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 -64:sc= 1.17 USER MOD Set 1.2: A 476 THR OG1 : rot 180:sc= 0.996 USER MOD Set 2.1: A 422 SER OG : rot 150:sc= 1.28 USER MOD Set 2.2: A 434 GLN : amide:sc= 0 K(o=1.3,f=0.33) USER MOD Set 3.1: A 416 THR OG1 : rot 139:sc= 1.28 USER MOD Set 3.2: A 419 TYR OH : rot 180:sc= 0.422 USER MOD Set 4.1: A 407 THR OG1 : rot 180:sc= 1.06 USER MOD Set 4.2: A 445 THR OG1 : rot -59:sc= 1.26 USER MOD Single : A 404 SER OG : rot 170:sc= 0 USER MOD Single : A 405 GLN : amide:sc= -0.442 K(o=-0.44,f=-4.2) USER MOD Single : A 406 THR OG1 : rot -175:sc= -1.21 USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 414 GLN :FLIP amide:sc= -0.12 F(o=-1.4!,f=-0.12) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 423 CYS SG : rot -130:sc= -3.31! USER MOD Single : A 424 HIS : no HD1:sc= -0.589 K(o=-0.59,f=-1.4) USER MOD Single : A 428 THR OG1 : rot 180:sc= -0.0803 USER MOD Single : A 440 THR OG1 : rot 180:sc= 0.00172 USER MOD Single : A 441 SER OG : rot -170:sc= -0.357 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= 0.0923 USER MOD Single : A 450 THR OG1 : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 90:sc= 0.617 USER MOD Single : A 456 ASN : amide:sc= -2.2! C(o=-2.2!,f=-5.2!) USER MOD Single : A 463 LYS NZ :NH3+ 171:sc= 0.408 (180deg=0.339) USER MOD Single : A 465 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 466 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 468 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 469 LYS NZ :NH3+ -118:sc= 0.625 (180deg=0.262) USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 404 14.683 4.511 -1.301 1.00 0.30 N ATOM 121 CA SER A 404 14.117 4.370 -2.615 1.00 0.27 C ATOM 122 C SER A 404 12.661 4.797 -2.553 1.00 0.28 C ATOM 123 O SER A 404 12.047 4.774 -1.481 1.00 0.43 O ATOM 124 CB SER A 404 14.242 2.917 -3.076 1.00 0.28 C ATOM 125 OG SER A 404 13.667 2.722 -4.356 1.00 1.04 O ATOM 0 HA SER A 404 14.648 4.996 -3.332 1.00 0.27 H new ATOM 0 HB2 SER A 404 15.294 2.633 -3.103 1.00 0.28 H new ATOM 0 HB3 SER A 404 13.753 2.263 -2.354 1.00 0.28 H new ATOM 0 HG SER A 404 13.904 1.831 -4.689 1.00 1.04 H new ATOM 131 N GLN A 405 12.119 5.214 -3.679 1.00 0.26 N ATOM 132 CA GLN A 405 10.736 5.633 -3.725 1.00 0.26 C ATOM 133 C GLN A 405 9.961 4.744 -4.679 1.00 0.27 C ATOM 134 O GLN A 405 10.142 4.816 -5.896 1.00 0.43 O ATOM 135 CB GLN A 405 10.593 7.096 -4.158 1.00 0.30 C ATOM 136 CG GLN A 405 11.815 7.977 -3.899 1.00 0.33 C ATOM 137 CD GLN A 405 12.905 7.848 -4.960 1.00 0.58 C ATOM 138 OE1 GLN A 405 13.821 7.033 -4.830 1.00 0.99 O ATOM 139 NE2 GLN A 405 12.816 8.644 -6.020 1.00 0.91 N ATOM 0 H GLN A 405 12.613 5.271 -4.569 1.00 0.26 H new ATOM 0 HA GLN A 405 10.332 5.543 -2.717 1.00 0.26 H new ATOM 0 HB2 GLN A 405 10.367 7.122 -5.224 1.00 0.30 H new ATOM 0 HB3 GLN A 405 9.737 7.529 -3.640 1.00 0.30 H new ATOM 0 HG2 GLN A 405 11.496 9.018 -3.845 1.00 0.33 H new ATOM 0 HG3 GLN A 405 12.236 7.721 -2.927 1.00 0.33 H new ATOM 0 HE21 GLN A 405 12.045 9.307 -6.096 1.00 0.91 H new ATOM 0 HE22 GLN A 405 13.519 8.592 -6.757 1.00 0.91 H new ATOM 148 N THR A 406 9.106 3.907 -4.122 1.00 0.18 N ATOM 149 CA THR A 406 8.299 3.009 -4.909 1.00 0.19 C ATOM 150 C THR A 406 6.947 3.610 -5.184 1.00 0.17 C ATOM 151 O THR A 406 6.059 3.614 -4.337 1.00 0.16 O ATOM 152 CB THR A 406 8.125 1.663 -4.192 1.00 0.21 C ATOM 153 OG1 THR A 406 9.408 1.118 -3.866 1.00 0.27 O ATOM 154 CG2 THR A 406 7.356 0.683 -5.048 1.00 0.29 C ATOM 0 H THR A 406 8.956 3.834 -3.116 1.00 0.18 H new ATOM 0 HA THR A 406 8.814 2.843 -5.855 1.00 0.19 H new ATOM 0 HB THR A 406 7.557 1.836 -3.278 1.00 0.21 H new ATOM 0 HG1 THR A 406 9.295 0.225 -3.479 1.00 0.27 H new ATOM 0 HG21 THR A 406 7.249 -0.261 -4.514 1.00 0.29 H new ATOM 0 HG22 THR A 406 6.369 1.089 -5.269 1.00 0.29 H new ATOM 0 HG23 THR A 406 7.895 0.513 -5.980 1.00 0.29 H new ATOM 162 N THR A 407 6.821 4.153 -6.363 1.00 0.19 N ATOM 163 CA THR A 407 5.556 4.612 -6.850 1.00 0.19 C ATOM 164 C THR A 407 4.713 3.408 -7.261 1.00 0.19 C ATOM 165 O THR A 407 5.087 2.641 -8.149 1.00 0.26 O ATOM 166 CB THR A 407 5.783 5.565 -8.023 1.00 0.24 C ATOM 167 OG1 THR A 407 6.354 6.788 -7.537 1.00 0.26 O ATOM 168 CG2 THR A 407 4.493 5.851 -8.785 1.00 0.24 C ATOM 0 H THR A 407 7.596 4.289 -7.012 1.00 0.19 H new ATOM 0 HA THR A 407 5.020 5.155 -6.072 1.00 0.19 H new ATOM 0 HB THR A 407 6.469 5.086 -8.721 1.00 0.24 H new ATOM 0 HG1 THR A 407 6.502 7.401 -8.287 1.00 0.26 H new ATOM 0 HG21 THR A 407 4.701 6.532 -9.610 1.00 0.24 H new ATOM 0 HG22 THR A 407 4.088 4.918 -9.178 1.00 0.24 H new ATOM 0 HG23 THR A 407 3.767 6.307 -8.112 1.00 0.24 H new ATOM 176 N ILE A 408 3.594 3.237 -6.589 1.00 0.21 N ATOM 177 CA ILE A 408 2.763 2.052 -6.767 1.00 0.21 C ATOM 178 C ILE A 408 1.315 2.454 -6.935 1.00 0.18 C ATOM 179 O ILE A 408 0.823 3.347 -6.249 1.00 0.16 O ATOM 180 CB ILE A 408 2.934 1.012 -5.603 1.00 0.23 C ATOM 181 CG1 ILE A 408 1.708 0.107 -5.444 1.00 0.21 C ATOM 182 CG2 ILE A 408 3.211 1.691 -4.274 1.00 0.25 C ATOM 183 CD1 ILE A 408 2.020 -1.231 -4.809 1.00 0.27 C ATOM 0 H ILE A 408 3.232 3.905 -5.909 1.00 0.21 H new ATOM 0 HA ILE A 408 3.099 1.550 -7.674 1.00 0.21 H new ATOM 0 HB ILE A 408 3.791 0.400 -5.884 1.00 0.23 H new ATOM 0 HG12 ILE A 408 0.963 0.622 -4.838 1.00 0.21 H new ATOM 0 HG13 ILE A 408 1.261 -0.061 -6.424 1.00 0.21 H new ATOM 0 HG21 ILE A 408 3.323 0.936 -3.496 1.00 0.25 H new ATOM 0 HG22 ILE A 408 4.129 2.274 -4.348 1.00 0.25 H new ATOM 0 HG23 ILE A 408 2.381 2.351 -4.023 1.00 0.25 H new ATOM 0 HD11 ILE A 408 1.105 -1.818 -4.729 1.00 0.27 H new ATOM 0 HD12 ILE A 408 2.742 -1.767 -5.426 1.00 0.27 H new ATOM 0 HD13 ILE A 408 2.438 -1.073 -3.815 1.00 0.27 H new ATOM 195 N SER A 409 0.664 1.822 -7.889 1.00 0.18 N ATOM 196 CA SER A 409 -0.712 2.123 -8.203 1.00 0.16 C ATOM 197 C SER A 409 -1.609 0.929 -7.914 1.00 0.13 C ATOM 198 O SER A 409 -1.163 -0.221 -7.908 1.00 0.15 O ATOM 199 CB SER A 409 -0.831 2.538 -9.670 1.00 0.21 C ATOM 200 OG SER A 409 -0.134 1.634 -10.515 1.00 0.71 O ATOM 0 H SER A 409 1.075 1.088 -8.466 1.00 0.18 H new ATOM 0 HA SER A 409 -1.039 2.949 -7.572 1.00 0.16 H new ATOM 0 HB2 SER A 409 -1.882 2.573 -9.957 1.00 0.21 H new ATOM 0 HB3 SER A 409 -0.432 3.544 -9.800 1.00 0.21 H new ATOM 0 HG SER A 409 -0.227 1.920 -11.448 1.00 0.71 H new ATOM 206 N TRP A 410 -2.866 1.220 -7.659 1.00 0.16 N ATOM 207 CA TRP A 410 -3.864 0.202 -7.405 1.00 0.17 C ATOM 208 C TRP A 410 -5.166 0.644 -7.971 1.00 0.18 C ATOM 209 O TRP A 410 -5.384 1.830 -8.230 1.00 0.19 O ATOM 210 CB TRP A 410 -4.017 -0.075 -5.907 1.00 0.16 C ATOM 211 CG TRP A 410 -4.304 1.161 -5.098 1.00 0.14 C ATOM 212 CD1 TRP A 410 -5.522 1.674 -4.715 1.00 0.14 C ATOM 213 CD2 TRP A 410 -3.320 2.050 -4.581 1.00 0.13 C ATOM 214 NE1 TRP A 410 -5.331 2.819 -3.980 1.00 0.13 N ATOM 215 CE2 TRP A 410 -3.988 3.070 -3.886 1.00 0.12 C ATOM 216 CE3 TRP A 410 -1.929 2.072 -4.641 1.00 0.14 C ATOM 217 CZ2 TRP A 410 -3.305 4.106 -3.253 1.00 0.14 C ATOM 218 CZ3 TRP A 410 -1.250 3.093 -4.022 1.00 0.15 C ATOM 219 CH2 TRP A 410 -1.937 4.101 -3.331 1.00 0.14 C ATOM 0 H TRP A 410 -3.227 2.173 -7.622 1.00 0.16 H new ATOM 0 HA TRP A 410 -3.541 -0.723 -7.882 1.00 0.17 H new ATOM 0 HB2 TRP A 410 -4.823 -0.793 -5.758 1.00 0.16 H new ATOM 0 HB3 TRP A 410 -3.104 -0.540 -5.536 1.00 0.16 H new ATOM 0 HD1 TRP A 410 -6.482 1.242 -4.956 1.00 0.14 H new ATOM 0 HE1 TRP A 410 -6.070 3.390 -3.570 1.00 0.13 H new ATOM 0 HE3 TRP A 410 -1.391 1.297 -5.167 1.00 0.14 H new ATOM 0 HZ2 TRP A 410 -3.833 4.883 -2.721 1.00 0.14 H new ATOM 0 HZ3 TRP A 410 -0.171 3.120 -4.068 1.00 0.15 H new ATOM 0 HH2 TRP A 410 -1.377 4.889 -2.851 1.00 0.14 H new ATOM 230 N ALA A 411 -6.023 -0.308 -8.177 1.00 0.19 N ATOM 231 CA ALA A 411 -7.269 -0.038 -8.774 1.00 0.22 C ATOM 232 C ALA A 411 -8.232 0.509 -7.756 1.00 0.19 C ATOM 233 O ALA A 411 -8.352 -0.007 -6.643 1.00 0.19 O ATOM 234 CB ALA A 411 -7.800 -1.269 -9.433 1.00 0.26 C ATOM 0 H ALA A 411 -5.868 -1.286 -7.933 1.00 0.19 H new ATOM 0 HA ALA A 411 -7.140 0.723 -9.544 1.00 0.22 H new ATOM 0 HB1 ALA A 411 -8.764 -1.049 -9.892 1.00 0.26 H new ATOM 0 HB2 ALA A 411 -7.101 -1.602 -10.200 1.00 0.26 H new ATOM 0 HB3 ALA A 411 -7.923 -2.056 -8.689 1.00 0.26 H new ATOM 240 N PRO A 412 -8.913 1.570 -8.161 1.00 0.20 N ATOM 241 CA PRO A 412 -9.805 2.330 -7.310 1.00 0.19 C ATOM 242 C PRO A 412 -10.762 1.444 -6.553 1.00 0.20 C ATOM 243 O PRO A 412 -11.608 0.768 -7.143 1.00 0.23 O ATOM 244 CB PRO A 412 -10.601 3.192 -8.264 1.00 0.24 C ATOM 245 CG PRO A 412 -9.901 3.154 -9.586 1.00 0.26 C ATOM 246 CD PRO A 412 -8.851 2.083 -9.524 1.00 0.23 C ATOM 0 HA PRO A 412 -9.240 2.892 -6.567 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -11.621 2.820 -8.358 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -10.668 4.215 -7.894 1.00 0.24 H new ATOM 0 HG2 PRO A 412 -10.610 2.946 -10.387 1.00 0.26 H new ATOM 0 HG3 PRO A 412 -9.447 4.121 -9.805 1.00 0.26 H new ATOM 0 HD2 PRO A 412 -9.048 1.295 -10.251 1.00 0.23 H new ATOM 0 HD3 PRO A 412 -7.863 2.485 -9.749 1.00 0.23 H new ATOM 254 N PHE A 413 -10.627 1.456 -5.254 1.00 0.21 N ATOM 255 CA PHE A 413 -11.460 0.636 -4.413 1.00 0.30 C ATOM 256 C PHE A 413 -12.810 1.304 -4.151 1.00 0.51 C ATOM 257 O PHE A 413 -13.756 0.653 -3.701 1.00 1.35 O ATOM 258 CB PHE A 413 -10.734 0.323 -3.103 1.00 0.30 C ATOM 259 CG PHE A 413 -11.504 -0.565 -2.177 1.00 0.37 C ATOM 260 CD1 PHE A 413 -12.052 -0.042 -1.028 1.00 0.36 C ATOM 261 CD2 PHE A 413 -11.703 -1.902 -2.470 1.00 0.51 C ATOM 262 CE1 PHE A 413 -12.789 -0.834 -0.171 1.00 0.45 C ATOM 263 CE2 PHE A 413 -12.433 -2.708 -1.618 1.00 0.61 C ATOM 264 CZ PHE A 413 -12.979 -2.172 -0.465 1.00 0.57 C ATOM 0 H PHE A 413 -9.946 2.026 -4.753 1.00 0.21 H new ATOM 0 HA PHE A 413 -11.659 -0.302 -4.932 1.00 0.30 H new ATOM 0 HB2 PHE A 413 -9.779 -0.150 -3.333 1.00 0.30 H new ATOM 0 HB3 PHE A 413 -10.511 1.259 -2.591 1.00 0.30 H new ATOM 0 HD1 PHE A 413 -11.903 1.002 -0.794 1.00 0.36 H new ATOM 0 HD2 PHE A 413 -11.284 -2.320 -3.373 1.00 0.51 H new ATOM 0 HE1 PHE A 413 -13.216 -0.410 0.726 1.00 0.45 H new ATOM 0 HE2 PHE A 413 -12.577 -3.753 -1.851 1.00 0.61 H new ATOM 0 HZ PHE A 413 -13.552 -2.797 0.204 1.00 0.57 H new ATOM 274 N GLN A 414 -12.872 2.608 -4.426 1.00 0.54 N ATOM 275 CA GLN A 414 -14.132 3.381 -4.372 1.00 0.53 C ATOM 276 C GLN A 414 -14.407 3.893 -2.996 1.00 0.44 C ATOM 277 O GLN A 414 -14.557 3.160 -2.020 1.00 0.48 O ATOM 278 CB GLN A 414 -15.351 2.607 -4.908 1.00 0.71 C ATOM 279 CG GLN A 414 -16.621 3.438 -4.990 1.00 1.28 C ATOM 280 CD GLN A 414 -17.895 2.588 -5.045 1.00 1.51 C ATOM 281 OE1 GLN A 414 -17.906 1.398 -4.416 1.00 2.11 O flip ATOM 282 NE2 GLN A 414 -18.885 2.999 -5.655 1.00 1.89 N flip ATOM 0 H GLN A 414 -12.059 3.164 -4.692 1.00 0.54 H new ATOM 0 HA GLN A 414 -13.978 4.229 -5.039 1.00 0.53 H new ATOM 0 HB2 GLN A 414 -15.116 2.221 -5.900 1.00 0.71 H new ATOM 0 HB3 GLN A 414 -15.533 1.745 -4.266 1.00 0.71 H new ATOM 0 HG2 GLN A 414 -16.671 4.100 -4.126 1.00 1.28 H new ATOM 0 HG3 GLN A 414 -16.576 4.072 -5.875 1.00 1.28 H new ATOM 0 HE21 GLN A 414 -18.855 3.904 -6.125 1.00 1.89 H new ATOM 0 HE22 GLN A 414 -19.734 2.434 -5.690 1.00 1.89 H new ATOM 291 N ASP A 415 -14.431 5.198 -2.987 1.00 0.39 N ATOM 292 CA ASP A 415 -14.738 6.018 -1.851 1.00 0.34 C ATOM 293 C ASP A 415 -14.058 5.581 -0.570 1.00 0.31 C ATOM 294 O ASP A 415 -14.667 5.590 0.499 1.00 0.35 O ATOM 295 CB ASP A 415 -16.240 6.111 -1.618 1.00 0.40 C ATOM 296 CG ASP A 415 -16.957 6.886 -2.704 1.00 0.45 C ATOM 297 OD1 ASP A 415 -17.626 6.256 -3.548 1.00 0.58 O ATOM 298 OD2 ASP A 415 -16.857 8.132 -2.720 1.00 0.59 O ATOM 0 H ASP A 415 -14.225 5.747 -3.821 1.00 0.39 H new ATOM 0 HA ASP A 415 -14.340 7.001 -2.105 1.00 0.34 H new ATOM 0 HB2 ASP A 415 -16.657 5.105 -1.560 1.00 0.40 H new ATOM 0 HB3 ASP A 415 -16.425 6.588 -0.656 1.00 0.40 H new ATOM 303 N THR A 416 -12.804 5.228 -0.668 1.00 0.27 N ATOM 304 CA THR A 416 -12.031 4.874 0.492 1.00 0.23 C ATOM 305 C THR A 416 -11.741 6.130 1.311 1.00 0.24 C ATOM 306 O THR A 416 -11.560 7.209 0.754 1.00 0.25 O ATOM 307 CB THR A 416 -10.726 4.202 0.052 1.00 0.19 C ATOM 308 OG1 THR A 416 -11.022 3.054 -0.761 1.00 0.22 O ATOM 309 CG2 THR A 416 -9.901 3.786 1.253 1.00 0.22 C ATOM 0 H THR A 416 -12.292 5.178 -1.549 1.00 0.27 H new ATOM 0 HA THR A 416 -12.591 4.174 1.112 1.00 0.23 H new ATOM 0 HB THR A 416 -10.146 4.919 -0.529 1.00 0.19 H new ATOM 0 HG1 THR A 416 -10.396 3.017 -1.514 1.00 0.22 H new ATOM 0 HG21 THR A 416 -8.980 3.311 0.915 1.00 0.22 H new ATOM 0 HG22 THR A 416 -9.658 4.665 1.850 1.00 0.22 H new ATOM 0 HG23 THR A 416 -10.471 3.082 1.859 1.00 0.22 H new ATOM 317 N SER A 417 -11.791 6.011 2.632 1.00 0.25 N ATOM 318 CA SER A 417 -11.445 7.124 3.501 1.00 0.28 C ATOM 319 C SER A 417 -9.931 7.319 3.526 1.00 0.27 C ATOM 320 O SER A 417 -9.440 8.447 3.607 1.00 0.33 O ATOM 321 CB SER A 417 -11.974 6.891 4.919 1.00 0.32 C ATOM 322 OG SER A 417 -13.384 6.745 4.918 1.00 1.14 O ATOM 0 H SER A 417 -12.066 5.159 3.121 1.00 0.25 H new ATOM 0 HA SER A 417 -11.912 8.027 3.107 1.00 0.28 H new ATOM 0 HB2 SER A 417 -11.513 5.998 5.341 1.00 0.32 H new ATOM 0 HB3 SER A 417 -11.692 7.728 5.558 1.00 0.32 H new ATOM 0 HG SER A 417 -13.698 6.596 5.834 1.00 1.14 H new ATOM 328 N GLU A 418 -9.197 6.213 3.447 1.00 0.23 N ATOM 329 CA GLU A 418 -7.751 6.252 3.454 1.00 0.25 C ATOM 330 C GLU A 418 -7.161 4.927 3.002 1.00 0.19 C ATOM 331 O GLU A 418 -7.691 3.872 3.305 1.00 0.28 O ATOM 332 CB GLU A 418 -7.281 6.586 4.858 1.00 0.36 C ATOM 333 CG GLU A 418 -5.824 6.322 5.117 1.00 0.84 C ATOM 334 CD GLU A 418 -5.358 6.967 6.403 1.00 0.86 C ATOM 335 OE1 GLU A 418 -5.594 6.392 7.483 1.00 1.31 O ATOM 336 OE2 GLU A 418 -4.775 8.071 6.343 1.00 1.37 O ATOM 0 H GLU A 418 -9.591 5.275 3.377 1.00 0.23 H new ATOM 0 HA GLU A 418 -7.412 7.016 2.754 1.00 0.25 H new ATOM 0 HB2 GLU A 418 -7.485 7.639 5.053 1.00 0.36 H new ATOM 0 HB3 GLU A 418 -7.872 6.010 5.570 1.00 0.36 H new ATOM 0 HG2 GLU A 418 -5.652 5.247 5.166 1.00 0.84 H new ATOM 0 HG3 GLU A 418 -5.232 6.702 4.284 1.00 0.84 H new ATOM 343 N TYR A 419 -6.066 4.986 2.276 1.00 0.17 N ATOM 344 CA TYR A 419 -5.355 3.768 1.899 1.00 0.16 C ATOM 345 C TYR A 419 -4.077 3.667 2.706 1.00 0.19 C ATOM 346 O TYR A 419 -3.138 4.433 2.482 1.00 0.29 O ATOM 347 CB TYR A 419 -5.002 3.715 0.402 1.00 0.16 C ATOM 348 CG TYR A 419 -6.210 3.699 -0.547 1.00 0.14 C ATOM 349 CD1 TYR A 419 -6.976 2.537 -0.732 1.00 0.12 C ATOM 350 CD2 TYR A 419 -6.587 4.832 -1.273 1.00 0.17 C ATOM 351 CE1 TYR A 419 -8.060 2.518 -1.590 1.00 0.12 C ATOM 352 CE2 TYR A 419 -7.669 4.801 -2.127 1.00 0.18 C ATOM 353 CZ TYR A 419 -8.397 3.650 -2.278 1.00 0.14 C ATOM 354 OH TYR A 419 -9.480 3.635 -3.117 1.00 0.19 O ATOM 0 H TYR A 419 -5.646 5.851 1.934 1.00 0.17 H new ATOM 0 HA TYR A 419 -6.023 2.932 2.106 1.00 0.16 H new ATOM 0 HB2 TYR A 419 -4.379 4.576 0.160 1.00 0.16 H new ATOM 0 HB3 TYR A 419 -4.401 2.825 0.217 1.00 0.16 H new ATOM 0 HD1 TYR A 419 -6.713 1.639 -0.193 1.00 0.12 H new ATOM 0 HD2 TYR A 419 -6.022 5.746 -1.163 1.00 0.17 H new ATOM 0 HE1 TYR A 419 -8.637 1.614 -1.716 1.00 0.12 H new ATOM 0 HE2 TYR A 419 -7.944 5.688 -2.679 1.00 0.18 H new ATOM 0 HH TYR A 419 -9.586 4.517 -3.530 1.00 0.19 H new ATOM 364 N ILE A 420 -4.047 2.753 3.662 1.00 0.18 N ATOM 365 CA ILE A 420 -2.825 2.485 4.382 1.00 0.18 C ATOM 366 C ILE A 420 -2.078 1.372 3.688 1.00 0.17 C ATOM 367 O ILE A 420 -2.578 0.254 3.554 1.00 0.21 O ATOM 368 CB ILE A 420 -3.052 2.114 5.861 1.00 0.22 C ATOM 369 CG1 ILE A 420 -3.584 3.326 6.612 1.00 0.32 C ATOM 370 CG2 ILE A 420 -1.743 1.634 6.500 1.00 0.26 C ATOM 371 CD1 ILE A 420 -4.740 3.028 7.525 1.00 0.32 C ATOM 0 H ILE A 420 -4.849 2.192 3.951 1.00 0.18 H new ATOM 0 HA ILE A 420 -2.244 3.407 4.381 1.00 0.18 H new ATOM 0 HB ILE A 420 -3.780 1.305 5.916 1.00 0.22 H new ATOM 0 HG12 ILE A 420 -2.774 3.759 7.199 1.00 0.32 H new ATOM 0 HG13 ILE A 420 -3.892 4.081 5.889 1.00 0.32 H new ATOM 0 HG21 ILE A 420 -1.921 1.376 7.544 1.00 0.26 H new ATOM 0 HG22 ILE A 420 -1.378 0.756 5.967 1.00 0.26 H new ATOM 0 HG23 ILE A 420 -0.998 2.428 6.444 1.00 0.26 H new ATOM 0 HD11 ILE A 420 -5.058 3.945 8.021 1.00 0.32 H new ATOM 0 HD12 ILE A 420 -5.569 2.624 6.943 1.00 0.32 H new ATOM 0 HD13 ILE A 420 -4.433 2.298 8.274 1.00 0.32 H new ATOM 383 N ILE A 421 -0.901 1.693 3.219 1.00 0.15 N ATOM 384 CA ILE A 421 -0.066 0.709 2.574 1.00 0.18 C ATOM 385 C ILE A 421 0.913 0.178 3.588 1.00 0.19 C ATOM 386 O ILE A 421 1.604 0.942 4.261 1.00 0.30 O ATOM 387 CB ILE A 421 0.702 1.269 1.367 1.00 0.19 C ATOM 388 CG1 ILE A 421 -0.281 1.699 0.272 1.00 0.20 C ATOM 389 CG2 ILE A 421 1.654 0.194 0.858 1.00 0.24 C ATOM 390 CD1 ILE A 421 0.302 2.637 -0.749 1.00 0.32 C ATOM 0 H ILE A 421 -0.497 2.628 3.271 1.00 0.15 H new ATOM 0 HA ILE A 421 -0.715 -0.080 2.194 1.00 0.18 H new ATOM 0 HB ILE A 421 1.277 2.148 1.659 1.00 0.19 H new ATOM 0 HG12 ILE A 421 -0.650 0.809 -0.238 1.00 0.20 H new ATOM 0 HG13 ILE A 421 -1.141 2.179 0.740 1.00 0.20 H new ATOM 0 HG21 ILE A 421 2.208 0.575 0.000 1.00 0.24 H new ATOM 0 HG22 ILE A 421 2.353 -0.078 1.649 1.00 0.24 H new ATOM 0 HG23 ILE A 421 1.084 -0.686 0.560 1.00 0.24 H new ATOM 0 HD11 ILE A 421 -0.459 2.891 -1.486 1.00 0.32 H new ATOM 0 HD12 ILE A 421 0.645 3.546 -0.254 1.00 0.32 H new ATOM 0 HD13 ILE A 421 1.143 2.155 -1.247 1.00 0.32 H new ATOM 402 N SER A 422 0.957 -1.120 3.692 1.00 0.14 N ATOM 403 CA SER A 422 1.748 -1.765 4.708 1.00 0.14 C ATOM 404 C SER A 422 2.874 -2.574 4.085 1.00 0.16 C ATOM 405 O SER A 422 2.685 -3.712 3.655 1.00 0.36 O ATOM 406 CB SER A 422 0.877 -2.668 5.570 1.00 0.18 C ATOM 407 OG SER A 422 -0.175 -1.947 6.198 1.00 0.88 O ATOM 0 H SER A 422 0.450 -1.760 3.080 1.00 0.14 H new ATOM 0 HA SER A 422 2.184 -0.989 5.337 1.00 0.14 H new ATOM 0 HB2 SER A 422 0.455 -3.462 4.954 1.00 0.18 H new ATOM 0 HB3 SER A 422 1.493 -3.148 6.331 1.00 0.18 H new ATOM 0 HG SER A 422 -0.949 -2.536 6.318 1.00 0.88 H new ATOM 413 N CYS A 423 4.037 -1.967 4.036 1.00 0.14 N ATOM 414 CA CYS A 423 5.229 -2.620 3.531 1.00 0.12 C ATOM 415 C CYS A 423 5.891 -3.458 4.620 1.00 0.12 C ATOM 416 O CYS A 423 6.599 -2.933 5.477 1.00 0.13 O ATOM 417 CB CYS A 423 6.208 -1.583 2.995 1.00 0.14 C ATOM 418 SG CYS A 423 5.618 -0.685 1.544 1.00 0.95 S ATOM 0 H CYS A 423 4.187 -1.006 4.344 1.00 0.14 H new ATOM 0 HA CYS A 423 4.938 -3.285 2.718 1.00 0.12 H new ATOM 0 HB2 CYS A 423 6.430 -0.867 3.786 1.00 0.14 H new ATOM 0 HB3 CYS A 423 7.145 -2.080 2.744 1.00 0.14 H new ATOM 0 HG CYS A 423 6.532 -0.706 0.620 1.00 0.95 H new ATOM 424 N HIS A 424 5.645 -4.761 4.584 1.00 0.13 N ATOM 425 CA HIS A 424 6.241 -5.688 5.547 1.00 0.15 C ATOM 426 C HIS A 424 7.564 -6.217 5.009 1.00 0.15 C ATOM 427 O HIS A 424 7.597 -6.928 4.011 1.00 0.16 O ATOM 428 CB HIS A 424 5.297 -6.860 5.827 1.00 0.18 C ATOM 429 CG HIS A 424 4.050 -6.508 6.581 1.00 0.19 C ATOM 430 ND1 HIS A 424 3.932 -6.617 7.950 1.00 0.24 N ATOM 431 CD2 HIS A 424 2.845 -6.070 6.140 1.00 0.24 C ATOM 432 CE1 HIS A 424 2.714 -6.262 8.315 1.00 0.25 C ATOM 433 NE2 HIS A 424 2.034 -5.923 7.235 1.00 0.25 N ATOM 0 H HIS A 424 5.035 -5.205 3.897 1.00 0.13 H new ATOM 0 HA HIS A 424 6.416 -5.149 6.478 1.00 0.15 H new ATOM 0 HB2 HIS A 424 5.013 -7.312 4.877 1.00 0.18 H new ATOM 0 HB3 HIS A 424 5.841 -7.618 6.390 1.00 0.18 H new ATOM 0 HD2 HIS A 424 2.574 -5.873 5.113 1.00 0.24 H new ATOM 0 HE1 HIS A 424 2.337 -6.251 9.327 1.00 0.25 H new ATOM 0 HE2 HIS A 424 1.065 -5.604 7.218 1.00 0.25 H new ATOM 442 N PRO A 425 8.667 -5.873 5.669 1.00 0.17 N ATOM 443 CA PRO A 425 10.003 -6.233 5.212 1.00 0.17 C ATOM 444 C PRO A 425 10.341 -7.690 5.434 1.00 0.18 C ATOM 445 O PRO A 425 10.068 -8.277 6.481 1.00 0.24 O ATOM 446 CB PRO A 425 10.939 -5.339 6.023 1.00 0.21 C ATOM 447 CG PRO A 425 10.124 -4.744 7.125 1.00 0.32 C ATOM 448 CD PRO A 425 8.686 -5.123 6.923 1.00 0.22 C ATOM 0 HA PRO A 425 10.090 -6.090 4.135 1.00 0.17 H new ATOM 0 HB2 PRO A 425 11.771 -5.916 6.426 1.00 0.21 H new ATOM 0 HB3 PRO A 425 11.368 -4.558 5.395 1.00 0.21 H new ATOM 0 HG2 PRO A 425 10.477 -5.104 8.092 1.00 0.32 H new ATOM 0 HG3 PRO A 425 10.231 -3.659 7.130 1.00 0.32 H new ATOM 0 HD2 PRO A 425 8.317 -5.728 7.751 1.00 0.22 H new ATOM 0 HD3 PRO A 425 8.049 -4.240 6.865 1.00 0.22 H new ATOM 456 N VAL A 426 10.938 -8.246 4.413 1.00 0.15 N ATOM 457 CA VAL A 426 11.380 -9.619 4.403 1.00 0.19 C ATOM 458 C VAL A 426 12.906 -9.648 4.432 1.00 0.20 C ATOM 459 O VAL A 426 13.554 -8.848 3.755 1.00 0.20 O ATOM 460 CB VAL A 426 10.906 -10.313 3.122 1.00 0.20 C ATOM 461 CG1 VAL A 426 11.163 -11.810 3.148 1.00 0.27 C ATOM 462 CG2 VAL A 426 9.450 -10.011 2.821 1.00 0.21 C ATOM 0 H VAL A 426 11.136 -7.748 3.545 1.00 0.15 H new ATOM 0 HA VAL A 426 10.969 -10.133 5.271 1.00 0.19 H new ATOM 0 HB VAL A 426 11.503 -9.899 2.309 1.00 0.20 H new ATOM 0 HG11 VAL A 426 10.810 -12.256 2.218 1.00 0.27 H new ATOM 0 HG12 VAL A 426 12.232 -11.994 3.255 1.00 0.27 H new ATOM 0 HG13 VAL A 426 10.632 -12.256 3.989 1.00 0.27 H new ATOM 0 HG21 VAL A 426 9.154 -10.522 1.905 1.00 0.21 H new ATOM 0 HG22 VAL A 426 8.828 -10.357 3.647 1.00 0.21 H new ATOM 0 HG23 VAL A 426 9.320 -8.936 2.695 1.00 0.21 H new ATOM 472 N GLY A 427 13.476 -10.541 5.216 1.00 0.26 N ATOM 473 CA GLY A 427 14.926 -10.633 5.302 1.00 0.29 C ATOM 474 C GLY A 427 15.448 -9.948 6.543 1.00 0.32 C ATOM 475 O GLY A 427 16.359 -10.437 7.206 1.00 0.38 O ATOM 0 H GLY A 427 12.968 -11.207 5.798 1.00 0.26 H new ATOM 0 HA2 GLY A 427 15.226 -11.681 5.309 1.00 0.29 H new ATOM 0 HA3 GLY A 427 15.374 -10.179 4.418 1.00 0.29 H new ATOM 479 N THR A 428 14.854 -8.811 6.852 1.00 0.31 N ATOM 480 CA THR A 428 15.190 -8.062 8.042 1.00 0.37 C ATOM 481 C THR A 428 14.167 -8.281 9.132 1.00 0.41 C ATOM 482 O THR A 428 13.180 -8.998 8.949 1.00 0.41 O ATOM 483 CB THR A 428 15.231 -6.563 7.761 1.00 0.37 C ATOM 484 OG1 THR A 428 14.179 -6.207 6.851 1.00 0.30 O ATOM 485 CG2 THR A 428 16.575 -6.136 7.196 1.00 0.42 C ATOM 0 H THR A 428 14.124 -8.382 6.283 1.00 0.31 H new ATOM 0 HA THR A 428 16.170 -8.417 8.360 1.00 0.37 H new ATOM 0 HB THR A 428 15.087 -6.041 8.707 1.00 0.37 H new ATOM 0 HG1 THR A 428 14.210 -5.243 6.676 1.00 0.30 H new ATOM 0 HG21 THR A 428 16.566 -5.062 7.009 1.00 0.42 H new ATOM 0 HG22 THR A 428 17.362 -6.373 7.911 1.00 0.42 H new ATOM 0 HG23 THR A 428 16.762 -6.666 6.262 1.00 0.42 H new ATOM 493 N ASP A 429 14.408 -7.650 10.265 1.00 0.48 N ATOM 494 CA ASP A 429 13.439 -7.616 11.336 1.00 0.54 C ATOM 495 C ASP A 429 12.831 -6.238 11.433 1.00 0.49 C ATOM 496 O ASP A 429 12.350 -5.835 12.494 1.00 0.59 O ATOM 497 CB ASP A 429 14.063 -7.959 12.675 1.00 0.69 C ATOM 498 CG ASP A 429 14.682 -9.340 12.706 1.00 1.09 C ATOM 499 OD1 ASP A 429 14.008 -10.292 13.152 1.00 1.06 O ATOM 500 OD2 ASP A 429 15.850 -9.486 12.286 1.00 1.78 O ATOM 0 H ASP A 429 15.275 -7.151 10.465 1.00 0.48 H new ATOM 0 HA ASP A 429 12.677 -8.360 11.105 1.00 0.54 H new ATOM 0 HB2 ASP A 429 14.828 -7.219 12.913 1.00 0.69 H new ATOM 0 HB3 ASP A 429 13.301 -7.891 13.452 1.00 0.69 H new ATOM 505 N GLU A 430 12.884 -5.506 10.335 1.00 0.40 N ATOM 506 CA GLU A 430 12.327 -4.180 10.298 1.00 0.38 C ATOM 507 C GLU A 430 10.840 -4.214 10.439 1.00 0.31 C ATOM 508 O GLU A 430 10.196 -5.258 10.308 1.00 0.33 O ATOM 509 CB GLU A 430 12.701 -3.460 9.013 1.00 0.38 C ATOM 510 CG GLU A 430 14.161 -3.095 8.919 1.00 0.48 C ATOM 511 CD GLU A 430 14.690 -2.435 10.172 1.00 1.58 C ATOM 512 OE1 GLU A 430 15.355 -3.121 10.976 1.00 2.50 O ATOM 513 OE2 GLU A 430 14.434 -1.229 10.365 1.00 1.64 O ATOM 0 H GLU A 430 13.309 -5.814 9.460 1.00 0.40 H new ATOM 0 HA GLU A 430 12.748 -3.633 11.141 1.00 0.38 H new ATOM 0 HB2 GLU A 430 12.439 -4.092 8.165 1.00 0.38 H new ATOM 0 HB3 GLU A 430 12.104 -2.552 8.930 1.00 0.38 H new ATOM 0 HG2 GLU A 430 14.742 -3.995 8.717 1.00 0.48 H new ATOM 0 HG3 GLU A 430 14.308 -2.424 8.073 1.00 0.48 H new ATOM 520 N GLU A 431 10.302 -3.058 10.700 1.00 0.29 N ATOM 521 CA GLU A 431 8.917 -2.939 10.976 1.00 0.26 C ATOM 522 C GLU A 431 8.195 -2.535 9.702 1.00 0.24 C ATOM 523 O GLU A 431 8.778 -1.925 8.809 1.00 0.26 O ATOM 524 CB GLU A 431 8.703 -1.931 12.097 1.00 0.29 C ATOM 525 CG GLU A 431 8.583 -0.509 11.609 1.00 0.63 C ATOM 526 CD GLU A 431 8.244 0.466 12.717 1.00 0.87 C ATOM 527 OE1 GLU A 431 9.151 0.827 13.493 1.00 1.11 O ATOM 528 OE2 GLU A 431 7.069 0.875 12.823 1.00 1.05 O ATOM 0 H GLU A 431 10.818 -2.178 10.725 1.00 0.29 H new ATOM 0 HA GLU A 431 8.509 -3.892 11.312 1.00 0.26 H new ATOM 0 HB2 GLU A 431 7.800 -2.196 12.646 1.00 0.29 H new ATOM 0 HB3 GLU A 431 9.534 -1.997 12.799 1.00 0.29 H new ATOM 0 HG2 GLU A 431 9.522 -0.210 11.143 1.00 0.63 H new ATOM 0 HG3 GLU A 431 7.814 -0.458 10.839 1.00 0.63 H new ATOM 535 N PRO A 432 6.931 -2.911 9.603 1.00 0.23 N ATOM 536 CA PRO A 432 6.113 -2.626 8.440 1.00 0.21 C ATOM 537 C PRO A 432 5.878 -1.136 8.274 1.00 0.20 C ATOM 538 O PRO A 432 5.296 -0.478 9.140 1.00 0.24 O ATOM 539 CB PRO A 432 4.800 -3.371 8.703 1.00 0.24 C ATOM 540 CG PRO A 432 4.803 -3.720 10.158 1.00 0.23 C ATOM 541 CD PRO A 432 6.223 -3.631 10.646 1.00 0.24 C ATOM 0 HA PRO A 432 6.592 -2.946 7.515 1.00 0.21 H new ATOM 0 HB2 PRO A 432 3.942 -2.747 8.454 1.00 0.24 H new ATOM 0 HB3 PRO A 432 4.731 -4.268 8.088 1.00 0.24 H new ATOM 0 HG2 PRO A 432 4.163 -3.037 10.717 1.00 0.23 H new ATOM 0 HG3 PRO A 432 4.408 -4.724 10.311 1.00 0.23 H new ATOM 0 HD2 PRO A 432 6.281 -3.105 11.599 1.00 0.24 H new ATOM 0 HD3 PRO A 432 6.650 -4.622 10.802 1.00 0.24 H new ATOM 549 N LEU A 433 6.335 -0.624 7.149 1.00 0.20 N ATOM 550 CA LEU A 433 6.232 0.774 6.831 1.00 0.20 C ATOM 551 C LEU A 433 4.831 1.051 6.370 1.00 0.20 C ATOM 552 O LEU A 433 4.297 0.338 5.521 1.00 0.30 O ATOM 553 CB LEU A 433 7.222 1.150 5.735 1.00 0.22 C ATOM 554 CG LEU A 433 8.636 1.461 6.207 1.00 0.24 C ATOM 555 CD1 LEU A 433 9.375 0.189 6.570 1.00 0.65 C ATOM 556 CD2 LEU A 433 9.397 2.251 5.152 1.00 0.73 C ATOM 0 H LEU A 433 6.793 -1.179 6.426 1.00 0.20 H new ATOM 0 HA LEU A 433 6.465 1.368 7.715 1.00 0.20 H new ATOM 0 HB2 LEU A 433 7.269 0.332 5.016 1.00 0.22 H new ATOM 0 HB3 LEU A 433 6.836 2.020 5.203 1.00 0.22 H new ATOM 0 HG LEU A 433 8.567 2.077 7.104 1.00 0.24 H new ATOM 0 HD11 LEU A 433 10.383 0.436 6.904 1.00 0.65 H new ATOM 0 HD12 LEU A 433 8.843 -0.325 7.371 1.00 0.65 H new ATOM 0 HD13 LEU A 433 9.432 -0.461 5.697 1.00 0.65 H new ATOM 0 HD21 LEU A 433 10.404 2.462 5.511 1.00 0.73 H new ATOM 0 HD22 LEU A 433 9.454 1.669 4.232 1.00 0.73 H new ATOM 0 HD23 LEU A 433 8.878 3.189 4.956 1.00 0.73 H new ATOM 568 N GLN A 434 4.236 2.068 6.927 1.00 0.17 N ATOM 569 CA GLN A 434 2.845 2.321 6.675 1.00 0.17 C ATOM 570 C GLN A 434 2.628 3.690 6.108 1.00 0.20 C ATOM 571 O GLN A 434 2.869 4.715 6.746 1.00 0.27 O ATOM 572 CB GLN A 434 2.036 2.089 7.927 1.00 0.18 C ATOM 573 CG GLN A 434 1.958 0.619 8.249 1.00 0.21 C ATOM 574 CD GLN A 434 1.388 0.337 9.627 1.00 0.38 C ATOM 575 OE1 GLN A 434 1.575 1.122 10.558 1.00 1.26 O ATOM 576 NE2 GLN A 434 0.675 -0.770 9.772 1.00 0.74 N ATOM 0 H GLN A 434 4.689 2.732 7.555 1.00 0.17 H new ATOM 0 HA GLN A 434 2.498 1.616 5.919 1.00 0.17 H new ATOM 0 HB2 GLN A 434 2.487 2.625 8.762 1.00 0.18 H new ATOM 0 HB3 GLN A 434 1.031 2.491 7.796 1.00 0.18 H new ATOM 0 HG2 GLN A 434 1.342 0.122 7.500 1.00 0.21 H new ATOM 0 HG3 GLN A 434 2.956 0.185 8.180 1.00 0.21 H new ATOM 0 HE21 GLN A 434 0.540 -1.397 8.979 1.00 0.74 H new ATOM 0 HE22 GLN A 434 0.260 -0.995 10.676 1.00 0.74 H new ATOM 585 N PHE A 435 2.166 3.670 4.892 1.00 0.20 N ATOM 586 CA PHE A 435 1.951 4.884 4.132 1.00 0.23 C ATOM 587 C PHE A 435 0.470 5.164 4.007 1.00 0.21 C ATOM 588 O PHE A 435 -0.303 4.310 3.580 1.00 0.24 O ATOM 589 CB PHE A 435 2.588 4.772 2.747 1.00 0.25 C ATOM 590 CG PHE A 435 4.082 4.610 2.776 1.00 0.31 C ATOM 591 CD1 PHE A 435 4.657 3.353 2.857 1.00 0.36 C ATOM 592 CD2 PHE A 435 4.912 5.719 2.720 1.00 0.38 C ATOM 593 CE1 PHE A 435 6.031 3.207 2.887 1.00 0.43 C ATOM 594 CE2 PHE A 435 6.286 5.578 2.749 1.00 0.46 C ATOM 595 CZ PHE A 435 6.843 4.294 2.829 1.00 0.47 C ATOM 0 H PHE A 435 1.925 2.815 4.391 1.00 0.20 H new ATOM 0 HA PHE A 435 2.423 5.712 4.661 1.00 0.23 H new ATOM 0 HB2 PHE A 435 2.150 3.922 2.224 1.00 0.25 H new ATOM 0 HB3 PHE A 435 2.340 5.663 2.170 1.00 0.25 H new ATOM 0 HD1 PHE A 435 4.025 2.478 2.897 1.00 0.36 H new ATOM 0 HD2 PHE A 435 4.479 6.706 2.653 1.00 0.38 H new ATOM 0 HE1 PHE A 435 6.463 2.220 2.957 1.00 0.43 H new ATOM 0 HE2 PHE A 435 6.925 6.448 2.710 1.00 0.46 H new ATOM 0 HZ PHE A 435 7.916 4.170 2.844 1.00 0.47 H new ATOM 605 N ARG A 436 0.086 6.361 4.391 1.00 0.22 N ATOM 606 CA ARG A 436 -1.309 6.749 4.412 1.00 0.21 C ATOM 607 C ARG A 436 -1.591 7.819 3.371 1.00 0.19 C ATOM 608 O ARG A 436 -1.150 8.960 3.501 1.00 0.27 O ATOM 609 CB ARG A 436 -1.681 7.260 5.798 1.00 0.27 C ATOM 610 CG ARG A 436 -2.034 6.144 6.758 1.00 0.72 C ATOM 611 CD ARG A 436 -1.974 6.582 8.203 1.00 0.74 C ATOM 612 NE ARG A 436 -2.864 7.706 8.483 1.00 1.52 N ATOM 613 CZ ARG A 436 -2.736 8.504 9.541 1.00 2.15 C ATOM 614 NH1 ARG A 436 -1.740 8.317 10.402 1.00 2.32 N ATOM 615 NH2 ARG A 436 -3.596 9.491 9.738 1.00 3.14 N ATOM 0 H ARG A 436 0.729 7.092 4.697 1.00 0.22 H new ATOM 0 HA ARG A 436 -1.914 5.874 4.174 1.00 0.21 H new ATOM 0 HB2 ARG A 436 -0.848 7.833 6.205 1.00 0.27 H new ATOM 0 HB3 ARG A 436 -2.527 7.942 5.714 1.00 0.27 H new ATOM 0 HG2 ARG A 436 -3.037 5.780 6.534 1.00 0.72 H new ATOM 0 HG3 ARG A 436 -1.350 5.309 6.606 1.00 0.72 H new ATOM 0 HD2 ARG A 436 -2.241 5.743 8.845 1.00 0.74 H new ATOM 0 HD3 ARG A 436 -0.951 6.862 8.453 1.00 0.74 H new ATOM 0 HE ARG A 436 -3.627 7.890 7.831 1.00 1.52 H new ATOM 0 HH11 ARG A 436 -1.072 7.561 10.253 1.00 2.32 H new ATOM 0 HH12 ARG A 436 -1.644 8.930 11.212 1.00 2.32 H new ATOM 0 HH21 ARG A 436 -4.359 9.642 9.078 1.00 3.14 H new ATOM 0 HH22 ARG A 436 -3.495 10.101 10.549 1.00 3.14 H new ATOM 629 N VAL A 437 -2.320 7.446 2.336 1.00 0.17 N ATOM 630 CA VAL A 437 -2.684 8.369 1.279 1.00 0.16 C ATOM 631 C VAL A 437 -4.186 8.558 1.239 1.00 0.16 C ATOM 632 O VAL A 437 -4.951 7.745 1.770 1.00 0.17 O ATOM 633 CB VAL A 437 -2.175 7.907 -0.106 1.00 0.16 C ATOM 634 CG1 VAL A 437 -0.658 7.802 -0.110 1.00 0.20 C ATOM 635 CG2 VAL A 437 -2.810 6.587 -0.520 1.00 0.14 C ATOM 0 H VAL A 437 -2.675 6.499 2.205 1.00 0.17 H new ATOM 0 HA VAL A 437 -2.201 9.320 1.505 1.00 0.16 H new ATOM 0 HB VAL A 437 -2.471 8.658 -0.838 1.00 0.16 H new ATOM 0 HG11 VAL A 437 -0.318 7.476 -1.093 1.00 0.20 H new ATOM 0 HG12 VAL A 437 -0.225 8.776 0.118 1.00 0.20 H new ATOM 0 HG13 VAL A 437 -0.341 7.079 0.642 1.00 0.20 H new ATOM 0 HG21 VAL A 437 -2.430 6.291 -1.498 1.00 0.14 H new ATOM 0 HG22 VAL A 437 -2.563 5.819 0.213 1.00 0.14 H new ATOM 0 HG23 VAL A 437 -3.892 6.704 -0.571 1.00 0.14 H new ATOM 645 N PRO A 438 -4.596 9.676 0.654 1.00 0.17 N ATOM 646 CA PRO A 438 -6.002 10.055 0.505 1.00 0.18 C ATOM 647 C PRO A 438 -6.834 8.924 -0.107 1.00 0.16 C ATOM 648 O PRO A 438 -6.373 8.217 -1.003 1.00 0.14 O ATOM 649 CB PRO A 438 -5.913 11.268 -0.448 1.00 0.19 C ATOM 650 CG PRO A 438 -4.578 11.853 -0.136 1.00 0.21 C ATOM 651 CD PRO A 438 -3.686 10.686 0.106 1.00 0.19 C ATOM 0 HA PRO A 438 -6.494 10.275 1.452 1.00 0.18 H new ATOM 0 HB2 PRO A 438 -5.985 10.965 -1.493 1.00 0.19 H new ATOM 0 HB3 PRO A 438 -6.717 11.981 -0.267 1.00 0.19 H new ATOM 0 HG2 PRO A 438 -4.213 12.463 -0.962 1.00 0.21 H new ATOM 0 HG3 PRO A 438 -4.627 12.500 0.740 1.00 0.21 H new ATOM 0 HD2 PRO A 438 -3.212 10.344 -0.814 1.00 0.19 H new ATOM 0 HD3 PRO A 438 -2.886 10.929 0.805 1.00 0.19 H new ATOM 659 N GLY A 439 -8.060 8.767 0.378 1.00 0.19 N ATOM 660 CA GLY A 439 -8.879 7.629 0.019 1.00 0.20 C ATOM 661 C GLY A 439 -9.347 7.611 -1.423 1.00 0.18 C ATOM 662 O GLY A 439 -9.902 6.611 -1.877 1.00 0.20 O ATOM 0 H GLY A 439 -8.505 9.420 1.023 1.00 0.19 H new ATOM 0 HA2 GLY A 439 -8.315 6.717 0.214 1.00 0.20 H new ATOM 0 HA3 GLY A 439 -9.753 7.609 0.670 1.00 0.20 H new ATOM 666 N THR A 440 -9.173 8.701 -2.144 1.00 0.16 N ATOM 667 CA THR A 440 -9.554 8.722 -3.542 1.00 0.18 C ATOM 668 C THR A 440 -8.341 8.431 -4.440 1.00 0.16 C ATOM 669 O THR A 440 -8.491 8.078 -5.613 1.00 0.19 O ATOM 670 CB THR A 440 -10.178 10.075 -3.926 1.00 0.24 C ATOM 671 OG1 THR A 440 -9.343 11.149 -3.473 1.00 0.27 O ATOM 672 CG2 THR A 440 -11.566 10.218 -3.321 1.00 0.29 C ATOM 0 H THR A 440 -8.776 9.572 -1.792 1.00 0.16 H new ATOM 0 HA THR A 440 -10.300 7.942 -3.693 1.00 0.18 H new ATOM 0 HB THR A 440 -10.263 10.116 -5.012 1.00 0.24 H new ATOM 0 HG1 THR A 440 -9.747 12.006 -3.723 1.00 0.27 H new ATOM 0 HG21 THR A 440 -11.989 11.182 -3.605 1.00 0.29 H new ATOM 0 HG22 THR A 440 -12.208 9.417 -3.689 1.00 0.29 H new ATOM 0 HG23 THR A 440 -11.497 10.158 -2.235 1.00 0.29 H new ATOM 680 N SER A 441 -7.139 8.591 -3.872 1.00 0.13 N ATOM 681 CA SER A 441 -5.890 8.334 -4.578 1.00 0.12 C ATOM 682 C SER A 441 -5.759 6.867 -4.981 1.00 0.11 C ATOM 683 O SER A 441 -6.186 5.977 -4.258 1.00 0.12 O ATOM 684 CB SER A 441 -4.723 8.724 -3.676 1.00 0.13 C ATOM 685 OG SER A 441 -4.782 10.099 -3.341 1.00 0.16 O ATOM 0 H SER A 441 -7.011 8.903 -2.909 1.00 0.13 H new ATOM 0 HA SER A 441 -5.883 8.929 -5.491 1.00 0.12 H new ATOM 0 HB2 SER A 441 -4.744 8.123 -2.767 1.00 0.13 H new ATOM 0 HB3 SER A 441 -3.781 8.508 -4.180 1.00 0.13 H new ATOM 0 HG SER A 441 -3.949 10.364 -2.898 1.00 0.16 H new ATOM 691 N THR A 442 -5.164 6.621 -6.137 1.00 0.10 N ATOM 692 CA THR A 442 -4.986 5.261 -6.616 1.00 0.12 C ATOM 693 C THR A 442 -3.517 4.970 -6.922 1.00 0.13 C ATOM 694 O THR A 442 -3.187 3.988 -7.584 1.00 0.16 O ATOM 695 CB THR A 442 -5.873 4.980 -7.846 1.00 0.13 C ATOM 696 OG1 THR A 442 -5.767 6.057 -8.790 1.00 0.14 O ATOM 697 CG2 THR A 442 -7.326 4.807 -7.416 1.00 0.17 C ATOM 0 H THR A 442 -4.798 7.342 -6.758 1.00 0.10 H new ATOM 0 HA THR A 442 -5.301 4.588 -5.818 1.00 0.12 H new ATOM 0 HB THR A 442 -5.532 4.060 -8.320 1.00 0.13 H new ATOM 0 HG1 THR A 442 -6.333 5.867 -9.567 1.00 0.14 H new ATOM 0 HG21 THR A 442 -7.944 4.609 -8.292 1.00 0.17 H new ATOM 0 HG22 THR A 442 -7.403 3.970 -6.721 1.00 0.17 H new ATOM 0 HG23 THR A 442 -7.672 5.718 -6.927 1.00 0.17 H new ATOM 705 N SER A 443 -2.643 5.835 -6.423 1.00 0.12 N ATOM 706 CA SER A 443 -1.209 5.675 -6.597 1.00 0.15 C ATOM 707 C SER A 443 -0.457 6.441 -5.514 1.00 0.15 C ATOM 708 O SER A 443 -0.918 7.485 -5.049 1.00 0.19 O ATOM 709 CB SER A 443 -0.779 6.143 -7.991 1.00 0.17 C ATOM 710 OG SER A 443 -1.364 7.396 -8.317 1.00 1.08 O ATOM 0 H SER A 443 -2.909 6.663 -5.889 1.00 0.12 H new ATOM 0 HA SER A 443 -0.964 4.617 -6.505 1.00 0.15 H new ATOM 0 HB2 SER A 443 0.307 6.225 -8.031 1.00 0.17 H new ATOM 0 HB3 SER A 443 -1.070 5.399 -8.733 1.00 0.17 H new ATOM 0 HG SER A 443 -1.071 7.671 -9.211 1.00 1.08 H new ATOM 716 N ALA A 444 0.677 5.903 -5.100 1.00 0.14 N ATOM 717 CA ALA A 444 1.493 6.520 -4.065 1.00 0.15 C ATOM 718 C ALA A 444 2.946 6.247 -4.278 1.00 0.16 C ATOM 719 O ALA A 444 3.358 5.129 -4.577 1.00 0.15 O ATOM 720 CB ALA A 444 1.083 6.039 -2.687 1.00 0.16 C ATOM 0 H ALA A 444 1.058 5.031 -5.468 1.00 0.14 H new ATOM 0 HA ALA A 444 1.328 7.596 -4.129 1.00 0.15 H new ATOM 0 HB1 ALA A 444 1.710 6.516 -1.934 1.00 0.16 H new ATOM 0 HB2 ALA A 444 0.039 6.297 -2.507 1.00 0.16 H new ATOM 0 HB3 ALA A 444 1.205 4.957 -2.628 1.00 0.16 H new ATOM 726 N THR A 445 3.699 7.302 -4.154 1.00 0.24 N ATOM 727 CA THR A 445 5.123 7.225 -4.141 1.00 0.25 C ATOM 728 C THR A 445 5.614 6.932 -2.742 1.00 0.26 C ATOM 729 O THR A 445 5.497 7.751 -1.827 1.00 0.33 O ATOM 730 CB THR A 445 5.711 8.533 -4.636 1.00 0.31 C ATOM 731 OG1 THR A 445 5.349 8.747 -6.010 1.00 0.34 O ATOM 732 CG2 THR A 445 7.225 8.538 -4.480 1.00 0.34 C ATOM 0 H THR A 445 3.332 8.249 -4.058 1.00 0.24 H new ATOM 0 HA THR A 445 5.443 6.418 -4.800 1.00 0.25 H new ATOM 0 HB THR A 445 5.305 9.345 -4.033 1.00 0.31 H new ATOM 0 HG1 THR A 445 5.680 8.003 -6.555 1.00 0.34 H new ATOM 0 HG21 THR A 445 7.625 9.485 -4.841 1.00 0.34 H new ATOM 0 HG22 THR A 445 7.483 8.413 -3.428 1.00 0.34 H new ATOM 0 HG23 THR A 445 7.653 7.719 -5.058 1.00 0.34 H new ATOM 740 N LEU A 446 6.149 5.750 -2.595 1.00 0.22 N ATOM 741 CA LEU A 446 6.568 5.257 -1.299 1.00 0.25 C ATOM 742 C LEU A 446 8.031 5.560 -1.013 1.00 0.24 C ATOM 743 O LEU A 446 8.928 4.813 -1.402 1.00 0.23 O ATOM 744 CB LEU A 446 6.268 3.741 -1.188 1.00 0.25 C ATOM 745 CG LEU A 446 4.895 3.371 -0.568 1.00 0.32 C ATOM 746 CD1 LEU A 446 3.781 4.202 -1.181 1.00 0.65 C ATOM 747 CD2 LEU A 446 4.602 1.891 -0.771 1.00 0.59 C ATOM 0 H LEU A 446 6.309 5.099 -3.364 1.00 0.22 H new ATOM 0 HA LEU A 446 5.993 5.784 -0.537 1.00 0.25 H new ATOM 0 HB2 LEU A 446 6.325 3.304 -2.185 1.00 0.25 H new ATOM 0 HB3 LEU A 446 7.053 3.277 -0.591 1.00 0.25 H new ATOM 0 HG LEU A 446 4.941 3.584 0.500 1.00 0.32 H new ATOM 0 HD11 LEU A 446 2.829 3.924 -0.730 1.00 0.65 H new ATOM 0 HD12 LEU A 446 3.973 5.259 -0.999 1.00 0.65 H new ATOM 0 HD13 LEU A 446 3.740 4.020 -2.255 1.00 0.65 H new ATOM 0 HD21 LEU A 446 3.635 1.648 -0.330 1.00 0.59 H new ATOM 0 HD22 LEU A 446 4.581 1.667 -1.838 1.00 0.59 H new ATOM 0 HD23 LEU A 446 5.379 1.297 -0.291 1.00 0.59 H new ATOM 759 N THR A 447 8.251 6.675 -0.326 1.00 0.30 N ATOM 760 CA THR A 447 9.582 7.084 0.100 1.00 0.30 C ATOM 761 C THR A 447 9.962 6.435 1.430 1.00 0.29 C ATOM 762 O THR A 447 9.232 6.543 2.416 1.00 0.36 O ATOM 763 CB THR A 447 9.653 8.608 0.291 1.00 0.39 C ATOM 764 OG1 THR A 447 8.334 9.174 0.219 1.00 0.86 O ATOM 765 CG2 THR A 447 10.557 9.268 -0.727 1.00 0.60 C ATOM 0 H THR A 447 7.511 7.320 -0.049 1.00 0.30 H new ATOM 0 HA THR A 447 10.272 6.766 -0.682 1.00 0.30 H new ATOM 0 HB THR A 447 10.079 8.795 1.276 1.00 0.39 H new ATOM 0 HG1 THR A 447 8.387 10.145 0.343 1.00 0.86 H new ATOM 0 HG21 THR A 447 10.576 10.344 -0.553 1.00 0.60 H new ATOM 0 HG22 THR A 447 11.566 8.867 -0.632 1.00 0.60 H new ATOM 0 HG23 THR A 447 10.181 9.069 -1.731 1.00 0.60 H new ATOM 773 N GLY A 448 11.104 5.778 1.455 1.00 0.30 N ATOM 774 CA GLY A 448 11.628 5.240 2.700 1.00 0.38 C ATOM 775 C GLY A 448 12.110 3.812 2.570 1.00 0.30 C ATOM 776 O GLY A 448 12.944 3.360 3.354 1.00 0.38 O ATOM 0 H GLY A 448 11.685 5.603 0.635 1.00 0.30 H new ATOM 0 HA2 GLY A 448 12.452 5.866 3.042 1.00 0.38 H new ATOM 0 HA3 GLY A 448 10.853 5.288 3.465 1.00 0.38 H new ATOM 780 N LEU A 449 11.585 3.099 1.581 1.00 0.28 N ATOM 781 CA LEU A 449 11.961 1.717 1.350 1.00 0.25 C ATOM 782 C LEU A 449 13.454 1.577 1.098 1.00 0.25 C ATOM 783 O LEU A 449 14.026 2.252 0.239 1.00 0.34 O ATOM 784 CB LEU A 449 11.162 1.136 0.186 1.00 0.24 C ATOM 785 CG LEU A 449 9.648 1.099 0.395 1.00 0.21 C ATOM 786 CD1 LEU A 449 8.951 0.577 -0.846 1.00 0.27 C ATOM 787 CD2 LEU A 449 9.297 0.224 1.579 1.00 0.23 C ATOM 0 H LEU A 449 10.894 3.461 0.924 1.00 0.28 H new ATOM 0 HA LEU A 449 11.727 1.153 2.253 1.00 0.25 H new ATOM 0 HB2 LEU A 449 11.376 1.720 -0.709 1.00 0.24 H new ATOM 0 HB3 LEU A 449 11.512 0.121 -0.005 1.00 0.24 H new ATOM 0 HG LEU A 449 9.310 2.116 0.591 1.00 0.21 H new ATOM 0 HD11 LEU A 449 7.874 0.558 -0.678 1.00 0.27 H new ATOM 0 HD12 LEU A 449 9.175 1.229 -1.690 1.00 0.27 H new ATOM 0 HD13 LEU A 449 9.302 -0.432 -1.063 1.00 0.27 H new ATOM 0 HD21 LEU A 449 8.215 0.210 1.713 1.00 0.23 H new ATOM 0 HD22 LEU A 449 9.654 -0.790 1.400 1.00 0.23 H new ATOM 0 HD23 LEU A 449 9.768 0.622 2.478 1.00 0.23 H new ATOM 799 N THR A 450 14.075 0.712 1.880 1.00 0.22 N ATOM 800 CA THR A 450 15.496 0.457 1.777 1.00 0.23 C ATOM 801 C THR A 450 15.789 -0.524 0.674 1.00 0.22 C ATOM 802 O THR A 450 15.467 -1.708 0.746 1.00 0.38 O ATOM 803 CB THR A 450 16.043 -0.067 3.113 1.00 0.27 C ATOM 804 OG1 THR A 450 15.654 0.823 4.167 1.00 0.32 O ATOM 805 CG2 THR A 450 17.560 -0.199 3.091 1.00 0.34 C ATOM 0 H THR A 450 13.606 0.168 2.604 1.00 0.22 H new ATOM 0 HA THR A 450 15.992 1.397 1.537 1.00 0.23 H new ATOM 0 HB THR A 450 15.625 -1.059 3.282 1.00 0.27 H new ATOM 0 HG1 THR A 450 16.000 0.490 5.021 1.00 0.32 H new ATOM 0 HG21 THR A 450 17.907 -0.572 4.055 1.00 0.34 H new ATOM 0 HG22 THR A 450 17.853 -0.895 2.305 1.00 0.34 H new ATOM 0 HG23 THR A 450 18.007 0.776 2.898 1.00 0.34 H new ATOM 813 N ARG A 451 16.358 0.026 -0.365 1.00 0.29 N ATOM 814 CA ARG A 451 16.836 -0.736 -1.492 1.00 0.26 C ATOM 815 C ARG A 451 17.742 -1.867 -1.062 1.00 0.26 C ATOM 816 O ARG A 451 18.688 -1.696 -0.291 1.00 0.30 O ATOM 817 CB ARG A 451 17.530 0.190 -2.470 1.00 0.31 C ATOM 818 CG ARG A 451 18.688 0.915 -1.842 1.00 0.32 C ATOM 819 CD ARG A 451 19.140 2.082 -2.686 1.00 0.43 C ATOM 820 NE ARG A 451 19.987 1.665 -3.801 1.00 1.32 N ATOM 821 CZ ARG A 451 20.183 2.384 -4.905 1.00 1.75 C ATOM 822 NH1 ARG A 451 19.533 3.528 -5.085 1.00 1.39 N ATOM 823 NH2 ARG A 451 21.018 1.953 -5.839 1.00 2.70 N ATOM 0 H ARG A 451 16.506 1.031 -0.456 1.00 0.29 H new ATOM 0 HA ARG A 451 15.981 -1.197 -1.987 1.00 0.26 H new ATOM 0 HB2 ARG A 451 17.885 -0.387 -3.324 1.00 0.31 H new ATOM 0 HB3 ARG A 451 16.813 0.916 -2.851 1.00 0.31 H new ATOM 0 HG2 ARG A 451 18.401 1.271 -0.853 1.00 0.32 H new ATOM 0 HG3 ARG A 451 19.519 0.223 -1.703 1.00 0.32 H new ATOM 0 HD2 ARG A 451 18.267 2.608 -3.073 1.00 0.43 H new ATOM 0 HD3 ARG A 451 19.687 2.789 -2.062 1.00 0.43 H new ATOM 0 HE ARG A 451 20.459 0.764 -3.729 1.00 1.32 H new ATOM 0 HH11 ARG A 451 18.880 3.860 -4.376 1.00 1.39 H new ATOM 0 HH12 ARG A 451 19.687 4.074 -5.932 1.00 1.39 H new ATOM 0 HH21 ARG A 451 21.512 1.069 -5.713 1.00 2.70 H new ATOM 0 HH22 ARG A 451 21.167 2.505 -6.684 1.00 2.70 H new ATOM 837 N GLY A 452 17.403 -3.032 -1.559 1.00 0.28 N ATOM 838 CA GLY A 452 18.103 -4.234 -1.229 1.00 0.34 C ATOM 839 C GLY A 452 17.349 -5.049 -0.202 1.00 0.32 C ATOM 840 O GLY A 452 17.760 -6.149 0.172 1.00 0.41 O ATOM 0 H GLY A 452 16.627 -3.166 -2.208 1.00 0.28 H new ATOM 0 HA2 GLY A 452 18.251 -4.829 -2.130 1.00 0.34 H new ATOM 0 HA3 GLY A 452 19.092 -3.986 -0.844 1.00 0.34 H new ATOM 844 N ALA A 453 16.235 -4.494 0.254 1.00 0.32 N ATOM 845 CA ALA A 453 15.354 -5.174 1.183 1.00 0.31 C ATOM 846 C ALA A 453 14.026 -5.439 0.531 1.00 0.27 C ATOM 847 O ALA A 453 13.463 -4.599 -0.174 1.00 0.35 O ATOM 848 CB ALA A 453 15.179 -4.360 2.458 1.00 0.32 C ATOM 0 H ALA A 453 15.920 -3.561 -0.011 1.00 0.32 H new ATOM 0 HA ALA A 453 15.805 -6.128 1.457 1.00 0.31 H new ATOM 0 HB1 ALA A 453 14.514 -4.890 3.140 1.00 0.32 H new ATOM 0 HB2 ALA A 453 16.149 -4.217 2.935 1.00 0.32 H new ATOM 0 HB3 ALA A 453 14.749 -3.389 2.213 1.00 0.32 H new ATOM 854 N THR A 454 13.579 -6.645 0.735 1.00 0.23 N ATOM 855 CA THR A 454 12.316 -7.101 0.240 1.00 0.21 C ATOM 856 C THR A 454 11.178 -6.580 1.107 1.00 0.17 C ATOM 857 O THR A 454 11.249 -6.633 2.334 1.00 0.19 O ATOM 858 CB THR A 454 12.323 -8.624 0.252 1.00 0.22 C ATOM 859 OG1 THR A 454 13.279 -9.126 -0.680 1.00 0.29 O ATOM 860 CG2 THR A 454 10.953 -9.190 -0.085 1.00 0.24 C ATOM 0 H THR A 454 14.094 -7.351 1.261 1.00 0.23 H new ATOM 0 HA THR A 454 12.163 -6.729 -0.773 1.00 0.21 H new ATOM 0 HB THR A 454 12.592 -8.939 1.260 1.00 0.22 H new ATOM 0 HG1 THR A 454 13.012 -8.877 -1.589 1.00 0.29 H new ATOM 0 HG21 THR A 454 10.995 -10.279 -0.067 1.00 0.24 H new ATOM 0 HG22 THR A 454 10.225 -8.843 0.649 1.00 0.24 H new ATOM 0 HG23 THR A 454 10.655 -8.855 -1.078 1.00 0.24 H new ATOM 868 N TYR A 455 10.144 -6.059 0.472 1.00 0.16 N ATOM 869 CA TYR A 455 8.972 -5.589 1.184 1.00 0.16 C ATOM 870 C TYR A 455 7.714 -6.226 0.617 1.00 0.13 C ATOM 871 O TYR A 455 7.445 -6.131 -0.581 1.00 0.15 O ATOM 872 CB TYR A 455 8.859 -4.062 1.101 1.00 0.23 C ATOM 873 CG TYR A 455 9.978 -3.320 1.801 1.00 0.22 C ATOM 874 CD1 TYR A 455 9.921 -3.061 3.164 1.00 0.20 C ATOM 875 CD2 TYR A 455 11.096 -2.886 1.098 1.00 0.28 C ATOM 876 CE1 TYR A 455 10.943 -2.393 3.808 1.00 0.22 C ATOM 877 CE2 TYR A 455 12.123 -2.216 1.736 1.00 0.30 C ATOM 878 CZ TYR A 455 12.026 -1.937 3.078 1.00 0.26 C ATOM 879 OH TYR A 455 13.067 -1.316 3.734 1.00 0.29 O ATOM 0 H TYR A 455 10.093 -5.951 -0.541 1.00 0.16 H new ATOM 0 HA TYR A 455 9.078 -5.877 2.230 1.00 0.16 H new ATOM 0 HB2 TYR A 455 8.842 -3.766 0.052 1.00 0.23 H new ATOM 0 HB3 TYR A 455 7.907 -3.755 1.534 1.00 0.23 H new ATOM 0 HD1 TYR A 455 9.062 -3.388 3.730 1.00 0.20 H new ATOM 0 HD2 TYR A 455 11.163 -3.075 0.037 1.00 0.28 H new ATOM 0 HE1 TYR A 455 10.897 -2.228 4.874 1.00 0.22 H new ATOM 0 HE2 TYR A 455 12.999 -1.913 1.182 1.00 0.30 H new ATOM 0 HH TYR A 455 13.731 -1.985 4.000 1.00 0.29 H new ATOM 889 N ASN A 456 6.964 -6.900 1.472 1.00 0.12 N ATOM 890 CA ASN A 456 5.654 -7.396 1.099 1.00 0.12 C ATOM 891 C ASN A 456 4.667 -6.262 1.249 1.00 0.13 C ATOM 892 O ASN A 456 4.225 -5.933 2.354 1.00 0.15 O ATOM 893 CB ASN A 456 5.241 -8.598 1.958 1.00 0.14 C ATOM 894 CG ASN A 456 4.078 -9.380 1.341 1.00 0.17 C ATOM 895 OD1 ASN A 456 3.810 -9.253 0.147 1.00 0.17 O ATOM 896 ND2 ASN A 456 3.396 -10.230 2.116 1.00 0.20 N ATOM 0 H ASN A 456 7.242 -7.116 2.430 1.00 0.12 H new ATOM 0 HA ASN A 456 5.675 -7.744 0.066 1.00 0.12 H new ATOM 0 HB2 ASN A 456 6.096 -9.262 2.085 1.00 0.14 H new ATOM 0 HB3 ASN A 456 4.957 -8.251 2.951 1.00 0.14 H new ATOM 0 HD21 ASN A 456 2.639 -10.787 1.719 1.00 0.20 H new ATOM 0 HD22 ASN A 456 3.633 -10.322 3.104 1.00 0.20 H new ATOM 903 N ILE A 457 4.364 -5.654 0.128 1.00 0.13 N ATOM 904 CA ILE A 457 3.565 -4.457 0.084 1.00 0.14 C ATOM 905 C ILE A 457 2.091 -4.812 0.063 1.00 0.14 C ATOM 906 O ILE A 457 1.575 -5.358 -0.914 1.00 0.18 O ATOM 907 CB ILE A 457 3.935 -3.609 -1.149 1.00 0.16 C ATOM 908 CG1 ILE A 457 5.367 -3.076 -1.009 1.00 0.19 C ATOM 909 CG2 ILE A 457 2.944 -2.457 -1.334 1.00 0.18 C ATOM 910 CD1 ILE A 457 5.767 -2.087 -2.085 1.00 0.22 C ATOM 0 H ILE A 457 4.669 -5.981 -0.789 1.00 0.13 H new ATOM 0 HA ILE A 457 3.767 -3.868 0.979 1.00 0.14 H new ATOM 0 HB ILE A 457 3.882 -4.242 -2.035 1.00 0.16 H new ATOM 0 HG12 ILE A 457 5.472 -2.599 -0.035 1.00 0.19 H new ATOM 0 HG13 ILE A 457 6.060 -3.917 -1.028 1.00 0.19 H new ATOM 0 HG21 ILE A 457 3.225 -1.872 -2.210 1.00 0.18 H new ATOM 0 HG22 ILE A 457 1.940 -2.859 -1.473 1.00 0.18 H new ATOM 0 HG23 ILE A 457 2.960 -1.818 -0.451 1.00 0.18 H new ATOM 0 HD11 ILE A 457 6.792 -1.758 -1.914 1.00 0.22 H new ATOM 0 HD12 ILE A 457 5.697 -2.565 -3.062 1.00 0.22 H new ATOM 0 HD13 ILE A 457 5.100 -1.226 -2.053 1.00 0.22 H new ATOM 922 N ILE A 458 1.426 -4.516 1.158 1.00 0.16 N ATOM 923 CA ILE A 458 0.025 -4.838 1.313 1.00 0.18 C ATOM 924 C ILE A 458 -0.782 -3.574 1.495 1.00 0.20 C ATOM 925 O ILE A 458 -0.539 -2.799 2.408 1.00 0.29 O ATOM 926 CB ILE A 458 -0.192 -5.772 2.510 1.00 0.22 C ATOM 927 CG1 ILE A 458 0.444 -7.125 2.218 1.00 0.21 C ATOM 928 CG2 ILE A 458 -1.670 -5.932 2.815 1.00 0.29 C ATOM 929 CD1 ILE A 458 0.293 -8.109 3.340 1.00 0.27 C ATOM 0 H ILE A 458 1.840 -4.047 1.964 1.00 0.16 H new ATOM 0 HA ILE A 458 -0.308 -5.350 0.410 1.00 0.18 H new ATOM 0 HB ILE A 458 0.281 -5.334 3.389 1.00 0.22 H new ATOM 0 HG12 ILE A 458 -0.004 -7.542 1.316 1.00 0.21 H new ATOM 0 HG13 ILE A 458 1.504 -6.982 2.010 1.00 0.21 H new ATOM 0 HG21 ILE A 458 -1.795 -6.599 3.668 1.00 0.29 H new ATOM 0 HG22 ILE A 458 -2.101 -4.958 3.049 1.00 0.29 H new ATOM 0 HG23 ILE A 458 -2.177 -6.354 1.947 1.00 0.29 H new ATOM 0 HD11 ILE A 458 0.769 -9.050 3.065 1.00 0.27 H new ATOM 0 HD12 ILE A 458 0.766 -7.712 4.238 1.00 0.27 H new ATOM 0 HD13 ILE A 458 -0.766 -8.280 3.534 1.00 0.27 H new ATOM 941 N VAL A 459 -1.734 -3.362 0.619 1.00 0.17 N ATOM 942 CA VAL A 459 -2.529 -2.160 0.651 1.00 0.18 C ATOM 943 C VAL A 459 -3.868 -2.449 1.306 1.00 0.18 C ATOM 944 O VAL A 459 -4.605 -3.339 0.868 1.00 0.23 O ATOM 945 CB VAL A 459 -2.739 -1.606 -0.773 1.00 0.19 C ATOM 946 CG1 VAL A 459 -3.469 -0.277 -0.749 1.00 0.20 C ATOM 947 CG2 VAL A 459 -1.414 -1.487 -1.513 1.00 0.20 C ATOM 0 H VAL A 459 -1.978 -4.011 -0.129 1.00 0.17 H new ATOM 0 HA VAL A 459 -2.000 -1.406 1.234 1.00 0.18 H new ATOM 0 HB VAL A 459 -3.365 -2.316 -1.313 1.00 0.19 H new ATOM 0 HG11 VAL A 459 -3.600 0.085 -1.769 1.00 0.20 H new ATOM 0 HG12 VAL A 459 -4.445 -0.406 -0.282 1.00 0.20 H new ATOM 0 HG13 VAL A 459 -2.887 0.447 -0.179 1.00 0.20 H new ATOM 0 HG21 VAL A 459 -1.590 -1.094 -2.514 1.00 0.20 H new ATOM 0 HG22 VAL A 459 -0.753 -0.812 -0.970 1.00 0.20 H new ATOM 0 HG23 VAL A 459 -0.948 -2.470 -1.586 1.00 0.20 H new ATOM 957 N GLU A 460 -4.165 -1.712 2.363 1.00 0.18 N ATOM 958 CA GLU A 460 -5.381 -1.918 3.128 1.00 0.22 C ATOM 959 C GLU A 460 -6.229 -0.654 3.096 1.00 0.21 C ATOM 960 O GLU A 460 -5.795 0.415 3.534 1.00 0.30 O ATOM 961 CB GLU A 460 -5.038 -2.295 4.572 1.00 0.30 C ATOM 962 CG GLU A 460 -4.235 -3.584 4.696 1.00 0.36 C ATOM 963 CD GLU A 460 -3.632 -3.775 6.074 1.00 0.60 C ATOM 964 OE1 GLU A 460 -2.492 -3.314 6.300 1.00 0.79 O ATOM 965 OE2 GLU A 460 -4.301 -4.365 6.950 1.00 0.82 O ATOM 0 H GLU A 460 -3.573 -0.958 2.713 1.00 0.18 H new ATOM 0 HA GLU A 460 -5.949 -2.735 2.684 1.00 0.22 H new ATOM 0 HB2 GLU A 460 -4.473 -1.481 5.026 1.00 0.30 H new ATOM 0 HB3 GLU A 460 -5.962 -2.397 5.140 1.00 0.30 H new ATOM 0 HG2 GLU A 460 -4.881 -4.432 4.467 1.00 0.36 H new ATOM 0 HG3 GLU A 460 -3.437 -3.582 3.953 1.00 0.36 H new ATOM 972 N ALA A 461 -7.429 -0.779 2.568 1.00 0.16 N ATOM 973 CA ALA A 461 -8.321 0.357 2.414 1.00 0.15 C ATOM 974 C ALA A 461 -9.128 0.618 3.661 1.00 0.14 C ATOM 975 O ALA A 461 -9.883 -0.234 4.121 1.00 0.17 O ATOM 976 CB ALA A 461 -9.247 0.131 1.234 1.00 0.16 C ATOM 0 H ALA A 461 -7.814 -1.663 2.235 1.00 0.16 H new ATOM 0 HA ALA A 461 -7.704 1.237 2.234 1.00 0.15 H new ATOM 0 HB1 ALA A 461 -9.913 0.987 1.125 1.00 0.16 H new ATOM 0 HB2 ALA A 461 -8.656 0.013 0.326 1.00 0.16 H new ATOM 0 HB3 ALA A 461 -9.838 -0.769 1.402 1.00 0.16 H new ATOM 982 N LEU A 462 -8.969 1.816 4.184 1.00 0.16 N ATOM 983 CA LEU A 462 -9.717 2.257 5.332 1.00 0.20 C ATOM 984 C LEU A 462 -11.068 2.765 4.845 1.00 0.22 C ATOM 985 O LEU A 462 -11.178 3.869 4.308 1.00 0.24 O ATOM 986 CB LEU A 462 -8.964 3.357 6.086 1.00 0.25 C ATOM 987 CG LEU A 462 -9.159 3.330 7.604 1.00 0.34 C ATOM 988 CD1 LEU A 462 -8.308 4.379 8.281 1.00 0.85 C ATOM 989 CD2 LEU A 462 -10.614 3.529 7.972 1.00 0.78 C ATOM 0 H LEU A 462 -8.315 2.509 3.821 1.00 0.16 H new ATOM 0 HA LEU A 462 -9.855 1.428 6.027 1.00 0.20 H new ATOM 0 HB2 LEU A 462 -7.900 3.268 5.867 1.00 0.25 H new ATOM 0 HB3 LEU A 462 -9.287 4.327 5.708 1.00 0.25 H new ATOM 0 HG LEU A 462 -8.844 2.347 7.954 1.00 0.34 H new ATOM 0 HD11 LEU A 462 -8.467 4.337 9.359 1.00 0.85 H new ATOM 0 HD12 LEU A 462 -7.257 4.192 8.062 1.00 0.85 H new ATOM 0 HD13 LEU A 462 -8.585 5.366 7.912 1.00 0.85 H new ATOM 0 HD21 LEU A 462 -10.722 3.505 9.056 1.00 0.78 H new ATOM 0 HD22 LEU A 462 -10.956 4.493 7.595 1.00 0.78 H new ATOM 0 HD23 LEU A 462 -11.213 2.733 7.530 1.00 0.78 H new ATOM 1001 N LYS A 463 -12.078 1.939 5.008 1.00 0.23 N ATOM 1002 CA LYS A 463 -13.395 2.210 4.485 1.00 0.30 C ATOM 1003 C LYS A 463 -14.418 1.829 5.545 1.00 0.40 C ATOM 1004 O LYS A 463 -14.365 0.714 6.068 1.00 0.50 O ATOM 1005 CB LYS A 463 -13.600 1.393 3.205 1.00 0.31 C ATOM 1006 CG LYS A 463 -14.953 1.571 2.530 1.00 0.38 C ATOM 1007 CD LYS A 463 -15.037 2.852 1.721 1.00 0.42 C ATOM 1008 CE LYS A 463 -16.433 3.058 1.151 1.00 0.95 C ATOM 1009 NZ LYS A 463 -17.464 3.146 2.218 1.00 1.62 N ATOM 0 H LYS A 463 -12.006 1.055 5.511 1.00 0.23 H new ATOM 0 HA LYS A 463 -13.511 3.266 4.242 1.00 0.30 H new ATOM 0 HB2 LYS A 463 -12.819 1.661 2.493 1.00 0.31 H new ATOM 0 HB3 LYS A 463 -13.467 0.337 3.442 1.00 0.31 H new ATOM 0 HG2 LYS A 463 -15.144 0.720 1.877 1.00 0.38 H new ATOM 0 HG3 LYS A 463 -15.736 1.572 3.288 1.00 0.38 H new ATOM 0 HD2 LYS A 463 -14.771 3.700 2.351 1.00 0.42 H new ATOM 0 HD3 LYS A 463 -14.312 2.819 0.908 1.00 0.42 H new ATOM 0 HE2 LYS A 463 -16.450 3.970 0.555 1.00 0.95 H new ATOM 0 HE3 LYS A 463 -16.676 2.234 0.480 1.00 0.95 H new ATOM 0 HZ1 LYS A 463 -18.371 3.437 1.801 1.00 1.62 H new ATOM 0 HZ2 LYS A 463 -17.574 2.217 2.672 1.00 1.62 H new ATOM 0 HZ3 LYS A 463 -17.169 3.846 2.928 1.00 1.62 H new ATOM 1023 N ASP A 464 -15.345 2.734 5.846 1.00 0.58 N ATOM 1024 CA ASP A 464 -16.253 2.554 7.013 1.00 0.61 C ATOM 1025 C ASP A 464 -15.549 1.968 8.243 1.00 0.51 C ATOM 1026 O ASP A 464 -15.794 0.820 8.617 1.00 0.53 O ATOM 1027 CB ASP A 464 -17.406 1.641 6.685 1.00 0.72 C ATOM 1028 CG ASP A 464 -18.306 2.167 5.588 1.00 1.08 C ATOM 1029 OD1 ASP A 464 -18.188 1.695 4.436 1.00 1.85 O ATOM 1030 OD2 ASP A 464 -19.145 3.048 5.869 1.00 1.15 O ATOM 0 H ASP A 464 -15.499 3.592 5.317 1.00 0.58 H new ATOM 0 HA ASP A 464 -16.605 3.559 7.244 1.00 0.61 H new ATOM 0 HB2 ASP A 464 -17.014 0.669 6.386 1.00 0.72 H new ATOM 0 HB3 ASP A 464 -18.000 1.483 7.585 1.00 0.72 H new ATOM 1035 N GLN A 465 -14.719 2.777 8.870 1.00 0.52 N ATOM 1036 CA GLN A 465 -13.938 2.419 10.062 1.00 0.49 C ATOM 1037 C GLN A 465 -13.032 1.174 9.913 1.00 0.44 C ATOM 1038 O GLN A 465 -12.199 0.917 10.785 1.00 0.66 O ATOM 1039 CB GLN A 465 -14.873 2.230 11.256 1.00 0.56 C ATOM 1040 CG GLN A 465 -15.805 3.406 11.485 1.00 0.67 C ATOM 1041 CD GLN A 465 -16.735 3.193 12.661 1.00 0.78 C ATOM 1042 OE1 GLN A 465 -16.397 2.502 13.622 1.00 1.32 O ATOM 1043 NE2 GLN A 465 -17.914 3.788 12.597 1.00 1.39 N ATOM 0 H GLN A 465 -14.556 3.736 8.563 1.00 0.52 H new ATOM 0 HA GLN A 465 -13.257 3.256 10.216 1.00 0.49 H new ATOM 0 HB2 GLN A 465 -15.468 1.329 11.103 1.00 0.56 H new ATOM 0 HB3 GLN A 465 -14.276 2.069 12.154 1.00 0.56 H new ATOM 0 HG2 GLN A 465 -15.213 4.306 11.653 1.00 0.67 H new ATOM 0 HG3 GLN A 465 -16.396 3.576 10.585 1.00 0.67 H new ATOM 0 HE21 GLN A 465 -18.157 4.353 11.783 1.00 1.39 H new ATOM 0 HE22 GLN A 465 -18.581 3.682 13.362 1.00 1.39 H new ATOM 1052 N GLN A 466 -13.174 0.409 8.839 1.00 0.36 N ATOM 1053 CA GLN A 466 -12.448 -0.850 8.694 1.00 0.36 C ATOM 1054 C GLN A 466 -11.416 -0.777 7.593 1.00 0.28 C ATOM 1055 O GLN A 466 -11.362 0.182 6.833 1.00 0.29 O ATOM 1056 CB GLN A 466 -13.424 -1.985 8.394 1.00 0.54 C ATOM 1057 CG GLN A 466 -14.291 -2.348 9.566 1.00 1.20 C ATOM 1058 CD GLN A 466 -15.283 -3.445 9.240 1.00 1.42 C ATOM 1059 OE1 GLN A 466 -15.729 -3.579 8.101 1.00 1.60 O ATOM 1060 NE2 GLN A 466 -15.637 -4.235 10.236 1.00 2.13 N ATOM 0 H GLN A 466 -13.785 0.636 8.054 1.00 0.36 H new ATOM 0 HA GLN A 466 -11.932 -1.040 9.635 1.00 0.36 H new ATOM 0 HB2 GLN A 466 -14.059 -1.697 7.556 1.00 0.54 H new ATOM 0 HB3 GLN A 466 -12.862 -2.865 8.080 1.00 0.54 H new ATOM 0 HG2 GLN A 466 -13.660 -2.669 10.395 1.00 1.20 H new ATOM 0 HG3 GLN A 466 -14.831 -1.463 9.901 1.00 1.20 H new ATOM 0 HE21 GLN A 466 -15.244 -4.090 11.166 1.00 2.13 H new ATOM 0 HE22 GLN A 466 -16.304 -4.990 10.076 1.00 2.13 H new ATOM 1069 N ARG A 467 -10.604 -1.808 7.524 1.00 0.33 N ATOM 1070 CA ARG A 467 -9.558 -1.898 6.524 1.00 0.30 C ATOM 1071 C ARG A 467 -9.774 -3.120 5.642 1.00 0.33 C ATOM 1072 O ARG A 467 -10.169 -4.183 6.122 1.00 0.51 O ATOM 1073 CB ARG A 467 -8.202 -1.953 7.212 1.00 0.36 C ATOM 1074 CG ARG A 467 -7.933 -0.737 8.078 1.00 0.34 C ATOM 1075 CD ARG A 467 -6.756 -0.975 8.994 1.00 0.43 C ATOM 1076 NE ARG A 467 -6.428 0.205 9.790 1.00 1.24 N ATOM 1077 CZ ARG A 467 -5.203 0.486 10.238 1.00 1.67 C ATOM 1078 NH1 ARG A 467 -4.188 -0.325 9.970 1.00 1.51 N ATOM 1079 NH2 ARG A 467 -4.997 1.581 10.959 1.00 2.58 N ATOM 0 H ARG A 467 -10.648 -2.607 8.157 1.00 0.33 H new ATOM 0 HA ARG A 467 -9.590 -1.016 5.885 1.00 0.30 H new ATOM 0 HB2 ARG A 467 -8.148 -2.851 7.828 1.00 0.36 H new ATOM 0 HB3 ARG A 467 -7.420 -2.036 6.457 1.00 0.36 H new ATOM 0 HG2 ARG A 467 -7.737 0.128 7.445 1.00 0.34 H new ATOM 0 HG3 ARG A 467 -8.818 -0.505 8.670 1.00 0.34 H new ATOM 0 HD2 ARG A 467 -6.979 -1.809 9.659 1.00 0.43 H new ATOM 0 HD3 ARG A 467 -5.888 -1.263 8.400 1.00 0.43 H new ATOM 0 HE ARG A 467 -7.181 0.854 10.017 1.00 1.24 H new ATOM 0 HH11 ARG A 467 -4.342 -1.169 9.418 1.00 1.51 H new ATOM 0 HH12 ARG A 467 -3.254 -0.104 10.315 1.00 1.51 H new ATOM 0 HH21 ARG A 467 -5.775 2.206 11.170 1.00 2.58 H new ATOM 0 HH22 ARG A 467 -4.061 1.797 11.302 1.00 2.58 H new ATOM 1093 N HIS A 468 -9.544 -2.953 4.350 1.00 0.28 N ATOM 1094 CA HIS A 468 -9.802 -4.012 3.377 1.00 0.32 C ATOM 1095 C HIS A 468 -8.629 -4.171 2.391 1.00 0.24 C ATOM 1096 O HIS A 468 -8.303 -3.222 1.679 1.00 0.27 O ATOM 1097 CB HIS A 468 -11.082 -3.705 2.583 1.00 0.44 C ATOM 1098 CG HIS A 468 -12.342 -3.747 3.398 1.00 0.75 C ATOM 1099 ND1 HIS A 468 -13.193 -4.828 3.414 1.00 1.02 N ATOM 1100 CD2 HIS A 468 -12.895 -2.828 4.226 1.00 1.01 C ATOM 1101 CE1 HIS A 468 -14.212 -4.574 4.212 1.00 1.26 C ATOM 1102 NE2 HIS A 468 -14.056 -3.369 4.718 1.00 1.25 N ATOM 0 H HIS A 468 -9.177 -2.091 3.945 1.00 0.28 H new ATOM 0 HA HIS A 468 -9.921 -4.942 3.933 1.00 0.32 H new ATOM 0 HB2 HIS A 468 -10.988 -2.717 2.133 1.00 0.44 H new ATOM 0 HB3 HIS A 468 -11.168 -4.421 1.765 1.00 0.44 H new ATOM 0 HD2 HIS A 468 -12.496 -1.851 4.456 1.00 1.01 H new ATOM 0 HE1 HIS A 468 -15.036 -5.242 4.416 1.00 1.26 H new ATOM 0 HE2 HIS A 468 -14.694 -2.912 5.370 1.00 1.25 H new ATOM 1111 N LYS A 469 -7.968 -5.343 2.403 1.00 0.27 N ATOM 1112 CA LYS A 469 -7.008 -5.734 1.320 1.00 0.40 C ATOM 1113 C LYS A 469 -7.516 -5.270 -0.045 1.00 0.29 C ATOM 1114 O LYS A 469 -8.629 -5.609 -0.450 1.00 0.37 O ATOM 1115 CB LYS A 469 -6.796 -7.261 1.210 1.00 0.80 C ATOM 1116 CG LYS A 469 -5.908 -7.683 0.049 1.00 0.70 C ATOM 1117 CD LYS A 469 -4.429 -7.399 0.292 1.00 0.70 C ATOM 1118 CE LYS A 469 -3.864 -8.246 1.430 1.00 0.41 C ATOM 1119 NZ LYS A 469 -4.069 -9.705 1.220 1.00 0.84 N ATOM 0 H LYS A 469 -8.071 -6.041 3.140 1.00 0.27 H new ATOM 0 HA LYS A 469 -6.067 -5.257 1.592 1.00 0.40 H new ATOM 0 HB2 LYS A 469 -6.357 -7.624 2.139 1.00 0.80 H new ATOM 0 HB3 LYS A 469 -7.767 -7.745 1.105 1.00 0.80 H new ATOM 0 HG2 LYS A 469 -6.042 -8.749 -0.134 1.00 0.70 H new ATOM 0 HG3 LYS A 469 -6.228 -7.162 -0.853 1.00 0.70 H new ATOM 0 HD2 LYS A 469 -3.867 -7.597 -0.621 1.00 0.70 H new ATOM 0 HD3 LYS A 469 -4.296 -6.343 0.526 1.00 0.70 H new ATOM 0 HE2 LYS A 469 -2.798 -8.045 1.532 1.00 0.41 H new ATOM 0 HE3 LYS A 469 -4.335 -7.949 2.367 1.00 0.41 H new ATOM 0 HZ1 LYS A 469 -4.665 -10.085 1.983 1.00 0.84 H new ATOM 0 HZ2 LYS A 469 -4.537 -9.862 0.304 1.00 0.84 H new ATOM 0 HZ3 LYS A 469 -3.149 -10.189 1.226 1.00 0.84 H new ATOM 1133 N VAL A 470 -6.702 -4.502 -0.744 1.00 0.23 N ATOM 1134 CA VAL A 470 -7.028 -4.092 -2.107 1.00 0.18 C ATOM 1135 C VAL A 470 -5.952 -4.569 -3.087 1.00 0.18 C ATOM 1136 O VAL A 470 -6.255 -4.964 -4.217 1.00 0.29 O ATOM 1137 CB VAL A 470 -7.255 -2.559 -2.212 1.00 0.22 C ATOM 1138 CG1 VAL A 470 -6.596 -1.847 -1.060 1.00 0.61 C ATOM 1139 CG2 VAL A 470 -6.768 -1.993 -3.542 1.00 0.59 C ATOM 0 H VAL A 470 -5.811 -4.147 -0.396 1.00 0.23 H new ATOM 0 HA VAL A 470 -7.970 -4.569 -2.380 1.00 0.18 H new ATOM 0 HB VAL A 470 -8.331 -2.389 -2.165 1.00 0.22 H new ATOM 0 HG11 VAL A 470 -6.766 -0.774 -1.150 1.00 0.61 H new ATOM 0 HG12 VAL A 470 -7.020 -2.204 -0.121 1.00 0.61 H new ATOM 0 HG13 VAL A 470 -5.525 -2.047 -1.073 1.00 0.61 H new ATOM 0 HG21 VAL A 470 -6.948 -0.918 -3.568 1.00 0.59 H new ATOM 0 HG22 VAL A 470 -5.700 -2.185 -3.650 1.00 0.59 H new ATOM 0 HG23 VAL A 470 -7.307 -2.471 -4.360 1.00 0.59 H new ATOM 1149 N ARG A 471 -4.703 -4.560 -2.640 1.00 0.17 N ATOM 1150 CA ARG A 471 -3.597 -5.046 -3.441 1.00 0.19 C ATOM 1151 C ARG A 471 -2.474 -5.529 -2.527 1.00 0.18 C ATOM 1152 O ARG A 471 -2.249 -4.959 -1.463 1.00 0.22 O ATOM 1153 CB ARG A 471 -3.085 -3.956 -4.386 1.00 0.28 C ATOM 1154 CG ARG A 471 -1.938 -4.444 -5.263 1.00 0.77 C ATOM 1155 CD ARG A 471 -2.029 -3.952 -6.703 1.00 0.52 C ATOM 1156 NE ARG A 471 -0.931 -4.467 -7.520 1.00 1.18 N ATOM 1157 CZ ARG A 471 -0.521 -3.919 -8.664 1.00 1.45 C ATOM 1158 NH1 ARG A 471 -1.089 -2.811 -9.129 1.00 1.39 N ATOM 1159 NH2 ARG A 471 0.465 -4.482 -9.347 1.00 2.13 N ATOM 0 H ARG A 471 -4.433 -4.217 -1.718 1.00 0.17 H new ATOM 0 HA ARG A 471 -3.947 -5.879 -4.050 1.00 0.19 H new ATOM 0 HB2 ARG A 471 -3.903 -3.613 -5.019 1.00 0.28 H new ATOM 0 HB3 ARG A 471 -2.753 -3.098 -3.802 1.00 0.28 H new ATOM 0 HG2 ARG A 471 -0.993 -4.112 -4.832 1.00 0.77 H new ATOM 0 HG3 ARG A 471 -1.925 -5.534 -5.259 1.00 0.77 H new ATOM 0 HD2 ARG A 471 -2.981 -4.263 -7.134 1.00 0.52 H new ATOM 0 HD3 ARG A 471 -2.013 -2.862 -6.717 1.00 0.52 H new ATOM 0 HE ARG A 471 -0.446 -5.302 -7.192 1.00 1.18 H new ATOM 0 HH11 ARG A 471 -1.848 -2.370 -8.609 1.00 1.39 H new ATOM 0 HH12 ARG A 471 -0.766 -2.402 -10.006 1.00 1.39 H new ATOM 0 HH21 ARG A 471 0.908 -5.332 -8.997 1.00 2.13 H new ATOM 0 HH22 ARG A 471 0.781 -4.066 -10.223 1.00 2.13 H new ATOM 1173 N GLU A 472 -1.799 -6.593 -2.931 1.00 0.20 N ATOM 1174 CA GLU A 472 -0.688 -7.144 -2.165 1.00 0.18 C ATOM 1175 C GLU A 472 0.363 -7.722 -3.102 1.00 0.18 C ATOM 1176 O GLU A 472 0.025 -8.404 -4.072 1.00 0.21 O ATOM 1177 CB GLU A 472 -1.197 -8.216 -1.197 1.00 0.21 C ATOM 1178 CG GLU A 472 -0.212 -9.346 -0.942 1.00 0.21 C ATOM 1179 CD GLU A 472 -0.694 -10.306 0.124 1.00 0.29 C ATOM 1180 OE1 GLU A 472 0.090 -10.640 1.038 1.00 0.62 O ATOM 1181 OE2 GLU A 472 -1.868 -10.727 0.058 1.00 0.65 O ATOM 0 H GLU A 472 -2.002 -7.098 -3.794 1.00 0.20 H new ATOM 0 HA GLU A 472 -0.228 -6.344 -1.585 1.00 0.18 H new ATOM 0 HB2 GLU A 472 -1.444 -7.743 -0.246 1.00 0.21 H new ATOM 0 HB3 GLU A 472 -2.121 -8.637 -1.593 1.00 0.21 H new ATOM 0 HG2 GLU A 472 -0.044 -9.893 -1.870 1.00 0.21 H new ATOM 0 HG3 GLU A 472 0.748 -8.926 -0.641 1.00 0.21 H new ATOM 1188 N GLU A 473 1.625 -7.428 -2.832 1.00 0.16 N ATOM 1189 CA GLU A 473 2.708 -7.927 -3.665 1.00 0.17 C ATOM 1190 C GLU A 473 4.033 -7.847 -2.959 1.00 0.20 C ATOM 1191 O GLU A 473 4.297 -6.911 -2.210 1.00 0.26 O ATOM 1192 CB GLU A 473 2.763 -7.160 -4.993 1.00 0.23 C ATOM 1193 CG GLU A 473 3.868 -7.621 -5.933 1.00 0.27 C ATOM 1194 CD GLU A 473 3.700 -9.061 -6.368 1.00 1.24 C ATOM 1195 OE1 GLU A 473 4.193 -9.965 -5.663 1.00 2.26 O ATOM 1196 OE2 GLU A 473 3.072 -9.296 -7.423 1.00 1.25 O ATOM 0 H GLU A 473 1.924 -6.849 -2.047 1.00 0.16 H new ATOM 0 HA GLU A 473 2.506 -8.978 -3.872 1.00 0.17 H new ATOM 0 HB2 GLU A 473 1.803 -7.263 -5.500 1.00 0.23 H new ATOM 0 HB3 GLU A 473 2.899 -6.099 -4.782 1.00 0.23 H new ATOM 0 HG2 GLU A 473 3.882 -6.979 -6.814 1.00 0.27 H new ATOM 0 HG3 GLU A 473 4.832 -7.505 -5.438 1.00 0.27 H new ATOM 1203 N VAL A 474 4.873 -8.832 -3.215 1.00 0.24 N ATOM 1204 CA VAL A 474 6.172 -8.855 -2.614 1.00 0.28 C ATOM 1205 C VAL A 474 7.193 -8.278 -3.574 1.00 0.21 C ATOM 1206 O VAL A 474 7.381 -8.786 -4.682 1.00 0.28 O ATOM 1207 CB VAL A 474 6.627 -10.267 -2.213 1.00 0.49 C ATOM 1208 CG1 VAL A 474 7.738 -10.200 -1.176 1.00 0.80 C ATOM 1209 CG2 VAL A 474 5.464 -11.095 -1.706 1.00 1.22 C ATOM 0 H VAL A 474 4.671 -9.618 -3.833 1.00 0.24 H new ATOM 0 HA VAL A 474 6.101 -8.257 -1.706 1.00 0.28 H new ATOM 0 HB VAL A 474 7.020 -10.758 -3.103 1.00 0.49 H new ATOM 0 HG11 VAL A 474 8.045 -11.210 -0.906 1.00 0.80 H new ATOM 0 HG12 VAL A 474 8.590 -9.660 -1.590 1.00 0.80 H new ATOM 0 HG13 VAL A 474 7.376 -9.681 -0.288 1.00 0.80 H new ATOM 0 HG21 VAL A 474 5.818 -12.088 -1.430 1.00 1.22 H new ATOM 0 HG22 VAL A 474 5.026 -10.611 -0.833 1.00 1.22 H new ATOM 0 HG23 VAL A 474 4.711 -11.182 -2.489 1.00 1.22 H new ATOM 1219 N VAL A 475 7.848 -7.224 -3.150 1.00 0.19 N ATOM 1220 CA VAL A 475 8.808 -6.539 -3.992 1.00 0.19 C ATOM 1221 C VAL A 475 10.116 -6.324 -3.293 1.00 0.19 C ATOM 1222 O VAL A 475 10.199 -5.737 -2.216 1.00 0.26 O ATOM 1223 CB VAL A 475 8.312 -5.167 -4.482 1.00 0.22 C ATOM 1224 CG1 VAL A 475 8.320 -5.118 -5.997 1.00 0.41 C ATOM 1225 CG2 VAL A 475 6.925 -4.848 -3.944 1.00 0.32 C ATOM 0 H VAL A 475 7.735 -6.817 -2.221 1.00 0.19 H new ATOM 0 HA VAL A 475 8.940 -7.200 -4.849 1.00 0.19 H new ATOM 0 HB VAL A 475 8.994 -4.408 -4.099 1.00 0.22 H new ATOM 0 HG11 VAL A 475 7.967 -4.142 -6.331 1.00 0.41 H new ATOM 0 HG12 VAL A 475 9.334 -5.281 -6.361 1.00 0.41 H new ATOM 0 HG13 VAL A 475 7.664 -5.895 -6.390 1.00 0.41 H new ATOM 0 HG21 VAL A 475 6.608 -3.872 -4.311 1.00 0.32 H new ATOM 0 HG22 VAL A 475 6.220 -5.609 -4.281 1.00 0.32 H new ATOM 0 HG23 VAL A 475 6.952 -4.835 -2.854 1.00 0.32 H new ATOM 1235 N THR A 476 11.125 -6.836 -3.930 1.00 0.24 N ATOM 1236 CA THR A 476 12.478 -6.521 -3.612 1.00 0.24 C ATOM 1237 C THR A 476 12.845 -5.210 -4.269 1.00 0.26 C ATOM 1238 O THR A 476 12.791 -5.065 -5.491 1.00 0.33 O ATOM 1239 CB THR A 476 13.373 -7.629 -4.132 1.00 0.31 C ATOM 1240 OG1 THR A 476 13.146 -8.834 -3.384 1.00 0.32 O ATOM 1241 CG2 THR A 476 14.844 -7.234 -4.078 1.00 0.38 C ATOM 0 H THR A 476 11.025 -7.497 -4.700 1.00 0.24 H new ATOM 0 HA THR A 476 12.603 -6.430 -2.533 1.00 0.24 H new ATOM 0 HB THR A 476 13.121 -7.805 -5.178 1.00 0.31 H new ATOM 0 HG1 THR A 476 13.726 -9.546 -3.726 1.00 0.32 H new ATOM 0 HG21 THR A 476 15.455 -8.053 -4.458 1.00 0.38 H new ATOM 0 HG22 THR A 476 15.005 -6.346 -4.690 1.00 0.38 H new ATOM 0 HG23 THR A 476 15.126 -7.020 -3.047 1.00 0.38 H new ATOM 1249 N VAL A 477 13.195 -4.260 -3.449 1.00 0.25 N ATOM 1250 CA VAL A 477 13.505 -2.933 -3.907 1.00 0.29 C ATOM 1251 C VAL A 477 14.957 -2.868 -4.345 1.00 0.33 C ATOM 1252 O VAL A 477 15.842 -3.283 -3.608 1.00 0.37 O ATOM 1253 CB VAL A 477 13.225 -1.934 -2.780 1.00 0.28 C ATOM 1254 CG1 VAL A 477 13.679 -0.530 -3.144 1.00 0.35 C ATOM 1255 CG2 VAL A 477 11.742 -1.948 -2.450 1.00 0.31 C ATOM 0 H VAL A 477 13.274 -4.383 -2.440 1.00 0.25 H new ATOM 0 HA VAL A 477 12.881 -2.678 -4.763 1.00 0.29 H new ATOM 0 HB VAL A 477 13.797 -2.238 -1.903 1.00 0.28 H new ATOM 0 HG11 VAL A 477 13.462 0.148 -2.318 1.00 0.35 H new ATOM 0 HG12 VAL A 477 14.751 -0.533 -3.339 1.00 0.35 H new ATOM 0 HG13 VAL A 477 13.149 -0.196 -4.036 1.00 0.35 H new ATOM 0 HG21 VAL A 477 11.541 -1.238 -1.648 1.00 0.31 H new ATOM 0 HG22 VAL A 477 11.170 -1.668 -3.335 1.00 0.31 H new ATOM 0 HG23 VAL A 477 11.450 -2.948 -2.130 1.00 0.31 H new