00 H new ATOM 0 HA VAL A 50 14.995 6.236 20.667 1.00 0.00 H new ATOM 0 HB VAL A 50 13.352 4.114 19.364 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.778 2.934 21.593 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.289 3.392 20.772 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.684 4.368 22.131 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.756 4.086 21.230 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.455 5.612 21.819 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.656 5.554 20.230 1.00 0.00 H new ATOM 785 N ILE A 51 16.576 4.924 19.027 1.00 0.00 N ATOM 786 CA ILE A 51 17.480 4.243 18.096 1.00 0.00 C ATOM 787 C ILE A 51 16.997 2.784 17.972 1.00 0.00 C ATOM 788 O ILE A 51 16.757 2.125 18.987 1.00 0.00 O ATOM 789 CB ILE A 51 18.934 4.354 18.611 1.00 0.00 C ATOM 790 CG1 ILE A 51 19.381 5.836 18.613 1.00 0.00 C ATOM 791 CG2 ILE A 51 19.876 3.507 17.745 1.00 0.00 C ATOM 792 CD1 ILE A 51 20.791 6.088 19.159 1.00 0.00 C ATOM 0 H ILE A 51 16.984 5.094 19.946 1.00 0.00 H new ATOM 0 HA ILE A 51 17.469 4.700 17.106 1.00 0.00 H new ATOM 0 HB ILE A 51 18.977 3.974 19.632 1.00 0.00 H new ATOM 0 HG12 ILE A 51 19.330 6.216 17.593 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.670 6.413 19.205 1.00 0.00 H new ATOM 0 HG21 ILE A 51 20.895 3.597 18.121 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.565 2.463 17.784 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.838 3.859 16.714 1.00 0.00 H new ATOM 0 HD11 ILE A 51 21.011 7.155 19.119 1.00 0.00 H new ATOM 0 HD12 ILE A 51 20.848 5.744 20.192 1.00 0.00 H new ATOM 0 HD13 ILE A 51 21.518 5.544 18.555 1.00 0.00 H new ATOM 804 N ALA A 52 16.831 2.279 16.747 1.00 0.00 N ATOM 805 CA ALA A 52 16.395 0.907 16.479 1.00 0.00 C ATOM 806 C ALA A 52 17.595 -0.054 16.329 1.00 0.00 C ATOM 807 O ALA A 52 18.668 0.351 15.878 1.00 0.00 O ATOM 808 CB ALA A 52 15.518 0.913 15.223 1.00 0.00 C ATOM 0 H ALA A 52 16.999 2.821 15.900 1.00 0.00 H new ATOM 0 HA ALA A 52 15.816 0.539 17.326 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.184 -0.102 15.008 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.651 1.553 15.387 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.094 1.292 14.379 1.00 0.00 H new ATOM 814 N CYS A 53 17.416 -1.323 16.707 1.00 0.00 N ATOM 815 CA CYS A 53 18.453 -2.362 16.663 1.00 0.00 C ATOM 816 C CYS A 53 18.859 -2.725 15.213 1.00 0.00 C ATOM 817 O CYS A 53 18.083 -3.343 14.477 1.00 0.00 O ATOM 818 CB CYS A 53 17.916 -3.565 17.463 1.00 0.00 C ATOM 819 SG CYS A 53 19.135 -4.908 17.671 1.00 0.00 S ATOM 0 H CYS A 53 16.523 -1.667 17.061 1.00 0.00 H new ATOM 0 HA CYS A 53 19.378 -2.003 17.115 1.00 0.00 H new ATOM 0 HB2 CYS A 53 17.594 -3.222 18.446 1.00 0.00 H new ATOM 0 HB3 CYS A 53 17.034 -3.961 16.959 1.00 0.00 H new ATOM 0 HG CYS A 53 19.193 -5.251 18.924 1.00 0.00 H new ATOM 824 N PHE A 54 20.070 -2.338 14.785 1.00 0.00 N ATOM 825 CA PHE A 54 20.625 -2.624 13.449 1.00 0.00 C ATOM 826 C PHE A 54 20.670 -4.134 13.178 1.00 0.00 C ATOM 827 O PHE A 54 20.312 -4.585 12.089 1.00 0.00 O ATOM 828 CB PHE A 54 22.038 -2.023 13.342 1.00 0.00 C ATOM 829 CG PHE A 54 22.835 -2.323 12.083 1.00 0.00 C ATOM 830 CD1 PHE A 54 23.527 -3.544 11.959 1.00 0.00 C ATOM 831 CD2 PHE A 54 22.985 -1.343 11.085 1.00 0.00 C ATOM 832 CE1 PHE A 54 24.352 -3.788 10.848 1.00 0.00 C ATOM 833 CE2 PHE A 54 23.808 -1.589 9.971 1.00 0.00 C ATOM 834 CZ PHE A 54 24.496 -2.807 9.853 1.00 0.00 C ATOM 0 H PHE A 54 20.709 -1.803 15.373 1.00 0.00 H new ATOM 0 HA PHE A 54 19.977 -2.170 12.700 1.00 0.00 H new ATOM 0 HB2 PHE A 54 21.951 -0.940 13.435 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.617 -2.371 14.197 1.00 0.00 H new ATOM 0 HD1 PHE A 54 23.422 -4.299 12.724 1.00 0.00 H new ATOM 0 HD2 PHE A 54 22.467 -0.400 11.174 1.00 0.00 H new ATOM 0 HE1 PHE A 54 24.875 -4.729 10.759 1.00 0.00 H new ATOM 0 HE2 PHE A 54 23.911 -0.837 9.203 1.00 0.00 H new ATOM 0 HZ PHE A 54 25.134 -2.989 9.000 1.00 0.00 H new ATOM 844 N ASP A 55 21.085 -4.924 14.174 1.00 0.00 N ATOM 845 CA ASP A 55 21.140 -6.382 14.056 1.00 0.00 C ATOM 846 C ASP A 55 19.733 -6.980 13.814 1.00 0.00 C ATOM 847 O ASP A 55 19.551 -7.787 12.896 1.00 0.00 O ATOM 848 CB ASP A 55 21.848 -6.970 15.288 1.00 0.00 C ATOM 849 CG ASP A 55 23.333 -6.585 15.370 1.00 0.00 C ATOM 850 OD1 ASP A 55 23.777 -6.169 16.468 1.00 0.00 O ATOM 851 OD2 ASP A 55 24.031 -6.734 14.338 1.00 0.00 O ATOM 0 H ASP A 55 21.391 -4.571 15.081 1.00 0.00 H new ATOM 0 HA ASP A 55 21.727 -6.657 13.180 1.00 0.00 H new ATOM 0 HB2 ASP A 55 21.340 -6.628 16.190 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.761 -8.056 15.266 1.00 0.00 H new ATOM 856 N SER A 56 18.711 -6.541 14.563 1.00 0.00 N ATOM 857 CA SER A 56 17.316 -6.966 14.358 1.00 0.00 C ATOM 858 C SER A 56 16.749 -6.479 13.015 1.00 0.00 C ATOM 859 O SER A 56 16.072 -7.236 12.314 1.00 0.00 O ATOM 860 CB SER A 56 16.440 -6.457 15.506 1.00 0.00 C ATOM 861 OG SER A 56 15.120 -6.969 15.394 1.00 0.00 O ATOM 0 H SER A 56 18.828 -5.879 15.330 1.00 0.00 H new ATOM 0 HA SER A 56 17.309 -8.056 14.340 1.00 0.00 H new ATOM 0 HB2 SER A 56 16.872 -6.757 16.461 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.415 -5.367 15.496 1.00 0.00 H new ATOM 0 HG SER A 56 14.575 -6.634 16.137 1.00 0.00 H new ATOM 867 N LEU A 57 17.062 -5.242 12.603 1.00 0.00 N ATOM 868 CA LEU A 57 16.648 -4.654 11.319 1.00 0.00 C ATOM 869 C LEU A 57 17.128 -5.479 10.112 1.00 0.00 C ATOM 870 O LEU A 57 16.434 -5.535 9.094 1.00 0.00 O ATOM 871 CB LEU A 57 17.171 -3.208 11.224 1.00 0.00 C ATOM 872 CG LEU A 57 16.310 -2.187 11.987 1.00 0.00 C ATOM 873 CD1 LEU A 57 17.117 -0.915 12.233 1.00 0.00 C ATOM 874 CD2 LEU A 57 15.068 -1.822 11.172 1.00 0.00 C ATOM 0 H LEU A 57 17.625 -4.606 13.168 1.00 0.00 H new ATOM 0 HA LEU A 57 15.558 -4.657 11.288 1.00 0.00 H new ATOM 0 HB2 LEU A 57 18.189 -3.173 11.612 1.00 0.00 H new ATOM 0 HB3 LEU A 57 17.219 -2.917 10.175 1.00 0.00 H new ATOM 0 HG LEU A 57 16.008 -2.633 12.935 1.00 0.00 H new ATOM 0 HD11 LEU A 57 16.504 -0.194 12.774 1.00 0.00 H new ATOM 0 HD12 LEU A 57 18.002 -1.154 12.823 1.00 0.00 H new ATOM 0 HD13 LEU A 57 17.422 -0.488 11.278 1.00 0.00 H new ATOM 0 HD21 LEU A 57 14.469 -1.099 11.726 1.00 0.00 H new ATOM 0 HD22 LEU A 57 15.372 -1.388 10.220 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.476 -2.719 10.989 1.00 0.00 H new ATOM 886 N LYS A 58 18.282 -6.150 10.235 1.00 0.00 N ATOM 887 CA LYS A 58 18.858 -7.040 9.210 1.00 0.00 C ATOM 888 C LYS A 58 18.439 -8.516 9.379 1.00 0.00 C ATOM 889 O LYS A 58 18.934 -9.389 8.663 1.00 0.00 O ATOM 890 CB LYS A 58 20.380 -6.806 9.116 1.00 0.00 C ATOM 891 CG LYS A 58 20.657 -5.411 8.523 1.00 0.00 C ATOM 892 CD LYS A 58 22.097 -5.249 8.022 1.00 0.00 C ATOM 893 CE LYS A 58 22.244 -3.876 7.355 1.00 0.00 C ATOM 894 NZ LYS A 58 23.520 -3.761 6.621 1.00 0.00 N ATOM 0 H LYS A 58 18.859 -6.088 11.074 1.00 0.00 H new ATOM 0 HA LYS A 58 18.435 -6.778 8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 58 20.832 -6.887 10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 58 20.838 -7.574 8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 58 19.968 -5.230 7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 58 20.454 -4.653 9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 58 22.797 -5.340 8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 58 22.340 -6.040 7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 58 21.413 -3.714 6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 58 22.188 -3.095 8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.400 -3.115 5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 24.254 -3.388 7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 23.807 -4.699 6.274 1.00 0.00 H new ATOM 908 N GLY A 59 17.486 -8.792 10.275 1.00 0.00 N ATOM 909 CA GLY A 59 16.852 -10.100 10.489 1.00 0.00 C ATOM 910 C GLY A 59 17.493 -11.046 11.506 1.00 0.00 C ATOM 911 O GLY A 59 17.006 -12.172 11.651 1.00 0.00 O ATOM 0 H GLY A 59 17.117 -8.076 10.901 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.821 -9.926 10.797 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.815 -10.615 9.529 1.00 0.00 H new ATOM 915 N ARG A 60 18.544 -10.629 12.225 1.00 0.00 N ATOM 916 CA ARG A 60 19.197 -11.453 13.256 1.00 0.00 C ATOM 917 C ARG A 60 19.845 -10.591 14.338 1.00 0.00 C ATOM 918 O ARG A 60 21.003 -10.191 14.224 1.00 0.00 O ATOM 919 CB ARG A 60 20.200 -12.435 12.620 1.00 0.00 C ATOM 920 CG ARG A 60 20.857 -13.374 13.648 1.00 0.00 C ATOM 921 CD ARG A 60 19.873 -14.275 14.411 1.00 0.00 C ATOM 922 NE ARG A 60 19.445 -13.650 15.677 1.00 0.00 N ATOM 923 CZ ARG A 60 18.357 -13.915 16.375 1.00 0.00 C ATOM 924 NH1 ARG A 60 18.153 -13.274 17.490 1.00 0.00 N ATOM 925 NH2 ARG A 60 17.461 -14.792 16.002 1.00 0.00 N ATOM 0 H ARG A 60 18.968 -9.708 12.109 1.00 0.00 H new ATOM 0 HA ARG A 60 18.427 -12.046 13.749 1.00 0.00 H new ATOM 0 HB2 ARG A 60 19.687 -13.032 11.866 1.00 0.00 H new ATOM 0 HB3 ARG A 60 20.976 -11.870 12.104 1.00 0.00 H new ATOM 0 HG2 ARG A 60 21.582 -14.004 13.133 1.00 0.00 H new ATOM 0 HG3 ARG A 60 21.412 -12.772 14.368 1.00 0.00 H new ATOM 0 HD2 ARG A 60 19.001 -14.474 13.788 1.00 0.00 H new ATOM 0 HD3 ARG A 60 20.343 -15.237 14.618 1.00 0.00 H new ATOM 0 HE ARG A 60 20.061 -12.931 16.056 1.00 0.00 H new ATOM 0 HH11 ARG A 60 18.829 -12.580 17.810 1.00 0.00 H new ATOM 0 HH12 ARG A 60 17.318 -13.466 18.043 1.00 0.00 H new ATOM 0 HH21 ARG A 60 17.586 -15.310 15.132 1.00 0.00 H new ATOM 0 HH22 ARG A 60 16.638 -14.958 16.581 1.00 0.00 H new ATOM 939 N CYS A 61 19.077 -10.349 15.398 1.00 0.00 N ATOM 940 CA CYS A 61 19.505 -9.607 16.587 1.00 0.00 C ATOM 941 C CYS A 61 20.699 -10.325 17.252 1.00 0.00 C ATOM 942 O CYS A 61 20.653 -11.543 17.477 1.00 0.00 O ATOM 943 CB CYS A 61 18.311 -9.455 17.543 1.00 0.00 C ATOM 944 SG CYS A 61 18.740 -8.376 18.953 1.00 0.00 S ATOM 0 H CYS A 61 18.111 -10.672 15.457 1.00 0.00 H new ATOM 0 HA CYS A 61 19.843 -8.608 16.311 1.00 0.00 H new ATOM 0 HB2 CYS A 61 17.460 -9.037 17.005 1.00 0.00 H new ATOM 0 HB3 CYS A 61 18.006 -10.435 17.909 1.00 0.00 H new ATOM 0 HG CYS A 61 18.887 -7.154 18.535 1.00 0.00 H new ATOM 949 N SER A 62 21.778 -9.589 17.530 1.00 0.00 N ATOM 950 CA SER A 62 23.021 -10.125 18.109 1.00 0.00 C ATOM 951 C SER A 62 23.850 -9.093 18.898 1.00 0.00 C ATOM 952 O SER A 62 25.040 -9.309 19.154 1.00 0.00 O ATOM 953 CB SER A 62 23.868 -10.739 16.981 1.00 0.00 C ATOM 954 OG SER A 62 24.230 -9.760 16.016 1.00 0.00 O ATOM 0 H SER A 62 21.817 -8.585 17.357 1.00 0.00 H new ATOM 0 HA SER A 62 22.731 -10.880 18.840 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.768 -11.188 17.402 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.308 -11.540 16.498 1.00 0.00 H new ATOM 0 HG SER A 62 24.769 -10.178 15.312 1.00 0.00 H new ATOM 1013 N CYS A 66 21.663 -5.346 24.209 1.00 0.00 N ATOM 1014 CA CYS A 66 20.547 -4.839 23.410 1.00 0.00 C ATOM 1015 C CYS A 66 19.595 -3.988 24.281 1.00 0.00 C ATOM 1016 O CYS A 66 18.950 -4.474 25.220 1.00 0.00 O ATOM 1017 CB CYS A 66 19.857 -6.041 22.735 1.00 0.00 C ATOM 1018 SG CYS A 66 18.834 -5.510 21.320 1.00 0.00 S ATOM 0 HA CYS A 66 20.898 -4.167 22.626 1.00 0.00 H new ATOM 0 HB2 CYS A 66 20.610 -6.752 22.395 1.00 0.00 H new ATOM 0 HB3 CYS A 66 19.233 -6.561 23.462 1.00 0.00 H new ATOM 0 HG CYS A 66 18.763 -6.473 20.450 1.00 0.00 H new ATOM 1023 N LYS A 67 19.574 -2.684 23.976 1.00 0.00 N ATOM 1024 CA LYS A 67 18.822 -1.606 24.657 1.00 0.00 C ATOM 1025 C LYS A 67 18.092 -0.667 23.677 1.00 0.00 C ATOM 1026 O LYS A 67 17.657 0.427 24.039 1.00 0.00 O ATOM 1027 CB LYS A 67 19.787 -0.847 25.592 1.00 0.00 C ATOM 1028 CG LYS A 67 20.949 -0.160 24.847 1.00 0.00 C ATOM 1029 CD LYS A 67 21.818 0.651 25.816 1.00 0.00 C ATOM 1030 CE LYS A 67 22.858 1.461 25.039 1.00 0.00 C ATOM 1031 NZ LYS A 67 23.517 2.455 25.912 1.00 0.00 N ATOM 0 H LYS A 67 20.118 -2.322 23.193 1.00 0.00 H new ATOM 0 HA LYS A 67 18.025 -2.056 25.249 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.226 -0.095 26.147 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.196 -1.544 26.323 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.560 -0.911 24.346 1.00 0.00 H new ATOM 0 HG3 LYS A 67 20.552 0.496 24.072 1.00 0.00 H new ATOM 0 HD2 LYS A 67 21.191 1.320 26.406 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.317 -0.019 26.517 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.606 0.790 24.618 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.378 1.968 24.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 24.395 2.785 25.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 22.879 3.263 26.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 23.741 2.018 26.828 1.00 0.00 H new ATOM 1045 N TYR A 68 17.976 -1.097 22.426 1.00 0.00 N ATOM 1046 CA TYR A 68 17.364 -0.387 21.303 1.00 0.00 C ATOM 1047 C TYR A 68 15.938 -0.891 21.012 1.00 0.00 C ATOM 1048 O TYR A 68 15.493 -1.907 21.556 1.00 0.00 O ATOM 1049 CB TYR A 68 18.295 -0.554 20.088 1.00 0.00 C ATOM 1050 CG TYR A 68 19.687 0.042 20.250 1.00 0.00 C ATOM 1051 CD1 TYR A 68 19.851 1.359 20.729 1.00 0.00 C ATOM 1052 CD2 TYR A 68 20.823 -0.720 19.904 1.00 0.00 C ATOM 1053 CE1 TYR A 68 21.140 1.906 20.879 1.00 0.00 C ATOM 1054 CE2 TYR A 68 22.113 -0.174 20.047 1.00 0.00 C ATOM 1055 CZ TYR A 68 22.275 1.139 20.537 1.00 0.00 C ATOM 1056 OH TYR A 68 23.521 1.660 20.685 1.00 0.00 O ATOM 0 H TYR A 68 18.330 -2.012 22.148 1.00 0.00 H new ATOM 0 HA TYR A 68 17.253 0.670 21.544 1.00 0.00 H new ATOM 0 HB2 TYR A 68 18.396 -1.617 19.871 1.00 0.00 H new ATOM 0 HB3 TYR A 68 17.820 -0.096 19.221 1.00 0.00 H new ATOM 0 HD1 TYR A 68 18.984 1.951 20.982 1.00 0.00 H new ATOM 0 HD2 TYR A 68 20.703 -1.725 19.528 1.00 0.00 H new ATOM 0 HE1 TYR A 68 21.260 2.911 21.255 1.00 0.00 H new ATOM 0 HE2 TYR A 68 22.980 -0.761 19.781 1.00 0.00 H new ATOM 0 HH TYR A 68 24.188 0.999 20.404 1.00 0.00 H new ATOM 1066 N LEU A 69 15.206 -0.187 20.144 1.00 0.00 N ATOM 1067 CA LEU A 69 13.824 -0.516 19.789 1.00 0.00 C ATOM 1068 C LEU A 69 13.784 -1.573 18.671 1.00 0.00 C ATOM 1069 O LEU A 69 14.494 -1.466 17.669 1.00 0.00 O ATOM 1070 CB LEU A 69 13.178 0.787 19.269 1.00 0.00 C ATOM 1071 CG LEU A 69 11.799 0.642 18.596 1.00 0.00 C ATOM 1072 CD1 LEU A 69 10.697 0.349 19.614 1.00 0.00 C ATOM 1073 CD2 LEU A 69 11.467 1.927 17.847 1.00 0.00 C ATOM 0 H LEU A 69 15.562 0.638 19.662 1.00 0.00 H new ATOM 0 HA LEU A 69 13.297 -0.918 20.654 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.080 1.478 20.106 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.861 1.247 18.555 1.00 0.00 H new ATOM 0 HG LEU A 69 11.849 -0.200 17.906 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.741 0.254 19.098 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.922 -0.581 20.136 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.641 1.165 20.335 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.492 1.828 17.370 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.445 2.761 18.548 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.226 2.112 17.087 1.00 0.00 H new ATOM 1085 N HIS A 70 12.916 -2.577 18.837 1.00 0.00 N ATOM 1086 CA HIS A 70 12.634 -3.590 17.815 1.00 0.00 C ATOM 1087 C HIS A 70 11.256 -3.253 17.200 1.00 0.00 C ATOM 1088 O HIS A 70 10.229 -3.505 17.840 1.00 0.00 O ATOM 1089 CB HIS A 70 12.591 -4.991 18.457 1.00 0.00 C ATOM 1090 CG HIS A 70 13.925 -5.638 18.738 1.00 0.00 C ATOM 1091 ND1 HIS A 70 14.142 -6.996 18.833 1.00 0.00 N ATOM 1092 CD2 HIS A 70 15.141 -5.028 18.902 1.00 0.00 C ATOM 1093 CE1 HIS A 70 15.455 -7.199 19.031 1.00 0.00 C ATOM 1094 NE2 HIS A 70 16.109 -6.025 19.077 1.00 0.00 N ATOM 0 H HIS A 70 12.383 -2.710 19.696 1.00 0.00 H new ATOM 0 HA HIS A 70 13.411 -3.590 17.050 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.040 -4.921 19.395 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.022 -5.650 17.802 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.322 -3.963 18.897 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.920 -8.168 19.138 1.00 0.00 H new ATOM 0 HE2 HIS A 70 17.111 -5.888 19.212 1.00 0.00 H new ATOM 1102 N PRO A 71 11.198 -2.696 15.975 1.00 0.00 N ATOM 1103 CA PRO A 71 9.943 -2.324 15.324 1.00 0.00 C ATOM 1104 C PRO A 71 9.339 -3.473 14.480 1.00 0.00 C ATOM 1105 O PRO A 71 10.057 -4.402 14.098 1.00 0.00 O ATOM 1106 CB PRO A 71 10.351 -1.149 14.433 1.00 0.00 C ATOM 1107 CG PRO A 71 11.752 -1.530 13.964 1.00 0.00 C ATOM 1108 CD PRO A 71 12.334 -2.293 15.152 1.00 0.00 C ATOM 0 HA PRO A 71 9.164 -2.082 16.047 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.666 -1.024 13.594 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.354 -0.209 14.984 1.00 0.00 H new ATOM 0 HG2 PRO A 71 11.720 -2.149 13.067 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.347 -0.649 13.723 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.899 -3.163 14.817 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.022 -1.665 15.719 1.00 0.00 H new ATOM 1116 N PRO A 72 8.034 -3.420 14.145 1.00 0.00 N ATOM 1117 CA PRO A 72 7.371 -4.412 13.290 1.00 0.00 C ATOM 1118 C PRO A 72 7.795 -4.277 11.809 1.00 0.00 C ATOM 1119 O PRO A 72 8.296 -3.220 11.417 1.00 0.00 O ATOM 1120 CB PRO A 72 5.876 -4.131 13.462 1.00 0.00 C ATOM 1121 CG PRO A 72 5.839 -2.624 13.705 1.00 0.00 C ATOM 1122 CD PRO A 72 7.084 -2.395 14.556 1.00 0.00 C ATOM 0 HA PRO A 72 7.641 -5.430 13.573 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.307 -4.411 12.575 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.454 -4.686 14.300 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.876 -2.062 12.772 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.931 -2.319 14.225 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.491 -1.397 14.395 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.853 -2.478 15.618 1.00 0.00 H new ATOM 1130 N PRO A 73 7.579 -5.303 10.959 1.00 0.00 N ATOM 1131 CA PRO A 73 7.952 -5.307 9.535 1.00 0.00 C ATOM 1132 C PRO A 73 7.638 -4.033 8.731 1.00 0.00 C ATOM 1133 O PRO A 73 8.482 -3.582 7.953 1.00 0.00 O ATOM 1134 CB PRO A 73 7.259 -6.536 8.938 1.00 0.00 C ATOM 1135 CG PRO A 73 7.220 -7.507 10.114 1.00 0.00 C ATOM 1136 CD PRO A 73 6.985 -6.589 11.312 1.00 0.00 C ATOM 0 HA PRO A 73 9.039 -5.341 9.469 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.259 -6.300 8.575 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.816 -6.944 8.095 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.421 -8.240 10.005 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.153 -8.063 10.209 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.920 -6.483 11.519 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.445 -6.997 12.212 1.00 0.00 H new ATOM 1144 N HIS A 74 6.463 -3.411 8.919 1.00 0.00 N ATOM 1145 CA HIS A 74 6.108 -2.167 8.210 1.00 0.00 C ATOM 1146 C HIS A 74 7.025 -0.991 8.587 1.00 0.00 C ATOM 1147 O HIS A 74 7.460 -0.239 7.713 1.00 0.00 O ATOM 1148 CB HIS A 74 4.611 -1.845 8.385 1.00 0.00 C ATOM 1149 CG HIS A 74 4.162 -1.533 9.793 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.650 -2.438 10.706 1.00 0.00 N ATOM 1151 CD2 HIS A 74 4.082 -0.288 10.358 1.00 0.00 C ATOM 1152 CE1 HIS A 74 3.266 -1.755 11.802 1.00 0.00 C ATOM 1153 NE2 HIS A 74 3.538 -0.449 11.617 1.00 0.00 N ATOM 0 H HIS A 74 5.741 -3.748 9.556 1.00 0.00 H new ATOM 0 HA HIS A 74 6.279 -2.332 7.146 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.366 -0.994 7.750 1.00 0.00 H new ATOM 0 HB3 HIS A 74 4.032 -2.693 8.019 1.00 0.00 H new ATOM 0 HD2 HIS A 74 4.387 0.644 9.905 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.814 -2.184 12.684 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.370 0.296 12.293 1.00 0.00 H new ATOM 1162 N LEU A 75 7.396 -0.871 9.867 1.00 0.00 N ATOM 1163 CA LEU A 75 8.349 0.139 10.342 1.00 0.00 C ATOM 1164 C LEU A 75 9.798 -0.259 10.006 1.00 0.00 C ATOM 1165 O LEU A 75 10.589 0.624 9.678 1.00 0.00 O ATOM 1166 CB LEU A 75 8.129 0.415 11.841 1.00 0.00 C ATOM 1167 CG LEU A 75 7.008 1.433 12.133 1.00 0.00 C ATOM 1168 CD1 LEU A 75 6.654 1.429 13.620 1.00 0.00 C ATOM 1169 CD2 LEU A 75 7.416 2.862 11.763 1.00 0.00 C ATOM 0 H LEU A 75 7.041 -1.476 10.607 1.00 0.00 H new ATOM 0 HA LEU A 75 8.167 1.076 9.815 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.893 -0.524 12.342 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.060 0.781 12.273 1.00 0.00 H new ATOM 0 HG LEU A 75 6.155 1.130 11.526 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.861 2.153 13.807 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.313 0.435 13.910 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.535 1.696 14.204 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.595 3.544 11.986 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.295 3.150 12.340 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.649 2.910 10.699 1.00 0.00 H new ATOM 1181 N LYS A 76 10.148 -1.559 9.979 1.00 0.00 N ATOM 1182 CA LYS A 76 11.473 -2.020 9.499 1.00 0.00 C ATOM 1183 C LYS A 76 11.674 -1.587 8.044 1.00 0.00 C ATOM 1184 O LYS A 76 12.728 -1.066 7.693 1.00 0.00 O ATOM 1185 CB LYS A 76 11.649 -3.549 9.606 1.00 0.00 C ATOM 1186 CG LYS A 76 11.780 -4.052 11.048 1.00 0.00 C ATOM 1187 CD LYS A 76 12.229 -5.518 11.111 1.00 0.00 C ATOM 1188 CE LYS A 76 12.452 -5.929 12.570 1.00 0.00 C ATOM 1189 NZ LYS A 76 13.045 -7.277 12.673 1.00 0.00 N ATOM 0 H LYS A 76 9.533 -2.313 10.284 1.00 0.00 H new ATOM 0 HA LYS A 76 12.223 -1.560 10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.796 -4.038 9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.536 -3.844 9.045 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.497 -3.431 11.584 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.822 -3.945 11.557 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.475 -6.159 10.654 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.149 -5.651 10.541 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.107 -5.205 13.056 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.502 -5.908 13.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.845 -7.673 13.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.634 -7.894 11.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.074 -7.215 12.535 1.00 0.00 H new ATOM 1203 N THR A 77 10.638 -1.737 7.213 1.00 0.00 N ATOM 1204 CA THR A 77 10.651 -1.292 5.810 1.00 0.00 C ATOM 1205 C THR A 77 10.833 0.226 5.720 1.00 0.00 C ATOM 1206 O THR A 77 11.663 0.692 4.941 1.00 0.00 O ATOM 1207 CB THR A 77 9.372 -1.721 5.069 1.00 0.00 C ATOM 1208 OG1 THR A 77 9.205 -3.123 5.138 1.00 0.00 O ATOM 1209 CG2 THR A 77 9.428 -1.359 3.583 1.00 0.00 C ATOM 0 H THR A 77 9.760 -2.173 7.494 1.00 0.00 H new ATOM 0 HA THR A 77 11.499 -1.774 5.324 1.00 0.00 H new ATOM 0 HB THR A 77 8.548 -1.197 5.553 1.00 0.00 H new ATOM 0 HG1 THR A 77 8.945 -3.377 6.048 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.507 -1.679 3.096 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.540 -0.280 3.475 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.277 -1.860 3.118 1.00 0.00 H new ATOM 1217 N GLN A 78 10.124 1.014 6.541 1.00 0.00 N ATOM 1218 CA GLN A 78 10.283 2.476 6.571 1.00 0.00 C ATOM 1219 C GLN A 78 11.714 2.880 6.970 1.00 0.00 C ATOM 1220 O GLN A 78 12.269 3.828 6.408 1.00 0.00 O ATOM 1221 CB GLN A 78 9.226 3.091 7.507 1.00 0.00 C ATOM 1222 CG GLN A 78 9.278 4.626 7.611 1.00 0.00 C ATOM 1223 CD GLN A 78 9.062 5.338 6.275 1.00 0.00 C ATOM 1224 OE1 GLN A 78 7.950 5.675 5.889 1.00 0.00 O ATOM 1225 NE2 GLN A 78 10.108 5.585 5.514 1.00 0.00 N ATOM 0 H GLN A 78 9.429 0.660 7.198 1.00 0.00 H new ATOM 0 HA GLN A 78 10.123 2.870 5.567 1.00 0.00 H new ATOM 0 HB2 GLN A 78 8.236 2.797 7.159 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.352 2.668 8.504 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.518 4.960 8.318 1.00 0.00 H new ATOM 0 HG3 GLN A 78 10.245 4.922 8.019 1.00 0.00 H new ATOM 0 HE21 GLN A 78 11.040 5.310 5.823 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.986 6.052 4.615 1.00 0.00 H new ATOM 1234 N LEU A 79 12.326 2.147 7.904 1.00 0.00 N ATOM 1235 CA LEU A 79 13.707 2.356 8.342 1.00 0.00 C ATOM 1236 C LEU A 79 14.686 2.033 7.198 1.00 0.00 C ATOM 1237 O LEU A 79 15.576 2.826 6.906 1.00 0.00 O ATOM 1238 CB LEU A 79 13.939 1.502 9.605 1.00 0.00 C ATOM 1239 CG LEU A 79 15.137 1.871 10.495 1.00 0.00 C ATOM 1240 CD1 LEU A 79 16.496 1.614 9.845 1.00 0.00 C ATOM 1241 CD2 LEU A 79 15.059 3.321 10.964 1.00 0.00 C ATOM 0 H LEU A 79 11.865 1.376 8.386 1.00 0.00 H new ATOM 0 HA LEU A 79 13.888 3.400 8.599 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.037 1.551 10.216 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.057 0.464 9.294 1.00 0.00 H new ATOM 0 HG LEU A 79 15.064 1.203 11.353 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.289 1.900 10.536 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.589 0.555 9.603 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.580 2.204 8.932 1.00 0.00 H new ATOM 0 HD21 LEU A 79 15.921 3.548 11.591 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.055 3.984 10.099 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.144 3.469 11.538 1.00 0.00 H new ATOM 1253 N GLU A 80 14.497 0.915 6.490 1.00 0.00 N ATOM 1254 CA GLU A 80 15.322 0.561 5.324 1.00 0.00 C ATOM 1255 C GLU A 80 15.198 1.607 4.201 1.00 0.00 C ATOM 1256 O GLU A 80 16.187 1.909 3.536 1.00 0.00 O ATOM 1257 CB GLU A 80 14.957 -0.840 4.812 1.00 0.00 C ATOM 1258 CG GLU A 80 15.441 -1.945 5.762 1.00 0.00 C ATOM 1259 CD GLU A 80 14.925 -3.315 5.304 1.00 0.00 C ATOM 1260 OE1 GLU A 80 13.797 -3.687 5.707 1.00 0.00 O ATOM 1261 OE2 GLU A 80 15.654 -3.990 4.539 1.00 0.00 O ATOM 0 H GLU A 80 13.772 0.231 6.705 1.00 0.00 H new ATOM 0 HA GLU A 80 16.364 0.552 5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 80 13.876 -0.912 4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.397 -0.991 3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 80 16.530 -1.953 5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.094 -1.739 6.775 1.00 0.00 H new ATOM 1268 N ILE A 81 14.014 2.202 4.000 1.00 0.00 N ATOM 1269 CA ILE A 81 13.807 3.295 3.031 1.00 0.00 C ATOM 1270 C ILE A 81 14.607 4.534 3.478 1.00 0.00 C ATOM 1271 O ILE A 81 15.341 5.107 2.672 1.00 0.00 O ATOM 1272 CB ILE A 81 12.295 3.590 2.852 1.00 0.00 C ATOM 1273 CG1 ILE A 81 11.619 2.423 2.093 1.00 0.00 C ATOM 1274 CG2 ILE A 81 12.052 4.910 2.095 1.00 0.00 C ATOM 1275 CD1 ILE A 81 10.084 2.452 2.128 1.00 0.00 C ATOM 0 H ILE A 81 13.168 1.940 4.505 1.00 0.00 H new ATOM 0 HA ILE A 81 14.179 2.996 2.051 1.00 0.00 H new ATOM 0 HB ILE A 81 11.859 3.691 3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 81 11.948 2.442 1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.963 1.480 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.980 5.078 1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.497 5.735 2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 81 12.507 4.852 1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.691 1.600 1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.743 2.400 3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.727 3.377 1.674 1.00 0.00 H new ATOM 1287 N ASN A 82 14.524 4.918 4.761 1.00 0.00 N ATOM 1288 CA ASN A 82 15.290 6.030 5.346 1.00 0.00 C ATOM 1289 C ASN A 82 16.805 5.811 5.151 1.00 0.00 C ATOM 1290 O ASN A 82 17.512 6.695 4.667 1.00 0.00 O ATOM 1291 CB ASN A 82 14.882 6.159 6.834 1.00 0.00 C ATOM 1292 CG ASN A 82 15.571 7.258 7.631 1.00 0.00 C ATOM 1293 OD1 ASN A 82 16.282 8.113 7.123 1.00 0.00 O ATOM 1294 ND2 ASN A 82 15.372 7.264 8.930 1.00 0.00 N ATOM 0 H ASN A 82 13.912 4.456 5.433 1.00 0.00 H new ATOM 0 HA ASN A 82 15.062 6.969 4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.806 6.327 6.880 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.077 5.206 7.326 1.00 0.00 H new ATOM 0 HD21 ASN A 82 15.810 7.980 9.510 1.00 0.00 H new ATOM 0 HD22 ASN A 82 14.780 6.553 9.358 1.00 0.00 H new ATOM 1301 N GLY A 83 17.300 4.608 5.462 1.00 0.00 N ATOM 1302 CA GLY A 83 18.702 4.229 5.296 1.00 0.00 C ATOM 1303 C GLY A 83 19.181 4.246 3.844 1.00 0.00 C ATOM 1304 O GLY A 83 20.175 4.907 3.541 1.00 0.00 O ATOM 0 H GLY A 83 16.724 3.858 5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 83 19.323 4.907 5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.849 3.229 5.705 1.00 0.00 H new