USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=24 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 311 SER OG : rot 25:sc= 0.0433 USER MOD Set 1.2: A 395 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 316 LYS NZ :NH3+ -171:sc= 1.19 (180deg=0) USER MOD Set 2.2: A 381 GLN : amide:sc= 0.568 K(o=1.8,f=-6.5!) USER MOD Set 3.1: A 367 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 379 SER OG : rot 180:sc= -0.29 USER MOD Set 4.1: A 362 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 365 SER OG : rot 180:sc= 0 USER MOD Single : A 333 THR OG1 : rot -59:sc= 2.02 USER MOD Single : A 334 LYS NZ :NH3+ -163:sc= 1.22 (180deg=0.902) USER MOD Single : A 336 CYS SG : rot -161:sc= -1.7! USER MOD Single : A 338 MET CE :methyl 160:sc= -0.123 (180deg=-0.586) USER MOD Single : A 343 LYS NZ :NH3+ 159:sc= -0.0506 (180deg=-0.392) USER MOD Single : A 344 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 345 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1) USER MOD Single : A 349 GLN : amide:sc= 0.528 K(o=0.53,f=-4.7!) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD Single : A 354 THR OG1 : rot 141:sc= 1.48 USER MOD Single : A 355 ASN : amide:sc= -0.204 K(o=-0.2,f=-0.74) USER MOD Single : A 357 LYS NZ :NH3+ 169:sc= -0.0047 (180deg=-0.11) USER MOD Single : A 364 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 373 TYR OH : rot 180:sc= 0 USER MOD Single : A 374 GLN : amide:sc= -0.803! C(o=-0.8!,f=-2.5!) USER MOD Single : A 377 TYR OH : rot 180:sc= 0 USER MOD Single : A 378 TYR OH : rot 26:sc= 1.23 USER MOD Single : A 382 THR OG1 : rot 180:sc= 0.345 USER MOD Single : A 383 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 387 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.0031) USER MOD Single : A 390 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 377 ASN : amide:sc= -2.68! C(o=-2.7!,f=-10!) USER MOD Single : B 380 TYR OH : rot 180:sc= 0.948 USER MOD Single : B 381 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N SER A 311 4.001 6.846 10.070 1.00 0.71 N ATOM 27 CA SER A 311 3.350 5.562 9.892 1.00 0.41 C ATOM 28 C SER A 311 4.051 4.779 8.788 1.00 0.34 C ATOM 29 O SER A 311 3.680 4.860 7.615 1.00 0.47 O ATOM 30 CB SER A 311 1.867 5.753 9.566 1.00 0.59 C ATOM 31 OG SER A 311 1.201 6.434 10.618 1.00 1.06 O ATOM 0 HA SER A 311 3.419 4.996 10.821 1.00 0.41 H new ATOM 0 HB2 SER A 311 1.764 6.318 8.639 1.00 0.59 H new ATOM 0 HB3 SER A 311 1.399 4.783 9.402 1.00 0.59 H new ATOM 0 HG SER A 311 1.848 6.972 11.121 1.00 1.06 H new ATOM 37 N PHE A 312 5.087 4.048 9.176 1.00 0.29 N ATOM 38 CA PHE A 312 5.886 3.288 8.233 1.00 0.27 C ATOM 39 C PHE A 312 5.760 1.798 8.502 1.00 0.26 C ATOM 40 O PHE A 312 5.699 1.363 9.654 1.00 0.34 O ATOM 41 CB PHE A 312 7.356 3.710 8.309 1.00 0.31 C ATOM 42 CG PHE A 312 7.617 5.081 7.754 1.00 0.34 C ATOM 43 CD1 PHE A 312 7.524 6.204 8.560 1.00 0.45 C ATOM 44 CD2 PHE A 312 7.955 5.246 6.420 1.00 0.33 C ATOM 45 CE1 PHE A 312 7.762 7.464 8.047 1.00 0.52 C ATOM 46 CE2 PHE A 312 8.194 6.503 5.902 1.00 0.38 C ATOM 47 CZ PHE A 312 8.098 7.613 6.715 1.00 0.47 C ATOM 0 H PHE A 312 5.393 3.967 10.146 1.00 0.29 H new ATOM 0 HA PHE A 312 5.513 3.495 7.230 1.00 0.27 H new ATOM 0 HB2 PHE A 312 7.681 3.680 9.349 1.00 0.31 H new ATOM 0 HB3 PHE A 312 7.962 2.985 7.765 1.00 0.31 H new ATOM 0 HD1 PHE A 312 7.262 6.093 9.602 1.00 0.45 H new ATOM 0 HD2 PHE A 312 8.032 4.381 5.778 1.00 0.33 H new ATOM 0 HE1 PHE A 312 7.686 8.331 8.686 1.00 0.52 H new ATOM 0 HE2 PHE A 312 8.456 6.617 4.861 1.00 0.38 H new ATOM 0 HZ PHE A 312 8.285 8.597 6.311 1.00 0.47 H new ATOM 57 N PHE A 313 5.706 1.027 7.434 1.00 0.24 N ATOM 58 CA PHE A 313 5.617 -0.416 7.536 1.00 0.26 C ATOM 59 C PHE A 313 6.753 -1.062 6.759 1.00 0.26 C ATOM 60 O PHE A 313 6.914 -0.802 5.565 1.00 0.26 O ATOM 61 CB PHE A 313 4.271 -0.903 6.994 1.00 0.28 C ATOM 62 CG PHE A 313 3.083 -0.289 7.678 1.00 0.30 C ATOM 63 CD1 PHE A 313 2.585 -0.835 8.847 1.00 0.34 C ATOM 64 CD2 PHE A 313 2.462 0.831 7.150 1.00 0.32 C ATOM 65 CE1 PHE A 313 1.493 -0.277 9.481 1.00 0.40 C ATOM 66 CE2 PHE A 313 1.370 1.394 7.778 1.00 0.37 C ATOM 67 CZ PHE A 313 0.884 0.838 8.946 1.00 0.41 C ATOM 0 H PHE A 313 5.722 1.380 6.477 1.00 0.24 H new ATOM 0 HA PHE A 313 5.696 -0.699 8.586 1.00 0.26 H new ATOM 0 HB2 PHE A 313 4.218 -0.683 5.928 1.00 0.28 H new ATOM 0 HB3 PHE A 313 4.219 -1.987 7.099 1.00 0.28 H new ATOM 0 HD1 PHE A 313 3.057 -1.710 9.270 1.00 0.34 H new ATOM 0 HD2 PHE A 313 2.837 1.268 6.236 1.00 0.32 H new ATOM 0 HE1 PHE A 313 1.117 -0.713 10.394 1.00 0.40 H new ATOM 0 HE2 PHE A 313 0.896 2.268 7.357 1.00 0.37 H new ATOM 0 HZ PHE A 313 0.029 1.276 9.439 1.00 0.41 H new ATOM 77 N LEU A 314 7.552 -1.875 7.437 1.00 0.36 N ATOM 78 CA LEU A 314 8.628 -2.601 6.782 1.00 0.38 C ATOM 79 C LEU A 314 8.058 -3.736 5.944 1.00 0.37 C ATOM 80 O LEU A 314 7.694 -4.792 6.465 1.00 0.50 O ATOM 81 CB LEU A 314 9.626 -3.149 7.805 1.00 0.51 C ATOM 82 CG LEU A 314 10.799 -3.933 7.212 1.00 0.57 C ATOM 83 CD1 LEU A 314 11.610 -3.056 6.272 1.00 0.54 C ATOM 84 CD2 LEU A 314 11.683 -4.488 8.317 1.00 0.72 C ATOM 0 H LEU A 314 7.474 -2.047 8.439 1.00 0.36 H new ATOM 0 HA LEU A 314 9.159 -1.907 6.130 1.00 0.38 H new ATOM 0 HB2 LEU A 314 10.022 -2.316 8.385 1.00 0.51 H new ATOM 0 HB3 LEU A 314 9.091 -3.796 8.501 1.00 0.51 H new ATOM 0 HG LEU A 314 10.397 -4.769 6.640 1.00 0.57 H new ATOM 0 HD11 LEU A 314 12.439 -3.632 5.861 1.00 0.54 H new ATOM 0 HD12 LEU A 314 10.973 -2.707 5.459 1.00 0.54 H new ATOM 0 HD13 LEU A 314 12.001 -2.199 6.820 1.00 0.54 H new ATOM 0 HD21 LEU A 314 12.512 -5.042 7.876 1.00 0.72 H new ATOM 0 HD22 LEU A 314 12.074 -3.666 8.917 1.00 0.72 H new ATOM 0 HD23 LEU A 314 11.098 -5.154 8.951 1.00 0.72 H new ATOM 96 N VAL A 315 7.958 -3.497 4.651 1.00 0.26 N ATOM 97 CA VAL A 315 7.420 -4.477 3.730 1.00 0.26 C ATOM 98 C VAL A 315 8.526 -5.039 2.848 1.00 0.24 C ATOM 99 O VAL A 315 9.633 -4.503 2.806 1.00 0.27 O ATOM 100 CB VAL A 315 6.309 -3.869 2.843 1.00 0.26 C ATOM 101 CG1 VAL A 315 5.154 -3.375 3.698 1.00 0.30 C ATOM 102 CG2 VAL A 315 6.855 -2.738 1.984 1.00 0.23 C ATOM 0 H VAL A 315 8.246 -2.623 4.212 1.00 0.26 H new ATOM 0 HA VAL A 315 6.985 -5.281 4.324 1.00 0.26 H new ATOM 0 HB VAL A 315 5.941 -4.652 2.180 1.00 0.26 H new ATOM 0 HG11 VAL A 315 4.382 -2.950 3.056 1.00 0.30 H new ATOM 0 HG12 VAL A 315 4.738 -4.208 4.264 1.00 0.30 H new ATOM 0 HG13 VAL A 315 5.513 -2.611 4.388 1.00 0.30 H new ATOM 0 HG21 VAL A 315 6.053 -2.328 1.370 1.00 0.23 H new ATOM 0 HG22 VAL A 315 7.257 -1.955 2.626 1.00 0.23 H new ATOM 0 HG23 VAL A 315 7.647 -3.120 1.339 1.00 0.23 H new ATOM 112 N LYS A 316 8.233 -6.133 2.173 1.00 0.25 N ATOM 113 CA LYS A 316 9.174 -6.740 1.248 1.00 0.28 C ATOM 114 C LYS A 316 8.596 -6.735 -0.165 1.00 0.28 C ATOM 115 O LYS A 316 7.629 -7.443 -0.447 1.00 0.28 O ATOM 116 CB LYS A 316 9.491 -8.168 1.689 1.00 0.34 C ATOM 117 CG LYS A 316 10.130 -8.256 3.065 1.00 0.44 C ATOM 118 CD LYS A 316 10.265 -9.697 3.524 1.00 0.55 C ATOM 119 CE LYS A 316 11.155 -10.503 2.593 1.00 0.67 C ATOM 120 NZ LYS A 316 11.155 -11.947 2.942 1.00 1.44 N ATOM 0 H LYS A 316 7.342 -6.625 2.248 1.00 0.25 H new ATOM 0 HA LYS A 316 10.097 -6.161 1.248 1.00 0.28 H new ATOM 0 HB2 LYS A 316 8.570 -8.752 1.688 1.00 0.34 H new ATOM 0 HB3 LYS A 316 10.159 -8.624 0.958 1.00 0.34 H new ATOM 0 HG2 LYS A 316 11.114 -7.787 3.041 1.00 0.44 H new ATOM 0 HG3 LYS A 316 9.528 -7.699 3.783 1.00 0.44 H new ATOM 0 HD2 LYS A 316 10.678 -9.720 4.533 1.00 0.55 H new ATOM 0 HD3 LYS A 316 9.278 -10.157 3.573 1.00 0.55 H new ATOM 0 HE2 LYS A 316 10.814 -10.378 1.565 1.00 0.67 H new ATOM 0 HE3 LYS A 316 12.174 -10.118 2.640 1.00 0.67 H new ATOM 0 HZ1 LYS A 316 11.885 -12.438 2.388 1.00 1.44 H new ATOM 0 HZ2 LYS A 316 11.357 -12.059 3.956 1.00 1.44 H new ATOM 0 HZ3 LYS A 316 10.223 -12.356 2.727 1.00 1.44 H new ATOM 134 N GLU A 317 9.184 -5.928 -1.037 1.00 0.32 N ATOM 135 CA GLU A 317 8.672 -5.754 -2.394 1.00 0.37 C ATOM 136 C GLU A 317 9.045 -6.923 -3.294 1.00 0.45 C ATOM 137 O GLU A 317 10.224 -7.233 -3.478 1.00 0.48 O ATOM 138 CB GLU A 317 9.205 -4.460 -3.011 1.00 0.39 C ATOM 139 CG GLU A 317 8.865 -3.213 -2.218 1.00 0.41 C ATOM 140 CD GLU A 317 9.330 -1.947 -2.906 1.00 0.49 C ATOM 141 OE1 GLU A 317 10.452 -1.935 -3.454 1.00 0.70 O ATOM 142 OE2 GLU A 317 8.591 -0.940 -2.881 1.00 0.61 O ATOM 0 H GLU A 317 10.019 -5.380 -0.830 1.00 0.32 H new ATOM 0 HA GLU A 317 7.586 -5.707 -2.318 1.00 0.37 H new ATOM 0 HB2 GLU A 317 10.288 -4.534 -3.105 1.00 0.39 H new ATOM 0 HB3 GLU A 317 8.803 -4.358 -4.019 1.00 0.39 H new ATOM 0 HG2 GLU A 317 7.787 -3.165 -2.066 1.00 0.41 H new ATOM 0 HG3 GLU A 317 9.324 -3.277 -1.231 1.00 0.41 H new ATOM 275 N LEU A 325 12.975 -10.171 -2.397 1.00 0.61 N ATOM 276 CA LEU A 325 12.037 -9.169 -1.917 1.00 0.49 C ATOM 277 C LEU A 325 12.789 -8.052 -1.205 1.00 0.45 C ATOM 278 O LEU A 325 13.475 -8.287 -0.209 1.00 0.55 O ATOM 279 CB LEU A 325 10.994 -9.783 -0.972 1.00 0.47 C ATOM 280 CG LEU A 325 9.984 -10.743 -1.614 1.00 0.53 C ATOM 281 CD1 LEU A 325 10.600 -12.111 -1.855 1.00 0.69 C ATOM 282 CD2 LEU A 325 8.744 -10.867 -0.746 1.00 0.56 C ATOM 0 HA LEU A 325 11.510 -8.761 -2.780 1.00 0.49 H new ATOM 0 HB2 LEU A 325 11.520 -10.317 -0.181 1.00 0.47 H new ATOM 0 HB3 LEU A 325 10.442 -8.972 -0.497 1.00 0.47 H new ATOM 0 HG LEU A 325 9.697 -10.329 -2.580 1.00 0.53 H new ATOM 0 HD11 LEU A 325 9.859 -12.768 -2.311 1.00 0.69 H new ATOM 0 HD12 LEU A 325 11.457 -12.012 -2.522 1.00 0.69 H new ATOM 0 HD13 LEU A 325 10.927 -12.535 -0.906 1.00 0.69 H new ATOM 0 HD21 LEU A 325 8.038 -11.552 -1.216 1.00 0.56 H new ATOM 0 HD22 LEU A 325 9.024 -11.251 0.235 1.00 0.56 H new ATOM 0 HD23 LEU A 325 8.279 -9.887 -0.633 1.00 0.56 H new ATOM 294 N VAL A 326 12.655 -6.841 -1.721 1.00 0.40 N ATOM 295 CA VAL A 326 13.394 -5.696 -1.205 1.00 0.38 C ATOM 296 C VAL A 326 12.677 -5.070 -0.012 1.00 0.32 C ATOM 297 O VAL A 326 11.479 -4.794 -0.078 1.00 0.29 O ATOM 298 CB VAL A 326 13.587 -4.625 -2.301 1.00 0.42 C ATOM 299 CG1 VAL A 326 14.414 -3.456 -1.785 1.00 0.45 C ATOM 300 CG2 VAL A 326 14.236 -5.235 -3.533 1.00 0.51 C ATOM 0 H VAL A 326 12.037 -6.623 -2.503 1.00 0.40 H new ATOM 0 HA VAL A 326 14.369 -6.060 -0.882 1.00 0.38 H new ATOM 0 HB VAL A 326 12.604 -4.245 -2.578 1.00 0.42 H new ATOM 0 HG11 VAL A 326 14.534 -2.717 -2.578 1.00 0.45 H new ATOM 0 HG12 VAL A 326 13.907 -2.998 -0.936 1.00 0.45 H new ATOM 0 HG13 VAL A 326 15.395 -3.814 -1.472 1.00 0.45 H new ATOM 0 HG21 VAL A 326 14.364 -4.466 -4.295 1.00 0.51 H new ATOM 0 HG22 VAL A 326 15.209 -5.647 -3.265 1.00 0.51 H new ATOM 0 HG23 VAL A 326 13.600 -6.030 -3.923 1.00 0.51 H new ATOM 310 N PRO A 327 13.402 -4.863 1.101 1.00 0.33 N ATOM 311 CA PRO A 327 12.863 -4.195 2.289 1.00 0.30 C ATOM 312 C PRO A 327 12.497 -2.741 2.003 1.00 0.25 C ATOM 313 O PRO A 327 13.345 -1.934 1.609 1.00 0.32 O ATOM 314 CB PRO A 327 14.008 -4.268 3.308 1.00 0.39 C ATOM 315 CG PRO A 327 14.933 -5.313 2.785 1.00 0.46 C ATOM 316 CD PRO A 327 14.801 -5.271 1.293 1.00 0.42 C ATOM 0 HA PRO A 327 11.945 -4.667 2.640 1.00 0.30 H new ATOM 0 HB2 PRO A 327 14.513 -3.307 3.402 1.00 0.39 H new ATOM 0 HB3 PRO A 327 13.637 -4.531 4.299 1.00 0.39 H new ATOM 0 HG2 PRO A 327 15.960 -5.114 3.092 1.00 0.46 H new ATOM 0 HG3 PRO A 327 14.669 -6.297 3.173 1.00 0.46 H new ATOM 0 HD2 PRO A 327 15.495 -4.559 0.845 1.00 0.42 H new ATOM 0 HD3 PRO A 327 15.005 -6.242 0.841 1.00 0.42 H new ATOM 324 N ARG A 328 11.232 -2.411 2.195 1.00 0.21 N ATOM 325 CA ARG A 328 10.746 -1.076 1.908 1.00 0.23 C ATOM 326 C ARG A 328 10.009 -0.505 3.110 1.00 0.20 C ATOM 327 O ARG A 328 9.346 -1.234 3.845 1.00 0.23 O ATOM 328 CB ARG A 328 9.806 -1.114 0.699 1.00 0.32 C ATOM 329 CG ARG A 328 9.498 0.256 0.115 1.00 0.50 C ATOM 330 CD ARG A 328 10.734 0.869 -0.517 1.00 0.56 C ATOM 331 NE ARG A 328 11.243 0.058 -1.616 1.00 0.47 N ATOM 332 CZ ARG A 328 12.521 -0.007 -1.964 1.00 0.58 C ATOM 333 NH1 ARG A 328 13.427 0.677 -1.287 1.00 0.78 N ATOM 334 NH2 ARG A 328 12.888 -0.762 -2.987 1.00 0.65 N ATOM 0 H ARG A 328 10.522 -3.052 2.549 1.00 0.21 H new ATOM 0 HA ARG A 328 11.600 -0.437 1.685 1.00 0.23 H new ATOM 0 HB2 ARG A 328 10.252 -1.737 -0.076 1.00 0.32 H new ATOM 0 HB3 ARG A 328 8.871 -1.592 0.993 1.00 0.32 H new ATOM 0 HG2 ARG A 328 8.709 0.168 -0.632 1.00 0.50 H new ATOM 0 HG3 ARG A 328 9.122 0.913 0.899 1.00 0.50 H new ATOM 0 HD2 ARG A 328 10.497 1.868 -0.883 1.00 0.56 H new ATOM 0 HD3 ARG A 328 11.510 0.983 0.240 1.00 0.56 H new ATOM 0 HE ARG A 328 10.574 -0.495 -2.151 1.00 0.47 H new ATOM 0 HH11 ARG A 328 13.143 1.255 -0.496 1.00 0.78 H new ATOM 0 HH12 ARG A 328 14.410 0.626 -1.555 1.00 0.78 H new ATOM 0 HH21 ARG A 328 12.188 -1.292 -3.506 1.00 0.65 H new ATOM 0 HH22 ARG A 328 13.870 -0.813 -3.256 1.00 0.65 H new ATOM 348 N LEU A 329 10.147 0.792 3.313 1.00 0.18 N ATOM 349 CA LEU A 329 9.384 1.492 4.329 1.00 0.20 C ATOM 350 C LEU A 329 8.156 2.120 3.691 1.00 0.19 C ATOM 351 O LEU A 329 8.250 3.155 3.028 1.00 0.24 O ATOM 352 CB LEU A 329 10.234 2.571 5.003 1.00 0.25 C ATOM 353 CG LEU A 329 11.392 2.055 5.858 1.00 0.31 C ATOM 354 CD1 LEU A 329 12.226 3.217 6.372 1.00 0.37 C ATOM 355 CD2 LEU A 329 10.865 1.223 7.018 1.00 0.36 C ATOM 0 H LEU A 329 10.785 1.386 2.783 1.00 0.18 H new ATOM 0 HA LEU A 329 9.077 0.777 5.093 1.00 0.20 H new ATOM 0 HB2 LEU A 329 10.638 3.226 4.231 1.00 0.25 H new ATOM 0 HB3 LEU A 329 9.585 3.181 5.631 1.00 0.25 H new ATOM 0 HG LEU A 329 12.026 1.420 5.239 1.00 0.31 H new ATOM 0 HD11 LEU A 329 13.047 2.835 6.979 1.00 0.37 H new ATOM 0 HD12 LEU A 329 12.629 3.777 5.528 1.00 0.37 H new ATOM 0 HD13 LEU A 329 11.601 3.873 6.978 1.00 0.37 H new ATOM 0 HD21 LEU A 329 11.701 0.863 7.617 1.00 0.36 H new ATOM 0 HD22 LEU A 329 10.212 1.836 7.638 1.00 0.36 H new ATOM 0 HD23 LEU A 329 10.304 0.373 6.630 1.00 0.36 H new ATOM 367 N LEU A 330 7.018 1.471 3.855 1.00 0.17 N ATOM 368 CA LEU A 330 5.779 1.969 3.287 1.00 0.17 C ATOM 369 C LEU A 330 5.210 3.068 4.173 1.00 0.18 C ATOM 370 O LEU A 330 4.732 2.801 5.277 1.00 0.24 O ATOM 371 CB LEU A 330 4.769 0.830 3.129 1.00 0.22 C ATOM 372 CG LEU A 330 3.531 1.172 2.299 1.00 0.26 C ATOM 373 CD1 LEU A 330 3.930 1.555 0.881 1.00 0.57 C ATOM 374 CD2 LEU A 330 2.563 -0.001 2.278 1.00 0.49 C ATOM 0 H LEU A 330 6.926 0.599 4.376 1.00 0.17 H new ATOM 0 HA LEU A 330 5.983 2.383 2.300 1.00 0.17 H new ATOM 0 HB2 LEU A 330 5.272 -0.020 2.669 1.00 0.22 H new ATOM 0 HB3 LEU A 330 4.446 0.511 4.120 1.00 0.22 H new ATOM 0 HG LEU A 330 3.032 2.024 2.761 1.00 0.26 H new ATOM 0 HD11 LEU A 330 3.037 1.795 0.304 1.00 0.57 H new ATOM 0 HD12 LEU A 330 4.588 2.424 0.910 1.00 0.57 H new ATOM 0 HD13 LEU A 330 4.451 0.721 0.412 1.00 0.57 H new ATOM 0 HD21 LEU A 330 1.688 0.260 1.683 1.00 0.49 H new ATOM 0 HD22 LEU A 330 3.054 -0.870 1.840 1.00 0.49 H new ATOM 0 HD23 LEU A 330 2.253 -0.235 3.296 1.00 0.49 H new ATOM 386 N GLY A 331 5.290 4.300 3.694 1.00 0.18 N ATOM 387 CA GLY A 331 4.820 5.431 4.464 1.00 0.22 C ATOM 388 C GLY A 331 3.410 5.826 4.095 1.00 0.22 C ATOM 389 O GLY A 331 3.163 6.321 2.990 1.00 0.29 O ATOM 0 H GLY A 331 5.675 4.537 2.780 1.00 0.18 H new ATOM 0 HA2 GLY A 331 4.861 5.188 5.526 1.00 0.22 H new ATOM 0 HA3 GLY A 331 5.486 6.279 4.305 1.00 0.22 H new ATOM 393 N ILE A 332 2.484 5.602 5.012 1.00 0.22 N ATOM 394 CA ILE A 332 1.087 5.935 4.787 1.00 0.22 C ATOM 395 C ILE A 332 0.774 7.303 5.380 1.00 0.24 C ATOM 396 O ILE A 332 1.066 7.566 6.548 1.00 0.36 O ATOM 397 CB ILE A 332 0.146 4.880 5.413 1.00 0.26 C ATOM 398 CG1 ILE A 332 0.501 3.472 4.918 1.00 0.27 C ATOM 399 CG2 ILE A 332 -1.310 5.200 5.096 1.00 0.28 C ATOM 400 CD1 ILE A 332 0.363 3.292 3.421 1.00 0.27 C ATOM 0 H ILE A 332 2.676 5.189 5.924 1.00 0.22 H new ATOM 0 HA ILE A 332 0.920 5.950 3.710 1.00 0.22 H new ATOM 0 HB ILE A 332 0.279 4.909 6.494 1.00 0.26 H new ATOM 0 HG12 ILE A 332 1.527 3.244 5.208 1.00 0.27 H new ATOM 0 HG13 ILE A 332 -0.141 2.749 5.421 1.00 0.27 H new ATOM 0 HG21 ILE A 332 -1.955 4.445 5.546 1.00 0.28 H new ATOM 0 HG22 ILE A 332 -1.563 6.181 5.499 1.00 0.28 H new ATOM 0 HG23 ILE A 332 -1.455 5.204 4.016 1.00 0.28 H new ATOM 0 HD11 ILE A 332 0.632 2.271 3.151 1.00 0.27 H new ATOM 0 HD12 ILE A 332 -0.668 3.486 3.125 1.00 0.27 H new ATOM 0 HD13 ILE A 332 1.025 3.989 2.908 1.00 0.27 H new ATOM 412 N THR A 333 0.199 8.178 4.569 1.00 0.22 N ATOM 413 CA THR A 333 -0.167 9.506 5.024 1.00 0.23 C ATOM 414 C THR A 333 -1.660 9.737 4.820 1.00 0.23 C ATOM 415 O THR A 333 -2.367 8.855 4.331 1.00 0.28 O ATOM 416 CB THR A 333 0.630 10.601 4.283 1.00 0.26 C ATOM 417 OG1 THR A 333 0.379 10.525 2.878 1.00 0.34 O ATOM 418 CG2 THR A 333 2.124 10.458 4.539 1.00 0.38 C ATOM 0 H THR A 333 -0.024 7.990 3.592 1.00 0.22 H new ATOM 0 HA THR A 333 0.074 9.568 6.085 1.00 0.23 H new ATOM 0 HB THR A 333 0.303 11.569 4.662 1.00 0.26 H new ATOM 0 HG1 THR A 333 0.635 9.639 2.547 1.00 0.34 H new ATOM 0 HG21 THR A 333 2.661 11.242 4.005 1.00 0.38 H new ATOM 0 HG22 THR A 333 2.320 10.547 5.608 1.00 0.38 H new ATOM 0 HG23 THR A 333 2.462 9.483 4.188 1.00 0.38 H new ATOM 426 N LYS A 334 -2.129 10.929 5.166 1.00 0.26 N ATOM 427 CA LYS A 334 -3.552 11.253 5.091 1.00 0.28 C ATOM 428 C LYS A 334 -3.980 11.581 3.660 1.00 0.26 C ATOM 429 O LYS A 334 -5.093 12.063 3.432 1.00 0.43 O ATOM 430 CB LYS A 334 -3.861 12.441 6.007 1.00 0.38 C ATOM 431 CG LYS A 334 -3.293 13.764 5.506 1.00 0.47 C ATOM 432 CD LYS A 334 -3.479 14.875 6.526 1.00 0.63 C ATOM 433 CE LYS A 334 -3.176 16.242 5.930 1.00 0.89 C ATOM 434 NZ LYS A 334 -1.807 16.323 5.352 1.00 1.61 N ATOM 0 H LYS A 334 -1.543 11.693 5.503 1.00 0.26 H new ATOM 0 HA LYS A 334 -4.113 10.377 5.417 1.00 0.28 H new ATOM 0 HB2 LYS A 334 -4.942 12.536 6.112 1.00 0.38 H new ATOM 0 HB3 LYS A 334 -3.461 12.237 7.000 1.00 0.38 H new ATOM 0 HG2 LYS A 334 -2.232 13.645 5.286 1.00 0.47 H new ATOM 0 HG3 LYS A 334 -3.783 14.041 4.572 1.00 0.47 H new ATOM 0 HD2 LYS A 334 -4.503 14.859 6.899 1.00 0.63 H new ATOM 0 HD3 LYS A 334 -2.826 14.698 7.381 1.00 0.63 H new ATOM 0 HE2 LYS A 334 -3.908 16.466 5.154 1.00 0.89 H new ATOM 0 HE3 LYS A 334 -3.286 17.004 6.702 1.00 0.89 H new ATOM 0 HZ1 LYS A 334 -1.543 17.321 5.224 1.00 1.61 H new ATOM 0 HZ2 LYS A 334 -1.131 15.865 5.996 1.00 1.61 H new ATOM 0 HZ3 LYS A 334 -1.790 15.840 4.431 1.00 1.61 H new ATOM 448 N GLU A 335 -3.106 11.316 2.697 1.00 0.27 N ATOM 449 CA GLU A 335 -3.371 11.689 1.316 1.00 0.33 C ATOM 450 C GLU A 335 -2.558 10.851 0.329 1.00 0.27 C ATOM 451 O GLU A 335 -3.014 10.577 -0.784 1.00 0.34 O ATOM 452 CB GLU A 335 -3.054 13.173 1.125 1.00 0.46 C ATOM 453 CG GLU A 335 -1.643 13.545 1.556 1.00 0.56 C ATOM 454 CD GLU A 335 -1.430 15.036 1.641 1.00 0.85 C ATOM 455 OE1 GLU A 335 -1.137 15.664 0.601 1.00 1.79 O ATOM 456 OE2 GLU A 335 -1.539 15.592 2.754 1.00 1.04 O ATOM 0 H GLU A 335 -2.213 10.847 2.847 1.00 0.27 H new ATOM 0 HA GLU A 335 -4.425 11.499 1.111 1.00 0.33 H new ATOM 0 HB2 GLU A 335 -3.187 13.434 0.075 1.00 0.46 H new ATOM 0 HB3 GLU A 335 -3.769 13.767 1.694 1.00 0.46 H new ATOM 0 HG2 GLU A 335 -1.435 13.097 2.528 1.00 0.56 H new ATOM 0 HG3 GLU A 335 -0.929 13.121 0.850 1.00 0.56 H new ATOM 463 N CYS A 336 -1.369 10.426 0.734 1.00 0.23 N ATOM 464 CA CYS A 336 -0.463 9.750 -0.183 1.00 0.24 C ATOM 465 C CYS A 336 0.135 8.483 0.423 1.00 0.21 C ATOM 466 O CYS A 336 0.019 8.231 1.626 1.00 0.28 O ATOM 467 CB CYS A 336 0.660 10.706 -0.589 1.00 0.32 C ATOM 468 SG CYS A 336 0.081 12.257 -1.309 1.00 1.10 S ATOM 0 H CYS A 336 -1.012 10.536 1.683 1.00 0.23 H new ATOM 0 HA CYS A 336 -1.041 9.452 -1.058 1.00 0.24 H new ATOM 0 HB2 CYS A 336 1.268 10.929 0.288 1.00 0.32 H new ATOM 0 HB3 CYS A 336 1.309 10.204 -1.307 1.00 0.32 H new ATOM 0 HG CYS A 336 1.046 12.810 -1.983 1.00 1.10 H new ATOM 474 N VAL A 337 0.776 7.693 -0.430 1.00 0.22 N ATOM 475 CA VAL A 337 1.461 6.474 -0.018 1.00 0.21 C ATOM 476 C VAL A 337 2.855 6.441 -0.643 1.00 0.19 C ATOM 477 O VAL A 337 2.996 6.206 -1.843 1.00 0.22 O ATOM 478 CB VAL A 337 0.684 5.206 -0.444 1.00 0.26 C ATOM 479 CG1 VAL A 337 1.426 3.948 -0.024 1.00 0.27 C ATOM 480 CG2 VAL A 337 -0.722 5.208 0.137 1.00 0.32 C ATOM 0 H VAL A 337 0.835 7.881 -1.431 1.00 0.22 H new ATOM 0 HA VAL A 337 1.528 6.480 1.070 1.00 0.21 H new ATOM 0 HB VAL A 337 0.607 5.214 -1.531 1.00 0.26 H new ATOM 0 HG11 VAL A 337 0.859 3.070 -0.335 1.00 0.27 H new ATOM 0 HG12 VAL A 337 2.409 3.931 -0.495 1.00 0.27 H new ATOM 0 HG13 VAL A 337 1.543 3.939 1.060 1.00 0.27 H new ATOM 0 HG21 VAL A 337 -1.247 4.306 -0.178 1.00 0.32 H new ATOM 0 HG22 VAL A 337 -0.666 5.234 1.225 1.00 0.32 H new ATOM 0 HG23 VAL A 337 -1.262 6.085 -0.220 1.00 0.32 H new ATOM 490 N MET A 338 3.878 6.688 0.159 1.00 0.17 N ATOM 491 CA MET A 338 5.233 6.808 -0.369 1.00 0.17 C ATOM 492 C MET A 338 6.071 5.571 -0.061 1.00 0.16 C ATOM 493 O MET A 338 6.005 5.016 1.037 1.00 0.20 O ATOM 494 CB MET A 338 5.924 8.060 0.186 1.00 0.22 C ATOM 495 CG MET A 338 6.066 8.070 1.701 1.00 0.24 C ATOM 496 SD MET A 338 6.983 9.502 2.306 1.00 1.08 S ATOM 497 CE MET A 338 5.936 10.841 1.740 1.00 0.62 C ATOM 0 H MET A 338 3.801 6.809 1.169 1.00 0.17 H new ATOM 0 HA MET A 338 5.150 6.898 -1.452 1.00 0.17 H new ATOM 0 HB2 MET A 338 6.914 8.144 -0.262 1.00 0.22 H new ATOM 0 HB3 MET A 338 5.359 8.940 -0.121 1.00 0.22 H new ATOM 0 HG2 MET A 338 5.075 8.060 2.155 1.00 0.24 H new ATOM 0 HG3 MET A 338 6.572 7.159 2.020 1.00 0.24 H new ATOM 0 HE1 MET A 338 6.153 11.741 2.316 1.00 0.62 H new ATOM 0 HE2 MET A 338 6.127 11.031 0.684 1.00 0.62 H new ATOM 0 HE3 MET A 338 4.890 10.567 1.876 1.00 0.62 H new ATOM 507 N ARG A 339 6.848 5.139 -1.045 1.00 0.16 N ATOM 508 CA ARG A 339 7.778 4.033 -0.861 1.00 0.17 C ATOM 509 C ARG A 339 9.154 4.561 -0.479 1.00 0.16 C ATOM 510 O ARG A 339 9.882 5.082 -1.325 1.00 0.18 O ATOM 511 CB ARG A 339 7.897 3.195 -2.138 1.00 0.22 C ATOM 512 CG ARG A 339 6.603 2.530 -2.563 1.00 0.27 C ATOM 513 CD ARG A 339 6.847 1.481 -3.636 1.00 0.31 C ATOM 514 NE ARG A 339 7.337 2.048 -4.895 1.00 0.73 N ATOM 515 CZ ARG A 339 8.378 1.555 -5.572 1.00 1.03 C ATOM 516 NH1 ARG A 339 9.067 0.532 -5.082 1.00 1.15 N ATOM 517 NH2 ARG A 339 8.720 2.072 -6.747 1.00 1.55 N ATOM 0 H ARG A 339 6.852 5.540 -1.983 1.00 0.16 H new ATOM 0 HA ARG A 339 7.391 3.402 -0.061 1.00 0.17 H new ATOM 0 HB2 ARG A 339 8.248 3.834 -2.948 1.00 0.22 H new ATOM 0 HB3 ARG A 339 8.655 2.427 -1.987 1.00 0.22 H new ATOM 0 HG2 ARG A 339 6.129 2.065 -1.698 1.00 0.27 H new ATOM 0 HG3 ARG A 339 5.911 3.283 -2.939 1.00 0.27 H new ATOM 0 HD2 ARG A 339 7.570 0.754 -3.267 1.00 0.31 H new ATOM 0 HD3 ARG A 339 5.919 0.941 -3.825 1.00 0.31 H new ATOM 0 HE ARG A 339 6.857 2.864 -5.275 1.00 0.73 H new ATOM 0 HH11 ARG A 339 8.802 0.121 -4.187 1.00 1.15 H new ATOM 0 HH12 ARG A 339 9.861 0.157 -5.600 1.00 1.15 H new ATOM 0 HH21 ARG A 339 8.187 2.849 -7.137 1.00 1.55 H new ATOM 0 HH22 ARG A 339 9.516 1.692 -7.259 1.00 1.55 H new ATOM 531 N VAL A 340 9.502 4.440 0.791 1.00 0.18 N ATOM 532 CA VAL A 340 10.798 4.896 1.274 1.00 0.22 C ATOM 533 C VAL A 340 11.770 3.722 1.362 1.00 0.24 C ATOM 534 O VAL A 340 11.430 2.672 1.899 1.00 0.24 O ATOM 535 CB VAL A 340 10.675 5.568 2.660 1.00 0.25 C ATOM 536 CG1 VAL A 340 12.023 6.086 3.140 1.00 0.31 C ATOM 537 CG2 VAL A 340 9.651 6.693 2.616 1.00 0.28 C ATOM 0 H VAL A 340 8.905 4.029 1.509 1.00 0.18 H new ATOM 0 HA VAL A 340 11.177 5.632 0.565 1.00 0.22 H new ATOM 0 HB VAL A 340 10.334 4.816 3.372 1.00 0.25 H new ATOM 0 HG11 VAL A 340 11.906 6.554 4.118 1.00 0.31 H new ATOM 0 HG12 VAL A 340 12.725 5.256 3.217 1.00 0.31 H new ATOM 0 HG13 VAL A 340 12.405 6.820 2.430 1.00 0.31 H new ATOM 0 HG21 VAL A 340 9.576 7.156 3.600 1.00 0.28 H new ATOM 0 HG22 VAL A 340 9.963 7.440 1.886 1.00 0.28 H new ATOM 0 HG23 VAL A 340 8.680 6.290 2.330 1.00 0.28 H new ATOM 547 N ASP A 341 12.962 3.883 0.806 1.00 0.30 N ATOM 548 CA ASP A 341 13.979 2.841 0.876 1.00 0.36 C ATOM 549 C ASP A 341 14.379 2.597 2.323 1.00 0.38 C ATOM 550 O ASP A 341 14.683 3.539 3.051 1.00 0.41 O ATOM 551 CB ASP A 341 15.209 3.218 0.047 1.00 0.46 C ATOM 552 CG ASP A 341 16.212 2.083 -0.043 1.00 0.55 C ATOM 553 OD1 ASP A 341 17.097 1.992 0.830 1.00 0.77 O ATOM 554 OD2 ASP A 341 16.120 1.274 -0.988 1.00 0.67 O ATOM 0 H ASP A 341 13.249 4.722 0.303 1.00 0.30 H new ATOM 0 HA ASP A 341 13.557 1.925 0.462 1.00 0.36 H new ATOM 0 HB2 ASP A 341 14.894 3.503 -0.957 1.00 0.46 H new ATOM 0 HB3 ASP A 341 15.690 4.090 0.490 1.00 0.46 H new ATOM 559 N GLU A 342 14.368 1.334 2.730 1.00 0.42 N ATOM 560 CA GLU A 342 14.625 0.960 4.117 1.00 0.47 C ATOM 561 C GLU A 342 15.970 1.500 4.594 1.00 0.60 C ATOM 562 O GLU A 342 16.051 2.189 5.612 1.00 0.72 O ATOM 563 CB GLU A 342 14.582 -0.569 4.248 1.00 0.49 C ATOM 564 CG GLU A 342 14.534 -1.098 5.679 1.00 0.60 C ATOM 565 CD GLU A 342 15.864 -1.018 6.404 1.00 0.95 C ATOM 566 OE1 GLU A 342 16.802 -1.747 6.017 1.00 1.51 O ATOM 567 OE2 GLU A 342 15.981 -0.219 7.357 1.00 1.36 O ATOM 0 H GLU A 342 14.182 0.543 2.113 1.00 0.42 H new ATOM 0 HA GLU A 342 13.852 1.400 4.747 1.00 0.47 H new ATOM 0 HB2 GLU A 342 13.708 -0.939 3.711 1.00 0.49 H new ATOM 0 HB3 GLU A 342 15.460 -0.985 3.753 1.00 0.49 H new ATOM 0 HG2 GLU A 342 13.790 -0.534 6.241 1.00 0.60 H new ATOM 0 HG3 GLU A 342 14.201 -2.136 5.662 1.00 0.60 H new ATOM 574 N LYS A 343 17.016 1.215 3.840 1.00 0.69 N ATOM 575 CA LYS A 343 18.364 1.508 4.289 1.00 0.87 C ATOM 576 C LYS A 343 18.799 2.917 3.892 1.00 0.79 C ATOM 577 O LYS A 343 19.425 3.622 4.679 1.00 0.86 O ATOM 578 CB LYS A 343 19.336 0.475 3.718 1.00 1.08 C ATOM 579 CG LYS A 343 20.606 0.324 4.534 1.00 1.36 C ATOM 580 CD LYS A 343 21.522 -0.734 3.948 1.00 1.63 C ATOM 581 CE LYS A 343 22.598 -1.137 4.941 1.00 2.26 C ATOM 582 NZ LYS A 343 22.028 -1.870 6.104 1.00 3.06 N ATOM 0 H LYS A 343 16.958 0.783 2.918 1.00 0.69 H new ATOM 0 HA LYS A 343 18.374 1.456 5.378 1.00 0.87 H new ATOM 0 HB2 LYS A 343 18.834 -0.491 3.659 1.00 1.08 H new ATOM 0 HB3 LYS A 343 19.600 0.760 2.699 1.00 1.08 H new ATOM 0 HG2 LYS A 343 21.130 1.279 4.573 1.00 1.36 H new ATOM 0 HG3 LYS A 343 20.351 0.058 5.560 1.00 1.36 H new ATOM 0 HD2 LYS A 343 20.937 -1.609 3.665 1.00 1.63 H new ATOM 0 HD3 LYS A 343 21.987 -0.354 3.038 1.00 1.63 H new ATOM 0 HE2 LYS A 343 23.337 -1.764 4.442 1.00 2.26 H new ATOM 0 HE3 LYS A 343 23.120 -0.247 5.292 1.00 2.26 H new ATOM 0 HZ1 LYS A 343 22.776 -2.427 6.564 1.00 3.06 H new ATOM 0 HZ2 LYS A 343 21.635 -1.189 6.785 1.00 3.06 H new ATOM 0 HZ3 LYS A 343 21.274 -2.507 5.777 1.00 3.06 H new ATOM 596 N THR A 344 18.457 3.330 2.679 1.00 0.73 N ATOM 597 CA THR A 344 18.931 4.605 2.151 1.00 0.72 C ATOM 598 C THR A 344 17.990 5.756 2.512 1.00 0.63 C ATOM 599 O THR A 344 18.354 6.925 2.382 1.00 0.67 O ATOM 600 CB THR A 344 19.094 4.540 0.620 1.00 0.80 C ATOM 601 OG1 THR A 344 19.442 3.205 0.224 1.00 0.92 O ATOM 602 CG2 THR A 344 20.179 5.499 0.157 1.00 0.92 C ATOM 0 H THR A 344 17.856 2.805 2.044 1.00 0.73 H new ATOM 0 HA THR A 344 19.901 4.795 2.611 1.00 0.72 H new ATOM 0 HB THR A 344 18.148 4.826 0.160 1.00 0.80 H new ATOM 0 HG1 THR A 344 18.640 2.642 0.230 1.00 0.92 H new ATOM 0 HG21 THR A 344 20.279 5.439 -0.927 1.00 0.92 H new ATOM 0 HG22 THR A 344 19.910 6.517 0.441 1.00 0.92 H new ATOM 0 HG23 THR A 344 21.126 5.230 0.625 1.00 0.92 H new ATOM 610 N LYS A 345 16.778 5.415 2.957 1.00 0.55 N ATOM 611 CA LYS A 345 15.787 6.406 3.402 1.00 0.52 C ATOM 612 C LYS A 345 15.321 7.305 2.251 1.00 0.53 C ATOM 613 O LYS A 345 14.836 8.414 2.476 1.00 0.61 O ATOM 614 CB LYS A 345 16.354 7.267 4.539 1.00 0.61 C ATOM 615 CG LYS A 345 16.775 6.474 5.767 1.00 0.63 C ATOM 616 CD LYS A 345 15.601 5.740 6.394 1.00 0.62 C ATOM 617 CE LYS A 345 16.006 5.033 7.677 1.00 0.71 C ATOM 618 NZ LYS A 345 17.065 4.013 7.451 1.00 1.50 N ATOM 0 H LYS A 345 16.454 4.450 3.020 1.00 0.55 H new ATOM 0 HA LYS A 345 14.922 5.852 3.768 1.00 0.52 H new ATOM 0 HB2 LYS A 345 17.214 7.822 4.166 1.00 0.61 H new ATOM 0 HB3 LYS A 345 15.604 8.001 4.833 1.00 0.61 H new ATOM 0 HG2 LYS A 345 17.546 5.756 5.489 1.00 0.63 H new ATOM 0 HG3 LYS A 345 17.217 7.148 6.501 1.00 0.63 H new ATOM 0 HD2 LYS A 345 14.799 6.448 6.605 1.00 0.62 H new ATOM 0 HD3 LYS A 345 15.206 5.012 5.686 1.00 0.62 H new ATOM 0 HE2 LYS A 345 16.362 5.769 8.398 1.00 0.71 H new ATOM 0 HE3 LYS A 345 15.131 4.554 8.117 1.00 0.71 H new ATOM 0 HZ1 LYS A 345 17.188 3.444 8.312 1.00 1.50 H new ATOM 0 HZ2 LYS A 345 16.788 3.393 6.663 1.00 1.50 H new ATOM 0 HZ3 LYS A 345 17.961 4.488 7.219 1.00 1.50 H new ATOM 632 N GLU A 346 15.446 6.815 1.024 1.00 0.53 N ATOM 633 CA GLU A 346 15.044 7.588 -0.145 1.00 0.58 C ATOM 634 C GLU A 346 13.607 7.274 -0.542 1.00 0.44 C ATOM 635 O GLU A 346 13.221 6.109 -0.629 1.00 0.42 O ATOM 636 CB GLU A 346 15.961 7.295 -1.332 1.00 0.77 C ATOM 637 CG GLU A 346 17.418 7.651 -1.100 1.00 0.95 C ATOM 638 CD GLU A 346 18.254 7.477 -2.350 1.00 1.61 C ATOM 639 OE1 GLU A 346 18.748 6.356 -2.585 1.00 2.46 O ATOM 640 OE2 GLU A 346 18.431 8.458 -3.104 1.00 1.81 O ATOM 0 H GLU A 346 15.821 5.890 0.813 1.00 0.53 H new ATOM 0 HA GLU A 346 15.121 8.642 0.122 1.00 0.58 H new ATOM 0 HB2 GLU A 346 15.893 6.235 -1.575 1.00 0.77 H new ATOM 0 HB3 GLU A 346 15.599 7.845 -2.200 1.00 0.77 H new ATOM 0 HG2 GLU A 346 17.488 8.684 -0.759 1.00 0.95 H new ATOM 0 HG3 GLU A 346 17.821 7.024 -0.305 1.00 0.95 H new ATOM 647 N VAL A 347 12.820 8.311 -0.785 1.00 0.39 N ATOM 648 CA VAL A 347 11.468 8.139 -1.289 1.00 0.33 C ATOM 649 C VAL A 347 11.522 7.871 -2.787 1.00 0.31 C ATOM 650 O VAL A 347 11.874 8.750 -3.576 1.00 0.42 O ATOM 651 CB VAL A 347 10.587 9.378 -1.014 1.00 0.41 C ATOM 652 CG1 VAL A 347 9.160 9.141 -1.490 1.00 0.54 C ATOM 653 CG2 VAL A 347 10.605 9.729 0.466 1.00 0.58 C ATOM 0 H VAL A 347 13.096 9.282 -0.641 1.00 0.39 H new ATOM 0 HA VAL A 347 11.019 7.294 -0.768 1.00 0.33 H new ATOM 0 HB VAL A 347 10.998 10.219 -1.572 1.00 0.41 H new ATOM 0 HG11 VAL A 347 8.557 10.026 -1.287 1.00 0.54 H new ATOM 0 HG12 VAL A 347 9.162 8.942 -2.562 1.00 0.54 H new ATOM 0 HG13 VAL A 347 8.738 8.285 -0.963 1.00 0.54 H new ATOM 0 HG21 VAL A 347 9.979 10.604 0.640 1.00 0.58 H new ATOM 0 HG22 VAL A 347 10.222 8.888 1.044 1.00 0.58 H new ATOM 0 HG23 VAL A 347 11.627 9.947 0.776 1.00 0.58 H new ATOM 663 N ILE A 348 11.201 6.648 -3.169 1.00 0.25 N ATOM 664 CA ILE A 348 11.322 6.216 -4.554 1.00 0.26 C ATOM 665 C ILE A 348 10.089 6.588 -5.367 1.00 0.26 C ATOM 666 O ILE A 348 10.196 7.131 -6.465 1.00 0.35 O ATOM 667 CB ILE A 348 11.539 4.693 -4.636 1.00 0.27 C ATOM 668 CG1 ILE A 348 12.755 4.290 -3.802 1.00 0.29 C ATOM 669 CG2 ILE A 348 11.716 4.251 -6.085 1.00 0.32 C ATOM 670 CD1 ILE A 348 12.972 2.799 -3.733 1.00 0.31 C ATOM 0 H ILE A 348 10.851 5.929 -2.535 1.00 0.25 H new ATOM 0 HA ILE A 348 12.187 6.731 -4.973 1.00 0.26 H new ATOM 0 HB ILE A 348 10.657 4.195 -4.234 1.00 0.27 H new ATOM 0 HG12 ILE A 348 13.645 4.759 -4.222 1.00 0.29 H new ATOM 0 HG13 ILE A 348 12.637 4.679 -2.791 1.00 0.29 H new ATOM 0 HG21 ILE A 348 11.868 3.172 -6.120 1.00 0.32 H new ATOM 0 HG22 ILE A 348 10.825 4.511 -6.656 1.00 0.32 H new ATOM 0 HG23 ILE A 348 12.582 4.754 -6.516 1.00 0.32 H new ATOM 0 HD11 ILE A 348 13.852 2.587 -3.125 1.00 0.31 H new ATOM 0 HD12 ILE A 348 12.099 2.325 -3.285 1.00 0.31 H new ATOM 0 HD13 ILE A 348 13.123 2.406 -4.739 1.00 0.31 H new ATOM 682 N GLN A 349 8.917 6.296 -4.826 1.00 0.23 N ATOM 683 CA GLN A 349 7.678 6.528 -5.547 1.00 0.23 C ATOM 684 C GLN A 349 6.549 6.798 -4.569 1.00 0.22 C ATOM 685 O GLN A 349 6.401 6.090 -3.574 1.00 0.29 O ATOM 686 CB GLN A 349 7.344 5.314 -6.413 1.00 0.28 C ATOM 687 CG GLN A 349 6.289 5.580 -7.473 1.00 0.40 C ATOM 688 CD GLN A 349 5.980 4.343 -8.289 1.00 0.86 C ATOM 689 OE1 GLN A 349 6.823 3.456 -8.434 1.00 1.65 O ATOM 690 NE2 GLN A 349 4.782 4.278 -8.843 1.00 0.81 N ATOM 0 H GLN A 349 8.799 5.899 -3.894 1.00 0.23 H new ATOM 0 HA GLN A 349 7.800 7.399 -6.191 1.00 0.23 H new ATOM 0 HB2 GLN A 349 8.255 4.968 -6.901 1.00 0.28 H new ATOM 0 HB3 GLN A 349 7.000 4.505 -5.769 1.00 0.28 H new ATOM 0 HG2 GLN A 349 5.376 5.936 -6.995 1.00 0.40 H new ATOM 0 HG3 GLN A 349 6.633 6.375 -8.135 1.00 0.40 H new ATOM 0 HE21 GLN A 349 4.112 5.033 -8.699 1.00 0.81 H new ATOM 0 HE22 GLN A 349 4.527 3.472 -9.415 1.00 0.81 H new ATOM 699 N GLU A 350 5.774 7.828 -4.847 1.00 0.23 N ATOM 700 CA GLU A 350 4.669 8.208 -3.989 1.00 0.25 C ATOM 701 C GLU A 350 3.348 8.120 -4.745 1.00 0.26 C ATOM 702 O GLU A 350 3.196 8.705 -5.818 1.00 0.36 O ATOM 703 CB GLU A 350 4.883 9.631 -3.477 1.00 0.30 C ATOM 704 CG GLU A 350 3.862 10.079 -2.449 1.00 0.36 C ATOM 705 CD GLU A 350 4.003 11.543 -2.106 1.00 0.45 C ATOM 706 OE1 GLU A 350 4.983 11.912 -1.426 1.00 0.65 O ATOM 707 OE2 GLU A 350 3.144 12.341 -2.525 1.00 0.60 O ATOM 0 H GLU A 350 5.891 8.421 -5.668 1.00 0.23 H new ATOM 0 HA GLU A 350 4.629 7.521 -3.144 1.00 0.25 H new ATOM 0 HB2 GLU A 350 5.879 9.702 -3.039 1.00 0.30 H new ATOM 0 HB3 GLU A 350 4.857 10.318 -4.323 1.00 0.30 H new ATOM 0 HG2 GLU A 350 2.858 9.892 -2.831 1.00 0.36 H new ATOM 0 HG3 GLU A 350 3.975 9.483 -1.543 1.00 0.36 H new ATOM 714 N TRP A 351 2.411 7.370 -4.191 1.00 0.23 N ATOM 715 CA TRP A 351 1.070 7.284 -4.743 1.00 0.26 C ATOM 716 C TRP A 351 0.127 8.180 -3.960 1.00 0.25 C ATOM 717 O TRP A 351 0.526 8.813 -2.987 1.00 0.52 O ATOM 718 CB TRP A 351 0.546 5.850 -4.694 1.00 0.30 C ATOM 719 CG TRP A 351 1.269 4.905 -5.595 1.00 0.30 C ATOM 720 CD1 TRP A 351 1.219 4.873 -6.956 1.00 0.38 C ATOM 721 CD2 TRP A 351 2.132 3.836 -5.198 1.00 0.30 C ATOM 722 NE1 TRP A 351 2.000 3.851 -7.431 1.00 0.41 N ATOM 723 CE2 TRP A 351 2.573 3.201 -6.372 1.00 0.34 C ATOM 724 CE3 TRP A 351 2.575 3.355 -3.965 1.00 0.35 C ATOM 725 CZ2 TRP A 351 3.433 2.110 -6.350 1.00 0.38 C ATOM 726 CZ3 TRP A 351 3.429 2.272 -3.944 1.00 0.40 C ATOM 727 CH2 TRP A 351 3.851 1.661 -5.130 1.00 0.39 C ATOM 0 H TRP A 351 2.556 6.808 -3.353 1.00 0.23 H new ATOM 0 HA TRP A 351 1.116 7.608 -5.783 1.00 0.26 H new ATOM 0 HB2 TRP A 351 0.616 5.484 -3.670 1.00 0.30 H new ATOM 0 HB3 TRP A 351 -0.511 5.852 -4.960 1.00 0.30 H new ATOM 0 HD1 TRP A 351 0.648 5.553 -7.571 1.00 0.38 H new ATOM 0 HE1 TRP A 351 2.132 3.614 -8.414 1.00 0.41 H new ATOM 0 HE3 TRP A 351 2.255 3.822 -3.045 1.00 0.35 H new ATOM 0 HZ2 TRP A 351 3.759 1.635 -7.264 1.00 0.38 H new ATOM 0 HZ3 TRP A 351 3.778 1.889 -2.996 1.00 0.40 H new ATOM 0 HH2 TRP A 351 4.522 0.816 -5.079 1.00 0.39 H new ATOM 738 N SER A 352 -1.125 8.208 -4.373 1.00 0.31 N ATOM 739 CA SER A 352 -2.141 8.980 -3.684 1.00 0.30 C ATOM 740 C SER A 352 -3.296 8.061 -3.302 1.00 0.26 C ATOM 741 O SER A 352 -3.563 7.084 -4.003 1.00 0.28 O ATOM 742 CB SER A 352 -2.630 10.111 -4.585 1.00 0.35 C ATOM 743 OG SER A 352 -1.535 10.838 -5.121 1.00 1.27 O ATOM 0 H SER A 352 -1.465 7.700 -5.190 1.00 0.31 H new ATOM 0 HA SER A 352 -1.722 9.418 -2.778 1.00 0.30 H new ATOM 0 HB2 SER A 352 -3.232 9.701 -5.396 1.00 0.35 H new ATOM 0 HB3 SER A 352 -3.274 10.782 -4.017 1.00 0.35 H new ATOM 0 HG SER A 352 -1.870 11.557 -5.697 1.00 1.27 H new ATOM 749 N LEU A 353 -3.969 8.363 -2.197 1.00 0.25 N ATOM 750 CA LEU A 353 -5.084 7.539 -1.734 1.00 0.24 C ATOM 751 C LEU A 353 -6.197 7.509 -2.774 1.00 0.23 C ATOM 752 O LEU A 353 -6.885 6.505 -2.936 1.00 0.23 O ATOM 753 CB LEU A 353 -5.631 8.060 -0.401 1.00 0.25 C ATOM 754 CG LEU A 353 -4.636 8.065 0.762 1.00 0.26 C ATOM 755 CD1 LEU A 353 -5.320 8.530 2.038 1.00 0.31 C ATOM 756 CD2 LEU A 353 -4.020 6.686 0.954 1.00 0.26 C ATOM 0 H LEU A 353 -3.764 9.169 -1.606 1.00 0.25 H new ATOM 0 HA LEU A 353 -4.712 6.525 -1.586 1.00 0.24 H new ATOM 0 HB2 LEU A 353 -5.995 9.077 -0.550 1.00 0.25 H new ATOM 0 HB3 LEU A 353 -6.491 7.452 -0.118 1.00 0.25 H new ATOM 0 HG LEU A 353 -3.832 8.762 0.525 1.00 0.26 H new ATOM 0 HD11 LEU A 353 -4.601 8.529 2.857 1.00 0.31 H new ATOM 0 HD12 LEU A 353 -5.707 9.539 1.896 1.00 0.31 H new ATOM 0 HD13 LEU A 353 -6.143 7.856 2.276 1.00 0.31 H new ATOM 0 HD21 LEU A 353 -3.316 6.714 1.786 1.00 0.26 H new ATOM 0 HD22 LEU A 353 -4.807 5.963 1.169 1.00 0.26 H new ATOM 0 HD23 LEU A 353 -3.495 6.392 0.045 1.00 0.26 H new ATOM 768 N THR A 354 -6.344 8.612 -3.491 1.00 0.26 N ATOM 769 CA THR A 354 -7.356 8.736 -4.527 1.00 0.28 C ATOM 770 C THR A 354 -7.017 7.895 -5.763 1.00 0.28 C ATOM 771 O THR A 354 -7.786 7.849 -6.718 1.00 0.35 O ATOM 772 CB THR A 354 -7.504 10.202 -4.970 1.00 0.36 C ATOM 773 OG1 THR A 354 -6.307 10.618 -5.644 1.00 0.44 O ATOM 774 CG2 THR A 354 -7.731 11.120 -3.779 1.00 0.42 C ATOM 0 H THR A 354 -5.767 9.444 -3.371 1.00 0.26 H new ATOM 0 HA THR A 354 -8.288 8.374 -4.094 1.00 0.28 H new ATOM 0 HB THR A 354 -8.366 10.267 -5.634 1.00 0.36 H new ATOM 0 HG1 THR A 354 -6.542 11.191 -6.403 1.00 0.44 H new ATOM 0 HG21 THR A 354 -7.831 12.148 -4.126 1.00 0.42 H new ATOM 0 HG22 THR A 354 -8.641 10.822 -3.258 1.00 0.42 H new ATOM 0 HG23 THR A 354 -6.883 11.048 -3.098 1.00 0.42 H new ATOM 782 N ASN A 355 -5.855 7.254 -5.763 1.00 0.26 N ATOM 783 CA ASN A 355 -5.444 6.450 -6.911 1.00 0.30 C ATOM 784 C ASN A 355 -5.549 4.971 -6.587 1.00 0.28 C ATOM 785 O ASN A 355 -5.181 4.119 -7.394 1.00 0.33 O ATOM 786 CB ASN A 355 -4.013 6.783 -7.347 1.00 0.37 C ATOM 787 CG ASN A 355 -3.840 8.231 -7.762 1.00 0.49 C ATOM 788 OD1 ASN A 355 -4.794 8.901 -8.159 1.00 0.83 O ATOM 789 ND2 ASN A 355 -2.611 8.720 -7.694 1.00 0.66 N ATOM 0 H ASN A 355 -5.187 7.273 -4.993 1.00 0.26 H new ATOM 0 HA ASN A 355 -6.116 6.688 -7.735 1.00 0.30 H new ATOM 0 HB2 ASN A 355 -3.329 6.562 -6.528 1.00 0.37 H new ATOM 0 HB3 ASN A 355 -3.733 6.137 -8.179 1.00 0.37 H new ATOM 0 HD21 ASN A 355 -2.429 9.683 -7.976 1.00 0.66 H new ATOM 0 HD22 ASN A 355 -1.847 8.133 -7.360 1.00 0.66 H new ATOM 796 N ILE A 356 -6.051 4.672 -5.402 1.00 0.26 N ATOM 797 CA ILE A 356 -6.213 3.297 -4.973 1.00 0.28 C ATOM 798 C ILE A 356 -7.598 2.791 -5.356 1.00 0.28 C ATOM 799 O ILE A 356 -8.606 3.411 -5.024 1.00 0.38 O ATOM 800 CB ILE A 356 -6.012 3.152 -3.449 1.00 0.31 C ATOM 801 CG1 ILE A 356 -4.642 3.705 -3.040 1.00 0.33 C ATOM 802 CG2 ILE A 356 -6.143 1.693 -3.042 1.00 0.36 C ATOM 803 CD1 ILE A 356 -4.385 3.666 -1.550 1.00 0.38 C ATOM 0 H ILE A 356 -6.354 5.366 -4.719 1.00 0.26 H new ATOM 0 HA ILE A 356 -5.451 2.700 -5.475 1.00 0.28 H new ATOM 0 HB ILE A 356 -6.782 3.726 -2.934 1.00 0.31 H new ATOM 0 HG12 ILE A 356 -3.864 3.134 -3.548 1.00 0.33 H new ATOM 0 HG13 ILE A 356 -4.559 4.735 -3.386 1.00 0.33 H new ATOM 0 HG21 ILE A 356 -6.000 1.601 -1.965 1.00 0.36 H new ATOM 0 HG22 ILE A 356 -7.135 1.329 -3.308 1.00 0.36 H new ATOM 0 HG23 ILE A 356 -5.388 1.102 -3.560 1.00 0.36 H new ATOM 0 HD11 ILE A 356 -3.396 4.074 -1.341 1.00 0.38 H new ATOM 0 HD12 ILE A 356 -5.139 4.261 -1.035 1.00 0.38 H new ATOM 0 HD13 ILE A 356 -4.434 2.635 -1.199 1.00 0.38 H new ATOM 815 N LYS A 357 -7.646 1.677 -6.065 1.00 0.26 N ATOM 816 CA LYS A 357 -8.915 1.109 -6.494 1.00 0.30 C ATOM 817 C LYS A 357 -9.390 0.073 -5.481 1.00 0.31 C ATOM 818 O LYS A 357 -10.557 0.054 -5.083 1.00 0.45 O ATOM 819 CB LYS A 357 -8.761 0.464 -7.873 1.00 0.35 C ATOM 820 CG LYS A 357 -10.077 0.072 -8.522 1.00 0.46 C ATOM 821 CD LYS A 357 -9.847 -0.722 -9.797 1.00 0.60 C ATOM 822 CE LYS A 357 -11.146 -0.969 -10.547 1.00 0.79 C ATOM 823 NZ LYS A 357 -11.693 0.276 -11.147 1.00 1.75 N ATOM 0 H LYS A 357 -6.824 1.148 -6.356 1.00 0.26 H new ATOM 0 HA LYS A 357 -9.656 1.905 -6.559 1.00 0.30 H new ATOM 0 HB2 LYS A 357 -8.236 1.157 -8.530 1.00 0.35 H new ATOM 0 HB3 LYS A 357 -8.135 -0.423 -7.780 1.00 0.35 H new ATOM 0 HG2 LYS A 357 -10.668 -0.521 -7.823 1.00 0.46 H new ATOM 0 HG3 LYS A 357 -10.655 0.968 -8.748 1.00 0.46 H new ATOM 0 HD2 LYS A 357 -9.152 -0.183 -10.441 1.00 0.60 H new ATOM 0 HD3 LYS A 357 -9.381 -1.676 -9.552 1.00 0.60 H new ATOM 0 HE2 LYS A 357 -10.976 -1.705 -11.333 1.00 0.79 H new ATOM 0 HE3 LYS A 357 -11.882 -1.396 -9.865 1.00 0.79 H new ATOM 0 HZ1 LYS A 357 -12.468 0.036 -11.798 1.00 1.75 H new ATOM 0 HZ2 LYS A 357 -12.053 0.895 -10.393 1.00 1.75 H new ATOM 0 HZ3 LYS A 357 -10.941 0.769 -11.670 1.00 1.75 H new ATOM 837 N ARG A 358 -8.463 -0.779 -5.064 1.00 0.26 N ATOM 838 CA ARG A 358 -8.748 -1.862 -4.134 1.00 0.29 C ATOM 839 C ARG A 358 -7.448 -2.357 -3.522 1.00 0.28 C ATOM 840 O ARG A 358 -6.382 -2.173 -4.107 1.00 0.35 O ATOM 841 CB ARG A 358 -9.468 -3.009 -4.855 1.00 0.34 C ATOM 842 CG ARG A 358 -8.864 -3.356 -6.203 1.00 0.37 C ATOM 843 CD ARG A 358 -9.746 -4.320 -6.976 1.00 0.54 C ATOM 844 NE ARG A 358 -11.099 -3.793 -7.170 1.00 0.83 N ATOM 845 CZ ARG A 358 -11.868 -4.093 -8.214 1.00 1.19 C ATOM 846 NH1 ARG A 358 -11.403 -4.880 -9.176 1.00 1.46 N ATOM 847 NH2 ARG A 358 -13.098 -3.604 -8.301 1.00 1.75 N ATOM 0 H ARG A 358 -7.489 -0.738 -5.363 1.00 0.26 H new ATOM 0 HA ARG A 358 -9.400 -1.493 -3.343 1.00 0.29 H new ATOM 0 HB2 ARG A 358 -9.449 -3.894 -4.220 1.00 0.34 H new ATOM 0 HB3 ARG A 358 -10.515 -2.739 -4.994 1.00 0.34 H new ATOM 0 HG2 ARG A 358 -8.722 -2.445 -6.785 1.00 0.37 H new ATOM 0 HG3 ARG A 358 -7.879 -3.799 -6.058 1.00 0.37 H new ATOM 0 HD2 ARG A 358 -9.295 -4.525 -7.947 1.00 0.54 H new ATOM 0 HD3 ARG A 358 -9.800 -5.269 -6.443 1.00 0.54 H new ATOM 0 HE ARG A 358 -11.473 -3.159 -6.464 1.00 0.83 H new ATOM 0 HH11 ARG A 358 -10.456 -5.255 -9.115 1.00 1.46 H new ATOM 0 HH12 ARG A 358 -11.992 -5.110 -9.976 1.00 1.46 H new ATOM 0 HH21 ARG A 358 -13.458 -2.995 -7.566 1.00 1.75 H new ATOM 0 HH22 ARG A 358 -13.684 -3.837 -9.103 1.00 1.75 H new ATOM 861 N TRP A 359 -7.523 -2.957 -2.347 1.00 0.25 N ATOM 862 CA TRP A 359 -6.334 -3.505 -1.717 1.00 0.27 C ATOM 863 C TRP A 359 -6.631 -4.835 -1.035 1.00 0.28 C ATOM 864 O TRP A 359 -7.771 -5.110 -0.645 1.00 0.36 O ATOM 865 CB TRP A 359 -5.727 -2.507 -0.719 1.00 0.28 C ATOM 866 CG TRP A 359 -6.649 -2.089 0.389 1.00 0.27 C ATOM 867 CD1 TRP A 359 -6.923 -2.783 1.530 1.00 0.36 C ATOM 868 CD2 TRP A 359 -7.401 -0.873 0.471 1.00 0.25 C ATOM 869 NE1 TRP A 359 -7.802 -2.077 2.313 1.00 0.35 N ATOM 870 CE2 TRP A 359 -8.111 -0.901 1.684 1.00 0.29 C ATOM 871 CE3 TRP A 359 -7.546 0.235 -0.364 1.00 0.32 C ATOM 872 CZ2 TRP A 359 -8.949 0.136 2.083 1.00 0.33 C ATOM 873 CZ3 TRP A 359 -8.378 1.264 0.031 1.00 0.40 C ATOM 874 CH2 TRP A 359 -9.071 1.208 1.245 1.00 0.39 C ATOM 0 H TRP A 359 -8.385 -3.077 -1.814 1.00 0.25 H new ATOM 0 HA TRP A 359 -5.601 -3.687 -2.503 1.00 0.27 H new ATOM 0 HB2 TRP A 359 -4.833 -2.950 -0.281 1.00 0.28 H new ATOM 0 HB3 TRP A 359 -5.409 -1.618 -1.263 1.00 0.28 H new ATOM 0 HD1 TRP A 359 -6.509 -3.748 1.781 1.00 0.36 H new ATOM 0 HE1 TRP A 359 -8.166 -2.379 3.217 1.00 0.35 H new ATOM 0 HE3 TRP A 359 -7.016 0.287 -1.304 1.00 0.32 H new ATOM 0 HZ2 TRP A 359 -9.483 0.095 3.021 1.00 0.33 H new ATOM 0 HZ3 TRP A 359 -8.496 2.127 -0.608 1.00 0.40 H new ATOM 0 HH2 TRP A 359 -9.715 2.028 1.525 1.00 0.39 H new ATOM 885 N ALA A 360 -5.601 -5.657 -0.910 1.00 0.25 N ATOM 886 CA ALA A 360 -5.717 -6.955 -0.263 1.00 0.27 C ATOM 887 C ALA A 360 -4.852 -7.010 0.985 1.00 0.25 C ATOM 888 O ALA A 360 -3.628 -6.877 0.915 1.00 0.31 O ATOM 889 CB ALA A 360 -5.342 -8.070 -1.229 1.00 0.31 C ATOM 0 H ALA A 360 -4.664 -5.445 -1.253 1.00 0.25 H new ATOM 0 HA ALA A 360 -6.755 -7.098 0.036 1.00 0.27 H new ATOM 0 HB1 ALA A 360 -5.435 -9.033 -0.727 1.00 0.31 H new ATOM 0 HB2 ALA A 360 -6.009 -8.044 -2.091 1.00 0.31 H new ATOM 0 HB3 ALA A 360 -4.313 -7.932 -1.562 1.00 0.31 H new ATOM 895 N ALA A 361 -5.501 -7.198 2.122 1.00 0.26 N ATOM 896 CA ALA A 361 -4.817 -7.214 3.404 1.00 0.27 C ATOM 897 C ALA A 361 -4.643 -8.634 3.918 1.00 0.25 C ATOM 898 O ALA A 361 -5.620 -9.317 4.222 1.00 0.38 O ATOM 899 CB ALA A 361 -5.589 -6.388 4.418 1.00 0.35 C ATOM 0 H ALA A 361 -6.509 -7.343 2.183 1.00 0.26 H new ATOM 0 HA ALA A 361 -3.827 -6.780 3.263 1.00 0.27 H new ATOM 0 HB1 ALA A 361 -5.068 -6.407 5.375 1.00 0.35 H new ATOM 0 HB2 ALA A 361 -5.665 -5.359 4.067 1.00 0.35 H new ATOM 0 HB3 ALA A 361 -6.589 -6.805 4.541 1.00 0.35 H new ATOM 905 N SER A 362 -3.398 -9.071 4.006 1.00 0.32 N ATOM 906 CA SER A 362 -3.086 -10.387 4.527 1.00 0.40 C ATOM 907 C SER A 362 -2.165 -10.254 5.740 1.00 0.42 C ATOM 908 O SER A 362 -1.522 -9.220 5.927 1.00 0.44 O ATOM 909 CB SER A 362 -2.411 -11.233 3.444 1.00 0.47 C ATOM 910 OG SER A 362 -3.130 -11.177 2.224 1.00 1.00 O ATOM 0 H SER A 362 -2.583 -8.528 3.721 1.00 0.32 H new ATOM 0 HA SER A 362 -4.009 -10.880 4.832 1.00 0.40 H new ATOM 0 HB2 SER A 362 -1.393 -10.879 3.285 1.00 0.47 H new ATOM 0 HB3 SER A 362 -2.340 -12.268 3.779 1.00 0.47 H new ATOM 0 HG SER A 362 -2.675 -11.725 1.551 1.00 1.00 H new ATOM 916 N PRO A 363 -2.098 -11.286 6.593 1.00 0.46 N ATOM 917 CA PRO A 363 -1.187 -11.294 7.739 1.00 0.48 C ATOM 918 C PRO A 363 0.248 -11.627 7.334 1.00 0.45 C ATOM 919 O PRO A 363 1.160 -11.591 8.158 1.00 0.66 O ATOM 920 CB PRO A 363 -1.760 -12.396 8.625 1.00 0.58 C ATOM 921 CG PRO A 363 -2.405 -13.343 7.673 1.00 0.60 C ATOM 922 CD PRO A 363 -2.921 -12.509 6.530 1.00 0.53 C ATOM 0 HA PRO A 363 -1.126 -10.321 8.225 1.00 0.48 H new ATOM 0 HB2 PRO A 363 -0.978 -12.887 9.204 1.00 0.58 H new ATOM 0 HB3 PRO A 363 -2.482 -11.997 9.338 1.00 0.58 H new ATOM 0 HG2 PRO A 363 -1.690 -14.086 7.320 1.00 0.60 H new ATOM 0 HG3 PRO A 363 -3.218 -13.886 8.156 1.00 0.60 H new ATOM 0 HD2 PRO A 363 -2.805 -13.022 5.575 1.00 0.53 H new ATOM 0 HD3 PRO A 363 -3.982 -12.285 6.644 1.00 0.53 H new ATOM 930 N LYS A 364 0.433 -11.959 6.061 1.00 0.44 N ATOM 931 CA LYS A 364 1.747 -12.311 5.542 1.00 0.44 C ATOM 932 C LYS A 364 2.112 -11.444 4.335 1.00 0.37 C ATOM 933 O LYS A 364 3.280 -11.333 3.966 1.00 0.40 O ATOM 934 CB LYS A 364 1.768 -13.794 5.154 1.00 0.56 C ATOM 935 CG LYS A 364 3.111 -14.281 4.634 1.00 0.72 C ATOM 936 CD LYS A 364 3.054 -15.743 4.226 1.00 0.98 C ATOM 937 CE LYS A 364 4.373 -16.205 3.631 1.00 1.26 C ATOM 938 NZ LYS A 364 4.339 -17.638 3.238 1.00 2.08 N ATOM 0 H LYS A 364 -0.315 -11.991 5.368 1.00 0.44 H new ATOM 0 HA LYS A 364 2.487 -12.130 6.322 1.00 0.44 H new ATOM 0 HB2 LYS A 364 1.489 -14.390 6.023 1.00 0.56 H new ATOM 0 HB3 LYS A 364 1.010 -13.970 4.391 1.00 0.56 H new ATOM 0 HG2 LYS A 364 3.413 -13.675 3.779 1.00 0.72 H new ATOM 0 HG3 LYS A 364 3.871 -14.147 5.404 1.00 0.72 H new ATOM 0 HD2 LYS A 364 2.811 -16.355 5.094 1.00 0.98 H new ATOM 0 HD3 LYS A 364 2.255 -15.888 3.499 1.00 0.98 H new ATOM 0 HE2 LYS A 364 4.609 -15.596 2.758 1.00 1.26 H new ATOM 0 HE3 LYS A 364 5.172 -16.047 4.356 1.00 1.26 H new ATOM 0 HZ1 LYS A 364 5.259 -17.910 2.837 1.00 2.08 H new ATOM 0 HZ2 LYS A 364 4.139 -18.223 4.075 1.00 2.08 H new ATOM 0 HZ3 LYS A 364 3.595 -17.785 2.527 1.00 2.08 H new ATOM 952 N SER A 365 1.117 -10.808 3.734 1.00 0.35 N ATOM 953 CA SER A 365 1.344 -10.005 2.543 1.00 0.34 C ATOM 954 C SER A 365 0.341 -8.857 2.447 1.00 0.32 C ATOM 955 O SER A 365 -0.608 -8.778 3.225 1.00 0.52 O ATOM 956 CB SER A 365 1.261 -10.893 1.296 1.00 0.40 C ATOM 957 OG SER A 365 0.078 -11.679 1.305 1.00 1.32 O ATOM 0 H SER A 365 0.148 -10.833 4.051 1.00 0.35 H new ATOM 0 HA SER A 365 2.341 -9.568 2.609 1.00 0.34 H new ATOM 0 HB2 SER A 365 1.281 -10.271 0.401 1.00 0.40 H new ATOM 0 HB3 SER A 365 2.134 -11.545 1.251 1.00 0.40 H new ATOM 0 HG SER A 365 0.048 -12.235 0.498 1.00 1.32 H new ATOM 963 N PHE A 366 0.572 -7.964 1.502 1.00 0.19 N ATOM 964 CA PHE A 366 -0.328 -6.855 1.248 1.00 0.16 C ATOM 965 C PHE A 366 -0.269 -6.497 -0.230 1.00 0.16 C ATOM 966 O PHE A 366 0.787 -6.600 -0.854 1.00 0.28 O ATOM 967 CB PHE A 366 0.052 -5.649 2.112 1.00 0.19 C ATOM 968 CG PHE A 366 -0.886 -4.484 1.976 1.00 0.20 C ATOM 969 CD1 PHE A 366 -2.166 -4.543 2.504 1.00 0.23 C ATOM 970 CD2 PHE A 366 -0.488 -3.331 1.322 1.00 0.25 C ATOM 971 CE1 PHE A 366 -3.030 -3.475 2.379 1.00 0.28 C ATOM 972 CE2 PHE A 366 -1.349 -2.260 1.196 1.00 0.29 C ATOM 973 CZ PHE A 366 -2.622 -2.332 1.725 1.00 0.30 C ATOM 0 H PHE A 366 1.388 -7.987 0.890 1.00 0.19 H new ATOM 0 HA PHE A 366 -1.346 -7.145 1.508 1.00 0.16 H new ATOM 0 HB2 PHE A 366 0.083 -5.958 3.157 1.00 0.19 H new ATOM 0 HB3 PHE A 366 1.058 -5.326 1.845 1.00 0.19 H new ATOM 0 HD1 PHE A 366 -2.491 -5.435 3.019 1.00 0.23 H new ATOM 0 HD2 PHE A 366 0.507 -3.269 0.906 1.00 0.25 H new ATOM 0 HE1 PHE A 366 -4.026 -3.534 2.793 1.00 0.28 H new ATOM 0 HE2 PHE A 366 -1.027 -1.366 0.684 1.00 0.29 H new ATOM 0 HZ PHE A 366 -3.297 -1.495 1.627 1.00 0.30 H new ATOM 983 N THR A 367 -1.395 -6.110 -0.799 1.00 0.17 N ATOM 984 CA THR A 367 -1.448 -5.793 -2.216 1.00 0.19 C ATOM 985 C THR A 367 -2.257 -4.526 -2.477 1.00 0.19 C ATOM 986 O THR A 367 -3.392 -4.402 -2.023 1.00 0.27 O ATOM 987 CB THR A 367 -2.051 -6.967 -3.013 1.00 0.26 C ATOM 988 OG1 THR A 367 -1.334 -8.172 -2.705 1.00 0.34 O ATOM 989 CG2 THR A 367 -1.987 -6.706 -4.511 1.00 0.32 C ATOM 0 H THR A 367 -2.282 -6.007 -0.306 1.00 0.17 H new ATOM 0 HA THR A 367 -0.424 -5.620 -2.548 1.00 0.19 H new ATOM 0 HB THR A 367 -3.098 -7.072 -2.729 1.00 0.26 H new ATOM 0 HG1 THR A 367 -1.718 -8.919 -3.210 1.00 0.34 H new ATOM 0 HG21 THR A 367 -2.419 -7.551 -5.046 1.00 0.32 H new ATOM 0 HG22 THR A 367 -2.548 -5.802 -4.747 1.00 0.32 H new ATOM 0 HG23 THR A 367 -0.948 -6.578 -4.814 1.00 0.32 H new ATOM 997 N LEU A 368 -1.652 -3.584 -3.190 1.00 0.20 N ATOM 998 CA LEU A 368 -2.333 -2.365 -3.604 1.00 0.22 C ATOM 999 C LEU A 368 -2.641 -2.411 -5.095 1.00 0.23 C ATOM 1000 O LEU A 368 -1.730 -2.508 -5.921 1.00 0.33 O ATOM 1001 CB LEU A 368 -1.479 -1.133 -3.295 1.00 0.24 C ATOM 1002 CG LEU A 368 -1.438 -0.711 -1.828 1.00 0.25 C ATOM 1003 CD1 LEU A 368 -0.441 0.420 -1.631 1.00 0.29 C ATOM 1004 CD2 LEU A 368 -2.822 -0.285 -1.361 1.00 0.25 C ATOM 0 H LEU A 368 -0.681 -3.643 -3.496 1.00 0.20 H new ATOM 0 HA LEU A 368 -3.266 -2.294 -3.045 1.00 0.22 H new ATOM 0 HB2 LEU A 368 -0.459 -1.327 -3.628 1.00 0.24 H new ATOM 0 HB3 LEU A 368 -1.853 -0.296 -3.885 1.00 0.24 H new ATOM 0 HG LEU A 368 -1.118 -1.564 -1.230 1.00 0.25 H new ATOM 0 HD11 LEU A 368 -0.423 0.710 -0.580 1.00 0.29 H new ATOM 0 HD12 LEU A 368 0.552 0.086 -1.933 1.00 0.29 H new ATOM 0 HD13 LEU A 368 -0.736 1.275 -2.239 1.00 0.29 H new ATOM 0 HD21 LEU A 368 -2.777 0.013 -0.313 1.00 0.25 H new ATOM 0 HD22 LEU A 368 -3.166 0.556 -1.963 1.00 0.25 H new ATOM 0 HD23 LEU A 368 -3.516 -1.118 -1.472 1.00 0.25 H new ATOM 1016 N ASP A 369 -3.920 -2.355 -5.431 1.00 0.21 N ATOM 1017 CA ASP A 369 -4.354 -2.342 -6.822 1.00 0.24 C ATOM 1018 C ASP A 369 -4.776 -0.940 -7.228 1.00 0.21 C ATOM 1019 O ASP A 369 -5.691 -0.358 -6.640 1.00 0.22 O ATOM 1020 CB ASP A 369 -5.511 -3.316 -7.042 1.00 0.31 C ATOM 1021 CG ASP A 369 -5.053 -4.755 -7.161 1.00 0.99 C ATOM 1022 OD1 ASP A 369 -4.418 -5.257 -6.206 1.00 1.47 O ATOM 1023 OD2 ASP A 369 -5.310 -5.384 -8.203 1.00 1.52 O ATOM 0 H ASP A 369 -4.682 -2.317 -4.754 1.00 0.21 H new ATOM 0 HA ASP A 369 -3.514 -2.657 -7.441 1.00 0.24 H new ATOM 0 HB2 ASP A 369 -6.214 -3.231 -6.213 1.00 0.31 H new ATOM 0 HB3 ASP A 369 -6.049 -3.035 -7.947 1.00 0.31 H new ATOM 1028 N PHE A 370 -4.109 -0.401 -8.236 1.00 0.25 N ATOM 1029 CA PHE A 370 -4.355 0.968 -8.665 1.00 0.26 C ATOM 1030 C PHE A 370 -5.237 1.007 -9.907 1.00 0.31 C ATOM 1031 O PHE A 370 -5.407 2.055 -10.526 1.00 0.35 O ATOM 1032 CB PHE A 370 -3.024 1.673 -8.928 1.00 0.31 C ATOM 1033 CG PHE A 370 -2.099 1.624 -7.745 1.00 0.32 C ATOM 1034 CD1 PHE A 370 -2.282 2.479 -6.671 1.00 0.35 C ATOM 1035 CD2 PHE A 370 -1.057 0.711 -7.701 1.00 0.37 C ATOM 1036 CE1 PHE A 370 -1.445 2.425 -5.575 1.00 0.41 C ATOM 1037 CE2 PHE A 370 -0.214 0.654 -6.609 1.00 0.42 C ATOM 1038 CZ PHE A 370 -0.408 1.511 -5.544 1.00 0.44 C ATOM 0 H PHE A 370 -3.393 -0.890 -8.773 1.00 0.25 H new ATOM 0 HA PHE A 370 -4.885 1.490 -7.868 1.00 0.26 H new ATOM 0 HB2 PHE A 370 -2.536 1.210 -9.786 1.00 0.31 H new ATOM 0 HB3 PHE A 370 -3.214 2.713 -9.193 1.00 0.31 H new ATOM 0 HD1 PHE A 370 -3.089 3.196 -6.691 1.00 0.35 H new ATOM 0 HD2 PHE A 370 -0.903 0.037 -8.530 1.00 0.37 H new ATOM 0 HE1 PHE A 370 -1.600 3.096 -4.743 1.00 0.41 H new ATOM 0 HE2 PHE A 370 0.596 -0.060 -6.588 1.00 0.42 H new ATOM 0 HZ PHE A 370 0.249 1.467 -4.688 1.00 0.44 H new ATOM 1048 N GLY A 371 -5.793 -0.145 -10.262 1.00 0.40 N ATOM 1049 CA GLY A 371 -6.711 -0.223 -11.384 1.00 0.50 C ATOM 1050 C GLY A 371 -6.071 0.169 -12.699 1.00 0.49 C ATOM 1051 O GLY A 371 -5.213 -0.543 -13.220 1.00 0.58 O ATOM 0 H GLY A 371 -5.623 -1.033 -9.789 1.00 0.40 H new ATOM 0 HA2 GLY A 371 -7.095 -1.240 -11.462 1.00 0.50 H new ATOM 0 HA3 GLY A 371 -7.565 0.427 -11.194 1.00 0.50 H new ATOM 1055 N ASP A 372 -6.473 1.318 -13.218 1.00 0.49 N ATOM 1056 CA ASP A 372 -5.997 1.794 -14.510 1.00 0.56 C ATOM 1057 C ASP A 372 -5.077 2.989 -14.334 1.00 0.55 C ATOM 1058 O ASP A 372 -4.910 3.800 -15.241 1.00 0.72 O ATOM 1059 CB ASP A 372 -7.173 2.171 -15.413 1.00 0.71 C ATOM 1060 CG ASP A 372 -7.952 0.963 -15.880 1.00 1.57 C ATOM 1061 OD1 ASP A 372 -7.443 0.211 -16.739 1.00 1.89 O ATOM 1062 OD2 ASP A 372 -9.081 0.755 -15.390 1.00 2.38 O ATOM 0 H ASP A 372 -7.135 1.945 -12.760 1.00 0.49 H new ATOM 0 HA ASP A 372 -5.437 0.986 -14.982 1.00 0.56 H new ATOM 0 HB2 ASP A 372 -7.840 2.844 -14.874 1.00 0.71 H new ATOM 0 HB3 ASP A 372 -6.801 2.717 -16.280 1.00 0.71 H new ATOM 1067 N TYR A 373 -4.464 3.079 -13.166 1.00 0.52 N ATOM 1068 CA TYR A 373 -3.510 4.142 -12.885 1.00 0.51 C ATOM 1069 C TYR A 373 -2.129 3.734 -13.388 1.00 0.52 C ATOM 1070 O TYR A 373 -1.327 4.574 -13.794 1.00 0.60 O ATOM 1071 CB TYR A 373 -3.483 4.435 -11.379 1.00 0.50 C ATOM 1072 CG TYR A 373 -2.390 5.383 -10.943 1.00 0.51 C ATOM 1073 CD1 TYR A 373 -2.467 6.744 -11.214 1.00 0.56 C ATOM 1074 CD2 TYR A 373 -1.281 4.915 -10.252 1.00 0.56 C ATOM 1075 CE1 TYR A 373 -1.468 7.609 -10.808 1.00 0.64 C ATOM 1076 CE2 TYR A 373 -0.282 5.771 -9.845 1.00 0.64 C ATOM 1077 CZ TYR A 373 -0.377 7.115 -10.124 1.00 0.67 C ATOM 1078 OH TYR A 373 0.622 7.968 -9.712 1.00 0.79 O ATOM 0 H TYR A 373 -4.609 2.428 -12.394 1.00 0.52 H new ATOM 0 HA TYR A 373 -3.812 5.052 -13.403 1.00 0.51 H new ATOM 0 HB2 TYR A 373 -4.446 4.852 -11.086 1.00 0.50 H new ATOM 0 HB3 TYR A 373 -3.366 3.494 -10.841 1.00 0.50 H new ATOM 0 HD1 TYR A 373 -3.321 7.132 -11.750 1.00 0.56 H new ATOM 0 HD2 TYR A 373 -1.200 3.861 -10.030 1.00 0.56 H new ATOM 0 HE1 TYR A 373 -1.541 8.664 -11.025 1.00 0.64 H new ATOM 0 HE2 TYR A 373 0.574 5.388 -9.308 1.00 0.64 H new ATOM 0 HH TYR A 373 1.315 7.458 -9.244 1.00 0.79 H new ATOM 1088 N GLN A 374 -1.874 2.434 -13.381 1.00 0.53 N ATOM 1089 CA GLN A 374 -0.643 1.881 -13.924 1.00 0.59 C ATOM 1090 C GLN A 374 -0.803 0.385 -14.145 1.00 0.60 C ATOM 1091 O GLN A 374 -1.623 -0.260 -13.487 1.00 0.59 O ATOM 1092 CB GLN A 374 0.555 2.157 -13.004 1.00 0.63 C ATOM 1093 CG GLN A 374 0.378 1.662 -11.576 1.00 0.59 C ATOM 1094 CD GLN A 374 1.632 1.835 -10.736 1.00 0.69 C ATOM 1095 OE1 GLN A 374 1.558 2.060 -9.531 1.00 1.09 O ATOM 1096 NE2 GLN A 374 2.794 1.723 -11.366 1.00 0.85 N ATOM 0 H GLN A 374 -2.512 1.735 -13.000 1.00 0.53 H new ATOM 0 HA GLN A 374 -0.445 2.370 -14.878 1.00 0.59 H new ATOM 0 HB2 GLN A 374 1.441 1.688 -13.431 1.00 0.63 H new ATOM 0 HB3 GLN A 374 0.742 3.231 -12.983 1.00 0.63 H new ATOM 0 HG2 GLN A 374 -0.445 2.202 -11.108 1.00 0.59 H new ATOM 0 HG3 GLN A 374 0.099 0.608 -11.593 1.00 0.59 H new ATOM 0 HE21 GLN A 374 2.815 1.536 -12.368 1.00 0.85 H new ATOM 0 HE22 GLN A 374 3.667 1.824 -10.848 1.00 0.85 H new ATOM 1105 N ASP A 375 -0.045 -0.158 -15.087 1.00 0.74 N ATOM 1106 CA ASP A 375 -0.073 -1.591 -15.344 1.00 0.78 C ATOM 1107 C ASP A 375 0.837 -2.308 -14.360 1.00 0.64 C ATOM 1108 O ASP A 375 2.042 -2.047 -14.308 1.00 0.73 O ATOM 1109 CB ASP A 375 0.352 -1.908 -16.779 1.00 1.06 C ATOM 1110 CG ASP A 375 0.250 -3.391 -17.089 1.00 1.71 C ATOM 1111 OD1 ASP A 375 -0.868 -3.870 -17.376 1.00 2.21 O ATOM 1112 OD2 ASP A 375 1.289 -4.085 -17.043 1.00 2.30 O ATOM 0 H ASP A 375 0.594 0.368 -15.683 1.00 0.74 H new ATOM 0 HA ASP A 375 -1.097 -1.940 -15.213 1.00 0.78 H new ATOM 0 HB2 ASP A 375 -0.274 -1.349 -17.474 1.00 1.06 H new ATOM 0 HB3 ASP A 375 1.378 -1.575 -16.935 1.00 1.06 H new ATOM 1117 N GLY A 376 0.258 -3.201 -13.581 1.00 0.57 N ATOM 1118 CA GLY A 376 1.002 -3.855 -12.531 1.00 0.53 C ATOM 1119 C GLY A 376 0.686 -3.245 -11.186 1.00 0.52 C ATOM 1120 O GLY A 376 0.541 -2.028 -11.071 1.00 0.70 O ATOM 0 H GLY A 376 -0.718 -3.486 -13.657 1.00 0.57 H new ATOM 0 HA2 GLY A 376 0.762 -4.918 -12.518 1.00 0.53 H new ATOM 0 HA3 GLY A 376 2.070 -3.772 -12.731 1.00 0.53 H new ATOM 1124 N TYR A 377 0.560 -4.082 -10.174 1.00 0.46 N ATOM 1125 CA TYR A 377 0.140 -3.617 -8.863 1.00 0.46 C ATOM 1126 C TYR A 377 1.308 -3.611 -7.889 1.00 0.37 C ATOM 1127 O TYR A 377 2.464 -3.785 -8.284 1.00 0.38 O ATOM 1128 CB TYR A 377 -0.986 -4.506 -8.336 1.00 0.53 C ATOM 1129 CG TYR A 377 -2.078 -4.743 -9.352 1.00 0.63 C ATOM 1130 CD1 TYR A 377 -2.868 -3.698 -9.814 1.00 0.83 C ATOM 1131 CD2 TYR A 377 -2.310 -6.014 -9.854 1.00 0.64 C ATOM 1132 CE1 TYR A 377 -3.861 -3.917 -10.748 1.00 0.97 C ATOM 1133 CE2 TYR A 377 -3.299 -6.241 -10.785 1.00 0.76 C ATOM 1134 CZ TYR A 377 -4.072 -5.193 -11.229 1.00 0.91 C ATOM 1135 OH TYR A 377 -5.059 -5.424 -12.159 1.00 1.06 O ATOM 0 H TYR A 377 0.741 -5.084 -10.232 1.00 0.46 H new ATOM 0 HA TYR A 377 -0.225 -2.594 -8.958 1.00 0.46 H new ATOM 0 HB2 TYR A 377 -0.570 -5.465 -8.028 1.00 0.53 H new ATOM 0 HB3 TYR A 377 -1.418 -4.046 -7.447 1.00 0.53 H new ATOM 0 HD1 TYR A 377 -2.703 -2.699 -9.437 1.00 0.83 H new ATOM 0 HD2 TYR A 377 -1.705 -6.840 -9.509 1.00 0.64 H new ATOM 0 HE1 TYR A 377 -4.468 -3.096 -11.099 1.00 0.97 H new ATOM 0 HE2 TYR A 377 -3.467 -7.238 -11.165 1.00 0.76 H new ATOM 0 HH TYR A 377 -5.073 -6.376 -12.392 1.00 1.06 H new ATOM 1145 N TYR A 378 0.999 -3.423 -6.617 1.00 0.32 N ATOM 1146 CA TYR A 378 2.018 -3.365 -5.588 1.00 0.29 C ATOM 1147 C TYR A 378 1.775 -4.457 -4.553 1.00 0.24 C ATOM 1148 O TYR A 378 0.966 -4.298 -3.639 1.00 0.26 O ATOM 1149 CB TYR A 378 2.014 -1.980 -4.929 1.00 0.31 C ATOM 1150 CG TYR A 378 3.161 -1.745 -3.973 1.00 0.32 C ATOM 1151 CD1 TYR A 378 4.472 -1.968 -4.370 1.00 0.36 C ATOM 1152 CD2 TYR A 378 2.935 -1.288 -2.682 1.00 0.37 C ATOM 1153 CE1 TYR A 378 5.527 -1.746 -3.507 1.00 0.41 C ATOM 1154 CE2 TYR A 378 3.985 -1.062 -1.812 1.00 0.40 C ATOM 1155 CZ TYR A 378 5.279 -1.294 -2.230 1.00 0.41 C ATOM 1156 OH TYR A 378 6.330 -1.067 -1.370 1.00 0.47 O ATOM 0 H TYR A 378 0.046 -3.308 -6.273 1.00 0.32 H new ATOM 0 HA TYR A 378 2.996 -3.531 -6.039 1.00 0.29 H new ATOM 0 HB2 TYR A 378 2.044 -1.219 -5.709 1.00 0.31 H new ATOM 0 HB3 TYR A 378 1.075 -1.849 -4.391 1.00 0.31 H new ATOM 0 HD1 TYR A 378 4.671 -2.321 -5.371 1.00 0.36 H new ATOM 0 HD2 TYR A 378 1.923 -1.106 -2.352 1.00 0.37 H new ATOM 0 HE1 TYR A 378 6.541 -1.926 -3.832 1.00 0.41 H new ATOM 0 HE2 TYR A 378 3.793 -0.706 -0.811 1.00 0.40 H new ATOM 0 HH TYR A 378 7.140 -0.873 -1.887 1.00 0.47 H new ATOM 1166 N SER A 379 2.443 -5.586 -4.737 1.00 0.26 N ATOM 1167 CA SER A 379 2.313 -6.714 -3.830 1.00 0.27 C ATOM 1168 C SER A 379 3.569 -6.860 -2.977 1.00 0.24 C ATOM 1169 O SER A 379 4.672 -7.052 -3.495 1.00 0.29 O ATOM 1170 CB SER A 379 2.056 -7.994 -4.628 1.00 0.36 C ATOM 1171 OG SER A 379 0.971 -7.818 -5.525 1.00 1.06 O ATOM 0 H SER A 379 3.085 -5.745 -5.513 1.00 0.26 H new ATOM 0 HA SER A 379 1.468 -6.537 -3.165 1.00 0.27 H new ATOM 0 HB2 SER A 379 2.953 -8.268 -5.184 1.00 0.36 H new ATOM 0 HB3 SER A 379 1.840 -8.816 -3.946 1.00 0.36 H new ATOM 0 HG SER A 379 0.824 -8.647 -6.027 1.00 1.06 H new ATOM 1177 N VAL A 380 3.399 -6.754 -1.670 1.00 0.22 N ATOM 1178 CA VAL A 380 4.516 -6.831 -0.746 1.00 0.24 C ATOM 1179 C VAL A 380 4.281 -7.905 0.304 1.00 0.23 C ATOM 1180 O VAL A 380 3.140 -8.262 0.595 1.00 0.30 O ATOM 1181 CB VAL A 380 4.755 -5.484 -0.032 1.00 0.27 C ATOM 1182 CG1 VAL A 380 5.187 -4.421 -1.022 1.00 0.33 C ATOM 1183 CG2 VAL A 380 3.507 -5.034 0.716 1.00 0.29 C ATOM 0 H VAL A 380 2.493 -6.614 -1.224 1.00 0.22 H new ATOM 0 HA VAL A 380 5.396 -7.082 -1.338 1.00 0.24 H new ATOM 0 HB VAL A 380 5.555 -5.628 0.694 1.00 0.27 H new ATOM 0 HG11 VAL A 380 5.350 -3.480 -0.497 1.00 0.33 H new ATOM 0 HG12 VAL A 380 6.112 -4.731 -1.508 1.00 0.33 H new ATOM 0 HG13 VAL A 380 4.410 -4.287 -1.774 1.00 0.33 H new ATOM 0 HG21 VAL A 380 3.702 -4.082 1.210 1.00 0.29 H new ATOM 0 HG22 VAL A 380 2.684 -4.915 0.012 1.00 0.29 H new ATOM 0 HG23 VAL A 380 3.240 -5.782 1.462 1.00 0.29 H new ATOM 1193 N GLN A 381 5.362 -8.427 0.853 1.00 0.22 N ATOM 1194 CA GLN A 381 5.278 -9.345 1.974 1.00 0.24 C ATOM 1195 C GLN A 381 5.417 -8.556 3.264 1.00 0.24 C ATOM 1196 O GLN A 381 6.343 -7.758 3.407 1.00 0.32 O ATOM 1197 CB GLN A 381 6.368 -10.412 1.875 1.00 0.34 C ATOM 1198 CG GLN A 381 6.358 -11.409 3.021 1.00 0.43 C ATOM 1199 CD GLN A 381 7.424 -12.475 2.877 1.00 0.72 C ATOM 1200 OE1 GLN A 381 8.482 -12.243 2.295 1.00 1.47 O ATOM 1201 NE2 GLN A 381 7.158 -13.650 3.416 1.00 0.94 N ATOM 0 H GLN A 381 6.312 -8.230 0.539 1.00 0.22 H new ATOM 0 HA GLN A 381 4.314 -9.853 1.960 1.00 0.24 H new ATOM 0 HB2 GLN A 381 6.250 -10.952 0.935 1.00 0.34 H new ATOM 0 HB3 GLN A 381 7.341 -9.922 1.841 1.00 0.34 H new ATOM 0 HG2 GLN A 381 6.506 -10.877 3.961 1.00 0.43 H new ATOM 0 HG3 GLN A 381 5.379 -11.885 3.075 1.00 0.43 H new ATOM 0 HE21 GLN A 381 6.268 -13.804 3.891 1.00 0.94 H new ATOM 0 HE22 GLN A 381 7.842 -14.404 3.358 1.00 0.94 H new ATOM 1210 N THR A 382 4.491 -8.754 4.187 1.00 0.21 N ATOM 1211 CA THR A 382 4.481 -7.993 5.423 1.00 0.26 C ATOM 1212 C THR A 382 3.496 -8.584 6.420 1.00 0.25 C ATOM 1213 O THR A 382 2.386 -8.981 6.063 1.00 0.30 O ATOM 1214 CB THR A 382 4.130 -6.507 5.172 1.00 0.30 C ATOM 1215 OG1 THR A 382 4.039 -5.801 6.417 1.00 0.42 O ATOM 1216 CG2 THR A 382 2.820 -6.366 4.409 1.00 0.28 C ATOM 0 H THR A 382 3.737 -9.435 4.103 1.00 0.21 H new ATOM 0 HA THR A 382 5.487 -8.048 5.839 1.00 0.26 H new ATOM 0 HB THR A 382 4.928 -6.077 4.566 1.00 0.30 H new ATOM 0 HG1 THR A 382 3.818 -4.862 6.245 1.00 0.42 H new ATOM 0 HG21 THR A 382 2.604 -5.310 4.250 1.00 0.28 H new ATOM 0 HG22 THR A 382 2.904 -6.868 3.445 1.00 0.28 H new ATOM 0 HG23 THR A 382 2.013 -6.819 4.985 1.00 0.28 H new ATOM 1224 N THR A 383 3.908 -8.639 7.674 1.00 0.31 N ATOM 1225 CA THR A 383 3.054 -9.131 8.734 1.00 0.37 C ATOM 1226 C THR A 383 2.111 -8.036 9.226 1.00 0.36 C ATOM 1227 O THR A 383 1.212 -8.283 10.028 1.00 0.46 O ATOM 1228 CB THR A 383 3.899 -9.671 9.901 1.00 0.50 C ATOM 1229 OG1 THR A 383 5.088 -8.879 10.053 1.00 0.55 O ATOM 1230 CG2 THR A 383 4.279 -11.126 9.667 1.00 0.55 C ATOM 0 H THR A 383 4.835 -8.346 7.982 1.00 0.31 H new ATOM 0 HA THR A 383 2.452 -9.946 8.332 1.00 0.37 H new ATOM 0 HB THR A 383 3.303 -9.610 10.811 1.00 0.50 H new ATOM 0 HG1 THR A 383 4.862 -8.030 10.487 1.00 0.55 H new ATOM 0 HG21 THR A 383 4.876 -11.485 10.505 1.00 0.55 H new ATOM 0 HG22 THR A 383 3.375 -11.729 9.580 1.00 0.55 H new ATOM 0 HG23 THR A 383 4.859 -11.207 8.747 1.00 0.55 H new ATOM 1238 N GLU A 384 2.310 -6.824 8.718 1.00 0.31 N ATOM 1239 CA GLU A 384 1.490 -5.687 9.109 1.00 0.35 C ATOM 1240 C GLU A 384 0.514 -5.323 7.996 1.00 0.28 C ATOM 1241 O GLU A 384 -0.065 -4.237 8.006 1.00 0.27 O ATOM 1242 CB GLU A 384 2.359 -4.469 9.453 1.00 0.46 C ATOM 1243 CG GLU A 384 3.245 -4.653 10.680 1.00 0.57 C ATOM 1244 CD GLU A 384 4.411 -5.584 10.434 1.00 0.90 C ATOM 1245 OE1 GLU A 384 5.195 -5.323 9.499 1.00 0.95 O ATOM 1246 OE2 GLU A 384 4.553 -6.578 11.173 1.00 1.39 O ATOM 0 H GLU A 384 3.034 -6.606 8.033 1.00 0.31 H new ATOM 0 HA GLU A 384 0.929 -5.975 9.998 1.00 0.35 H new ATOM 0 HB2 GLU A 384 2.990 -4.235 8.596 1.00 0.46 H new ATOM 0 HB3 GLU A 384 1.709 -3.609 9.615 1.00 0.46 H new ATOM 0 HG2 GLU A 384 3.624 -3.681 10.996 1.00 0.57 H new ATOM 0 HG3 GLU A 384 2.643 -5.043 11.501 1.00 0.57 H new ATOM 1253 N GLY A 385 0.322 -6.244 7.053 1.00 0.27 N ATOM 1254 CA GLY A 385 -0.563 -5.997 5.923 1.00 0.27 C ATOM 1255 C GLY A 385 -1.965 -5.589 6.344 1.00 0.26 C ATOM 1256 O GLY A 385 -2.566 -4.695 5.745 1.00 0.27 O ATOM 0 H GLY A 385 0.766 -7.162 7.051 1.00 0.27 H new ATOM 0 HA2 GLY A 385 -0.135 -5.213 5.298 1.00 0.27 H new ATOM 0 HA3 GLY A 385 -0.621 -6.897 5.311 1.00 0.27 H new ATOM 1260 N GLU A 386 -2.480 -6.238 7.381 1.00 0.30 N ATOM 1261 CA GLU A 386 -3.804 -5.922 7.905 1.00 0.35 C ATOM 1262 C GLU A 386 -3.829 -4.499 8.460 1.00 0.31 C ATOM 1263 O GLU A 386 -4.794 -3.756 8.267 1.00 0.36 O ATOM 1264 CB GLU A 386 -4.188 -6.922 9.000 1.00 0.44 C ATOM 1265 CG GLU A 386 -5.593 -6.726 9.548 1.00 0.53 C ATOM 1266 CD GLU A 386 -5.885 -7.629 10.727 1.00 1.40 C ATOM 1267 OE1 GLU A 386 -6.356 -8.765 10.507 1.00 1.77 O ATOM 1268 OE2 GLU A 386 -5.653 -7.208 11.883 1.00 2.28 O ATOM 0 H GLU A 386 -2.000 -6.989 7.877 1.00 0.30 H new ATOM 0 HA GLU A 386 -4.528 -5.992 7.093 1.00 0.35 H new ATOM 0 HB2 GLU A 386 -4.102 -7.933 8.602 1.00 0.44 H new ATOM 0 HB3 GLU A 386 -3.474 -6.840 9.820 1.00 0.44 H new ATOM 0 HG2 GLU A 386 -5.720 -5.686 9.850 1.00 0.53 H new ATOM 0 HG3 GLU A 386 -6.318 -6.919 8.758 1.00 0.53 H new ATOM 1275 N GLN A 387 -2.746 -4.125 9.128 1.00 0.29 N ATOM 1276 CA GLN A 387 -2.627 -2.808 9.737 1.00 0.30 C ATOM 1277 C GLN A 387 -2.502 -1.718 8.678 1.00 0.27 C ATOM 1278 O GLN A 387 -3.044 -0.626 8.839 1.00 0.31 O ATOM 1279 CB GLN A 387 -1.426 -2.778 10.682 1.00 0.35 C ATOM 1280 CG GLN A 387 -1.639 -3.594 11.948 1.00 0.45 C ATOM 1281 CD GLN A 387 -0.361 -3.822 12.723 1.00 1.13 C ATOM 1282 OE1 GLN A 387 0.031 -3.006 13.560 1.00 2.27 O ATOM 1283 NE2 GLN A 387 0.289 -4.943 12.468 1.00 0.83 N ATOM 0 H GLN A 387 -1.930 -4.722 9.262 1.00 0.29 H new ATOM 0 HA GLN A 387 -3.534 -2.612 10.308 1.00 0.30 H new ATOM 0 HB2 GLN A 387 -0.549 -3.157 10.157 1.00 0.35 H new ATOM 0 HB3 GLN A 387 -1.213 -1.745 10.955 1.00 0.35 H new ATOM 0 HG2 GLN A 387 -2.359 -3.083 12.587 1.00 0.45 H new ATOM 0 HG3 GLN A 387 -2.075 -4.558 11.684 1.00 0.45 H new ATOM 0 HE21 GLN A 387 -0.069 -5.592 11.767 1.00 0.83 H new ATOM 0 HE22 GLN A 387 1.149 -5.160 12.972 1.00 0.83 H new ATOM 1292 N ILE A 388 -1.796 -2.021 7.593 1.00 0.24 N ATOM 1293 CA ILE A 388 -1.636 -1.071 6.496 1.00 0.23 C ATOM 1294 C ILE A 388 -2.995 -0.723 5.896 1.00 0.22 C ATOM 1295 O ILE A 388 -3.351 0.450 5.771 1.00 0.22 O ATOM 1296 CB ILE A 388 -0.730 -1.629 5.376 1.00 0.23 C ATOM 1297 CG1 ILE A 388 0.619 -2.074 5.942 1.00 0.27 C ATOM 1298 CG2 ILE A 388 -0.528 -0.578 4.290 1.00 0.24 C ATOM 1299 CD1 ILE A 388 1.520 -2.739 4.923 1.00 0.29 C ATOM 0 H ILE A 388 -1.326 -2.915 7.449 1.00 0.24 H new ATOM 0 HA ILE A 388 -1.166 -0.180 6.913 1.00 0.23 H new ATOM 0 HB ILE A 388 -1.220 -2.498 4.938 1.00 0.23 H new ATOM 0 HG12 ILE A 388 1.133 -1.206 6.356 1.00 0.27 H new ATOM 0 HG13 ILE A 388 0.446 -2.766 6.767 1.00 0.27 H new ATOM 0 HG21 ILE A 388 0.112 -0.983 3.506 1.00 0.24 H new ATOM 0 HG22 ILE A 388 -1.493 -0.304 3.865 1.00 0.24 H new ATOM 0 HG23 ILE A 388 -0.058 0.306 4.722 1.00 0.24 H new ATOM 0 HD11 ILE A 388 2.458 -3.026 5.399 1.00 0.29 H new ATOM 0 HD12 ILE A 388 1.027 -3.627 4.526 1.00 0.29 H new ATOM 0 HD13 ILE A 388 1.725 -2.043 4.109 1.00 0.29 H new ATOM 1311 N ALA A 389 -3.752 -1.758 5.553 1.00 0.22 N ATOM 1312 CA ALA A 389 -5.061 -1.593 4.935 1.00 0.24 C ATOM 1313 C ALA A 389 -6.000 -0.788 5.821 1.00 0.22 C ATOM 1314 O ALA A 389 -6.680 0.130 5.355 1.00 0.23 O ATOM 1315 CB ALA A 389 -5.666 -2.953 4.645 1.00 0.28 C ATOM 0 H ALA A 389 -3.478 -2.730 5.695 1.00 0.22 H new ATOM 0 HA ALA A 389 -4.927 -1.043 4.003 1.00 0.24 H new ATOM 0 HB1 ALA A 389 -6.645 -2.825 4.183 1.00 0.28 H new ATOM 0 HB2 ALA A 389 -5.014 -3.504 3.967 1.00 0.28 H new ATOM 0 HB3 ALA A 389 -5.774 -3.509 5.576 1.00 0.28 H new ATOM 1321 N GLN A 390 -6.030 -1.136 7.100 1.00 0.22 N ATOM 1322 CA GLN A 390 -6.919 -0.485 8.049 1.00 0.25 C ATOM 1323 C GLN A 390 -6.503 0.968 8.271 1.00 0.21 C ATOM 1324 O GLN A 390 -7.346 1.835 8.505 1.00 0.23 O ATOM 1325 CB GLN A 390 -6.925 -1.258 9.369 1.00 0.34 C ATOM 1326 CG GLN A 390 -8.006 -0.815 10.339 1.00 0.50 C ATOM 1327 CD GLN A 390 -8.070 -1.696 11.569 1.00 1.15 C ATOM 1328 OE1 GLN A 390 -7.402 -1.436 12.571 1.00 1.99 O ATOM 1329 NE2 GLN A 390 -8.862 -2.754 11.495 1.00 1.61 N ATOM 0 H GLN A 390 -5.446 -1.868 7.504 1.00 0.22 H new ATOM 0 HA GLN A 390 -7.930 -0.483 7.640 1.00 0.25 H new ATOM 0 HB2 GLN A 390 -7.055 -2.319 9.156 1.00 0.34 H new ATOM 0 HB3 GLN A 390 -5.953 -1.146 9.848 1.00 0.34 H new ATOM 0 HG2 GLN A 390 -7.819 0.215 10.642 1.00 0.50 H new ATOM 0 HG3 GLN A 390 -8.972 -0.829 9.834 1.00 0.50 H new ATOM 0 HE21 GLN A 390 -9.398 -2.932 10.645 1.00 1.61 H new ATOM 0 HE22 GLN A 390 -8.937 -3.392 12.288 1.00 1.61 H new ATOM 1338 N LEU A 391 -5.206 1.233 8.179 1.00 0.21 N ATOM 1339 CA LEU A 391 -4.689 2.586 8.336 1.00 0.22 C ATOM 1340 C LEU A 391 -5.092 3.453 7.147 1.00 0.20 C ATOM 1341 O LEU A 391 -5.509 4.599 7.317 1.00 0.22 O ATOM 1342 CB LEU A 391 -3.165 2.568 8.477 1.00 0.26 C ATOM 1343 CG LEU A 391 -2.527 3.926 8.771 1.00 0.27 C ATOM 1344 CD1 LEU A 391 -3.004 4.461 10.110 1.00 0.60 C ATOM 1345 CD2 LEU A 391 -1.014 3.819 8.750 1.00 0.63 C ATOM 0 H LEU A 391 -4.492 0.528 7.996 1.00 0.21 H new ATOM 0 HA LEU A 391 -5.119 3.011 9.243 1.00 0.22 H new ATOM 0 HB2 LEU A 391 -2.897 1.877 9.276 1.00 0.26 H new ATOM 0 HB3 LEU A 391 -2.735 2.173 7.557 1.00 0.26 H new ATOM 0 HG LEU A 391 -2.834 4.625 7.993 1.00 0.27 H new ATOM 0 HD11 LEU A 391 -2.539 5.428 10.302 1.00 0.60 H new ATOM 0 HD12 LEU A 391 -4.088 4.577 10.090 1.00 0.60 H new ATOM 0 HD13 LEU A 391 -2.728 3.763 10.900 1.00 0.60 H new ATOM 0 HD21 LEU A 391 -0.577 4.795 8.961 1.00 0.63 H new ATOM 0 HD22 LEU A 391 -0.689 3.105 9.507 1.00 0.63 H new ATOM 0 HD23 LEU A 391 -0.687 3.480 7.767 1.00 0.63 H new ATOM 1357 N ILE A 392 -4.974 2.893 5.945 1.00 0.18 N ATOM 1358 CA ILE A 392 -5.367 3.598 4.728 1.00 0.17 C ATOM 1359 C ILE A 392 -6.850 3.959 4.776 1.00 0.17 C ATOM 1360 O ILE A 392 -7.227 5.113 4.557 1.00 0.19 O ATOM 1361 CB ILE A 392 -5.080 2.754 3.462 1.00 0.17 C ATOM 1362 CG1 ILE A 392 -3.580 2.469 3.344 1.00 0.19 C ATOM 1363 CG2 ILE A 392 -5.588 3.464 2.212 1.00 0.19 C ATOM 1364 CD1 ILE A 392 -3.217 1.581 2.170 1.00 0.21 C ATOM 0 H ILE A 392 -4.609 1.953 5.788 1.00 0.18 H new ATOM 0 HA ILE A 392 -4.772 4.510 4.674 1.00 0.17 H new ATOM 0 HB ILE A 392 -5.610 1.806 3.553 1.00 0.17 H new ATOM 0 HG12 ILE A 392 -3.046 3.415 3.251 1.00 0.19 H new ATOM 0 HG13 ILE A 392 -3.236 1.998 4.264 1.00 0.19 H new ATOM 0 HG21 ILE A 392 -5.376 2.853 1.335 1.00 0.19 H new ATOM 0 HG22 ILE A 392 -6.664 3.620 2.294 1.00 0.19 H new ATOM 0 HG23 ILE A 392 -5.088 4.428 2.112 1.00 0.19 H new ATOM 0 HD11 ILE A 392 -2.138 1.424 2.152 1.00 0.21 H new ATOM 0 HD12 ILE A 392 -3.722 0.620 2.271 1.00 0.21 H new ATOM 0 HD13 ILE A 392 -3.529 2.059 1.242 1.00 0.21 H new ATOM 1376 N ALA A 393 -7.682 2.972 5.097 1.00 0.18 N ATOM 1377 CA ALA A 393 -9.123 3.187 5.208 1.00 0.21 C ATOM 1378 C ALA A 393 -9.443 4.167 6.336 1.00 0.23 C ATOM 1379 O ALA A 393 -10.487 4.822 6.332 1.00 0.29 O ATOM 1380 CB ALA A 393 -9.838 1.861 5.430 1.00 0.24 C ATOM 0 H ALA A 393 -7.384 2.015 5.285 1.00 0.18 H new ATOM 0 HA ALA A 393 -9.478 3.622 4.274 1.00 0.21 H new ATOM 0 HB1 ALA A 393 -10.911 2.035 5.511 1.00 0.24 H new ATOM 0 HB2 ALA A 393 -9.641 1.196 4.589 1.00 0.24 H new ATOM 0 HB3 ALA A 393 -9.475 1.401 6.349 1.00 0.24 H new ATOM 1386 N GLY A 394 -8.532 4.265 7.298 1.00 0.23 N ATOM 1387 CA GLY A 394 -8.701 5.191 8.400 1.00 0.27 C ATOM 1388 C GLY A 394 -8.581 6.639 7.963 1.00 0.28 C ATOM 1389 O GLY A 394 -9.301 7.502 8.460 1.00 0.35 O ATOM 0 H GLY A 394 -7.674 3.715 7.333 1.00 0.23 H new ATOM 0 HA2 GLY A 394 -9.677 5.032 8.858 1.00 0.27 H new ATOM 0 HA3 GLY A 394 -7.953 4.982 9.165 1.00 0.27 H new ATOM 1393 N TYR A 395 -7.670 6.907 7.034 1.00 0.27 N ATOM 1394 CA TYR A 395 -7.495 8.258 6.512 1.00 0.30 C ATOM 1395 C TYR A 395 -8.571 8.570 5.484 1.00 0.30 C ATOM 1396 O TYR A 395 -9.081 9.687 5.421 1.00 0.36 O ATOM 1397 CB TYR A 395 -6.111 8.431 5.880 1.00 0.31 C ATOM 1398 CG TYR A 395 -4.971 8.394 6.873 1.00 0.37 C ATOM 1399 CD1 TYR A 395 -4.952 9.246 7.969 1.00 0.48 C ATOM 1400 CD2 TYR A 395 -3.910 7.514 6.708 1.00 0.41 C ATOM 1401 CE1 TYR A 395 -3.909 9.221 8.875 1.00 0.58 C ATOM 1402 CE2 TYR A 395 -2.863 7.484 7.607 1.00 0.51 C ATOM 1403 CZ TYR A 395 -2.866 8.339 8.688 1.00 0.58 C ATOM 1404 OH TYR A 395 -1.824 8.309 9.585 1.00 0.70 O ATOM 0 H TYR A 395 -7.044 6.211 6.628 1.00 0.27 H new ATOM 0 HA TYR A 395 -7.582 8.953 7.347 1.00 0.30 H new ATOM 0 HB2 TYR A 395 -5.960 7.645 5.140 1.00 0.31 H new ATOM 0 HB3 TYR A 395 -6.083 9.381 5.346 1.00 0.31 H new ATOM 0 HD1 TYR A 395 -5.766 9.940 8.116 1.00 0.48 H new ATOM 0 HD2 TYR A 395 -3.904 6.842 5.863 1.00 0.41 H new ATOM 0 HE1 TYR A 395 -3.911 9.888 9.724 1.00 0.58 H new ATOM 0 HE2 TYR A 395 -2.045 6.794 7.464 1.00 0.51 H new ATOM 0 HH TYR A 395 -1.173 7.631 9.308 1.00 0.70 H new ATOM 1414 N ILE A 396 -8.916 7.563 4.693 1.00 0.27 N ATOM 1415 CA ILE A 396 -9.953 7.688 3.675 1.00 0.31 C ATOM 1416 C ILE A 396 -11.274 8.163 4.285 1.00 0.37 C ATOM 1417 O ILE A 396 -11.948 9.033 3.729 1.00 0.45 O ATOM 1418 CB ILE A 396 -10.149 6.340 2.941 1.00 0.33 C ATOM 1419 CG1 ILE A 396 -8.984 6.104 1.970 1.00 0.34 C ATOM 1420 CG2 ILE A 396 -11.487 6.286 2.218 1.00 0.38 C ATOM 1421 CD1 ILE A 396 -9.010 4.753 1.288 1.00 0.42 C ATOM 0 H ILE A 396 -8.487 6.639 4.738 1.00 0.27 H new ATOM 0 HA ILE A 396 -9.630 8.438 2.953 1.00 0.31 H new ATOM 0 HB ILE A 396 -10.157 5.541 3.683 1.00 0.33 H new ATOM 0 HG12 ILE A 396 -8.997 6.884 1.208 1.00 0.34 H new ATOM 0 HG13 ILE A 396 -8.045 6.206 2.515 1.00 0.34 H new ATOM 0 HG21 ILE A 396 -11.590 5.325 1.714 1.00 0.38 H new ATOM 0 HG22 ILE A 396 -12.295 6.406 2.939 1.00 0.38 H new ATOM 0 HG23 ILE A 396 -11.536 7.089 1.482 1.00 0.38 H new ATOM 0 HD11 ILE A 396 -8.154 4.666 0.619 1.00 0.42 H new ATOM 0 HD12 ILE A 396 -8.965 3.965 2.040 1.00 0.42 H new ATOM 0 HD13 ILE A 396 -9.931 4.653 0.713 1.00 0.42 H new ATOM 1433 N ASP A 397 -11.613 7.612 5.444 1.00 0.38 N ATOM 1434 CA ASP A 397 -12.838 7.983 6.154 1.00 0.47 C ATOM 1435 C ASP A 397 -12.852 9.469 6.508 1.00 0.51 C ATOM 1436 O ASP A 397 -13.905 10.100 6.535 1.00 0.63 O ATOM 1437 CB ASP A 397 -12.971 7.146 7.426 1.00 0.52 C ATOM 1438 CG ASP A 397 -14.156 7.548 8.283 1.00 0.69 C ATOM 1439 OD1 ASP A 397 -15.290 7.120 7.984 1.00 0.73 O ATOM 1440 OD2 ASP A 397 -13.951 8.268 9.284 1.00 0.99 O ATOM 0 H ASP A 397 -11.055 6.902 5.917 1.00 0.38 H new ATOM 0 HA ASP A 397 -13.683 7.787 5.494 1.00 0.47 H new ATOM 0 HB2 ASP A 397 -13.068 6.095 7.153 1.00 0.52 H new ATOM 0 HB3 ASP A 397 -12.057 7.241 8.013 1.00 0.52 H new ATOM 1445 N ILE A 398 -11.674 10.025 6.760 1.00 0.47 N ATOM 1446 CA ILE A 398 -11.556 11.429 7.140 1.00 0.53 C ATOM 1447 C ILE A 398 -11.764 12.343 5.933 1.00 0.55 C ATOM 1448 O ILE A 398 -12.289 13.450 6.063 1.00 0.65 O ATOM 1449 CB ILE A 398 -10.174 11.724 7.773 1.00 0.54 C ATOM 1450 CG1 ILE A 398 -9.942 10.814 8.983 1.00 0.57 C ATOM 1451 CG2 ILE A 398 -10.069 13.189 8.182 1.00 0.62 C ATOM 1452 CD1 ILE A 398 -8.587 10.998 9.632 1.00 0.81 C ATOM 0 H ILE A 398 -10.786 9.526 6.708 1.00 0.47 H new ATOM 0 HA ILE A 398 -12.333 11.629 7.878 1.00 0.53 H new ATOM 0 HB ILE A 398 -9.404 11.522 7.029 1.00 0.54 H new ATOM 0 HG12 ILE A 398 -10.719 11.004 9.724 1.00 0.57 H new ATOM 0 HG13 ILE A 398 -10.047 9.775 8.671 1.00 0.57 H new ATOM 0 HG21 ILE A 398 -9.090 13.374 8.624 1.00 0.62 H new ATOM 0 HG22 ILE A 398 -10.196 13.822 7.304 1.00 0.62 H new ATOM 0 HG23 ILE A 398 -10.846 13.420 8.911 1.00 0.62 H new ATOM 0 HD11 ILE A 398 -8.495 10.321 10.481 1.00 0.81 H new ATOM 0 HD12 ILE A 398 -7.803 10.779 8.907 1.00 0.81 H new ATOM 0 HD13 ILE A 398 -8.485 12.027 9.976 1.00 0.81 H new ATOM 1464 N ILE A 399 -11.367 11.865 4.760 1.00 0.50 N ATOM 1465 CA ILE A 399 -11.455 12.659 3.539 1.00 0.52 C ATOM 1466 C ILE A 399 -12.893 12.721 3.026 1.00 0.59 C ATOM 1467 O ILE A 399 -13.315 13.723 2.448 1.00 0.72 O ATOM 1468 CB ILE A 399 -10.549 12.086 2.426 1.00 0.47 C ATOM 1469 CG1 ILE A 399 -9.125 11.876 2.949 1.00 0.47 C ATOM 1470 CG2 ILE A 399 -10.539 13.017 1.217 1.00 0.50 C ATOM 1471 CD1 ILE A 399 -8.200 11.213 1.951 1.00 0.48 C ATOM 0 H ILE A 399 -10.980 10.930 4.628 1.00 0.50 H new ATOM 0 HA ILE A 399 -11.117 13.664 3.791 1.00 0.52 H new ATOM 0 HB ILE A 399 -10.950 11.120 2.118 1.00 0.47 H new ATOM 0 HG12 ILE A 399 -8.706 12.841 3.233 1.00 0.47 H new ATOM 0 HG13 ILE A 399 -9.166 11.268 3.853 1.00 0.47 H new ATOM 0 HG21 ILE A 399 -9.896 12.600 0.442 1.00 0.50 H new ATOM 0 HG22 ILE A 399 -11.553 13.122 0.830 1.00 0.50 H new ATOM 0 HG23 ILE A 399 -10.161 13.995 1.514 1.00 0.50 H new ATOM 0 HD11 ILE A 399 -7.210 11.098 2.393 1.00 0.48 H new ATOM 0 HD12 ILE A 399 -8.595 10.233 1.685 1.00 0.48 H new ATOM 0 HD13 ILE A 399 -8.128 11.831 1.056 1.00 0.48 H new ATOM 1603 N TRP B 374 -10.404 -8.527 -0.341 1.00 1.08 N ATOM 1604 CA TRP B 374 -10.327 -7.256 -1.032 1.00 0.61 C ATOM 1605 C TRP B 374 -11.192 -6.195 -0.383 1.00 0.55 C ATOM 1606 O TRP B 374 -12.384 -6.399 -0.140 1.00 0.90 O ATOM 1607 CB TRP B 374 -10.725 -7.447 -2.492 1.00 0.88 C ATOM 1608 CG TRP B 374 -9.798 -8.372 -3.216 1.00 0.97 C ATOM 1609 CD1 TRP B 374 -9.890 -9.733 -3.285 1.00 1.38 C ATOM 1610 CD2 TRP B 374 -8.623 -8.009 -3.949 1.00 0.81 C ATOM 1611 NE1 TRP B 374 -8.852 -10.234 -4.028 1.00 1.42 N ATOM 1612 CE2 TRP B 374 -8.061 -9.199 -4.447 1.00 1.02 C ATOM 1613 CE3 TRP B 374 -7.992 -6.794 -4.240 1.00 0.85 C ATOM 1614 CZ2 TRP B 374 -6.902 -9.212 -5.216 1.00 0.98 C ATOM 1615 CZ3 TRP B 374 -6.842 -6.811 -5.002 1.00 0.97 C ATOM 1616 CH2 TRP B 374 -6.307 -8.011 -5.483 1.00 0.88 C ATOM 0 HA TRP B 374 -9.297 -6.904 -0.972 1.00 0.61 H new ATOM 0 HB2 TRP B 374 -11.740 -7.841 -2.541 1.00 0.88 H new ATOM 0 HB3 TRP B 374 -10.734 -6.479 -2.994 1.00 0.88 H new ATOM 0 HD1 TRP B 374 -10.665 -10.326 -2.823 1.00 1.38 H new ATOM 0 HE1 TRP B 374 -8.695 -11.220 -4.235 1.00 1.42 H new ATOM 0 HE3 TRP B 374 -8.397 -5.862 -3.875 1.00 0.85 H new ATOM 0 HZ2 TRP B 374 -6.488 -10.137 -5.588 1.00 0.98 H new ATOM 0 HZ3 TRP B 374 -6.345 -5.880 -5.232 1.00 0.97 H new ATOM 0 HH2 TRP B 374 -5.406 -7.988 -6.077 1.00 0.88 H new ATOM 1627 N VAL B 375 -10.572 -5.065 -0.102 1.00 0.40 N ATOM 1628 CA VAL B 375 -11.277 -3.897 0.401 1.00 0.38 C ATOM 1629 C VAL B 375 -11.212 -2.805 -0.657 1.00 0.44 C ATOM 1630 O VAL B 375 -10.125 -2.420 -1.094 1.00 0.53 O ATOM 1631 CB VAL B 375 -10.680 -3.373 1.730 1.00 0.48 C ATOM 1632 CG1 VAL B 375 -11.512 -2.213 2.272 1.00 0.84 C ATOM 1633 CG2 VAL B 375 -10.587 -4.490 2.764 1.00 1.07 C ATOM 0 H VAL B 375 -9.567 -4.929 -0.215 1.00 0.40 H new ATOM 0 HA VAL B 375 -12.308 -4.182 0.607 1.00 0.38 H new ATOM 0 HB VAL B 375 -9.672 -3.012 1.527 1.00 0.48 H new ATOM 0 HG11 VAL B 375 -11.077 -1.858 3.206 1.00 0.84 H new ATOM 0 HG12 VAL B 375 -11.521 -1.401 1.545 1.00 0.84 H new ATOM 0 HG13 VAL B 375 -12.533 -2.550 2.452 1.00 0.84 H new ATOM 0 HG21 VAL B 375 -10.165 -4.096 3.688 1.00 1.07 H new ATOM 0 HG22 VAL B 375 -11.583 -4.888 2.961 1.00 1.07 H new ATOM 0 HG23 VAL B 375 -9.947 -5.286 2.383 1.00 1.07 H new ATOM 1643 N GLU B 376 -12.368 -2.340 -1.094 1.00 0.51 N ATOM 1644 CA GLU B 376 -12.434 -1.389 -2.189 1.00 0.63 C ATOM 1645 C GLU B 376 -12.463 0.044 -1.670 1.00 0.52 C ATOM 1646 O GLU B 376 -12.844 0.299 -0.528 1.00 0.61 O ATOM 1647 CB GLU B 376 -13.654 -1.705 -3.065 1.00 0.86 C ATOM 1648 CG GLU B 376 -13.734 -0.914 -4.363 1.00 1.43 C ATOM 1649 CD GLU B 376 -14.741 -1.503 -5.328 1.00 1.69 C ATOM 1650 OE1 GLU B 376 -15.956 -1.344 -5.095 1.00 2.28 O ATOM 1651 OE2 GLU B 376 -14.316 -2.143 -6.318 1.00 2.06 O ATOM 0 H GLU B 376 -13.274 -2.605 -0.708 1.00 0.51 H new ATOM 0 HA GLU B 376 -11.537 -1.481 -2.801 1.00 0.63 H new ATOM 0 HB2 GLU B 376 -13.645 -2.768 -3.305 1.00 0.86 H new ATOM 0 HB3 GLU B 376 -14.558 -1.516 -2.485 1.00 0.86 H new ATOM 0 HG2 GLU B 376 -14.005 0.118 -4.142 1.00 1.43 H new ATOM 0 HG3 GLU B 376 -12.751 -0.891 -4.834 1.00 1.43 H new ATOM 1658 N ASN B 377 -12.045 0.969 -2.521 1.00 0.54 N ATOM 1659 CA ASN B 377 -11.909 2.374 -2.141 1.00 0.58 C ATOM 1660 C ASN B 377 -12.905 3.235 -2.912 1.00 0.50 C ATOM 1661 O ASN B 377 -13.105 3.036 -4.111 1.00 0.65 O ATOM 1662 CB ASN B 377 -10.473 2.851 -2.394 1.00 0.83 C ATOM 1663 CG ASN B 377 -10.279 4.337 -2.169 1.00 0.88 C ATOM 1664 OD1 ASN B 377 -10.924 4.944 -1.316 1.00 1.83 O ATOM 1665 ND2 ASN B 377 -9.399 4.929 -2.959 1.00 1.23 N ATOM 0 H ASN B 377 -11.791 0.773 -3.489 1.00 0.54 H new ATOM 0 HA ASN B 377 -12.126 2.472 -1.077 1.00 0.58 H new ATOM 0 HB2 ASN B 377 -9.796 2.302 -1.740 1.00 0.83 H new ATOM 0 HB3 ASN B 377 -10.193 2.608 -3.419 1.00 0.83 H new ATOM 0 HD21 ASN B 377 -9.232 5.932 -2.875 1.00 1.23 H new ATOM 0 HD22 ASN B 377 -8.888 4.383 -3.652 1.00 1.23 H new ATOM 1672 N GLU B 378 -13.513 4.200 -2.224 1.00 0.43 N ATOM 1673 CA GLU B 378 -14.584 4.997 -2.806 1.00 0.51 C ATOM 1674 C GLU B 378 -14.080 6.317 -3.364 1.00 0.44 C ATOM 1675 O GLU B 378 -14.861 7.145 -3.834 1.00 0.53 O ATOM 1676 CB GLU B 378 -15.671 5.249 -1.767 1.00 0.71 C ATOM 1677 CG GLU B 378 -16.167 3.985 -1.089 1.00 0.87 C ATOM 1678 CD GLU B 378 -16.948 3.081 -2.021 1.00 1.05 C ATOM 1679 OE1 GLU B 378 -16.323 2.320 -2.786 1.00 1.88 O ATOM 1680 OE2 GLU B 378 -18.195 3.123 -1.985 1.00 1.39 O ATOM 0 H GLU B 378 -13.280 4.447 -1.262 1.00 0.43 H new ATOM 0 HA GLU B 378 -14.997 4.429 -3.639 1.00 0.51 H new ATOM 0 HB2 GLU B 378 -15.286 5.931 -1.009 1.00 0.71 H new ATOM 0 HB3 GLU B 378 -16.513 5.748 -2.247 1.00 0.71 H new ATOM 0 HG2 GLU B 378 -15.315 3.436 -0.688 1.00 0.87 H new ATOM 0 HG3 GLU B 378 -16.798 4.257 -0.242 1.00 0.87 H new ATOM 1687 N ILE B 379 -12.783 6.505 -3.313 1.00 0.36 N ATOM 1688 CA ILE B 379 -12.168 7.690 -3.912 1.00 0.38 C ATOM 1689 C ILE B 379 -11.083 7.283 -4.922 1.00 0.48 C ATOM 1690 O ILE B 379 -9.910 7.166 -4.576 1.00 1.17 O ATOM 1691 CB ILE B 379 -11.566 8.673 -2.869 1.00 0.38 C ATOM 1692 CG1 ILE B 379 -10.575 7.964 -1.931 1.00 0.37 C ATOM 1693 CG2 ILE B 379 -12.669 9.356 -2.054 1.00 0.43 C ATOM 1694 CD1 ILE B 379 -9.932 8.865 -0.883 1.00 0.44 C ATOM 0 H ILE B 379 -12.127 5.863 -2.868 1.00 0.36 H new ATOM 0 HA ILE B 379 -12.974 8.220 -4.419 1.00 0.38 H new ATOM 0 HB ILE B 379 -11.021 9.436 -3.424 1.00 0.38 H new ATOM 0 HG12 ILE B 379 -11.095 7.152 -1.422 1.00 0.37 H new ATOM 0 HG13 ILE B 379 -9.787 7.511 -2.533 1.00 0.37 H new ATOM 0 HG21 ILE B 379 -12.219 10.038 -1.332 1.00 0.43 H new ATOM 0 HG22 ILE B 379 -13.322 9.916 -2.723 1.00 0.43 H new ATOM 0 HG23 ILE B 379 -13.251 8.601 -1.526 1.00 0.43 H new ATOM 0 HD11 ILE B 379 -9.249 8.278 -0.268 1.00 0.44 H new ATOM 0 HD12 ILE B 379 -9.379 9.663 -1.379 1.00 0.44 H new ATOM 0 HD13 ILE B 379 -10.707 9.299 -0.251 1.00 0.44 H new ATOM 1706 N TYR B 380 -11.473 7.034 -6.166 1.00 0.45 N ATOM 1707 CA TYR B 380 -10.528 6.604 -7.181 1.00 0.42 C ATOM 1708 C TYR B 380 -10.643 7.484 -8.420 1.00 0.46 C ATOM 1709 O TYR B 380 -11.734 7.640 -8.975 1.00 0.58 O ATOM 1710 CB TYR B 380 -10.784 5.132 -7.527 1.00 0.48 C ATOM 1711 CG TYR B 380 -10.042 4.634 -8.748 1.00 0.45 C ATOM 1712 CD1 TYR B 380 -8.698 4.298 -8.666 1.00 0.49 C ATOM 1713 CD2 TYR B 380 -10.676 4.514 -9.977 1.00 0.54 C ATOM 1714 CE1 TYR B 380 -8.006 3.855 -9.772 1.00 0.51 C ATOM 1715 CE2 TYR B 380 -9.987 4.068 -11.089 1.00 0.54 C ATOM 1716 CZ TYR B 380 -8.707 3.704 -10.997 1.00 0.47 C ATOM 1717 OH TYR B 380 -7.960 3.296 -12.080 1.00 0.52 O ATOM 0 H TYR B 380 -12.435 7.123 -6.493 1.00 0.45 H new ATOM 0 HA TYR B 380 -9.513 6.702 -6.795 1.00 0.42 H new ATOM 0 HB2 TYR B 380 -10.504 4.517 -6.672 1.00 0.48 H new ATOM 0 HB3 TYR B 380 -11.853 4.990 -7.685 1.00 0.48 H new ATOM 0 HD1 TYR B 380 -8.186 4.385 -7.719 1.00 0.49 H new ATOM 0 HD2 TYR B 380 -11.721 4.772 -10.065 1.00 0.54 H new ATOM 0 HE1 TYR B 380 -6.952 3.627 -9.708 1.00 0.51 H new ATOM 0 HE2 TYR B 380 -10.490 4.014 -12.043 1.00 0.54 H new ATOM 0 HH TYR B 380 -8.538 3.223 -12.868 1.00 0.52 H new ATOM 1727 N TYR B 381 -9.528 8.082 -8.827 1.00 0.55 N ATOM 1728 CA TYR B 381 -9.486 8.888 -10.025 1.00 0.70 C ATOM 1729 C TYR B 381 -9.670 8.014 -11.263 1.00 0.79 C ATOM 1730 O TYR B 381 -10.812 7.910 -11.754 1.00 1.31 O ATOM 1731 CB TYR B 381 -8.147 9.629 -10.112 1.00 1.01 C ATOM 1732 CG TYR B 381 -8.116 11.028 -9.525 1.00 1.28 C ATOM 1733 CD1 TYR B 381 -8.969 12.001 -10.020 1.00 1.66 C ATOM 1734 CD2 TYR B 381 -7.259 11.378 -8.480 1.00 1.73 C ATOM 1735 CE1 TYR B 381 -8.973 13.283 -9.503 1.00 2.20 C ATOM 1736 CE2 TYR B 381 -7.259 12.659 -7.959 1.00 2.35 C ATOM 1737 CZ TYR B 381 -7.999 13.581 -8.419 1.00 2.50 C ATOM 1738 OH TYR B 381 -8.118 14.885 -7.963 1.00 3.20 O ATOM 1739 OXT TYR B 381 -8.670 7.433 -11.743 1.00 1.47 O ATOM 0 H TYR B 381 -8.637 8.018 -8.334 1.00 0.55 H new ATOM 0 HA TYR B 381 -10.298 9.614 -9.982 1.00 0.70 H new ATOM 0 HB2 TYR B 381 -7.390 9.029 -9.607 1.00 1.01 H new ATOM 0 HB3 TYR B 381 -7.857 9.691 -11.161 1.00 1.01 H new ATOM 0 HD1 TYR B 381 -9.644 11.753 -10.826 1.00 1.66 H new ATOM 0 HD2 TYR B 381 -6.586 10.638 -8.073 1.00 1.73 H new ATOM 0 HE1 TYR B 381 -9.654 14.036 -9.870 1.00 2.20 H new ATOM 0 HE2 TYR B 381 -6.605 12.883 -7.130 1.00 2.35 H new ATOM 0 HH TYR B 381 -7.463 15.044 -7.251 1.00 3.20 H new