USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 732 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 367 THR OG1 : rot -87:sc= 1.07 USER MOD Set 1.2: A 379 SER OG : rot 180:sc= 0.719 USER MOD Set 2.1: A 333 THR OG1 : rot -145:sc= 1.46 USER MOD Set 2.2: A 336 CYS SG : rot 157:sc= 2.05 USER MOD Set 2.3: A 338 MET CE :methyl 137:sc= -0.211 (180deg=-0.938) USER MOD Single : A 311 SER OG : rot 37:sc= 0.0904 USER MOD Single : A 316 LYS NZ :NH3+ 128:sc= -0.0134 (180deg=-0.355) USER MOD Single : A 334 LYS NZ :NH3+ -139:sc= 1.26 (180deg=0.826) USER MOD Single : A 343 LYS NZ :NH3+ -164:sc= -0.0378 (180deg=-0.375) USER MOD Single : A 344 THR OG1 : rot 90:sc= 1.28 USER MOD Single : A 345 LYS NZ :NH3+ 168:sc= -0.006 (180deg=-0.13) USER MOD Single : A 349 GLN : amide:sc= 0.071 K(o=0.071,f=-5!) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD Single : A 354 THR OG1 : rot 180:sc= 0 USER MOD Single : A 355 ASN : amide:sc= -0.0622 K(o=-0.062,f=-0.64) USER MOD Single : A 357 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 362 SER OG : rot 180:sc= 0 USER MOD Single : A 364 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 365 SER OG : rot 180:sc= 0 USER MOD Single : A 373 TYR OH : rot 180:sc= 0 USER MOD Single : A 374 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 377 TYR OH : rot 180:sc= 0 USER MOD Single : A 378 TYR OH : rot 30:sc= 0 USER MOD Single : A 381 GLN : amide:sc= -2.66! C(o=-2.7!,f=-6!) USER MOD Single : A 382 THR OG1 : rot -126:sc= 0.674 USER MOD Single : A 383 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 387 GLN : amide:sc= -1.1 K(o=-1.1,f=-12!) USER MOD Single : A 390 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 395 TYR OH : rot 180:sc= 0 USER MOD Single : B 377 ASN : amide:sc= 1.49 K(o=1.5,f=-5.9!) USER MOD Single : B 380 TYR OH : rot -167:sc= 2.13 USER MOD Single : B 381 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N SER A 311 2.357 6.557 9.352 1.00 0.71 N ATOM 27 CA SER A 311 3.041 5.400 9.909 1.00 0.41 C ATOM 28 C SER A 311 3.950 4.745 8.871 1.00 0.34 C ATOM 29 O SER A 311 3.664 4.785 7.671 1.00 0.47 O ATOM 30 CB SER A 311 2.019 4.393 10.429 1.00 0.59 C ATOM 31 OG SER A 311 1.165 4.990 11.394 1.00 1.06 O ATOM 0 HA SER A 311 3.666 5.737 10.737 1.00 0.41 H new ATOM 0 HB2 SER A 311 1.425 4.010 9.599 1.00 0.59 H new ATOM 0 HB3 SER A 311 2.535 3.541 10.872 1.00 0.59 H new ATOM 0 HG SER A 311 0.976 5.916 11.136 1.00 1.06 H new ATOM 37 N PHE A 312 5.043 4.154 9.337 1.00 0.29 N ATOM 38 CA PHE A 312 5.978 3.459 8.462 1.00 0.27 C ATOM 39 C PHE A 312 6.041 1.976 8.804 1.00 0.26 C ATOM 40 O PHE A 312 6.098 1.598 9.975 1.00 0.34 O ATOM 41 CB PHE A 312 7.377 4.075 8.556 1.00 0.31 C ATOM 42 CG PHE A 312 7.516 5.374 7.815 1.00 0.34 C ATOM 43 CD1 PHE A 312 7.206 6.576 8.428 1.00 0.45 C ATOM 44 CD2 PHE A 312 7.959 5.388 6.503 1.00 0.33 C ATOM 45 CE1 PHE A 312 7.334 7.771 7.743 1.00 0.52 C ATOM 46 CE2 PHE A 312 8.089 6.578 5.815 1.00 0.38 C ATOM 47 CZ PHE A 312 7.777 7.771 6.434 1.00 0.47 C ATOM 0 H PHE A 312 5.305 4.143 10.323 1.00 0.29 H new ATOM 0 HA PHE A 312 5.617 3.568 7.439 1.00 0.27 H new ATOM 0 HB2 PHE A 312 7.623 4.237 9.605 1.00 0.31 H new ATOM 0 HB3 PHE A 312 8.104 3.364 8.164 1.00 0.31 H new ATOM 0 HD1 PHE A 312 6.861 6.581 9.451 1.00 0.45 H new ATOM 0 HD2 PHE A 312 8.206 4.458 6.013 1.00 0.33 H new ATOM 0 HE1 PHE A 312 7.088 8.703 8.231 1.00 0.52 H new ATOM 0 HE2 PHE A 312 8.435 6.575 4.792 1.00 0.38 H new ATOM 0 HZ PHE A 312 7.879 8.702 5.897 1.00 0.47 H new ATOM 57 N PHE A 313 6.018 1.144 7.775 1.00 0.24 N ATOM 58 CA PHE A 313 6.099 -0.301 7.948 1.00 0.26 C ATOM 59 C PHE A 313 7.282 -0.854 7.168 1.00 0.26 C ATOM 60 O PHE A 313 7.569 -0.395 6.062 1.00 0.26 O ATOM 61 CB PHE A 313 4.815 -0.982 7.463 1.00 0.28 C ATOM 62 CG PHE A 313 3.569 -0.523 8.164 1.00 0.30 C ATOM 63 CD1 PHE A 313 3.133 -1.153 9.317 1.00 0.34 C ATOM 64 CD2 PHE A 313 2.831 0.535 7.663 1.00 0.32 C ATOM 65 CE1 PHE A 313 1.983 -0.734 9.959 1.00 0.40 C ATOM 66 CE2 PHE A 313 1.680 0.958 8.298 1.00 0.37 C ATOM 67 CZ PHE A 313 1.255 0.323 9.448 1.00 0.41 C ATOM 0 H PHE A 313 5.943 1.446 6.804 1.00 0.24 H new ATOM 0 HA PHE A 313 6.229 -0.507 9.011 1.00 0.26 H new ATOM 0 HB2 PHE A 313 4.704 -0.802 6.394 1.00 0.28 H new ATOM 0 HB3 PHE A 313 4.917 -2.059 7.596 1.00 0.28 H new ATOM 0 HD1 PHE A 313 3.698 -1.981 9.719 1.00 0.34 H new ATOM 0 HD2 PHE A 313 3.159 1.036 6.764 1.00 0.32 H new ATOM 0 HE1 PHE A 313 1.654 -1.232 10.859 1.00 0.40 H new ATOM 0 HE2 PHE A 313 1.113 1.784 7.896 1.00 0.37 H new ATOM 0 HZ PHE A 313 0.355 0.652 9.947 1.00 0.41 H new ATOM 77 N LEU A 314 7.966 -1.833 7.739 1.00 0.36 N ATOM 78 CA LEU A 314 9.071 -2.484 7.051 1.00 0.38 C ATOM 79 C LEU A 314 8.560 -3.693 6.281 1.00 0.37 C ATOM 80 O LEU A 314 8.282 -4.744 6.864 1.00 0.50 O ATOM 81 CB LEU A 314 10.157 -2.911 8.043 1.00 0.51 C ATOM 82 CG LEU A 314 11.361 -3.622 7.415 1.00 0.57 C ATOM 83 CD1 LEU A 314 12.098 -2.695 6.459 1.00 0.54 C ATOM 84 CD2 LEU A 314 12.300 -4.132 8.497 1.00 0.72 C ATOM 0 H LEU A 314 7.777 -2.194 8.674 1.00 0.36 H new ATOM 0 HA LEU A 314 9.510 -1.772 6.352 1.00 0.38 H new ATOM 0 HB2 LEU A 314 10.512 -2.027 8.574 1.00 0.51 H new ATOM 0 HB3 LEU A 314 9.710 -3.572 8.786 1.00 0.51 H new ATOM 0 HG LEU A 314 10.995 -4.476 6.844 1.00 0.57 H new ATOM 0 HD11 LEU A 314 12.949 -3.221 6.025 1.00 0.54 H new ATOM 0 HD12 LEU A 314 11.422 -2.380 5.664 1.00 0.54 H new ATOM 0 HD13 LEU A 314 12.452 -1.819 7.002 1.00 0.54 H new ATOM 0 HD21 LEU A 314 13.150 -4.634 8.034 1.00 0.72 H new ATOM 0 HD22 LEU A 314 12.656 -3.293 9.095 1.00 0.72 H new ATOM 0 HD23 LEU A 314 11.768 -4.835 9.138 1.00 0.72 H new ATOM 96 N VAL A 315 8.420 -3.532 4.976 1.00 0.26 N ATOM 97 CA VAL A 315 7.888 -4.588 4.130 1.00 0.26 C ATOM 98 C VAL A 315 8.950 -5.095 3.164 1.00 0.24 C ATOM 99 O VAL A 315 10.058 -4.555 3.106 1.00 0.27 O ATOM 100 CB VAL A 315 6.670 -4.102 3.319 1.00 0.26 C ATOM 101 CG1 VAL A 315 5.559 -3.628 4.245 1.00 0.30 C ATOM 102 CG2 VAL A 315 7.077 -2.998 2.354 1.00 0.23 C ATOM 0 H VAL A 315 8.668 -2.677 4.478 1.00 0.26 H new ATOM 0 HA VAL A 315 7.576 -5.397 4.791 1.00 0.26 H new ATOM 0 HB VAL A 315 6.289 -4.941 2.737 1.00 0.26 H new ATOM 0 HG11 VAL A 315 4.710 -3.290 3.651 1.00 0.30 H new ATOM 0 HG12 VAL A 315 5.247 -4.450 4.889 1.00 0.30 H new ATOM 0 HG13 VAL A 315 5.924 -2.804 4.859 1.00 0.30 H new ATOM 0 HG21 VAL A 315 6.205 -2.668 1.790 1.00 0.23 H new ATOM 0 HG22 VAL A 315 7.487 -2.158 2.914 1.00 0.23 H new ATOM 0 HG23 VAL A 315 7.832 -3.377 1.665 1.00 0.23 H new ATOM 112 N LYS A 316 8.613 -6.131 2.412 1.00 0.25 N ATOM 113 CA LYS A 316 9.521 -6.678 1.415 1.00 0.28 C ATOM 114 C LYS A 316 8.838 -6.744 0.052 1.00 0.28 C ATOM 115 O LYS A 316 7.898 -7.515 -0.141 1.00 0.28 O ATOM 116 CB LYS A 316 9.994 -8.074 1.829 1.00 0.34 C ATOM 117 CG LYS A 316 10.551 -8.141 3.242 1.00 0.44 C ATOM 118 CD LYS A 316 11.142 -9.507 3.547 1.00 0.55 C ATOM 119 CE LYS A 316 12.417 -9.752 2.756 1.00 0.67 C ATOM 120 NZ LYS A 316 13.494 -8.801 3.143 1.00 1.44 N ATOM 0 H LYS A 316 7.715 -6.611 2.473 1.00 0.25 H new ATOM 0 HA LYS A 316 10.387 -6.020 1.344 1.00 0.28 H new ATOM 0 HB2 LYS A 316 9.159 -8.770 1.745 1.00 0.34 H new ATOM 0 HB3 LYS A 316 10.760 -8.409 1.130 1.00 0.34 H new ATOM 0 HG2 LYS A 316 11.317 -7.376 3.368 1.00 0.44 H new ATOM 0 HG3 LYS A 316 9.759 -7.919 3.957 1.00 0.44 H new ATOM 0 HD2 LYS A 316 11.354 -9.583 4.613 1.00 0.55 H new ATOM 0 HD3 LYS A 316 10.412 -10.281 3.311 1.00 0.55 H new ATOM 0 HE2 LYS A 316 12.757 -10.774 2.921 1.00 0.67 H new ATOM 0 HE3 LYS A 316 12.209 -9.653 1.691 1.00 0.67 H new ATOM 0 HZ1 LYS A 316 14.358 -9.331 3.376 1.00 1.44 H new ATOM 0 HZ2 LYS A 316 13.687 -8.154 2.352 1.00 1.44 H new ATOM 0 HZ3 LYS A 316 13.191 -8.252 3.973 1.00 1.44 H new ATOM 134 N GLU A 317 9.301 -5.928 -0.883 1.00 0.32 N ATOM 135 CA GLU A 317 8.746 -5.911 -2.230 1.00 0.37 C ATOM 136 C GLU A 317 9.219 -7.115 -3.025 1.00 0.45 C ATOM 137 O GLU A 317 10.419 -7.289 -3.252 1.00 0.48 O ATOM 138 CB GLU A 317 9.156 -4.642 -2.977 1.00 0.39 C ATOM 139 CG GLU A 317 8.493 -3.372 -2.475 1.00 0.41 C ATOM 140 CD GLU A 317 8.863 -2.170 -3.319 1.00 0.49 C ATOM 141 OE1 GLU A 317 9.423 -2.351 -4.418 1.00 0.70 O ATOM 142 OE2 GLU A 317 8.573 -1.032 -2.898 1.00 0.61 O ATOM 0 H GLU A 317 10.063 -5.266 -0.734 1.00 0.32 H new ATOM 0 HA GLU A 317 7.661 -5.940 -2.131 1.00 0.37 H new ATOM 0 HB2 GLU A 317 10.237 -4.526 -2.903 1.00 0.39 H new ATOM 0 HB3 GLU A 317 8.920 -4.766 -4.034 1.00 0.39 H new ATOM 0 HG2 GLU A 317 7.411 -3.501 -2.481 1.00 0.41 H new ATOM 0 HG3 GLU A 317 8.787 -3.194 -1.441 1.00 0.41 H new ATOM 275 N LEU A 325 13.393 -10.363 -1.912 1.00 0.61 N ATOM 276 CA LEU A 325 12.351 -9.379 -1.675 1.00 0.49 C ATOM 277 C LEU A 325 12.961 -8.128 -1.060 1.00 0.45 C ATOM 278 O LEU A 325 13.554 -8.178 0.018 1.00 0.55 O ATOM 279 CB LEU A 325 11.248 -9.940 -0.770 1.00 0.47 C ATOM 280 CG LEU A 325 10.402 -11.071 -1.372 1.00 0.53 C ATOM 281 CD1 LEU A 325 11.144 -12.399 -1.333 1.00 0.69 C ATOM 282 CD2 LEU A 325 9.072 -11.180 -0.645 1.00 0.56 C ATOM 0 HA LEU A 325 11.893 -9.125 -2.631 1.00 0.49 H new ATOM 0 HB2 LEU A 325 11.708 -10.305 0.148 1.00 0.47 H new ATOM 0 HB3 LEU A 325 10.583 -9.123 -0.491 1.00 0.47 H new ATOM 0 HG LEU A 325 10.211 -10.829 -2.417 1.00 0.53 H new ATOM 0 HD11 LEU A 325 10.518 -13.179 -1.767 1.00 0.69 H new ATOM 0 HD12 LEU A 325 12.068 -12.316 -1.905 1.00 0.69 H new ATOM 0 HD13 LEU A 325 11.378 -12.655 -0.300 1.00 0.69 H new ATOM 0 HD21 LEU A 325 8.483 -11.986 -1.083 1.00 0.56 H new ATOM 0 HD22 LEU A 325 9.250 -11.392 0.409 1.00 0.56 H new ATOM 0 HD23 LEU A 325 8.528 -10.240 -0.739 1.00 0.56 H new ATOM 294 N VAL A 326 12.805 -7.010 -1.753 1.00 0.40 N ATOM 295 CA VAL A 326 13.472 -5.770 -1.378 1.00 0.38 C ATOM 296 C VAL A 326 12.815 -5.129 -0.159 1.00 0.32 C ATOM 297 O VAL A 326 11.631 -4.795 -0.189 1.00 0.29 O ATOM 298 CB VAL A 326 13.455 -4.756 -2.542 1.00 0.42 C ATOM 299 CG1 VAL A 326 14.328 -3.553 -2.220 1.00 0.45 C ATOM 300 CG2 VAL A 326 13.900 -5.415 -3.839 1.00 0.51 C ATOM 0 H VAL A 326 12.218 -6.935 -2.584 1.00 0.40 H new ATOM 0 HA VAL A 326 14.502 -6.029 -1.135 1.00 0.38 H new ATOM 0 HB VAL A 326 12.431 -4.407 -2.674 1.00 0.42 H new ATOM 0 HG11 VAL A 326 14.302 -2.851 -3.053 1.00 0.45 H new ATOM 0 HG12 VAL A 326 13.955 -3.063 -1.321 1.00 0.45 H new ATOM 0 HG13 VAL A 326 15.354 -3.882 -2.055 1.00 0.45 H new ATOM 0 HG21 VAL A 326 13.880 -4.682 -4.645 1.00 0.51 H new ATOM 0 HG22 VAL A 326 14.913 -5.799 -3.723 1.00 0.51 H new ATOM 0 HG23 VAL A 326 13.226 -6.237 -4.080 1.00 0.51 H new ATOM 310 N PRO A 327 13.577 -4.956 0.932 1.00 0.33 N ATOM 311 CA PRO A 327 13.093 -4.269 2.130 1.00 0.30 C ATOM 312 C PRO A 327 12.769 -2.811 1.836 1.00 0.25 C ATOM 313 O PRO A 327 13.632 -2.048 1.394 1.00 0.32 O ATOM 314 CB PRO A 327 14.264 -4.370 3.117 1.00 0.39 C ATOM 315 CG PRO A 327 15.140 -5.448 2.578 1.00 0.46 C ATOM 316 CD PRO A 327 14.965 -5.413 1.087 1.00 0.42 C ATOM 0 HA PRO A 327 12.174 -4.710 2.515 1.00 0.30 H new ATOM 0 HB2 PRO A 327 14.802 -3.425 3.187 1.00 0.39 H new ATOM 0 HB3 PRO A 327 13.913 -4.613 4.120 1.00 0.39 H new ATOM 0 HG2 PRO A 327 16.181 -5.279 2.853 1.00 0.46 H new ATOM 0 HG3 PRO A 327 14.857 -6.420 2.982 1.00 0.46 H new ATOM 0 HD2 PRO A 327 15.671 -4.731 0.613 1.00 0.42 H new ATOM 0 HD3 PRO A 327 15.120 -6.394 0.639 1.00 0.42 H new ATOM 324 N ARG A 328 11.525 -2.430 2.070 1.00 0.21 N ATOM 325 CA ARG A 328 11.079 -1.080 1.784 1.00 0.23 C ATOM 326 C ARG A 328 10.346 -0.501 2.987 1.00 0.20 C ATOM 327 O ARG A 328 9.702 -1.233 3.742 1.00 0.23 O ATOM 328 CB ARG A 328 10.148 -1.073 0.568 1.00 0.32 C ATOM 329 CG ARG A 328 10.036 0.286 -0.103 1.00 0.50 C ATOM 330 CD ARG A 328 11.203 0.529 -1.047 1.00 0.56 C ATOM 331 NE ARG A 328 11.098 -0.294 -2.250 1.00 0.47 N ATOM 332 CZ ARG A 328 12.123 -0.633 -3.034 1.00 0.58 C ATOM 333 NH1 ARG A 328 13.362 -0.265 -2.737 1.00 0.78 N ATOM 334 NH2 ARG A 328 11.909 -1.372 -4.115 1.00 0.65 N ATOM 0 H ARG A 328 10.805 -3.039 2.458 1.00 0.21 H new ATOM 0 HA ARG A 328 11.955 -0.468 1.568 1.00 0.23 H new ATOM 0 HB2 ARG A 328 10.509 -1.800 -0.160 1.00 0.32 H new ATOM 0 HB3 ARG A 328 9.155 -1.399 0.879 1.00 0.32 H new ATOM 0 HG2 ARG A 328 9.099 0.346 -0.656 1.00 0.50 H new ATOM 0 HG3 ARG A 328 10.009 1.068 0.656 1.00 0.50 H new ATOM 0 HD2 ARG A 328 11.233 1.582 -1.327 1.00 0.56 H new ATOM 0 HD3 ARG A 328 12.139 0.308 -0.534 1.00 0.56 H new ATOM 0 HE ARG A 328 10.172 -0.635 -2.510 1.00 0.47 H new ATOM 0 HH11 ARG A 328 13.543 0.286 -1.898 1.00 0.78 H new ATOM 0 HH12 ARG A 328 14.134 -0.533 -3.348 1.00 0.78 H new ATOM 0 HH21 ARG A 328 10.964 -1.679 -4.344 1.00 0.65 H new ATOM 0 HH22 ARG A 328 12.690 -1.633 -4.717 1.00 0.65 H new ATOM 348 N LEU A 329 10.452 0.805 3.163 1.00 0.18 N ATOM 349 CA LEU A 329 9.730 1.497 4.213 1.00 0.20 C ATOM 350 C LEU A 329 8.439 2.072 3.656 1.00 0.19 C ATOM 351 O LEU A 329 8.454 3.021 2.870 1.00 0.24 O ATOM 352 CB LEU A 329 10.593 2.608 4.812 1.00 0.25 C ATOM 353 CG LEU A 329 11.813 2.124 5.594 1.00 0.31 C ATOM 354 CD1 LEU A 329 12.706 3.296 5.966 1.00 0.37 C ATOM 355 CD2 LEU A 329 11.373 1.374 6.842 1.00 0.36 C ATOM 0 H LEU A 329 11.036 1.410 2.586 1.00 0.18 H new ATOM 0 HA LEU A 329 9.490 0.787 5.004 1.00 0.20 H new ATOM 0 HB2 LEU A 329 10.931 3.260 4.006 1.00 0.25 H new ATOM 0 HB3 LEU A 329 9.973 3.214 5.473 1.00 0.25 H new ATOM 0 HG LEU A 329 12.384 1.444 4.962 1.00 0.31 H new ATOM 0 HD11 LEU A 329 13.570 2.933 6.523 1.00 0.37 H new ATOM 0 HD12 LEU A 329 13.043 3.798 5.059 1.00 0.37 H new ATOM 0 HD13 LEU A 329 12.146 3.999 6.583 1.00 0.37 H new ATOM 0 HD21 LEU A 329 12.251 1.034 7.391 1.00 0.36 H new ATOM 0 HD22 LEU A 329 10.783 2.036 7.476 1.00 0.36 H new ATOM 0 HD23 LEU A 329 10.769 0.513 6.555 1.00 0.36 H new ATOM 367 N LEU A 330 7.328 1.474 4.041 1.00 0.17 N ATOM 368 CA LEU A 330 6.033 1.907 3.557 1.00 0.17 C ATOM 369 C LEU A 330 5.562 3.114 4.343 1.00 0.18 C ATOM 370 O LEU A 330 5.399 3.043 5.559 1.00 0.24 O ATOM 371 CB LEU A 330 5.007 0.782 3.685 1.00 0.22 C ATOM 372 CG LEU A 330 4.029 0.666 2.521 1.00 0.26 C ATOM 373 CD1 LEU A 330 3.043 -0.465 2.750 1.00 0.57 C ATOM 374 CD2 LEU A 330 3.300 1.968 2.266 1.00 0.49 C ATOM 0 H LEU A 330 7.297 0.686 4.688 1.00 0.17 H new ATOM 0 HA LEU A 330 6.132 2.175 2.505 1.00 0.17 H new ATOM 0 HB2 LEU A 330 5.538 -0.164 3.789 1.00 0.22 H new ATOM 0 HB3 LEU A 330 4.439 0.931 4.603 1.00 0.22 H new ATOM 0 HG LEU A 330 4.614 0.438 1.630 1.00 0.26 H new ATOM 0 HD11 LEU A 330 2.357 -0.526 1.905 1.00 0.57 H new ATOM 0 HD12 LEU A 330 3.585 -1.406 2.846 1.00 0.57 H new ATOM 0 HD13 LEU A 330 2.478 -0.276 3.663 1.00 0.57 H new ATOM 0 HD21 LEU A 330 2.613 1.843 1.429 1.00 0.49 H new ATOM 0 HD22 LEU A 330 2.739 2.251 3.157 1.00 0.49 H new ATOM 0 HD23 LEU A 330 4.022 2.749 2.029 1.00 0.49 H new ATOM 386 N GLY A 331 5.348 4.217 3.650 1.00 0.18 N ATOM 387 CA GLY A 331 4.858 5.399 4.305 1.00 0.22 C ATOM 388 C GLY A 331 3.408 5.671 3.982 1.00 0.22 C ATOM 389 O GLY A 331 3.080 6.089 2.870 1.00 0.29 O ATOM 0 H GLY A 331 5.506 4.312 2.647 1.00 0.18 H new ATOM 0 HA2 GLY A 331 4.974 5.289 5.383 1.00 0.22 H new ATOM 0 HA3 GLY A 331 5.462 6.255 4.005 1.00 0.22 H new ATOM 393 N ILE A 332 2.538 5.429 4.950 1.00 0.22 N ATOM 394 CA ILE A 332 1.117 5.691 4.783 1.00 0.22 C ATOM 395 C ILE A 332 0.756 7.004 5.459 1.00 0.24 C ATOM 396 O ILE A 332 0.792 7.110 6.686 1.00 0.36 O ATOM 397 CB ILE A 332 0.244 4.564 5.382 1.00 0.26 C ATOM 398 CG1 ILE A 332 0.598 3.205 4.767 1.00 0.27 C ATOM 399 CG2 ILE A 332 -1.234 4.870 5.169 1.00 0.28 C ATOM 400 CD1 ILE A 332 0.224 3.075 3.306 1.00 0.27 C ATOM 0 H ILE A 332 2.792 5.050 5.862 1.00 0.22 H new ATOM 0 HA ILE A 332 0.919 5.742 3.712 1.00 0.22 H new ATOM 0 HB ILE A 332 0.445 4.514 6.452 1.00 0.26 H new ATOM 0 HG12 ILE A 332 1.670 3.037 4.874 1.00 0.27 H new ATOM 0 HG13 ILE A 332 0.095 2.420 5.332 1.00 0.27 H new ATOM 0 HG21 ILE A 332 -1.837 4.068 5.596 1.00 0.28 H new ATOM 0 HG22 ILE A 332 -1.485 5.812 5.657 1.00 0.28 H new ATOM 0 HG23 ILE A 332 -1.439 4.949 4.101 1.00 0.28 H new ATOM 0 HD11 ILE A 332 0.507 2.086 2.945 1.00 0.27 H new ATOM 0 HD12 ILE A 332 -0.852 3.209 3.192 1.00 0.27 H new ATOM 0 HD13 ILE A 332 0.747 3.836 2.727 1.00 0.27 H new ATOM 412 N THR A 333 0.438 8.006 4.659 1.00 0.22 N ATOM 413 CA THR A 333 0.046 9.296 5.188 1.00 0.23 C ATOM 414 C THR A 333 -1.453 9.491 5.010 1.00 0.23 C ATOM 415 O THR A 333 -2.135 8.607 4.492 1.00 0.28 O ATOM 416 CB THR A 333 0.803 10.444 4.495 1.00 0.26 C ATOM 417 OG1 THR A 333 0.421 10.522 3.119 1.00 0.34 O ATOM 418 CG2 THR A 333 2.308 10.240 4.592 1.00 0.38 C ATOM 0 H THR A 333 0.444 7.949 3.641 1.00 0.22 H new ATOM 0 HA THR A 333 0.299 9.315 6.248 1.00 0.23 H new ATOM 0 HB THR A 333 0.543 11.374 5.000 1.00 0.26 H new ATOM 0 HG1 THR A 333 1.194 10.791 2.580 1.00 0.34 H new ATOM 0 HG21 THR A 333 2.820 11.064 4.095 1.00 0.38 H new ATOM 0 HG22 THR A 333 2.604 10.209 5.641 1.00 0.38 H new ATOM 0 HG23 THR A 333 2.580 9.301 4.110 1.00 0.38 H new ATOM 426 N LYS A 334 -1.959 10.650 5.406 1.00 0.26 N ATOM 427 CA LYS A 334 -3.393 10.913 5.351 1.00 0.28 C ATOM 428 C LYS A 334 -3.833 11.256 3.930 1.00 0.26 C ATOM 429 O LYS A 334 -5.010 11.507 3.676 1.00 0.43 O ATOM 430 CB LYS A 334 -3.757 12.063 6.300 1.00 0.38 C ATOM 431 CG LYS A 334 -3.298 13.431 5.813 1.00 0.47 C ATOM 432 CD LYS A 334 -3.582 14.514 6.839 1.00 0.63 C ATOM 433 CE LYS A 334 -3.339 15.907 6.275 1.00 0.89 C ATOM 434 NZ LYS A 334 -1.956 16.083 5.758 1.00 1.61 N ATOM 0 H LYS A 334 -1.401 11.423 5.768 1.00 0.26 H new ATOM 0 HA LYS A 334 -3.914 10.008 5.664 1.00 0.28 H new ATOM 0 HB2 LYS A 334 -4.838 12.080 6.437 1.00 0.38 H new ATOM 0 HB3 LYS A 334 -3.315 11.869 7.277 1.00 0.38 H new ATOM 0 HG2 LYS A 334 -2.229 13.402 5.600 1.00 0.47 H new ATOM 0 HG3 LYS A 334 -3.803 13.673 4.878 1.00 0.47 H new ATOM 0 HD2 LYS A 334 -4.616 14.434 7.175 1.00 0.63 H new ATOM 0 HD3 LYS A 334 -2.950 14.361 7.713 1.00 0.63 H new ATOM 0 HE2 LYS A 334 -4.050 16.098 5.471 1.00 0.89 H new ATOM 0 HE3 LYS A 334 -3.529 16.647 7.052 1.00 0.89 H new ATOM 0 HZ1 LYS A 334 -1.601 17.023 6.028 1.00 1.61 H new ATOM 0 HZ2 LYS A 334 -1.338 15.351 6.163 1.00 1.61 H new ATOM 0 HZ3 LYS A 334 -1.960 15.999 4.721 1.00 1.61 H new ATOM 448 N GLU A 335 -2.882 11.256 3.005 1.00 0.27 N ATOM 449 CA GLU A 335 -3.148 11.719 1.655 1.00 0.33 C ATOM 450 C GLU A 335 -2.458 10.863 0.592 1.00 0.27 C ATOM 451 O GLU A 335 -2.980 10.712 -0.516 1.00 0.34 O ATOM 452 CB GLU A 335 -2.708 13.177 1.536 1.00 0.46 C ATOM 453 CG GLU A 335 -1.330 13.432 2.126 1.00 0.56 C ATOM 454 CD GLU A 335 -1.021 14.902 2.277 1.00 0.85 C ATOM 455 OE1 GLU A 335 -1.572 15.536 3.201 1.00 1.04 O ATOM 456 OE2 GLU A 335 -0.211 15.428 1.489 1.00 1.79 O ATOM 0 H GLU A 335 -1.925 10.942 3.166 1.00 0.27 H new ATOM 0 HA GLU A 335 -4.219 11.631 1.473 1.00 0.33 H new ATOM 0 HB2 GLU A 335 -2.706 13.465 0.485 1.00 0.46 H new ATOM 0 HB3 GLU A 335 -3.436 13.813 2.040 1.00 0.46 H new ATOM 0 HG2 GLU A 335 -1.262 12.949 3.101 1.00 0.56 H new ATOM 0 HG3 GLU A 335 -0.576 12.970 1.489 1.00 0.56 H new ATOM 463 N CYS A 336 -1.303 10.290 0.914 1.00 0.23 N ATOM 464 CA CYS A 336 -0.551 9.539 -0.081 1.00 0.24 C ATOM 465 C CYS A 336 0.180 8.335 0.516 1.00 0.21 C ATOM 466 O CYS A 336 0.498 8.297 1.708 1.00 0.28 O ATOM 467 CB CYS A 336 0.456 10.461 -0.777 1.00 0.32 C ATOM 468 SG CYS A 336 1.650 11.230 0.342 1.00 1.10 S ATOM 0 H CYS A 336 -0.874 10.330 1.839 1.00 0.23 H new ATOM 0 HA CYS A 336 -1.271 9.154 -0.803 1.00 0.24 H new ATOM 0 HB2 CYS A 336 0.997 9.888 -1.530 1.00 0.32 H new ATOM 0 HB3 CYS A 336 -0.089 11.244 -1.304 1.00 0.32 H new ATOM 0 HG CYS A 336 2.716 11.563 -0.323 1.00 1.10 H new ATOM 474 N VAL A 337 0.421 7.352 -0.337 1.00 0.22 N ATOM 475 CA VAL A 337 1.234 6.195 -0.008 1.00 0.21 C ATOM 476 C VAL A 337 2.582 6.325 -0.708 1.00 0.19 C ATOM 477 O VAL A 337 2.650 6.323 -1.938 1.00 0.22 O ATOM 478 CB VAL A 337 0.547 4.885 -0.459 1.00 0.26 C ATOM 479 CG1 VAL A 337 1.426 3.680 -0.164 1.00 0.27 C ATOM 480 CG2 VAL A 337 -0.813 4.731 0.204 1.00 0.32 C ATOM 0 H VAL A 337 0.053 7.336 -1.288 1.00 0.22 H new ATOM 0 HA VAL A 337 1.367 6.156 1.073 1.00 0.21 H new ATOM 0 HB VAL A 337 0.397 4.940 -1.537 1.00 0.26 H new ATOM 0 HG11 VAL A 337 0.920 2.772 -0.491 1.00 0.27 H new ATOM 0 HG12 VAL A 337 2.372 3.780 -0.697 1.00 0.27 H new ATOM 0 HG13 VAL A 337 1.618 3.623 0.907 1.00 0.27 H new ATOM 0 HG21 VAL A 337 -1.277 3.802 -0.129 1.00 0.32 H new ATOM 0 HG22 VAL A 337 -0.689 4.707 1.287 1.00 0.32 H new ATOM 0 HG23 VAL A 337 -1.449 5.573 -0.070 1.00 0.32 H new ATOM 490 N MET A 338 3.646 6.460 0.064 1.00 0.17 N ATOM 491 CA MET A 338 4.964 6.681 -0.512 1.00 0.17 C ATOM 492 C MET A 338 5.893 5.505 -0.237 1.00 0.16 C ATOM 493 O MET A 338 5.894 4.942 0.858 1.00 0.20 O ATOM 494 CB MET A 338 5.573 7.981 0.027 1.00 0.22 C ATOM 495 CG MET A 338 5.806 7.981 1.530 1.00 0.24 C ATOM 496 SD MET A 338 6.351 9.586 2.147 1.00 1.08 S ATOM 497 CE MET A 338 4.907 10.585 1.792 1.00 0.62 C ATOM 0 H MET A 338 3.626 6.421 1.083 1.00 0.17 H new ATOM 0 HA MET A 338 4.846 6.769 -1.592 1.00 0.17 H new ATOM 0 HB2 MET A 338 6.523 8.161 -0.477 1.00 0.22 H new ATOM 0 HB3 MET A 338 4.914 8.811 -0.228 1.00 0.22 H new ATOM 0 HG2 MET A 338 4.884 7.695 2.037 1.00 0.24 H new ATOM 0 HG3 MET A 338 6.553 7.227 1.778 1.00 0.24 H new ATOM 0 HE1 MET A 338 4.697 11.236 2.641 1.00 0.62 H new ATOM 0 HE2 MET A 338 5.094 11.193 0.907 1.00 0.62 H new ATOM 0 HE3 MET A 338 4.050 9.935 1.612 1.00 0.62 H new ATOM 507 N ARG A 339 6.666 5.127 -1.246 1.00 0.16 N ATOM 508 CA ARG A 339 7.642 4.057 -1.101 1.00 0.17 C ATOM 509 C ARG A 339 9.011 4.626 -0.770 1.00 0.16 C ATOM 510 O ARG A 339 9.726 5.104 -1.655 1.00 0.18 O ATOM 511 CB ARG A 339 7.737 3.212 -2.376 1.00 0.22 C ATOM 512 CG ARG A 339 6.463 2.459 -2.710 1.00 0.27 C ATOM 513 CD ARG A 339 6.721 1.347 -3.714 1.00 0.31 C ATOM 514 NE ARG A 339 7.057 1.846 -5.049 1.00 0.73 N ATOM 515 CZ ARG A 339 7.933 1.250 -5.859 1.00 1.03 C ATOM 516 NH1 ARG A 339 8.618 0.194 -5.441 1.00 1.15 N ATOM 517 NH2 ARG A 339 8.126 1.705 -7.091 1.00 1.55 N ATOM 0 H ARG A 339 6.636 5.547 -2.175 1.00 0.16 H new ATOM 0 HA ARG A 339 7.307 3.418 -0.284 1.00 0.17 H new ATOM 0 HB2 ARG A 339 7.993 3.862 -3.213 1.00 0.22 H new ATOM 0 HB3 ARG A 339 8.552 2.497 -2.266 1.00 0.22 H new ATOM 0 HG2 ARG A 339 6.039 2.037 -1.799 1.00 0.27 H new ATOM 0 HG3 ARG A 339 5.725 3.152 -3.114 1.00 0.27 H new ATOM 0 HD2 ARG A 339 7.535 0.720 -3.351 1.00 0.31 H new ATOM 0 HD3 ARG A 339 5.836 0.714 -3.781 1.00 0.31 H new ATOM 0 HE ARG A 339 6.596 2.695 -5.377 1.00 0.73 H new ATOM 0 HH11 ARG A 339 8.476 -0.165 -4.497 1.00 1.15 H new ATOM 0 HH12 ARG A 339 9.287 -0.259 -6.064 1.00 1.15 H new ATOM 0 HH21 ARG A 339 7.603 2.515 -7.423 1.00 1.55 H new ATOM 0 HH22 ARG A 339 8.798 1.245 -7.705 1.00 1.55 H new ATOM 531 N VAL A 340 9.367 4.592 0.502 1.00 0.18 N ATOM 532 CA VAL A 340 10.678 5.043 0.932 1.00 0.22 C ATOM 533 C VAL A 340 11.632 3.858 0.968 1.00 0.24 C ATOM 534 O VAL A 340 11.383 2.877 1.663 1.00 0.24 O ATOM 535 CB VAL A 340 10.627 5.703 2.328 1.00 0.25 C ATOM 536 CG1 VAL A 340 11.995 6.247 2.720 1.00 0.31 C ATOM 537 CG2 VAL A 340 9.580 6.808 2.363 1.00 0.28 C ATOM 0 H VAL A 340 8.766 4.257 1.255 1.00 0.18 H new ATOM 0 HA VAL A 340 11.027 5.791 0.220 1.00 0.22 H new ATOM 0 HB VAL A 340 10.344 4.940 3.053 1.00 0.25 H new ATOM 0 HG11 VAL A 340 11.935 6.707 3.706 1.00 0.31 H new ATOM 0 HG12 VAL A 340 12.718 5.431 2.744 1.00 0.31 H new ATOM 0 HG13 VAL A 340 12.313 6.992 1.991 1.00 0.31 H new ATOM 0 HG21 VAL A 340 9.561 7.259 3.355 1.00 0.28 H new ATOM 0 HG22 VAL A 340 9.829 7.569 1.623 1.00 0.28 H new ATOM 0 HG23 VAL A 340 8.600 6.388 2.136 1.00 0.28 H new ATOM 547 N ASP A 341 12.705 3.929 0.196 1.00 0.30 N ATOM 548 CA ASP A 341 13.669 2.841 0.160 1.00 0.36 C ATOM 549 C ASP A 341 14.351 2.689 1.512 1.00 0.38 C ATOM 550 O ASP A 341 14.732 3.676 2.136 1.00 0.41 O ATOM 551 CB ASP A 341 14.717 3.062 -0.925 1.00 0.46 C ATOM 552 CG ASP A 341 15.683 1.898 -1.009 1.00 0.55 C ATOM 553 OD1 ASP A 341 15.221 0.740 -0.968 1.00 0.67 O ATOM 554 OD2 ASP A 341 16.900 2.137 -1.107 1.00 0.77 O ATOM 0 H ASP A 341 12.929 4.720 -0.408 1.00 0.30 H new ATOM 0 HA ASP A 341 13.124 1.926 -0.072 1.00 0.36 H new ATOM 0 HB2 ASP A 341 14.223 3.197 -1.887 1.00 0.46 H new ATOM 0 HB3 ASP A 341 15.268 3.979 -0.719 1.00 0.46 H new ATOM 559 N GLU A 342 14.496 1.454 1.959 1.00 0.42 N ATOM 560 CA GLU A 342 15.101 1.171 3.251 1.00 0.47 C ATOM 561 C GLU A 342 16.608 1.412 3.185 1.00 0.60 C ATOM 562 O GLU A 342 17.201 1.973 4.107 1.00 0.72 O ATOM 563 CB GLU A 342 14.778 -0.279 3.649 1.00 0.49 C ATOM 564 CG GLU A 342 15.221 -0.691 5.047 1.00 0.60 C ATOM 565 CD GLU A 342 16.701 -0.997 5.137 1.00 0.95 C ATOM 566 OE1 GLU A 342 17.201 -1.781 4.303 1.00 1.51 O ATOM 567 OE2 GLU A 342 17.369 -0.466 6.051 1.00 1.36 O ATOM 0 H GLU A 342 14.201 0.625 1.443 1.00 0.42 H new ATOM 0 HA GLU A 342 14.694 1.838 4.011 1.00 0.47 H new ATOM 0 HB2 GLU A 342 13.701 -0.427 3.570 1.00 0.49 H new ATOM 0 HB3 GLU A 342 15.246 -0.948 2.927 1.00 0.49 H new ATOM 0 HG2 GLU A 342 14.978 0.107 5.748 1.00 0.60 H new ATOM 0 HG3 GLU A 342 14.655 -1.570 5.356 1.00 0.60 H new ATOM 574 N LYS A 343 17.210 1.021 2.072 1.00 0.69 N ATOM 575 CA LYS A 343 18.657 1.099 1.909 1.00 0.87 C ATOM 576 C LYS A 343 19.120 2.537 1.668 1.00 0.79 C ATOM 577 O LYS A 343 19.938 3.070 2.417 1.00 0.86 O ATOM 578 CB LYS A 343 19.090 0.201 0.746 1.00 1.08 C ATOM 579 CG LYS A 343 20.585 0.213 0.480 1.00 1.36 C ATOM 580 CD LYS A 343 20.944 -0.689 -0.690 1.00 1.63 C ATOM 581 CE LYS A 343 22.426 -0.606 -1.024 1.00 2.26 C ATOM 582 NZ LYS A 343 22.834 0.778 -1.387 1.00 3.06 N ATOM 0 H LYS A 343 16.717 0.644 1.263 1.00 0.69 H new ATOM 0 HA LYS A 343 19.124 0.755 2.832 1.00 0.87 H new ATOM 0 HB2 LYS A 343 18.777 -0.822 0.954 1.00 1.08 H new ATOM 0 HB3 LYS A 343 18.568 0.517 -0.157 1.00 1.08 H new ATOM 0 HG2 LYS A 343 20.911 1.232 0.270 1.00 1.36 H new ATOM 0 HG3 LYS A 343 21.118 -0.115 1.372 1.00 1.36 H new ATOM 0 HD2 LYS A 343 20.681 -1.719 -0.450 1.00 1.63 H new ATOM 0 HD3 LYS A 343 20.357 -0.405 -1.563 1.00 1.63 H new ATOM 0 HE2 LYS A 343 23.011 -0.945 -0.169 1.00 2.26 H new ATOM 0 HE3 LYS A 343 22.651 -1.280 -1.851 1.00 2.26 H new ATOM 0 HZ1 LYS A 343 23.759 0.754 -1.862 1.00 3.06 H new ATOM 0 HZ2 LYS A 343 22.127 1.192 -2.027 1.00 3.06 H new ATOM 0 HZ3 LYS A 343 22.902 1.357 -0.526 1.00 3.06 H new ATOM 596 N THR A 344 18.582 3.159 0.630 1.00 0.73 N ATOM 597 CA THR A 344 19.024 4.483 0.210 1.00 0.72 C ATOM 598 C THR A 344 18.244 5.593 0.923 1.00 0.63 C ATOM 599 O THR A 344 18.612 6.768 0.853 1.00 0.67 O ATOM 600 CB THR A 344 18.850 4.637 -1.315 1.00 0.80 C ATOM 601 OG1 THR A 344 19.053 3.367 -1.951 1.00 0.92 O ATOM 602 CG2 THR A 344 19.836 5.646 -1.882 1.00 0.92 C ATOM 0 H THR A 344 17.834 2.766 0.059 1.00 0.73 H new ATOM 0 HA THR A 344 20.076 4.579 0.478 1.00 0.72 H new ATOM 0 HB THR A 344 17.839 4.997 -1.508 1.00 0.80 H new ATOM 0 HG1 THR A 344 18.200 2.888 -2.004 1.00 0.92 H new ATOM 0 HG21 THR A 344 19.689 5.733 -2.959 1.00 0.92 H new ATOM 0 HG22 THR A 344 19.673 6.617 -1.414 1.00 0.92 H new ATOM 0 HG23 THR A 344 20.854 5.313 -1.680 1.00 0.92 H new ATOM 610 N LYS A 345 17.163 5.209 1.604 1.00 0.55 N ATOM 611 CA LYS A 345 16.299 6.158 2.316 1.00 0.52 C ATOM 612 C LYS A 345 15.719 7.201 1.365 1.00 0.53 C ATOM 613 O LYS A 345 15.478 8.345 1.748 1.00 0.61 O ATOM 614 CB LYS A 345 17.057 6.841 3.459 1.00 0.61 C ATOM 615 CG LYS A 345 17.311 5.928 4.647 1.00 0.63 C ATOM 616 CD LYS A 345 16.013 5.309 5.141 1.00 0.62 C ATOM 617 CE LYS A 345 16.213 4.508 6.414 1.00 0.71 C ATOM 618 NZ LYS A 345 16.552 5.372 7.576 1.00 1.50 N ATOM 0 H LYS A 345 16.861 4.238 1.679 1.00 0.55 H new ATOM 0 HA LYS A 345 15.472 5.590 2.742 1.00 0.52 H new ATOM 0 HB2 LYS A 345 18.012 7.209 3.083 1.00 0.61 H new ATOM 0 HB3 LYS A 345 16.490 7.710 3.793 1.00 0.61 H new ATOM 0 HG2 LYS A 345 18.009 5.141 4.363 1.00 0.63 H new ATOM 0 HG3 LYS A 345 17.779 6.494 5.453 1.00 0.63 H new ATOM 0 HD2 LYS A 345 15.281 6.097 5.320 1.00 0.62 H new ATOM 0 HD3 LYS A 345 15.602 4.662 4.366 1.00 0.62 H new ATOM 0 HE2 LYS A 345 15.305 3.947 6.634 1.00 0.71 H new ATOM 0 HE3 LYS A 345 17.009 3.779 6.261 1.00 0.71 H new ATOM 0 HZ1 LYS A 345 16.480 4.818 8.453 1.00 1.50 H new ATOM 0 HZ2 LYS A 345 17.523 5.730 7.471 1.00 1.50 H new ATOM 0 HZ3 LYS A 345 15.890 6.173 7.617 1.00 1.50 H new ATOM 632 N GLU A 346 15.471 6.785 0.134 1.00 0.53 N ATOM 633 CA GLU A 346 14.934 7.675 -0.882 1.00 0.58 C ATOM 634 C GLU A 346 13.481 7.341 -1.182 1.00 0.44 C ATOM 635 O GLU A 346 13.120 6.170 -1.318 1.00 0.42 O ATOM 636 CB GLU A 346 15.761 7.572 -2.164 1.00 0.77 C ATOM 637 CG GLU A 346 17.135 8.205 -2.051 1.00 0.95 C ATOM 638 CD GLU A 346 17.070 9.716 -1.990 1.00 1.61 C ATOM 639 OE1 GLU A 346 16.704 10.263 -0.929 1.00 2.46 O ATOM 640 OE2 GLU A 346 17.376 10.363 -3.009 1.00 1.81 O ATOM 0 H GLU A 346 15.634 5.831 -0.187 1.00 0.53 H new ATOM 0 HA GLU A 346 14.985 8.695 -0.500 1.00 0.58 H new ATOM 0 HB2 GLU A 346 15.875 6.521 -2.430 1.00 0.77 H new ATOM 0 HB3 GLU A 346 15.216 8.050 -2.978 1.00 0.77 H new ATOM 0 HG2 GLU A 346 17.633 7.829 -1.157 1.00 0.95 H new ATOM 0 HG3 GLU A 346 17.742 7.904 -2.905 1.00 0.95 H new ATOM 647 N VAL A 347 12.651 8.369 -1.272 1.00 0.39 N ATOM 648 CA VAL A 347 11.266 8.191 -1.672 1.00 0.33 C ATOM 649 C VAL A 347 11.210 7.937 -3.173 1.00 0.31 C ATOM 650 O VAL A 347 11.398 8.853 -3.975 1.00 0.42 O ATOM 651 CB VAL A 347 10.397 9.417 -1.319 1.00 0.41 C ATOM 652 CG1 VAL A 347 8.935 9.157 -1.649 1.00 0.54 C ATOM 653 CG2 VAL A 347 10.559 9.786 0.149 1.00 0.58 C ATOM 0 H VAL A 347 12.913 9.334 -1.073 1.00 0.39 H new ATOM 0 HA VAL A 347 10.864 7.338 -1.125 1.00 0.33 H new ATOM 0 HB VAL A 347 10.737 10.258 -1.923 1.00 0.41 H new ATOM 0 HG11 VAL A 347 8.342 10.035 -1.392 1.00 0.54 H new ATOM 0 HG12 VAL A 347 8.834 8.950 -2.714 1.00 0.54 H new ATOM 0 HG13 VAL A 347 8.580 8.299 -1.078 1.00 0.54 H new ATOM 0 HG21 VAL A 347 9.938 10.652 0.377 1.00 0.58 H new ATOM 0 HG22 VAL A 347 10.252 8.946 0.771 1.00 0.58 H new ATOM 0 HG23 VAL A 347 11.603 10.025 0.351 1.00 0.58 H new ATOM 663 N ILE A 348 10.988 6.687 -3.540 1.00 0.25 N ATOM 664 CA ILE A 348 11.022 6.278 -4.936 1.00 0.26 C ATOM 665 C ILE A 348 9.759 6.715 -5.665 1.00 0.26 C ATOM 666 O ILE A 348 9.814 7.499 -6.613 1.00 0.35 O ATOM 667 CB ILE A 348 11.184 4.747 -5.063 1.00 0.27 C ATOM 668 CG1 ILE A 348 12.449 4.286 -4.332 1.00 0.29 C ATOM 669 CG2 ILE A 348 11.232 4.333 -6.528 1.00 0.32 C ATOM 670 CD1 ILE A 348 12.629 2.783 -4.311 1.00 0.31 C ATOM 0 H ILE A 348 10.781 5.932 -2.886 1.00 0.25 H new ATOM 0 HA ILE A 348 11.883 6.765 -5.394 1.00 0.26 H new ATOM 0 HB ILE A 348 10.321 4.267 -4.601 1.00 0.27 H new ATOM 0 HG12 ILE A 348 13.318 4.740 -4.808 1.00 0.29 H new ATOM 0 HG13 ILE A 348 12.419 4.653 -3.306 1.00 0.29 H new ATOM 0 HG21 ILE A 348 11.346 3.251 -6.597 1.00 0.32 H new ATOM 0 HG22 ILE A 348 10.307 4.632 -7.021 1.00 0.32 H new ATOM 0 HG23 ILE A 348 12.077 4.819 -7.016 1.00 0.32 H new ATOM 0 HD11 ILE A 348 13.546 2.534 -3.776 1.00 0.31 H new ATOM 0 HD12 ILE A 348 11.779 2.322 -3.808 1.00 0.31 H new ATOM 0 HD13 ILE A 348 12.692 2.410 -5.333 1.00 0.31 H new ATOM 682 N GLN A 349 8.622 6.223 -5.204 1.00 0.23 N ATOM 683 CA GLN A 349 7.358 6.471 -5.875 1.00 0.23 C ATOM 684 C GLN A 349 6.269 6.767 -4.851 1.00 0.22 C ATOM 685 O GLN A 349 6.269 6.198 -3.758 1.00 0.29 O ATOM 686 CB GLN A 349 6.992 5.255 -6.725 1.00 0.28 C ATOM 687 CG GLN A 349 5.746 5.432 -7.571 1.00 0.40 C ATOM 688 CD GLN A 349 5.516 4.252 -8.491 1.00 0.86 C ATOM 689 OE1 GLN A 349 5.912 3.128 -8.182 1.00 1.65 O ATOM 690 NE2 GLN A 349 4.859 4.489 -9.613 1.00 0.81 N ATOM 0 H GLN A 349 8.548 5.648 -4.365 1.00 0.23 H new ATOM 0 HA GLN A 349 7.452 7.341 -6.525 1.00 0.23 H new ATOM 0 HB2 GLN A 349 7.831 5.020 -7.380 1.00 0.28 H new ATOM 0 HB3 GLN A 349 6.851 4.397 -6.068 1.00 0.28 H new ATOM 0 HG2 GLN A 349 4.881 5.559 -6.921 1.00 0.40 H new ATOM 0 HG3 GLN A 349 5.836 6.342 -8.164 1.00 0.40 H new ATOM 0 HE21 GLN A 349 4.548 5.436 -9.832 1.00 0.81 H new ATOM 0 HE22 GLN A 349 4.663 3.725 -10.260 1.00 0.81 H new ATOM 699 N GLU A 350 5.356 7.657 -5.206 1.00 0.23 N ATOM 700 CA GLU A 350 4.311 8.097 -4.295 1.00 0.25 C ATOM 701 C GLU A 350 2.952 8.105 -4.997 1.00 0.26 C ATOM 702 O GLU A 350 2.834 8.574 -6.131 1.00 0.36 O ATOM 703 CB GLU A 350 4.657 9.495 -3.781 1.00 0.30 C ATOM 704 CG GLU A 350 3.591 10.127 -2.906 1.00 0.36 C ATOM 705 CD GLU A 350 3.950 11.542 -2.512 1.00 0.45 C ATOM 706 OE1 GLU A 350 4.166 12.381 -3.409 1.00 0.60 O ATOM 707 OE2 GLU A 350 4.009 11.828 -1.297 1.00 0.65 O ATOM 0 H GLU A 350 5.318 8.092 -6.128 1.00 0.23 H new ATOM 0 HA GLU A 350 4.248 7.405 -3.455 1.00 0.25 H new ATOM 0 HB2 GLU A 350 5.587 9.440 -3.216 1.00 0.30 H new ATOM 0 HB3 GLU A 350 4.841 10.147 -4.635 1.00 0.30 H new ATOM 0 HG2 GLU A 350 2.639 10.129 -3.437 1.00 0.36 H new ATOM 0 HG3 GLU A 350 3.454 9.524 -2.008 1.00 0.36 H new ATOM 714 N TRP A 351 1.936 7.569 -4.330 1.00 0.23 N ATOM 715 CA TRP A 351 0.590 7.527 -4.887 1.00 0.26 C ATOM 716 C TRP A 351 -0.405 8.169 -3.933 1.00 0.25 C ATOM 717 O TRP A 351 -0.438 7.836 -2.754 1.00 0.52 O ATOM 718 CB TRP A 351 0.144 6.086 -5.139 1.00 0.30 C ATOM 719 CG TRP A 351 1.137 5.254 -5.882 1.00 0.30 C ATOM 720 CD1 TRP A 351 1.500 5.377 -7.190 1.00 0.38 C ATOM 721 CD2 TRP A 351 1.881 4.152 -5.359 1.00 0.30 C ATOM 722 NE1 TRP A 351 2.429 4.422 -7.511 1.00 0.41 N ATOM 723 CE2 TRP A 351 2.677 3.655 -6.403 1.00 0.34 C ATOM 724 CE3 TRP A 351 1.951 3.538 -4.104 1.00 0.35 C ATOM 725 CZ2 TRP A 351 3.534 2.572 -6.233 1.00 0.38 C ATOM 726 CZ3 TRP A 351 2.801 2.463 -3.938 1.00 0.40 C ATOM 727 CH2 TRP A 351 3.582 1.989 -4.999 1.00 0.39 C ATOM 0 H TRP A 351 2.020 7.157 -3.401 1.00 0.23 H new ATOM 0 HA TRP A 351 0.615 8.075 -5.829 1.00 0.26 H new ATOM 0 HB2 TRP A 351 -0.066 5.611 -4.181 1.00 0.30 H new ATOM 0 HB3 TRP A 351 -0.791 6.101 -5.699 1.00 0.30 H new ATOM 0 HD1 TRP A 351 1.112 6.118 -7.873 1.00 0.38 H new ATOM 0 HE1 TRP A 351 2.865 4.302 -8.425 1.00 0.41 H new ATOM 0 HE3 TRP A 351 1.352 3.898 -3.281 1.00 0.35 H new ATOM 0 HZ2 TRP A 351 4.140 2.205 -7.048 1.00 0.38 H new ATOM 0 HZ3 TRP A 351 2.865 1.980 -2.974 1.00 0.40 H new ATOM 0 HH2 TRP A 351 4.236 1.145 -4.838 1.00 0.39 H new ATOM 738 N SER A 352 -1.213 9.084 -4.439 1.00 0.31 N ATOM 739 CA SER A 352 -2.306 9.641 -3.661 1.00 0.30 C ATOM 740 C SER A 352 -3.332 8.548 -3.350 1.00 0.26 C ATOM 741 O SER A 352 -3.508 7.619 -4.139 1.00 0.28 O ATOM 742 CB SER A 352 -2.960 10.774 -4.449 1.00 0.35 C ATOM 743 OG SER A 352 -1.996 11.734 -4.847 1.00 1.27 O ATOM 0 H SER A 352 -1.133 9.457 -5.385 1.00 0.31 H new ATOM 0 HA SER A 352 -1.922 10.035 -2.720 1.00 0.30 H new ATOM 0 HB2 SER A 352 -3.461 10.369 -5.328 1.00 0.35 H new ATOM 0 HB3 SER A 352 -3.726 11.253 -3.838 1.00 0.35 H new ATOM 0 HG SER A 352 -2.436 12.450 -5.352 1.00 1.27 H new ATOM 749 N LEU A 353 -4.000 8.652 -2.202 1.00 0.25 N ATOM 750 CA LEU A 353 -5.015 7.668 -1.809 1.00 0.24 C ATOM 751 C LEU A 353 -6.150 7.630 -2.830 1.00 0.23 C ATOM 752 O LEU A 353 -6.854 6.631 -2.971 1.00 0.23 O ATOM 753 CB LEU A 353 -5.579 7.994 -0.422 1.00 0.25 C ATOM 754 CG LEU A 353 -4.563 7.978 0.722 1.00 0.26 C ATOM 755 CD1 LEU A 353 -5.244 8.310 2.041 1.00 0.31 C ATOM 756 CD2 LEU A 353 -3.874 6.626 0.808 1.00 0.26 C ATOM 0 H LEU A 353 -3.859 9.404 -1.528 1.00 0.25 H new ATOM 0 HA LEU A 353 -4.537 6.689 -1.773 1.00 0.24 H new ATOM 0 HB2 LEU A 353 -6.042 8.980 -0.460 1.00 0.25 H new ATOM 0 HB3 LEU A 353 -6.369 7.279 -0.193 1.00 0.25 H new ATOM 0 HG LEU A 353 -3.807 8.737 0.520 1.00 0.26 H new ATOM 0 HD11 LEU A 353 -4.508 8.294 2.845 1.00 0.31 H new ATOM 0 HD12 LEU A 353 -5.693 9.301 1.979 1.00 0.31 H new ATOM 0 HD13 LEU A 353 -6.020 7.572 2.246 1.00 0.31 H new ATOM 0 HD21 LEU A 353 -3.155 6.635 1.628 1.00 0.26 H new ATOM 0 HD22 LEU A 353 -4.618 5.849 0.986 1.00 0.26 H new ATOM 0 HD23 LEU A 353 -3.354 6.422 -0.128 1.00 0.26 H new ATOM 768 N THR A 354 -6.301 8.734 -3.543 1.00 0.26 N ATOM 769 CA THR A 354 -7.306 8.875 -4.582 1.00 0.28 C ATOM 770 C THR A 354 -6.960 8.034 -5.822 1.00 0.28 C ATOM 771 O THR A 354 -7.778 7.880 -6.731 1.00 0.35 O ATOM 772 CB THR A 354 -7.417 10.355 -4.989 1.00 0.36 C ATOM 773 OG1 THR A 354 -6.146 10.825 -5.462 1.00 0.44 O ATOM 774 CG2 THR A 354 -7.846 11.222 -3.814 1.00 0.42 C ATOM 0 H THR A 354 -5.724 9.565 -3.415 1.00 0.26 H new ATOM 0 HA THR A 354 -8.255 8.518 -4.183 1.00 0.28 H new ATOM 0 HB THR A 354 -8.169 10.427 -5.775 1.00 0.36 H new ATOM 0 HG1 THR A 354 -6.222 11.767 -5.722 1.00 0.44 H new ATOM 0 HG21 THR A 354 -7.915 12.261 -4.135 1.00 0.42 H new ATOM 0 HG22 THR A 354 -8.819 10.889 -3.452 1.00 0.42 H new ATOM 0 HG23 THR A 354 -7.112 11.138 -3.013 1.00 0.42 H new ATOM 782 N ASN A 355 -5.742 7.495 -5.852 1.00 0.26 N ATOM 783 CA ASN A 355 -5.265 6.720 -6.997 1.00 0.30 C ATOM 784 C ASN A 355 -5.371 5.226 -6.725 1.00 0.28 C ATOM 785 O ASN A 355 -5.010 4.405 -7.567 1.00 0.33 O ATOM 786 CB ASN A 355 -3.810 7.073 -7.323 1.00 0.37 C ATOM 787 CG ASN A 355 -3.636 8.505 -7.788 1.00 0.49 C ATOM 788 OD1 ASN A 355 -4.520 9.084 -8.415 1.00 0.83 O ATOM 789 ND2 ASN A 355 -2.486 9.084 -7.484 1.00 0.66 N ATOM 0 H ASN A 355 -5.065 7.581 -5.094 1.00 0.26 H new ATOM 0 HA ASN A 355 -5.896 6.972 -7.850 1.00 0.30 H new ATOM 0 HB2 ASN A 355 -3.195 6.907 -6.438 1.00 0.37 H new ATOM 0 HB3 ASN A 355 -3.443 6.399 -8.097 1.00 0.37 H new ATOM 0 HD21 ASN A 355 -2.308 10.046 -7.772 1.00 0.66 H new ATOM 0 HD22 ASN A 355 -1.778 8.568 -6.962 1.00 0.66 H new ATOM 796 N ILE A 356 -5.856 4.881 -5.544 1.00 0.26 N ATOM 797 CA ILE A 356 -6.014 3.486 -5.164 1.00 0.28 C ATOM 798 C ILE A 356 -7.324 2.938 -5.720 1.00 0.28 C ATOM 799 O ILE A 356 -8.316 3.656 -5.786 1.00 0.38 O ATOM 800 CB ILE A 356 -5.984 3.322 -3.624 1.00 0.31 C ATOM 801 CG1 ILE A 356 -4.627 3.775 -3.075 1.00 0.33 C ATOM 802 CG2 ILE A 356 -6.271 1.881 -3.223 1.00 0.36 C ATOM 803 CD1 ILE A 356 -4.520 3.692 -1.566 1.00 0.38 C ATOM 0 H ILE A 356 -6.148 5.549 -4.830 1.00 0.26 H new ATOM 0 HA ILE A 356 -5.181 2.923 -5.584 1.00 0.28 H new ATOM 0 HB ILE A 356 -6.765 3.950 -3.195 1.00 0.31 H new ATOM 0 HG12 ILE A 356 -3.843 3.163 -3.520 1.00 0.33 H new ATOM 0 HG13 ILE A 356 -4.444 4.803 -3.387 1.00 0.33 H new ATOM 0 HG21 ILE A 356 -6.244 1.793 -2.137 1.00 0.36 H new ATOM 0 HG22 ILE A 356 -7.257 1.592 -3.586 1.00 0.36 H new ATOM 0 HG23 ILE A 356 -5.517 1.225 -3.659 1.00 0.36 H new ATOM 0 HD11 ILE A 356 -3.532 4.029 -1.252 1.00 0.38 H new ATOM 0 HD12 ILE A 356 -5.281 4.327 -1.112 1.00 0.38 H new ATOM 0 HD13 ILE A 356 -4.670 2.661 -1.247 1.00 0.38 H new ATOM 815 N LYS A 357 -7.314 1.685 -6.149 1.00 0.26 N ATOM 816 CA LYS A 357 -8.521 1.042 -6.651 1.00 0.30 C ATOM 817 C LYS A 357 -9.025 -0.007 -5.661 1.00 0.31 C ATOM 818 O LYS A 357 -10.230 -0.139 -5.434 1.00 0.45 O ATOM 819 CB LYS A 357 -8.243 0.396 -8.009 1.00 0.35 C ATOM 820 CG LYS A 357 -9.437 -0.335 -8.603 1.00 0.46 C ATOM 821 CD LYS A 357 -9.090 -0.937 -9.952 1.00 0.60 C ATOM 822 CE LYS A 357 -10.249 -1.723 -10.538 1.00 0.79 C ATOM 823 NZ LYS A 357 -9.955 -2.179 -11.923 1.00 1.75 N ATOM 0 H LYS A 357 -6.484 1.092 -6.160 1.00 0.26 H new ATOM 0 HA LYS A 357 -9.294 1.801 -6.770 1.00 0.30 H new ATOM 0 HB2 LYS A 357 -7.919 1.168 -8.707 1.00 0.35 H new ATOM 0 HB3 LYS A 357 -7.416 -0.306 -7.903 1.00 0.35 H new ATOM 0 HG2 LYS A 357 -9.762 -1.122 -7.922 1.00 0.46 H new ATOM 0 HG3 LYS A 357 -10.273 0.356 -8.713 1.00 0.46 H new ATOM 0 HD2 LYS A 357 -8.805 -0.142 -10.641 1.00 0.60 H new ATOM 0 HD3 LYS A 357 -8.225 -1.592 -9.845 1.00 0.60 H new ATOM 0 HE2 LYS A 357 -10.460 -2.586 -9.907 1.00 0.79 H new ATOM 0 HE3 LYS A 357 -11.146 -1.103 -10.541 1.00 0.79 H new ATOM 0 HZ1 LYS A 357 -10.768 -2.712 -12.293 1.00 1.75 H new ATOM 0 HZ2 LYS A 357 -9.778 -1.353 -12.530 1.00 1.75 H new ATOM 0 HZ3 LYS A 357 -9.114 -2.790 -11.916 1.00 1.75 H new ATOM 837 N ARG A 358 -8.094 -0.754 -5.083 1.00 0.26 N ATOM 838 CA ARG A 358 -8.420 -1.813 -4.131 1.00 0.29 C ATOM 839 C ARG A 358 -7.149 -2.328 -3.477 1.00 0.28 C ATOM 840 O ARG A 358 -6.063 -2.195 -4.043 1.00 0.35 O ATOM 841 CB ARG A 358 -9.151 -2.964 -4.836 1.00 0.34 C ATOM 842 CG ARG A 358 -8.464 -3.435 -6.109 1.00 0.37 C ATOM 843 CD ARG A 358 -9.285 -4.489 -6.833 1.00 0.54 C ATOM 844 NE ARG A 358 -10.634 -4.014 -7.147 1.00 0.83 N ATOM 845 CZ ARG A 358 -11.334 -4.404 -8.211 1.00 1.19 C ATOM 846 NH1 ARG A 358 -10.793 -5.217 -9.111 1.00 1.46 N ATOM 847 NH2 ARG A 358 -12.570 -3.961 -8.390 1.00 1.75 N ATOM 0 H ARG A 358 -7.095 -0.646 -5.258 1.00 0.26 H new ATOM 0 HA ARG A 358 -9.077 -1.403 -3.364 1.00 0.29 H new ATOM 0 HB2 ARG A 358 -9.236 -3.805 -4.147 1.00 0.34 H new ATOM 0 HB3 ARG A 358 -10.165 -2.645 -5.077 1.00 0.34 H new ATOM 0 HG2 ARG A 358 -8.300 -2.584 -6.770 1.00 0.37 H new ATOM 0 HG3 ARG A 358 -7.483 -3.842 -5.864 1.00 0.37 H new ATOM 0 HD2 ARG A 358 -8.777 -4.774 -7.755 1.00 0.54 H new ATOM 0 HD3 ARG A 358 -9.351 -5.385 -6.215 1.00 0.54 H new ATOM 0 HE ARG A 358 -11.065 -3.343 -6.511 1.00 0.83 H new ATOM 0 HH11 ARG A 358 -9.835 -5.547 -8.990 1.00 1.46 H new ATOM 0 HH12 ARG A 358 -11.335 -5.512 -9.923 1.00 1.46 H new ATOM 0 HH21 ARG A 358 -12.986 -3.321 -7.713 1.00 1.75 H new ATOM 0 HH22 ARG A 358 -13.106 -4.260 -9.205 1.00 1.75 H new ATOM 861 N TRP A 359 -7.272 -2.898 -2.288 1.00 0.25 N ATOM 862 CA TRP A 359 -6.122 -3.481 -1.617 1.00 0.27 C ATOM 863 C TRP A 359 -6.479 -4.806 -0.961 1.00 0.28 C ATOM 864 O TRP A 359 -7.622 -5.029 -0.553 1.00 0.36 O ATOM 865 CB TRP A 359 -5.529 -2.512 -0.588 1.00 0.28 C ATOM 866 CG TRP A 359 -6.477 -2.077 0.491 1.00 0.27 C ATOM 867 CD1 TRP A 359 -6.766 -2.744 1.646 1.00 0.36 C ATOM 868 CD2 TRP A 359 -7.239 -0.867 0.525 1.00 0.25 C ATOM 869 NE1 TRP A 359 -7.663 -2.024 2.394 1.00 0.35 N ATOM 870 CE2 TRP A 359 -7.970 -0.868 1.726 1.00 0.29 C ATOM 871 CE3 TRP A 359 -7.375 0.217 -0.345 1.00 0.32 C ATOM 872 CZ2 TRP A 359 -8.822 0.173 2.079 1.00 0.33 C ATOM 873 CZ3 TRP A 359 -8.224 1.248 0.005 1.00 0.40 C ATOM 874 CH2 TRP A 359 -8.939 1.219 1.209 1.00 0.39 C ATOM 0 H TRP A 359 -8.149 -2.969 -1.772 1.00 0.25 H new ATOM 0 HA TRP A 359 -5.364 -3.673 -2.377 1.00 0.27 H new ATOM 0 HB2 TRP A 359 -4.664 -2.984 -0.122 1.00 0.28 H new ATOM 0 HB3 TRP A 359 -5.166 -1.627 -1.111 1.00 0.28 H new ATOM 0 HD1 TRP A 359 -6.349 -3.699 1.930 1.00 0.36 H new ATOM 0 HE1 TRP A 359 -8.040 -2.304 3.300 1.00 0.35 H new ATOM 0 HE3 TRP A 359 -6.826 0.248 -1.275 1.00 0.32 H new ATOM 0 HZ2 TRP A 359 -9.372 0.155 3.008 1.00 0.33 H new ATOM 0 HZ3 TRP A 359 -8.339 2.091 -0.661 1.00 0.40 H new ATOM 0 HH2 TRP A 359 -9.596 2.040 1.454 1.00 0.39 H new ATOM 885 N ALA A 360 -5.491 -5.684 -0.879 1.00 0.25 N ATOM 886 CA ALA A 360 -5.663 -6.983 -0.257 1.00 0.27 C ATOM 887 C ALA A 360 -4.855 -7.076 1.021 1.00 0.25 C ATOM 888 O ALA A 360 -3.622 -7.059 0.999 1.00 0.31 O ATOM 889 CB ALA A 360 -5.284 -8.092 -1.222 1.00 0.31 C ATOM 0 H ALA A 360 -4.552 -5.515 -1.241 1.00 0.25 H new ATOM 0 HA ALA A 360 -6.715 -7.104 0.001 1.00 0.27 H new ATOM 0 HB1 ALA A 360 -5.420 -9.059 -0.737 1.00 0.31 H new ATOM 0 HB2 ALA A 360 -5.919 -8.037 -2.106 1.00 0.31 H new ATOM 0 HB3 ALA A 360 -4.241 -7.977 -1.517 1.00 0.31 H new ATOM 895 N ALA A 361 -5.564 -7.153 2.133 1.00 0.26 N ATOM 896 CA ALA A 361 -4.938 -7.258 3.435 1.00 0.27 C ATOM 897 C ALA A 361 -4.818 -8.713 3.853 1.00 0.25 C ATOM 898 O ALA A 361 -5.801 -9.338 4.247 1.00 0.38 O ATOM 899 CB ALA A 361 -5.742 -6.479 4.461 1.00 0.35 C ATOM 0 H ALA A 361 -6.584 -7.144 2.158 1.00 0.26 H new ATOM 0 HA ALA A 361 -3.935 -6.835 3.376 1.00 0.27 H new ATOM 0 HB1 ALA A 361 -5.265 -6.563 5.437 1.00 0.35 H new ATOM 0 HB2 ALA A 361 -5.787 -5.430 4.168 1.00 0.35 H new ATOM 0 HB3 ALA A 361 -6.753 -6.884 4.515 1.00 0.35 H new ATOM 905 N SER A 362 -3.621 -9.259 3.738 1.00 0.32 N ATOM 906 CA SER A 362 -3.364 -10.626 4.150 1.00 0.40 C ATOM 907 C SER A 362 -2.225 -10.658 5.166 1.00 0.42 C ATOM 908 O SER A 362 -1.396 -9.748 5.199 1.00 0.44 O ATOM 909 CB SER A 362 -3.024 -11.485 2.928 1.00 0.47 C ATOM 910 OG SER A 362 -4.068 -11.436 1.968 1.00 1.00 O ATOM 0 H SER A 362 -2.808 -8.773 3.360 1.00 0.32 H new ATOM 0 HA SER A 362 -4.259 -11.034 4.621 1.00 0.40 H new ATOM 0 HB2 SER A 362 -2.095 -11.134 2.479 1.00 0.47 H new ATOM 0 HB3 SER A 362 -2.858 -12.517 3.238 1.00 0.47 H new ATOM 0 HG SER A 362 -3.829 -11.990 1.196 1.00 1.00 H new ATOM 916 N PRO A 363 -2.175 -11.695 6.018 1.00 0.46 N ATOM 917 CA PRO A 363 -1.132 -11.826 7.042 1.00 0.48 C ATOM 918 C PRO A 363 0.223 -12.229 6.458 1.00 0.45 C ATOM 919 O PRO A 363 1.214 -12.336 7.181 1.00 0.66 O ATOM 920 CB PRO A 363 -1.671 -12.931 7.951 1.00 0.58 C ATOM 921 CG PRO A 363 -2.540 -13.757 7.068 1.00 0.60 C ATOM 922 CD PRO A 363 -3.143 -12.809 6.069 1.00 0.53 C ATOM 0 HA PRO A 363 -0.945 -10.881 7.553 1.00 0.48 H new ATOM 0 HB2 PRO A 363 -0.861 -13.524 8.376 1.00 0.58 H new ATOM 0 HB3 PRO A 363 -2.235 -12.516 8.786 1.00 0.58 H new ATOM 0 HG2 PRO A 363 -1.961 -14.533 6.568 1.00 0.60 H new ATOM 0 HG3 PRO A 363 -3.316 -14.260 7.645 1.00 0.60 H new ATOM 0 HD2 PRO A 363 -3.265 -13.279 5.093 1.00 0.53 H new ATOM 0 HD3 PRO A 363 -4.129 -12.469 6.384 1.00 0.53 H new ATOM 930 N LYS A 364 0.261 -12.464 5.154 1.00 0.44 N ATOM 931 CA LYS A 364 1.500 -12.833 4.486 1.00 0.44 C ATOM 932 C LYS A 364 1.988 -11.714 3.568 1.00 0.37 C ATOM 933 O LYS A 364 3.192 -11.464 3.464 1.00 0.40 O ATOM 934 CB LYS A 364 1.302 -14.113 3.672 1.00 0.56 C ATOM 935 CG LYS A 364 2.581 -14.637 3.038 1.00 0.72 C ATOM 936 CD LYS A 364 2.301 -15.783 2.081 1.00 0.98 C ATOM 937 CE LYS A 364 3.586 -16.356 1.508 1.00 1.26 C ATOM 938 NZ LYS A 364 3.325 -17.362 0.448 1.00 2.08 N ATOM 0 H LYS A 364 -0.551 -12.406 4.539 1.00 0.44 H new ATOM 0 HA LYS A 364 2.254 -13.003 5.254 1.00 0.44 H new ATOM 0 HB2 LYS A 364 0.885 -14.884 4.320 1.00 0.56 H new ATOM 0 HB3 LYS A 364 0.569 -13.925 2.888 1.00 0.56 H new ATOM 0 HG2 LYS A 364 3.080 -13.829 2.503 1.00 0.72 H new ATOM 0 HG3 LYS A 364 3.264 -14.972 3.819 1.00 0.72 H new ATOM 0 HD2 LYS A 364 1.752 -16.567 2.602 1.00 0.98 H new ATOM 0 HD3 LYS A 364 1.664 -15.433 1.269 1.00 0.98 H new ATOM 0 HE2 LYS A 364 4.192 -15.548 1.099 1.00 1.26 H new ATOM 0 HE3 LYS A 364 4.166 -16.815 2.308 1.00 1.26 H new ATOM 0 HZ1 LYS A 364 4.229 -17.727 0.085 1.00 2.08 H new ATOM 0 HZ2 LYS A 364 2.769 -18.147 0.844 1.00 2.08 H new ATOM 0 HZ3 LYS A 364 2.794 -16.918 -0.328 1.00 2.08 H new ATOM 952 N SER A 365 1.053 -11.027 2.927 1.00 0.35 N ATOM 953 CA SER A 365 1.399 -10.000 1.960 1.00 0.34 C ATOM 954 C SER A 365 0.267 -8.991 1.792 1.00 0.32 C ATOM 955 O SER A 365 -0.909 -9.318 1.967 1.00 0.52 O ATOM 956 CB SER A 365 1.737 -10.651 0.615 1.00 0.40 C ATOM 957 OG SER A 365 0.768 -11.627 0.262 1.00 1.32 O ATOM 0 H SER A 365 0.051 -11.163 3.060 1.00 0.35 H new ATOM 0 HA SER A 365 2.271 -9.460 2.330 1.00 0.34 H new ATOM 0 HB2 SER A 365 1.787 -9.886 -0.160 1.00 0.40 H new ATOM 0 HB3 SER A 365 2.722 -11.115 0.669 1.00 0.40 H new ATOM 0 HG SER A 365 1.005 -12.026 -0.601 1.00 1.32 H new ATOM 963 N PHE A 366 0.635 -7.764 1.456 1.00 0.19 N ATOM 964 CA PHE A 366 -0.328 -6.704 1.210 1.00 0.16 C ATOM 965 C PHE A 366 -0.227 -6.261 -0.247 1.00 0.16 C ATOM 966 O PHE A 366 0.858 -5.921 -0.722 1.00 0.28 O ATOM 967 CB PHE A 366 -0.060 -5.527 2.153 1.00 0.19 C ATOM 968 CG PHE A 366 -1.063 -4.414 2.051 1.00 0.20 C ATOM 969 CD1 PHE A 366 -2.319 -4.544 2.619 1.00 0.23 C ATOM 970 CD2 PHE A 366 -0.746 -3.236 1.396 1.00 0.25 C ATOM 971 CE1 PHE A 366 -3.242 -3.520 2.536 1.00 0.28 C ATOM 972 CE2 PHE A 366 -1.664 -2.210 1.308 1.00 0.29 C ATOM 973 CZ PHE A 366 -2.914 -2.351 1.878 1.00 0.30 C ATOM 0 H PHE A 366 1.608 -7.476 1.347 1.00 0.19 H new ATOM 0 HA PHE A 366 -1.337 -7.071 1.399 1.00 0.16 H new ATOM 0 HB2 PHE A 366 -0.045 -5.894 3.179 1.00 0.19 H new ATOM 0 HB3 PHE A 366 0.932 -5.127 1.943 1.00 0.19 H new ATOM 0 HD1 PHE A 366 -2.580 -5.457 3.133 1.00 0.23 H new ATOM 0 HD2 PHE A 366 0.230 -3.119 0.949 1.00 0.25 H new ATOM 0 HE1 PHE A 366 -4.218 -3.633 2.985 1.00 0.28 H new ATOM 0 HE2 PHE A 366 -1.405 -1.296 0.793 1.00 0.29 H new ATOM 0 HZ PHE A 366 -3.634 -1.549 1.809 1.00 0.30 H new ATOM 983 N THR A 367 -1.348 -6.285 -0.953 1.00 0.17 N ATOM 984 CA THR A 367 -1.364 -5.945 -2.370 1.00 0.19 C ATOM 985 C THR A 367 -2.228 -4.716 -2.644 1.00 0.19 C ATOM 986 O THR A 367 -3.415 -4.704 -2.330 1.00 0.27 O ATOM 987 CB THR A 367 -1.890 -7.125 -3.215 1.00 0.26 C ATOM 988 OG1 THR A 367 -1.067 -8.282 -3.006 1.00 0.34 O ATOM 989 CG2 THR A 367 -1.912 -6.778 -4.699 1.00 0.32 C ATOM 0 H THR A 367 -2.259 -6.536 -0.569 1.00 0.17 H new ATOM 0 HA THR A 367 -0.335 -5.723 -2.652 1.00 0.19 H new ATOM 0 HB THR A 367 -2.911 -7.336 -2.897 1.00 0.26 H new ATOM 0 HG1 THR A 367 -0.312 -8.263 -3.630 1.00 0.34 H new ATOM 0 HG21 THR A 367 -2.287 -7.630 -5.266 1.00 0.32 H new ATOM 0 HG22 THR A 367 -2.562 -5.918 -4.862 1.00 0.32 H new ATOM 0 HG23 THR A 367 -0.902 -6.537 -5.031 1.00 0.32 H new ATOM 997 N LEU A 368 -1.623 -3.686 -3.218 1.00 0.20 N ATOM 998 CA LEU A 368 -2.361 -2.516 -3.671 1.00 0.22 C ATOM 999 C LEU A 368 -2.587 -2.587 -5.174 1.00 0.23 C ATOM 1000 O LEU A 368 -1.677 -2.930 -5.930 1.00 0.33 O ATOM 1001 CB LEU A 368 -1.604 -1.227 -3.335 1.00 0.24 C ATOM 1002 CG LEU A 368 -1.677 -0.774 -1.875 1.00 0.25 C ATOM 1003 CD1 LEU A 368 -0.737 0.396 -1.631 1.00 0.29 C ATOM 1004 CD2 LEU A 368 -3.100 -0.382 -1.515 1.00 0.25 C ATOM 0 H LEU A 368 -0.617 -3.637 -3.382 1.00 0.20 H new ATOM 0 HA LEU A 368 -3.322 -2.506 -3.156 1.00 0.22 H new ATOM 0 HB2 LEU A 368 -0.556 -1.363 -3.602 1.00 0.24 H new ATOM 0 HB3 LEU A 368 -1.991 -0.426 -3.964 1.00 0.24 H new ATOM 0 HG LEU A 368 -1.369 -1.606 -1.242 1.00 0.25 H new ATOM 0 HD11 LEU A 368 -0.803 0.704 -0.588 1.00 0.29 H new ATOM 0 HD12 LEU A 368 0.286 0.094 -1.856 1.00 0.29 H new ATOM 0 HD13 LEU A 368 -1.019 1.230 -2.274 1.00 0.29 H new ATOM 0 HD21 LEU A 368 -3.137 -0.062 -0.474 1.00 0.25 H new ATOM 0 HD22 LEU A 368 -3.426 0.436 -2.158 1.00 0.25 H new ATOM 0 HD23 LEU A 368 -3.760 -1.238 -1.655 1.00 0.25 H new ATOM 1016 N ASP A 369 -3.803 -2.287 -5.598 1.00 0.21 N ATOM 1017 CA ASP A 369 -4.119 -2.176 -7.015 1.00 0.24 C ATOM 1018 C ASP A 369 -4.499 -0.742 -7.341 1.00 0.21 C ATOM 1019 O ASP A 369 -5.237 -0.101 -6.588 1.00 0.22 O ATOM 1020 CB ASP A 369 -5.256 -3.127 -7.402 1.00 0.31 C ATOM 1021 CG ASP A 369 -5.723 -2.935 -8.837 1.00 0.99 C ATOM 1022 OD1 ASP A 369 -4.879 -2.626 -9.703 1.00 1.52 O ATOM 1023 OD2 ASP A 369 -6.931 -3.095 -9.109 1.00 1.47 O ATOM 0 H ASP A 369 -4.594 -2.115 -4.977 1.00 0.21 H new ATOM 0 HA ASP A 369 -3.237 -2.457 -7.591 1.00 0.24 H new ATOM 0 HB2 ASP A 369 -4.924 -4.156 -7.268 1.00 0.31 H new ATOM 0 HB3 ASP A 369 -6.098 -2.973 -6.727 1.00 0.31 H new ATOM 1028 N PHE A 370 -3.984 -0.241 -8.451 1.00 0.25 N ATOM 1029 CA PHE A 370 -4.210 1.140 -8.843 1.00 0.26 C ATOM 1030 C PHE A 370 -5.024 1.201 -10.127 1.00 0.31 C ATOM 1031 O PHE A 370 -5.292 2.281 -10.654 1.00 0.35 O ATOM 1032 CB PHE A 370 -2.872 1.858 -9.013 1.00 0.31 C ATOM 1033 CG PHE A 370 -1.997 1.749 -7.798 1.00 0.32 C ATOM 1034 CD1 PHE A 370 -2.249 2.522 -6.677 1.00 0.35 C ATOM 1035 CD2 PHE A 370 -0.934 0.861 -7.771 1.00 0.37 C ATOM 1036 CE1 PHE A 370 -1.457 2.412 -5.551 1.00 0.41 C ATOM 1037 CE2 PHE A 370 -0.137 0.749 -6.650 1.00 0.42 C ATOM 1038 CZ PHE A 370 -0.400 1.524 -5.539 1.00 0.44 C ATOM 0 H PHE A 370 -3.404 -0.773 -9.100 1.00 0.25 H new ATOM 0 HA PHE A 370 -4.777 1.643 -8.060 1.00 0.26 H new ATOM 0 HB2 PHE A 370 -2.347 1.441 -9.872 1.00 0.31 H new ATOM 0 HB3 PHE A 370 -3.054 2.910 -9.231 1.00 0.31 H new ATOM 0 HD1 PHE A 370 -3.074 3.219 -6.683 1.00 0.35 H new ATOM 0 HD2 PHE A 370 -0.727 0.250 -8.637 1.00 0.37 H new ATOM 0 HE1 PHE A 370 -1.664 3.019 -4.682 1.00 0.41 H new ATOM 0 HE2 PHE A 370 0.691 0.056 -6.642 1.00 0.42 H new ATOM 0 HZ PHE A 370 0.221 1.436 -4.660 1.00 0.44 H new ATOM 1048 N GLY A 371 -5.400 0.027 -10.624 1.00 0.40 N ATOM 1049 CA GLY A 371 -6.271 -0.067 -11.779 1.00 0.50 C ATOM 1050 C GLY A 371 -5.724 0.619 -13.015 1.00 0.49 C ATOM 1051 O GLY A 371 -4.822 0.106 -13.680 1.00 0.58 O ATOM 0 H GLY A 371 -5.111 -0.873 -10.240 1.00 0.40 H new ATOM 0 HA2 GLY A 371 -6.446 -1.119 -12.006 1.00 0.50 H new ATOM 0 HA3 GLY A 371 -7.238 0.370 -11.530 1.00 0.50 H new ATOM 1055 N ASP A 372 -6.267 1.790 -13.309 1.00 0.49 N ATOM 1056 CA ASP A 372 -5.951 2.506 -14.536 1.00 0.56 C ATOM 1057 C ASP A 372 -4.814 3.493 -14.319 1.00 0.55 C ATOM 1058 O ASP A 372 -4.488 4.279 -15.211 1.00 0.72 O ATOM 1059 CB ASP A 372 -7.184 3.259 -15.044 1.00 0.71 C ATOM 1060 CG ASP A 372 -8.384 2.359 -15.260 1.00 1.57 C ATOM 1061 OD1 ASP A 372 -8.500 1.760 -16.349 1.00 1.89 O ATOM 1062 OD2 ASP A 372 -9.226 2.252 -14.342 1.00 2.38 O ATOM 0 H ASP A 372 -6.936 2.270 -12.707 1.00 0.49 H new ATOM 0 HA ASP A 372 -5.639 1.771 -15.278 1.00 0.56 H new ATOM 0 HB2 ASP A 372 -7.446 4.039 -14.329 1.00 0.71 H new ATOM 0 HB3 ASP A 372 -6.937 3.757 -15.982 1.00 0.71 H new ATOM 1067 N TYR A 373 -4.205 3.460 -13.144 1.00 0.52 N ATOM 1068 CA TYR A 373 -3.126 4.385 -12.832 1.00 0.51 C ATOM 1069 C TYR A 373 -1.783 3.831 -13.309 1.00 0.52 C ATOM 1070 O TYR A 373 -0.916 4.584 -13.755 1.00 0.60 O ATOM 1071 CB TYR A 373 -3.085 4.670 -11.327 1.00 0.50 C ATOM 1072 CG TYR A 373 -2.166 5.811 -10.951 1.00 0.51 C ATOM 1073 CD1 TYR A 373 -2.540 7.128 -11.177 1.00 0.56 C ATOM 1074 CD2 TYR A 373 -0.927 5.571 -10.372 1.00 0.56 C ATOM 1075 CE1 TYR A 373 -1.706 8.176 -10.838 1.00 0.64 C ATOM 1076 CE2 TYR A 373 -0.088 6.613 -10.029 1.00 0.64 C ATOM 1077 CZ TYR A 373 -0.482 7.912 -10.264 1.00 0.67 C ATOM 1078 OH TYR A 373 0.356 8.953 -9.929 1.00 0.79 O ATOM 0 H TYR A 373 -4.437 2.808 -12.395 1.00 0.52 H new ATOM 0 HA TYR A 373 -3.315 5.321 -13.357 1.00 0.51 H new ATOM 0 HB2 TYR A 373 -4.093 4.898 -10.981 1.00 0.50 H new ATOM 0 HB3 TYR A 373 -2.765 3.769 -10.804 1.00 0.50 H new ATOM 0 HD1 TYR A 373 -3.500 7.337 -11.626 1.00 0.56 H new ATOM 0 HD2 TYR A 373 -0.615 4.554 -10.187 1.00 0.56 H new ATOM 0 HE1 TYR A 373 -2.012 9.195 -11.022 1.00 0.64 H new ATOM 0 HE2 TYR A 373 0.872 6.410 -9.579 1.00 0.64 H new ATOM 0 HH TYR A 373 1.179 8.596 -9.533 1.00 0.79 H new ATOM 1088 N GLN A 374 -1.617 2.515 -13.224 1.00 0.53 N ATOM 1089 CA GLN A 374 -0.402 1.866 -13.705 1.00 0.59 C ATOM 1090 C GLN A 374 -0.677 0.401 -14.014 1.00 0.60 C ATOM 1091 O GLN A 374 -1.753 -0.113 -13.706 1.00 0.59 O ATOM 1092 CB GLN A 374 0.733 1.974 -12.677 1.00 0.63 C ATOM 1093 CG GLN A 374 0.489 1.208 -11.391 1.00 0.59 C ATOM 1094 CD GLN A 374 1.731 1.148 -10.527 1.00 0.69 C ATOM 1095 OE1 GLN A 374 2.512 0.202 -10.601 1.00 1.09 O ATOM 1096 NE2 GLN A 374 1.944 2.182 -9.736 1.00 0.85 N ATOM 0 H GLN A 374 -2.307 1.878 -12.827 1.00 0.53 H new ATOM 0 HA GLN A 374 -0.089 2.377 -14.615 1.00 0.59 H new ATOM 0 HB2 GLN A 374 1.655 1.611 -13.132 1.00 0.63 H new ATOM 0 HB3 GLN A 374 0.889 3.025 -12.435 1.00 0.63 H new ATOM 0 HG2 GLN A 374 -0.319 1.682 -10.833 1.00 0.59 H new ATOM 0 HG3 GLN A 374 0.162 0.196 -11.628 1.00 0.59 H new ATOM 0 HE21 GLN A 374 1.270 2.947 -9.704 1.00 0.85 H new ATOM 0 HE22 GLN A 374 2.782 2.216 -9.156 1.00 0.85 H new ATOM 1105 N ASP A 375 0.289 -0.264 -14.631 1.00 0.74 N ATOM 1106 CA ASP A 375 0.171 -1.687 -14.924 1.00 0.78 C ATOM 1107 C ASP A 375 0.799 -2.512 -13.813 1.00 0.64 C ATOM 1108 O ASP A 375 1.894 -2.202 -13.345 1.00 0.73 O ATOM 1109 CB ASP A 375 0.835 -2.031 -16.260 1.00 1.06 C ATOM 1110 CG ASP A 375 0.901 -3.529 -16.507 1.00 1.71 C ATOM 1111 OD1 ASP A 375 -0.151 -4.136 -16.791 1.00 2.21 O ATOM 1112 OD2 ASP A 375 2.006 -4.108 -16.410 1.00 2.30 O ATOM 0 H ASP A 375 1.165 0.159 -14.939 1.00 0.74 H new ATOM 0 HA ASP A 375 -0.890 -1.926 -14.992 1.00 0.78 H new ATOM 0 HB2 ASP A 375 0.282 -1.556 -17.070 1.00 1.06 H new ATOM 0 HB3 ASP A 375 1.844 -1.618 -16.278 1.00 1.06 H new ATOM 1117 N GLY A 376 0.098 -3.550 -13.391 1.00 0.57 N ATOM 1118 CA GLY A 376 0.618 -4.421 -12.362 1.00 0.53 C ATOM 1119 C GLY A 376 0.041 -4.099 -11.004 1.00 0.52 C ATOM 1120 O GLY A 376 -0.851 -3.256 -10.886 1.00 0.70 O ATOM 0 H GLY A 376 -0.824 -3.805 -13.744 1.00 0.57 H new ATOM 0 HA2 GLY A 376 0.392 -5.457 -12.616 1.00 0.53 H new ATOM 0 HA3 GLY A 376 1.704 -4.331 -12.325 1.00 0.53 H new ATOM 1124 N TYR A 377 0.536 -4.771 -9.977 1.00 0.46 N ATOM 1125 CA TYR A 377 0.066 -4.543 -8.623 1.00 0.46 C ATOM 1126 C TYR A 377 1.222 -4.137 -7.722 1.00 0.37 C ATOM 1127 O TYR A 377 2.378 -4.105 -8.146 1.00 0.38 O ATOM 1128 CB TYR A 377 -0.606 -5.802 -8.060 1.00 0.53 C ATOM 1129 CG TYR A 377 -1.815 -6.262 -8.843 1.00 0.63 C ATOM 1130 CD1 TYR A 377 -3.008 -5.558 -8.787 1.00 0.83 C ATOM 1131 CD2 TYR A 377 -1.763 -7.405 -9.628 1.00 0.64 C ATOM 1132 CE1 TYR A 377 -4.118 -5.979 -9.495 1.00 0.97 C ATOM 1133 CE2 TYR A 377 -2.868 -7.832 -10.340 1.00 0.76 C ATOM 1134 CZ TYR A 377 -4.044 -7.114 -10.270 1.00 0.91 C ATOM 1135 OH TYR A 377 -5.149 -7.538 -10.973 1.00 1.06 O ATOM 0 H TYR A 377 1.265 -5.480 -10.057 1.00 0.46 H new ATOM 0 HA TYR A 377 -0.667 -3.737 -8.653 1.00 0.46 H new ATOM 0 HB2 TYR A 377 0.125 -6.610 -8.034 1.00 0.53 H new ATOM 0 HB3 TYR A 377 -0.906 -5.610 -7.030 1.00 0.53 H new ATOM 0 HD1 TYR A 377 -3.071 -4.667 -8.181 1.00 0.83 H new ATOM 0 HD2 TYR A 377 -0.844 -7.970 -9.684 1.00 0.64 H new ATOM 0 HE1 TYR A 377 -5.040 -5.419 -9.440 1.00 0.97 H new ATOM 0 HE2 TYR A 377 -2.811 -8.723 -10.948 1.00 0.76 H new ATOM 0 HH TYR A 377 -4.928 -8.353 -11.470 1.00 1.06 H new ATOM 1145 N TYR A 378 0.905 -3.839 -6.478 1.00 0.32 N ATOM 1146 CA TYR A 378 1.911 -3.504 -5.489 1.00 0.29 C ATOM 1147 C TYR A 378 1.807 -4.468 -4.317 1.00 0.24 C ATOM 1148 O TYR A 378 1.091 -4.215 -3.350 1.00 0.26 O ATOM 1149 CB TYR A 378 1.733 -2.050 -5.034 1.00 0.31 C ATOM 1150 CG TYR A 378 2.673 -1.613 -3.931 1.00 0.32 C ATOM 1151 CD1 TYR A 378 4.045 -1.779 -4.048 1.00 0.36 C ATOM 1152 CD2 TYR A 378 2.181 -1.017 -2.778 1.00 0.37 C ATOM 1153 CE1 TYR A 378 4.899 -1.365 -3.044 1.00 0.41 C ATOM 1154 CE2 TYR A 378 3.024 -0.602 -1.771 1.00 0.40 C ATOM 1155 CZ TYR A 378 4.383 -0.777 -1.906 1.00 0.41 C ATOM 1156 OH TYR A 378 5.230 -0.359 -0.905 1.00 0.47 O ATOM 0 H TYR A 378 -0.052 -3.822 -6.125 1.00 0.32 H new ATOM 0 HA TYR A 378 2.906 -3.598 -5.925 1.00 0.29 H new ATOM 0 HB2 TYR A 378 1.874 -1.395 -5.894 1.00 0.31 H new ATOM 0 HB3 TYR A 378 0.707 -1.913 -4.694 1.00 0.31 H new ATOM 0 HD1 TYR A 378 4.452 -2.239 -4.937 1.00 0.36 H new ATOM 0 HD2 TYR A 378 1.116 -0.876 -2.668 1.00 0.37 H new ATOM 0 HE1 TYR A 378 5.965 -1.501 -3.149 1.00 0.41 H new ATOM 0 HE2 TYR A 378 2.621 -0.142 -0.881 1.00 0.40 H new ATOM 0 HH TYR A 378 6.092 -0.099 -1.293 1.00 0.47 H new ATOM 1166 N SER A 379 2.489 -5.596 -4.437 1.00 0.26 N ATOM 1167 CA SER A 379 2.442 -6.630 -3.419 1.00 0.27 C ATOM 1168 C SER A 379 3.728 -6.649 -2.609 1.00 0.24 C ATOM 1169 O SER A 379 4.819 -6.840 -3.154 1.00 0.29 O ATOM 1170 CB SER A 379 2.212 -7.995 -4.066 1.00 0.36 C ATOM 1171 OG SER A 379 1.026 -7.992 -4.840 1.00 1.06 O ATOM 0 H SER A 379 3.085 -5.818 -5.235 1.00 0.26 H new ATOM 0 HA SER A 379 1.614 -6.410 -2.746 1.00 0.27 H new ATOM 0 HB2 SER A 379 3.063 -8.251 -4.697 1.00 0.36 H new ATOM 0 HB3 SER A 379 2.146 -8.762 -3.294 1.00 0.36 H new ATOM 0 HG SER A 379 0.898 -8.875 -5.246 1.00 1.06 H new ATOM 1177 N VAL A 380 3.593 -6.441 -1.314 1.00 0.22 N ATOM 1178 CA VAL A 380 4.730 -6.468 -0.415 1.00 0.24 C ATOM 1179 C VAL A 380 4.516 -7.496 0.685 1.00 0.23 C ATOM 1180 O VAL A 380 3.395 -7.687 1.157 1.00 0.30 O ATOM 1181 CB VAL A 380 4.994 -5.084 0.212 1.00 0.27 C ATOM 1182 CG1 VAL A 380 5.473 -4.109 -0.849 1.00 0.33 C ATOM 1183 CG2 VAL A 380 3.745 -4.551 0.905 1.00 0.29 C ATOM 0 H VAL A 380 2.701 -6.250 -0.858 1.00 0.22 H new ATOM 0 HA VAL A 380 5.603 -6.746 -1.005 1.00 0.24 H new ATOM 0 HB VAL A 380 5.775 -5.193 0.965 1.00 0.27 H new ATOM 0 HG11 VAL A 380 5.656 -3.136 -0.393 1.00 0.33 H new ATOM 0 HG12 VAL A 380 6.396 -4.480 -1.294 1.00 0.33 H new ATOM 0 HG13 VAL A 380 4.711 -4.010 -1.623 1.00 0.33 H new ATOM 0 HG21 VAL A 380 3.958 -3.574 1.339 1.00 0.29 H new ATOM 0 HG22 VAL A 380 2.938 -4.457 0.179 1.00 0.29 H new ATOM 0 HG23 VAL A 380 3.445 -5.240 1.694 1.00 0.29 H new ATOM 1193 N GLN A 381 5.586 -8.170 1.068 1.00 0.22 N ATOM 1194 CA GLN A 381 5.524 -9.158 2.130 1.00 0.24 C ATOM 1195 C GLN A 381 5.462 -8.461 3.480 1.00 0.24 C ATOM 1196 O GLN A 381 6.325 -7.642 3.804 1.00 0.32 O ATOM 1197 CB GLN A 381 6.736 -10.087 2.068 1.00 0.34 C ATOM 1198 CG GLN A 381 6.716 -11.185 3.118 1.00 0.43 C ATOM 1199 CD GLN A 381 7.912 -12.108 3.024 1.00 0.72 C ATOM 1200 OE1 GLN A 381 8.997 -11.702 2.615 1.00 1.47 O ATOM 1201 NE2 GLN A 381 7.720 -13.358 3.404 1.00 0.94 N ATOM 0 H GLN A 381 6.512 -8.050 0.657 1.00 0.22 H new ATOM 0 HA GLN A 381 4.624 -9.759 1.999 1.00 0.24 H new ATOM 0 HB2 GLN A 381 6.784 -10.543 1.079 1.00 0.34 H new ATOM 0 HB3 GLN A 381 7.643 -9.495 2.190 1.00 0.34 H new ATOM 0 HG2 GLN A 381 6.689 -10.733 4.109 1.00 0.43 H new ATOM 0 HG3 GLN A 381 5.802 -11.769 3.009 1.00 0.43 H new ATOM 0 HE21 GLN A 381 6.803 -13.654 3.738 1.00 0.94 H new ATOM 0 HE22 GLN A 381 8.489 -14.027 3.364 1.00 0.94 H new ATOM 1210 N THR A 382 4.432 -8.776 4.249 1.00 0.21 N ATOM 1211 CA THR A 382 4.234 -8.176 5.556 1.00 0.26 C ATOM 1212 C THR A 382 3.170 -8.936 6.334 1.00 0.25 C ATOM 1213 O THR A 382 2.208 -9.449 5.759 1.00 0.30 O ATOM 1214 CB THR A 382 3.826 -6.687 5.451 1.00 0.30 C ATOM 1215 OG1 THR A 382 3.486 -6.174 6.745 1.00 0.42 O ATOM 1216 CG2 THR A 382 2.646 -6.501 4.508 1.00 0.28 C ATOM 0 H THR A 382 3.714 -9.451 3.986 1.00 0.21 H new ATOM 0 HA THR A 382 5.187 -8.233 6.083 1.00 0.26 H new ATOM 0 HB THR A 382 4.679 -6.138 5.051 1.00 0.30 H new ATOM 0 HG1 THR A 382 2.593 -5.773 6.713 1.00 0.42 H new ATOM 0 HG21 THR A 382 2.384 -5.444 4.457 1.00 0.28 H new ATOM 0 HG22 THR A 382 2.915 -6.857 3.514 1.00 0.28 H new ATOM 0 HG23 THR A 382 1.792 -7.069 4.878 1.00 0.28 H new ATOM 1224 N THR A 383 3.358 -9.023 7.639 1.00 0.31 N ATOM 1225 CA THR A 383 2.379 -9.641 8.510 1.00 0.37 C ATOM 1226 C THR A 383 1.378 -8.600 8.997 1.00 0.36 C ATOM 1227 O THR A 383 0.378 -8.927 9.637 1.00 0.46 O ATOM 1228 CB THR A 383 3.069 -10.308 9.714 1.00 0.50 C ATOM 1229 OG1 THR A 383 4.057 -9.421 10.258 1.00 0.55 O ATOM 1230 CG2 THR A 383 3.728 -11.617 9.308 1.00 0.55 C ATOM 0 H THR A 383 4.186 -8.670 8.119 1.00 0.31 H new ATOM 0 HA THR A 383 1.850 -10.407 7.943 1.00 0.37 H new ATOM 0 HB THR A 383 2.311 -10.522 10.467 1.00 0.50 H new ATOM 0 HG1 THR A 383 4.493 -9.848 11.025 1.00 0.55 H new ATOM 0 HG21 THR A 383 4.208 -12.067 10.177 1.00 0.55 H new ATOM 0 HG22 THR A 383 2.973 -12.299 8.917 1.00 0.55 H new ATOM 0 HG23 THR A 383 4.476 -11.425 8.539 1.00 0.55 H new ATOM 1238 N GLU A 384 1.646 -7.342 8.664 1.00 0.31 N ATOM 1239 CA GLU A 384 0.819 -6.232 9.112 1.00 0.35 C ATOM 1240 C GLU A 384 -0.058 -5.715 7.977 1.00 0.28 C ATOM 1241 O GLU A 384 -0.419 -4.537 7.946 1.00 0.27 O ATOM 1242 CB GLU A 384 1.698 -5.103 9.652 1.00 0.46 C ATOM 1243 CG GLU A 384 2.555 -5.518 10.836 1.00 0.57 C ATOM 1244 CD GLU A 384 3.368 -4.375 11.406 1.00 0.90 C ATOM 1245 OE1 GLU A 384 4.519 -4.168 10.951 1.00 0.95 O ATOM 1246 OE2 GLU A 384 2.874 -3.688 12.323 1.00 1.39 O ATOM 0 H GLU A 384 2.436 -7.066 8.081 1.00 0.31 H new ATOM 0 HA GLU A 384 0.170 -6.591 9.911 1.00 0.35 H new ATOM 0 HB2 GLU A 384 2.346 -4.743 8.853 1.00 0.46 H new ATOM 0 HB3 GLU A 384 1.063 -4.268 9.948 1.00 0.46 H new ATOM 0 HG2 GLU A 384 1.913 -5.925 11.617 1.00 0.57 H new ATOM 0 HG3 GLU A 384 3.229 -6.318 10.528 1.00 0.57 H new ATOM 1253 N GLY A 385 -0.418 -6.607 7.060 1.00 0.27 N ATOM 1254 CA GLY A 385 -1.258 -6.235 5.935 1.00 0.27 C ATOM 1255 C GLY A 385 -2.583 -5.625 6.364 1.00 0.26 C ATOM 1256 O GLY A 385 -3.020 -4.620 5.804 1.00 0.27 O ATOM 0 H GLY A 385 -0.141 -7.588 7.076 1.00 0.27 H new ATOM 0 HA2 GLY A 385 -0.722 -5.523 5.307 1.00 0.27 H new ATOM 0 HA3 GLY A 385 -1.450 -7.117 5.324 1.00 0.27 H new ATOM 1260 N GLU A 386 -3.216 -6.225 7.366 1.00 0.30 N ATOM 1261 CA GLU A 386 -4.495 -5.733 7.871 1.00 0.35 C ATOM 1262 C GLU A 386 -4.309 -4.375 8.549 1.00 0.31 C ATOM 1263 O GLU A 386 -5.144 -3.480 8.417 1.00 0.36 O ATOM 1264 CB GLU A 386 -5.097 -6.745 8.850 1.00 0.44 C ATOM 1265 CG GLU A 386 -6.474 -6.364 9.373 1.00 0.53 C ATOM 1266 CD GLU A 386 -7.525 -6.293 8.284 1.00 1.40 C ATOM 1267 OE1 GLU A 386 -7.920 -7.354 7.757 1.00 1.77 O ATOM 1268 OE2 GLU A 386 -7.952 -5.171 7.934 1.00 2.28 O ATOM 0 H GLU A 386 -2.865 -7.054 7.846 1.00 0.30 H new ATOM 0 HA GLU A 386 -5.182 -5.608 7.034 1.00 0.35 H new ATOM 0 HB2 GLU A 386 -5.164 -7.715 8.357 1.00 0.44 H new ATOM 0 HB3 GLU A 386 -4.419 -6.863 9.696 1.00 0.44 H new ATOM 0 HG2 GLU A 386 -6.785 -7.091 10.123 1.00 0.53 H new ATOM 0 HG3 GLU A 386 -6.412 -5.397 9.873 1.00 0.53 H new ATOM 1275 N GLN A 387 -3.197 -4.230 9.256 1.00 0.29 N ATOM 1276 CA GLN A 387 -2.857 -2.981 9.920 1.00 0.30 C ATOM 1277 C GLN A 387 -2.738 -1.852 8.900 1.00 0.27 C ATOM 1278 O GLN A 387 -3.277 -0.762 9.100 1.00 0.31 O ATOM 1279 CB GLN A 387 -1.538 -3.109 10.696 1.00 0.35 C ATOM 1280 CG GLN A 387 -1.586 -4.029 11.916 1.00 0.45 C ATOM 1281 CD GLN A 387 -1.422 -5.508 11.587 1.00 1.13 C ATOM 1282 OE1 GLN A 387 -1.857 -5.994 10.546 1.00 2.27 O ATOM 1283 NE2 GLN A 387 -0.752 -6.228 12.466 1.00 0.83 N ATOM 0 H GLN A 387 -2.509 -4.971 9.385 1.00 0.29 H new ATOM 0 HA GLN A 387 -3.657 -2.751 10.624 1.00 0.30 H new ATOM 0 HB2 GLN A 387 -0.769 -3.475 10.016 1.00 0.35 H new ATOM 0 HB3 GLN A 387 -1.229 -2.116 11.022 1.00 0.35 H new ATOM 0 HG2 GLN A 387 -0.801 -3.733 12.612 1.00 0.45 H new ATOM 0 HG3 GLN A 387 -2.537 -3.885 12.429 1.00 0.45 H new ATOM 0 HE21 GLN A 387 -0.404 -5.794 13.321 1.00 0.83 H new ATOM 0 HE22 GLN A 387 -0.582 -7.218 12.291 1.00 0.83 H new ATOM 1292 N ILE A 388 -2.040 -2.127 7.802 1.00 0.24 N ATOM 1293 CA ILE A 388 -1.870 -1.152 6.732 1.00 0.23 C ATOM 1294 C ILE A 388 -3.220 -0.815 6.102 1.00 0.22 C ATOM 1295 O ILE A 388 -3.520 0.350 5.833 1.00 0.22 O ATOM 1296 CB ILE A 388 -0.906 -1.676 5.640 1.00 0.23 C ATOM 1297 CG1 ILE A 388 0.437 -2.073 6.260 1.00 0.27 C ATOM 1298 CG2 ILE A 388 -0.698 -0.624 4.557 1.00 0.24 C ATOM 1299 CD1 ILE A 388 1.391 -2.730 5.284 1.00 0.29 C ATOM 0 H ILE A 388 -1.581 -3.022 7.631 1.00 0.24 H new ATOM 0 HA ILE A 388 -1.438 -0.253 7.171 1.00 0.23 H new ATOM 0 HB ILE A 388 -1.354 -2.558 5.182 1.00 0.23 H new ATOM 0 HG12 ILE A 388 0.912 -1.184 6.675 1.00 0.27 H new ATOM 0 HG13 ILE A 388 0.256 -2.755 7.091 1.00 0.27 H new ATOM 0 HG21 ILE A 388 -0.017 -1.012 3.799 1.00 0.24 H new ATOM 0 HG22 ILE A 388 -1.656 -0.383 4.096 1.00 0.24 H new ATOM 0 HG23 ILE A 388 -0.272 0.276 5.001 1.00 0.24 H new ATOM 0 HD11 ILE A 388 2.319 -2.982 5.797 1.00 0.29 H new ATOM 0 HD12 ILE A 388 0.937 -3.638 4.887 1.00 0.29 H new ATOM 0 HD13 ILE A 388 1.604 -2.043 4.465 1.00 0.29 H new ATOM 1311 N ALA A 389 -4.036 -1.844 5.894 1.00 0.22 N ATOM 1312 CA ALA A 389 -5.369 -1.673 5.329 1.00 0.24 C ATOM 1313 C ALA A 389 -6.220 -0.756 6.199 1.00 0.22 C ATOM 1314 O ALA A 389 -6.830 0.195 5.705 1.00 0.23 O ATOM 1315 CB ALA A 389 -6.046 -3.024 5.170 1.00 0.28 C ATOM 0 H ALA A 389 -3.794 -2.811 6.110 1.00 0.22 H new ATOM 0 HA ALA A 389 -5.266 -1.208 4.348 1.00 0.24 H new ATOM 0 HB1 ALA A 389 -7.041 -2.885 4.747 1.00 0.28 H new ATOM 0 HB2 ALA A 389 -5.454 -3.652 4.504 1.00 0.28 H new ATOM 0 HB3 ALA A 389 -6.130 -3.506 6.144 1.00 0.28 H new ATOM 1321 N GLN A 390 -6.246 -1.045 7.497 1.00 0.22 N ATOM 1322 CA GLN A 390 -6.976 -0.229 8.463 1.00 0.25 C ATOM 1323 C GLN A 390 -6.477 1.211 8.439 1.00 0.21 C ATOM 1324 O GLN A 390 -7.259 2.158 8.540 1.00 0.23 O ATOM 1325 CB GLN A 390 -6.812 -0.807 9.872 1.00 0.34 C ATOM 1326 CG GLN A 390 -7.459 0.033 10.964 1.00 0.50 C ATOM 1327 CD GLN A 390 -7.226 -0.533 12.352 1.00 1.15 C ATOM 1328 OE1 GLN A 390 -6.213 -1.184 12.613 1.00 1.99 O ATOM 1329 NE2 GLN A 390 -8.156 -0.279 13.259 1.00 1.61 N ATOM 0 H GLN A 390 -5.765 -1.846 7.907 1.00 0.22 H new ATOM 0 HA GLN A 390 -8.031 -0.239 8.189 1.00 0.25 H new ATOM 0 HB2 GLN A 390 -7.242 -1.808 9.895 1.00 0.34 H new ATOM 0 HB3 GLN A 390 -5.749 -0.911 10.090 1.00 0.34 H new ATOM 0 HG2 GLN A 390 -7.064 1.048 10.919 1.00 0.50 H new ATOM 0 HG3 GLN A 390 -8.531 0.100 10.778 1.00 0.50 H new ATOM 0 HE21 GLN A 390 -8.981 0.264 13.005 1.00 1.61 H new ATOM 0 HE22 GLN A 390 -8.047 -0.626 14.212 1.00 1.61 H new ATOM 1338 N LEU A 391 -5.171 1.366 8.291 1.00 0.21 N ATOM 1339 CA LEU A 391 -4.554 2.680 8.295 1.00 0.22 C ATOM 1340 C LEU A 391 -5.027 3.499 7.095 1.00 0.20 C ATOM 1341 O LEU A 391 -5.487 4.630 7.253 1.00 0.22 O ATOM 1342 CB LEU A 391 -3.031 2.543 8.288 1.00 0.26 C ATOM 1343 CG LEU A 391 -2.261 3.826 8.591 1.00 0.27 C ATOM 1344 CD1 LEU A 391 -2.650 4.372 9.955 1.00 0.60 C ATOM 1345 CD2 LEU A 391 -0.766 3.567 8.530 1.00 0.63 C ATOM 0 H LEU A 391 -4.517 0.594 8.166 1.00 0.21 H new ATOM 0 HA LEU A 391 -4.853 3.205 9.202 1.00 0.22 H new ATOM 0 HB2 LEU A 391 -2.747 1.787 9.020 1.00 0.26 H new ATOM 0 HB3 LEU A 391 -2.720 2.174 7.311 1.00 0.26 H new ATOM 0 HG LEU A 391 -2.517 4.571 7.838 1.00 0.27 H new ATOM 0 HD11 LEU A 391 -2.091 5.286 10.154 1.00 0.60 H new ATOM 0 HD12 LEU A 391 -3.718 4.589 9.969 1.00 0.60 H new ATOM 0 HD13 LEU A 391 -2.420 3.632 10.722 1.00 0.60 H new ATOM 0 HD21 LEU A 391 -0.228 4.489 8.748 1.00 0.63 H new ATOM 0 HD22 LEU A 391 -0.498 2.808 9.265 1.00 0.63 H new ATOM 0 HD23 LEU A 391 -0.498 3.217 7.533 1.00 0.63 H new ATOM 1357 N ILE A 392 -4.938 2.911 5.904 1.00 0.18 N ATOM 1358 CA ILE A 392 -5.376 3.584 4.683 1.00 0.17 C ATOM 1359 C ILE A 392 -6.867 3.906 4.754 1.00 0.17 C ATOM 1360 O ILE A 392 -7.280 5.039 4.501 1.00 0.19 O ATOM 1361 CB ILE A 392 -5.103 2.729 3.423 1.00 0.17 C ATOM 1362 CG1 ILE A 392 -3.614 2.388 3.323 1.00 0.19 C ATOM 1363 CG2 ILE A 392 -5.569 3.461 2.165 1.00 0.19 C ATOM 1364 CD1 ILE A 392 -3.270 1.481 2.159 1.00 0.21 C ATOM 0 H ILE A 392 -4.567 1.972 5.758 1.00 0.18 H new ATOM 0 HA ILE A 392 -4.801 4.507 4.605 1.00 0.17 H new ATOM 0 HB ILE A 392 -5.667 1.800 3.508 1.00 0.17 H new ATOM 0 HG12 ILE A 392 -3.045 3.313 3.231 1.00 0.19 H new ATOM 0 HG13 ILE A 392 -3.298 1.910 4.250 1.00 0.19 H new ATOM 0 HG21 ILE A 392 -5.368 2.844 1.289 1.00 0.19 H new ATOM 0 HG22 ILE A 392 -6.639 3.657 2.233 1.00 0.19 H new ATOM 0 HG23 ILE A 392 -5.032 4.405 2.074 1.00 0.19 H new ATOM 0 HD11 ILE A 392 -2.198 1.285 2.155 1.00 0.21 H new ATOM 0 HD12 ILE A 392 -3.811 0.540 2.259 1.00 0.21 H new ATOM 0 HD13 ILE A 392 -3.554 1.965 1.224 1.00 0.21 H new ATOM 1376 N ALA A 393 -7.666 2.907 5.126 1.00 0.18 N ATOM 1377 CA ALA A 393 -9.111 3.076 5.223 1.00 0.21 C ATOM 1378 C ALA A 393 -9.469 4.150 6.248 1.00 0.23 C ATOM 1379 O ALA A 393 -10.447 4.878 6.078 1.00 0.29 O ATOM 1380 CB ALA A 393 -9.779 1.754 5.581 1.00 0.24 C ATOM 0 H ALA A 393 -7.335 1.972 5.365 1.00 0.18 H new ATOM 0 HA ALA A 393 -9.480 3.401 4.250 1.00 0.21 H new ATOM 0 HB1 ALA A 393 -10.857 1.898 5.649 1.00 0.24 H new ATOM 0 HB2 ALA A 393 -9.560 1.015 4.810 1.00 0.24 H new ATOM 0 HB3 ALA A 393 -9.398 1.402 6.540 1.00 0.24 H new ATOM 1386 N GLY A 394 -8.666 4.246 7.303 1.00 0.23 N ATOM 1387 CA GLY A 394 -8.884 5.256 8.322 1.00 0.27 C ATOM 1388 C GLY A 394 -8.734 6.663 7.782 1.00 0.28 C ATOM 1389 O GLY A 394 -9.586 7.521 8.020 1.00 0.35 O ATOM 0 H GLY A 394 -7.864 3.639 7.471 1.00 0.23 H new ATOM 0 HA2 GLY A 394 -9.883 5.135 8.741 1.00 0.27 H new ATOM 0 HA3 GLY A 394 -8.176 5.105 9.137 1.00 0.27 H new ATOM 1393 N TYR A 395 -7.653 6.901 7.043 1.00 0.27 N ATOM 1394 CA TYR A 395 -7.412 8.210 6.440 1.00 0.30 C ATOM 1395 C TYR A 395 -8.450 8.501 5.364 1.00 0.30 C ATOM 1396 O TYR A 395 -8.945 9.622 5.248 1.00 0.36 O ATOM 1397 CB TYR A 395 -6.009 8.280 5.840 1.00 0.31 C ATOM 1398 CG TYR A 395 -4.903 8.166 6.861 1.00 0.37 C ATOM 1399 CD1 TYR A 395 -4.935 8.910 8.034 1.00 0.48 C ATOM 1400 CD2 TYR A 395 -3.823 7.321 6.650 1.00 0.41 C ATOM 1401 CE1 TYR A 395 -3.921 8.813 8.966 1.00 0.58 C ATOM 1402 CE2 TYR A 395 -2.804 7.221 7.577 1.00 0.51 C ATOM 1403 CZ TYR A 395 -2.858 7.968 8.731 1.00 0.58 C ATOM 1404 OH TYR A 395 -1.849 7.867 9.658 1.00 0.70 O ATOM 0 H TYR A 395 -6.932 6.207 6.848 1.00 0.27 H new ATOM 0 HA TYR A 395 -7.494 8.963 7.224 1.00 0.30 H new ATOM 0 HB2 TYR A 395 -5.897 7.481 5.107 1.00 0.31 H new ATOM 0 HB3 TYR A 395 -5.900 9.223 5.304 1.00 0.31 H new ATOM 0 HD1 TYR A 395 -5.766 9.574 8.220 1.00 0.48 H new ATOM 0 HD2 TYR A 395 -3.778 6.732 5.746 1.00 0.41 H new ATOM 0 HE1 TYR A 395 -3.961 9.396 9.874 1.00 0.58 H new ATOM 0 HE2 TYR A 395 -1.969 6.560 7.397 1.00 0.51 H new ATOM 0 HH TYR A 395 -1.177 7.228 9.341 1.00 0.70 H new ATOM 1414 N ILE A 396 -8.774 7.477 4.588 1.00 0.27 N ATOM 1415 CA ILE A 396 -9.801 7.574 3.560 1.00 0.31 C ATOM 1416 C ILE A 396 -11.143 7.977 4.167 1.00 0.37 C ATOM 1417 O ILE A 396 -11.859 8.810 3.611 1.00 0.45 O ATOM 1418 CB ILE A 396 -9.925 6.236 2.798 1.00 0.33 C ATOM 1419 CG1 ILE A 396 -8.753 6.089 1.825 1.00 0.34 C ATOM 1420 CG2 ILE A 396 -11.258 6.124 2.067 1.00 0.38 C ATOM 1421 CD1 ILE A 396 -8.668 4.726 1.184 1.00 0.42 C ATOM 0 H ILE A 396 -8.335 6.559 4.652 1.00 0.27 H new ATOM 0 HA ILE A 396 -9.507 8.349 2.853 1.00 0.31 H new ATOM 0 HB ILE A 396 -9.892 5.423 3.524 1.00 0.33 H new ATOM 0 HG12 ILE A 396 -8.843 6.844 1.044 1.00 0.34 H new ATOM 0 HG13 ILE A 396 -7.823 6.290 2.357 1.00 0.34 H new ATOM 0 HG21 ILE A 396 -11.307 5.169 1.543 1.00 0.38 H new ATOM 0 HG22 ILE A 396 -12.074 6.185 2.787 1.00 0.38 H new ATOM 0 HG23 ILE A 396 -11.348 6.938 1.347 1.00 0.38 H new ATOM 0 HD11 ILE A 396 -7.814 4.695 0.507 1.00 0.42 H new ATOM 0 HD12 ILE A 396 -8.546 3.967 1.957 1.00 0.42 H new ATOM 0 HD13 ILE A 396 -9.582 4.530 0.624 1.00 0.42 H new ATOM 1433 N ASP A 397 -11.457 7.406 5.321 1.00 0.38 N ATOM 1434 CA ASP A 397 -12.682 7.742 6.043 1.00 0.47 C ATOM 1435 C ASP A 397 -12.726 9.227 6.386 1.00 0.51 C ATOM 1436 O ASP A 397 -13.787 9.847 6.365 1.00 0.63 O ATOM 1437 CB ASP A 397 -12.788 6.912 7.322 1.00 0.52 C ATOM 1438 CG ASP A 397 -13.960 7.328 8.186 1.00 0.69 C ATOM 1439 OD1 ASP A 397 -15.104 6.943 7.866 1.00 0.73 O ATOM 1440 OD2 ASP A 397 -13.743 8.045 9.186 1.00 0.99 O ATOM 0 H ASP A 397 -10.879 6.704 5.782 1.00 0.38 H new ATOM 0 HA ASP A 397 -13.528 7.512 5.395 1.00 0.47 H new ATOM 0 HB2 ASP A 397 -12.889 5.859 7.061 1.00 0.52 H new ATOM 0 HB3 ASP A 397 -11.865 7.012 7.894 1.00 0.52 H new ATOM 1445 N ILE A 398 -11.563 9.788 6.698 1.00 0.47 N ATOM 1446 CA ILE A 398 -11.454 11.206 7.019 1.00 0.53 C ATOM 1447 C ILE A 398 -11.740 12.060 5.784 1.00 0.55 C ATOM 1448 O ILE A 398 -12.395 13.102 5.870 1.00 0.65 O ATOM 1449 CB ILE A 398 -10.050 11.550 7.571 1.00 0.54 C ATOM 1450 CG1 ILE A 398 -9.757 10.722 8.826 1.00 0.57 C ATOM 1451 CG2 ILE A 398 -9.937 13.039 7.877 1.00 0.62 C ATOM 1452 CD1 ILE A 398 -8.366 10.935 9.387 1.00 0.81 C ATOM 0 H ILE A 398 -10.679 9.280 6.735 1.00 0.47 H new ATOM 0 HA ILE A 398 -12.194 11.426 7.789 1.00 0.53 H new ATOM 0 HB ILE A 398 -9.312 11.304 6.808 1.00 0.54 H new ATOM 0 HG12 ILE A 398 -10.490 10.970 9.593 1.00 0.57 H new ATOM 0 HG13 ILE A 398 -9.886 9.665 8.591 1.00 0.57 H new ATOM 0 HG21 ILE A 398 -8.941 13.256 8.264 1.00 0.62 H new ATOM 0 HG22 ILE A 398 -10.105 13.612 6.965 1.00 0.62 H new ATOM 0 HG23 ILE A 398 -10.684 13.315 8.622 1.00 0.62 H new ATOM 0 HD11 ILE A 398 -8.233 10.316 10.274 1.00 0.81 H new ATOM 0 HD12 ILE A 398 -7.625 10.659 8.637 1.00 0.81 H new ATOM 0 HD13 ILE A 398 -8.238 11.984 9.654 1.00 0.81 H new ATOM 1464 N ILE A 399 -11.258 11.603 4.634 1.00 0.50 N ATOM 1465 CA ILE A 399 -11.453 12.320 3.378 1.00 0.52 C ATOM 1466 C ILE A 399 -12.913 12.242 2.930 1.00 0.59 C ATOM 1467 O ILE A 399 -13.447 13.186 2.350 1.00 0.72 O ATOM 1468 CB ILE A 399 -10.541 11.761 2.261 1.00 0.47 C ATOM 1469 CG1 ILE A 399 -9.079 11.761 2.717 1.00 0.47 C ATOM 1470 CG2 ILE A 399 -10.700 12.577 0.983 1.00 0.50 C ATOM 1471 CD1 ILE A 399 -8.125 11.141 1.716 1.00 0.48 C ATOM 0 H ILE A 399 -10.728 10.736 4.545 1.00 0.50 H new ATOM 0 HA ILE A 399 -11.186 13.362 3.556 1.00 0.52 H new ATOM 0 HB ILE A 399 -10.840 10.734 2.053 1.00 0.47 H new ATOM 0 HG12 ILE A 399 -8.769 12.788 2.912 1.00 0.47 H new ATOM 0 HG13 ILE A 399 -9.003 11.220 3.660 1.00 0.47 H new ATOM 0 HG21 ILE A 399 -10.051 12.169 0.208 1.00 0.50 H new ATOM 0 HG22 ILE A 399 -11.737 12.532 0.649 1.00 0.50 H new ATOM 0 HG23 ILE A 399 -10.426 13.614 1.177 1.00 0.50 H new ATOM 0 HD11 ILE A 399 -7.109 11.178 2.110 1.00 0.48 H new ATOM 0 HD12 ILE A 399 -8.408 10.103 1.538 1.00 0.48 H new ATOM 0 HD13 ILE A 399 -8.171 11.695 0.778 1.00 0.48 H new ATOM 1603 N TRP B 374 -10.438 -8.176 0.436 1.00 1.08 N ATOM 1604 CA TRP B 374 -10.298 -7.324 -0.731 1.00 0.61 C ATOM 1605 C TRP B 374 -11.147 -6.090 -0.544 1.00 0.55 C ATOM 1606 O TRP B 374 -12.360 -6.113 -0.747 1.00 0.90 O ATOM 1607 CB TRP B 374 -10.680 -8.064 -2.014 1.00 0.88 C ATOM 1608 CG TRP B 374 -9.580 -8.942 -2.531 1.00 0.97 C ATOM 1609 CD1 TRP B 374 -9.382 -10.262 -2.249 1.00 1.38 C ATOM 1610 CD2 TRP B 374 -8.521 -8.555 -3.417 1.00 0.81 C ATOM 1611 NE1 TRP B 374 -8.267 -10.722 -2.906 1.00 1.42 N ATOM 1612 CE2 TRP B 374 -7.722 -9.693 -3.631 1.00 1.02 C ATOM 1613 CE3 TRP B 374 -8.170 -7.358 -4.052 1.00 0.85 C ATOM 1614 CZ2 TRP B 374 -6.597 -9.670 -4.453 1.00 0.98 C ATOM 1615 CZ3 TRP B 374 -7.055 -7.338 -4.866 1.00 0.97 C ATOM 1616 CH2 TRP B 374 -6.279 -8.487 -5.062 1.00 0.88 C ATOM 0 HA TRP B 374 -9.253 -7.033 -0.833 1.00 0.61 H new ATOM 0 HB2 TRP B 374 -11.565 -8.672 -1.827 1.00 0.88 H new ATOM 0 HB3 TRP B 374 -10.948 -7.337 -2.781 1.00 0.88 H new ATOM 0 HD1 TRP B 374 -10.010 -10.858 -1.604 1.00 1.38 H new ATOM 0 HE1 TRP B 374 -7.903 -11.674 -2.862 1.00 1.42 H new ATOM 0 HE3 TRP B 374 -8.761 -6.466 -3.908 1.00 0.85 H new ATOM 0 HZ2 TRP B 374 -5.997 -10.555 -4.604 1.00 0.98 H new ATOM 0 HZ3 TRP B 374 -6.776 -6.419 -5.361 1.00 0.97 H new ATOM 0 HH2 TRP B 374 -5.413 -8.438 -5.706 1.00 0.88 H new ATOM 1627 N VAL B 375 -10.496 -5.018 -0.144 1.00 0.40 N ATOM 1628 CA VAL B 375 -11.196 -3.807 0.244 1.00 0.38 C ATOM 1629 C VAL B 375 -11.107 -2.770 -0.865 1.00 0.44 C ATOM 1630 O VAL B 375 -10.014 -2.403 -1.303 1.00 0.53 O ATOM 1631 CB VAL B 375 -10.652 -3.211 1.565 1.00 0.48 C ATOM 1632 CG1 VAL B 375 -11.487 -2.007 1.990 1.00 0.84 C ATOM 1633 CG2 VAL B 375 -10.636 -4.260 2.677 1.00 1.07 C ATOM 0 H VAL B 375 -9.480 -4.959 -0.078 1.00 0.40 H new ATOM 0 HA VAL B 375 -12.238 -4.079 0.411 1.00 0.38 H new ATOM 0 HB VAL B 375 -9.627 -2.886 1.389 1.00 0.48 H new ATOM 0 HG11 VAL B 375 -11.091 -1.600 2.920 1.00 0.84 H new ATOM 0 HG12 VAL B 375 -11.446 -1.243 1.213 1.00 0.84 H new ATOM 0 HG13 VAL B 375 -12.521 -2.316 2.140 1.00 0.84 H new ATOM 0 HG21 VAL B 375 -10.249 -3.813 3.593 1.00 1.07 H new ATOM 0 HG22 VAL B 375 -11.649 -4.623 2.850 1.00 1.07 H new ATOM 0 HG23 VAL B 375 -9.998 -5.093 2.382 1.00 1.07 H new ATOM 1643 N GLU B 376 -12.261 -2.326 -1.330 1.00 0.51 N ATOM 1644 CA GLU B 376 -12.330 -1.361 -2.410 1.00 0.63 C ATOM 1645 C GLU B 376 -12.695 0.014 -1.862 1.00 0.52 C ATOM 1646 O GLU B 376 -13.520 0.135 -0.956 1.00 0.61 O ATOM 1647 CB GLU B 376 -13.345 -1.833 -3.453 1.00 0.86 C ATOM 1648 CG GLU B 376 -13.404 -0.975 -4.706 1.00 1.43 C ATOM 1649 CD GLU B 376 -14.298 -1.578 -5.766 1.00 1.69 C ATOM 1650 OE1 GLU B 376 -15.512 -1.298 -5.753 1.00 2.28 O ATOM 1651 OE2 GLU B 376 -13.789 -2.347 -6.610 1.00 2.06 O ATOM 0 H GLU B 376 -13.169 -2.622 -0.972 1.00 0.51 H new ATOM 0 HA GLU B 376 -11.356 -1.279 -2.891 1.00 0.63 H new ATOM 0 HB2 GLU B 376 -13.104 -2.857 -3.740 1.00 0.86 H new ATOM 0 HB3 GLU B 376 -14.334 -1.855 -2.996 1.00 0.86 H new ATOM 0 HG2 GLU B 376 -13.769 0.019 -4.447 1.00 1.43 H new ATOM 0 HG3 GLU B 376 -12.398 -0.851 -5.108 1.00 1.43 H new ATOM 1658 N ASN B 377 -12.062 1.040 -2.406 1.00 0.54 N ATOM 1659 CA ASN B 377 -12.240 2.402 -1.922 1.00 0.58 C ATOM 1660 C ASN B 377 -13.287 3.143 -2.743 1.00 0.50 C ATOM 1661 O ASN B 377 -13.613 2.741 -3.861 1.00 0.65 O ATOM 1662 CB ASN B 377 -10.912 3.158 -1.968 1.00 0.83 C ATOM 1663 CG ASN B 377 -10.361 3.304 -3.373 1.00 0.88 C ATOM 1664 OD1 ASN B 377 -10.632 2.490 -4.254 1.00 1.83 O ATOM 1665 ND2 ASN B 377 -9.564 4.336 -3.592 1.00 1.23 N ATOM 0 H ASN B 377 -11.415 0.956 -3.190 1.00 0.54 H new ATOM 0 HA ASN B 377 -12.587 2.350 -0.890 1.00 0.58 H new ATOM 0 HB2 ASN B 377 -11.049 4.148 -1.533 1.00 0.83 H new ATOM 0 HB3 ASN B 377 -10.182 2.636 -1.350 1.00 0.83 H new ATOM 0 HD21 ASN B 377 -9.153 4.476 -4.515 1.00 1.23 H new ATOM 0 HD22 ASN B 377 -9.360 4.992 -2.838 1.00 1.23 H new ATOM 1672 N GLU B 378 -13.815 4.227 -2.186 1.00 0.43 N ATOM 1673 CA GLU B 378 -14.838 5.008 -2.866 1.00 0.51 C ATOM 1674 C GLU B 378 -14.318 6.377 -3.287 1.00 0.44 C ATOM 1675 O GLU B 378 -15.096 7.284 -3.587 1.00 0.53 O ATOM 1676 CB GLU B 378 -16.076 5.156 -1.973 1.00 0.71 C ATOM 1677 CG GLU B 378 -16.704 3.828 -1.567 1.00 0.87 C ATOM 1678 CD GLU B 378 -17.829 3.991 -0.568 1.00 1.05 C ATOM 1679 OE1 GLU B 378 -17.549 4.294 0.612 1.00 1.39 O ATOM 1680 OE2 GLU B 378 -19.004 3.842 -0.959 1.00 1.88 O ATOM 0 H GLU B 378 -13.551 4.583 -1.267 1.00 0.43 H new ATOM 0 HA GLU B 378 -15.116 4.470 -3.773 1.00 0.51 H new ATOM 0 HB2 GLU B 378 -15.800 5.707 -1.074 1.00 0.71 H new ATOM 0 HB3 GLU B 378 -16.821 5.754 -2.497 1.00 0.71 H new ATOM 0 HG2 GLU B 378 -17.084 3.324 -2.456 1.00 0.87 H new ATOM 0 HG3 GLU B 378 -15.936 3.184 -1.140 1.00 0.87 H new ATOM 1687 N ILE B 379 -13.004 6.512 -3.338 1.00 0.36 N ATOM 1688 CA ILE B 379 -12.390 7.741 -3.841 1.00 0.38 C ATOM 1689 C ILE B 379 -11.479 7.454 -5.030 1.00 0.48 C ATOM 1690 O ILE B 379 -10.519 8.181 -5.284 1.00 1.17 O ATOM 1691 CB ILE B 379 -11.580 8.507 -2.765 1.00 0.38 C ATOM 1692 CG1 ILE B 379 -10.451 7.639 -2.176 1.00 0.37 C ATOM 1693 CG2 ILE B 379 -12.502 9.005 -1.652 1.00 0.43 C ATOM 1694 CD1 ILE B 379 -9.615 8.342 -1.112 1.00 0.44 C ATOM 0 H ILE B 379 -12.341 5.795 -3.041 1.00 0.36 H new ATOM 0 HA ILE B 379 -13.222 8.375 -4.148 1.00 0.38 H new ATOM 0 HB ILE B 379 -11.119 9.366 -3.253 1.00 0.38 H new ATOM 0 HG12 ILE B 379 -10.888 6.739 -1.743 1.00 0.37 H new ATOM 0 HG13 ILE B 379 -9.795 7.318 -2.985 1.00 0.37 H new ATOM 0 HG21 ILE B 379 -11.915 9.540 -0.906 1.00 0.43 H new ATOM 0 HG22 ILE B 379 -13.252 9.675 -2.073 1.00 0.43 H new ATOM 0 HG23 ILE B 379 -12.998 8.155 -1.183 1.00 0.43 H new ATOM 0 HD11 ILE B 379 -8.843 7.664 -0.749 1.00 0.44 H new ATOM 0 HD12 ILE B 379 -9.147 9.227 -1.543 1.00 0.44 H new ATOM 0 HD13 ILE B 379 -10.257 8.639 -0.282 1.00 0.44 H new ATOM 1706 N TYR B 380 -11.801 6.407 -5.771 1.00 0.45 N ATOM 1707 CA TYR B 380 -11.022 6.052 -6.951 1.00 0.42 C ATOM 1708 C TYR B 380 -11.494 6.859 -8.150 1.00 0.46 C ATOM 1709 O TYR B 380 -12.569 6.611 -8.701 1.00 0.58 O ATOM 1710 CB TYR B 380 -11.118 4.550 -7.247 1.00 0.48 C ATOM 1711 CG TYR B 380 -10.366 4.125 -8.495 1.00 0.45 C ATOM 1712 CD1 TYR B 380 -8.990 4.287 -8.594 1.00 0.49 C ATOM 1713 CD2 TYR B 380 -11.036 3.554 -9.567 1.00 0.54 C ATOM 1714 CE1 TYR B 380 -8.307 3.890 -9.725 1.00 0.51 C ATOM 1715 CE2 TYR B 380 -10.360 3.158 -10.702 1.00 0.54 C ATOM 1716 CZ TYR B 380 -8.997 3.328 -10.777 1.00 0.47 C ATOM 1717 OH TYR B 380 -8.319 2.921 -11.900 1.00 0.52 O ATOM 0 H TYR B 380 -12.591 5.790 -5.580 1.00 0.45 H new ATOM 0 HA TYR B 380 -9.977 6.288 -6.753 1.00 0.42 H new ATOM 0 HB2 TYR B 380 -10.730 3.995 -6.393 1.00 0.48 H new ATOM 0 HB3 TYR B 380 -12.168 4.276 -7.355 1.00 0.48 H new ATOM 0 HD1 TYR B 380 -8.446 4.731 -7.773 1.00 0.49 H new ATOM 0 HD2 TYR B 380 -12.106 3.417 -9.512 1.00 0.54 H new ATOM 0 HE1 TYR B 380 -7.236 4.019 -9.786 1.00 0.51 H new ATOM 0 HE2 TYR B 380 -10.898 2.717 -11.528 1.00 0.54 H new ATOM 0 HH TYR B 380 -8.958 2.741 -12.621 1.00 0.52 H new ATOM 1727 N TYR B 381 -10.700 7.844 -8.529 1.00 0.55 N ATOM 1728 CA TYR B 381 -10.997 8.677 -9.668 1.00 0.70 C ATOM 1729 C TYR B 381 -10.540 8.003 -10.957 1.00 0.79 C ATOM 1730 O TYR B 381 -11.363 7.321 -11.602 1.00 1.31 O ATOM 1731 CB TYR B 381 -10.300 10.021 -9.496 1.00 1.01 C ATOM 1732 CG TYR B 381 -11.006 10.973 -8.550 1.00 1.28 C ATOM 1733 CD1 TYR B 381 -11.303 10.603 -7.244 1.00 1.73 C ATOM 1734 CD2 TYR B 381 -11.374 12.244 -8.970 1.00 1.66 C ATOM 1735 CE1 TYR B 381 -11.947 11.472 -6.383 1.00 2.35 C ATOM 1736 CE2 TYR B 381 -12.016 13.119 -8.116 1.00 2.20 C ATOM 1737 CZ TYR B 381 -12.300 12.731 -6.824 1.00 2.50 C ATOM 1738 OH TYR B 381 -12.945 13.603 -5.974 1.00 3.20 O ATOM 1739 OXT TYR B 381 -9.353 8.144 -11.314 1.00 1.47 O ATOM 0 H TYR B 381 -9.831 8.085 -8.052 1.00 0.55 H new ATOM 0 HA TYR B 381 -12.074 8.831 -9.732 1.00 0.70 H new ATOM 0 HB2 TYR B 381 -9.288 9.848 -9.130 1.00 1.01 H new ATOM 0 HB3 TYR B 381 -10.209 10.498 -10.472 1.00 1.01 H new ATOM 0 HD1 TYR B 381 -11.026 9.619 -6.895 1.00 1.73 H new ATOM 0 HD2 TYR B 381 -11.155 12.554 -9.981 1.00 1.66 H new ATOM 0 HE1 TYR B 381 -12.172 11.167 -5.372 1.00 2.35 H new ATOM 0 HE2 TYR B 381 -12.295 14.104 -8.459 1.00 2.20 H new ATOM 0 HH TYR B 381 -13.120 14.446 -6.442 1.00 3.20 H new