USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 568 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 454 THR OG1 : rot -69:sc= 0.416 USER MOD Set 1.2: A 476 THR OG1 : rot 180:sc= 0.384 USER MOD Set 2.1: A 466 GLN : amide:sc= 0.0222 K(o=0.043,f=-0.77) USER MOD Set 2.2: A 468 HIS : no HD1:sc= 0.0208 X(o=0.043,f=-0.32) USER MOD Set 3.1: A 422 SER OG : rot -123:sc= 0.742 USER MOD Set 3.2: A 424 HIS : no HE2:sc= 0.612 K(o=1.4,f=-0.12) USER MOD Set 4.1: A 416 THR OG1 : rot 153:sc= 1.77 USER MOD Set 4.2: A 419 TYR OH : rot 180:sc= 0.0117 USER MOD Set 5.1: A 407 THR OG1 : rot -74:sc= 1.23 USER MOD Set 5.2: A 445 THR OG1 : rot 180:sc= 1.11 USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 GLN : amide:sc= 0.0109 K(o=0.011,f=-0.88) USER MOD Single : A 406 THR OG1 : rot 180:sc= 0 USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 414 GLN : amide:sc= -0.0038 K(o=-0.0038,f=-0.95) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 423 CYS SG : rot 129:sc= -1.76! USER MOD Single : A 428 THR OG1 : rot 172:sc= 0.027 USER MOD Single : A 434 GLN : amide:sc= 0.247 K(o=0.25,f=-5.1!) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0.00122 USER MOD Single : A 441 SER OG : rot 180:sc= -0.351 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot 180:sc= 0 USER MOD Single : A 447 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 450 THR OG1 : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 70:sc= 0.946 USER MOD Single : A 456 ASN : amide:sc= -1.15 K(o=-1.1,f=-3.9!) USER MOD Single : A 463 LYS NZ :NH3+ 164:sc= 1.19 (180deg=0.949) USER MOD Single : A 465 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 469 LYS NZ :NH3+ 166:sc= -0.0215 (180deg=-0.222) USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 404 15.007 4.473 -1.285 1.00 0.30 N ATOM 121 CA SER A 404 14.461 4.240 -2.600 1.00 0.27 C ATOM 122 C SER A 404 12.977 4.589 -2.587 1.00 0.28 C ATOM 123 O SER A 404 12.380 4.729 -1.514 1.00 0.43 O ATOM 124 CB SER A 404 14.669 2.777 -2.977 1.00 0.28 C ATOM 125 OG SER A 404 14.292 2.525 -4.322 1.00 1.04 O ATOM 0 HA SER A 404 14.964 4.864 -3.338 1.00 0.27 H new ATOM 0 HB2 SER A 404 15.716 2.510 -2.836 1.00 0.28 H new ATOM 0 HB3 SER A 404 14.086 2.142 -2.310 1.00 0.28 H new ATOM 0 HG SER A 404 14.439 1.579 -4.531 1.00 1.04 H new ATOM 131 N GLN A 405 12.382 4.746 -3.759 1.00 0.26 N ATOM 132 CA GLN A 405 10.961 5.048 -3.843 1.00 0.26 C ATOM 133 C GLN A 405 10.243 4.046 -4.728 1.00 0.27 C ATOM 134 O GLN A 405 10.711 3.708 -5.818 1.00 0.43 O ATOM 135 CB GLN A 405 10.694 6.469 -4.365 1.00 0.30 C ATOM 136 CG GLN A 405 11.932 7.312 -4.627 1.00 0.33 C ATOM 137 CD GLN A 405 12.522 7.065 -6.010 1.00 0.58 C ATOM 138 OE1 GLN A 405 12.405 5.968 -6.558 1.00 0.99 O ATOM 139 NE2 GLN A 405 13.170 8.069 -6.584 1.00 0.91 N ATOM 0 H GLN A 405 12.856 4.670 -4.659 1.00 0.26 H new ATOM 0 HA GLN A 405 10.574 4.982 -2.826 1.00 0.26 H new ATOM 0 HB2 GLN A 405 10.122 6.396 -5.290 1.00 0.30 H new ATOM 0 HB3 GLN A 405 10.066 6.991 -3.643 1.00 0.30 H new ATOM 0 HG2 GLN A 405 11.677 8.367 -4.527 1.00 0.33 H new ATOM 0 HG3 GLN A 405 12.685 7.092 -3.870 1.00 0.33 H new ATOM 0 HE21 GLN A 405 13.249 8.966 -6.104 1.00 0.91 H new ATOM 0 HE22 GLN A 405 13.589 7.945 -7.506 1.00 0.91 H new ATOM 148 N THR A 406 9.111 3.574 -4.246 1.00 0.18 N ATOM 149 CA THR A 406 8.270 2.685 -5.003 1.00 0.19 C ATOM 150 C THR A 406 6.940 3.345 -5.266 1.00 0.17 C ATOM 151 O THR A 406 6.062 3.395 -4.409 1.00 0.16 O ATOM 152 CB THR A 406 8.047 1.356 -4.261 1.00 0.21 C ATOM 153 OG1 THR A 406 9.302 0.698 -4.033 1.00 0.27 O ATOM 154 CG2 THR A 406 7.128 0.448 -5.043 1.00 0.29 C ATOM 0 H THR A 406 8.753 3.799 -3.318 1.00 0.18 H new ATOM 0 HA THR A 406 8.771 2.468 -5.947 1.00 0.19 H new ATOM 0 HB THR A 406 7.579 1.579 -3.302 1.00 0.21 H new ATOM 0 HG1 THR A 406 9.148 -0.146 -3.559 1.00 0.27 H new ATOM 0 HG21 THR A 406 6.987 -0.485 -4.497 1.00 0.29 H new ATOM 0 HG22 THR A 406 6.164 0.937 -5.181 1.00 0.29 H new ATOM 0 HG23 THR A 406 7.569 0.235 -6.017 1.00 0.29 H new ATOM 162 N THR A 407 6.829 3.885 -6.446 1.00 0.19 N ATOM 163 CA THR A 407 5.587 4.411 -6.922 1.00 0.19 C ATOM 164 C THR A 407 4.689 3.252 -7.319 1.00 0.19 C ATOM 165 O THR A 407 4.958 2.549 -8.292 1.00 0.26 O ATOM 166 CB THR A 407 5.847 5.329 -8.109 1.00 0.24 C ATOM 167 OG1 THR A 407 6.581 6.482 -7.676 1.00 0.26 O ATOM 168 CG2 THR A 407 4.552 5.754 -8.795 1.00 0.24 C ATOM 0 H THR A 407 7.602 3.972 -7.106 1.00 0.19 H new ATOM 0 HA THR A 407 5.094 4.992 -6.143 1.00 0.19 H new ATOM 0 HB THR A 407 6.434 4.774 -8.840 1.00 0.24 H new ATOM 0 HG1 THR A 407 5.985 7.083 -7.182 1.00 0.26 H new ATOM 0 HG21 THR A 407 4.783 6.408 -9.636 1.00 0.24 H new ATOM 0 HG22 THR A 407 4.025 4.871 -9.156 1.00 0.24 H new ATOM 0 HG23 THR A 407 3.921 6.287 -8.084 1.00 0.24 H new ATOM 176 N ILE A 408 3.643 3.048 -6.549 1.00 0.21 N ATOM 177 CA ILE A 408 2.785 1.890 -6.731 1.00 0.21 C ATOM 178 C ILE A 408 1.355 2.327 -6.921 1.00 0.18 C ATOM 179 O ILE A 408 0.855 3.211 -6.224 1.00 0.16 O ATOM 180 CB ILE A 408 2.910 0.837 -5.575 1.00 0.23 C ATOM 181 CG1 ILE A 408 1.646 -0.020 -5.435 1.00 0.21 C ATOM 182 CG2 ILE A 408 3.206 1.487 -4.236 1.00 0.25 C ATOM 183 CD1 ILE A 408 1.911 -1.424 -4.943 1.00 0.27 C ATOM 0 H ILE A 408 3.363 3.668 -5.789 1.00 0.21 H new ATOM 0 HA ILE A 408 3.126 1.381 -7.632 1.00 0.21 H new ATOM 0 HB ILE A 408 3.748 0.198 -5.855 1.00 0.23 H new ATOM 0 HG12 ILE A 408 0.959 0.472 -4.747 1.00 0.21 H new ATOM 0 HG13 ILE A 408 1.145 -0.072 -6.402 1.00 0.21 H new ATOM 0 HG21 ILE A 408 3.284 0.718 -3.467 1.00 0.25 H new ATOM 0 HG22 ILE A 408 4.146 2.035 -4.297 1.00 0.25 H new ATOM 0 HG23 ILE A 408 2.401 2.176 -3.980 1.00 0.25 H new ATOM 0 HD11 ILE A 408 0.969 -1.968 -4.870 1.00 0.27 H new ATOM 0 HD12 ILE A 408 2.572 -1.936 -5.642 1.00 0.27 H new ATOM 0 HD13 ILE A 408 2.383 -1.383 -3.961 1.00 0.27 H new ATOM 195 N SER A 409 0.724 1.733 -7.908 1.00 0.18 N ATOM 196 CA SER A 409 -0.643 2.044 -8.234 1.00 0.16 C ATOM 197 C SER A 409 -1.536 0.849 -7.957 1.00 0.13 C ATOM 198 O SER A 409 -1.076 -0.293 -7.900 1.00 0.15 O ATOM 199 CB SER A 409 -0.752 2.464 -9.698 1.00 0.21 C ATOM 200 OG SER A 409 -0.141 1.507 -10.549 1.00 0.71 O ATOM 0 H SER A 409 1.146 1.022 -8.505 1.00 0.18 H new ATOM 0 HA SER A 409 -0.973 2.873 -7.608 1.00 0.16 H new ATOM 0 HB2 SER A 409 -1.801 2.580 -9.970 1.00 0.21 H new ATOM 0 HB3 SER A 409 -0.278 3.435 -9.838 1.00 0.21 H new ATOM 0 HG SER A 409 -0.225 1.797 -11.481 1.00 0.71 H new ATOM 206 N TRP A 410 -2.801 1.129 -7.767 1.00 0.16 N ATOM 207 CA TRP A 410 -3.791 0.106 -7.529 1.00 0.17 C ATOM 208 C TRP A 410 -5.088 0.566 -8.095 1.00 0.18 C ATOM 209 O TRP A 410 -5.255 1.739 -8.439 1.00 0.19 O ATOM 210 CB TRP A 410 -3.928 -0.184 -6.028 1.00 0.16 C ATOM 211 CG TRP A 410 -4.273 1.042 -5.216 1.00 0.14 C ATOM 212 CD1 TRP A 410 -5.515 1.524 -4.872 1.00 0.14 C ATOM 213 CD2 TRP A 410 -3.327 1.957 -4.662 1.00 0.13 C ATOM 214 NE1 TRP A 410 -5.379 2.674 -4.127 1.00 0.13 N ATOM 215 CE2 TRP A 410 -4.045 2.958 -3.988 1.00 0.12 C ATOM 216 CE3 TRP A 410 -1.935 2.016 -4.672 1.00 0.14 C ATOM 217 CZ2 TRP A 410 -3.412 4.013 -3.330 1.00 0.14 C ATOM 218 CZ3 TRP A 410 -1.307 3.054 -4.025 1.00 0.15 C ATOM 219 CH2 TRP A 410 -2.042 4.043 -3.361 1.00 0.14 C ATOM 0 H TRP A 410 -3.176 2.078 -7.773 1.00 0.16 H new ATOM 0 HA TRP A 410 -3.483 -0.821 -8.013 1.00 0.17 H new ATOM 0 HB2 TRP A 410 -4.699 -0.940 -5.879 1.00 0.16 H new ATOM 0 HB3 TRP A 410 -2.993 -0.606 -5.659 1.00 0.16 H new ATOM 0 HD1 TRP A 410 -6.455 1.069 -5.145 1.00 0.14 H new ATOM 0 HE1 TRP A 410 -6.146 3.225 -3.741 1.00 0.13 H new ATOM 0 HE3 TRP A 410 -1.358 1.258 -5.180 1.00 0.14 H new ATOM 0 HZ2 TRP A 410 -3.979 4.776 -2.817 1.00 0.14 H new ATOM 0 HZ3 TRP A 410 -0.228 3.107 -4.029 1.00 0.15 H new ATOM 0 HH2 TRP A 410 -1.519 4.846 -2.863 1.00 0.14 H new ATOM 230 N ALA A 411 -5.991 -0.358 -8.221 1.00 0.19 N ATOM 231 CA ALA A 411 -7.230 -0.064 -8.822 1.00 0.22 C ATOM 232 C ALA A 411 -8.201 0.467 -7.804 1.00 0.19 C ATOM 233 O ALA A 411 -8.330 -0.063 -6.697 1.00 0.19 O ATOM 234 CB ALA A 411 -7.767 -1.277 -9.513 1.00 0.26 C ATOM 0 H ALA A 411 -5.880 -1.323 -7.910 1.00 0.19 H new ATOM 0 HA ALA A 411 -7.084 0.714 -9.571 1.00 0.22 H new ATOM 0 HB1 ALA A 411 -8.725 -1.039 -9.974 1.00 0.26 H new ATOM 0 HB2 ALA A 411 -7.064 -1.599 -10.282 1.00 0.26 H new ATOM 0 HB3 ALA A 411 -7.903 -2.079 -8.787 1.00 0.26 H new ATOM 240 N PRO A 412 -8.884 1.531 -8.198 1.00 0.20 N ATOM 241 CA PRO A 412 -9.814 2.250 -7.355 1.00 0.19 C ATOM 242 C PRO A 412 -10.795 1.317 -6.691 1.00 0.20 C ATOM 243 O PRO A 412 -11.506 0.564 -7.359 1.00 0.23 O ATOM 244 CB PRO A 412 -10.579 3.147 -8.307 1.00 0.24 C ATOM 245 CG PRO A 412 -9.836 3.156 -9.605 1.00 0.26 C ATOM 246 CD PRO A 412 -8.783 2.087 -9.543 1.00 0.23 C ATOM 0 HA PRO A 412 -9.289 2.787 -6.565 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -11.595 2.779 -8.449 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -10.659 4.156 -7.903 1.00 0.24 H new ATOM 0 HG2 PRO A 412 -10.517 2.972 -10.436 1.00 0.26 H new ATOM 0 HG3 PRO A 412 -9.380 4.131 -9.777 1.00 0.26 H new ATOM 0 HD2 PRO A 412 -8.954 1.321 -10.300 1.00 0.23 H new ATOM 0 HD3 PRO A 412 -7.791 2.500 -9.725 1.00 0.23 H new ATOM 254 N PHE A 413 -10.830 1.364 -5.382 1.00 0.21 N ATOM 255 CA PHE A 413 -11.707 0.506 -4.637 1.00 0.30 C ATOM 256 C PHE A 413 -13.103 1.115 -4.541 1.00 0.51 C ATOM 257 O PHE A 413 -13.978 0.729 -5.314 1.00 1.35 O ATOM 258 CB PHE A 413 -11.106 0.201 -3.260 1.00 0.30 C ATOM 259 CG PHE A 413 -12.012 -0.555 -2.335 1.00 0.37 C ATOM 260 CD1 PHE A 413 -12.354 -0.014 -1.110 1.00 0.36 C ATOM 261 CD2 PHE A 413 -12.519 -1.795 -2.685 1.00 0.51 C ATOM 262 CE1 PHE A 413 -13.189 -0.693 -0.245 1.00 0.45 C ATOM 263 CE2 PHE A 413 -13.354 -2.483 -1.827 1.00 0.61 C ATOM 264 CZ PHE A 413 -13.689 -1.932 -0.603 1.00 0.57 C ATOM 0 H PHE A 413 -10.259 1.989 -4.813 1.00 0.21 H new ATOM 0 HA PHE A 413 -11.812 -0.443 -5.163 1.00 0.30 H new ATOM 0 HB2 PHE A 413 -10.189 -0.372 -3.398 1.00 0.30 H new ATOM 0 HB3 PHE A 413 -10.826 1.141 -2.785 1.00 0.30 H new ATOM 0 HD1 PHE A 413 -11.963 0.952 -0.826 1.00 0.36 H new ATOM 0 HD2 PHE A 413 -12.259 -2.229 -3.639 1.00 0.51 H new ATOM 0 HE1 PHE A 413 -13.451 -0.258 0.708 1.00 0.45 H new ATOM 0 HE2 PHE A 413 -13.745 -3.449 -2.111 1.00 0.61 H new ATOM 0 HZ PHE A 413 -14.340 -2.468 0.072 1.00 0.57 H new ATOM 274 N GLN A 414 -13.295 2.074 -3.625 1.00 0.54 N ATOM 275 CA GLN A 414 -14.594 2.787 -3.495 1.00 0.53 C ATOM 276 C GLN A 414 -14.665 3.583 -2.232 1.00 0.44 C ATOM 277 O GLN A 414 -14.716 3.060 -1.120 1.00 0.48 O ATOM 278 CB GLN A 414 -15.830 1.863 -3.605 1.00 0.71 C ATOM 279 CG GLN A 414 -17.127 2.480 -3.114 1.00 1.28 C ATOM 280 CD GLN A 414 -18.309 1.556 -3.335 1.00 1.51 C ATOM 281 OE1 GLN A 414 -18.328 0.774 -4.286 1.00 2.11 O ATOM 282 NE2 GLN A 414 -19.295 1.624 -2.457 1.00 1.89 N ATOM 0 H GLN A 414 -12.581 2.379 -2.964 1.00 0.54 H new ATOM 0 HA GLN A 414 -14.627 3.464 -4.349 1.00 0.53 H new ATOM 0 HB2 GLN A 414 -15.955 1.568 -4.647 1.00 0.71 H new ATOM 0 HB3 GLN A 414 -15.638 0.953 -3.037 1.00 0.71 H new ATOM 0 HG2 GLN A 414 -17.040 2.712 -2.052 1.00 1.28 H new ATOM 0 HG3 GLN A 414 -17.300 3.423 -3.633 1.00 1.28 H new ATOM 0 HE21 GLN A 414 -19.243 2.285 -1.682 1.00 1.89 H new ATOM 0 HE22 GLN A 414 -20.108 1.015 -2.555 1.00 1.89 H new ATOM 291 N ASP A 415 -14.656 4.867 -2.482 1.00 0.39 N ATOM 292 CA ASP A 415 -14.802 5.914 -1.499 1.00 0.34 C ATOM 293 C ASP A 415 -14.074 5.638 -0.207 1.00 0.31 C ATOM 294 O ASP A 415 -14.615 5.837 0.881 1.00 0.35 O ATOM 295 CB ASP A 415 -16.264 6.192 -1.187 1.00 0.40 C ATOM 296 CG ASP A 415 -16.934 7.047 -2.237 1.00 0.45 C ATOM 297 OD1 ASP A 415 -17.890 6.568 -2.881 1.00 0.58 O ATOM 298 OD2 ASP A 415 -16.506 8.204 -2.431 1.00 0.59 O ATOM 0 H ASP A 415 -14.540 5.232 -3.428 1.00 0.39 H new ATOM 0 HA ASP A 415 -14.346 6.790 -1.959 1.00 0.34 H new ATOM 0 HB2 ASP A 415 -16.798 5.246 -1.100 1.00 0.40 H new ATOM 0 HB3 ASP A 415 -16.336 6.689 -0.220 1.00 0.40 H new ATOM 303 N THR A 416 -12.850 5.226 -0.330 1.00 0.27 N ATOM 304 CA THR A 416 -12.046 4.898 0.812 1.00 0.23 C ATOM 305 C THR A 416 -11.707 6.164 1.590 1.00 0.24 C ATOM 306 O THR A 416 -11.542 7.233 1.012 1.00 0.25 O ATOM 307 CB THR A 416 -10.770 4.204 0.332 1.00 0.19 C ATOM 308 OG1 THR A 416 -11.119 3.103 -0.515 1.00 0.22 O ATOM 309 CG2 THR A 416 -9.938 3.713 1.497 1.00 0.22 C ATOM 0 H THR A 416 -12.377 5.107 -1.226 1.00 0.27 H new ATOM 0 HA THR A 416 -12.594 4.228 1.475 1.00 0.23 H new ATOM 0 HB THR A 416 -10.173 4.927 -0.224 1.00 0.19 H new ATOM 0 HG1 THR A 416 -10.391 2.934 -1.149 1.00 0.22 H new ATOM 0 HG21 THR A 416 -9.039 3.225 1.122 1.00 0.22 H new ATOM 0 HG22 THR A 416 -9.657 4.558 2.125 1.00 0.22 H new ATOM 0 HG23 THR A 416 -10.519 3.002 2.085 1.00 0.22 H new ATOM 317 N SER A 417 -11.709 6.059 2.907 1.00 0.25 N ATOM 318 CA SER A 417 -11.334 7.174 3.751 1.00 0.28 C ATOM 319 C SER A 417 -9.821 7.358 3.716 1.00 0.27 C ATOM 320 O SER A 417 -9.318 8.479 3.795 1.00 0.33 O ATOM 321 CB SER A 417 -11.824 6.947 5.183 1.00 0.32 C ATOM 322 OG SER A 417 -11.658 8.107 5.980 1.00 1.14 O ATOM 0 H SER A 417 -11.967 5.212 3.413 1.00 0.25 H new ATOM 0 HA SER A 417 -11.805 8.083 3.375 1.00 0.28 H new ATOM 0 HB2 SER A 417 -12.876 6.663 5.168 1.00 0.32 H new ATOM 0 HB3 SER A 417 -11.276 6.117 5.629 1.00 0.32 H new ATOM 0 HG SER A 417 -11.982 7.929 6.888 1.00 1.14 H new ATOM 328 N GLU A 418 -9.096 6.248 3.592 1.00 0.23 N ATOM 329 CA GLU A 418 -7.653 6.285 3.483 1.00 0.25 C ATOM 330 C GLU A 418 -7.099 4.952 3.010 1.00 0.19 C ATOM 331 O GLU A 418 -7.557 3.900 3.426 1.00 0.28 O ATOM 332 CB GLU A 418 -7.072 6.651 4.836 1.00 0.36 C ATOM 333 CG GLU A 418 -5.576 6.589 4.916 1.00 0.84 C ATOM 334 CD GLU A 418 -5.015 7.667 5.816 1.00 0.86 C ATOM 335 OE1 GLU A 418 -4.773 7.393 7.009 1.00 1.31 O ATOM 336 OE2 GLU A 418 -4.832 8.805 5.337 1.00 1.37 O ATOM 0 H GLU A 418 -9.495 5.310 3.565 1.00 0.23 H new ATOM 0 HA GLU A 418 -7.371 7.033 2.742 1.00 0.25 H new ATOM 0 HB2 GLU A 418 -7.394 7.660 5.093 1.00 0.36 H new ATOM 0 HB3 GLU A 418 -7.490 5.982 5.588 1.00 0.36 H new ATOM 0 HG2 GLU A 418 -5.272 5.611 5.288 1.00 0.84 H new ATOM 0 HG3 GLU A 418 -5.154 6.694 3.916 1.00 0.84 H new ATOM 343 N TYR A 419 -6.114 5.002 2.144 1.00 0.17 N ATOM 344 CA TYR A 419 -5.443 3.779 1.706 1.00 0.16 C ATOM 345 C TYR A 419 -4.139 3.642 2.461 1.00 0.19 C ATOM 346 O TYR A 419 -3.189 4.389 2.219 1.00 0.29 O ATOM 347 CB TYR A 419 -5.160 3.750 0.191 1.00 0.16 C ATOM 348 CG TYR A 419 -6.412 3.778 -0.703 1.00 0.14 C ATOM 349 CD1 TYR A 419 -7.214 2.647 -0.868 1.00 0.12 C ATOM 350 CD2 TYR A 419 -6.800 4.939 -1.391 1.00 0.17 C ATOM 351 CE1 TYR A 419 -8.333 2.676 -1.673 1.00 0.12 C ATOM 352 CE2 TYR A 419 -7.926 4.955 -2.195 1.00 0.18 C ATOM 353 CZ TYR A 419 -8.685 3.834 -2.323 1.00 0.14 C ATOM 354 OH TYR A 419 -9.793 3.841 -3.141 1.00 0.19 O ATOM 0 H TYR A 419 -5.755 5.861 1.727 1.00 0.17 H new ATOM 0 HA TYR A 419 -6.114 2.947 1.917 1.00 0.16 H new ATOM 0 HB2 TYR A 419 -4.531 4.603 -0.063 1.00 0.16 H new ATOM 0 HB3 TYR A 419 -4.587 2.852 -0.040 1.00 0.16 H new ATOM 0 HD1 TYR A 419 -6.953 1.733 -0.356 1.00 0.12 H new ATOM 0 HD2 TYR A 419 -6.208 5.837 -1.291 1.00 0.17 H new ATOM 0 HE1 TYR A 419 -8.934 1.787 -1.793 1.00 0.12 H new ATOM 0 HE2 TYR A 419 -8.202 5.857 -2.721 1.00 0.18 H new ATOM 0 HH TYR A 419 -9.909 4.734 -3.527 1.00 0.19 H new ATOM 364 N ILE A 420 -4.105 2.714 3.399 1.00 0.18 N ATOM 365 CA ILE A 420 -2.901 2.459 4.151 1.00 0.18 C ATOM 366 C ILE A 420 -2.123 1.334 3.503 1.00 0.17 C ATOM 367 O ILE A 420 -2.626 0.224 3.329 1.00 0.21 O ATOM 368 CB ILE A 420 -3.196 2.132 5.626 1.00 0.22 C ATOM 369 CG1 ILE A 420 -3.675 3.394 6.336 1.00 0.32 C ATOM 370 CG2 ILE A 420 -1.947 1.579 6.318 1.00 0.26 C ATOM 371 CD1 ILE A 420 -4.723 3.145 7.386 1.00 0.32 C ATOM 0 H ILE A 420 -4.899 2.127 3.655 1.00 0.18 H new ATOM 0 HA ILE A 420 -2.302 3.370 4.141 1.00 0.18 H new ATOM 0 HB ILE A 420 -3.974 1.370 5.672 1.00 0.22 H new ATOM 0 HG12 ILE A 420 -2.819 3.884 6.800 1.00 0.32 H new ATOM 0 HG13 ILE A 420 -4.075 4.086 5.595 1.00 0.32 H new ATOM 0 HG21 ILE A 420 -2.177 1.354 7.359 1.00 0.26 H new ATOM 0 HG22 ILE A 420 -1.624 0.668 5.813 1.00 0.26 H new ATOM 0 HG23 ILE A 420 -1.149 2.320 6.275 1.00 0.26 H new ATOM 0 HD11 ILE A 420 -5.011 4.091 7.844 1.00 0.32 H new ATOM 0 HD12 ILE A 420 -5.597 2.684 6.926 1.00 0.32 H new ATOM 0 HD13 ILE A 420 -4.322 2.479 8.150 1.00 0.32 H new ATOM 383 N ILE A 421 -0.901 1.634 3.138 1.00 0.15 N ATOM 384 CA ILE A 421 -0.056 0.678 2.460 1.00 0.18 C ATOM 385 C ILE A 421 0.968 0.154 3.443 1.00 0.19 C ATOM 386 O ILE A 421 1.767 0.913 3.993 1.00 0.30 O ATOM 387 CB ILE A 421 0.650 1.298 1.241 1.00 0.19 C ATOM 388 CG1 ILE A 421 -0.388 1.811 0.239 1.00 0.20 C ATOM 389 CG2 ILE A 421 1.551 0.260 0.591 1.00 0.24 C ATOM 390 CD1 ILE A 421 0.110 2.912 -0.661 1.00 0.32 C ATOM 0 H ILE A 421 -0.465 2.542 3.300 1.00 0.15 H new ATOM 0 HA ILE A 421 -0.680 -0.136 2.090 1.00 0.18 H new ATOM 0 HB ILE A 421 1.261 2.140 1.566 1.00 0.19 H new ATOM 0 HG12 ILE A 421 -0.723 0.977 -0.378 1.00 0.20 H new ATOM 0 HG13 ILE A 421 -1.258 2.172 0.788 1.00 0.20 H new ATOM 0 HG21 ILE A 421 2.050 0.701 -0.272 1.00 0.24 H new ATOM 0 HG22 ILE A 421 2.298 -0.075 1.310 1.00 0.24 H new ATOM 0 HG23 ILE A 421 0.951 -0.591 0.268 1.00 0.24 H new ATOM 0 HD11 ILE A 421 -0.687 3.216 -1.339 1.00 0.32 H new ATOM 0 HD12 ILE A 421 0.418 3.765 -0.056 1.00 0.32 H new ATOM 0 HD13 ILE A 421 0.961 2.552 -1.240 1.00 0.32 H new ATOM 402 N SER A 422 0.923 -1.136 3.669 1.00 0.14 N ATOM 403 CA SER A 422 1.743 -1.763 4.685 1.00 0.14 C ATOM 404 C SER A 422 2.876 -2.527 4.033 1.00 0.16 C ATOM 405 O SER A 422 2.694 -3.632 3.521 1.00 0.36 O ATOM 406 CB SER A 422 0.919 -2.718 5.540 1.00 0.18 C ATOM 407 OG SER A 422 1.361 -2.720 6.888 1.00 0.88 O ATOM 0 H SER A 422 0.321 -1.782 3.158 1.00 0.14 H new ATOM 0 HA SER A 422 2.146 -0.979 5.326 1.00 0.14 H new ATOM 0 HB2 SER A 422 -0.131 -2.430 5.501 1.00 0.18 H new ATOM 0 HB3 SER A 422 0.988 -3.726 5.131 1.00 0.18 H new ATOM 0 HG SER A 422 1.603 -3.632 7.152 1.00 0.88 H new ATOM 413 N CYS A 423 4.032 -1.919 4.044 1.00 0.14 N ATOM 414 CA CYS A 423 5.237 -2.530 3.521 1.00 0.12 C ATOM 415 C CYS A 423 5.881 -3.416 4.581 1.00 0.12 C ATOM 416 O CYS A 423 6.575 -2.928 5.473 1.00 0.13 O ATOM 417 CB CYS A 423 6.213 -1.448 3.070 1.00 0.14 C ATOM 418 SG CYS A 423 5.580 -0.382 1.756 1.00 0.95 S ATOM 0 H CYS A 423 4.171 -0.980 4.417 1.00 0.14 H new ATOM 0 HA CYS A 423 4.977 -3.150 2.663 1.00 0.12 H new ATOM 0 HB2 CYS A 423 6.476 -0.830 3.929 1.00 0.14 H new ATOM 0 HB3 CYS A 423 7.132 -1.923 2.726 1.00 0.14 H new ATOM 0 HG CYS A 423 5.740 0.863 2.092 1.00 0.95 H new ATOM 424 N HIS A 424 5.638 -4.717 4.488 1.00 0.13 N ATOM 425 CA HIS A 424 6.174 -5.673 5.456 1.00 0.15 C ATOM 426 C HIS A 424 7.487 -6.255 4.954 1.00 0.15 C ATOM 427 O HIS A 424 7.517 -7.023 3.996 1.00 0.16 O ATOM 428 CB HIS A 424 5.181 -6.807 5.716 1.00 0.18 C ATOM 429 CG HIS A 424 3.973 -6.417 6.515 1.00 0.19 C ATOM 430 ND1 HIS A 424 3.806 -6.746 7.844 1.00 0.24 N ATOM 431 CD2 HIS A 424 2.856 -5.740 6.157 1.00 0.24 C ATOM 432 CE1 HIS A 424 2.643 -6.288 8.268 1.00 0.25 C ATOM 433 NE2 HIS A 424 2.047 -5.673 7.263 1.00 0.25 N ATOM 0 H HIS A 424 5.072 -5.138 3.751 1.00 0.13 H new ATOM 0 HA HIS A 424 6.348 -5.139 6.390 1.00 0.15 H new ATOM 0 HB2 HIS A 424 4.851 -7.208 4.758 1.00 0.18 H new ATOM 0 HB3 HIS A 424 5.699 -7.612 6.237 1.00 0.18 H new ATOM 0 HD1 HIS A 424 4.477 -7.263 8.411 1.00 0.24 H new ATOM 0 HD2 HIS A 424 2.642 -5.329 5.182 1.00 0.24 H new ATOM 0 HE1 HIS A 424 2.247 -6.398 9.267 1.00 0.25 H new ATOM 442 N PRO A 425 8.583 -5.889 5.609 1.00 0.17 N ATOM 443 CA PRO A 425 9.927 -6.318 5.229 1.00 0.17 C ATOM 444 C PRO A 425 10.130 -7.809 5.350 1.00 0.18 C ATOM 445 O PRO A 425 9.745 -8.448 6.330 1.00 0.24 O ATOM 446 CB PRO A 425 10.857 -5.588 6.198 1.00 0.21 C ATOM 447 CG PRO A 425 10.010 -4.599 6.924 1.00 0.32 C ATOM 448 CD PRO A 425 8.585 -5.029 6.785 1.00 0.22 C ATOM 0 HA PRO A 425 10.117 -6.085 4.181 1.00 0.17 H new ATOM 0 HB2 PRO A 425 11.321 -6.287 6.893 1.00 0.21 H new ATOM 0 HB3 PRO A 425 11.664 -5.089 5.661 1.00 0.21 H new ATOM 0 HG2 PRO A 425 10.294 -4.552 7.975 1.00 0.32 H new ATOM 0 HG3 PRO A 425 10.150 -3.600 6.511 1.00 0.32 H new ATOM 0 HD2 PRO A 425 8.243 -5.565 7.670 1.00 0.22 H new ATOM 0 HD3 PRO A 425 7.922 -4.174 6.654 1.00 0.22 H new ATOM 456 N VAL A 426 10.726 -8.333 4.315 1.00 0.15 N ATOM 457 CA VAL A 426 11.098 -9.723 4.236 1.00 0.19 C ATOM 458 C VAL A 426 12.617 -9.838 4.358 1.00 0.20 C ATOM 459 O VAL A 426 13.351 -9.071 3.733 1.00 0.20 O ATOM 460 CB VAL A 426 10.686 -10.311 2.885 1.00 0.20 C ATOM 461 CG1 VAL A 426 10.839 -11.822 2.856 1.00 0.27 C ATOM 462 CG2 VAL A 426 9.283 -9.895 2.487 1.00 0.21 C ATOM 0 H VAL A 426 10.973 -7.796 3.484 1.00 0.15 H new ATOM 0 HA VAL A 426 10.598 -10.265 5.039 1.00 0.19 H new ATOM 0 HB VAL A 426 11.370 -9.897 2.144 1.00 0.20 H new ATOM 0 HG11 VAL A 426 10.536 -12.200 1.879 1.00 0.27 H new ATOM 0 HG12 VAL A 426 11.880 -12.086 3.040 1.00 0.27 H new ATOM 0 HG13 VAL A 426 10.210 -12.266 3.628 1.00 0.27 H new ATOM 0 HG21 VAL A 426 9.033 -10.335 1.522 1.00 0.21 H new ATOM 0 HG22 VAL A 426 8.574 -10.241 3.239 1.00 0.21 H new ATOM 0 HG23 VAL A 426 9.233 -8.809 2.414 1.00 0.21 H new ATOM 472 N GLY A 427 13.083 -10.769 5.166 1.00 0.26 N ATOM 473 CA GLY A 427 14.520 -10.961 5.334 1.00 0.29 C ATOM 474 C GLY A 427 15.033 -10.267 6.574 1.00 0.32 C ATOM 475 O GLY A 427 15.860 -10.808 7.309 1.00 0.38 O ATOM 0 H GLY A 427 12.500 -11.401 5.714 1.00 0.26 H new ATOM 0 HA2 GLY A 427 14.740 -12.027 5.395 1.00 0.29 H new ATOM 0 HA3 GLY A 427 15.044 -10.577 4.459 1.00 0.29 H new ATOM 479 N THR A 428 14.537 -9.070 6.804 1.00 0.31 N ATOM 480 CA THR A 428 14.832 -8.327 8.009 1.00 0.37 C ATOM 481 C THR A 428 13.699 -8.455 8.998 1.00 0.41 C ATOM 482 O THR A 428 12.645 -9.019 8.692 1.00 0.41 O ATOM 483 CB THR A 428 15.007 -6.838 7.716 1.00 0.37 C ATOM 484 OG1 THR A 428 14.027 -6.408 6.759 1.00 0.30 O ATOM 485 CG2 THR A 428 16.402 -6.529 7.204 1.00 0.42 C ATOM 0 H THR A 428 13.916 -8.584 6.158 1.00 0.31 H new ATOM 0 HA THR A 428 15.755 -8.740 8.415 1.00 0.37 H new ATOM 0 HB THR A 428 14.867 -6.295 8.651 1.00 0.37 H new ATOM 0 HG1 THR A 428 14.062 -5.433 6.670 1.00 0.30 H new ATOM 0 HG21 THR A 428 16.489 -5.461 7.007 1.00 0.42 H new ATOM 0 HG22 THR A 428 17.138 -6.820 7.954 1.00 0.42 H new ATOM 0 HG23 THR A 428 16.583 -7.084 6.283 1.00 0.42 H new ATOM 493 N ASP A 429 13.912 -7.923 10.184 1.00 0.48 N ATOM 494 CA ASP A 429 12.838 -7.805 11.138 1.00 0.54 C ATOM 495 C ASP A 429 12.440 -6.347 11.295 1.00 0.49 C ATOM 496 O ASP A 429 12.099 -5.896 12.387 1.00 0.59 O ATOM 497 CB ASP A 429 13.228 -8.377 12.490 1.00 0.69 C ATOM 498 CG ASP A 429 12.023 -8.845 13.288 1.00 1.09 C ATOM 499 OD1 ASP A 429 11.536 -9.968 13.044 1.00 1.06 O ATOM 500 OD2 ASP A 429 11.558 -8.088 14.171 1.00 1.78 O ATOM 0 H ASP A 429 14.813 -7.569 10.505 1.00 0.48 H new ATOM 0 HA ASP A 429 11.992 -8.378 10.759 1.00 0.54 H new ATOM 0 HB2 ASP A 429 13.912 -9.213 12.344 1.00 0.69 H new ATOM 0 HB3 ASP A 429 13.767 -7.620 13.060 1.00 0.69 H new ATOM 505 N GLU A 430 12.505 -5.606 10.203 1.00 0.40 N ATOM 506 CA GLU A 430 12.082 -4.225 10.214 1.00 0.38 C ATOM 507 C GLU A 430 10.584 -4.154 10.333 1.00 0.31 C ATOM 508 O GLU A 430 9.873 -5.102 9.998 1.00 0.33 O ATOM 509 CB GLU A 430 12.540 -3.486 8.952 1.00 0.38 C ATOM 510 CG GLU A 430 14.047 -3.354 8.784 1.00 0.48 C ATOM 511 CD GLU A 430 14.415 -2.582 7.538 1.00 1.58 C ATOM 512 OE1 GLU A 430 14.130 -3.068 6.429 1.00 2.50 O ATOM 513 OE2 GLU A 430 15.005 -1.487 7.668 1.00 1.64 O ATOM 0 H GLU A 430 12.846 -5.940 9.302 1.00 0.40 H new ATOM 0 HA GLU A 430 12.543 -3.738 11.073 1.00 0.38 H new ATOM 0 HB2 GLU A 430 12.138 -4.005 8.082 1.00 0.38 H new ATOM 0 HB3 GLU A 430 12.103 -2.487 8.957 1.00 0.38 H new ATOM 0 HG2 GLU A 430 14.466 -2.854 9.657 1.00 0.48 H new ATOM 0 HG3 GLU A 430 14.495 -4.347 8.740 1.00 0.48 H new ATOM 520 N GLU A 431 10.109 -3.039 10.833 1.00 0.29 N ATOM 521 CA GLU A 431 8.714 -2.853 11.017 1.00 0.26 C ATOM 522 C GLU A 431 8.067 -2.558 9.674 1.00 0.24 C ATOM 523 O GLU A 431 8.718 -2.081 8.743 1.00 0.26 O ATOM 524 CB GLU A 431 8.459 -1.709 11.994 1.00 0.29 C ATOM 525 CG GLU A 431 8.449 -0.358 11.320 1.00 0.63 C ATOM 526 CD GLU A 431 8.220 0.786 12.281 1.00 0.87 C ATOM 527 OE1 GLU A 431 9.132 1.624 12.441 1.00 1.11 O ATOM 528 OE2 GLU A 431 7.130 0.849 12.886 1.00 1.05 O ATOM 0 H GLU A 431 10.685 -2.247 11.118 1.00 0.29 H new ATOM 0 HA GLU A 431 8.278 -3.761 11.434 1.00 0.26 H new ATOM 0 HB2 GLU A 431 7.503 -1.869 12.492 1.00 0.29 H new ATOM 0 HB3 GLU A 431 9.227 -1.719 12.767 1.00 0.29 H new ATOM 0 HG2 GLU A 431 9.399 -0.208 10.807 1.00 0.63 H new ATOM 0 HG3 GLU A 431 7.670 -0.345 10.558 1.00 0.63 H new ATOM 535 N PRO A 432 6.786 -2.863 9.562 1.00 0.23 N ATOM 536 CA PRO A 432 6.019 -2.551 8.376 1.00 0.21 C ATOM 537 C PRO A 432 5.882 -1.054 8.212 1.00 0.20 C ATOM 538 O PRO A 432 5.274 -0.379 9.045 1.00 0.24 O ATOM 539 CB PRO A 432 4.645 -3.185 8.613 1.00 0.24 C ATOM 540 CG PRO A 432 4.627 -3.652 10.039 1.00 0.23 C ATOM 541 CD PRO A 432 6.018 -3.522 10.602 1.00 0.24 C ATOM 0 HA PRO A 432 6.497 -2.927 7.471 1.00 0.21 H new ATOM 0 HB2 PRO A 432 3.849 -2.463 8.432 1.00 0.24 H new ATOM 0 HB3 PRO A 432 4.480 -4.019 7.930 1.00 0.24 H new ATOM 0 HG2 PRO A 432 3.925 -3.058 10.623 1.00 0.23 H new ATOM 0 HG3 PRO A 432 4.291 -4.688 10.094 1.00 0.23 H new ATOM 0 HD2 PRO A 432 6.018 -2.938 11.522 1.00 0.24 H new ATOM 0 HD3 PRO A 432 6.438 -4.498 10.844 1.00 0.24 H new ATOM 549 N LEU A 433 6.445 -0.541 7.138 1.00 0.20 N ATOM 550 CA LEU A 433 6.312 0.853 6.815 1.00 0.20 C ATOM 551 C LEU A 433 4.918 1.112 6.321 1.00 0.20 C ATOM 552 O LEU A 433 4.505 0.603 5.278 1.00 0.30 O ATOM 553 CB LEU A 433 7.306 1.262 5.745 1.00 0.22 C ATOM 554 CG LEU A 433 8.706 1.615 6.241 1.00 0.24 C ATOM 555 CD1 LEU A 433 9.472 0.374 6.656 1.00 0.65 C ATOM 556 CD2 LEU A 433 9.469 2.396 5.182 1.00 0.73 C ATOM 0 H LEU A 433 7.002 -1.078 6.473 1.00 0.20 H new ATOM 0 HA LEU A 433 6.512 1.438 7.713 1.00 0.20 H new ATOM 0 HB2 LEU A 433 7.390 0.449 5.024 1.00 0.22 H new ATOM 0 HB3 LEU A 433 6.903 2.122 5.210 1.00 0.22 H new ATOM 0 HG LEU A 433 8.600 2.247 7.122 1.00 0.24 H new ATOM 0 HD11 LEU A 433 10.465 0.659 7.004 1.00 0.65 H new ATOM 0 HD12 LEU A 433 8.937 -0.132 7.459 1.00 0.65 H new ATOM 0 HD13 LEU A 433 9.566 -0.298 5.803 1.00 0.65 H new ATOM 0 HD21 LEU A 433 10.464 2.638 5.555 1.00 0.73 H new ATOM 0 HD22 LEU A 433 9.557 1.793 4.278 1.00 0.73 H new ATOM 0 HD23 LEU A 433 8.933 3.317 4.953 1.00 0.73 H new ATOM 568 N GLN A 434 4.195 1.883 7.080 1.00 0.17 N ATOM 569 CA GLN A 434 2.832 2.180 6.744 1.00 0.17 C ATOM 570 C GLN A 434 2.707 3.558 6.150 1.00 0.20 C ATOM 571 O GLN A 434 3.061 4.568 6.760 1.00 0.27 O ATOM 572 CB GLN A 434 1.921 2.014 7.947 1.00 0.18 C ATOM 573 CG GLN A 434 1.418 0.593 8.089 1.00 0.21 C ATOM 574 CD GLN A 434 0.544 0.381 9.311 1.00 0.38 C ATOM 575 OE1 GLN A 434 -0.677 0.538 9.250 1.00 1.26 O ATOM 576 NE2 GLN A 434 1.153 0.027 10.427 1.00 0.74 N ATOM 0 H GLN A 434 4.528 2.319 7.940 1.00 0.17 H new ATOM 0 HA GLN A 434 2.513 1.463 5.987 1.00 0.17 H new ATOM 0 HB2 GLN A 434 2.459 2.300 8.851 1.00 0.18 H new ATOM 0 HB3 GLN A 434 1.072 2.691 7.854 1.00 0.18 H new ATOM 0 HG2 GLN A 434 0.853 0.325 7.196 1.00 0.21 H new ATOM 0 HG3 GLN A 434 2.272 -0.083 8.141 1.00 0.21 H new ATOM 0 HE21 GLN A 434 2.166 -0.093 10.439 1.00 0.74 H new ATOM 0 HE22 GLN A 434 0.611 -0.126 11.277 1.00 0.74 H new ATOM 585 N PHE A 435 2.211 3.563 4.942 1.00 0.20 N ATOM 586 CA PHE A 435 2.004 4.791 4.192 1.00 0.23 C ATOM 587 C PHE A 435 0.518 5.084 4.090 1.00 0.21 C ATOM 588 O PHE A 435 -0.278 4.194 3.800 1.00 0.24 O ATOM 589 CB PHE A 435 2.631 4.697 2.795 1.00 0.25 C ATOM 590 CG PHE A 435 4.132 4.601 2.795 1.00 0.31 C ATOM 591 CD1 PHE A 435 4.761 3.372 2.903 1.00 0.36 C ATOM 592 CD2 PHE A 435 4.912 5.742 2.699 1.00 0.38 C ATOM 593 CE1 PHE A 435 6.140 3.284 2.913 1.00 0.43 C ATOM 594 CE2 PHE A 435 6.292 5.660 2.709 1.00 0.46 C ATOM 595 CZ PHE A 435 6.905 4.415 2.777 1.00 0.47 C ATOM 0 H PHE A 435 1.936 2.718 4.441 1.00 0.20 H new ATOM 0 HA PHE A 435 2.494 5.608 4.721 1.00 0.23 H new ATOM 0 HB2 PHE A 435 2.223 3.825 2.284 1.00 0.25 H new ATOM 0 HB3 PHE A 435 2.335 5.572 2.217 1.00 0.25 H new ATOM 0 HD1 PHE A 435 4.168 2.473 2.980 1.00 0.36 H new ATOM 0 HD2 PHE A 435 4.436 6.708 2.615 1.00 0.38 H new ATOM 0 HE1 PHE A 435 6.617 2.322 3.028 1.00 0.43 H new ATOM 0 HE2 PHE A 435 6.890 6.558 2.664 1.00 0.46 H new ATOM 0 HZ PHE A 435 7.981 4.338 2.723 1.00 0.47 H new ATOM 605 N ARG A 436 0.154 6.326 4.347 1.00 0.22 N ATOM 606 CA ARG A 436 -1.242 6.726 4.374 1.00 0.21 C ATOM 607 C ARG A 436 -1.530 7.780 3.309 1.00 0.19 C ATOM 608 O ARG A 436 -1.048 8.910 3.400 1.00 0.27 O ATOM 609 CB ARG A 436 -1.593 7.279 5.753 1.00 0.27 C ATOM 610 CG ARG A 436 -1.737 6.207 6.816 1.00 0.72 C ATOM 611 CD ARG A 436 -1.748 6.801 8.212 1.00 0.74 C ATOM 612 NE ARG A 436 -0.461 7.407 8.557 1.00 1.52 N ATOM 613 CZ ARG A 436 -0.313 8.461 9.355 1.00 2.15 C ATOM 614 NH1 ARG A 436 -1.373 9.053 9.900 1.00 2.32 N ATOM 615 NH2 ARG A 436 0.902 8.922 9.613 1.00 3.14 N ATOM 0 H ARG A 436 0.811 7.082 4.542 1.00 0.22 H new ATOM 0 HA ARG A 436 -1.854 5.849 4.163 1.00 0.21 H new ATOM 0 HB2 ARG A 436 -0.820 7.983 6.061 1.00 0.27 H new ATOM 0 HB3 ARG A 436 -2.526 7.839 5.684 1.00 0.27 H new ATOM 0 HG2 ARG A 436 -2.660 5.651 6.650 1.00 0.72 H new ATOM 0 HG3 ARG A 436 -0.916 5.496 6.729 1.00 0.72 H new ATOM 0 HD2 ARG A 436 -2.534 7.554 8.280 1.00 0.74 H new ATOM 0 HD3 ARG A 436 -1.989 6.023 8.936 1.00 0.74 H new ATOM 0 HE ARG A 436 0.381 6.992 8.158 1.00 1.52 H new ATOM 0 HH11 ARG A 436 -2.310 8.699 9.707 1.00 2.32 H new ATOM 0 HH12 ARG A 436 -1.248 9.861 10.510 1.00 2.32 H new ATOM 0 HH21 ARG A 436 1.718 8.469 9.200 1.00 3.14 H new ATOM 0 HH22 ARG A 436 1.022 9.730 10.224 1.00 3.14 H new ATOM 629 N VAL A 437 -2.312 7.412 2.308 1.00 0.17 N ATOM 630 CA VAL A 437 -2.680 8.329 1.244 1.00 0.16 C ATOM 631 C VAL A 437 -4.185 8.507 1.188 1.00 0.16 C ATOM 632 O VAL A 437 -4.952 7.659 1.658 1.00 0.17 O ATOM 633 CB VAL A 437 -2.161 7.870 -0.138 1.00 0.16 C ATOM 634 CG1 VAL A 437 -0.648 7.755 -0.129 1.00 0.20 C ATOM 635 CG2 VAL A 437 -2.802 6.558 -0.566 1.00 0.14 C ATOM 0 H VAL A 437 -2.707 6.477 2.211 1.00 0.17 H new ATOM 0 HA VAL A 437 -2.206 9.282 1.477 1.00 0.16 H new ATOM 0 HB VAL A 437 -2.445 8.627 -0.869 1.00 0.16 H new ATOM 0 HG11 VAL A 437 -0.302 7.431 -1.110 1.00 0.20 H new ATOM 0 HG12 VAL A 437 -0.211 8.725 0.108 1.00 0.20 H new ATOM 0 HG13 VAL A 437 -0.343 7.026 0.622 1.00 0.20 H new ATOM 0 HG21 VAL A 437 -2.414 6.265 -1.542 1.00 0.14 H new ATOM 0 HG22 VAL A 437 -2.569 5.784 0.165 1.00 0.14 H new ATOM 0 HG23 VAL A 437 -3.883 6.684 -0.628 1.00 0.14 H new ATOM 645 N PRO A 438 -4.597 9.642 0.627 1.00 0.17 N ATOM 646 CA PRO A 438 -6.002 10.040 0.499 1.00 0.18 C ATOM 647 C PRO A 438 -6.876 8.919 -0.077 1.00 0.16 C ATOM 648 O PRO A 438 -6.454 8.185 -0.970 1.00 0.14 O ATOM 649 CB PRO A 438 -5.910 11.238 -0.472 1.00 0.19 C ATOM 650 CG PRO A 438 -4.574 11.820 -0.167 1.00 0.21 C ATOM 651 CD PRO A 438 -3.684 10.653 0.081 1.00 0.19 C ATOM 0 HA PRO A 438 -6.469 10.277 1.455 1.00 0.18 H new ATOM 0 HB2 PRO A 438 -5.983 10.920 -1.512 1.00 0.19 H new ATOM 0 HB3 PRO A 438 -6.711 11.957 -0.302 1.00 0.19 H new ATOM 0 HG2 PRO A 438 -4.209 12.423 -0.998 1.00 0.21 H new ATOM 0 HG3 PRO A 438 -4.619 12.473 0.705 1.00 0.21 H new ATOM 0 HD2 PRO A 438 -3.206 10.310 -0.836 1.00 0.19 H new ATOM 0 HD3 PRO A 438 -2.887 10.897 0.784 1.00 0.19 H new ATOM 659 N GLY A 439 -8.098 8.812 0.432 1.00 0.19 N ATOM 660 CA GLY A 439 -8.962 7.687 0.136 1.00 0.20 C ATOM 661 C GLY A 439 -9.462 7.614 -1.293 1.00 0.18 C ATOM 662 O GLY A 439 -10.138 6.655 -1.659 1.00 0.20 O ATOM 0 H GLY A 439 -8.512 9.502 1.059 1.00 0.19 H new ATOM 0 HA2 GLY A 439 -8.424 6.767 0.363 1.00 0.20 H new ATOM 0 HA3 GLY A 439 -9.823 7.725 0.803 1.00 0.20 H new ATOM 666 N THR A 440 -9.195 8.627 -2.089 1.00 0.16 N ATOM 667 CA THR A 440 -9.588 8.588 -3.483 1.00 0.18 C ATOM 668 C THR A 440 -8.378 8.335 -4.406 1.00 0.16 C ATOM 669 O THR A 440 -8.542 7.956 -5.566 1.00 0.19 O ATOM 670 CB THR A 440 -10.289 9.891 -3.883 1.00 0.24 C ATOM 671 OG1 THR A 440 -9.581 11.014 -3.335 1.00 0.27 O ATOM 672 CG2 THR A 440 -11.727 9.900 -3.391 1.00 0.29 C ATOM 0 H THR A 440 -8.713 9.479 -1.801 1.00 0.16 H new ATOM 0 HA THR A 440 -10.284 7.758 -3.603 1.00 0.18 H new ATOM 0 HB THR A 440 -10.294 9.961 -4.971 1.00 0.24 H new ATOM 0 HG1 THR A 440 -10.032 11.844 -3.595 1.00 0.27 H new ATOM 0 HG21 THR A 440 -12.206 10.834 -3.685 1.00 0.29 H new ATOM 0 HG22 THR A 440 -12.267 9.061 -3.830 1.00 0.29 H new ATOM 0 HG23 THR A 440 -11.740 9.812 -2.305 1.00 0.29 H new ATOM 680 N SER A 441 -7.168 8.582 -3.887 1.00 0.13 N ATOM 681 CA SER A 441 -5.922 8.319 -4.602 1.00 0.12 C ATOM 682 C SER A 441 -5.780 6.846 -4.982 1.00 0.11 C ATOM 683 O SER A 441 -6.190 5.961 -4.240 1.00 0.12 O ATOM 684 CB SER A 441 -4.753 8.723 -3.711 1.00 0.13 C ATOM 685 OG SER A 441 -4.802 10.107 -3.402 1.00 0.16 O ATOM 0 H SER A 441 -7.030 8.972 -2.955 1.00 0.13 H new ATOM 0 HA SER A 441 -5.929 8.899 -5.525 1.00 0.12 H new ATOM 0 HB2 SER A 441 -4.775 8.140 -2.790 1.00 0.13 H new ATOM 0 HB3 SER A 441 -3.813 8.492 -4.212 1.00 0.13 H new ATOM 0 HG SER A 441 -4.043 10.341 -2.828 1.00 0.16 H new ATOM 691 N THR A 442 -5.184 6.582 -6.136 1.00 0.10 N ATOM 692 CA THR A 442 -4.993 5.214 -6.582 1.00 0.12 C ATOM 693 C THR A 442 -3.524 4.933 -6.908 1.00 0.13 C ATOM 694 O THR A 442 -3.199 3.936 -7.553 1.00 0.16 O ATOM 695 CB THR A 442 -5.891 4.882 -7.791 1.00 0.13 C ATOM 696 OG1 THR A 442 -5.706 5.856 -8.828 1.00 0.14 O ATOM 697 CG2 THR A 442 -7.360 4.842 -7.374 1.00 0.17 C ATOM 0 H THR A 442 -4.827 7.293 -6.775 1.00 0.10 H new ATOM 0 HA THR A 442 -5.287 4.564 -5.758 1.00 0.12 H new ATOM 0 HB THR A 442 -5.608 3.900 -8.169 1.00 0.13 H new ATOM 0 HG1 THR A 442 -6.280 5.634 -9.591 1.00 0.14 H new ATOM 0 HG21 THR A 442 -7.978 4.606 -8.240 1.00 0.17 H new ATOM 0 HG22 THR A 442 -7.501 4.078 -6.609 1.00 0.17 H new ATOM 0 HG23 THR A 442 -7.651 5.813 -6.974 1.00 0.17 H new ATOM 705 N SER A 443 -2.640 5.818 -6.456 1.00 0.12 N ATOM 706 CA SER A 443 -1.206 5.643 -6.658 1.00 0.15 C ATOM 707 C SER A 443 -0.432 6.429 -5.608 1.00 0.15 C ATOM 708 O SER A 443 -0.875 7.491 -5.166 1.00 0.19 O ATOM 709 CB SER A 443 -0.785 6.089 -8.065 1.00 0.17 C ATOM 710 OG SER A 443 -1.085 7.460 -8.285 1.00 1.08 O ATOM 0 H SER A 443 -2.893 6.665 -5.947 1.00 0.12 H new ATOM 0 HA SER A 443 -0.976 4.582 -6.556 1.00 0.15 H new ATOM 0 HB2 SER A 443 0.284 5.923 -8.196 1.00 0.17 H new ATOM 0 HB3 SER A 443 -1.296 5.479 -8.810 1.00 0.17 H new ATOM 0 HG SER A 443 -0.804 7.715 -9.188 1.00 1.08 H new ATOM 716 N ALA A 444 0.707 5.894 -5.201 1.00 0.14 N ATOM 717 CA ALA A 444 1.552 6.546 -4.209 1.00 0.15 C ATOM 718 C ALA A 444 2.994 6.191 -4.393 1.00 0.16 C ATOM 719 O ALA A 444 3.354 5.037 -4.627 1.00 0.15 O ATOM 720 CB ALA A 444 1.109 6.186 -2.801 1.00 0.16 C ATOM 0 H ALA A 444 1.071 5.005 -5.543 1.00 0.14 H new ATOM 0 HA ALA A 444 1.445 7.621 -4.352 1.00 0.15 H new ATOM 0 HB1 ALA A 444 1.755 6.684 -2.078 1.00 0.16 H new ATOM 0 HB2 ALA A 444 0.079 6.508 -2.650 1.00 0.16 H new ATOM 0 HB3 ALA A 444 1.176 5.107 -2.663 1.00 0.16 H new ATOM 726 N THR A 445 3.806 7.213 -4.316 1.00 0.24 N ATOM 727 CA THR A 445 5.225 7.059 -4.292 1.00 0.25 C ATOM 728 C THR A 445 5.690 6.757 -2.892 1.00 0.26 C ATOM 729 O THR A 445 5.647 7.600 -1.992 1.00 0.33 O ATOM 730 CB THR A 445 5.898 8.320 -4.817 1.00 0.31 C ATOM 731 OG1 THR A 445 5.579 8.490 -6.205 1.00 0.34 O ATOM 732 CG2 THR A 445 7.419 8.266 -4.626 1.00 0.34 C ATOM 0 H THR A 445 3.491 8.182 -4.268 1.00 0.24 H new ATOM 0 HA THR A 445 5.501 6.225 -4.937 1.00 0.25 H new ATOM 0 HB THR A 445 5.524 9.171 -4.248 1.00 0.31 H new ATOM 0 HG1 THR A 445 6.011 9.302 -6.543 1.00 0.34 H new ATOM 0 HG21 THR A 445 7.867 9.182 -5.012 1.00 0.34 H new ATOM 0 HG22 THR A 445 7.649 8.168 -3.565 1.00 0.34 H new ATOM 0 HG23 THR A 445 7.823 7.409 -5.165 1.00 0.34 H new ATOM 740 N LEU A 446 6.107 5.531 -2.720 1.00 0.22 N ATOM 741 CA LEU A 446 6.543 5.059 -1.428 1.00 0.25 C ATOM 742 C LEU A 446 8.027 5.285 -1.259 1.00 0.24 C ATOM 743 O LEU A 446 8.851 4.456 -1.643 1.00 0.23 O ATOM 744 CB LEU A 446 6.163 3.574 -1.237 1.00 0.25 C ATOM 745 CG LEU A 446 4.790 3.310 -0.570 1.00 0.32 C ATOM 746 CD1 LEU A 446 3.698 4.158 -1.205 1.00 0.65 C ATOM 747 CD2 LEU A 446 4.431 1.835 -0.681 1.00 0.59 C ATOM 0 H LEU A 446 6.155 4.834 -3.463 1.00 0.22 H new ATOM 0 HA LEU A 446 6.032 5.629 -0.652 1.00 0.25 H new ATOM 0 HB2 LEU A 446 6.171 3.088 -2.213 1.00 0.25 H new ATOM 0 HB3 LEU A 446 6.936 3.095 -0.636 1.00 0.25 H new ATOM 0 HG LEU A 446 4.867 3.586 0.482 1.00 0.32 H new ATOM 0 HD11 LEU A 446 2.746 3.951 -0.716 1.00 0.65 H new ATOM 0 HD12 LEU A 446 3.943 5.214 -1.089 1.00 0.65 H new ATOM 0 HD13 LEU A 446 3.621 3.918 -2.265 1.00 0.65 H new ATOM 0 HD21 LEU A 446 3.464 1.659 -0.209 1.00 0.59 H new ATOM 0 HD22 LEU A 446 4.379 1.551 -1.732 1.00 0.59 H new ATOM 0 HD23 LEU A 446 5.193 1.237 -0.181 1.00 0.59 H new ATOM 759 N THR A 447 8.351 6.425 -0.684 1.00 0.30 N ATOM 760 CA THR A 447 9.723 6.853 -0.559 1.00 0.30 C ATOM 761 C THR A 447 10.247 6.576 0.842 1.00 0.29 C ATOM 762 O THR A 447 9.549 6.777 1.838 1.00 0.36 O ATOM 763 CB THR A 447 9.846 8.352 -0.859 1.00 0.39 C ATOM 764 OG1 THR A 447 8.957 8.714 -1.919 1.00 0.86 O ATOM 765 CG2 THR A 447 11.256 8.742 -1.240 1.00 0.60 C ATOM 0 H THR A 447 7.671 7.077 -0.292 1.00 0.30 H new ATOM 0 HA THR A 447 10.317 6.291 -1.280 1.00 0.30 H new ATOM 0 HB THR A 447 9.582 8.886 0.054 1.00 0.39 H new ATOM 0 HG1 THR A 447 9.041 9.673 -2.103 1.00 0.86 H new ATOM 0 HG21 THR A 447 11.295 9.812 -1.443 1.00 0.60 H new ATOM 0 HG22 THR A 447 11.934 8.504 -0.420 1.00 0.60 H new ATOM 0 HG23 THR A 447 11.557 8.192 -2.131 1.00 0.60 H new ATOM 773 N GLY A 448 11.469 6.106 0.892 1.00 0.30 N ATOM 774 CA GLY A 448 12.135 5.822 2.147 1.00 0.38 C ATOM 775 C GLY A 448 12.480 4.351 2.300 1.00 0.30 C ATOM 776 O GLY A 448 13.246 3.983 3.190 1.00 0.38 O ATOM 0 H GLY A 448 12.033 5.908 0.066 1.00 0.30 H new ATOM 0 HA2 GLY A 448 13.047 6.415 2.213 1.00 0.38 H new ATOM 0 HA3 GLY A 448 11.494 6.130 2.973 1.00 0.38 H new ATOM 780 N LEU A 449 11.906 3.513 1.439 1.00 0.28 N ATOM 781 CA LEU A 449 12.193 2.086 1.437 1.00 0.25 C ATOM 782 C LEU A 449 13.682 1.802 1.299 1.00 0.25 C ATOM 783 O LEU A 449 14.375 2.398 0.470 1.00 0.34 O ATOM 784 CB LEU A 449 11.420 1.389 0.319 1.00 0.24 C ATOM 785 CG LEU A 449 9.904 1.310 0.513 1.00 0.21 C ATOM 786 CD1 LEU A 449 9.235 0.798 -0.747 1.00 0.27 C ATOM 787 CD2 LEU A 449 9.566 0.396 1.676 1.00 0.23 C ATOM 0 H LEU A 449 11.234 3.804 0.729 1.00 0.28 H new ATOM 0 HA LEU A 449 11.870 1.690 2.400 1.00 0.25 H new ATOM 0 HB2 LEU A 449 11.622 1.910 -0.617 1.00 0.24 H new ATOM 0 HB3 LEU A 449 11.808 0.376 0.210 1.00 0.24 H new ATOM 0 HG LEU A 449 9.536 2.313 0.729 1.00 0.21 H new ATOM 0 HD11 LEU A 449 8.157 0.748 -0.592 1.00 0.27 H new ATOM 0 HD12 LEU A 449 9.452 1.474 -1.574 1.00 0.27 H new ATOM 0 HD13 LEU A 449 9.614 -0.196 -0.982 1.00 0.27 H new ATOM 0 HD21 LEU A 449 8.484 0.351 1.801 1.00 0.23 H new ATOM 0 HD22 LEU A 449 9.950 -0.604 1.476 1.00 0.23 H new ATOM 0 HD23 LEU A 449 10.020 0.784 2.588 1.00 0.23 H new ATOM 799 N THR A 450 14.158 0.889 2.130 1.00 0.22 N ATOM 800 CA THR A 450 15.557 0.509 2.160 1.00 0.23 C ATOM 801 C THR A 450 15.890 -0.438 1.037 1.00 0.22 C ATOM 802 O THR A 450 15.456 -1.590 0.986 1.00 0.38 O ATOM 803 CB THR A 450 15.897 -0.110 3.525 1.00 0.27 C ATOM 804 OG1 THR A 450 15.591 0.834 4.558 1.00 0.32 O ATOM 805 CG2 THR A 450 17.359 -0.523 3.630 1.00 0.34 C ATOM 0 H THR A 450 13.580 0.389 2.806 1.00 0.22 H new ATOM 0 HA THR A 450 16.164 1.403 2.018 1.00 0.23 H new ATOM 0 HB THR A 450 15.297 -1.013 3.637 1.00 0.27 H new ATOM 0 HG1 THR A 450 15.804 0.444 5.431 1.00 0.32 H new ATOM 0 HG21 THR A 450 17.546 -0.954 4.614 1.00 0.34 H new ATOM 0 HG22 THR A 450 17.584 -1.262 2.861 1.00 0.34 H new ATOM 0 HG23 THR A 450 17.995 0.351 3.491 1.00 0.34 H new ATOM 813 N ARG A 451 16.638 0.114 0.118 1.00 0.29 N ATOM 814 CA ARG A 451 17.146 -0.597 -1.029 1.00 0.26 C ATOM 815 C ARG A 451 17.933 -1.824 -0.632 1.00 0.26 C ATOM 816 O ARG A 451 18.798 -1.791 0.248 1.00 0.30 O ATOM 817 CB ARG A 451 17.977 0.350 -1.870 1.00 0.31 C ATOM 818 CG ARG A 451 19.164 0.891 -1.122 1.00 0.32 C ATOM 819 CD ARG A 451 19.726 2.127 -1.785 1.00 0.43 C ATOM 820 NE ARG A 451 20.970 2.573 -1.160 1.00 1.32 N ATOM 821 CZ ARG A 451 21.604 3.699 -1.484 1.00 1.75 C ATOM 822 NH1 ARG A 451 21.135 4.476 -2.453 1.00 1.39 N ATOM 823 NH2 ARG A 451 22.717 4.042 -0.849 1.00 2.70 N ATOM 0 H ARG A 451 16.918 1.094 0.146 1.00 0.29 H new ATOM 0 HA ARG A 451 16.304 -0.957 -1.620 1.00 0.26 H new ATOM 0 HB2 ARG A 451 18.321 -0.169 -2.764 1.00 0.31 H new ATOM 0 HB3 ARG A 451 17.352 1.179 -2.203 1.00 0.31 H new ATOM 0 HG2 ARG A 451 18.872 1.128 -0.099 1.00 0.32 H new ATOM 0 HG3 ARG A 451 19.938 0.125 -1.064 1.00 0.32 H new ATOM 0 HD2 ARG A 451 19.905 1.921 -2.840 1.00 0.43 H new ATOM 0 HD3 ARG A 451 18.990 2.929 -1.737 1.00 0.43 H new ATOM 0 HE ARG A 451 21.377 1.986 -0.432 1.00 1.32 H new ATOM 0 HH11 ARG A 451 20.286 4.212 -2.953 1.00 1.39 H new ATOM 0 HH12 ARG A 451 21.624 5.337 -2.698 1.00 1.39 H new ATOM 0 HH21 ARG A 451 23.089 3.443 -0.112 1.00 2.70 H new ATOM 0 HH22 ARG A 451 23.201 4.904 -1.098 1.00 2.70 H new ATOM 837 N GLY A 452 17.590 -2.913 -1.281 1.00 0.28 N ATOM 838 CA GLY A 452 18.205 -4.173 -1.009 1.00 0.34 C ATOM 839 C GLY A 452 17.337 -5.041 -0.125 1.00 0.32 C ATOM 840 O GLY A 452 17.531 -6.255 -0.035 1.00 0.41 O ATOM 0 H GLY A 452 16.877 -2.941 -2.010 1.00 0.28 H new ATOM 0 HA2 GLY A 452 18.402 -4.692 -1.947 1.00 0.34 H new ATOM 0 HA3 GLY A 452 19.169 -4.011 -0.526 1.00 0.34 H new ATOM 844 N ALA A 453 16.369 -4.417 0.522 1.00 0.32 N ATOM 845 CA ALA A 453 15.440 -5.127 1.379 1.00 0.31 C ATOM 846 C ALA A 453 14.139 -5.345 0.664 1.00 0.27 C ATOM 847 O ALA A 453 13.675 -4.521 -0.125 1.00 0.35 O ATOM 848 CB ALA A 453 15.229 -4.374 2.686 1.00 0.32 C ATOM 0 H ALA A 453 16.206 -3.411 0.468 1.00 0.32 H new ATOM 0 HA ALA A 453 15.864 -6.101 1.622 1.00 0.31 H new ATOM 0 HB1 ALA A 453 14.528 -4.924 3.314 1.00 0.32 H new ATOM 0 HB2 ALA A 453 16.182 -4.274 3.206 1.00 0.32 H new ATOM 0 HB3 ALA A 453 14.826 -3.384 2.474 1.00 0.32 H new ATOM 854 N THR A 454 13.601 -6.498 0.921 1.00 0.23 N ATOM 855 CA THR A 454 12.368 -6.931 0.346 1.00 0.21 C ATOM 856 C THR A 454 11.197 -6.470 1.204 1.00 0.17 C ATOM 857 O THR A 454 11.246 -6.571 2.425 1.00 0.19 O ATOM 858 CB THR A 454 12.393 -8.452 0.277 1.00 0.22 C ATOM 859 OG1 THR A 454 13.441 -8.891 -0.583 1.00 0.29 O ATOM 860 CG2 THR A 454 11.070 -9.007 -0.227 1.00 0.24 C ATOM 0 H THR A 454 14.020 -7.180 1.553 1.00 0.23 H new ATOM 0 HA THR A 454 12.248 -6.506 -0.650 1.00 0.21 H new ATOM 0 HB THR A 454 12.565 -8.822 1.288 1.00 0.22 H new ATOM 0 HG1 THR A 454 13.227 -8.650 -1.509 1.00 0.29 H new ATOM 0 HG21 THR A 454 11.122 -10.095 -0.264 1.00 0.24 H new ATOM 0 HG22 THR A 454 10.268 -8.705 0.447 1.00 0.24 H new ATOM 0 HG23 THR A 454 10.870 -8.619 -1.226 1.00 0.24 H new ATOM 868 N TYR A 455 10.162 -5.947 0.574 1.00 0.16 N ATOM 869 CA TYR A 455 8.979 -5.513 1.294 1.00 0.16 C ATOM 870 C TYR A 455 7.723 -6.085 0.651 1.00 0.13 C ATOM 871 O TYR A 455 7.495 -5.917 -0.549 1.00 0.15 O ATOM 872 CB TYR A 455 8.903 -3.979 1.335 1.00 0.23 C ATOM 873 CG TYR A 455 9.994 -3.322 2.160 1.00 0.22 C ATOM 874 CD1 TYR A 455 9.790 -3.000 3.497 1.00 0.20 C ATOM 875 CD2 TYR A 455 11.225 -3.014 1.598 1.00 0.28 C ATOM 876 CE1 TYR A 455 10.783 -2.393 4.245 1.00 0.22 C ATOM 877 CE2 TYR A 455 12.222 -2.409 2.340 1.00 0.30 C ATOM 878 CZ TYR A 455 11.996 -2.101 3.662 1.00 0.26 C ATOM 879 OH TYR A 455 12.987 -1.493 4.402 1.00 0.29 O ATOM 0 H TYR A 455 10.116 -5.812 -0.436 1.00 0.16 H new ATOM 0 HA TYR A 455 9.047 -5.884 2.317 1.00 0.16 H new ATOM 0 HB2 TYR A 455 8.955 -3.597 0.315 1.00 0.23 H new ATOM 0 HB3 TYR A 455 7.933 -3.685 1.737 1.00 0.23 H new ATOM 0 HD1 TYR A 455 8.841 -3.227 3.959 1.00 0.20 H new ATOM 0 HD2 TYR A 455 11.408 -3.252 0.560 1.00 0.28 H new ATOM 0 HE1 TYR A 455 10.608 -2.149 5.282 1.00 0.22 H new ATOM 0 HE2 TYR A 455 13.174 -2.179 1.884 1.00 0.30 H new ATOM 0 HH TYR A 455 13.331 -2.123 5.069 1.00 0.29 H new ATOM 889 N ASN A 456 6.931 -6.790 1.445 1.00 0.12 N ATOM 890 CA ASN A 456 5.629 -7.262 1.003 1.00 0.12 C ATOM 891 C ASN A 456 4.648 -6.125 1.134 1.00 0.13 C ATOM 892 O ASN A 456 4.226 -5.766 2.237 1.00 0.15 O ATOM 893 CB ASN A 456 5.159 -8.471 1.821 1.00 0.14 C ATOM 894 CG ASN A 456 3.982 -9.202 1.163 1.00 0.17 C ATOM 895 OD1 ASN A 456 3.770 -9.079 -0.042 1.00 0.17 O ATOM 896 ND2 ASN A 456 3.230 -10.007 1.923 1.00 0.20 N ATOM 0 H ASN A 456 7.169 -7.048 2.403 1.00 0.12 H new ATOM 0 HA ASN A 456 5.698 -7.588 -0.035 1.00 0.12 H new ATOM 0 HB2 ASN A 456 5.989 -9.166 1.947 1.00 0.14 H new ATOM 0 HB3 ASN A 456 4.866 -8.140 2.817 1.00 0.14 H new ATOM 0 HD21 ASN A 456 2.463 -10.534 1.505 1.00 0.20 H new ATOM 0 HD22 ASN A 456 3.424 -10.094 2.921 1.00 0.20 H new ATOM 903 N ILE A 457 4.326 -5.544 0.004 1.00 0.13 N ATOM 904 CA ILE A 457 3.522 -4.353 -0.050 1.00 0.14 C ATOM 905 C ILE A 457 2.049 -4.711 -0.130 1.00 0.14 C ATOM 906 O ILE A 457 1.583 -5.307 -1.101 1.00 0.18 O ATOM 907 CB ILE A 457 3.930 -3.484 -1.251 1.00 0.16 C ATOM 908 CG1 ILE A 457 5.364 -2.970 -1.064 1.00 0.19 C ATOM 909 CG2 ILE A 457 2.954 -2.322 -1.436 1.00 0.18 C ATOM 910 CD1 ILE A 457 5.788 -1.935 -2.085 1.00 0.22 C ATOM 0 H ILE A 457 4.618 -5.889 -0.910 1.00 0.13 H new ATOM 0 HA ILE A 457 3.689 -3.781 0.863 1.00 0.14 H new ATOM 0 HB ILE A 457 3.895 -4.095 -2.153 1.00 0.16 H new ATOM 0 HG12 ILE A 457 5.457 -2.540 -0.067 1.00 0.19 H new ATOM 0 HG13 ILE A 457 6.051 -3.815 -1.112 1.00 0.19 H new ATOM 0 HG21 ILE A 457 3.262 -1.721 -2.291 1.00 0.18 H new ATOM 0 HG22 ILE A 457 1.951 -2.713 -1.610 1.00 0.18 H new ATOM 0 HG23 ILE A 457 2.951 -1.703 -0.539 1.00 0.18 H new ATOM 0 HD11 ILE A 457 6.813 -1.623 -1.883 1.00 0.22 H new ATOM 0 HD12 ILE A 457 5.730 -2.365 -3.085 1.00 0.22 H new ATOM 0 HD13 ILE A 457 5.127 -1.070 -2.023 1.00 0.22 H new ATOM 922 N ILE A 458 1.333 -4.349 0.910 1.00 0.16 N ATOM 923 CA ILE A 458 -0.082 -4.634 1.014 1.00 0.18 C ATOM 924 C ILE A 458 -0.849 -3.335 1.164 1.00 0.20 C ATOM 925 O ILE A 458 -0.546 -2.535 2.039 1.00 0.29 O ATOM 926 CB ILE A 458 -0.387 -5.536 2.216 1.00 0.22 C ATOM 927 CG1 ILE A 458 0.306 -6.883 2.066 1.00 0.21 C ATOM 928 CG2 ILE A 458 -1.882 -5.743 2.363 1.00 0.29 C ATOM 929 CD1 ILE A 458 0.172 -7.734 3.293 1.00 0.27 C ATOM 0 H ILE A 458 1.716 -3.847 1.711 1.00 0.16 H new ATOM 0 HA ILE A 458 -0.387 -5.155 0.107 1.00 0.18 H new ATOM 0 HB ILE A 458 -0.009 -5.042 3.111 1.00 0.22 H new ATOM 0 HG12 ILE A 458 -0.116 -7.413 1.212 1.00 0.21 H new ATOM 0 HG13 ILE A 458 1.363 -6.723 1.852 1.00 0.21 H new ATOM 0 HG21 ILE A 458 -2.078 -6.386 3.221 1.00 0.29 H new ATOM 0 HG22 ILE A 458 -2.370 -4.780 2.512 1.00 0.29 H new ATOM 0 HG23 ILE A 458 -2.275 -6.213 1.461 1.00 0.29 H new ATOM 0 HD11 ILE A 458 0.683 -8.684 3.135 1.00 0.27 H new ATOM 0 HD12 ILE A 458 0.618 -7.219 4.144 1.00 0.27 H new ATOM 0 HD13 ILE A 458 -0.883 -7.919 3.494 1.00 0.27 H new ATOM 941 N VAL A 459 -1.828 -3.122 0.315 1.00 0.17 N ATOM 942 CA VAL A 459 -2.592 -1.893 0.352 1.00 0.18 C ATOM 943 C VAL A 459 -3.958 -2.171 0.939 1.00 0.18 C ATOM 944 O VAL A 459 -4.746 -2.903 0.351 1.00 0.23 O ATOM 945 CB VAL A 459 -2.754 -1.290 -1.054 1.00 0.19 C ATOM 946 CG1 VAL A 459 -3.379 0.092 -0.986 1.00 0.20 C ATOM 947 CG2 VAL A 459 -1.422 -1.256 -1.792 1.00 0.20 C ATOM 0 H VAL A 459 -2.115 -3.781 -0.409 1.00 0.17 H new ATOM 0 HA VAL A 459 -2.053 -1.175 0.970 1.00 0.18 H new ATOM 0 HB VAL A 459 -3.430 -1.933 -1.618 1.00 0.19 H new ATOM 0 HG11 VAL A 459 -3.482 0.495 -1.994 1.00 0.20 H new ATOM 0 HG12 VAL A 459 -4.362 0.024 -0.520 1.00 0.20 H new ATOM 0 HG13 VAL A 459 -2.742 0.751 -0.395 1.00 0.20 H new ATOM 0 HG21 VAL A 459 -1.566 -0.825 -2.783 1.00 0.20 H new ATOM 0 HG22 VAL A 459 -0.711 -0.649 -1.232 1.00 0.20 H new ATOM 0 HG23 VAL A 459 -1.034 -2.270 -1.890 1.00 0.20 H new ATOM 957 N GLU A 460 -4.226 -1.607 2.099 1.00 0.18 N ATOM 958 CA GLU A 460 -5.485 -1.844 2.775 1.00 0.22 C ATOM 959 C GLU A 460 -6.304 -0.569 2.845 1.00 0.21 C ATOM 960 O GLU A 460 -5.815 0.489 3.244 1.00 0.30 O ATOM 961 CB GLU A 460 -5.257 -2.423 4.171 1.00 0.30 C ATOM 962 CG GLU A 460 -4.608 -3.797 4.159 1.00 0.36 C ATOM 963 CD GLU A 460 -4.327 -4.334 5.544 1.00 0.60 C ATOM 964 OE1 GLU A 460 -3.189 -4.174 6.036 1.00 0.79 O ATOM 965 OE2 GLU A 460 -5.235 -4.934 6.149 1.00 0.82 O ATOM 0 H GLU A 460 -3.589 -0.982 2.593 1.00 0.18 H new ATOM 0 HA GLU A 460 -6.046 -2.578 2.197 1.00 0.22 H new ATOM 0 HB2 GLU A 460 -4.629 -1.738 4.741 1.00 0.30 H new ATOM 0 HB3 GLU A 460 -6.213 -2.486 4.690 1.00 0.30 H new ATOM 0 HG2 GLU A 460 -5.258 -4.494 3.631 1.00 0.36 H new ATOM 0 HG3 GLU A 460 -3.674 -3.746 3.600 1.00 0.36 H new ATOM 972 N ALA A 461 -7.551 -0.691 2.447 1.00 0.16 N ATOM 973 CA ALA A 461 -8.456 0.430 2.370 1.00 0.15 C ATOM 974 C ALA A 461 -9.144 0.670 3.690 1.00 0.14 C ATOM 975 O ALA A 461 -9.869 -0.188 4.196 1.00 0.17 O ATOM 976 CB ALA A 461 -9.480 0.186 1.273 1.00 0.16 C ATOM 0 H ALA A 461 -7.967 -1.579 2.166 1.00 0.16 H new ATOM 0 HA ALA A 461 -7.879 1.324 2.132 1.00 0.15 H new ATOM 0 HB1 ALA A 461 -10.162 1.034 1.217 1.00 0.16 H new ATOM 0 HB2 ALA A 461 -8.969 0.068 0.318 1.00 0.16 H new ATOM 0 HB3 ALA A 461 -10.044 -0.719 1.497 1.00 0.16 H new ATOM 982 N LEU A 462 -8.889 1.837 4.247 1.00 0.16 N ATOM 983 CA LEU A 462 -9.573 2.279 5.431 1.00 0.20 C ATOM 984 C LEU A 462 -10.946 2.800 5.016 1.00 0.22 C ATOM 985 O LEU A 462 -11.081 3.930 4.547 1.00 0.24 O ATOM 986 CB LEU A 462 -8.784 3.376 6.150 1.00 0.25 C ATOM 987 CG LEU A 462 -8.908 3.332 7.677 1.00 0.34 C ATOM 988 CD1 LEU A 462 -8.168 4.472 8.331 1.00 0.85 C ATOM 989 CD2 LEU A 462 -10.353 3.355 8.114 1.00 0.78 C ATOM 0 H LEU A 462 -8.202 2.500 3.887 1.00 0.16 H new ATOM 0 HA LEU A 462 -9.675 1.446 6.126 1.00 0.20 H new ATOM 0 HB2 LEU A 462 -7.732 3.290 5.878 1.00 0.25 H new ATOM 0 HB3 LEU A 462 -9.127 4.348 5.795 1.00 0.25 H new ATOM 0 HG LEU A 462 -8.456 2.394 7.998 1.00 0.34 H new ATOM 0 HD11 LEU A 462 -8.280 4.405 9.413 1.00 0.85 H new ATOM 0 HD12 LEU A 462 -7.111 4.416 8.072 1.00 0.85 H new ATOM 0 HD13 LEU A 462 -8.578 5.420 7.981 1.00 0.85 H new ATOM 0 HD21 LEU A 462 -10.405 3.323 9.202 1.00 0.78 H new ATOM 0 HD22 LEU A 462 -10.827 4.269 7.755 1.00 0.78 H new ATOM 0 HD23 LEU A 462 -10.872 2.490 7.700 1.00 0.78 H new ATOM 1001 N LYS A 463 -11.947 1.966 5.179 1.00 0.23 N ATOM 1002 CA LYS A 463 -13.302 2.287 4.808 1.00 0.30 C ATOM 1003 C LYS A 463 -14.147 1.984 5.992 1.00 0.40 C ATOM 1004 O LYS A 463 -14.398 0.807 6.269 1.00 0.50 O ATOM 1005 CB LYS A 463 -13.766 1.430 3.620 1.00 0.31 C ATOM 1006 CG LYS A 463 -15.114 1.836 3.011 1.00 0.38 C ATOM 1007 CD LYS A 463 -15.009 2.989 2.023 1.00 0.42 C ATOM 1008 CE LYS A 463 -16.391 3.485 1.624 1.00 0.95 C ATOM 1009 NZ LYS A 463 -17.081 4.184 2.739 1.00 1.62 N ATOM 0 H LYS A 463 -11.839 1.034 5.578 1.00 0.23 H new ATOM 0 HA LYS A 463 -13.376 3.333 4.509 1.00 0.30 H new ATOM 0 HB2 LYS A 463 -13.005 1.475 2.841 1.00 0.31 H new ATOM 0 HB3 LYS A 463 -13.830 0.391 3.944 1.00 0.31 H new ATOM 0 HG2 LYS A 463 -15.551 0.974 2.507 1.00 0.38 H new ATOM 0 HG3 LYS A 463 -15.797 2.116 3.813 1.00 0.38 H new ATOM 0 HD2 LYS A 463 -14.439 3.805 2.468 1.00 0.42 H new ATOM 0 HD3 LYS A 463 -14.463 2.666 1.136 1.00 0.42 H new ATOM 0 HE2 LYS A 463 -16.301 4.161 0.774 1.00 0.95 H new ATOM 0 HE3 LYS A 463 -16.997 2.641 1.296 1.00 0.95 H new ATOM 0 HZ1 LYS A 463 -17.881 4.732 2.363 1.00 1.62 H new ATOM 0 HZ2 LYS A 463 -17.433 3.484 3.423 1.00 1.62 H new ATOM 0 HZ3 LYS A 463 -16.413 4.826 3.213 1.00 1.62 H new ATOM 1023 N ASP A 464 -14.503 3.017 6.752 1.00 0.58 N ATOM 1024 CA ASP A 464 -15.558 2.823 7.743 1.00 0.61 C ATOM 1025 C ASP A 464 -15.055 1.974 8.904 1.00 0.51 C ATOM 1026 O ASP A 464 -15.455 0.823 9.089 1.00 0.53 O ATOM 1027 CB ASP A 464 -16.694 2.127 7.040 1.00 0.72 C ATOM 1028 CG ASP A 464 -17.571 3.063 6.234 1.00 1.08 C ATOM 1029 OD1 ASP A 464 -17.630 2.907 4.995 1.00 1.85 O ATOM 1030 OD2 ASP A 464 -18.209 3.961 6.827 1.00 1.15 O ATOM 0 H ASP A 464 -14.100 3.953 6.707 1.00 0.58 H new ATOM 0 HA ASP A 464 -15.880 3.779 8.156 1.00 0.61 H new ATOM 0 HB2 ASP A 464 -16.287 1.363 6.378 1.00 0.72 H new ATOM 0 HB3 ASP A 464 -17.308 1.613 7.780 1.00 0.72 H new ATOM 1035 N GLN A 465 -14.175 2.590 9.669 1.00 0.52 N ATOM 1036 CA GLN A 465 -13.493 1.997 10.817 1.00 0.49 C ATOM 1037 C GLN A 465 -12.736 0.690 10.520 1.00 0.44 C ATOM 1038 O GLN A 465 -12.224 0.060 11.446 1.00 0.66 O ATOM 1039 CB GLN A 465 -14.488 1.765 11.952 1.00 0.56 C ATOM 1040 CG GLN A 465 -15.306 2.997 12.293 1.00 0.67 C ATOM 1041 CD GLN A 465 -16.287 2.762 13.423 1.00 0.78 C ATOM 1042 OE1 GLN A 465 -16.769 1.647 13.626 1.00 1.32 O ATOM 1043 NE2 GLN A 465 -16.598 3.814 14.160 1.00 1.39 N ATOM 0 H GLN A 465 -13.900 3.559 9.506 1.00 0.52 H new ATOM 0 HA GLN A 465 -12.730 2.721 11.104 1.00 0.49 H new ATOM 0 HB2 GLN A 465 -15.162 0.955 11.675 1.00 0.56 H new ATOM 0 HB3 GLN A 465 -13.946 1.439 12.840 1.00 0.56 H new ATOM 0 HG2 GLN A 465 -14.633 3.809 12.567 1.00 0.67 H new ATOM 0 HG3 GLN A 465 -15.852 3.321 11.407 1.00 0.67 H new ATOM 0 HE21 GLN A 465 -16.176 4.721 13.959 1.00 1.39 H new ATOM 0 HE22 GLN A 465 -17.260 3.719 14.930 1.00 1.39 H new ATOM 1052 N GLN A 466 -12.653 0.272 9.262 1.00 0.36 N ATOM 1053 CA GLN A 466 -11.996 -0.992 8.939 1.00 0.36 C ATOM 1054 C GLN A 466 -11.031 -0.873 7.782 1.00 0.28 C ATOM 1055 O GLN A 466 -11.036 0.100 7.031 1.00 0.29 O ATOM 1056 CB GLN A 466 -13.030 -2.061 8.609 1.00 0.54 C ATOM 1057 CG GLN A 466 -13.840 -2.487 9.798 1.00 1.20 C ATOM 1058 CD GLN A 466 -14.805 -3.605 9.474 1.00 1.42 C ATOM 1059 OE1 GLN A 466 -14.550 -4.431 8.596 1.00 1.60 O ATOM 1060 NE2 GLN A 466 -15.926 -3.640 10.175 1.00 2.13 N ATOM 0 H GLN A 466 -13.025 0.779 8.459 1.00 0.36 H new ATOM 0 HA GLN A 466 -11.426 -1.274 9.824 1.00 0.36 H new ATOM 0 HB2 GLN A 466 -13.701 -1.683 7.837 1.00 0.54 H new ATOM 0 HB3 GLN A 466 -12.523 -2.931 8.192 1.00 0.54 H new ATOM 0 HG2 GLN A 466 -13.169 -2.811 10.593 1.00 1.20 H new ATOM 0 HG3 GLN A 466 -14.396 -1.631 10.179 1.00 1.20 H new ATOM 0 HE21 GLN A 466 -16.100 -2.938 10.894 1.00 2.13 H new ATOM 0 HE22 GLN A 466 -16.616 -4.369 9.997 1.00 2.13 H new ATOM 1069 N ARG A 467 -10.219 -1.907 7.652 1.00 0.33 N ATOM 1070 CA ARG A 467 -9.212 -1.992 6.609 1.00 0.30 C ATOM 1071 C ARG A 467 -9.368 -3.286 5.823 1.00 0.33 C ATOM 1072 O ARG A 467 -9.390 -4.376 6.395 1.00 0.51 O ATOM 1073 CB ARG A 467 -7.814 -1.938 7.219 1.00 0.36 C ATOM 1074 CG ARG A 467 -7.506 -0.641 7.940 1.00 0.34 C ATOM 1075 CD ARG A 467 -6.276 -0.801 8.808 1.00 0.43 C ATOM 1076 NE ARG A 467 -5.903 0.435 9.491 1.00 1.24 N ATOM 1077 CZ ARG A 467 -4.653 0.749 9.836 1.00 1.67 C ATOM 1078 NH1 ARG A 467 -3.647 -0.058 9.519 1.00 1.51 N ATOM 1079 NH2 ARG A 467 -4.409 1.875 10.494 1.00 2.58 N ATOM 0 H ARG A 467 -10.240 -2.717 8.272 1.00 0.33 H new ATOM 0 HA ARG A 467 -9.346 -1.145 5.936 1.00 0.30 H new ATOM 0 HB2 ARG A 467 -7.702 -2.766 7.919 1.00 0.36 H new ATOM 0 HB3 ARG A 467 -7.078 -2.086 6.429 1.00 0.36 H new ATOM 0 HG2 ARG A 467 -7.346 0.157 7.215 1.00 0.34 H new ATOM 0 HG3 ARG A 467 -8.357 -0.348 8.554 1.00 0.34 H new ATOM 0 HD2 ARG A 467 -6.458 -1.580 9.549 1.00 0.43 H new ATOM 0 HD3 ARG A 467 -5.442 -1.136 8.191 1.00 0.43 H new ATOM 0 HE ARG A 467 -6.643 1.099 9.718 1.00 1.24 H new ATOM 0 HH11 ARG A 467 -3.828 -0.923 9.009 1.00 1.51 H new ATOM 0 HH12 ARG A 467 -2.693 0.187 9.785 1.00 1.51 H new ATOM 0 HH21 ARG A 467 -5.177 2.501 10.736 1.00 2.58 H new ATOM 0 HH22 ARG A 467 -3.453 2.115 10.758 1.00 2.58 H new ATOM 1093 N HIS A 468 -9.485 -3.160 4.514 1.00 0.28 N ATOM 1094 CA HIS A 468 -9.609 -4.316 3.630 1.00 0.32 C ATOM 1095 C HIS A 468 -8.530 -4.231 2.546 1.00 0.24 C ATOM 1096 O HIS A 468 -8.291 -3.147 2.030 1.00 0.27 O ATOM 1097 CB HIS A 468 -11.010 -4.345 2.998 1.00 0.44 C ATOM 1098 CG HIS A 468 -12.091 -4.808 3.936 1.00 0.75 C ATOM 1099 ND1 HIS A 468 -12.791 -5.979 3.760 1.00 1.02 N ATOM 1100 CD2 HIS A 468 -12.597 -4.236 5.057 1.00 1.01 C ATOM 1101 CE1 HIS A 468 -13.681 -6.110 4.727 1.00 1.26 C ATOM 1102 NE2 HIS A 468 -13.583 -5.067 5.529 1.00 1.25 N ATOM 0 H HIS A 468 -9.497 -2.262 4.031 1.00 0.28 H new ATOM 0 HA HIS A 468 -9.473 -5.235 4.200 1.00 0.32 H new ATOM 0 HB2 HIS A 468 -11.257 -3.346 2.639 1.00 0.44 H new ATOM 0 HB3 HIS A 468 -10.992 -5.001 2.128 1.00 0.44 H new ATOM 0 HD2 HIS A 468 -12.283 -3.301 5.497 1.00 1.01 H new ATOM 0 HE1 HIS A 468 -14.372 -6.932 4.842 1.00 1.26 H new ATOM 0 HE2 HIS A 468 -14.147 -4.905 6.363 1.00 1.25 H new ATOM 1111 N LYS A 469 -7.886 -5.343 2.165 1.00 0.27 N ATOM 1112 CA LYS A 469 -6.729 -5.210 1.258 1.00 0.40 C ATOM 1113 C LYS A 469 -7.206 -5.128 -0.181 1.00 0.29 C ATOM 1114 O LYS A 469 -8.129 -5.829 -0.599 1.00 0.37 O ATOM 1115 CB LYS A 469 -5.640 -6.279 1.388 1.00 0.80 C ATOM 1116 CG LYS A 469 -6.021 -7.577 0.774 1.00 0.70 C ATOM 1117 CD LYS A 469 -4.776 -8.386 0.469 1.00 0.70 C ATOM 1118 CE LYS A 469 -4.069 -8.888 1.721 1.00 0.41 C ATOM 1119 NZ LYS A 469 -4.918 -9.823 2.504 1.00 0.84 N ATOM 0 H LYS A 469 -8.124 -6.294 2.448 1.00 0.27 H new ATOM 0 HA LYS A 469 -6.242 -4.286 1.571 1.00 0.40 H new ATOM 0 HB2 LYS A 469 -4.726 -5.916 0.919 1.00 0.80 H new ATOM 0 HB3 LYS A 469 -5.416 -6.435 2.443 1.00 0.80 H new ATOM 0 HG2 LYS A 469 -6.670 -8.133 1.450 1.00 0.70 H new ATOM 0 HG3 LYS A 469 -6.587 -7.404 -0.141 1.00 0.70 H new ATOM 0 HD2 LYS A 469 -5.047 -9.238 -0.154 1.00 0.70 H new ATOM 0 HD3 LYS A 469 -4.085 -7.774 -0.111 1.00 0.70 H new ATOM 0 HE2 LYS A 469 -3.144 -9.390 1.438 1.00 0.41 H new ATOM 0 HE3 LYS A 469 -3.793 -8.039 2.346 1.00 0.41 H new ATOM 0 HZ1 LYS A 469 -4.332 -10.320 3.205 1.00 0.84 H new ATOM 0 HZ2 LYS A 469 -5.664 -9.288 2.993 1.00 0.84 H new ATOM 0 HZ3 LYS A 469 -5.354 -10.516 1.863 1.00 0.84 H new ATOM 1133 N VAL A 470 -6.588 -4.229 -0.908 1.00 0.23 N ATOM 1134 CA VAL A 470 -6.928 -3.951 -2.286 1.00 0.18 C ATOM 1135 C VAL A 470 -5.927 -4.606 -3.211 1.00 0.18 C ATOM 1136 O VAL A 470 -6.234 -4.946 -4.355 1.00 0.29 O ATOM 1137 CB VAL A 470 -6.897 -2.438 -2.512 1.00 0.22 C ATOM 1138 CG1 VAL A 470 -7.352 -2.073 -3.915 1.00 0.61 C ATOM 1139 CG2 VAL A 470 -7.730 -1.747 -1.452 1.00 0.59 C ATOM 0 H VAL A 470 -5.820 -3.659 -0.554 1.00 0.23 H new ATOM 0 HA VAL A 470 -7.922 -4.345 -2.496 1.00 0.18 H new ATOM 0 HB VAL A 470 -5.867 -2.092 -2.422 1.00 0.22 H new ATOM 0 HG11 VAL A 470 -7.317 -0.991 -4.039 1.00 0.61 H new ATOM 0 HG12 VAL A 470 -6.693 -2.543 -4.645 1.00 0.61 H new ATOM 0 HG13 VAL A 470 -8.373 -2.423 -4.069 1.00 0.61 H new ATOM 0 HG21 VAL A 470 -7.706 -0.670 -1.616 1.00 0.59 H new ATOM 0 HG22 VAL A 470 -8.760 -2.100 -1.511 1.00 0.59 H new ATOM 0 HG23 VAL A 470 -7.325 -1.973 -0.466 1.00 0.59 H new ATOM 1149 N ARG A 471 -4.732 -4.788 -2.686 1.00 0.17 N ATOM 1150 CA ARG A 471 -3.621 -5.278 -3.464 1.00 0.19 C ATOM 1151 C ARG A 471 -2.508 -5.742 -2.538 1.00 0.18 C ATOM 1152 O ARG A 471 -2.311 -5.173 -1.464 1.00 0.22 O ATOM 1153 CB ARG A 471 -3.108 -4.186 -4.406 1.00 0.28 C ATOM 1154 CG ARG A 471 -2.063 -4.707 -5.376 1.00 0.77 C ATOM 1155 CD ARG A 471 -2.208 -4.144 -6.773 1.00 0.52 C ATOM 1156 NE ARG A 471 -1.192 -4.691 -7.669 1.00 1.18 N ATOM 1157 CZ ARG A 471 -0.745 -4.080 -8.763 1.00 1.45 C ATOM 1158 NH1 ARG A 471 -1.173 -2.865 -9.076 1.00 1.39 N ATOM 1159 NH2 ARG A 471 0.145 -4.684 -9.537 1.00 2.13 N ATOM 0 H ARG A 471 -4.508 -4.600 -1.709 1.00 0.17 H new ATOM 0 HA ARG A 471 -3.956 -6.123 -4.066 1.00 0.19 H new ATOM 0 HB2 ARG A 471 -3.945 -3.770 -4.966 1.00 0.28 H new ATOM 0 HB3 ARG A 471 -2.682 -3.373 -3.818 1.00 0.28 H new ATOM 0 HG2 ARG A 471 -1.071 -4.464 -4.995 1.00 0.77 H new ATOM 0 HG3 ARG A 471 -2.130 -5.794 -5.421 1.00 0.77 H new ATOM 0 HD2 ARG A 471 -3.201 -4.374 -7.160 1.00 0.52 H new ATOM 0 HD3 ARG A 471 -2.123 -3.058 -6.741 1.00 0.52 H new ATOM 0 HE ARG A 471 -0.798 -5.604 -7.440 1.00 1.18 H new ATOM 0 HH11 ARG A 471 -1.849 -2.392 -8.476 1.00 1.39 H new ATOM 0 HH12 ARG A 471 -0.826 -2.403 -9.916 1.00 1.39 H new ATOM 0 HH21 ARG A 471 0.485 -5.614 -9.293 1.00 2.13 H new ATOM 0 HH22 ARG A 471 0.490 -4.219 -10.377 1.00 2.13 H new ATOM 1173 N GLU A 472 -1.806 -6.782 -2.949 1.00 0.20 N ATOM 1174 CA GLU A 472 -0.691 -7.314 -2.183 1.00 0.18 C ATOM 1175 C GLU A 472 0.391 -7.827 -3.120 1.00 0.18 C ATOM 1176 O GLU A 472 0.091 -8.535 -4.085 1.00 0.21 O ATOM 1177 CB GLU A 472 -1.172 -8.430 -1.254 1.00 0.21 C ATOM 1178 CG GLU A 472 -0.097 -9.446 -0.909 1.00 0.21 C ATOM 1179 CD GLU A 472 -0.526 -10.395 0.188 1.00 0.29 C ATOM 1180 OE1 GLU A 472 0.101 -10.396 1.266 1.00 0.62 O ATOM 1181 OE2 GLU A 472 -1.498 -11.151 -0.026 1.00 0.65 O ATOM 0 H GLU A 472 -1.991 -7.281 -3.819 1.00 0.20 H new ATOM 0 HA GLU A 472 -0.270 -6.515 -1.572 1.00 0.18 H new ATOM 0 HB2 GLU A 472 -1.548 -7.986 -0.332 1.00 0.21 H new ATOM 0 HB3 GLU A 472 -2.009 -8.946 -1.724 1.00 0.21 H new ATOM 0 HG2 GLU A 472 0.157 -10.018 -1.801 1.00 0.21 H new ATOM 0 HG3 GLU A 472 0.807 -8.922 -0.599 1.00 0.21 H new ATOM 1188 N GLU A 473 1.637 -7.458 -2.862 1.00 0.16 N ATOM 1189 CA GLU A 473 2.734 -7.904 -3.706 1.00 0.17 C ATOM 1190 C GLU A 473 4.072 -7.765 -3.028 1.00 0.20 C ATOM 1191 O GLU A 473 4.328 -6.796 -2.320 1.00 0.26 O ATOM 1192 CB GLU A 473 2.731 -7.141 -5.038 1.00 0.23 C ATOM 1193 CG GLU A 473 3.830 -7.563 -5.999 1.00 0.27 C ATOM 1194 CD GLU A 473 3.674 -8.992 -6.477 1.00 1.24 C ATOM 1195 OE1 GLU A 473 4.054 -9.921 -5.733 1.00 2.26 O ATOM 1196 OE2 GLU A 473 3.170 -9.192 -7.603 1.00 1.25 O ATOM 0 H GLU A 473 1.911 -6.858 -2.084 1.00 0.16 H new ATOM 0 HA GLU A 473 2.578 -8.965 -3.899 1.00 0.17 H new ATOM 0 HB2 GLU A 473 1.765 -7.283 -5.523 1.00 0.23 H new ATOM 0 HB3 GLU A 473 2.832 -6.075 -4.834 1.00 0.23 H new ATOM 0 HG2 GLU A 473 3.830 -6.895 -6.860 1.00 0.27 H new ATOM 0 HG3 GLU A 473 4.797 -7.452 -5.509 1.00 0.27 H new ATOM 1203 N VAL A 474 4.934 -8.736 -3.276 1.00 0.24 N ATOM 1204 CA VAL A 474 6.243 -8.721 -2.684 1.00 0.28 C ATOM 1205 C VAL A 474 7.240 -8.081 -3.638 1.00 0.21 C ATOM 1206 O VAL A 474 7.368 -8.499 -4.792 1.00 0.28 O ATOM 1207 CB VAL A 474 6.755 -10.125 -2.322 1.00 0.49 C ATOM 1208 CG1 VAL A 474 7.916 -10.038 -1.346 1.00 0.80 C ATOM 1209 CG2 VAL A 474 5.645 -10.994 -1.761 1.00 1.22 C ATOM 0 H VAL A 474 4.745 -9.536 -3.880 1.00 0.24 H new ATOM 0 HA VAL A 474 6.154 -8.145 -1.763 1.00 0.28 H new ATOM 0 HB VAL A 474 7.110 -10.595 -3.239 1.00 0.49 H new ATOM 0 HG11 VAL A 474 8.263 -11.042 -1.103 1.00 0.80 H new ATOM 0 HG12 VAL A 474 8.730 -9.472 -1.799 1.00 0.80 H new ATOM 0 HG13 VAL A 474 7.589 -9.537 -0.435 1.00 0.80 H new ATOM 0 HG21 VAL A 474 6.043 -11.979 -1.516 1.00 1.22 H new ATOM 0 HG22 VAL A 474 5.241 -10.532 -0.860 1.00 1.22 H new ATOM 0 HG23 VAL A 474 4.853 -11.097 -2.503 1.00 1.22 H new ATOM 1219 N VAL A 475 7.941 -7.075 -3.160 1.00 0.19 N ATOM 1220 CA VAL A 475 8.912 -6.371 -3.977 1.00 0.19 C ATOM 1221 C VAL A 475 10.213 -6.172 -3.255 1.00 0.19 C ATOM 1222 O VAL A 475 10.266 -5.723 -2.111 1.00 0.26 O ATOM 1223 CB VAL A 475 8.418 -4.989 -4.435 1.00 0.22 C ATOM 1224 CG1 VAL A 475 8.524 -4.873 -5.939 1.00 0.41 C ATOM 1225 CG2 VAL A 475 6.992 -4.719 -3.975 1.00 0.32 C ATOM 0 H VAL A 475 7.857 -6.724 -2.206 1.00 0.19 H new ATOM 0 HA VAL A 475 9.057 -7.009 -4.849 1.00 0.19 H new ATOM 0 HB VAL A 475 9.056 -4.235 -3.974 1.00 0.22 H new ATOM 0 HG11 VAL A 475 8.172 -3.891 -6.254 1.00 0.41 H new ATOM 0 HG12 VAL A 475 9.564 -5.000 -6.241 1.00 0.41 H new ATOM 0 HG13 VAL A 475 7.913 -5.645 -6.407 1.00 0.41 H new ATOM 0 HG21 VAL A 475 6.680 -3.733 -4.318 1.00 0.32 H new ATOM 0 HG22 VAL A 475 6.326 -5.476 -4.390 1.00 0.32 H new ATOM 0 HG23 VAL A 475 6.948 -4.755 -2.886 1.00 0.32 H new ATOM 1235 N THR A 476 11.249 -6.533 -3.951 1.00 0.24 N ATOM 1236 CA THR A 476 12.591 -6.223 -3.569 1.00 0.24 C ATOM 1237 C THR A 476 12.932 -4.828 -4.053 1.00 0.26 C ATOM 1238 O THR A 476 12.796 -4.509 -5.237 1.00 0.33 O ATOM 1239 CB THR A 476 13.522 -7.251 -4.192 1.00 0.31 C ATOM 1240 OG1 THR A 476 13.332 -8.522 -3.556 1.00 0.32 O ATOM 1241 CG2 THR A 476 14.985 -6.828 -4.108 1.00 0.38 C ATOM 0 H THR A 476 11.181 -7.063 -4.820 1.00 0.24 H new ATOM 0 HA THR A 476 12.701 -6.253 -2.485 1.00 0.24 H new ATOM 0 HB THR A 476 13.272 -7.329 -5.250 1.00 0.31 H new ATOM 0 HG1 THR A 476 13.932 -9.183 -3.960 1.00 0.32 H new ATOM 0 HG21 THR A 476 15.612 -7.593 -4.566 1.00 0.38 H new ATOM 0 HG22 THR A 476 15.122 -5.884 -4.635 1.00 0.38 H new ATOM 0 HG23 THR A 476 15.268 -6.704 -3.063 1.00 0.38 H new ATOM 1249 N VAL A 477 13.342 -4.000 -3.129 1.00 0.25 N ATOM 1250 CA VAL A 477 13.584 -2.607 -3.407 1.00 0.29 C ATOM 1251 C VAL A 477 14.993 -2.383 -3.938 1.00 0.33 C ATOM 1252 O VAL A 477 15.961 -2.911 -3.395 1.00 0.37 O ATOM 1253 CB VAL A 477 13.342 -1.799 -2.130 1.00 0.28 C ATOM 1254 CG1 VAL A 477 13.747 -0.346 -2.306 1.00 0.35 C ATOM 1255 CG2 VAL A 477 11.880 -1.908 -1.740 1.00 0.31 C ATOM 0 H VAL A 477 13.518 -4.271 -2.162 1.00 0.25 H new ATOM 0 HA VAL A 477 12.897 -2.273 -4.185 1.00 0.29 H new ATOM 0 HB VAL A 477 13.962 -2.210 -1.333 1.00 0.28 H new ATOM 0 HG11 VAL A 477 13.562 0.198 -1.380 1.00 0.35 H new ATOM 0 HG12 VAL A 477 14.807 -0.291 -2.553 1.00 0.35 H new ATOM 0 HG13 VAL A 477 13.163 0.099 -3.112 1.00 0.35 H new ATOM 0 HG21 VAL A 477 11.702 -1.334 -0.831 1.00 0.31 H new ATOM 0 HG22 VAL A 477 11.259 -1.515 -2.545 1.00 0.31 H new ATOM 0 HG23 VAL A 477 11.627 -2.954 -1.564 1.00 0.31 H new