USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 514 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 364 ASN : amide:sc= 1.6 K(o=1.6,f=-4.6!) USER MOD Set 1.2: A 366 ASN : amide:sc= 0.0321 X(o=1.6,f=1.6) USER MOD Set 2.1: A 324 SER OG : rot 57:sc= 1.31 USER MOD Set 2.2: A 326 LYS NZ :NH3+ 146:sc= 1.25 (180deg=1.02) USER MOD Single : A 325 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 327 CYS SG : rot 102:sc= 0.649 USER MOD Single : A 331 SER OG : rot 180:sc= 0 USER MOD Single : A 333 THR OG1 : rot 180:sc= 0.0456 USER MOD Single : A 334 SER OG : rot 180:sc= 0 USER MOD Single : A 335 ASN : amide:sc= -0.139 K(o=-0.14,f=-2!) USER MOD Single : A 340 ASN : amide:sc= 1.18 K(o=1.2,f=-0.042) USER MOD Single : A 341 THR OG1 : rot -152:sc= -0.322 USER MOD Single : A 342 LYS NZ :NH3+ -170:sc= 0.621 (180deg=0.277) USER MOD Single : A 346 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0595) USER MOD Single : A 348 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 350 THR OG1 : rot 180:sc= 0 USER MOD Single : A 353 LYS NZ :NH3+ -145:sc= 0.348 (180deg=-3.31!) USER MOD Single : A 357 SER OG : rot 180:sc= 0 USER MOD Single : A 358 ASN : amide:sc= -1.02 K(o=-1,f=-1.8!) USER MOD Single : A 359 HIS : no HD1:sc= 0.338 K(o=0.34,f=-3.9!) USER MOD Single : A 360 MET CE :methyl -122:sc= -1.17 (180deg=-4.68!) USER MOD Single : A 365 GLN : amide:sc= -3.43! K(o=-3.4!,f=-0.5) USER MOD Single : A 368 LYS NZ :NH3+ 142:sc= -0.463! (180deg=-3.38!) USER MOD Single : A 382 HIS : no HE2:sc= -0.647 K(o=-0.65,f=-6!) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 387 TYR OH : rot 180:sc= 0 USER MOD Single : A 388 ASN : amide:sc= -0.045 X(o=-0.045,f=0) USER MOD Single : A 390 ASN : amide:sc= -0.395 X(o=-0.39,f=-0.24) USER MOD Single : A 392 TYR OH : rot 180:sc= 0 USER MOD Single : A 393 ASN : amide:sc= -0.505 K(o=-0.51,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 323 -0.566 1.354 5.954 1.00 0.00 N ATOM 2 CA GLY A 323 0.408 1.177 4.863 1.00 0.00 C ATOM 3 C GLY A 323 0.368 2.325 3.888 1.00 0.00 C ATOM 4 O GLY A 323 0.062 3.459 4.269 1.00 0.00 O ATOM 0 HA2 GLY A 323 1.411 1.090 5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 323 0.200 0.245 4.337 1.00 0.00 H new ATOM 10 N SER A 324 0.686 2.047 2.643 1.00 0.00 N ATOM 11 CA SER A 324 0.665 3.053 1.609 1.00 0.00 C ATOM 12 C SER A 324 0.619 2.390 0.243 1.00 0.00 C ATOM 13 O SER A 324 1.481 1.580 -0.088 1.00 0.00 O ATOM 14 CB SER A 324 1.903 3.958 1.716 1.00 0.00 C ATOM 15 OG SER A 324 1.770 5.100 0.883 1.00 0.00 O ATOM 0 H SER A 324 0.965 1.120 2.321 1.00 0.00 H new ATOM 0 HA SER A 324 -0.226 3.668 1.736 1.00 0.00 H new ATOM 0 HB2 SER A 324 2.040 4.272 2.751 1.00 0.00 H new ATOM 0 HB3 SER A 324 2.794 3.398 1.432 1.00 0.00 H new ATOM 0 HG SER A 324 0.951 5.583 1.119 1.00 0.00 H new ATOM 21 N LYS A 325 -0.386 2.718 -0.542 1.00 0.00 N ATOM 22 CA LYS A 325 -0.511 2.153 -1.869 1.00 0.00 C ATOM 23 C LYS A 325 -0.342 3.229 -2.931 1.00 0.00 C ATOM 24 O LYS A 325 -0.668 3.021 -4.102 1.00 0.00 O ATOM 25 CB LYS A 325 -1.850 1.428 -2.042 1.00 0.00 C ATOM 26 CG LYS A 325 -3.080 2.321 -1.909 1.00 0.00 C ATOM 27 CD LYS A 325 -4.357 1.565 -2.261 1.00 0.00 C ATOM 28 CE LYS A 325 -4.357 1.121 -3.722 1.00 0.00 C ATOM 29 NZ LYS A 325 -5.582 0.369 -4.082 1.00 0.00 N1+ ATOM 0 H LYS A 325 -1.126 3.371 -0.285 1.00 0.00 H new ATOM 0 HA LYS A 325 0.285 1.418 -1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 325 -1.867 0.953 -3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 325 -1.915 0.631 -1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 325 -3.149 2.699 -0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 325 -2.976 3.187 -2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 325 -4.455 0.693 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 325 -5.222 2.201 -2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 325 -4.269 1.996 -4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 325 -3.483 0.498 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 325 -5.536 0.089 -5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 325 -5.655 -0.481 -3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 325 -6.416 0.971 -3.929 1.00 0.00 H new ATOM 43 N LYS A 326 0.168 4.381 -2.518 1.00 0.00 N ATOM 44 CA LYS A 326 0.406 5.472 -3.445 1.00 0.00 C ATOM 45 C LYS A 326 1.611 5.166 -4.322 1.00 0.00 C ATOM 46 O LYS A 326 2.760 5.267 -3.882 1.00 0.00 O ATOM 47 CB LYS A 326 0.617 6.802 -2.705 1.00 0.00 C ATOM 48 CG LYS A 326 -0.598 7.286 -1.921 1.00 0.00 C ATOM 49 CD LYS A 326 -0.443 8.746 -1.494 1.00 0.00 C ATOM 50 CE LYS A 326 0.741 8.949 -0.553 1.00 0.00 C ATOM 51 NZ LYS A 326 0.484 8.403 0.803 1.00 0.00 N1+ ATOM 0 H LYS A 326 0.423 4.581 -1.551 1.00 0.00 H new ATOM 0 HA LYS A 326 -0.479 5.573 -4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 326 1.457 6.693 -2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 326 0.895 7.567 -3.430 1.00 0.00 H new ATOM 0 HG2 LYS A 326 -1.494 7.178 -2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 326 -0.736 6.660 -1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 326 -0.313 9.370 -2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 326 -1.357 9.078 -1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 326 1.624 8.468 -0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 326 0.964 10.013 -0.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 326 1.370 8.032 1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 326 0.118 9.158 1.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 326 -0.216 7.636 0.742 1.00 0.00 H new ATOM 65 N CYS A 327 1.343 4.766 -5.545 1.00 0.00 N ATOM 66 CA CYS A 327 2.386 4.441 -6.497 1.00 0.00 C ATOM 67 C CYS A 327 2.903 5.696 -7.183 1.00 0.00 C ATOM 68 O CYS A 327 2.406 6.800 -6.938 1.00 0.00 O ATOM 69 CB CYS A 327 1.845 3.459 -7.529 1.00 0.00 C ATOM 70 SG CYS A 327 0.173 3.844 -8.093 1.00 0.00 S ATOM 0 H CYS A 327 0.397 4.656 -5.909 1.00 0.00 H new ATOM 0 HA CYS A 327 3.218 3.982 -5.963 1.00 0.00 H new ATOM 0 HB2 CYS A 327 2.514 3.444 -8.389 1.00 0.00 H new ATOM 0 HB3 CYS A 327 1.853 2.456 -7.102 1.00 0.00 H new ATOM 0 HG CYS A 327 0.229 4.413 -9.261 1.00 0.00 H new ATOM 76 N ASP A 328 3.906 5.530 -8.032 1.00 0.00 N ATOM 77 CA ASP A 328 4.474 6.651 -8.764 1.00 0.00 C ATOM 78 C ASP A 328 3.468 7.165 -9.766 1.00 0.00 C ATOM 79 O ASP A 328 3.180 8.362 -9.821 1.00 0.00 O ATOM 80 CB ASP A 328 5.753 6.229 -9.489 1.00 0.00 C ATOM 81 CG ASP A 328 6.492 7.400 -10.103 1.00 0.00 C ATOM 82 OD1 ASP A 328 6.096 7.868 -11.193 1.00 0.00 O1- ATOM 83 OD2 ASP A 328 7.478 7.850 -9.506 1.00 0.00 O ATOM 0 H ASP A 328 4.343 4.630 -8.231 1.00 0.00 H new ATOM 0 HA ASP A 328 4.721 7.441 -8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 328 6.411 5.717 -8.787 1.00 0.00 H new ATOM 0 HB3 ASP A 328 5.502 5.513 -10.271 1.00 0.00 H new ATOM 88 N ASP A 329 2.910 6.252 -10.545 1.00 0.00 N ATOM 89 CA ASP A 329 1.932 6.619 -11.544 1.00 0.00 C ATOM 90 C ASP A 329 0.522 6.417 -11.047 1.00 0.00 C ATOM 91 O ASP A 329 -0.011 5.303 -11.057 1.00 0.00 O ATOM 92 CB ASP A 329 2.140 5.867 -12.857 1.00 0.00 C ATOM 93 CG ASP A 329 3.283 6.425 -13.670 1.00 0.00 C ATOM 94 OD1 ASP A 329 3.150 7.551 -14.196 1.00 0.00 O ATOM 95 OD2 ASP A 329 4.315 5.736 -13.809 1.00 0.00 O1- ATOM 0 H ASP A 329 3.120 5.255 -10.501 1.00 0.00 H new ATOM 0 HA ASP A 329 2.079 7.681 -11.738 1.00 0.00 H new ATOM 0 HB2 ASP A 329 2.331 4.815 -12.643 1.00 0.00 H new ATOM 0 HB3 ASP A 329 1.224 5.912 -13.446 1.00 0.00 H new ATOM 100 N ASP A 330 -0.068 7.493 -10.589 1.00 0.00 N ATOM 101 CA ASP A 330 -1.447 7.486 -10.140 1.00 0.00 C ATOM 102 C ASP A 330 -2.368 7.518 -11.336 1.00 0.00 C ATOM 103 O ASP A 330 -3.447 6.919 -11.319 1.00 0.00 O ATOM 104 CB ASP A 330 -1.717 8.689 -9.243 1.00 0.00 C ATOM 105 CG ASP A 330 -1.153 9.973 -9.809 1.00 0.00 C ATOM 106 OD1 ASP A 330 0.072 10.197 -9.668 1.00 0.00 O ATOM 107 OD2 ASP A 330 -1.919 10.758 -10.400 1.00 0.00 O1- ATOM 0 H ASP A 330 0.390 8.401 -10.515 1.00 0.00 H new ATOM 0 HA ASP A 330 -1.630 6.577 -9.567 1.00 0.00 H new ATOM 0 HB2 ASP A 330 -2.792 8.799 -9.103 1.00 0.00 H new ATOM 0 HB3 ASP A 330 -1.284 8.509 -8.259 1.00 0.00 H new ATOM 112 N SER A 331 -1.930 8.228 -12.373 1.00 0.00 N ATOM 113 CA SER A 331 -2.657 8.343 -13.626 1.00 0.00 C ATOM 114 C SER A 331 -4.039 8.965 -13.440 1.00 0.00 C ATOM 115 O SER A 331 -4.952 8.691 -14.218 1.00 0.00 O ATOM 116 CB SER A 331 -2.755 6.978 -14.310 1.00 0.00 C ATOM 117 OG SER A 331 -1.461 6.449 -14.558 1.00 0.00 O ATOM 0 H SER A 331 -1.050 8.744 -12.363 1.00 0.00 H new ATOM 0 HA SER A 331 -2.095 9.019 -14.270 1.00 0.00 H new ATOM 0 HB2 SER A 331 -3.321 6.290 -13.682 1.00 0.00 H new ATOM 0 HB3 SER A 331 -3.301 7.074 -15.249 1.00 0.00 H new ATOM 0 HG SER A 331 -1.543 5.575 -14.994 1.00 0.00 H new ATOM 123 N GLU A 332 -4.168 9.813 -12.397 1.00 0.00 N ATOM 124 CA GLU A 332 -5.408 10.567 -12.072 1.00 0.00 C ATOM 125 C GLU A 332 -6.684 9.714 -12.106 1.00 0.00 C ATOM 126 O GLU A 332 -7.788 10.239 -12.265 1.00 0.00 O ATOM 127 CB GLU A 332 -5.565 11.790 -12.983 1.00 0.00 C ATOM 128 CG GLU A 332 -5.797 11.467 -14.451 1.00 0.00 C ATOM 129 CD GLU A 332 -6.128 12.682 -15.264 1.00 0.00 C ATOM 130 OE1 GLU A 332 -7.297 13.111 -15.234 1.00 0.00 O1- ATOM 131 OE2 GLU A 332 -5.232 13.216 -15.934 1.00 0.00 O ATOM 0 H GLU A 332 -3.406 9.999 -11.745 1.00 0.00 H new ATOM 0 HA GLU A 332 -5.285 10.894 -11.040 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -6.400 12.390 -12.621 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -4.670 12.406 -12.898 1.00 0.00 H new ATOM 0 HG2 GLU A 332 -4.905 10.993 -14.860 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -6.609 10.745 -14.536 1.00 0.00 H new ATOM 138 N THR A 333 -6.536 8.431 -11.934 1.00 0.00 N ATOM 139 CA THR A 333 -7.648 7.540 -11.934 1.00 0.00 C ATOM 140 C THR A 333 -8.121 7.293 -10.520 1.00 0.00 C ATOM 141 O THR A 333 -7.585 6.454 -9.793 1.00 0.00 O ATOM 142 CB THR A 333 -7.314 6.212 -12.627 1.00 0.00 C ATOM 143 OG1 THR A 333 -5.959 5.843 -12.347 1.00 0.00 O ATOM 144 CG2 THR A 333 -7.515 6.321 -14.130 1.00 0.00 C ATOM 0 H THR A 333 -5.634 7.977 -11.790 1.00 0.00 H new ATOM 0 HA THR A 333 -8.450 8.012 -12.501 1.00 0.00 H new ATOM 0 HB THR A 333 -7.987 5.446 -12.242 1.00 0.00 H new ATOM 0 HG1 THR A 333 -5.753 4.994 -12.791 1.00 0.00 H new ATOM 0 HG21 THR A 333 -7.272 5.368 -14.600 1.00 0.00 H new ATOM 0 HG22 THR A 333 -8.554 6.575 -14.341 1.00 0.00 H new ATOM 0 HG23 THR A 333 -6.863 7.098 -14.529 1.00 0.00 H new ATOM 152 N SER A 334 -9.105 8.057 -10.132 1.00 0.00 N ATOM 153 CA SER A 334 -9.705 7.972 -8.806 1.00 0.00 C ATOM 154 C SER A 334 -10.617 6.756 -8.682 1.00 0.00 C ATOM 155 O SER A 334 -11.565 6.757 -7.901 1.00 0.00 O ATOM 156 CB SER A 334 -10.500 9.239 -8.535 1.00 0.00 C ATOM 157 OG SER A 334 -9.792 10.383 -8.996 1.00 0.00 O ATOM 0 H SER A 334 -9.527 8.770 -10.728 1.00 0.00 H new ATOM 0 HA SER A 334 -8.905 7.866 -8.073 1.00 0.00 H new ATOM 0 HB2 SER A 334 -11.469 9.180 -9.031 1.00 0.00 H new ATOM 0 HB3 SER A 334 -10.694 9.331 -7.466 1.00 0.00 H new ATOM 0 HG SER A 334 -10.319 11.189 -8.815 1.00 0.00 H new ATOM 163 N ASN A 335 -10.288 5.702 -9.410 1.00 0.00 N ATOM 164 CA ASN A 335 -11.092 4.497 -9.417 1.00 0.00 C ATOM 165 C ASN A 335 -11.089 3.830 -8.044 1.00 0.00 C ATOM 166 O ASN A 335 -11.983 3.059 -7.716 1.00 0.00 O ATOM 167 CB ASN A 335 -10.596 3.519 -10.498 1.00 0.00 C ATOM 168 CG ASN A 335 -9.251 2.894 -10.171 1.00 0.00 C ATOM 169 OD1 ASN A 335 -8.198 3.465 -10.459 1.00 0.00 O ATOM 170 ND2 ASN A 335 -9.279 1.709 -9.590 1.00 0.00 N ATOM 0 H ASN A 335 -9.462 5.660 -10.007 1.00 0.00 H new ATOM 0 HA ASN A 335 -12.118 4.778 -9.653 1.00 0.00 H new ATOM 0 HB2 ASN A 335 -11.334 2.728 -10.629 1.00 0.00 H new ATOM 0 HB3 ASN A 335 -10.522 4.046 -11.449 1.00 0.00 H new ATOM 0 HD21 ASN A 335 -8.407 1.232 -9.363 1.00 0.00 H new ATOM 0 HD22 ASN A 335 -10.173 1.271 -9.368 1.00 0.00 H new ATOM 177 N TRP A 336 -10.087 4.149 -7.247 1.00 0.00 N ATOM 178 CA TRP A 336 -9.981 3.604 -5.908 1.00 0.00 C ATOM 179 C TRP A 336 -10.088 4.716 -4.874 1.00 0.00 C ATOM 180 O TRP A 336 -10.676 4.535 -3.813 1.00 0.00 O ATOM 181 CB TRP A 336 -8.677 2.805 -5.737 1.00 0.00 C ATOM 182 CG TRP A 336 -7.430 3.547 -6.132 1.00 0.00 C ATOM 183 CD1 TRP A 336 -6.964 3.752 -7.398 1.00 0.00 C ATOM 184 CD2 TRP A 336 -6.479 4.164 -5.253 1.00 0.00 C ATOM 185 NE1 TRP A 336 -5.796 4.465 -7.363 1.00 0.00 N ATOM 186 CE2 TRP A 336 -5.475 4.731 -6.059 1.00 0.00 C ATOM 187 CE3 TRP A 336 -6.384 4.297 -3.866 1.00 0.00 C ATOM 188 CZ2 TRP A 336 -4.388 5.417 -5.525 1.00 0.00 C ATOM 189 CZ3 TRP A 336 -5.305 4.980 -3.336 1.00 0.00 C ATOM 190 CH2 TRP A 336 -4.320 5.532 -4.164 1.00 0.00 C ATOM 0 H TRP A 336 -9.333 4.785 -7.505 1.00 0.00 H new ATOM 0 HA TRP A 336 -10.809 2.913 -5.751 1.00 0.00 H new ATOM 0 HB2 TRP A 336 -8.587 2.500 -4.694 1.00 0.00 H new ATOM 0 HB3 TRP A 336 -8.745 1.893 -6.331 1.00 0.00 H new ATOM 0 HD1 TRP A 336 -7.447 3.402 -8.298 1.00 0.00 H new ATOM 0 HE1 TRP A 336 -5.253 4.752 -8.177 1.00 0.00 H new ATOM 0 HE3 TRP A 336 -7.139 3.874 -3.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 336 -3.627 5.843 -6.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 336 -5.220 5.090 -2.265 1.00 0.00 H new ATOM 0 HH2 TRP A 336 -3.489 6.059 -3.719 1.00 0.00 H new ATOM 201 N ILE A 337 -9.543 5.873 -5.213 1.00 0.00 N ATOM 202 CA ILE A 337 -9.573 7.049 -4.342 1.00 0.00 C ATOM 203 C ILE A 337 -11.016 7.464 -4.035 1.00 0.00 C ATOM 204 O ILE A 337 -11.291 8.080 -3.010 1.00 0.00 O ATOM 205 CB ILE A 337 -8.825 8.234 -5.005 1.00 0.00 C ATOM 206 CG1 ILE A 337 -7.375 7.839 -5.283 1.00 0.00 C ATOM 207 CG2 ILE A 337 -8.878 9.477 -4.122 1.00 0.00 C ATOM 208 CD1 ILE A 337 -6.635 8.813 -6.174 1.00 0.00 C ATOM 0 H ILE A 337 -9.065 6.029 -6.101 1.00 0.00 H new ATOM 0 HA ILE A 337 -9.075 6.786 -3.409 1.00 0.00 H new ATOM 0 HB ILE A 337 -9.318 8.472 -5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 337 -6.844 7.753 -4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 337 -7.360 6.853 -5.747 1.00 0.00 H new ATOM 0 HG21 ILE A 337 -8.346 10.293 -4.610 1.00 0.00 H new ATOM 0 HG22 ILE A 337 -9.917 9.766 -3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 337 -8.409 9.261 -3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 337 -5.613 8.464 -6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 337 -7.141 8.882 -7.137 1.00 0.00 H new ATOM 0 HD13 ILE A 337 -6.617 9.796 -5.703 1.00 0.00 H new ATOM 220 N ALA A 338 -11.930 7.087 -4.922 1.00 0.00 N ATOM 221 CA ALA A 338 -13.350 7.407 -4.781 1.00 0.00 C ATOM 222 C ALA A 338 -13.907 7.007 -3.409 1.00 0.00 C ATOM 223 O ALA A 338 -14.805 7.665 -2.887 1.00 0.00 O ATOM 224 CB ALA A 338 -14.144 6.724 -5.882 1.00 0.00 C ATOM 0 H ALA A 338 -11.709 6.550 -5.761 1.00 0.00 H new ATOM 0 HA ALA A 338 -13.449 8.489 -4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 338 -15.201 6.966 -5.772 1.00 0.00 H new ATOM 0 HB2 ALA A 338 -13.792 7.071 -6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 338 -14.010 5.645 -5.812 1.00 0.00 H new ATOM 230 N ALA A 339 -13.377 5.934 -2.827 1.00 0.00 N ATOM 231 CA ALA A 339 -13.870 5.475 -1.530 1.00 0.00 C ATOM 232 C ALA A 339 -12.781 4.808 -0.692 1.00 0.00 C ATOM 233 O ALA A 339 -13.081 4.128 0.289 1.00 0.00 O ATOM 234 CB ALA A 339 -15.045 4.525 -1.724 1.00 0.00 C ATOM 0 H ALA A 339 -12.621 5.375 -3.223 1.00 0.00 H new ATOM 0 HA ALA A 339 -14.199 6.356 -0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 339 -15.405 4.189 -0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 339 -15.848 5.042 -2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 339 -14.724 3.664 -2.310 1.00 0.00 H new ATOM 240 N ASN A 340 -11.526 5.003 -1.058 1.00 0.00 N ATOM 241 CA ASN A 340 -10.429 4.391 -0.296 1.00 0.00 C ATOM 242 C ASN A 340 -9.436 5.431 0.156 1.00 0.00 C ATOM 243 O ASN A 340 -8.527 5.143 0.939 1.00 0.00 O ATOM 244 CB ASN A 340 -9.716 3.316 -1.120 1.00 0.00 C ATOM 245 CG ASN A 340 -10.605 2.129 -1.425 1.00 0.00 C ATOM 246 OD1 ASN A 340 -10.666 1.165 -0.660 1.00 0.00 O ATOM 247 ND2 ASN A 340 -11.298 2.189 -2.540 1.00 0.00 N ATOM 0 H ASN A 340 -11.236 5.565 -1.858 1.00 0.00 H new ATOM 0 HA ASN A 340 -10.868 3.921 0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 340 -9.367 3.753 -2.055 1.00 0.00 H new ATOM 0 HB3 ASN A 340 -8.834 2.975 -0.579 1.00 0.00 H new ATOM 0 HD21 ASN A 340 -11.915 1.419 -2.799 1.00 0.00 H new ATOM 0 HD22 ASN A 340 -11.219 3.006 -3.146 1.00 0.00 H new ATOM 254 N THR A 341 -9.604 6.634 -0.330 1.00 0.00 N ATOM 255 CA THR A 341 -8.700 7.714 -0.003 1.00 0.00 C ATOM 256 C THR A 341 -9.433 9.045 -0.063 1.00 0.00 C ATOM 257 O THR A 341 -10.513 9.131 -0.640 1.00 0.00 O ATOM 258 CB THR A 341 -7.508 7.746 -0.981 1.00 0.00 C ATOM 259 OG1 THR A 341 -7.539 6.585 -1.827 1.00 0.00 O ATOM 260 CG2 THR A 341 -6.201 7.777 -0.222 1.00 0.00 C ATOM 0 H THR A 341 -10.364 6.895 -0.959 1.00 0.00 H new ATOM 0 HA THR A 341 -8.325 7.547 1.007 1.00 0.00 H new ATOM 0 HB THR A 341 -7.586 8.646 -1.591 1.00 0.00 H new ATOM 0 HG1 THR A 341 -6.627 6.361 -2.109 1.00 0.00 H new ATOM 0 HG21 THR A 341 -5.371 7.799 -0.928 1.00 0.00 H new ATOM 0 HG22 THR A 341 -6.167 8.667 0.407 1.00 0.00 H new ATOM 0 HG23 THR A 341 -6.122 6.887 0.403 1.00 0.00 H new ATOM 268 N LYS A 342 -8.866 10.067 0.545 1.00 0.00 N ATOM 269 CA LYS A 342 -9.468 11.389 0.517 1.00 0.00 C ATOM 270 C LYS A 342 -8.402 12.441 0.333 1.00 0.00 C ATOM 271 O LYS A 342 -7.223 12.119 0.153 1.00 0.00 O ATOM 272 CB LYS A 342 -10.304 11.674 1.787 1.00 0.00 C ATOM 273 CG LYS A 342 -11.500 10.746 1.958 1.00 0.00 C ATOM 274 CD LYS A 342 -12.545 11.311 2.916 1.00 0.00 C ATOM 275 CE LYS A 342 -11.985 11.549 4.310 1.00 0.00 C ATOM 276 NZ LYS A 342 -13.059 11.897 5.277 1.00 0.00 N1+ ATOM 0 H LYS A 342 -7.990 10.010 1.065 1.00 0.00 H new ATOM 0 HA LYS A 342 -10.153 11.423 -0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -9.660 11.586 2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 342 -10.658 12.705 1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -11.961 10.569 0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -11.156 9.780 2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -12.930 12.249 2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -13.387 10.622 2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -11.463 10.655 4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -11.250 12.354 4.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -12.632 12.217 6.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -13.648 12.658 4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -13.650 11.060 5.456 1.00 0.00 H new ATOM 290 N GLU A 343 -8.802 13.687 0.375 1.00 0.00 N ATOM 291 CA GLU A 343 -7.885 14.784 0.166 1.00 0.00 C ATOM 292 C GLU A 343 -7.900 15.734 1.339 1.00 0.00 C ATOM 293 O GLU A 343 -8.741 15.628 2.236 1.00 0.00 O ATOM 294 CB GLU A 343 -8.265 15.547 -1.095 1.00 0.00 C ATOM 295 CG GLU A 343 -8.309 14.695 -2.341 1.00 0.00 C ATOM 296 CD GLU A 343 -8.935 15.424 -3.499 1.00 0.00 C ATOM 297 OE1 GLU A 343 -10.160 15.649 -3.470 1.00 0.00 O ATOM 298 OE2 GLU A 343 -8.210 15.773 -4.445 1.00 0.00 O1- ATOM 0 H GLU A 343 -9.765 13.971 0.554 1.00 0.00 H new ATOM 0 HA GLU A 343 -6.883 14.368 0.062 1.00 0.00 H new ATOM 0 HB2 GLU A 343 -9.242 16.007 -0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 343 -7.551 16.356 -1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 343 -7.297 14.391 -2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 343 -8.873 13.784 -2.138 1.00 0.00 H new ATOM 305 N CYS A 344 -6.965 16.662 1.322 1.00 0.00 N ATOM 306 CA CYS A 344 -6.880 17.685 2.328 1.00 0.00 C ATOM 307 C CYS A 344 -8.031 18.661 2.158 1.00 0.00 C ATOM 308 O CYS A 344 -8.351 19.064 1.040 1.00 0.00 O ATOM 309 CB CYS A 344 -5.548 18.420 2.202 1.00 0.00 C ATOM 310 SG CYS A 344 -5.308 19.785 3.381 1.00 0.00 S ATOM 0 H CYS A 344 -6.243 16.723 0.604 1.00 0.00 H new ATOM 0 HA CYS A 344 -6.941 17.229 3.316 1.00 0.00 H new ATOM 0 HB2 CYS A 344 -4.740 17.701 2.333 1.00 0.00 H new ATOM 0 HB3 CYS A 344 -5.463 18.815 1.190 1.00 0.00 H new ATOM 315 N PRO A 345 -8.678 19.039 3.246 1.00 0.00 N ATOM 316 CA PRO A 345 -9.769 19.991 3.208 1.00 0.00 C ATOM 317 C PRO A 345 -9.267 21.429 3.131 1.00 0.00 C ATOM 318 O PRO A 345 -10.057 22.371 3.100 1.00 0.00 O ATOM 319 CB PRO A 345 -10.497 19.741 4.526 1.00 0.00 C ATOM 320 CG PRO A 345 -9.437 19.250 5.455 1.00 0.00 C ATOM 321 CD PRO A 345 -8.410 18.550 4.608 1.00 0.00 C ATOM 0 HA PRO A 345 -10.402 19.864 2.330 1.00 0.00 H new ATOM 0 HB2 PRO A 345 -10.962 20.653 4.901 1.00 0.00 H new ATOM 0 HB3 PRO A 345 -11.291 19.004 4.406 1.00 0.00 H new ATOM 0 HG2 PRO A 345 -8.988 20.079 6.002 1.00 0.00 H new ATOM 0 HG3 PRO A 345 -9.857 18.569 6.196 1.00 0.00 H new ATOM 0 HD2 PRO A 345 -7.397 18.793 4.927 1.00 0.00 H new ATOM 0 HD3 PRO A 345 -8.512 17.467 4.670 1.00 0.00 H new ATOM 329 N LYS A 346 -7.956 21.586 3.081 1.00 0.00 N ATOM 330 CA LYS A 346 -7.353 22.892 3.021 1.00 0.00 C ATOM 331 C LYS A 346 -6.801 23.189 1.628 1.00 0.00 C ATOM 332 O LYS A 346 -7.184 24.175 1.001 1.00 0.00 O ATOM 333 CB LYS A 346 -6.261 23.022 4.098 1.00 0.00 C ATOM 334 CG LYS A 346 -5.202 24.070 3.792 1.00 0.00 C ATOM 335 CD LYS A 346 -4.389 24.462 5.024 1.00 0.00 C ATOM 336 CE LYS A 346 -5.263 24.982 6.158 1.00 0.00 C ATOM 337 NZ LYS A 346 -6.053 26.167 5.755 1.00 0.00 N1+ ATOM 0 H LYS A 346 -7.290 20.814 3.081 1.00 0.00 H new ATOM 0 HA LYS A 346 -8.124 23.635 3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -6.733 23.266 5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -5.773 22.055 4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -4.529 23.688 3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -5.683 24.958 3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -3.824 23.598 5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -3.664 25.227 4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -5.938 24.192 6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -4.635 25.239 7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -6.541 26.558 6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -5.419 26.888 5.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -6.756 25.889 5.040 1.00 0.00 H new ATOM 351 N CYS A 347 -5.926 22.330 1.140 1.00 0.00 N ATOM 352 CA CYS A 347 -5.306 22.550 -0.161 1.00 0.00 C ATOM 353 C CYS A 347 -5.798 21.550 -1.206 1.00 0.00 C ATOM 354 O CYS A 347 -5.426 21.636 -2.383 1.00 0.00 O ATOM 355 CB CYS A 347 -3.790 22.487 -0.032 1.00 0.00 C ATOM 356 SG CYS A 347 -3.166 20.946 0.692 1.00 0.00 S ATOM 0 H CYS A 347 -5.628 21.479 1.617 1.00 0.00 H new ATOM 0 HA CYS A 347 -5.597 23.543 -0.505 1.00 0.00 H new ATOM 0 HB2 CYS A 347 -3.347 22.616 -1.020 1.00 0.00 H new ATOM 0 HB3 CYS A 347 -3.454 23.324 0.580 1.00 0.00 H new ATOM 361 N HIS A 348 -6.625 20.611 -0.766 1.00 0.00 N ATOM 362 CA HIS A 348 -7.197 19.582 -1.634 1.00 0.00 C ATOM 363 C HIS A 348 -6.118 18.742 -2.301 1.00 0.00 C ATOM 364 O HIS A 348 -6.071 18.617 -3.525 1.00 0.00 O ATOM 365 CB HIS A 348 -8.145 20.179 -2.686 1.00 0.00 C ATOM 366 CG HIS A 348 -9.442 20.678 -2.125 1.00 0.00 C ATOM 367 ND1 HIS A 348 -10.579 19.900 -2.144 1.00 0.00 N ATOM 368 CD2 HIS A 348 -9.733 21.875 -1.562 1.00 0.00 C ATOM 369 CE1 HIS A 348 -11.530 20.641 -1.596 1.00 0.00 C ATOM 370 NE2 HIS A 348 -11.066 21.842 -1.230 1.00 0.00 N ATOM 0 H HIS A 348 -6.921 20.539 0.207 1.00 0.00 H new ATOM 0 HA HIS A 348 -7.784 18.926 -0.991 1.00 0.00 H new ATOM 0 HB2 HIS A 348 -7.639 21.002 -3.191 1.00 0.00 H new ATOM 0 HB3 HIS A 348 -8.355 19.422 -3.442 1.00 0.00 H new ATOM 0 HD2 HIS A 348 -9.050 22.696 -1.405 1.00 0.00 H new ATOM 0 HE1 HIS A 348 -12.551 20.317 -1.461 1.00 0.00 H new ATOM 0 HE2 HIS A 348 -11.600 22.590 -0.789 1.00 0.00 H new ATOM 378 N VAL A 349 -5.250 18.180 -1.492 1.00 0.00 N ATOM 379 CA VAL A 349 -4.206 17.309 -1.985 1.00 0.00 C ATOM 380 C VAL A 349 -4.529 15.873 -1.589 1.00 0.00 C ATOM 381 O VAL A 349 -5.000 15.631 -0.478 1.00 0.00 O ATOM 382 CB VAL A 349 -2.806 17.719 -1.433 1.00 0.00 C ATOM 383 CG1 VAL A 349 -2.766 17.623 0.073 1.00 0.00 C ATOM 384 CG2 VAL A 349 -1.700 16.881 -2.050 1.00 0.00 C ATOM 0 H VAL A 349 -5.246 18.312 -0.481 1.00 0.00 H new ATOM 0 HA VAL A 349 -4.165 17.397 -3.071 1.00 0.00 H new ATOM 0 HB VAL A 349 -2.637 18.759 -1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 349 -1.778 17.915 0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 349 -3.517 18.288 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 349 -2.974 16.597 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 349 -0.738 17.193 -1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 349 -1.868 15.829 -1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 349 -1.699 17.019 -3.131 1.00 0.00 H new ATOM 394 N THR A 350 -4.316 14.936 -2.494 1.00 0.00 N ATOM 395 CA THR A 350 -4.602 13.543 -2.214 1.00 0.00 C ATOM 396 C THR A 350 -3.700 13.021 -1.099 1.00 0.00 C ATOM 397 O THR A 350 -2.473 12.997 -1.232 1.00 0.00 O ATOM 398 CB THR A 350 -4.426 12.672 -3.468 1.00 0.00 C ATOM 399 OG1 THR A 350 -5.098 13.291 -4.577 1.00 0.00 O ATOM 400 CG2 THR A 350 -5.015 11.288 -3.243 1.00 0.00 C ATOM 0 H THR A 350 -3.946 15.115 -3.428 1.00 0.00 H new ATOM 0 HA THR A 350 -5.642 13.483 -1.893 1.00 0.00 H new ATOM 0 HB THR A 350 -3.361 12.576 -3.679 1.00 0.00 H new ATOM 0 HG1 THR A 350 -4.985 12.738 -5.378 1.00 0.00 H new ATOM 0 HG21 THR A 350 -4.881 10.685 -4.141 1.00 0.00 H new ATOM 0 HG22 THR A 350 -4.508 10.809 -2.406 1.00 0.00 H new ATOM 0 HG23 THR A 350 -6.078 11.377 -3.021 1.00 0.00 H new ATOM 408 N ILE A 351 -4.311 12.626 -0.001 1.00 0.00 N ATOM 409 CA ILE A 351 -3.585 12.104 1.131 1.00 0.00 C ATOM 410 C ILE A 351 -3.832 10.610 1.227 1.00 0.00 C ATOM 411 O ILE A 351 -4.303 10.004 0.275 1.00 0.00 O ATOM 412 CB ILE A 351 -4.016 12.799 2.449 1.00 0.00 C ATOM 413 CG1 ILE A 351 -5.475 12.488 2.763 1.00 0.00 C ATOM 414 CG2 ILE A 351 -3.799 14.307 2.361 1.00 0.00 C ATOM 415 CD1 ILE A 351 -6.034 13.292 3.909 1.00 0.00 C ATOM 0 H ILE A 351 -5.322 12.659 0.129 1.00 0.00 H new ATOM 0 HA ILE A 351 -2.523 12.301 0.987 1.00 0.00 H new ATOM 0 HB ILE A 351 -3.397 12.411 3.258 1.00 0.00 H new ATOM 0 HG12 ILE A 351 -6.076 12.674 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 351 -5.569 11.427 2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 351 -4.108 14.774 3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 351 -2.743 14.513 2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 351 -4.390 14.712 1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 351 -7.076 13.016 4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 351 -5.458 13.088 4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 351 -5.973 14.354 3.672 1.00 0.00 H new ATOM 427 N GLU A 352 -3.519 10.022 2.362 1.00 0.00 N ATOM 428 CA GLU A 352 -3.730 8.599 2.562 1.00 0.00 C ATOM 429 C GLU A 352 -3.722 8.289 4.048 1.00 0.00 C ATOM 430 O GLU A 352 -2.786 8.658 4.768 1.00 0.00 O ATOM 431 CB GLU A 352 -2.660 7.796 1.833 1.00 0.00 C ATOM 432 CG GLU A 352 -2.955 6.320 1.738 1.00 0.00 C ATOM 433 CD GLU A 352 -1.826 5.555 1.082 1.00 0.00 C ATOM 434 OE1 GLU A 352 -0.657 6.006 1.178 1.00 0.00 O1- ATOM 435 OE2 GLU A 352 -2.091 4.510 0.468 1.00 0.00 O ATOM 0 H GLU A 352 -3.116 10.507 3.164 1.00 0.00 H new ATOM 0 HA GLU A 352 -4.699 8.317 2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 352 -2.542 8.198 0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 352 -1.707 7.933 2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 352 -3.130 5.921 2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 352 -3.873 6.170 1.169 1.00 0.00 H new ATOM 442 N LYS A 353 -4.767 7.626 4.503 1.00 0.00 N ATOM 443 CA LYS A 353 -4.953 7.348 5.918 1.00 0.00 C ATOM 444 C LYS A 353 -4.148 6.139 6.396 1.00 0.00 C ATOM 445 O LYS A 353 -3.967 5.155 5.667 1.00 0.00 O ATOM 446 CB LYS A 353 -6.439 7.142 6.225 1.00 0.00 C ATOM 447 CG LYS A 353 -6.768 7.098 7.712 1.00 0.00 C ATOM 448 CD LYS A 353 -6.418 8.410 8.389 1.00 0.00 C ATOM 449 CE LYS A 353 -6.788 8.401 9.858 1.00 0.00 C ATOM 450 NZ LYS A 353 -6.234 9.575 10.569 1.00 0.00 N1+ ATOM 0 H LYS A 353 -5.511 7.265 3.906 1.00 0.00 H new ATOM 0 HA LYS A 353 -4.579 8.216 6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 353 -7.009 7.947 5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 353 -6.768 6.211 5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 353 -7.829 6.888 7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 353 -6.219 6.284 8.185 1.00 0.00 H new ATOM 0 HD2 LYS A 353 -5.350 8.599 8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 353 -6.937 9.227 7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 353 -7.873 8.393 9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 353 -6.417 7.487 10.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 -5.967 9.301 11.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 -5.394 9.922 10.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 -6.951 10.328 10.607 1.00 0.00 H new ATOM 464 N ASP A 354 -3.674 6.241 7.632 1.00 0.00 N ATOM 465 CA ASP A 354 -2.944 5.171 8.302 1.00 0.00 C ATOM 466 C ASP A 354 -3.900 4.043 8.674 1.00 0.00 C ATOM 467 O ASP A 354 -3.699 2.887 8.295 1.00 0.00 O ATOM 468 CB ASP A 354 -2.264 5.730 9.565 1.00 0.00 C ATOM 469 CG ASP A 354 -1.827 4.657 10.543 1.00 0.00 C ATOM 470 OD1 ASP A 354 -0.716 4.099 10.375 1.00 0.00 O ATOM 471 OD2 ASP A 354 -2.588 4.372 11.492 1.00 0.00 O1- ATOM 0 H ASP A 354 -3.787 7.078 8.204 1.00 0.00 H new ATOM 0 HA ASP A 354 -2.182 4.775 7.630 1.00 0.00 H new ATOM 0 HB2 ASP A 354 -1.394 6.317 9.270 1.00 0.00 H new ATOM 0 HB3 ASP A 354 -2.952 6.410 10.068 1.00 0.00 H new ATOM 476 N GLY A 355 -4.939 4.390 9.416 1.00 0.00 N ATOM 477 CA GLY A 355 -5.932 3.419 9.798 1.00 0.00 C ATOM 478 C GLY A 355 -6.268 3.479 11.272 1.00 0.00 C ATOM 479 O GLY A 355 -7.425 3.316 11.653 1.00 0.00 O ATOM 0 H GLY A 355 -5.110 5.335 9.761 1.00 0.00 H new ATOM 0 HA2 GLY A 355 -6.839 3.584 9.216 1.00 0.00 H new ATOM 0 HA3 GLY A 355 -5.572 2.420 9.552 1.00 0.00 H new ATOM 483 N GLY A 356 -5.266 3.734 12.098 1.00 0.00 N ATOM 484 CA GLY A 356 -5.487 3.775 13.531 1.00 0.00 C ATOM 485 C GLY A 356 -5.873 5.152 14.040 1.00 0.00 C ATOM 486 O GLY A 356 -7.059 5.479 14.130 1.00 0.00 O ATOM 0 H GLY A 356 -4.306 3.913 11.805 1.00 0.00 H new ATOM 0 HA2 GLY A 356 -6.273 3.066 13.791 1.00 0.00 H new ATOM 0 HA3 GLY A 356 -4.581 3.448 14.041 1.00 0.00 H new ATOM 490 N SER A 357 -4.871 5.954 14.358 1.00 0.00 N ATOM 491 CA SER A 357 -5.077 7.294 14.905 1.00 0.00 C ATOM 492 C SER A 357 -5.841 8.199 13.927 1.00 0.00 C ATOM 493 O SER A 357 -5.752 8.035 12.708 1.00 0.00 O ATOM 494 CB SER A 357 -3.723 7.912 15.231 1.00 0.00 C ATOM 495 OG SER A 357 -2.936 7.016 15.995 1.00 0.00 O ATOM 0 H SER A 357 -3.890 5.699 14.246 1.00 0.00 H new ATOM 0 HA SER A 357 -5.680 7.205 15.808 1.00 0.00 H new ATOM 0 HB2 SER A 357 -3.202 8.166 14.308 1.00 0.00 H new ATOM 0 HB3 SER A 357 -3.865 8.841 15.783 1.00 0.00 H new ATOM 0 HG SER A 357 -2.070 7.429 16.193 1.00 0.00 H new ATOM 501 N ASN A 358 -6.572 9.171 14.470 1.00 0.00 N ATOM 502 CA ASN A 358 -7.338 10.107 13.664 1.00 0.00 C ATOM 503 C ASN A 358 -6.471 11.242 13.227 1.00 0.00 C ATOM 504 O ASN A 358 -6.803 11.949 12.274 1.00 0.00 O ATOM 505 CB ASN A 358 -8.534 10.660 14.431 1.00 0.00 C ATOM 506 CG ASN A 358 -9.807 9.896 14.170 1.00 0.00 C ATOM 507 OD1 ASN A 358 -9.787 8.697 13.907 1.00 0.00 O ATOM 508 ND2 ASN A 358 -10.923 10.592 14.218 1.00 0.00 N ATOM 0 H ASN A 358 -6.647 9.328 15.475 1.00 0.00 H new ATOM 0 HA ASN A 358 -7.705 9.563 12.794 1.00 0.00 H new ATOM 0 HB2 ASN A 358 -8.316 10.637 15.499 1.00 0.00 H new ATOM 0 HB3 ASN A 358 -8.682 11.705 14.158 1.00 0.00 H new ATOM 0 HD21 ASN A 358 -11.817 10.136 14.033 1.00 0.00 H new ATOM 0 HD22 ASN A 358 -10.894 11.587 14.441 1.00 0.00 H new ATOM 515 N HIS A 359 -5.349 11.406 13.922 1.00 0.00 N ATOM 516 CA HIS A 359 -4.393 12.458 13.631 1.00 0.00 C ATOM 517 C HIS A 359 -3.843 12.301 12.212 1.00 0.00 C ATOM 518 O HIS A 359 -2.862 11.597 11.977 1.00 0.00 O ATOM 519 CB HIS A 359 -3.249 12.436 14.658 1.00 0.00 C ATOM 520 CG HIS A 359 -2.485 13.729 14.768 1.00 0.00 C ATOM 521 ND1 HIS A 359 -1.822 14.066 15.924 1.00 0.00 N ATOM 522 CD2 HIS A 359 -2.312 14.717 13.856 1.00 0.00 C ATOM 523 CE1 HIS A 359 -1.264 15.241 15.691 1.00 0.00 C ATOM 524 NE2 HIS A 359 -1.532 15.673 14.455 1.00 0.00 N ATOM 0 H HIS A 359 -5.081 10.809 14.704 1.00 0.00 H new ATOM 0 HA HIS A 359 -4.901 13.420 13.698 1.00 0.00 H new ATOM 0 HB2 HIS A 359 -3.660 12.187 15.636 1.00 0.00 H new ATOM 0 HB3 HIS A 359 -2.554 11.639 14.392 1.00 0.00 H new ATOM 0 HD2 HIS A 359 -2.711 14.746 12.853 1.00 0.00 H new ATOM 0 HE1 HIS A 359 -0.667 15.784 16.409 1.00 0.00 H new ATOM 0 HE2 HIS A 359 -1.216 16.548 14.036 1.00 0.00 H new ATOM 532 N MET A 360 -4.531 12.903 11.281 1.00 0.00 N ATOM 533 CA MET A 360 -4.134 12.891 9.888 1.00 0.00 C ATOM 534 C MET A 360 -3.478 14.210 9.506 1.00 0.00 C ATOM 535 O MET A 360 -4.053 15.283 9.695 1.00 0.00 O ATOM 536 CB MET A 360 -5.353 12.585 8.991 1.00 0.00 C ATOM 537 CG MET A 360 -5.258 13.146 7.578 1.00 0.00 C ATOM 538 SD MET A 360 -3.890 12.456 6.628 1.00 0.00 S ATOM 539 CE MET A 360 -4.509 10.821 6.292 1.00 0.00 C ATOM 0 H MET A 360 -5.390 13.421 11.463 1.00 0.00 H new ATOM 0 HA MET A 360 -3.397 12.102 9.737 1.00 0.00 H new ATOM 0 HB2 MET A 360 -5.481 11.504 8.931 1.00 0.00 H new ATOM 0 HB3 MET A 360 -6.248 12.986 9.467 1.00 0.00 H new ATOM 0 HG2 MET A 360 -6.192 12.949 7.052 1.00 0.00 H new ATOM 0 HG3 MET A 360 -5.145 14.229 7.631 1.00 0.00 H new ATOM 0 HE1 MET A 360 -3.814 10.080 6.687 1.00 0.00 H new ATOM 0 HE2 MET A 360 -5.482 10.695 6.767 1.00 0.00 H new ATOM 0 HE3 MET A 360 -4.611 10.685 5.215 1.00 0.00 H new ATOM 549 N VAL A 361 -2.272 14.122 8.984 1.00 0.00 N ATOM 550 CA VAL A 361 -1.527 15.297 8.594 1.00 0.00 C ATOM 551 C VAL A 361 -1.360 15.344 7.085 1.00 0.00 C ATOM 552 O VAL A 361 -1.051 14.322 6.447 1.00 0.00 O ATOM 553 CB VAL A 361 -0.130 15.332 9.260 1.00 0.00 C ATOM 554 CG1 VAL A 361 0.568 16.656 8.980 1.00 0.00 C ATOM 555 CG2 VAL A 361 -0.236 15.078 10.758 1.00 0.00 C ATOM 0 H VAL A 361 -1.785 13.241 8.820 1.00 0.00 H new ATOM 0 HA VAL A 361 -2.095 16.165 8.929 1.00 0.00 H new ATOM 0 HB VAL A 361 0.473 14.534 8.827 1.00 0.00 H new ATOM 0 HG11 VAL A 361 1.548 16.659 9.457 1.00 0.00 H new ATOM 0 HG12 VAL A 361 0.688 16.784 7.904 1.00 0.00 H new ATOM 0 HG13 VAL A 361 -0.032 17.475 9.378 1.00 0.00 H new ATOM 0 HG21 VAL A 361 0.758 15.108 11.203 1.00 0.00 H new ATOM 0 HG22 VAL A 361 -0.861 15.846 11.214 1.00 0.00 H new ATOM 0 HG23 VAL A 361 -0.682 14.098 10.930 1.00 0.00 H new ATOM 565 N CYS A 362 -1.570 16.523 6.517 1.00 0.00 N ATOM 566 CA CYS A 362 -1.440 16.744 5.087 1.00 0.00 C ATOM 567 C CYS A 362 -0.046 16.361 4.593 1.00 0.00 C ATOM 568 O CYS A 362 0.923 16.334 5.361 1.00 0.00 O ATOM 569 CB CYS A 362 -1.717 18.207 4.762 1.00 0.00 C ATOM 570 SG CYS A 362 -1.736 18.588 2.991 1.00 0.00 S ATOM 0 H CYS A 362 -1.837 17.357 7.040 1.00 0.00 H new ATOM 0 HA CYS A 362 -2.168 16.112 4.579 1.00 0.00 H new ATOM 0 HB2 CYS A 362 -2.679 18.487 5.192 1.00 0.00 H new ATOM 0 HB3 CYS A 362 -0.960 18.824 5.246 1.00 0.00 H new ATOM 575 N ARG A 363 0.049 16.077 3.310 1.00 0.00 N ATOM 576 CA ARG A 363 1.310 15.679 2.708 1.00 0.00 C ATOM 577 C ARG A 363 1.930 16.870 2.014 1.00 0.00 C ATOM 578 O ARG A 363 3.147 16.936 1.825 1.00 0.00 O ATOM 579 CB ARG A 363 1.107 14.560 1.680 1.00 0.00 C ATOM 580 CG ARG A 363 -0.121 13.682 1.923 1.00 0.00 C ATOM 581 CD ARG A 363 -0.123 13.058 3.318 1.00 0.00 C ATOM 582 NE ARG A 363 1.010 12.167 3.529 1.00 0.00 N ATOM 583 CZ ARG A 363 1.547 11.898 4.719 1.00 0.00 C ATOM 584 NH1 ARG A 363 1.080 12.490 5.821 1.00 0.00 N1+ ATOM 585 NH2 ARG A 363 2.549 11.034 4.808 1.00 0.00 N ATOM 0 H ARG A 363 -0.735 16.114 2.659 1.00 0.00 H new ATOM 0 HA ARG A 363 1.963 15.312 3.500 1.00 0.00 H new ATOM 0 HB2 ARG A 363 1.027 15.006 0.689 1.00 0.00 H new ATOM 0 HB3 ARG A 363 1.994 13.926 1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 363 -1.023 14.280 1.794 1.00 0.00 H new ATOM 0 HG3 ARG A 363 -0.153 12.891 1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 363 -0.104 13.849 4.067 1.00 0.00 H new ATOM 0 HD3 ARG A 363 -1.050 12.503 3.464 1.00 0.00 H new ATOM 0 HE ARG A 363 1.420 11.718 2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 363 0.307 13.153 5.756 1.00 0.00 H new ATOM 0 HH12 ARG A 363 1.496 12.279 6.728 1.00 0.00 H new ATOM 0 HH21 ARG A 363 2.906 10.578 3.968 1.00 0.00 H new ATOM 0 HH22 ARG A 363 2.963 10.825 5.716 1.00 0.00 H new ATOM 599 N ASN A 364 1.079 17.807 1.632 1.00 0.00 N ATOM 600 CA ASN A 364 1.504 18.998 0.935 1.00 0.00 C ATOM 601 C ASN A 364 2.412 19.833 1.816 1.00 0.00 C ATOM 602 O ASN A 364 2.028 20.258 2.896 1.00 0.00 O ATOM 603 CB ASN A 364 0.282 19.807 0.481 1.00 0.00 C ATOM 604 CG ASN A 364 0.631 21.110 -0.209 1.00 0.00 C ATOM 605 OD1 ASN A 364 1.730 21.282 -0.746 1.00 0.00 O ATOM 606 ND2 ASN A 364 -0.316 22.023 -0.228 1.00 0.00 N ATOM 0 H ASN A 364 0.074 17.759 1.799 1.00 0.00 H new ATOM 0 HA ASN A 364 2.070 18.706 0.051 1.00 0.00 H new ATOM 0 HB2 ASN A 364 -0.314 19.196 -0.197 1.00 0.00 H new ATOM 0 HB3 ASN A 364 -0.342 20.022 1.348 1.00 0.00 H new ATOM 0 HD21 ASN A 364 -0.156 22.914 -0.699 1.00 0.00 H new ATOM 0 HD22 ASN A 364 -1.210 21.840 0.228 1.00 0.00 H new ATOM 613 N GLN A 365 3.625 20.048 1.340 1.00 0.00 N ATOM 614 CA GLN A 365 4.624 20.829 2.067 1.00 0.00 C ATOM 615 C GLN A 365 4.266 22.310 2.099 1.00 0.00 C ATOM 616 O GLN A 365 4.893 23.091 2.796 1.00 0.00 O ATOM 617 CB GLN A 365 6.016 20.634 1.466 1.00 0.00 C ATOM 618 CG GLN A 365 6.039 20.550 -0.051 1.00 0.00 C ATOM 619 CD GLN A 365 6.000 19.117 -0.575 1.00 0.00 C ATOM 620 OE1 GLN A 365 6.495 18.835 -1.663 1.00 0.00 O ATOM 621 NE2 GLN A 365 5.439 18.202 0.202 1.00 0.00 N ATOM 0 H GLN A 365 3.950 19.690 0.442 1.00 0.00 H new ATOM 0 HA GLN A 365 4.633 20.463 3.094 1.00 0.00 H new ATOM 0 HB2 GLN A 365 6.654 21.460 1.782 1.00 0.00 H new ATOM 0 HB3 GLN A 365 6.450 19.722 1.875 1.00 0.00 H new ATOM 0 HG2 GLN A 365 5.187 21.100 -0.452 1.00 0.00 H new ATOM 0 HG3 GLN A 365 6.939 21.041 -0.422 1.00 0.00 H new ATOM 0 HE21 GLN A 365 5.037 18.472 1.100 1.00 0.00 H new ATOM 0 HE22 GLN A 365 5.409 17.228 -0.098 1.00 0.00 H new ATOM 630 N ASN A 366 3.265 22.678 1.335 1.00 0.00 N ATOM 631 CA ASN A 366 2.766 24.048 1.324 1.00 0.00 C ATOM 632 C ASN A 366 1.533 24.135 2.200 1.00 0.00 C ATOM 633 O ASN A 366 0.785 25.114 2.159 1.00 0.00 O ATOM 634 CB ASN A 366 2.412 24.487 -0.099 1.00 0.00 C ATOM 635 CG ASN A 366 3.618 24.582 -1.001 1.00 0.00 C ATOM 636 OD1 ASN A 366 4.275 25.623 -1.068 1.00 0.00 O ATOM 637 ND2 ASN A 366 3.913 23.510 -1.714 1.00 0.00 N ATOM 0 H ASN A 366 2.771 22.047 0.704 1.00 0.00 H new ATOM 0 HA ASN A 366 3.545 24.708 1.705 1.00 0.00 H new ATOM 0 HB2 ASN A 366 1.700 23.780 -0.525 1.00 0.00 H new ATOM 0 HB3 ASN A 366 1.915 25.456 -0.062 1.00 0.00 H new ATOM 0 HD21 ASN A 366 4.711 23.524 -2.350 1.00 0.00 H new ATOM 0 HD22 ASN A 366 3.343 22.668 -1.629 1.00 0.00 H new ATOM 644 N CYS A 367 1.327 23.097 2.993 1.00 0.00 N ATOM 645 CA CYS A 367 0.176 23.004 3.849 1.00 0.00 C ATOM 646 C CYS A 367 0.560 22.406 5.191 1.00 0.00 C ATOM 647 O CYS A 367 0.754 23.128 6.172 1.00 0.00 O ATOM 648 CB CYS A 367 -0.879 22.140 3.178 1.00 0.00 C ATOM 649 SG CYS A 367 -2.418 21.951 4.120 1.00 0.00 S ATOM 0 H CYS A 367 1.959 22.299 3.055 1.00 0.00 H new ATOM 0 HA CYS A 367 -0.224 24.003 4.020 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -1.116 22.570 2.205 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -0.457 21.152 2.996 1.00 0.00 H new ATOM 654 N LYS A 368 0.715 21.075 5.210 1.00 0.00 N ATOM 655 CA LYS A 368 1.070 20.334 6.426 1.00 0.00 C ATOM 656 C LYS A 368 -0.007 20.492 7.494 1.00 0.00 C ATOM 657 O LYS A 368 0.270 20.378 8.690 1.00 0.00 O ATOM 658 CB LYS A 368 2.420 20.817 6.955 1.00 0.00 C ATOM 659 CG LYS A 368 3.544 20.667 5.951 1.00 0.00 C ATOM 660 CD LYS A 368 4.609 21.738 6.123 1.00 0.00 C ATOM 661 CE LYS A 368 4.106 23.125 5.699 1.00 0.00 C ATOM 662 NZ LYS A 368 3.362 23.831 6.778 1.00 0.00 N1+ ATOM 0 H LYS A 368 0.598 20.485 4.386 1.00 0.00 H new ATOM 0 HA LYS A 368 1.144 19.276 6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 368 2.336 21.865 7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 368 2.670 20.258 7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 368 3.999 19.683 6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 368 3.137 20.719 4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 368 4.925 21.770 7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 368 5.486 21.475 5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 368 4.956 23.735 5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 368 3.459 23.020 4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 3.593 24.845 6.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 2.340 23.706 6.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 3.632 23.437 7.702 1.00 0.00 H new ATOM 676 N ALA A 369 -1.231 20.742 7.053 1.00 0.00 N ATOM 677 CA ALA A 369 -2.348 20.919 7.957 1.00 0.00 C ATOM 678 C ALA A 369 -2.671 19.624 8.683 1.00 0.00 C ATOM 679 O ALA A 369 -2.728 18.557 8.076 1.00 0.00 O ATOM 680 CB ALA A 369 -3.571 21.419 7.200 1.00 0.00 C ATOM 0 H ALA A 369 -1.473 20.827 6.066 1.00 0.00 H new ATOM 0 HA ALA A 369 -2.066 21.665 8.700 1.00 0.00 H new ATOM 0 HB1 ALA A 369 -4.402 21.547 7.894 1.00 0.00 H new ATOM 0 HB2 ALA A 369 -3.342 22.375 6.729 1.00 0.00 H new ATOM 0 HB3 ALA A 369 -3.846 20.694 6.434 1.00 0.00 H new ATOM 686 N GLU A 370 -2.860 19.720 9.980 1.00 0.00 N ATOM 687 CA GLU A 370 -3.220 18.573 10.780 1.00 0.00 C ATOM 688 C GLU A 370 -4.713 18.602 11.043 1.00 0.00 C ATOM 689 O GLU A 370 -5.226 19.529 11.680 1.00 0.00 O ATOM 690 CB GLU A 370 -2.424 18.560 12.088 1.00 0.00 C ATOM 691 CG GLU A 370 -0.920 18.612 11.868 1.00 0.00 C ATOM 692 CD GLU A 370 -0.127 18.461 13.139 1.00 0.00 C ATOM 693 OE1 GLU A 370 0.077 19.466 13.845 1.00 0.00 O ATOM 694 OE2 GLU A 370 0.306 17.337 13.439 1.00 0.00 O1- ATOM 0 H GLU A 370 -2.769 20.589 10.506 1.00 0.00 H new ATOM 0 HA GLU A 370 -2.975 17.658 10.241 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -2.726 19.410 12.699 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -2.673 17.659 12.650 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -0.634 17.822 11.173 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -0.661 19.560 11.397 1.00 0.00 H new ATOM 701 N PHE A 371 -5.413 17.610 10.542 1.00 0.00 N ATOM 702 CA PHE A 371 -6.858 17.586 10.643 1.00 0.00 C ATOM 703 C PHE A 371 -7.393 16.200 10.964 1.00 0.00 C ATOM 704 O PHE A 371 -6.666 15.200 10.917 1.00 0.00 O ATOM 705 CB PHE A 371 -7.491 18.110 9.341 1.00 0.00 C ATOM 706 CG PHE A 371 -6.954 17.469 8.090 1.00 0.00 C ATOM 707 CD1 PHE A 371 -5.860 18.011 7.436 1.00 0.00 C ATOM 708 CD2 PHE A 371 -7.544 16.330 7.569 1.00 0.00 C ATOM 709 CE1 PHE A 371 -5.364 17.431 6.289 1.00 0.00 C ATOM 710 CE2 PHE A 371 -7.051 15.746 6.421 1.00 0.00 C ATOM 711 CZ PHE A 371 -5.958 16.298 5.780 1.00 0.00 C ATOM 0 H PHE A 371 -5.007 16.808 10.060 1.00 0.00 H new ATOM 0 HA PHE A 371 -7.134 18.239 11.471 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -8.568 17.949 9.384 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -7.332 19.187 9.281 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -5.390 18.900 7.830 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -8.398 15.895 8.066 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -4.510 17.865 5.790 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -7.519 14.858 6.023 1.00 0.00 H new ATOM 0 HZ PHE A 371 -5.570 15.841 4.881 1.00 0.00 H new ATOM 721 N CYS A 372 -8.669 16.155 11.290 1.00 0.00 N ATOM 722 CA CYS A 372 -9.343 14.919 11.579 1.00 0.00 C ATOM 723 C CYS A 372 -9.799 14.302 10.283 1.00 0.00 C ATOM 724 O CYS A 372 -10.719 14.789 9.668 1.00 0.00 O ATOM 725 CB CYS A 372 -10.549 15.174 12.479 1.00 0.00 C ATOM 726 SG CYS A 372 -11.441 13.663 12.996 1.00 0.00 S ATOM 0 H CYS A 372 -9.264 16.981 11.360 1.00 0.00 H new ATOM 0 HA CYS A 372 -8.661 14.244 12.095 1.00 0.00 H new ATOM 0 HB2 CYS A 372 -10.216 15.707 13.370 1.00 0.00 H new ATOM 0 HB3 CYS A 372 -11.244 15.831 11.956 1.00 0.00 H new ATOM 731 N TRP A 373 -9.136 13.251 9.873 1.00 0.00 N ATOM 732 CA TRP A 373 -9.463 12.558 8.630 1.00 0.00 C ATOM 733 C TRP A 373 -10.953 12.230 8.505 1.00 0.00 C ATOM 734 O TRP A 373 -11.533 12.386 7.434 1.00 0.00 O ATOM 735 CB TRP A 373 -8.636 11.277 8.528 1.00 0.00 C ATOM 736 CG TRP A 373 -9.211 10.232 7.616 1.00 0.00 C ATOM 737 CD1 TRP A 373 -10.163 9.311 7.936 1.00 0.00 C ATOM 738 CD2 TRP A 373 -8.866 9.990 6.253 1.00 0.00 C ATOM 739 NE1 TRP A 373 -10.424 8.508 6.861 1.00 0.00 N ATOM 740 CE2 TRP A 373 -9.644 8.901 5.813 1.00 0.00 C ATOM 741 CE3 TRP A 373 -7.978 10.582 5.362 1.00 0.00 C ATOM 742 CZ2 TRP A 373 -9.553 8.395 4.522 1.00 0.00 C ATOM 743 CZ3 TRP A 373 -7.891 10.079 4.080 1.00 0.00 C ATOM 744 CH2 TRP A 373 -8.674 8.997 3.673 1.00 0.00 C ATOM 0 H TRP A 373 -8.353 12.843 10.383 1.00 0.00 H new ATOM 0 HA TRP A 373 -9.220 13.233 7.809 1.00 0.00 H new ATOM 0 HB2 TRP A 373 -7.635 11.533 8.180 1.00 0.00 H new ATOM 0 HB3 TRP A 373 -8.527 10.850 9.525 1.00 0.00 H new ATOM 0 HD1 TRP A 373 -10.642 9.228 8.900 1.00 0.00 H new ATOM 0 HE1 TRP A 373 -11.094 7.739 6.845 1.00 0.00 H new ATOM 0 HE3 TRP A 373 -7.368 11.419 5.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 373 -10.156 7.557 4.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 373 -7.205 10.530 3.379 1.00 0.00 H new ATOM 0 HH2 TRP A 373 -8.581 8.629 2.662 1.00 0.00 H new ATOM 755 N VAL A 374 -11.554 11.784 9.598 1.00 0.00 N ATOM 756 CA VAL A 374 -12.945 11.326 9.584 1.00 0.00 C ATOM 757 C VAL A 374 -13.899 12.391 9.054 1.00 0.00 C ATOM 758 O VAL A 374 -14.538 12.201 8.017 1.00 0.00 O ATOM 759 CB VAL A 374 -13.405 10.877 10.985 1.00 0.00 C ATOM 760 CG1 VAL A 374 -14.824 10.335 10.936 1.00 0.00 C ATOM 761 CG2 VAL A 374 -12.454 9.836 11.542 1.00 0.00 C ATOM 0 H VAL A 374 -11.103 11.727 10.511 1.00 0.00 H new ATOM 0 HA VAL A 374 -12.976 10.472 8.907 1.00 0.00 H new ATOM 0 HB VAL A 374 -13.396 11.744 11.646 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -15.129 10.024 11.935 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -15.498 11.112 10.576 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -14.864 9.480 10.261 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -12.791 9.528 12.532 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -12.434 8.970 10.880 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -11.453 10.260 11.615 1.00 0.00 H new ATOM 771 N CYS A 375 -13.979 13.508 9.748 1.00 0.00 N ATOM 772 CA CYS A 375 -14.878 14.574 9.353 1.00 0.00 C ATOM 773 C CYS A 375 -14.177 15.574 8.449 1.00 0.00 C ATOM 774 O CYS A 375 -14.808 16.486 7.914 1.00 0.00 O ATOM 775 CB CYS A 375 -15.422 15.284 10.595 1.00 0.00 C ATOM 776 SG CYS A 375 -14.133 15.900 11.733 1.00 0.00 S ATOM 0 H CYS A 375 -13.433 13.701 10.588 1.00 0.00 H new ATOM 0 HA CYS A 375 -15.705 14.134 8.796 1.00 0.00 H new ATOM 0 HB2 CYS A 375 -16.041 16.123 10.278 1.00 0.00 H new ATOM 0 HB3 CYS A 375 -16.071 14.596 11.137 1.00 0.00 H new ATOM 781 N LEU A 376 -12.870 15.391 8.283 1.00 0.00 N ATOM 782 CA LEU A 376 -12.032 16.318 7.517 1.00 0.00 C ATOM 783 C LEU A 376 -12.068 17.707 8.138 1.00 0.00 C ATOM 784 O LEU A 376 -11.880 18.714 7.458 1.00 0.00 O ATOM 785 CB LEU A 376 -12.428 16.357 6.033 1.00 0.00 C ATOM 786 CG LEU A 376 -11.976 15.161 5.192 1.00 0.00 C ATOM 787 CD1 LEU A 376 -12.421 15.324 3.751 1.00 0.00 C ATOM 788 CD2 LEU A 376 -10.465 14.993 5.263 1.00 0.00 C ATOM 0 H LEU A 376 -12.360 14.599 8.673 1.00 0.00 H new ATOM 0 HA LEU A 376 -11.007 15.951 7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 376 -13.513 16.434 5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 376 -12.017 17.264 5.590 1.00 0.00 H new ATOM 0 HG LEU A 376 -12.442 14.264 5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 376 -12.090 14.464 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 376 -13.508 15.393 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 376 -11.985 16.233 3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 376 -10.165 14.137 4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 376 -9.981 15.893 4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 376 -10.165 14.828 6.298 1.00 0.00 H new ATOM 800 N GLY A 377 -12.291 17.748 9.441 1.00 0.00 N ATOM 801 CA GLY A 377 -12.319 19.001 10.145 1.00 0.00 C ATOM 802 C GLY A 377 -11.022 19.248 10.866 1.00 0.00 C ATOM 803 O GLY A 377 -10.102 18.450 10.764 1.00 0.00 O ATOM 0 H GLY A 377 -12.454 16.927 10.023 1.00 0.00 H new ATOM 0 HA2 GLY A 377 -12.508 19.812 9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 377 -13.142 19.001 10.860 1.00 0.00 H new ATOM 807 N PRO A 378 -10.922 20.336 11.614 1.00 0.00 N ATOM 808 CA PRO A 378 -9.704 20.679 12.347 1.00 0.00 C ATOM 809 C PRO A 378 -9.383 19.654 13.432 1.00 0.00 C ATOM 810 O PRO A 378 -10.269 19.214 14.161 1.00 0.00 O ATOM 811 CB PRO A 378 -10.040 22.034 12.982 1.00 0.00 C ATOM 812 CG PRO A 378 -11.530 22.083 13.016 1.00 0.00 C ATOM 813 CD PRO A 378 -11.993 21.314 11.821 1.00 0.00 C ATOM 0 HA PRO A 378 -8.828 20.702 11.698 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -9.619 22.116 13.984 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -9.631 22.857 12.396 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -11.914 21.643 13.936 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -11.888 23.112 12.981 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -12.952 20.828 12.002 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -12.122 21.960 10.952 1.00 0.00 H new ATOM 821 N TRP A 379 -8.120 19.264 13.524 1.00 0.00 N ATOM 822 CA TRP A 379 -7.687 18.327 14.556 1.00 0.00 C ATOM 823 C TRP A 379 -7.724 18.989 15.932 1.00 0.00 C ATOM 824 O TRP A 379 -7.820 18.317 16.948 1.00 0.00 O ATOM 825 CB TRP A 379 -6.269 17.814 14.260 1.00 0.00 C ATOM 826 CG TRP A 379 -5.684 17.007 15.376 1.00 0.00 C ATOM 827 CD1 TRP A 379 -4.693 17.390 16.231 1.00 0.00 C ATOM 828 CD2 TRP A 379 -6.079 15.693 15.781 1.00 0.00 C ATOM 829 NE1 TRP A 379 -4.436 16.386 17.132 1.00 0.00 N ATOM 830 CE2 TRP A 379 -5.273 15.334 16.877 1.00 0.00 C ATOM 831 CE3 TRP A 379 -7.029 14.781 15.317 1.00 0.00 C ATOM 832 CZ2 TRP A 379 -5.394 14.105 17.519 1.00 0.00 C ATOM 833 CZ3 TRP A 379 -7.146 13.565 15.956 1.00 0.00 C ATOM 834 CH2 TRP A 379 -6.335 13.238 17.046 1.00 0.00 C ATOM 0 H TRP A 379 -7.378 19.579 12.900 1.00 0.00 H new ATOM 0 HA TRP A 379 -8.374 17.481 14.555 1.00 0.00 H new ATOM 0 HB2 TRP A 379 -6.292 17.206 13.355 1.00 0.00 H new ATOM 0 HB3 TRP A 379 -5.618 18.664 14.056 1.00 0.00 H new ATOM 0 HD1 TRP A 379 -4.185 18.343 16.204 1.00 0.00 H new ATOM 0 HE1 TRP A 379 -3.735 16.419 17.872 1.00 0.00 H new ATOM 0 HE3 TRP A 379 -7.660 15.023 14.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 379 -4.767 13.848 18.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 379 -7.878 12.852 15.608 1.00 0.00 H new ATOM 0 HH2 TRP A 379 -6.456 12.277 17.525 1.00 0.00 H new ATOM 845 N GLU A 380 -7.674 20.310 15.936 1.00 0.00 N ATOM 846 CA GLU A 380 -7.648 21.105 17.163 1.00 0.00 C ATOM 847 C GLU A 380 -8.690 20.638 18.224 1.00 0.00 C ATOM 848 O GLU A 380 -8.309 20.317 19.351 1.00 0.00 O ATOM 849 CB GLU A 380 -7.822 22.587 16.829 1.00 0.00 C ATOM 850 CG GLU A 380 -6.788 23.109 15.848 1.00 0.00 C ATOM 851 CD GLU A 380 -5.394 23.115 16.424 1.00 0.00 C ATOM 852 OE1 GLU A 380 -4.770 22.045 16.492 1.00 0.00 O ATOM 853 OE2 GLU A 380 -4.916 24.201 16.806 1.00 0.00 O1- ATOM 0 H GLU A 380 -7.650 20.870 15.084 1.00 0.00 H new ATOM 0 HA GLU A 380 -6.672 20.951 17.623 1.00 0.00 H new ATOM 0 HB2 GLU A 380 -8.818 22.744 16.414 1.00 0.00 H new ATOM 0 HB3 GLU A 380 -7.765 23.168 17.749 1.00 0.00 H new ATOM 0 HG2 GLU A 380 -6.803 22.494 14.948 1.00 0.00 H new ATOM 0 HG3 GLU A 380 -7.057 24.121 15.546 1.00 0.00 H new ATOM 860 N PRO A 381 -10.015 20.593 17.894 1.00 0.00 N ATOM 861 CA PRO A 381 -11.047 20.140 18.848 1.00 0.00 C ATOM 862 C PRO A 381 -11.038 18.615 19.061 1.00 0.00 C ATOM 863 O PRO A 381 -11.730 18.099 19.931 1.00 0.00 O ATOM 864 CB PRO A 381 -12.354 20.568 18.177 1.00 0.00 C ATOM 865 CG PRO A 381 -12.043 20.546 16.726 1.00 0.00 C ATOM 866 CD PRO A 381 -10.618 21.007 16.607 1.00 0.00 C ATOM 0 HA PRO A 381 -10.890 20.563 19.840 1.00 0.00 H new ATOM 0 HB2 PRO A 381 -13.168 19.886 18.420 1.00 0.00 H new ATOM 0 HB3 PRO A 381 -12.662 21.561 18.503 1.00 0.00 H new ATOM 0 HG2 PRO A 381 -12.166 19.544 16.315 1.00 0.00 H new ATOM 0 HG3 PRO A 381 -12.714 21.202 16.172 1.00 0.00 H new ATOM 0 HD2 PRO A 381 -10.115 20.542 15.759 1.00 0.00 H new ATOM 0 HD3 PRO A 381 -10.555 22.086 16.462 1.00 0.00 H new ATOM 874 N HIS A 382 -10.257 17.909 18.266 1.00 0.00 N ATOM 875 CA HIS A 382 -10.187 16.455 18.368 1.00 0.00 C ATOM 876 C HIS A 382 -9.012 16.023 19.229 1.00 0.00 C ATOM 877 O HIS A 382 -9.034 14.946 19.835 1.00 0.00 O ATOM 878 CB HIS A 382 -10.069 15.821 16.983 1.00 0.00 C ATOM 879 CG HIS A 382 -11.286 15.977 16.129 1.00 0.00 C ATOM 880 ND1 HIS A 382 -11.490 17.024 15.259 1.00 0.00 N ATOM 881 CD2 HIS A 382 -12.367 15.176 16.009 1.00 0.00 C ATOM 882 CE1 HIS A 382 -12.660 16.832 14.646 1.00 0.00 C ATOM 883 NE2 HIS A 382 -13.240 15.719 15.064 1.00 0.00 N ATOM 0 H HIS A 382 -9.662 18.313 17.543 1.00 0.00 H new ATOM 0 HA HIS A 382 -11.109 16.114 18.839 1.00 0.00 H new ATOM 0 HB2 HIS A 382 -9.217 16.263 16.466 1.00 0.00 H new ATOM 0 HB3 HIS A 382 -9.855 14.759 17.100 1.00 0.00 H new ATOM 0 HD1 HIS A 382 -10.857 17.810 15.109 1.00 0.00 H new ATOM 0 HD2 HIS A 382 -12.530 14.260 16.557 1.00 0.00 H new ATOM 0 HE1 HIS A 382 -13.078 17.498 13.906 1.00 0.00 H new ATOM 891 N GLY A 383 -7.989 16.858 19.276 1.00 0.00 N ATOM 892 CA GLY A 383 -6.801 16.549 20.038 1.00 0.00 C ATOM 893 C GLY A 383 -7.009 16.675 21.531 1.00 0.00 C ATOM 894 O GLY A 383 -6.808 17.756 22.103 1.00 0.00 O ATOM 0 H GLY A 383 -7.961 17.756 18.793 1.00 0.00 H new ATOM 0 HA2 GLY A 383 -6.480 15.533 19.806 1.00 0.00 H new ATOM 0 HA3 GLY A 383 -5.995 17.216 19.731 1.00 0.00 H new ATOM 898 N SER A 384 -7.420 15.571 22.158 1.00 0.00 N ATOM 899 CA SER A 384 -7.619 15.503 23.606 1.00 0.00 C ATOM 900 C SER A 384 -8.587 16.586 24.089 1.00 0.00 C ATOM 901 O SER A 384 -8.255 17.386 24.969 1.00 0.00 O ATOM 902 CB SER A 384 -6.272 15.638 24.326 1.00 0.00 C ATOM 903 OG SER A 384 -5.325 14.707 23.819 1.00 0.00 O ATOM 0 H SER A 384 -7.625 14.697 21.674 1.00 0.00 H new ATOM 0 HA SER A 384 -8.059 14.534 23.841 1.00 0.00 H new ATOM 0 HB2 SER A 384 -5.891 16.652 24.204 1.00 0.00 H new ATOM 0 HB3 SER A 384 -6.410 15.476 25.395 1.00 0.00 H new ATOM 0 HG SER A 384 -4.474 14.815 24.293 1.00 0.00 H new ATOM 909 N ALA A 385 -9.785 16.602 23.535 1.00 0.00 N ATOM 910 CA ALA A 385 -10.757 17.612 23.900 1.00 0.00 C ATOM 911 C ALA A 385 -12.131 17.010 24.165 1.00 0.00 C ATOM 912 O ALA A 385 -12.301 15.786 24.158 1.00 0.00 O ATOM 913 CB ALA A 385 -10.840 18.682 22.823 1.00 0.00 C ATOM 0 H ALA A 385 -10.106 15.932 22.836 1.00 0.00 H new ATOM 0 HA ALA A 385 -10.420 18.071 24.829 1.00 0.00 H new ATOM 0 HB1 ALA A 385 -11.575 19.433 23.112 1.00 0.00 H new ATOM 0 HB2 ALA A 385 -9.865 19.155 22.704 1.00 0.00 H new ATOM 0 HB3 ALA A 385 -11.140 18.226 21.879 1.00 0.00 H new ATOM 919 N TRP A 386 -13.094 17.883 24.403 1.00 0.00 N ATOM 920 CA TRP A 386 -14.472 17.492 24.692 1.00 0.00 C ATOM 921 C TRP A 386 -15.191 17.071 23.417 1.00 0.00 C ATOM 922 O TRP A 386 -16.172 16.335 23.457 1.00 0.00 O ATOM 923 CB TRP A 386 -15.218 18.690 25.300 1.00 0.00 C ATOM 924 CG TRP A 386 -15.422 19.819 24.310 1.00 0.00 C ATOM 925 CD1 TRP A 386 -14.476 20.695 23.858 1.00 0.00 C ATOM 926 CD2 TRP A 386 -16.643 20.171 23.642 1.00 0.00 C ATOM 927 NE1 TRP A 386 -15.029 21.564 22.958 1.00 0.00 N ATOM 928 CE2 TRP A 386 -16.357 21.270 22.808 1.00 0.00 C ATOM 929 CE3 TRP A 386 -17.946 19.668 23.669 1.00 0.00 C ATOM 930 CZ2 TRP A 386 -17.324 21.870 22.010 1.00 0.00 C ATOM 931 CZ3 TRP A 386 -18.906 20.266 22.875 1.00 0.00 C ATOM 932 CH2 TRP A 386 -18.591 21.357 22.057 1.00 0.00 C ATOM 0 H TRP A 386 -12.946 18.892 24.402 1.00 0.00 H new ATOM 0 HA TRP A 386 -14.456 16.653 25.388 1.00 0.00 H new ATOM 0 HB2 TRP A 386 -16.188 18.358 25.670 1.00 0.00 H new ATOM 0 HB3 TRP A 386 -14.659 19.062 26.159 1.00 0.00 H new ATOM 0 HD1 TRP A 386 -13.441 20.701 24.167 1.00 0.00 H new ATOM 0 HE1 TRP A 386 -14.531 22.312 22.476 1.00 0.00 H new ATOM 0 HE3 TRP A 386 -18.198 18.828 24.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 386 -17.084 22.711 21.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 386 -19.916 19.885 22.886 1.00 0.00 H new ATOM 0 HH2 TRP A 386 -19.365 21.803 21.450 1.00 0.00 H new ATOM 943 N TYR A 387 -14.689 17.549 22.301 1.00 0.00 N ATOM 944 CA TYR A 387 -15.325 17.344 21.023 1.00 0.00 C ATOM 945 C TYR A 387 -15.167 15.910 20.533 1.00 0.00 C ATOM 946 O TYR A 387 -14.048 15.418 20.337 1.00 0.00 O ATOM 947 CB TYR A 387 -14.762 18.333 20.007 1.00 0.00 C ATOM 948 CG TYR A 387 -15.515 18.372 18.695 1.00 0.00 C ATOM 949 CD1 TYR A 387 -16.631 19.179 18.539 1.00 0.00 C ATOM 950 CD2 TYR A 387 -15.109 17.601 17.613 1.00 0.00 C ATOM 951 CE1 TYR A 387 -17.322 19.221 17.346 1.00 0.00 C ATOM 952 CE2 TYR A 387 -15.794 17.636 16.416 1.00 0.00 C ATOM 953 CZ TYR A 387 -16.899 18.445 16.287 1.00 0.00 C ATOM 954 OH TYR A 387 -17.587 18.486 15.096 1.00 0.00 O ATOM 0 H TYR A 387 -13.827 18.092 22.256 1.00 0.00 H new ATOM 0 HA TYR A 387 -16.394 17.520 21.142 1.00 0.00 H new ATOM 0 HB2 TYR A 387 -14.768 19.331 20.446 1.00 0.00 H new ATOM 0 HB3 TYR A 387 -13.721 18.079 19.808 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -16.966 19.786 19.367 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -14.243 16.964 17.711 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -18.188 19.857 17.242 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -15.464 17.031 15.584 1.00 0.00 H new ATOM 0 HH TYR A 387 -17.161 17.883 14.451 1.00 0.00 H new ATOM 964 N ASN A 388 -16.290 15.242 20.347 1.00 0.00 N ATOM 965 CA ASN A 388 -16.293 13.881 19.841 1.00 0.00 C ATOM 966 C ASN A 388 -16.554 13.895 18.348 1.00 0.00 C ATOM 967 O ASN A 388 -17.191 14.818 17.826 1.00 0.00 O ATOM 968 CB ASN A 388 -17.353 13.020 20.557 1.00 0.00 C ATOM 969 CG ASN A 388 -18.785 13.378 20.173 1.00 0.00 C ATOM 970 OD1 ASN A 388 -19.397 14.260 20.770 1.00 0.00 O ATOM 971 ND2 ASN A 388 -19.334 12.683 19.193 1.00 0.00 N ATOM 0 H ASN A 388 -17.217 15.622 20.540 1.00 0.00 H new ATOM 0 HA ASN A 388 -15.316 13.439 20.037 1.00 0.00 H new ATOM 0 HB2 ASN A 388 -17.174 11.970 20.325 1.00 0.00 H new ATOM 0 HB3 ASN A 388 -17.235 13.133 21.635 1.00 0.00 H new ATOM 0 HD21 ASN A 388 -20.296 12.872 18.910 1.00 0.00 H new ATOM 0 HD22 ASN A 388 -18.796 11.957 18.719 1.00 0.00 H new ATOM 978 N CYS A 389 -16.067 12.888 17.664 1.00 0.00 N ATOM 979 CA CYS A 389 -16.247 12.799 16.234 1.00 0.00 C ATOM 980 C CYS A 389 -17.043 11.561 15.883 1.00 0.00 C ATOM 981 O CYS A 389 -17.278 10.705 16.733 1.00 0.00 O ATOM 982 CB CYS A 389 -14.887 12.761 15.538 1.00 0.00 C ATOM 983 SG CYS A 389 -14.956 12.907 13.724 1.00 0.00 S ATOM 0 H CYS A 389 -15.542 12.116 18.075 1.00 0.00 H new ATOM 0 HA CYS A 389 -16.796 13.677 15.894 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -14.270 13.569 15.931 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -14.389 11.826 15.795 1.00 0.00 H new ATOM 988 N ASN A 390 -17.423 11.458 14.637 1.00 0.00 N ATOM 989 CA ASN A 390 -18.168 10.312 14.143 1.00 0.00 C ATOM 990 C ASN A 390 -17.199 9.270 13.610 1.00 0.00 C ATOM 991 O ASN A 390 -17.400 8.690 12.542 1.00 0.00 O ATOM 992 CB ASN A 390 -19.165 10.743 13.055 1.00 0.00 C ATOM 993 CG ASN A 390 -18.524 11.556 11.940 1.00 0.00 C ATOM 994 OD1 ASN A 390 -18.050 11.012 10.946 1.00 0.00 O ATOM 995 ND2 ASN A 390 -18.521 12.868 12.097 1.00 0.00 N ATOM 0 H ASN A 390 -17.228 12.164 13.928 1.00 0.00 H new ATOM 0 HA ASN A 390 -18.740 9.875 14.962 1.00 0.00 H new ATOM 0 HB2 ASN A 390 -19.631 9.856 12.627 1.00 0.00 H new ATOM 0 HB3 ASN A 390 -19.960 11.331 13.513 1.00 0.00 H new ATOM 0 HD21 ASN A 390 -18.115 13.467 11.378 1.00 0.00 H new ATOM 0 HD22 ASN A 390 -18.925 13.282 12.937 1.00 0.00 H new ATOM 1002 N ARG A 391 -16.145 9.032 14.395 1.00 0.00 N ATOM 1003 CA ARG A 391 -15.074 8.098 14.054 1.00 0.00 C ATOM 1004 C ARG A 391 -15.650 6.768 13.585 1.00 0.00 C ATOM 1005 O ARG A 391 -15.270 6.250 12.537 1.00 0.00 O ATOM 1006 CB ARG A 391 -14.172 7.888 15.282 1.00 0.00 C ATOM 1007 CG ARG A 391 -12.720 7.532 14.967 1.00 0.00 C ATOM 1008 CD ARG A 391 -12.581 6.181 14.284 1.00 0.00 C ATOM 1009 NE ARG A 391 -11.179 5.827 14.060 1.00 0.00 N ATOM 1010 CZ ARG A 391 -10.765 4.911 13.187 1.00 0.00 C ATOM 1011 NH1 ARG A 391 -11.647 4.274 12.422 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 391 -9.470 4.638 13.070 1.00 0.00 N ATOM 0 H ARG A 391 -16.012 9.490 15.297 1.00 0.00 H new ATOM 0 HA ARG A 391 -14.483 8.515 13.239 1.00 0.00 H new ATOM 0 HB2 ARG A 391 -14.185 8.798 15.882 1.00 0.00 H new ATOM 0 HB3 ARG A 391 -14.599 7.095 15.896 1.00 0.00 H new ATOM 0 HG2 ARG A 391 -12.292 8.304 14.327 1.00 0.00 H new ATOM 0 HG3 ARG A 391 -12.143 7.528 15.891 1.00 0.00 H new ATOM 0 HD2 ARG A 391 -13.056 5.414 14.895 1.00 0.00 H new ATOM 0 HD3 ARG A 391 -13.108 6.200 13.330 1.00 0.00 H new ATOM 0 HE ARG A 391 -10.471 6.315 14.609 1.00 0.00 H new ATOM 0 HH11 ARG A 391 -12.641 4.487 12.504 1.00 0.00 H new ATOM 0 HH12 ARG A 391 -11.329 3.572 11.753 1.00 0.00 H new ATOM 0 HH21 ARG A 391 -8.791 5.131 13.650 1.00 0.00 H new ATOM 0 HH22 ARG A 391 -9.155 3.936 12.400 1.00 0.00 H new ATOM 1026 N TYR A 392 -16.552 6.219 14.369 1.00 0.00 N ATOM 1027 CA TYR A 392 -17.200 4.968 14.015 1.00 0.00 C ATOM 1028 C TYR A 392 -18.694 5.021 14.293 1.00 0.00 C ATOM 1029 O TYR A 392 -19.460 4.233 13.748 1.00 0.00 O ATOM 1030 CB TYR A 392 -16.559 3.796 14.762 1.00 0.00 C ATOM 1031 CG TYR A 392 -16.520 3.950 16.268 1.00 0.00 C ATOM 1032 CD1 TYR A 392 -17.562 3.491 17.065 1.00 0.00 C ATOM 1033 CD2 TYR A 392 -15.433 4.548 16.894 1.00 0.00 C ATOM 1034 CE1 TYR A 392 -17.520 3.625 18.439 1.00 0.00 C ATOM 1035 CE2 TYR A 392 -15.384 4.687 18.263 1.00 0.00 C ATOM 1036 CZ TYR A 392 -16.429 4.223 19.034 1.00 0.00 C ATOM 1037 OH TYR A 392 -16.378 4.353 20.404 1.00 0.00 O ATOM 0 H TYR A 392 -16.856 6.617 15.258 1.00 0.00 H new ATOM 0 HA TYR A 392 -17.062 4.816 12.945 1.00 0.00 H new ATOM 0 HB2 TYR A 392 -17.105 2.885 14.518 1.00 0.00 H new ATOM 0 HB3 TYR A 392 -15.540 3.664 14.397 1.00 0.00 H new ATOM 0 HD1 TYR A 392 -18.418 3.022 16.603 1.00 0.00 H new ATOM 0 HD2 TYR A 392 -14.611 4.911 16.295 1.00 0.00 H new ATOM 0 HE1 TYR A 392 -18.338 3.263 19.045 1.00 0.00 H new ATOM 0 HE2 TYR A 392 -14.531 5.157 18.731 1.00 0.00 H new ATOM 0 HH TYR A 392 -15.542 4.795 20.660 1.00 0.00 H new ATOM 1047 N ASN A 393 -19.101 5.947 15.138 1.00 0.00 N ATOM 1048 CA ASN A 393 -20.507 6.075 15.500 1.00 0.00 C ATOM 1049 C ASN A 393 -21.031 7.476 15.202 1.00 0.00 C ATOM 1050 O ASN A 393 -20.468 8.473 15.664 1.00 0.00 O ATOM 1051 CB ASN A 393 -20.701 5.754 16.987 1.00 0.00 C ATOM 1052 CG ASN A 393 -22.162 5.808 17.433 1.00 0.00 C ATOM 1053 OD1 ASN A 393 -22.463 6.231 18.549 1.00 0.00 O ATOM 1054 ND2 ASN A 393 -23.068 5.354 16.587 1.00 0.00 N ATOM 0 H ASN A 393 -18.483 6.622 15.588 1.00 0.00 H new ATOM 0 HA ASN A 393 -21.073 5.364 14.898 1.00 0.00 H new ATOM 0 HB2 ASN A 393 -20.303 4.760 17.192 1.00 0.00 H new ATOM 0 HB3 ASN A 393 -20.121 6.459 17.582 1.00 0.00 H new ATOM 0 HD21 ASN A 393 -24.053 5.346 16.851 1.00 0.00 H new ATOM 0 HD22 ASN A 393 -22.783 5.011 15.670 1.00 0.00 H new ATOM 1061 N GLU A 394 -22.088 7.541 14.412 1.00 0.00 N ATOM 1062 CA GLU A 394 -22.747 8.799 14.094 1.00 0.00 C ATOM 1063 C GLU A 394 -23.883 9.076 15.070 1.00 0.00 C ATOM 1064 O GLU A 394 -24.160 8.271 15.964 1.00 0.00 O ATOM 1065 CB GLU A 394 -23.297 8.759 12.675 1.00 0.00 C ATOM 1066 CG GLU A 394 -22.492 9.559 11.676 1.00 0.00 C ATOM 1067 CD GLU A 394 -22.588 11.055 11.915 1.00 0.00 C ATOM 1068 OE1 GLU A 394 -23.471 11.487 12.693 1.00 0.00 O ATOM 1069 OE2 GLU A 394 -21.805 11.803 11.308 1.00 0.00 O1- ATOM 0 H GLU A 394 -22.515 6.725 13.972 1.00 0.00 H new ATOM 0 HA GLU A 394 -22.010 9.598 14.176 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -23.340 7.722 12.343 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -24.321 9.134 12.683 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -21.447 9.253 11.728 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -22.841 9.332 10.669 1.00 0.00 H new ATOM 1076 N ASP A 395 -24.550 10.205 14.886 1.00 0.00 N ATOM 1077 CA ASP A 395 -25.663 10.589 15.745 1.00 0.00 C ATOM 1078 C ASP A 395 -26.910 9.821 15.349 1.00 0.00 C ATOM 1079 O ASP A 395 -27.722 9.437 16.194 1.00 0.00 O ATOM 1080 CB ASP A 395 -25.915 12.094 15.654 1.00 0.00 C ATOM 1081 CG ASP A 395 -27.071 12.550 16.524 1.00 0.00 C ATOM 1082 OD1 ASP A 395 -26.917 12.576 17.762 1.00 0.00 O1- ATOM 1083 OD2 ASP A 395 -28.136 12.895 15.973 1.00 0.00 O ATOM 0 H ASP A 395 -24.340 10.875 14.146 1.00 0.00 H new ATOM 0 HA ASP A 395 -25.410 10.345 16.777 1.00 0.00 H new ATOM 0 HB2 ASP A 395 -25.012 12.628 15.949 1.00 0.00 H new ATOM 0 HB3 ASP A 395 -26.119 12.362 14.617 1.00 0.00 H new ATOM 1088 N ASP A 396 -27.054 9.596 14.063 1.00 0.00 N ATOM 1089 CA ASP A 396 -28.167 8.837 13.538 1.00 0.00 C ATOM 1090 C ASP A 396 -27.729 7.404 13.307 1.00 0.00 C ATOM 1091 O ASP A 396 -27.112 7.132 12.259 1.00 0.00 O ATOM 1092 CB ASP A 396 -28.675 9.454 12.231 1.00 0.00 C ATOM 1093 CG ASP A 396 -29.909 8.751 11.681 1.00 0.00 C ATOM 1094 OD1 ASP A 396 -31.034 9.097 12.100 1.00 0.00 O ATOM 1095 OD2 ASP A 396 -29.762 7.857 10.817 1.00 0.00 O1- ATOM 1096 OXT ASP A 396 -27.967 6.561 14.189 1.00 0.00 O ATOM 0 H ASP A 396 -26.405 9.933 13.352 1.00 0.00 H new ATOM 0 HA ASP A 396 -28.984 8.857 14.260 1.00 0.00 H new ATOM 0 HB2 ASP A 396 -28.907 10.506 12.398 1.00 0.00 H new ATOM 0 HB3 ASP A 396 -27.881 9.418 11.486 1.00 0.00 H new TER 1101 ASP A 396 HETATM 1102 ZN ZN A 401 -3.196 20.303 2.842 1.00 0.00 ZN HETATM 1103 ZN ZN A 402 -13.500 14.488 13.287 1.00 0.00 ZN