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 53 CYS SG : rot 131:sc= 1.06 USER MOD Set 1.2: A 56 SER OG : rot 146:sc= 0 USER MOD Set 1.3: A 61 CYS SG : rot 75:sc= 1.01 USER MOD Set 1.4: A 66 CYS SG : rot 148:sc= 1.04 USER MOD Set 1.5: A 70 HIS : no HD1:sc= 0.0131 X(o=3.1,f=2.7) USER MOD Set 2.1: A 44 GLN : amide:sc= 0.592 K(o=1.2,f=-4.2!) USER MOD Set 2.2: A 67 LYS NZ :NH3+ 166:sc= 0.628 (180deg=0) USER MOD Set 3.1: A 40 SER OG : rot -52:sc= 0.86 USER MOD Set 3.2: A 43 CYS SG : rot 180:sc= 0.936 USER MOD Set 4.1: A 19 CYS SG : rot 133:sc= 0.729 USER MOD Set 4.2: A 27 CYS SG : rot 120:sc= 0.531 USER MOD Set 4.3: A 34 CYS SG : rot 129:sc= 1.13 USER MOD Set 4.4: A 38 HIS : no HD1:sc= -0.114 K(o=2.3,f=0.71) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0485) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0393 USER MOD Single : A 23 GLN : amide:sc= 0.824 K(o=0.82,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 53:sc= 0.011 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00496 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00524) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.43) USER MOD Single : A 58 LYS NZ :NH3+ -141:sc= 0.586 (180deg=0.0439) 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 X(o=0,f=-0.025) USER MOD Single : A 76 LYS NZ :NH3+ -126:sc= 0.125 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc=-0.00449 X(o=-0.0045,f=-0.29) USER MOD Single : A 82 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 142 N ASP A 10 25.832 8.431 11.654 1.00 0.00 N ATOM 143 CA ASP A 10 24.631 9.287 11.680 1.00 0.00 C ATOM 144 C ASP A 10 23.363 8.502 12.077 1.00 0.00 C ATOM 145 O ASP A 10 22.725 7.846 11.264 1.00 0.00 O ATOM 146 CB ASP A 10 24.474 9.953 10.297 1.00 0.00 C ATOM 147 CG ASP A 10 23.326 10.972 10.211 1.00 0.00 C ATOM 148 OD1 ASP A 10 22.635 11.197 11.232 1.00 0.00 O ATOM 149 OD2 ASP A 10 23.149 11.543 9.109 1.00 0.00 O ATOM 0 HA ASP A 10 24.758 10.053 12.445 1.00 0.00 H new ATOM 0 HB2 ASP A 10 25.408 10.453 10.040 1.00 0.00 H new ATOM 0 HB3 ASP A 10 24.312 9.177 9.549 1.00 0.00 H new ATOM 154 N THR A 11 22.953 8.607 13.336 1.00 0.00 N ATOM 155 CA THR A 11 21.780 7.922 13.919 1.00 0.00 C ATOM 156 C THR A 11 20.421 8.278 13.302 1.00 0.00 C ATOM 157 O THR A 11 19.462 7.519 13.482 1.00 0.00 O ATOM 158 CB THR A 11 21.706 8.184 15.433 1.00 0.00 C ATOM 159 OG1 THR A 11 21.778 9.572 15.686 1.00 0.00 O ATOM 160 CG2 THR A 11 22.866 7.518 16.177 1.00 0.00 C ATOM 0 H THR A 11 23.441 9.192 14.014 1.00 0.00 H new ATOM 0 HA THR A 11 21.950 6.870 13.691 1.00 0.00 H new ATOM 0 HB THR A 11 20.762 7.768 15.785 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.729 9.731 16.652 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.781 7.725 17.244 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.833 6.441 16.012 1.00 0.00 H new ATOM 0 HG23 THR A 11 23.811 7.913 15.805 1.00 0.00 H new ATOM 168 N LYS A 12 20.302 9.391 12.557 1.00 0.00 N ATOM 169 CA LYS A 12 19.028 9.831 11.949 1.00 0.00 C ATOM 170 C LYS A 12 18.400 8.820 10.982 1.00 0.00 C ATOM 171 O LYS A 12 17.186 8.833 10.771 1.00 0.00 O ATOM 172 CB LYS A 12 19.170 11.234 11.334 1.00 0.00 C ATOM 173 CG LYS A 12 19.516 11.269 9.836 1.00 0.00 C ATOM 174 CD LYS A 12 19.733 12.718 9.379 1.00 0.00 C ATOM 175 CE LYS A 12 19.867 12.821 7.858 1.00 0.00 C ATOM 176 NZ LYS A 12 18.579 12.592 7.169 1.00 0.00 N ATOM 0 H LYS A 12 21.085 10.013 12.358 1.00 0.00 H new ATOM 0 HA LYS A 12 18.309 9.890 12.766 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.236 11.774 11.486 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.943 11.774 11.880 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.415 10.682 9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.712 10.814 9.258 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.897 13.333 9.713 1.00 0.00 H new ATOM 0 HD3 LYS A 12 20.631 13.117 9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.248 13.807 7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 12 20.599 12.093 7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.685 12.803 6.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.294 11.599 7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.851 13.212 7.578 1.00 0.00 H new ATOM 190 N TRP A 13 19.216 7.936 10.399 1.00 0.00 N ATOM 191 CA TRP A 13 18.724 6.874 9.515 1.00 0.00 C ATOM 192 C TRP A 13 18.232 5.638 10.292 1.00 0.00 C ATOM 193 O TRP A 13 17.424 4.872 9.768 1.00 0.00 O ATOM 194 CB TRP A 13 19.745 6.528 8.429 1.00 0.00 C ATOM 195 CG TRP A 13 20.879 5.619 8.786 1.00 0.00 C ATOM 196 CD1 TRP A 13 22.133 6.025 9.078 1.00 0.00 C ATOM 197 CD2 TRP A 13 20.921 4.154 8.821 1.00 0.00 C ATOM 198 NE1 TRP A 13 22.942 4.931 9.294 1.00 0.00 N ATOM 199 CE2 TRP A 13 22.255 3.751 9.129 1.00 0.00 C ATOM 200 CE3 TRP A 13 19.981 3.119 8.606 1.00 0.00 C ATOM 201 CZ2 TRP A 13 22.645 2.407 9.190 1.00 0.00 C ATOM 202 CZ3 TRP A 13 20.360 1.764 8.669 1.00 0.00 C ATOM 203 CH2 TRP A 13 21.691 1.407 8.952 1.00 0.00 C ATOM 0 H TRP A 13 20.228 7.936 10.525 1.00 0.00 H new ATOM 0 HA TRP A 13 17.845 7.266 9.004 1.00 0.00 H new ATOM 0 HB2 TRP A 13 19.205 6.076 7.597 1.00 0.00 H new ATOM 0 HB3 TRP A 13 20.170 7.462 8.063 1.00 0.00 H new ATOM 0 HD1 TRP A 13 22.454 7.055 9.134 1.00 0.00 H new ATOM 0 HE1 TRP A 13 23.929 4.989 9.545 1.00 0.00 H new ATOM 0 HE3 TRP A 13 18.954 3.373 8.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 23.668 2.144 9.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 19.623 0.993 8.499 1.00 0.00 H new ATOM 0 HH2 TRP A 13 21.977 0.366 8.986 1.00 0.00 H new ATOM 214 N LEU A 14 18.672 5.476 11.548 1.00 0.00 N ATOM 215 CA LEU A 14 18.281 4.397 12.462 1.00 0.00 C ATOM 216 C LEU A 14 17.152 4.804 13.431 1.00 0.00 C ATOM 217 O LEU A 14 16.552 3.919 14.040 1.00 0.00 O ATOM 218 CB LEU A 14 19.507 3.932 13.276 1.00 0.00 C ATOM 219 CG LEU A 14 20.554 3.096 12.518 1.00 0.00 C ATOM 220 CD1 LEU A 14 21.773 2.873 13.416 1.00 0.00 C ATOM 221 CD2 LEU A 14 20.012 1.719 12.129 1.00 0.00 C ATOM 0 H LEU A 14 19.339 6.122 11.971 1.00 0.00 H new ATOM 0 HA LEU A 14 17.899 3.586 11.843 1.00 0.00 H new ATOM 0 HB2 LEU A 14 20.002 4.814 13.682 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.152 3.347 14.125 1.00 0.00 H new ATOM 0 HG LEU A 14 20.815 3.647 11.614 1.00 0.00 H new ATOM 0 HD11 LEU A 14 22.516 2.281 12.881 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.205 3.836 13.689 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.468 2.343 14.318 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.783 1.162 11.596 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.726 1.173 13.028 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.141 1.840 11.485 1.00 0.00 H new ATOM 233 N THR A 15 16.845 6.093 13.620 1.00 0.00 N ATOM 234 CA THR A 15 15.788 6.511 14.565 1.00 0.00 C ATOM 235 C THR A 15 14.361 6.376 14.015 1.00 0.00 C ATOM 236 O THR A 15 14.104 6.559 12.822 1.00 0.00 O ATOM 237 CB THR A 15 15.934 7.976 15.023 1.00 0.00 C ATOM 238 OG1 THR A 15 16.434 8.808 14.002 1.00 0.00 O ATOM 239 CG2 THR A 15 16.846 8.105 16.237 1.00 0.00 C ATOM 0 H THR A 15 17.307 6.864 13.138 1.00 0.00 H new ATOM 0 HA THR A 15 15.930 5.822 15.398 1.00 0.00 H new ATOM 0 HB THR A 15 14.927 8.298 15.287 1.00 0.00 H new ATOM 0 HG1 THR A 15 16.509 9.726 14.336 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.921 9.153 16.526 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.433 7.529 17.065 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.837 7.725 15.989 1.00 0.00 H new ATOM 247 N LEU A 16 13.414 6.107 14.925 1.00 0.00 N ATOM 248 CA LEU A 16 11.966 6.020 14.688 1.00 0.00 C ATOM 249 C LEU A 16 11.229 6.762 15.816 1.00 0.00 C ATOM 250 O LEU A 16 11.611 6.669 16.984 1.00 0.00 O ATOM 251 CB LEU A 16 11.517 4.547 14.606 1.00 0.00 C ATOM 252 CG LEU A 16 11.979 3.800 13.340 1.00 0.00 C ATOM 253 CD1 LEU A 16 11.606 2.321 13.445 1.00 0.00 C ATOM 254 CD2 LEU A 16 11.331 4.343 12.062 1.00 0.00 C ATOM 0 H LEU A 16 13.652 5.934 15.902 1.00 0.00 H new ATOM 0 HA LEU A 16 11.723 6.489 13.735 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.894 4.018 15.481 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.429 4.510 14.656 1.00 0.00 H new ATOM 0 HG LEU A 16 13.058 3.943 13.277 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.935 1.798 12.547 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.092 1.884 14.318 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.525 2.225 13.545 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.693 3.779 11.202 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.248 4.242 12.132 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.590 5.395 11.941 1.00 0.00 H new ATOM 266 N GLU A 17 10.199 7.529 15.459 1.00 0.00 N ATOM 267 CA GLU A 17 9.417 8.362 16.385 1.00 0.00 C ATOM 268 C GLU A 17 8.432 7.559 17.261 1.00 0.00 C ATOM 269 O GLU A 17 7.835 6.570 16.828 1.00 0.00 O ATOM 270 CB GLU A 17 8.714 9.455 15.560 1.00 0.00 C ATOM 271 CG GLU A 17 7.964 10.497 16.400 1.00 0.00 C ATOM 272 CD GLU A 17 7.617 11.738 15.569 1.00 0.00 C ATOM 273 OE1 GLU A 17 8.369 12.739 15.674 1.00 0.00 O ATOM 274 OE2 GLU A 17 6.611 11.693 14.823 1.00 0.00 O ATOM 0 H GLU A 17 9.874 7.593 14.494 1.00 0.00 H new ATOM 0 HA GLU A 17 10.096 8.816 17.106 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.457 9.966 14.948 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.009 8.981 14.877 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.050 10.056 16.798 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.576 10.788 17.254 1.00 0.00 H new ATOM 281 N VAL A 18 8.259 8.015 18.504 1.00 0.00 N ATOM 282 CA VAL A 18 7.378 7.456 19.541 1.00 0.00 C ATOM 283 C VAL A 18 5.967 8.052 19.437 1.00 0.00 C ATOM 284 O VAL A 18 5.809 9.251 19.188 1.00 0.00 O ATOM 285 CB VAL A 18 7.977 7.726 20.939 1.00 0.00 C ATOM 286 CG1 VAL A 18 7.100 7.203 22.082 1.00 0.00 C ATOM 287 CG2 VAL A 18 9.350 7.054 21.075 1.00 0.00 C ATOM 0 H VAL A 18 8.761 8.837 18.838 1.00 0.00 H new ATOM 0 HA VAL A 18 7.301 6.379 19.390 1.00 0.00 H new ATOM 0 HB VAL A 18 8.051 8.810 21.019 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.577 7.424 23.037 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.124 7.687 22.043 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.974 6.125 21.980 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.757 7.255 22.066 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.244 5.978 20.938 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.026 7.451 20.318 1.00 0.00 H new ATOM 297 N CYS A 19 4.939 7.221 19.632 1.00 0.00 N ATOM 298 CA CYS A 19 3.530 7.615 19.566 1.00 0.00 C ATOM 299 C CYS A 19 3.176 8.762 20.539 1.00 0.00 C ATOM 300 O CYS A 19 3.574 8.773 21.713 1.00 0.00 O ATOM 301 CB CYS A 19 2.689 6.353 19.794 1.00 0.00 C ATOM 302 SG CYS A 19 0.903 6.646 19.611 1.00 0.00 S ATOM 0 H CYS A 19 5.067 6.232 19.845 1.00 0.00 H new ATOM 0 HA CYS A 19 3.310 8.032 18.583 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.000 5.584 19.087 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.888 5.966 20.794 1.00 0.00 H new ATOM 0 HG CYS A 19 0.387 5.722 18.856 1.00 0.00 H new ATOM 307 N ARG A 20 2.430 9.755 20.036 1.00 0.00 N ATOM 308 CA ARG A 20 1.989 10.943 20.787 1.00 0.00 C ATOM 309 C ARG A 20 1.040 10.587 21.935 1.00 0.00 C ATOM 310 O ARG A 20 1.129 11.184 23.007 1.00 0.00 O ATOM 311 CB ARG A 20 1.339 11.935 19.803 1.00 0.00 C ATOM 312 CG ARG A 20 1.034 13.299 20.441 1.00 0.00 C ATOM 313 CD ARG A 20 0.436 14.262 19.410 1.00 0.00 C ATOM 314 NE ARG A 20 0.142 15.574 20.014 1.00 0.00 N ATOM 315 CZ ARG A 20 -0.395 16.614 19.397 1.00 0.00 C ATOM 316 NH1 ARG A 20 -0.611 17.724 20.049 1.00 0.00 N ATOM 317 NH2 ARG A 20 -0.732 16.589 18.133 1.00 0.00 N ATOM 0 H ARG A 20 2.107 9.756 19.069 1.00 0.00 H new ATOM 0 HA ARG A 20 2.858 11.406 21.254 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.002 12.079 18.950 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.414 11.504 19.419 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.339 13.170 21.270 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.948 13.724 20.855 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.131 14.388 18.580 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.478 13.835 18.997 1.00 0.00 H new ATOM 0 HE ARG A 20 0.374 15.691 21.000 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.366 17.791 21.037 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.025 18.524 19.571 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.583 15.743 17.582 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.143 17.415 17.698 1.00 0.00 H new ATOM 331 N GLU A 21 0.162 9.609 21.729 1.00 0.00 N ATOM 332 CA GLU A 21 -0.792 9.133 22.738 1.00 0.00 C ATOM 333 C GLU A 21 -0.129 8.180 23.747 1.00 0.00 C ATOM 334 O GLU A 21 -0.489 8.183 24.925 1.00 0.00 O ATOM 335 CB GLU A 21 -1.994 8.474 22.045 1.00 0.00 C ATOM 336 CG GLU A 21 -2.885 9.509 21.346 1.00 0.00 C ATOM 337 CD GLU A 21 -4.135 8.851 20.747 1.00 0.00 C ATOM 338 OE1 GLU A 21 -5.076 8.553 21.523 1.00 0.00 O ATOM 339 OE2 GLU A 21 -4.171 8.667 19.506 1.00 0.00 O ATOM 0 H GLU A 21 0.089 9.113 20.841 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.146 9.991 23.310 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.639 7.747 21.314 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.582 7.925 22.781 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.182 10.278 22.059 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.320 10.006 20.558 1.00 0.00 H new ATOM 346 N PHE A 22 0.881 7.402 23.340 1.00 0.00 N ATOM 347 CA PHE A 22 1.635 6.523 24.244 1.00 0.00 C ATOM 348 C PHE A 22 2.369 7.335 25.325 1.00 0.00 C ATOM 349 O PHE A 22 2.324 6.991 26.507 1.00 0.00 O ATOM 350 CB PHE A 22 2.612 5.687 23.415 1.00 0.00 C ATOM 351 CG PHE A 22 3.429 4.682 24.200 1.00 0.00 C ATOM 352 CD1 PHE A 22 4.783 4.941 24.487 1.00 0.00 C ATOM 353 CD2 PHE A 22 2.841 3.475 24.624 1.00 0.00 C ATOM 354 CE1 PHE A 22 5.543 3.998 25.200 1.00 0.00 C ATOM 355 CE2 PHE A 22 3.602 2.533 25.339 1.00 0.00 C ATOM 356 CZ PHE A 22 4.953 2.794 25.626 1.00 0.00 C ATOM 0 H PHE A 22 1.200 7.364 22.372 1.00 0.00 H new ATOM 0 HA PHE A 22 0.945 5.859 24.765 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.049 5.154 22.648 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.295 6.362 22.898 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.237 5.864 24.159 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.804 3.272 24.400 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.581 4.198 25.421 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.149 1.609 25.667 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.538 2.070 26.174 1.00 0.00 H new ATOM 366 N GLN A 23 2.979 8.462 24.935 1.00 0.00 N ATOM 367 CA GLN A 23 3.653 9.414 25.835 1.00 0.00 C ATOM 368 C GLN A 23 2.696 10.086 26.846 1.00 0.00 C ATOM 369 O GLN A 23 3.147 10.638 27.852 1.00 0.00 O ATOM 370 CB GLN A 23 4.380 10.470 24.988 1.00 0.00 C ATOM 371 CG GLN A 23 5.628 9.888 24.307 1.00 0.00 C ATOM 372 CD GLN A 23 6.179 10.821 23.234 1.00 0.00 C ATOM 373 OE1 GLN A 23 7.026 11.671 23.476 1.00 0.00 O ATOM 374 NE2 GLN A 23 5.716 10.698 22.010 1.00 0.00 N ATOM 0 H GLN A 23 3.020 8.747 23.956 1.00 0.00 H new ATOM 0 HA GLN A 23 4.367 8.851 26.436 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.700 10.861 24.231 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.668 11.309 25.621 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.397 9.703 25.057 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.381 8.925 23.859 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.010 9.992 21.800 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.063 11.308 21.270 1.00 0.00 H new ATOM 383 N ARG A 24 1.379 10.016 26.599 1.00 0.00 N ATOM 384 CA ARG A 24 0.287 10.544 27.441 1.00 0.00 C ATOM 385 C ARG A 24 -0.529 9.433 28.127 1.00 0.00 C ATOM 386 O ARG A 24 -1.462 9.731 28.875 1.00 0.00 O ATOM 387 CB ARG A 24 -0.603 11.468 26.576 1.00 0.00 C ATOM 388 CG ARG A 24 -0.347 12.969 26.803 1.00 0.00 C ATOM 389 CD ARG A 24 1.106 13.435 26.626 1.00 0.00 C ATOM 390 NE ARG A 24 1.620 13.176 25.269 1.00 0.00 N ATOM 391 CZ ARG A 24 2.673 13.747 24.711 1.00 0.00 C ATOM 392 NH1 ARG A 24 3.006 13.414 23.497 1.00 0.00 N ATOM 393 NH2 ARG A 24 3.413 14.637 25.318 1.00 0.00 N ATOM 0 H ARG A 24 1.024 9.563 25.757 1.00 0.00 H new ATOM 0 HA ARG A 24 0.724 11.119 28.257 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.437 11.236 25.524 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.650 11.251 26.789 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.976 13.533 26.114 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.670 13.225 27.812 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.170 14.502 26.838 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.738 12.927 27.354 1.00 0.00 H new ATOM 0 HE ARG A 24 1.115 12.491 24.707 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.456 12.721 22.989 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.816 13.847 23.054 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.188 14.923 26.271 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.215 15.046 24.839 1.00 0.00 H new ATOM 407 N GLY A 25 -0.182 8.162 27.901 1.00 0.00 N ATOM 408 CA GLY A 25 -0.855 6.992 28.473 1.00 0.00 C ATOM 409 C GLY A 25 -2.274 6.747 27.938 1.00 0.00 C ATOM 410 O GLY A 25 -3.088 6.145 28.642 1.00 0.00 O ATOM 0 H GLY A 25 0.600 7.911 27.296 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.249 6.108 28.276 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.904 7.110 29.555 1.00 0.00 H new ATOM 414 N THR A 26 -2.590 7.217 26.724 1.00 0.00 N ATOM 415 CA THR A 26 -3.926 7.102 26.100 1.00 0.00 C ATOM 416 C THR A 26 -3.995 6.138 24.906 1.00 0.00 C ATOM 417 O THR A 26 -5.098 5.719 24.544 1.00 0.00 O ATOM 418 CB THR A 26 -4.482 8.482 25.704 1.00 0.00 C ATOM 419 OG1 THR A 26 -3.545 9.220 24.949 1.00 0.00 O ATOM 420 CG2 THR A 26 -4.830 9.323 26.933 1.00 0.00 C ATOM 0 H THR A 26 -1.914 7.699 26.131 1.00 0.00 H new ATOM 0 HA THR A 26 -4.555 6.664 26.875 1.00 0.00 H new ATOM 0 HB THR A 26 -5.377 8.284 25.114 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.929 10.090 24.712 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.219 10.290 26.614 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.584 8.806 27.526 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.935 9.474 27.536 1.00 0.00 H new ATOM 428 N CYS A 27 -2.859 5.728 24.324 1.00 0.00 N ATOM 429 CA CYS A 27 -2.817 4.732 23.243 1.00 0.00 C ATOM 430 C CYS A 27 -3.112 3.323 23.816 1.00 0.00 C ATOM 431 O CYS A 27 -2.661 2.991 24.920 1.00 0.00 O ATOM 432 CB CYS A 27 -1.446 4.808 22.542 1.00 0.00 C ATOM 433 SG CYS A 27 -1.501 4.110 20.857 1.00 0.00 S ATOM 0 H CYS A 27 -1.939 6.079 24.591 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.585 4.941 22.498 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.121 5.847 22.494 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.706 4.269 23.134 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.172 5.027 19.996 1.00 0.00 H new ATOM 438 N SER A 28 -3.882 2.499 23.096 1.00 0.00 N ATOM 439 CA SER A 28 -4.292 1.151 23.537 1.00 0.00 C ATOM 440 C SER A 28 -4.272 0.102 22.411 1.00 0.00 C ATOM 441 O SER A 28 -5.287 -0.524 22.088 1.00 0.00 O ATOM 442 CB SER A 28 -5.652 1.228 24.258 1.00 0.00 C ATOM 443 OG SER A 28 -6.677 1.768 23.433 1.00 0.00 O ATOM 0 H SER A 28 -4.246 2.749 22.176 1.00 0.00 H new ATOM 0 HA SER A 28 -3.545 0.796 24.247 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.942 0.230 24.586 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.550 1.841 25.154 1.00 0.00 H new ATOM 0 HG SER A 28 -6.712 1.272 22.588 1.00 0.00 H new ATOM 449 N ARG A 29 -3.089 -0.105 21.818 1.00 0.00 N ATOM 450 CA ARG A 29 -2.811 -1.073 20.737 1.00 0.00 C ATOM 451 C ARG A 29 -1.309 -1.419 20.674 1.00 0.00 C ATOM 452 O ARG A 29 -0.491 -0.605 21.117 1.00 0.00 O ATOM 453 CB ARG A 29 -3.311 -0.497 19.392 1.00 0.00 C ATOM 454 CG ARG A 29 -2.630 0.822 18.989 1.00 0.00 C ATOM 455 CD ARG A 29 -3.136 1.374 17.650 1.00 0.00 C ATOM 456 NE ARG A 29 -4.583 1.662 17.657 1.00 0.00 N ATOM 457 CZ ARG A 29 -5.174 2.689 18.249 1.00 0.00 C ATOM 458 NH1 ARG A 29 -6.469 2.835 18.161 1.00 0.00 N ATOM 459 NH2 ARG A 29 -4.523 3.589 18.936 1.00 0.00 N ATOM 0 H ARG A 29 -2.257 0.420 22.088 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.345 -2.001 20.944 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.145 -1.235 18.607 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.387 -0.335 19.455 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.799 1.565 19.769 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.553 0.664 18.927 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.590 2.286 17.410 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.918 0.655 16.861 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.186 1.008 17.158 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.024 2.159 17.637 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.925 3.625 18.616 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.510 3.520 19.036 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.027 4.361 19.372 1.00 0.00 H new ATOM 473 N PRO A 30 -0.913 -2.589 20.135 1.00 0.00 N ATOM 474 CA PRO A 30 0.499 -2.954 20.019 1.00 0.00 C ATOM 475 C PRO A 30 1.218 -2.104 18.958 1.00 0.00 C ATOM 476 O PRO A 30 0.595 -1.556 18.047 1.00 0.00 O ATOM 477 CB PRO A 30 0.500 -4.443 19.653 1.00 0.00 C ATOM 478 CG PRO A 30 -0.811 -4.621 18.891 1.00 0.00 C ATOM 479 CD PRO A 30 -1.757 -3.648 19.596 1.00 0.00 C ATOM 0 HA PRO A 30 1.042 -2.770 20.946 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.361 -4.705 19.038 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.538 -5.075 20.540 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.699 -4.380 17.834 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.174 -5.647 18.947 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.492 -3.245 18.900 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.311 -4.148 20.390 1.00 0.00 H new ATOM 487 N ASP A 31 2.549 -2.034 19.049 1.00 0.00 N ATOM 488 CA ASP A 31 3.426 -1.306 18.112 1.00 0.00 C ATOM 489 C ASP A 31 3.152 -1.693 16.639 1.00 0.00 C ATOM 490 O ASP A 31 3.136 -0.852 15.742 1.00 0.00 O ATOM 491 CB ASP A 31 4.880 -1.612 18.521 1.00 0.00 C ATOM 492 CG ASP A 31 5.917 -0.616 17.992 1.00 0.00 C ATOM 493 OD1 ASP A 31 6.701 -0.112 18.830 1.00 0.00 O ATOM 494 OD2 ASP A 31 5.964 -0.379 16.766 1.00 0.00 O ATOM 0 H ASP A 31 3.067 -2.494 19.797 1.00 0.00 H new ATOM 0 HA ASP A 31 3.230 -0.235 18.170 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.940 -1.634 19.609 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.140 -2.609 18.167 1.00 0.00 H new ATOM 499 N THR A 32 2.880 -2.981 16.403 1.00 0.00 N ATOM 500 CA THR A 32 2.542 -3.583 15.100 1.00 0.00 C ATOM 501 C THR A 32 1.257 -3.021 14.474 1.00 0.00 C ATOM 502 O THR A 32 1.127 -2.999 13.251 1.00 0.00 O ATOM 503 CB THR A 32 2.366 -5.102 15.276 1.00 0.00 C ATOM 504 OG1 THR A 32 3.404 -5.627 16.081 1.00 0.00 O ATOM 505 CG2 THR A 32 2.396 -5.882 13.960 1.00 0.00 C ATOM 0 H THR A 32 2.889 -3.672 17.153 1.00 0.00 H new ATOM 0 HA THR A 32 3.365 -3.341 14.427 1.00 0.00 H new ATOM 0 HB THR A 32 1.384 -5.222 15.735 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.279 -6.593 16.186 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.266 -6.945 14.164 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.590 -5.535 13.313 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.353 -5.722 13.464 1.00 0.00 H new ATOM 513 N GLU A 33 0.310 -2.549 15.290 1.00 0.00 N ATOM 514 CA GLU A 33 -0.973 -1.985 14.844 1.00 0.00 C ATOM 515 C GLU A 33 -0.943 -0.445 14.777 1.00 0.00 C ATOM 516 O GLU A 33 -1.627 0.149 13.939 1.00 0.00 O ATOM 517 CB GLU A 33 -2.064 -2.474 15.815 1.00 0.00 C ATOM 518 CG GLU A 33 -3.510 -2.163 15.402 1.00 0.00 C ATOM 519 CD GLU A 33 -3.933 -2.935 14.144 1.00 0.00 C ATOM 520 OE1 GLU A 33 -4.361 -4.106 14.289 1.00 0.00 O ATOM 521 OE2 GLU A 33 -3.825 -2.364 13.032 1.00 0.00 O ATOM 0 H GLU A 33 0.414 -2.547 16.305 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.182 -2.324 13.830 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.963 -3.553 15.933 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.881 -2.028 16.793 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.182 -2.413 16.223 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.612 -1.093 15.221 1.00 0.00 H new ATOM 528 N CYS A 34 -0.145 0.199 15.637 1.00 0.00 N ATOM 529 CA CYS A 34 0.010 1.656 15.678 1.00 0.00 C ATOM 530 C CYS A 34 0.857 2.206 14.505 1.00 0.00 C ATOM 531 O CYS A 34 1.494 1.462 13.750 1.00 0.00 O ATOM 532 CB CYS A 34 0.574 2.061 17.052 1.00 0.00 C ATOM 533 SG CYS A 34 0.047 3.754 17.498 1.00 0.00 S ATOM 0 H CYS A 34 0.420 -0.286 16.334 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.971 2.112 15.548 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.233 1.357 17.812 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.663 2.007 17.033 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.477 3.746 18.688 1.00 0.00 H new ATOM 538 N LYS A 35 0.869 3.536 14.359 1.00 0.00 N ATOM 539 CA LYS A 35 1.606 4.285 13.320 1.00 0.00 C ATOM 540 C LYS A 35 3.025 4.694 13.761 1.00 0.00 C ATOM 541 O LYS A 35 3.844 5.088 12.929 1.00 0.00 O ATOM 542 CB LYS A 35 0.751 5.508 12.929 1.00 0.00 C ATOM 543 CG LYS A 35 1.223 6.209 11.641 1.00 0.00 C ATOM 544 CD LYS A 35 0.231 7.270 11.141 1.00 0.00 C ATOM 545 CE LYS A 35 0.114 8.447 12.115 1.00 0.00 C ATOM 546 NZ LYS A 35 -0.802 9.484 11.593 1.00 0.00 N ATOM 0 H LYS A 35 0.346 4.150 14.984 1.00 0.00 H new ATOM 0 HA LYS A 35 1.761 3.638 12.457 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.284 5.190 12.801 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.765 6.226 13.749 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.190 6.679 11.822 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.373 5.463 10.861 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.552 7.636 10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.749 6.814 11.003 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.248 8.090 13.079 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.099 8.881 12.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.862 10.269 12.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.442 9.840 10.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.747 9.074 11.454 1.00 0.00 H new ATOM 560 N PHE A 36 3.318 4.588 15.056 1.00 0.00 N ATOM 561 CA PHE A 36 4.577 4.980 15.702 1.00 0.00 C ATOM 562 C PHE A 36 5.067 3.922 16.713 1.00 0.00 C ATOM 563 O PHE A 36 4.445 2.870 16.881 1.00 0.00 O ATOM 564 CB PHE A 36 4.362 6.350 16.361 1.00 0.00 C ATOM 565 CG PHE A 36 4.052 7.491 15.409 1.00 0.00 C ATOM 566 CD1 PHE A 36 2.787 8.110 15.431 1.00 0.00 C ATOM 567 CD2 PHE A 36 5.039 7.951 14.517 1.00 0.00 C ATOM 568 CE1 PHE A 36 2.511 9.185 14.567 1.00 0.00 C ATOM 569 CE2 PHE A 36 4.760 9.020 13.647 1.00 0.00 C ATOM 570 CZ PHE A 36 3.497 9.639 13.673 1.00 0.00 C ATOM 0 H PHE A 36 2.648 4.205 15.723 1.00 0.00 H new ATOM 0 HA PHE A 36 5.367 5.050 14.954 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.545 6.265 17.077 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.257 6.606 16.928 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.027 7.758 16.113 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.012 7.482 14.501 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.542 9.662 14.590 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.516 9.366 12.958 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.285 10.462 13.007 1.00 0.00 H new ATOM 580 N ALA A 37 6.207 4.173 17.367 1.00 0.00 N ATOM 581 CA ALA A 37 6.839 3.220 18.280 1.00 0.00 C ATOM 582 C ALA A 37 6.366 3.354 19.745 1.00 0.00 C ATOM 583 O ALA A 37 6.060 4.449 20.221 1.00 0.00 O ATOM 584 CB ALA A 37 8.355 3.438 18.193 1.00 0.00 C ATOM 0 H ALA A 37 6.719 5.050 17.275 1.00 0.00 H new ATOM 0 HA ALA A 37 6.553 2.214 17.974 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.862 2.743 18.862 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.689 3.265 17.170 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.593 4.461 18.485 1.00 0.00 H new ATOM 590 N HIS A 38 6.327 2.219 20.455 1.00 0.00 N ATOM 591 CA HIS A 38 5.934 2.055 21.865 1.00 0.00 C ATOM 592 C HIS A 38 7.090 1.457 22.716 1.00 0.00 C ATOM 593 O HIS A 38 7.012 0.295 23.133 1.00 0.00 O ATOM 594 CB HIS A 38 4.640 1.215 21.940 1.00 0.00 C ATOM 595 CG HIS A 38 3.417 1.820 21.282 1.00 0.00 C ATOM 596 ND1 HIS A 38 2.290 1.137 20.876 1.00 0.00 N ATOM 597 CD2 HIS A 38 3.180 3.147 21.030 1.00 0.00 C ATOM 598 CE1 HIS A 38 1.411 2.030 20.383 1.00 0.00 C ATOM 599 NE2 HIS A 38 1.912 3.274 20.449 1.00 0.00 N ATOM 0 H HIS A 38 6.587 1.328 20.032 1.00 0.00 H new ATOM 0 HA HIS A 38 5.727 3.034 22.298 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.833 0.245 21.481 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.410 1.031 22.989 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.859 3.959 21.244 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.437 1.780 19.989 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.461 4.135 20.139 1.00 0.00 H new ATOM 607 N PRO A 39 8.193 2.198 22.955 1.00 0.00 N ATOM 608 CA PRO A 39 9.362 1.726 23.709 1.00 0.00 C ATOM 609 C PRO A 39 9.128 1.582 25.222 1.00 0.00 C ATOM 610 O PRO A 39 8.176 2.124 25.785 1.00 0.00 O ATOM 611 CB PRO A 39 10.456 2.755 23.437 1.00 0.00 C ATOM 612 CG PRO A 39 9.665 4.047 23.250 1.00 0.00 C ATOM 613 CD PRO A 39 8.413 3.570 22.518 1.00 0.00 C ATOM 0 HA PRO A 39 9.620 0.719 23.382 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.159 2.827 24.267 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.036 2.504 22.549 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.423 4.515 24.204 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.220 4.781 22.666 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.556 4.199 22.759 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.550 3.619 21.438 1.00 0.00 H new ATOM 621 N SER A 40 10.039 0.877 25.896 1.00 0.00 N ATOM 622 CA SER A 40 10.036 0.676 27.349 1.00 0.00 C ATOM 623 C SER A 40 10.932 1.700 28.057 1.00 0.00 C ATOM 624 O SER A 40 11.738 2.397 27.432 1.00 0.00 O ATOM 625 CB SER A 40 10.522 -0.744 27.676 1.00 0.00 C ATOM 626 OG SER A 40 11.919 -0.863 27.448 1.00 0.00 O ATOM 0 H SER A 40 10.823 0.416 25.434 1.00 0.00 H new ATOM 0 HA SER A 40 9.015 0.811 27.706 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.297 -0.980 28.716 1.00 0.00 H new ATOM 0 HB3 SER A 40 9.986 -1.467 27.062 1.00 0.00 H new ATOM 0 HG SER A 40 12.131 -0.550 26.544 1.00 0.00 H new ATOM 632 N LYS A 41 10.837 1.752 29.391 1.00 0.00 N ATOM 633 CA LYS A 41 11.675 2.612 30.253 1.00 0.00 C ATOM 634 C LYS A 41 13.183 2.317 30.146 1.00 0.00 C ATOM 635 O LYS A 41 14.002 3.167 30.498 1.00 0.00 O ATOM 636 CB LYS A 41 11.183 2.535 31.712 1.00 0.00 C ATOM 637 CG LYS A 41 11.385 1.157 32.369 1.00 0.00 C ATOM 638 CD LYS A 41 10.837 1.147 33.804 1.00 0.00 C ATOM 639 CE LYS A 41 11.105 -0.187 34.513 1.00 0.00 C ATOM 640 NZ LYS A 41 10.336 -1.299 33.912 1.00 0.00 N ATOM 0 H LYS A 41 10.166 1.191 29.916 1.00 0.00 H new ATOM 0 HA LYS A 41 11.560 3.633 29.889 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.707 3.287 32.301 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.123 2.788 31.741 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.882 0.391 31.778 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.446 0.907 32.379 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.294 1.957 34.372 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.764 1.337 33.784 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.170 -0.415 34.465 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.846 -0.095 35.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.520 -2.175 34.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.320 -1.079 33.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.626 -1.426 32.921 1.00 0.00 H new ATOM 654 N SER A 42 13.542 1.128 29.656 1.00 0.00 N ATOM 655 CA SER A 42 14.924 0.660 29.469 1.00 0.00 C ATOM 656 C SER A 42 15.499 0.965 28.076 1.00 0.00 C ATOM 657 O SER A 42 16.712 0.855 27.883 1.00 0.00 O ATOM 658 CB SER A 42 14.998 -0.852 29.715 1.00 0.00 C ATOM 659 OG SER A 42 14.519 -1.174 31.014 1.00 0.00 O ATOM 0 H SER A 42 12.853 0.435 29.366 1.00 0.00 H new ATOM 0 HA SER A 42 15.528 1.208 30.192 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.408 -1.377 28.964 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.028 -1.193 29.607 1.00 0.00 H new ATOM 0 HG SER A 42 14.572 -2.143 31.152 1.00 0.00 H new ATOM 665 N CYS A 43 14.666 1.349 27.099 1.00 0.00 N ATOM 666 CA CYS A 43 15.113 1.681 25.743 1.00 0.00 C ATOM 667 C CYS A 43 15.862 3.030 25.681 1.00 0.00 C ATOM 668 O CYS A 43 15.685 3.903 26.535 1.00 0.00 O ATOM 669 CB CYS A 43 13.893 1.709 24.809 1.00 0.00 C ATOM 670 SG CYS A 43 13.208 0.042 24.580 1.00 0.00 S ATOM 0 H CYS A 43 13.658 1.438 27.230 1.00 0.00 H new ATOM 0 HA CYS A 43 15.820 0.915 25.424 1.00 0.00 H new ATOM 0 HB2 CYS A 43 13.129 2.366 25.224 1.00 0.00 H new ATOM 0 HB3 CYS A 43 14.180 2.124 23.843 1.00 0.00 H new ATOM 0 HG CYS A 43 12.178 0.101 23.789 1.00 0.00 H new ATOM 676 N GLN A 44 16.669 3.225 24.634 1.00 0.00 N ATOM 677 CA GLN A 44 17.455 4.435 24.328 1.00 0.00 C ATOM 678 C GLN A 44 16.581 5.623 23.836 1.00 0.00 C ATOM 679 O GLN A 44 16.945 6.348 22.909 1.00 0.00 O ATOM 680 CB GLN A 44 18.567 4.001 23.340 1.00 0.00 C ATOM 681 CG GLN A 44 19.630 5.044 22.941 1.00 0.00 C ATOM 682 CD GLN A 44 20.153 5.874 24.110 1.00 0.00 C ATOM 683 OE1 GLN A 44 21.133 5.536 24.756 1.00 0.00 O ATOM 684 NE2 GLN A 44 19.535 6.996 24.408 1.00 0.00 N ATOM 0 H GLN A 44 16.803 2.499 23.930 1.00 0.00 H new ATOM 0 HA GLN A 44 17.911 4.842 25.231 1.00 0.00 H new ATOM 0 HB2 GLN A 44 19.085 3.146 23.775 1.00 0.00 H new ATOM 0 HB3 GLN A 44 18.084 3.651 22.428 1.00 0.00 H new ATOM 0 HG2 GLN A 44 20.468 4.531 22.469 1.00 0.00 H new ATOM 0 HG3 GLN A 44 19.204 5.714 22.194 1.00 0.00 H new ATOM 0 HE21 GLN A 44 18.716 7.285 23.873 1.00 0.00 H new ATOM 0 HE22 GLN A 44 19.875 7.577 25.174 1.00 0.00 H new ATOM 693 N VAL A 45 15.403 5.826 24.435 1.00 0.00 N ATOM 694 CA VAL A 45 14.438 6.884 24.082 1.00 0.00 C ATOM 695 C VAL A 45 14.998 8.286 24.373 1.00 0.00 C ATOM 696 O VAL A 45 15.480 8.550 25.476 1.00 0.00 O ATOM 697 CB VAL A 45 13.099 6.700 24.839 1.00 0.00 C ATOM 698 CG1 VAL A 45 11.996 7.543 24.185 1.00 0.00 C ATOM 699 CG2 VAL A 45 12.618 5.240 24.883 1.00 0.00 C ATOM 0 H VAL A 45 15.080 5.241 25.206 1.00 0.00 H new ATOM 0 HA VAL A 45 14.258 6.796 23.011 1.00 0.00 H new ATOM 0 HB VAL A 45 13.292 7.025 25.862 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.061 7.403 24.728 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.278 8.596 24.213 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.864 7.230 23.149 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.676 5.184 25.428 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.472 4.874 23.867 1.00 0.00 H new ATOM 0 HG23 VAL A 45 13.365 4.626 25.386 1.00 0.00 H new ATOM 709 N GLU A 46 14.921 9.199 23.402 1.00 0.00 N ATOM 710 CA GLU A 46 15.372 10.595 23.523 1.00 0.00 C ATOM 711 C GLU A 46 14.603 11.515 22.553 1.00 0.00 C ATOM 712 O GLU A 46 14.362 11.153 21.402 1.00 0.00 O ATOM 713 CB GLU A 46 16.890 10.662 23.252 1.00 0.00 C ATOM 714 CG GLU A 46 17.516 12.062 23.371 1.00 0.00 C ATOM 715 CD GLU A 46 17.399 12.656 24.781 1.00 0.00 C ATOM 716 OE1 GLU A 46 16.307 13.176 25.108 1.00 0.00 O ATOM 717 OE2 GLU A 46 18.402 12.589 25.532 1.00 0.00 O ATOM 0 H GLU A 46 14.533 8.986 22.483 1.00 0.00 H new ATOM 0 HA GLU A 46 15.168 10.947 24.534 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.397 9.995 23.949 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.081 10.280 22.249 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.568 12.008 23.092 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.032 12.731 22.660 1.00 0.00 H new ATOM 724 N ASN A 47 14.237 12.721 23.008 1.00 0.00 N ATOM 725 CA ASN A 47 13.518 13.765 22.253 1.00 0.00 C ATOM 726 C ASN A 47 12.324 13.264 21.396 1.00 0.00 C ATOM 727 O ASN A 47 12.033 13.809 20.330 1.00 0.00 O ATOM 728 CB ASN A 47 14.568 14.569 21.456 1.00 0.00 C ATOM 729 CG ASN A 47 14.043 15.897 20.926 1.00 0.00 C ATOM 730 OD1 ASN A 47 13.325 16.630 21.595 1.00 0.00 O ATOM 731 ND2 ASN A 47 14.396 16.270 19.715 1.00 0.00 N ATOM 0 H ASN A 47 14.444 13.013 23.963 1.00 0.00 H new ATOM 0 HA ASN A 47 13.009 14.416 22.964 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.431 14.757 22.095 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.917 13.965 20.618 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.072 17.162 19.341 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.994 15.667 19.150 1.00 0.00 H new ATOM 738 N GLY A 48 11.629 12.208 21.838 1.00 0.00 N ATOM 739 CA GLY A 48 10.481 11.617 21.136 1.00 0.00 C ATOM 740 C GLY A 48 10.813 10.534 20.096 1.00 0.00 C ATOM 741 O GLY A 48 9.919 10.139 19.351 1.00 0.00 O ATOM 0 H GLY A 48 11.853 11.731 22.711 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.809 11.186 21.878 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.934 12.417 20.637 1.00 0.00 H new ATOM 745 N ARG A 49 12.054 10.033 20.023 1.00 0.00 N ATOM 746 CA ARG A 49 12.497 8.966 19.097 1.00 0.00 C ATOM 747 C ARG A 49 13.427 7.957 19.775 1.00 0.00 C ATOM 748 O ARG A 49 13.918 8.191 20.879 1.00 0.00 O ATOM 749 CB ARG A 49 13.105 9.549 17.802 1.00 0.00 C ATOM 750 CG ARG A 49 14.265 10.554 17.963 1.00 0.00 C ATOM 751 CD ARG A 49 13.808 12.019 18.045 1.00 0.00 C ATOM 752 NE ARG A 49 13.133 12.442 16.800 1.00 0.00 N ATOM 753 CZ ARG A 49 11.863 12.791 16.660 1.00 0.00 C ATOM 754 NH1 ARG A 49 11.065 13.039 17.663 1.00 0.00 N ATOM 755 NH2 ARG A 49 11.342 12.893 15.470 1.00 0.00 N ATOM 0 H ARG A 49 12.807 10.367 20.625 1.00 0.00 H new ATOM 0 HA ARG A 49 11.606 8.409 18.805 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.458 8.719 17.190 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.307 10.039 17.244 1.00 0.00 H new ATOM 0 HG2 ARG A 49 14.825 10.307 18.865 1.00 0.00 H new ATOM 0 HG3 ARG A 49 14.949 10.443 17.122 1.00 0.00 H new ATOM 0 HD2 ARG A 49 13.130 12.144 18.889 1.00 0.00 H new ATOM 0 HD3 ARG A 49 14.669 12.661 18.230 1.00 0.00 H new ATOM 0 HE ARG A 49 13.707 12.468 15.957 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.411 12.968 18.620 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.095 13.304 17.490 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.912 12.704 14.646 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.364 13.162 15.363 1.00 0.00 H new ATOM 769 N VAL A 50 13.667 6.826 19.111 1.00 0.00 N ATOM 770 CA VAL A 50 14.552 5.749 19.591 1.00 0.00 C ATOM 771 C VAL A 50 15.353 5.217 18.414 1.00 0.00 C ATOM 772 O VAL A 50 14.806 5.046 17.325 1.00 0.00 O ATOM 773 CB VAL A 50 13.782 4.538 20.158 1.00 0.00 C ATOM 774 CG1 VAL A 50 14.691 3.702 21.073 1.00 0.00 C ATOM 775 CG2 VAL A 50 12.510 4.885 20.912 1.00 0.00 C ATOM 0 H VAL A 50 13.246 6.623 18.205 1.00 0.00 H new ATOM 0 HA VAL A 50 15.167 6.184 20.379 1.00 0.00 H new ATOM 0 HB VAL A 50 13.475 3.969 19.280 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.131 2.852 21.464 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.548 3.341 20.504 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.040 4.319 21.901 1.00 0.00 H new ATOM 0 HG21 VAL A 50 12.039 3.970 21.272 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.753 5.526 21.759 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.824 5.408 20.246 1.00 0.00 H new ATOM 785 N ILE A 51 16.628 4.913 18.637 1.00 0.00 N ATOM 786 CA ILE A 51 17.500 4.297 17.633 1.00 0.00 C ATOM 787 C ILE A 51 17.127 2.803 17.551 1.00 0.00 C ATOM 788 O ILE A 51 17.048 2.132 18.583 1.00 0.00 O ATOM 789 CB ILE A 51 18.984 4.504 18.016 1.00 0.00 C ATOM 790 CG1 ILE A 51 19.313 5.980 18.354 1.00 0.00 C ATOM 791 CG2 ILE A 51 19.869 4.044 16.849 1.00 0.00 C ATOM 792 CD1 ILE A 51 20.734 6.198 18.880 1.00 0.00 C ATOM 0 H ILE A 51 17.093 5.088 19.528 1.00 0.00 H new ATOM 0 HA ILE A 51 17.364 4.758 16.655 1.00 0.00 H new ATOM 0 HB ILE A 51 19.178 3.915 18.912 1.00 0.00 H new ATOM 0 HG12 ILE A 51 19.171 6.587 17.460 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.602 6.338 19.099 1.00 0.00 H new ATOM 0 HG21 ILE A 51 20.918 4.186 17.110 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.685 2.989 16.647 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.633 4.630 15.961 1.00 0.00 H new ATOM 0 HD11 ILE A 51 20.885 7.256 19.093 1.00 0.00 H new ATOM 0 HD12 ILE A 51 20.877 5.620 19.793 1.00 0.00 H new ATOM 0 HD13 ILE A 51 21.454 5.873 18.129 1.00 0.00 H new ATOM 804 N ALA A 52 16.862 2.280 16.353 1.00 0.00 N ATOM 805 CA ALA A 52 16.486 0.881 16.134 1.00 0.00 C ATOM 806 C ALA A 52 17.695 -0.083 16.170 1.00 0.00 C ATOM 807 O ALA A 52 18.810 0.296 15.802 1.00 0.00 O ATOM 808 CB ALA A 52 15.743 0.786 14.797 1.00 0.00 C ATOM 0 H ALA A 52 16.903 2.826 15.492 1.00 0.00 H new ATOM 0 HA ALA A 52 15.839 0.566 16.952 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.454 -0.249 14.614 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.851 1.412 14.831 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.395 1.128 13.993 1.00 0.00 H new ATOM 814 N CYS A 53 17.471 -1.327 16.605 1.00 0.00 N ATOM 815 CA CYS A 53 18.480 -2.388 16.711 1.00 0.00 C ATOM 816 C CYS A 53 18.914 -2.895 15.316 1.00 0.00 C ATOM 817 O CYS A 53 18.124 -3.503 14.585 1.00 0.00 O ATOM 818 CB CYS A 53 17.888 -3.498 17.601 1.00 0.00 C ATOM 819 SG CYS A 53 19.073 -4.831 17.998 1.00 0.00 S ATOM 0 H CYS A 53 16.546 -1.635 16.905 1.00 0.00 H new ATOM 0 HA CYS A 53 19.394 -2.012 17.170 1.00 0.00 H new ATOM 0 HB2 CYS A 53 17.529 -3.054 18.530 1.00 0.00 H new ATOM 0 HB3 CYS A 53 17.022 -3.931 17.099 1.00 0.00 H new ATOM 0 HG CYS A 53 19.061 -5.055 19.278 1.00 0.00 H new ATOM 824 N PHE A 54 20.169 -2.636 14.930 1.00 0.00 N ATOM 825 CA PHE A 54 20.756 -3.042 13.644 1.00 0.00 C ATOM 826 C PHE A 54 20.695 -4.563 13.454 1.00 0.00 C ATOM 827 O PHE A 54 20.295 -5.049 12.396 1.00 0.00 O ATOM 828 CB PHE A 54 22.217 -2.563 13.572 1.00 0.00 C ATOM 829 CG PHE A 54 22.876 -2.571 12.206 1.00 0.00 C ATOM 830 CD1 PHE A 54 23.223 -1.348 11.609 1.00 0.00 C ATOM 831 CD2 PHE A 54 23.233 -3.778 11.572 1.00 0.00 C ATOM 832 CE1 PHE A 54 23.850 -1.325 10.351 1.00 0.00 C ATOM 833 CE2 PHE A 54 23.891 -3.756 10.329 1.00 0.00 C ATOM 834 CZ PHE A 54 24.185 -2.529 9.709 1.00 0.00 C ATOM 0 H PHE A 54 20.825 -2.123 15.520 1.00 0.00 H new ATOM 0 HA PHE A 54 20.176 -2.582 12.844 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.260 -1.547 13.963 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.812 -3.187 14.239 1.00 0.00 H new ATOM 0 HD1 PHE A 54 23.007 -0.421 12.119 1.00 0.00 H new ATOM 0 HD2 PHE A 54 23.001 -4.722 12.042 1.00 0.00 H new ATOM 0 HE1 PHE A 54 24.074 -0.381 9.877 1.00 0.00 H new ATOM 0 HE2 PHE A 54 24.171 -4.683 9.850 1.00 0.00 H new ATOM 0 HZ PHE A 54 24.667 -2.512 8.743 1.00 0.00 H new ATOM 844 N ASP A 55 21.072 -5.331 14.480 1.00 0.00 N ATOM 845 CA ASP A 55 21.049 -6.795 14.413 1.00 0.00 C ATOM 846 C ASP A 55 19.614 -7.345 14.243 1.00 0.00 C ATOM 847 O ASP A 55 19.393 -8.258 13.440 1.00 0.00 O ATOM 848 CB ASP A 55 21.777 -7.383 15.629 1.00 0.00 C ATOM 849 CG ASP A 55 23.264 -7.008 15.653 1.00 0.00 C ATOM 850 OD1 ASP A 55 23.717 -6.472 16.692 1.00 0.00 O ATOM 851 OD2 ASP A 55 23.953 -7.254 14.634 1.00 0.00 O ATOM 0 H ASP A 55 21.399 -4.960 15.372 1.00 0.00 H new ATOM 0 HA ASP A 55 21.586 -7.114 13.520 1.00 0.00 H new ATOM 0 HB2 ASP A 55 21.300 -7.028 16.542 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.678 -8.468 15.619 1.00 0.00 H new ATOM 856 N SER A 56 18.618 -6.755 14.917 1.00 0.00 N ATOM 857 CA SER A 56 17.204 -7.121 14.749 1.00 0.00 C ATOM 858 C SER A 56 16.687 -6.747 13.352 1.00 0.00 C ATOM 859 O SER A 56 15.982 -7.537 12.720 1.00 0.00 O ATOM 860 CB SER A 56 16.348 -6.452 15.826 1.00 0.00 C ATOM 861 OG SER A 56 15.010 -6.918 15.754 1.00 0.00 O ATOM 0 H SER A 56 18.770 -6.009 15.596 1.00 0.00 H new ATOM 0 HA SER A 56 17.128 -8.203 14.855 1.00 0.00 H new ATOM 0 HB2 SER A 56 16.761 -6.664 16.812 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.370 -5.370 15.697 1.00 0.00 H new ATOM 0 HG SER A 56 14.630 -6.962 16.656 1.00 0.00 H new ATOM 867 N LEU A 57 17.084 -5.583 12.815 1.00 0.00 N ATOM 868 CA LEU A 57 16.744 -5.144 11.452 1.00 0.00 C ATOM 869 C LEU A 57 17.264 -6.124 10.384 1.00 0.00 C ATOM 870 O LEU A 57 16.600 -6.332 9.366 1.00 0.00 O ATOM 871 CB LEU A 57 17.298 -3.726 11.212 1.00 0.00 C ATOM 872 CG LEU A 57 16.461 -2.616 11.869 1.00 0.00 C ATOM 873 CD1 LEU A 57 17.279 -1.329 11.940 1.00 0.00 C ATOM 874 CD2 LEU A 57 15.195 -2.343 11.055 1.00 0.00 C ATOM 0 H LEU A 57 17.659 -4.910 13.323 1.00 0.00 H new ATOM 0 HA LEU A 57 15.658 -5.127 11.362 1.00 0.00 H new ATOM 0 HB2 LEU A 57 18.318 -3.674 11.594 1.00 0.00 H new ATOM 0 HB3 LEU A 57 17.350 -3.543 10.139 1.00 0.00 H new ATOM 0 HG LEU A 57 16.184 -2.945 12.871 1.00 0.00 H new ATOM 0 HD11 LEU A 57 16.683 -0.544 12.406 1.00 0.00 H new ATOM 0 HD12 LEU A 57 18.178 -1.502 12.532 1.00 0.00 H new ATOM 0 HD13 LEU A 57 17.561 -1.021 10.933 1.00 0.00 H new ATOM 0 HD21 LEU A 57 14.616 -1.555 11.536 1.00 0.00 H new ATOM 0 HD22 LEU A 57 15.470 -2.028 10.048 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.595 -3.251 11.000 1.00 0.00 H new ATOM 886 N LYS A 58 18.414 -6.767 10.634 1.00 0.00 N ATOM 887 CA LYS A 58 19.009 -7.809 9.774 1.00 0.00 C ATOM 888 C LYS A 58 18.384 -9.204 10.002 1.00 0.00 C ATOM 889 O LYS A 58 18.754 -10.164 9.324 1.00 0.00 O ATOM 890 CB LYS A 58 20.545 -7.798 9.938 1.00 0.00 C ATOM 891 CG LYS A 58 21.251 -6.886 8.915 1.00 0.00 C ATOM 892 CD LYS A 58 20.871 -5.399 8.997 1.00 0.00 C ATOM 893 CE LYS A 58 21.616 -4.593 7.930 1.00 0.00 C ATOM 894 NZ LYS A 58 21.344 -3.147 8.068 1.00 0.00 N ATOM 0 H LYS A 58 18.975 -6.573 11.464 1.00 0.00 H new ATOM 0 HA LYS A 58 18.777 -7.573 8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 58 20.795 -7.467 10.946 1.00 0.00 H new ATOM 0 HB3 LYS A 58 20.924 -8.815 9.833 1.00 0.00 H new ATOM 0 HG2 LYS A 58 22.328 -6.978 9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 58 21.025 -7.248 7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 58 19.795 -5.285 8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 58 21.111 -5.011 9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 58 22.687 -4.774 8.015 1.00 0.00 H new ATOM 0 HE3 LYS A 58 21.314 -4.930 6.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 21.248 -2.720 7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 20.462 -3.009 8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 22.130 -2.693 8.575 1.00 0.00 H new ATOM 908 N GLY A 59 17.412 -9.317 10.914 1.00 0.00 N ATOM 909 CA GLY A 59 16.635 -10.527 11.209 1.00 0.00 C ATOM 910 C GLY A 59 17.188 -11.464 12.288 1.00 0.00 C ATOM 911 O GLY A 59 16.612 -12.537 12.491 1.00 0.00 O ATOM 0 H GLY A 59 17.132 -8.528 11.496 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.632 -10.221 11.508 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.533 -11.097 10.286 1.00 0.00 H new ATOM 915 N ARG A 60 18.268 -11.092 12.991 1.00 0.00 N ATOM 916 CA ARG A 60 18.870 -11.902 14.067 1.00 0.00 C ATOM 917 C ARG A 60 19.589 -11.014 15.082 1.00 0.00 C ATOM 918 O ARG A 60 20.778 -10.730 14.937 1.00 0.00 O ATOM 919 CB ARG A 60 19.782 -12.993 13.467 1.00 0.00 C ATOM 920 CG ARG A 60 20.152 -14.108 14.463 1.00 0.00 C ATOM 921 CD ARG A 60 21.308 -13.769 15.416 1.00 0.00 C ATOM 922 NE ARG A 60 21.827 -14.984 16.075 1.00 0.00 N ATOM 923 CZ ARG A 60 21.972 -15.207 17.372 1.00 0.00 C ATOM 924 NH1 ARG A 60 21.640 -14.349 18.301 1.00 0.00 N ATOM 925 NH2 ARG A 60 22.473 -16.342 17.779 1.00 0.00 N ATOM 0 H ARG A 60 18.755 -10.211 12.829 1.00 0.00 H new ATOM 0 HA ARG A 60 18.080 -12.414 14.616 1.00 0.00 H new ATOM 0 HB2 ARG A 60 19.283 -13.438 12.606 1.00 0.00 H new ATOM 0 HB3 ARG A 60 20.697 -12.528 13.100 1.00 0.00 H new ATOM 0 HG2 ARG A 60 19.271 -14.351 15.057 1.00 0.00 H new ATOM 0 HG3 ARG A 60 20.415 -15.004 13.901 1.00 0.00 H new ATOM 0 HD2 ARG A 60 22.110 -13.282 14.861 1.00 0.00 H new ATOM 0 HD3 ARG A 60 20.966 -13.060 16.170 1.00 0.00 H new ATOM 0 HE ARG A 60 22.108 -15.744 15.456 1.00 0.00 H new ATOM 0 HH11 ARG A 60 21.243 -13.446 18.043 1.00 0.00 H new ATOM 0 HH12 ARG A 60 21.778 -14.583 19.284 1.00 0.00 H new ATOM 0 HH21 ARG A 60 22.750 -17.050 17.099 1.00 0.00 H new ATOM 0 HH22 ARG A 60 22.587 -16.520 18.777 1.00 0.00 H new ATOM 939 N CYS A 61 18.851 -10.594 16.108 1.00 0.00 N ATOM 940 CA CYS A 61 19.367 -9.773 17.210 1.00 0.00 C ATOM 941 C CYS A 61 20.543 -10.490 17.914 1.00 0.00 C ATOM 942 O CYS A 61 20.451 -11.678 18.249 1.00 0.00 O ATOM 943 CB CYS A 61 18.217 -9.440 18.174 1.00 0.00 C ATOM 944 SG CYS A 61 18.769 -8.252 19.445 1.00 0.00 S ATOM 0 H CYS A 61 17.860 -10.817 16.202 1.00 0.00 H new ATOM 0 HA CYS A 61 19.762 -8.834 16.824 1.00 0.00 H new ATOM 0 HB2 CYS A 61 17.378 -9.022 17.618 1.00 0.00 H new ATOM 0 HB3 CYS A 61 17.860 -10.352 18.652 1.00 0.00 H new ATOM 0 HG CYS A 61 18.870 -7.068 18.918 1.00 0.00 H new ATOM 949 N SER A 62 21.663 -9.786 18.096 1.00 0.00 N ATOM 950 CA SER A 62 22.905 -10.320 18.687 1.00 0.00 C ATOM 951 C SER A 62 23.809 -9.240 19.316 1.00 0.00 C ATOM 952 O SER A 62 25.011 -9.460 19.512 1.00 0.00 O ATOM 953 CB SER A 62 23.677 -11.095 17.603 1.00 0.00 C ATOM 954 OG SER A 62 24.041 -10.244 16.523 1.00 0.00 O ATOM 0 H SER A 62 21.739 -8.804 17.832 1.00 0.00 H new ATOM 0 HA SER A 62 22.616 -10.978 19.507 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.573 -11.539 18.038 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.063 -11.916 17.232 1.00 0.00 H new ATOM 0 HG SER A 62 24.531 -10.761 15.850 1.00 0.00 H new ATOM 1013 N CYS A 66 21.874 -4.911 24.252 1.00 0.00 N ATOM 1014 CA CYS A 66 20.711 -4.467 23.489 1.00 0.00 C ATOM 1015 C CYS A 66 19.816 -3.521 24.323 1.00 0.00 C ATOM 1016 O CYS A 66 19.199 -3.915 25.322 1.00 0.00 O ATOM 1017 CB CYS A 66 19.987 -5.720 22.957 1.00 0.00 C ATOM 1018 SG CYS A 66 18.769 -5.288 21.668 1.00 0.00 S ATOM 0 HA CYS A 66 21.012 -3.864 22.633 1.00 0.00 H new ATOM 0 HB2 CYS A 66 20.718 -6.419 22.550 1.00 0.00 H new ATOM 0 HB3 CYS A 66 19.484 -6.228 23.780 1.00 0.00 H new ATOM 0 HG CYS A 66 18.678 -6.263 20.813 1.00 0.00 H new ATOM 1023 N LYS A 67 19.785 -2.251 23.899 1.00 0.00 N ATOM 1024 CA LYS A 67 19.018 -1.124 24.479 1.00 0.00 C ATOM 1025 C LYS A 67 18.224 -0.340 23.418 1.00 0.00 C ATOM 1026 O LYS A 67 17.590 0.672 23.715 1.00 0.00 O ATOM 1027 CB LYS A 67 19.970 -0.186 25.252 1.00 0.00 C ATOM 1028 CG LYS A 67 21.006 0.517 24.351 1.00 0.00 C ATOM 1029 CD LYS A 67 21.730 1.642 25.100 1.00 0.00 C ATOM 1030 CE LYS A 67 22.718 2.341 24.162 1.00 0.00 C ATOM 1031 NZ LYS A 67 23.337 3.510 24.818 1.00 0.00 N ATOM 0 H LYS A 67 20.329 -1.956 23.088 1.00 0.00 H new ATOM 0 HA LYS A 67 18.285 -1.546 25.166 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.380 0.569 25.772 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.495 -0.762 26.015 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.734 -0.212 23.995 1.00 0.00 H new ATOM 0 HG3 LYS A 67 20.508 0.926 23.472 1.00 0.00 H new ATOM 0 HD2 LYS A 67 21.006 2.362 25.481 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.259 1.235 25.962 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.493 1.639 23.857 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.202 2.659 23.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 24.161 3.822 24.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 22.645 4.284 24.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 23.642 3.249 25.777 1.00 0.00 H new ATOM 1045 N TYR A 68 18.293 -0.790 22.171 1.00 0.00 N ATOM 1046 CA TYR A 68 17.688 -0.176 20.994 1.00 0.00 C ATOM 1047 C TYR A 68 16.257 -0.705 20.743 1.00 0.00 C ATOM 1048 O TYR A 68 15.823 -1.689 21.349 1.00 0.00 O ATOM 1049 CB TYR A 68 18.673 -0.437 19.838 1.00 0.00 C ATOM 1050 CG TYR A 68 20.068 0.132 20.087 1.00 0.00 C ATOM 1051 CD1 TYR A 68 20.219 1.512 20.334 1.00 0.00 C ATOM 1052 CD2 TYR A 68 21.206 -0.706 20.105 1.00 0.00 C ATOM 1053 CE1 TYR A 68 21.491 2.056 20.598 1.00 0.00 C ATOM 1054 CE2 TYR A 68 22.479 -0.169 20.394 1.00 0.00 C ATOM 1055 CZ TYR A 68 22.623 1.214 20.636 1.00 0.00 C ATOM 1056 OH TYR A 68 23.851 1.737 20.907 1.00 0.00 O ATOM 0 H TYR A 68 18.802 -1.643 21.940 1.00 0.00 H new ATOM 0 HA TYR A 68 17.540 0.897 21.116 1.00 0.00 H new ATOM 0 HB2 TYR A 68 18.752 -1.512 19.674 1.00 0.00 H new ATOM 0 HB3 TYR A 68 18.270 -0.003 18.923 1.00 0.00 H new ATOM 0 HD1 TYR A 68 19.353 2.157 20.321 1.00 0.00 H new ATOM 0 HD2 TYR A 68 21.101 -1.761 19.897 1.00 0.00 H new ATOM 0 HE1 TYR A 68 21.600 3.116 20.771 1.00 0.00 H new ATOM 0 HE2 TYR A 68 23.343 -0.816 20.430 1.00 0.00 H new ATOM 0 HH TYR A 68 24.521 1.022 20.896 1.00 0.00 H new ATOM 1066 N LEU A 69 15.499 -0.048 19.858 1.00 0.00 N ATOM 1067 CA LEU A 69 14.103 -0.389 19.553 1.00 0.00 C ATOM 1068 C LEU A 69 14.005 -1.500 18.495 1.00 0.00 C ATOM 1069 O LEU A 69 14.683 -1.449 17.471 1.00 0.00 O ATOM 1070 CB LEU A 69 13.417 0.891 19.026 1.00 0.00 C ATOM 1071 CG LEU A 69 12.008 0.717 18.422 1.00 0.00 C ATOM 1072 CD1 LEU A 69 10.965 0.360 19.482 1.00 0.00 C ATOM 1073 CD2 LEU A 69 11.583 2.012 17.737 1.00 0.00 C ATOM 0 H LEU A 69 15.844 0.750 19.324 1.00 0.00 H new ATOM 0 HA LEU A 69 13.617 -0.760 20.455 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.351 1.605 19.847 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.061 1.336 18.267 1.00 0.00 H new ATOM 0 HG LEU A 69 12.061 -0.103 17.706 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.989 0.248 19.009 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.244 -0.576 19.966 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.918 1.154 20.228 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.588 1.888 17.311 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.567 2.821 18.467 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.290 2.253 16.943 1.00 0.00 H new ATOM 1085 N HIS A 70 13.131 -2.486 18.724 1.00 0.00 N ATOM 1086 CA HIS A 70 12.825 -3.535 17.744 1.00 0.00 C ATOM 1087 C HIS A 70 11.519 -3.138 17.015 1.00 0.00 C ATOM 1088 O HIS A 70 10.437 -3.259 17.602 1.00 0.00 O ATOM 1089 CB HIS A 70 12.653 -4.885 18.467 1.00 0.00 C ATOM 1090 CG HIS A 70 13.930 -5.557 18.914 1.00 0.00 C ATOM 1091 ND1 HIS A 70 14.076 -6.905 19.167 1.00 0.00 N ATOM 1092 CD2 HIS A 70 15.168 -4.988 19.075 1.00 0.00 C ATOM 1093 CE1 HIS A 70 15.370 -7.143 19.449 1.00 0.00 C ATOM 1094 NE2 HIS A 70 16.077 -6.002 19.404 1.00 0.00 N ATOM 0 H HIS A 70 12.613 -2.580 19.598 1.00 0.00 H new ATOM 0 HA HIS A 70 13.635 -3.638 17.022 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.021 -4.730 19.341 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.119 -5.566 17.804 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.402 -3.939 18.967 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.782 -8.114 19.679 1.00 0.00 H new ATOM 0 HE2 HIS A 70 17.077 -5.895 19.575 1.00 0.00 H new ATOM 1102 N PRO A 71 11.575 -2.661 15.755 1.00 0.00 N ATOM 1103 CA PRO A 71 10.389 -2.229 15.015 1.00 0.00 C ATOM 1104 C PRO A 71 9.636 -3.388 14.325 1.00 0.00 C ATOM 1105 O PRO A 71 10.260 -4.372 13.912 1.00 0.00 O ATOM 1106 CB PRO A 71 10.936 -1.257 13.967 1.00 0.00 C ATOM 1107 CG PRO A 71 12.312 -1.832 13.640 1.00 0.00 C ATOM 1108 CD PRO A 71 12.779 -2.413 14.970 1.00 0.00 C ATOM 0 HA PRO A 71 9.656 -1.787 15.689 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.297 -1.215 13.085 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.007 -0.242 14.358 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.254 -2.597 12.866 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.993 -1.062 13.277 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.339 -3.335 14.816 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.443 -1.719 15.486 1.00 0.00 H new ATOM 1116 N PRO A 72 8.306 -3.274 14.142 1.00 0.00 N ATOM 1117 CA PRO A 72 7.497 -4.254 13.418 1.00 0.00 C ATOM 1118 C PRO A 72 7.755 -4.168 11.898 1.00 0.00 C ATOM 1119 O PRO A 72 8.201 -3.120 11.412 1.00 0.00 O ATOM 1120 CB PRO A 72 6.047 -3.890 13.755 1.00 0.00 C ATOM 1121 CG PRO A 72 6.110 -2.375 13.935 1.00 0.00 C ATOM 1122 CD PRO A 72 7.472 -2.172 14.591 1.00 0.00 C ATOM 0 HA PRO A 72 7.737 -5.278 13.704 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.363 -4.174 12.955 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.705 -4.391 14.661 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.037 -1.851 12.982 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.299 -2.008 14.564 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.904 -1.214 14.302 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.384 -2.168 15.677 1.00 0.00 H new ATOM 1130 N PRO A 73 7.456 -5.226 11.116 1.00 0.00 N ATOM 1131 CA PRO A 73 7.666 -5.267 9.663 1.00 0.00 C ATOM 1132 C PRO A 73 7.217 -4.025 8.876 1.00 0.00 C ATOM 1133 O PRO A 73 7.935 -3.588 7.975 1.00 0.00 O ATOM 1134 CB PRO A 73 6.946 -6.531 9.183 1.00 0.00 C ATOM 1135 CG PRO A 73 7.045 -7.460 10.390 1.00 0.00 C ATOM 1136 CD PRO A 73 6.918 -6.502 11.573 1.00 0.00 C ATOM 0 HA PRO A 73 8.738 -5.280 9.469 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.910 -6.328 8.914 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.426 -6.960 8.303 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.252 -8.208 10.390 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.992 -7.999 10.407 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.878 -6.399 11.882 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.471 -6.872 12.436 1.00 0.00 H new ATOM 1144 N HIS A 74 6.066 -3.418 9.209 1.00 0.00 N ATOM 1145 CA HIS A 74 5.589 -2.215 8.503 1.00 0.00 C ATOM 1146 C HIS A 74 6.455 -0.967 8.735 1.00 0.00 C ATOM 1147 O HIS A 74 6.531 -0.124 7.843 1.00 0.00 O ATOM 1148 CB HIS A 74 4.104 -1.941 8.786 1.00 0.00 C ATOM 1149 CG HIS A 74 3.816 -1.209 10.075 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.614 -1.773 11.323 1.00 0.00 N ATOM 1151 CD2 HIS A 74 3.639 0.142 10.196 1.00 0.00 C ATOM 1152 CE1 HIS A 74 3.315 -0.779 12.183 1.00 0.00 C ATOM 1153 NE2 HIS A 74 3.336 0.391 11.518 1.00 0.00 N ATOM 0 H HIS A 74 5.451 -3.737 9.958 1.00 0.00 H new ATOM 0 HA HIS A 74 5.693 -2.442 7.442 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.695 -1.361 7.959 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.573 -2.893 8.801 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.721 0.874 9.406 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.095 -0.901 13.233 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.157 1.309 11.924 1.00 0.00 H new ATOM 1162 N LEU A 75 7.136 -0.849 9.885 1.00 0.00 N ATOM 1163 CA LEU A 75 8.065 0.258 10.172 1.00 0.00 C ATOM 1164 C LEU A 75 9.472 -0.043 9.631 1.00 0.00 C ATOM 1165 O LEU A 75 10.172 0.888 9.224 1.00 0.00 O ATOM 1166 CB LEU A 75 8.098 0.597 11.676 1.00 0.00 C ATOM 1167 CG LEU A 75 6.800 1.199 12.256 1.00 0.00 C ATOM 1168 CD1 LEU A 75 7.041 1.698 13.683 1.00 0.00 C ATOM 1169 CD2 LEU A 75 6.269 2.390 11.451 1.00 0.00 C ATOM 0 H LEU A 75 7.058 -1.522 10.647 1.00 0.00 H new ATOM 0 HA LEU A 75 7.693 1.141 9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.334 -0.312 12.229 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.913 1.299 11.854 1.00 0.00 H new ATOM 0 HG LEU A 75 6.065 0.395 12.221 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.119 2.120 14.081 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.360 0.866 14.311 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.817 2.464 13.675 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.356 2.764 11.914 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.018 3.182 11.435 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.055 2.073 10.430 1.00 0.00 H new ATOM 1181 N LYS A 76 9.868 -1.326 9.542 1.00 0.00 N ATOM 1182 CA LYS A 76 11.144 -1.731 8.916 1.00 0.00 C ATOM 1183 C LYS A 76 11.248 -1.198 7.484 1.00 0.00 C ATOM 1184 O LYS A 76 12.327 -0.788 7.072 1.00 0.00 O ATOM 1185 CB LYS A 76 11.341 -3.257 8.938 1.00 0.00 C ATOM 1186 CG LYS A 76 11.595 -3.781 10.356 1.00 0.00 C ATOM 1187 CD LYS A 76 12.054 -5.245 10.357 1.00 0.00 C ATOM 1188 CE LYS A 76 12.371 -5.694 11.787 1.00 0.00 C ATOM 1189 NZ LYS A 76 12.923 -7.064 11.812 1.00 0.00 N ATOM 0 H LYS A 76 9.318 -2.108 9.899 1.00 0.00 H new ATOM 0 HA LYS A 76 11.943 -1.289 9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.457 -3.743 8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.181 -3.524 8.297 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.352 -3.164 10.840 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.683 -3.687 10.945 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.276 -5.879 9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.937 -5.358 9.727 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.085 -5.004 12.237 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.465 -5.654 12.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.363 -7.652 12.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.884 -7.471 10.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.911 -7.034 12.136 1.00 0.00 H new ATOM 1203 N THR A 77 10.136 -1.130 6.749 1.00 0.00 N ATOM 1204 CA THR A 77 10.097 -0.558 5.394 1.00 0.00 C ATOM 1205 C THR A 77 10.563 0.905 5.367 1.00 0.00 C ATOM 1206 O THR A 77 11.402 1.263 4.540 1.00 0.00 O ATOM 1207 CB THR A 77 8.689 -0.679 4.787 1.00 0.00 C ATOM 1208 OG1 THR A 77 8.321 -2.042 4.723 1.00 0.00 O ATOM 1209 CG2 THR A 77 8.660 -0.134 3.359 1.00 0.00 C ATOM 0 H THR A 77 9.231 -1.471 7.075 1.00 0.00 H new ATOM 0 HA THR A 77 10.795 -1.136 4.788 1.00 0.00 H new ATOM 0 HB THR A 77 8.005 -0.110 5.416 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.423 -2.121 4.338 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.653 -0.231 2.953 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.949 0.917 3.365 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.357 -0.699 2.740 1.00 0.00 H new ATOM 1217 N GLN A 78 10.087 1.754 6.289 1.00 0.00 N ATOM 1218 CA GLN A 78 10.524 3.158 6.355 1.00 0.00 C ATOM 1219 C GLN A 78 11.990 3.244 6.794 1.00 0.00 C ATOM 1220 O GLN A 78 12.734 4.071 6.268 1.00 0.00 O ATOM 1221 CB GLN A 78 9.623 3.999 7.278 1.00 0.00 C ATOM 1222 CG GLN A 78 8.265 4.352 6.643 1.00 0.00 C ATOM 1223 CD GLN A 78 7.358 3.136 6.497 1.00 0.00 C ATOM 1224 OE1 GLN A 78 7.212 2.549 5.434 1.00 0.00 O ATOM 1225 NE2 GLN A 78 6.725 2.708 7.565 1.00 0.00 N ATOM 0 H GLN A 78 9.401 1.495 6.998 1.00 0.00 H new ATOM 0 HA GLN A 78 10.435 3.577 5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.452 3.452 8.205 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.143 4.920 7.543 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.765 5.103 7.255 1.00 0.00 H new ATOM 0 HG3 GLN A 78 8.431 4.798 5.662 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.842 3.192 8.455 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.117 1.891 7.504 1.00 0.00 H new ATOM 1234 N LEU A 79 12.424 2.362 7.703 1.00 0.00 N ATOM 1235 CA LEU A 79 13.819 2.270 8.141 1.00 0.00 C ATOM 1236 C LEU A 79 14.737 1.920 6.953 1.00 0.00 C ATOM 1237 O LEU A 79 15.775 2.551 6.767 1.00 0.00 O ATOM 1238 CB LEU A 79 13.909 1.233 9.284 1.00 0.00 C ATOM 1239 CG LEU A 79 15.073 1.387 10.281 1.00 0.00 C ATOM 1240 CD1 LEU A 79 16.461 1.307 9.653 1.00 0.00 C ATOM 1241 CD2 LEU A 79 14.974 2.681 11.081 1.00 0.00 C ATOM 0 H LEU A 79 11.810 1.687 8.158 1.00 0.00 H new ATOM 0 HA LEU A 79 14.163 3.232 8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 79 12.976 1.267 9.846 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.976 0.241 8.837 1.00 0.00 H new ATOM 0 HG LEU A 79 14.963 0.527 10.941 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.218 1.426 10.428 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.586 0.339 9.169 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.572 2.100 8.913 1.00 0.00 H new ATOM 0 HD21 LEU A 79 15.815 2.747 11.771 1.00 0.00 H new ATOM 0 HD22 LEU A 79 14.995 3.532 10.400 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.041 2.690 11.644 1.00 0.00 H new ATOM 1253 N GLU A 80 14.345 0.963 6.102 1.00 0.00 N ATOM 1254 CA GLU A 80 15.113 0.570 4.913 1.00 0.00 C ATOM 1255 C GLU A 80 15.220 1.719 3.898 1.00 0.00 C ATOM 1256 O GLU A 80 16.309 1.982 3.387 1.00 0.00 O ATOM 1257 CB GLU A 80 14.481 -0.672 4.264 1.00 0.00 C ATOM 1258 CG GLU A 80 14.768 -1.952 5.062 1.00 0.00 C ATOM 1259 CD GLU A 80 13.962 -3.135 4.510 1.00 0.00 C ATOM 1260 OE1 GLU A 80 14.474 -3.814 3.587 1.00 0.00 O ATOM 1261 OE2 GLU A 80 12.832 -3.365 5.004 1.00 0.00 O ATOM 0 H GLU A 80 13.480 0.436 6.220 1.00 0.00 H new ATOM 0 HA GLU A 80 16.126 0.327 5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 80 13.403 -0.530 4.184 1.00 0.00 H new ATOM 0 HB3 GLU A 80 14.864 -0.785 3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.833 -2.181 5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 80 14.518 -1.795 6.111 1.00 0.00 H new ATOM 1268 N ILE A 81 14.118 2.433 3.633 1.00 0.00 N ATOM 1269 CA ILE A 81 14.092 3.592 2.722 1.00 0.00 C ATOM 1270 C ILE A 81 14.990 4.721 3.261 1.00 0.00 C ATOM 1271 O ILE A 81 15.835 5.246 2.532 1.00 0.00 O ATOM 1272 CB ILE A 81 12.631 4.055 2.496 1.00 0.00 C ATOM 1273 CG1 ILE A 81 11.851 2.982 1.697 1.00 0.00 C ATOM 1274 CG2 ILE A 81 12.567 5.405 1.753 1.00 0.00 C ATOM 1275 CD1 ILE A 81 10.328 3.171 1.720 1.00 0.00 C ATOM 0 H ILE A 81 13.210 2.223 4.047 1.00 0.00 H new ATOM 0 HA ILE A 81 14.496 3.302 1.752 1.00 0.00 H new ATOM 0 HB ILE A 81 12.173 4.189 3.476 1.00 0.00 H new ATOM 0 HG12 ILE A 81 12.193 2.995 0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 81 12.091 1.998 2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.525 5.695 1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.081 6.167 2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.050 5.308 0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.854 2.380 1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.971 3.128 2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.075 4.140 1.289 1.00 0.00 H new ATOM 1287 N ASN A 82 14.842 5.071 4.545 1.00 0.00 N ATOM 1288 CA ASN A 82 15.642 6.093 5.227 1.00 0.00 C ATOM 1289 C ASN A 82 17.139 5.720 5.209 1.00 0.00 C ATOM 1290 O ASN A 82 17.986 6.537 4.841 1.00 0.00 O ATOM 1291 CB ASN A 82 15.067 6.254 6.651 1.00 0.00 C ATOM 1292 CG ASN A 82 15.663 7.392 7.466 1.00 0.00 C ATOM 1293 OD1 ASN A 82 16.387 8.247 6.980 1.00 0.00 O ATOM 1294 ND2 ASN A 82 15.366 7.439 8.745 1.00 0.00 N ATOM 0 H ASN A 82 14.145 4.640 5.152 1.00 0.00 H new ATOM 0 HA ASN A 82 15.582 7.053 4.715 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.991 6.408 6.576 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.219 5.321 7.194 1.00 0.00 H new ATOM 0 HD21 ASN A 82 15.740 8.188 9.328 1.00 0.00 H new ATOM 0 HD22 ASN A 82 14.762 6.727 9.155 1.00 0.00 H new ATOM 1301 N GLY A 83 17.465 4.467 5.541 1.00 0.00 N ATOM 1302 CA GLY A 83 18.823 3.926 5.511 1.00 0.00 C ATOM 1303 C GLY A 83 19.460 4.031 4.130 1.00 0.00 C ATOM 1304 O GLY A 83 20.506 4.669 3.993 1.00 0.00 O ATOM 0 H GLY A 83 16.771 3.784 5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 83 19.440 4.460 6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.802 2.881 5.820 1.00 0.00 H new