USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 628 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 104 CYS SG : rot -113:sc= -4.83! USER MOD Set 1.2: A 107 CYS SG : rot 122:sc= 1.91! USER MOD Set 1.3: A 120 HIS : no HE2:sc= -6.62! C(o=-11!,f=-30!) USER MOD Set 1.4: A 125 HIS : no HD1:sc= -1.86! C(o=-11!,f=-24!) USER MOD Set 2.1: A 72 CYS SG : rot 123:sc= -0.423! USER MOD Set 2.2: A 75 CYS SG : rot -83:sc= -4.61! USER MOD Set 2.3: A 88 HIS : no HE2:sc= -1.7! C(o=-10!,f=-31!) USER MOD Set 2.4: A 93 HIS : no HD1:sc= -3.39! K(o=-10!,f=-15) USER MOD Set 3.1: A 73 LYS NZ :NH3+ 173:sc= 1.22 (180deg=-0.129) USER MOD Set 3.2: A 101 SER OG : rot -11:sc= 1.39 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 76 THR OG1 : rot 180:sc=0.000743 USER MOD Single : A 78 GLN : amide:sc= -2.43! C(o=-2.4!,f=-6!) USER MOD Single : A 79 THR OG1 : rot 31:sc= 0.108 USER MOD Single : A 83 ASN : amide:sc= -0.185 X(o=-0.19,f=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -79:sc= 1.17 USER MOD Single : A 100 SER OG : rot -24:sc= 0.0919 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -1.29! K(o=-1.3!,f=-0.1) USER MOD Single : A 111 THR OG1 : rot 70:sc= 1.09 USER MOD Single : A 112 LYS NZ :NH3+ 157:sc= 1.39! (180deg=0.598) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -4.88! C(o=-4.9!,f=-6.9!) USER MOD Single : A 123 LYS NZ :NH3+ 151:sc= 0.356 (180deg=0.0734) USER MOD Single : A 124 TYR OH : rot -11:sc= -0.482 USER MOD Single : A 130 ASN : amide:sc= -3.71! K(o=-3.7!,f=-0.56) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl -167:sc= 0 (180deg=-0.154) USER MOD Single : A 137 LYS NZ :NH3+ 178:sc= 1.18 (180deg=1.16) USER MOD Single : A 139 ASN : amide:sc= -0.258 K(o=-0.26,f=-2.2!) USER MOD Single : A 140 ASN : amide:sc= 0.0674 X(o=0.067,f=0) USER MOD Single : A 141 GLN : amide:sc= -4.12! K(o=-4.1!,f=-1) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.0318 USER MOD Single : A 146 GLN : amide:sc= -0.897 X(o=-0.9,f=-0.91) USER MOD Single : A 147 THR OG1 : rot -144:sc= -2.31! USER MOD Single : A 149 ASN : amide:sc= -4.65! C(o=-4.6!,f=-2.6!) USER MOD Single : A 152 THR OG1 : rot -68:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 235 N VAL A 66 -4.593 6.282 -4.653 1.00 14.32 N ATOM 236 CA VAL A 66 -4.148 6.264 -3.337 1.00 10.32 C ATOM 237 C VAL A 66 -4.332 7.696 -2.892 1.00 63.52 C ATOM 238 O VAL A 66 -4.087 8.626 -3.676 1.00 5.34 O ATOM 239 CB VAL A 66 -2.659 5.764 -3.172 1.00 13.13 C ATOM 240 CG1 VAL A 66 -1.601 6.831 -3.338 1.00 2.23 C ATOM 241 CG2 VAL A 66 -2.505 5.055 -1.880 1.00 13.14 C ATOM 0 HA VAL A 66 -4.703 5.550 -2.729 1.00 10.32 H new ATOM 0 HB VAL A 66 -2.484 5.078 -4.001 1.00 13.13 H new ATOM 0 HG11 VAL A 66 -0.614 6.388 -3.206 1.00 2.23 H new ATOM 0 HG12 VAL A 66 -1.674 7.264 -4.336 1.00 2.23 H new ATOM 0 HG13 VAL A 66 -1.751 7.611 -2.592 1.00 2.23 H new ATOM 0 HG21 VAL A 66 -1.476 4.713 -1.773 1.00 13.14 H new ATOM 0 HG22 VAL A 66 -2.749 5.733 -1.062 1.00 13.14 H new ATOM 0 HG23 VAL A 66 -3.177 4.197 -1.853 1.00 13.14 H new ATOM 251 N GLU A 67 -4.857 7.893 -1.744 1.00 4.55 N ATOM 252 CA GLU A 67 -5.123 9.233 -1.303 1.00 41.44 C ATOM 253 C GLU A 67 -4.450 9.545 0.010 1.00 52.32 C ATOM 254 O GLU A 67 -3.655 10.482 0.092 1.00 22.22 O ATOM 255 CB GLU A 67 -6.629 9.511 -1.290 1.00 33.24 C ATOM 256 CG GLU A 67 -7.446 8.386 -0.716 1.00 71.34 C ATOM 257 CD GLU A 67 -8.887 8.720 -0.565 1.00 41.34 C ATOM 258 OE1 GLU A 67 -9.617 8.770 -1.580 1.00 2.01 O ATOM 259 OE2 GLU A 67 -9.332 8.887 0.580 1.00 42.13 O ATOM 0 H GLU A 67 -5.115 7.158 -1.086 1.00 4.55 H new ATOM 0 HA GLU A 67 -4.680 9.920 -2.024 1.00 41.44 H new ATOM 0 HB2 GLU A 67 -6.818 10.416 -0.713 1.00 33.24 H new ATOM 0 HB3 GLU A 67 -6.962 9.707 -2.309 1.00 33.24 H new ATOM 0 HG2 GLU A 67 -7.349 7.511 -1.359 1.00 71.34 H new ATOM 0 HG3 GLU A 67 -7.040 8.112 0.258 1.00 71.34 H new ATOM 266 N GLY A 68 -4.729 8.767 1.016 1.00 45.43 N ATOM 267 CA GLY A 68 -4.110 8.995 2.272 1.00 0.51 C ATOM 268 C GLY A 68 -4.233 7.821 3.154 1.00 52.12 C ATOM 269 O GLY A 68 -5.217 7.670 3.874 1.00 14.25 O ATOM 0 H GLY A 68 -5.376 7.979 0.984 1.00 45.43 H new ATOM 0 HA2 GLY A 68 -3.056 9.231 2.122 1.00 0.51 H new ATOM 0 HA3 GLY A 68 -4.565 9.861 2.752 1.00 0.51 H new ATOM 273 N GLY A 69 -3.290 6.966 3.039 1.00 31.31 N ATOM 274 CA GLY A 69 -3.224 5.812 3.877 1.00 72.10 C ATOM 275 C GLY A 69 -2.653 4.625 3.176 1.00 54.25 C ATOM 276 O GLY A 69 -2.014 4.748 2.138 1.00 44.31 O ATOM 0 H GLY A 69 -2.533 7.039 2.359 1.00 31.31 H new ATOM 0 HA2 GLY A 69 -2.617 6.038 4.753 1.00 72.10 H new ATOM 0 HA3 GLY A 69 -4.224 5.571 4.236 1.00 72.10 H new ATOM 280 N TYR A 70 -2.924 3.479 3.684 1.00 73.23 N ATOM 281 CA TYR A 70 -2.373 2.281 3.136 1.00 4.42 C ATOM 282 C TYR A 70 -3.427 1.541 2.368 1.00 50.03 C ATOM 283 O TYR A 70 -4.414 1.062 2.941 1.00 52.34 O ATOM 284 CB TYR A 70 -1.789 1.415 4.250 1.00 1.54 C ATOM 285 CG TYR A 70 -0.913 2.197 5.202 1.00 41.12 C ATOM 286 CD1 TYR A 70 0.217 2.864 4.751 1.00 32.34 C ATOM 287 CD2 TYR A 70 -1.255 2.318 6.539 1.00 61.24 C ATOM 288 CE1 TYR A 70 0.984 3.614 5.609 1.00 11.44 C ATOM 289 CE2 TYR A 70 -0.505 3.071 7.397 1.00 33.25 C ATOM 290 CZ TYR A 70 0.618 3.720 6.932 1.00 53.22 C ATOM 291 OH TYR A 70 1.379 4.478 7.788 1.00 53.44 O ATOM 0 H TYR A 70 -3.532 3.338 4.490 1.00 73.23 H new ATOM 0 HA TYR A 70 -1.566 2.534 2.449 1.00 4.42 H new ATOM 0 HB2 TYR A 70 -2.603 0.953 4.809 1.00 1.54 H new ATOM 0 HB3 TYR A 70 -1.206 0.607 3.808 1.00 1.54 H new ATOM 0 HD1 TYR A 70 0.498 2.792 3.711 1.00 32.34 H new ATOM 0 HD2 TYR A 70 -2.131 1.807 6.910 1.00 61.24 H new ATOM 0 HE1 TYR A 70 1.869 4.117 5.248 1.00 11.44 H new ATOM 0 HE2 TYR A 70 -0.791 3.157 8.435 1.00 33.25 H new ATOM 0 HH TYR A 70 0.986 4.452 8.685 1.00 53.44 H new ATOM 301 N GLU A 71 -3.258 1.521 1.073 1.00 33.22 N ATOM 302 CA GLU A 71 -4.131 0.794 0.202 1.00 0.31 C ATOM 303 C GLU A 71 -3.501 -0.551 -0.043 1.00 71.23 C ATOM 304 O GLU A 71 -2.371 -0.618 -0.506 1.00 74.13 O ATOM 305 CB GLU A 71 -4.285 1.488 -1.155 1.00 33.53 C ATOM 306 CG GLU A 71 -5.197 0.702 -2.086 1.00 51.50 C ATOM 307 CD GLU A 71 -4.857 0.846 -3.548 1.00 15.22 C ATOM 308 OE1 GLU A 71 -3.667 0.696 -3.910 1.00 3.53 O ATOM 309 OE2 GLU A 71 -5.801 0.937 -4.384 1.00 74.44 O ATOM 0 H GLU A 71 -2.504 2.013 0.593 1.00 33.22 H new ATOM 0 HA GLU A 71 -5.114 0.723 0.668 1.00 0.31 H new ATOM 0 HB2 GLU A 71 -4.690 2.489 -1.008 1.00 33.53 H new ATOM 0 HB3 GLU A 71 -3.305 1.605 -1.618 1.00 33.53 H new ATOM 0 HG2 GLU A 71 -5.152 -0.353 -1.816 1.00 51.50 H new ATOM 0 HG3 GLU A 71 -6.225 1.027 -1.930 1.00 51.50 H new ATOM 316 N CYS A 72 -4.199 -1.596 0.289 1.00 45.32 N ATOM 317 CA CYS A 72 -3.701 -2.927 0.012 1.00 22.40 C ATOM 318 C CYS A 72 -3.691 -3.194 -1.500 1.00 1.22 C ATOM 319 O CYS A 72 -4.479 -2.630 -2.257 1.00 2.14 O ATOM 320 CB CYS A 72 -4.597 -3.986 0.621 1.00 3.34 C ATOM 321 SG CYS A 72 -4.948 -3.875 2.411 1.00 21.32 S ATOM 0 H CYS A 72 -5.109 -1.563 0.749 1.00 45.32 H new ATOM 0 HA CYS A 72 -2.698 -2.977 0.435 1.00 22.40 H new ATOM 0 HB2 CYS A 72 -5.549 -3.965 0.091 1.00 3.34 H new ATOM 0 HB3 CYS A 72 -4.146 -4.959 0.427 1.00 3.34 H new ATOM 0 HG CYS A 72 -6.233 -3.818 2.599 1.00 21.32 H new ATOM 326 N LYS A 73 -2.819 -4.061 -1.920 1.00 4.41 N ATOM 327 CA LYS A 73 -2.809 -4.535 -3.278 1.00 33.12 C ATOM 328 C LYS A 73 -4.086 -5.359 -3.578 1.00 64.34 C ATOM 329 O LYS A 73 -4.654 -5.292 -4.661 1.00 24.33 O ATOM 330 CB LYS A 73 -1.586 -5.420 -3.470 1.00 51.41 C ATOM 331 CG LYS A 73 -1.586 -6.083 -4.811 1.00 72.20 C ATOM 332 CD LYS A 73 -0.625 -7.212 -4.888 1.00 72.45 C ATOM 333 CE LYS A 73 -0.848 -7.960 -6.175 1.00 11.44 C ATOM 334 NZ LYS A 73 -0.544 -7.142 -7.370 1.00 34.23 N ATOM 0 H LYS A 73 -2.090 -4.463 -1.331 1.00 4.41 H new ATOM 0 HA LYS A 73 -2.779 -3.683 -3.957 1.00 33.12 H new ATOM 0 HB2 LYS A 73 -0.682 -4.820 -3.361 1.00 51.41 H new ATOM 0 HB3 LYS A 73 -1.561 -6.180 -2.689 1.00 51.41 H new ATOM 0 HG2 LYS A 73 -2.589 -6.448 -5.032 1.00 72.20 H new ATOM 0 HG3 LYS A 73 -1.339 -5.347 -5.576 1.00 72.20 H new ATOM 0 HD2 LYS A 73 0.398 -6.839 -4.842 1.00 72.45 H new ATOM 0 HD3 LYS A 73 -0.760 -7.879 -4.037 1.00 72.45 H new ATOM 0 HE2 LYS A 73 -0.225 -8.854 -6.184 1.00 11.44 H new ATOM 0 HE3 LYS A 73 -1.885 -8.293 -6.222 1.00 11.44 H new ATOM 0 HZ1 LYS A 73 -0.599 -7.737 -8.221 1.00 34.23 H new ATOM 0 HZ2 LYS A 73 -1.233 -6.367 -7.444 1.00 34.23 H new ATOM 0 HZ3 LYS A 73 0.414 -6.747 -7.286 1.00 34.23 H new ATOM 348 N TYR A 74 -4.562 -6.039 -2.566 1.00 23.12 N ATOM 349 CA TYR A 74 -5.582 -7.067 -2.711 1.00 43.25 C ATOM 350 C TYR A 74 -6.975 -6.561 -2.390 1.00 71.34 C ATOM 351 O TYR A 74 -7.964 -7.258 -2.603 1.00 53.13 O ATOM 352 CB TYR A 74 -5.190 -8.291 -1.850 1.00 34.43 C ATOM 353 CG TYR A 74 -3.931 -8.044 -1.027 1.00 52.04 C ATOM 354 CD1 TYR A 74 -2.668 -8.297 -1.552 1.00 1.40 C ATOM 355 CD2 TYR A 74 -4.010 -7.506 0.240 1.00 35.12 C ATOM 356 CE1 TYR A 74 -1.529 -8.011 -0.828 1.00 34.50 C ATOM 357 CE2 TYR A 74 -2.878 -7.231 0.976 1.00 2.12 C ATOM 358 CZ TYR A 74 -1.644 -7.478 0.440 1.00 22.43 C ATOM 359 OH TYR A 74 -0.522 -7.188 1.166 1.00 62.51 O ATOM 0 H TYR A 74 -4.254 -5.899 -1.604 1.00 23.12 H new ATOM 0 HA TYR A 74 -5.625 -7.367 -3.758 1.00 43.25 H new ATOM 0 HB2 TYR A 74 -6.014 -8.541 -1.182 1.00 34.43 H new ATOM 0 HB3 TYR A 74 -5.033 -9.153 -2.499 1.00 34.43 H new ATOM 0 HD1 TYR A 74 -2.578 -8.723 -2.540 1.00 1.40 H new ATOM 0 HD2 TYR A 74 -4.980 -7.296 0.665 1.00 35.12 H new ATOM 0 HE1 TYR A 74 -0.554 -8.203 -1.251 1.00 34.50 H new ATOM 0 HE2 TYR A 74 -2.965 -6.822 1.972 1.00 2.12 H new ATOM 0 HH TYR A 74 -0.782 -6.819 2.036 1.00 62.51 H new ATOM 369 N CYS A 75 -7.062 -5.359 -1.919 1.00 32.10 N ATOM 370 CA CYS A 75 -8.339 -4.791 -1.621 1.00 22.44 C ATOM 371 C CYS A 75 -8.346 -3.337 -2.022 1.00 22.42 C ATOM 372 O CYS A 75 -7.286 -2.744 -2.204 1.00 34.04 O ATOM 373 CB CYS A 75 -8.756 -5.031 -0.135 1.00 54.33 C ATOM 374 SG CYS A 75 -7.703 -4.282 1.200 1.00 61.52 S ATOM 0 H CYS A 75 -6.265 -4.751 -1.732 1.00 32.10 H new ATOM 0 HA CYS A 75 -9.104 -5.299 -2.208 1.00 22.44 H new ATOM 0 HB2 CYS A 75 -9.772 -4.656 -0.009 1.00 54.33 H new ATOM 0 HB3 CYS A 75 -8.791 -6.108 0.032 1.00 54.33 H new ATOM 0 HG CYS A 75 -6.692 -5.062 1.444 1.00 61.52 H new ATOM 379 N THR A 76 -9.500 -2.780 -2.215 1.00 0.14 N ATOM 380 CA THR A 76 -9.609 -1.395 -2.603 1.00 0.32 C ATOM 381 C THR A 76 -10.006 -0.527 -1.411 1.00 15.11 C ATOM 382 O THR A 76 -10.491 0.599 -1.562 1.00 62.05 O ATOM 383 CB THR A 76 -10.572 -1.224 -3.806 1.00 34.30 C ATOM 384 OG1 THR A 76 -11.739 -2.056 -3.638 1.00 74.14 O ATOM 385 CG2 THR A 76 -9.875 -1.586 -5.111 1.00 64.45 C ATOM 0 H THR A 76 -10.393 -3.263 -2.111 1.00 0.14 H new ATOM 0 HA THR A 76 -8.629 -1.053 -2.936 1.00 0.32 H new ATOM 0 HB THR A 76 -10.877 -0.178 -3.846 1.00 34.30 H new ATOM 0 HG1 THR A 76 -12.339 -1.937 -4.404 1.00 74.14 H new ATOM 0 HG21 THR A 76 -10.569 -1.459 -5.942 1.00 64.45 H new ATOM 0 HG22 THR A 76 -9.013 -0.935 -5.256 1.00 64.45 H new ATOM 0 HG23 THR A 76 -9.544 -2.624 -5.071 1.00 64.45 H new ATOM 393 N PHE A 77 -9.771 -1.064 -0.227 1.00 73.32 N ATOM 394 CA PHE A 77 -10.014 -0.367 1.011 1.00 32.22 C ATOM 395 C PHE A 77 -8.693 0.167 1.527 1.00 43.31 C ATOM 396 O PHE A 77 -7.645 -0.498 1.387 1.00 14.02 O ATOM 397 CB PHE A 77 -10.655 -1.292 2.053 1.00 4.32 C ATOM 398 CG PHE A 77 -12.014 -1.809 1.665 1.00 54.01 C ATOM 399 CD1 PHE A 77 -13.147 -1.048 1.898 1.00 34.41 C ATOM 400 CD2 PHE A 77 -12.159 -3.055 1.075 1.00 13.41 C ATOM 401 CE1 PHE A 77 -14.397 -1.519 1.551 1.00 35.43 C ATOM 402 CE2 PHE A 77 -13.407 -3.532 0.725 1.00 13.24 C ATOM 403 CZ PHE A 77 -14.528 -2.760 0.964 1.00 50.13 C ATOM 0 H PHE A 77 -9.402 -2.007 -0.103 1.00 73.32 H new ATOM 0 HA PHE A 77 -10.709 0.453 0.831 1.00 32.22 H new ATOM 0 HB2 PHE A 77 -9.992 -2.140 2.227 1.00 4.32 H new ATOM 0 HB3 PHE A 77 -10.739 -0.754 2.997 1.00 4.32 H new ATOM 0 HD1 PHE A 77 -13.052 -0.075 2.356 1.00 34.41 H new ATOM 0 HD2 PHE A 77 -11.285 -3.661 0.887 1.00 13.41 H new ATOM 0 HE1 PHE A 77 -15.273 -0.916 1.739 1.00 35.43 H new ATOM 0 HE2 PHE A 77 -13.506 -4.505 0.266 1.00 13.24 H new ATOM 0 HZ PHE A 77 -15.506 -3.128 0.691 1.00 50.13 H new ATOM 413 N GLN A 78 -8.731 1.330 2.115 1.00 34.24 N ATOM 414 CA GLN A 78 -7.544 1.998 2.570 1.00 35.14 C ATOM 415 C GLN A 78 -7.725 2.596 3.949 1.00 65.11 C ATOM 416 O GLN A 78 -8.778 3.125 4.274 1.00 32.20 O ATOM 417 CB GLN A 78 -7.133 3.089 1.569 1.00 21.14 C ATOM 418 CG GLN A 78 -6.163 4.100 2.140 1.00 54.43 C ATOM 419 CD GLN A 78 -5.633 5.058 1.133 1.00 44.11 C ATOM 420 OE1 GLN A 78 -6.208 6.100 0.862 1.00 0.03 O ATOM 421 NE2 GLN A 78 -4.495 4.761 0.653 1.00 32.41 N ATOM 0 H GLN A 78 -9.593 1.845 2.293 1.00 34.24 H new ATOM 0 HA GLN A 78 -6.752 1.252 2.637 1.00 35.14 H new ATOM 0 HB2 GLN A 78 -6.682 2.618 0.696 1.00 21.14 H new ATOM 0 HB3 GLN A 78 -8.027 3.610 1.224 1.00 21.14 H new ATOM 0 HG2 GLN A 78 -6.660 4.659 2.933 1.00 54.43 H new ATOM 0 HG3 GLN A 78 -5.328 3.570 2.598 1.00 54.43 H new ATOM 0 HE21 GLN A 78 -4.049 3.879 0.906 1.00 32.41 H new ATOM 0 HE22 GLN A 78 -4.027 5.404 0.015 1.00 32.41 H new ATOM 430 N THR A 79 -6.687 2.517 4.735 1.00 44.22 N ATOM 431 CA THR A 79 -6.670 3.120 6.022 1.00 31.24 C ATOM 432 C THR A 79 -5.264 3.645 6.315 1.00 74.32 C ATOM 433 O THR A 79 -4.280 2.959 6.066 1.00 74.15 O ATOM 434 CB THR A 79 -7.142 2.146 7.143 1.00 0.22 C ATOM 435 OG1 THR A 79 -7.012 2.772 8.430 1.00 23.34 O ATOM 436 CG2 THR A 79 -6.344 0.851 7.125 1.00 2.42 C ATOM 0 H THR A 79 -5.827 2.027 4.491 1.00 44.22 H new ATOM 0 HA THR A 79 -7.379 3.948 6.016 1.00 31.24 H new ATOM 0 HB THR A 79 -8.189 1.907 6.956 1.00 0.22 H new ATOM 0 HG1 THR A 79 -7.141 3.739 8.338 1.00 23.34 H new ATOM 0 HG21 THR A 79 -6.698 0.194 7.919 1.00 2.42 H new ATOM 0 HG22 THR A 79 -6.473 0.358 6.162 1.00 2.42 H new ATOM 0 HG23 THR A 79 -5.288 1.072 7.281 1.00 2.42 H new ATOM 444 N PRO A 80 -5.145 4.912 6.713 1.00 4.43 N ATOM 445 CA PRO A 80 -3.867 5.493 7.160 1.00 31.03 C ATOM 446 C PRO A 80 -3.438 4.983 8.537 1.00 42.41 C ATOM 447 O PRO A 80 -2.350 5.305 9.022 1.00 61.25 O ATOM 448 CB PRO A 80 -4.142 6.992 7.194 1.00 2.31 C ATOM 449 CG PRO A 80 -5.614 7.103 7.359 1.00 32.14 C ATOM 450 CD PRO A 80 -6.207 5.927 6.643 1.00 52.25 C ATOM 0 HA PRO A 80 -3.046 5.219 6.498 1.00 31.03 H new ATOM 0 HB2 PRO A 80 -3.614 7.473 8.018 1.00 2.31 H new ATOM 0 HB3 PRO A 80 -3.809 7.476 6.276 1.00 2.31 H new ATOM 0 HG2 PRO A 80 -5.889 7.095 8.414 1.00 32.14 H new ATOM 0 HG3 PRO A 80 -5.983 8.039 6.941 1.00 32.14 H new ATOM 0 HD2 PRO A 80 -7.123 5.584 7.124 1.00 52.25 H new ATOM 0 HD3 PRO A 80 -6.461 6.171 5.612 1.00 52.25 H new ATOM 458 N ASP A 81 -4.281 4.193 9.155 1.00 54.04 N ATOM 459 CA ASP A 81 -3.956 3.592 10.415 1.00 54.31 C ATOM 460 C ASP A 81 -3.328 2.276 10.165 1.00 14.50 C ATOM 461 O ASP A 81 -3.985 1.357 9.690 1.00 55.32 O ATOM 462 CB ASP A 81 -5.174 3.394 11.321 1.00 10.42 C ATOM 463 CG ASP A 81 -5.624 4.638 12.021 1.00 65.14 C ATOM 464 OD1 ASP A 81 -5.012 5.000 13.051 1.00 41.30 O ATOM 465 OD2 ASP A 81 -6.616 5.253 11.596 1.00 53.30 O ATOM 0 H ASP A 81 -5.205 3.952 8.797 1.00 54.04 H new ATOM 0 HA ASP A 81 -3.278 4.271 10.932 1.00 54.31 H new ATOM 0 HB2 ASP A 81 -5.999 3.008 10.723 1.00 10.42 H new ATOM 0 HB3 ASP A 81 -4.939 2.635 12.067 1.00 10.42 H new ATOM 470 N LEU A 82 -2.056 2.185 10.460 1.00 12.51 N ATOM 471 CA LEU A 82 -1.286 0.981 10.291 1.00 52.44 C ATOM 472 C LEU A 82 -1.956 -0.162 11.041 1.00 72.42 C ATOM 473 O LEU A 82 -2.064 -1.259 10.509 1.00 35.12 O ATOM 474 CB LEU A 82 0.144 1.191 10.824 1.00 2.40 C ATOM 475 CG LEU A 82 1.286 0.356 10.185 1.00 54.13 C ATOM 476 CD1 LEU A 82 0.994 -1.126 10.195 1.00 20.52 C ATOM 477 CD2 LEU A 82 1.545 0.821 8.782 1.00 34.03 C ATOM 0 H LEU A 82 -1.515 2.965 10.833 1.00 12.51 H new ATOM 0 HA LEU A 82 -1.234 0.735 9.230 1.00 52.44 H new ATOM 0 HB2 LEU A 82 0.394 2.245 10.706 1.00 2.40 H new ATOM 0 HB3 LEU A 82 0.136 0.984 11.894 1.00 2.40 H new ATOM 0 HG LEU A 82 2.177 0.513 10.793 1.00 54.13 H new ATOM 0 HD11 LEU A 82 1.824 -1.664 9.737 1.00 20.52 H new ATOM 0 HD12 LEU A 82 0.866 -1.465 11.223 1.00 20.52 H new ATOM 0 HD13 LEU A 82 0.081 -1.321 9.632 1.00 20.52 H new ATOM 0 HD21 LEU A 82 2.348 0.228 8.344 1.00 34.03 H new ATOM 0 HD22 LEU A 82 0.640 0.702 8.186 1.00 34.03 H new ATOM 0 HD23 LEU A 82 1.835 1.872 8.795 1.00 34.03 H new ATOM 489 N ASN A 83 -2.456 0.110 12.252 1.00 53.40 N ATOM 490 CA ASN A 83 -3.084 -0.909 13.044 1.00 43.30 C ATOM 491 C ASN A 83 -4.274 -1.461 12.310 1.00 23.13 C ATOM 492 O ASN A 83 -4.420 -2.649 12.186 1.00 30.25 O ATOM 493 CB ASN A 83 -3.549 -0.355 14.370 1.00 4.33 C ATOM 494 CG ASN A 83 -4.057 -1.446 15.273 1.00 75.11 C ATOM 495 OD1 ASN A 83 -3.301 -2.050 16.025 1.00 2.04 O ATOM 496 ND2 ASN A 83 -5.318 -1.713 15.204 1.00 31.42 N ATOM 0 H ASN A 83 -2.429 1.031 12.689 1.00 53.40 H new ATOM 0 HA ASN A 83 -2.351 -1.695 13.224 1.00 43.30 H new ATOM 0 HB2 ASN A 83 -2.726 0.168 14.856 1.00 4.33 H new ATOM 0 HB3 ASN A 83 -4.338 0.378 14.203 1.00 4.33 H new ATOM 0 HD21 ASN A 83 -5.716 -2.448 15.788 1.00 31.42 H new ATOM 0 HD22 ASN A 83 -5.916 -1.188 14.566 1.00 31.42 H new ATOM 503 N MET A 84 -5.088 -0.575 11.767 1.00 0.22 N ATOM 504 CA MET A 84 -6.301 -0.987 11.070 1.00 20.25 C ATOM 505 C MET A 84 -5.934 -1.648 9.774 1.00 51.34 C ATOM 506 O MET A 84 -6.638 -2.539 9.290 1.00 62.32 O ATOM 507 CB MET A 84 -7.226 0.193 10.798 1.00 75.24 C ATOM 508 CG MET A 84 -7.592 0.981 12.025 1.00 65.24 C ATOM 509 SD MET A 84 -8.353 -0.023 13.315 1.00 4.44 S ATOM 510 CE MET A 84 -8.700 1.245 14.543 1.00 71.22 C ATOM 0 H MET A 84 -4.935 0.433 11.793 1.00 0.22 H new ATOM 0 HA MET A 84 -6.835 -1.688 11.712 1.00 20.25 H new ATOM 0 HB2 MET A 84 -6.746 0.859 10.081 1.00 75.24 H new ATOM 0 HB3 MET A 84 -8.139 -0.175 10.330 1.00 75.24 H new ATOM 0 HG2 MET A 84 -6.696 1.456 12.425 1.00 65.24 H new ATOM 0 HG3 MET A 84 -8.278 1.780 11.744 1.00 65.24 H new ATOM 0 HE1 MET A 84 -9.175 0.790 15.412 1.00 71.22 H new ATOM 0 HE2 MET A 84 -7.768 1.722 14.847 1.00 71.22 H new ATOM 0 HE3 MET A 84 -9.367 1.993 14.115 1.00 71.22 H new ATOM 520 N PHE A 85 -4.824 -1.209 9.201 1.00 33.32 N ATOM 521 CA PHE A 85 -4.330 -1.795 7.991 1.00 74.34 C ATOM 522 C PHE A 85 -3.926 -3.225 8.237 1.00 72.54 C ATOM 523 O PHE A 85 -4.503 -4.127 7.661 1.00 41.11 O ATOM 524 CB PHE A 85 -3.144 -0.980 7.432 1.00 43.45 C ATOM 525 CG PHE A 85 -2.416 -1.660 6.298 1.00 43.11 C ATOM 526 CD1 PHE A 85 -2.963 -1.718 5.017 1.00 64.15 C ATOM 527 CD2 PHE A 85 -1.183 -2.258 6.522 1.00 1.34 C ATOM 528 CE1 PHE A 85 -2.291 -2.357 3.995 1.00 15.14 C ATOM 529 CE2 PHE A 85 -0.513 -2.898 5.501 1.00 54.54 C ATOM 530 CZ PHE A 85 -1.068 -2.946 4.237 1.00 52.42 C ATOM 0 H PHE A 85 -4.255 -0.445 9.566 1.00 33.32 H new ATOM 0 HA PHE A 85 -5.126 -1.781 7.247 1.00 74.34 H new ATOM 0 HB2 PHE A 85 -3.510 -0.013 7.088 1.00 43.45 H new ATOM 0 HB3 PHE A 85 -2.438 -0.784 8.239 1.00 43.45 H new ATOM 0 HD1 PHE A 85 -3.921 -1.259 4.823 1.00 64.15 H new ATOM 0 HD2 PHE A 85 -0.744 -2.221 7.508 1.00 1.34 H new ATOM 0 HE1 PHE A 85 -2.723 -2.396 3.006 1.00 15.14 H new ATOM 0 HE2 PHE A 85 0.444 -3.361 5.689 1.00 54.54 H new ATOM 0 HZ PHE A 85 -0.543 -3.446 3.437 1.00 52.42 H new ATOM 540 N THR A 86 -3.051 -3.438 9.187 1.00 72.32 N ATOM 541 CA THR A 86 -2.564 -4.762 9.448 1.00 4.41 C ATOM 542 C THR A 86 -3.634 -5.628 10.082 1.00 64.32 C ATOM 543 O THR A 86 -3.604 -6.839 9.929 1.00 22.41 O ATOM 544 CB THR A 86 -1.227 -4.804 10.255 1.00 45.25 C ATOM 545 OG1 THR A 86 -0.805 -6.169 10.443 1.00 35.34 O ATOM 546 CG2 THR A 86 -1.360 -4.125 11.603 1.00 40.12 C ATOM 0 H THR A 86 -2.664 -2.711 9.789 1.00 72.32 H new ATOM 0 HA THR A 86 -2.318 -5.182 8.473 1.00 4.41 H new ATOM 0 HB THR A 86 -0.479 -4.261 9.676 1.00 45.25 H new ATOM 0 HG1 THR A 86 0.034 -6.185 10.948 1.00 35.34 H new ATOM 0 HG21 THR A 86 -0.408 -4.176 12.132 1.00 40.12 H new ATOM 0 HG22 THR A 86 -1.639 -3.081 11.459 1.00 40.12 H new ATOM 0 HG23 THR A 86 -2.129 -4.628 12.190 1.00 40.12 H new ATOM 554 N PHE A 87 -4.577 -5.005 10.769 1.00 61.05 N ATOM 555 CA PHE A 87 -5.689 -5.716 11.346 1.00 62.23 C ATOM 556 C PHE A 87 -6.572 -6.290 10.254 1.00 45.43 C ATOM 557 O PHE A 87 -6.805 -7.494 10.217 1.00 51.41 O ATOM 558 CB PHE A 87 -6.500 -4.826 12.314 1.00 3.31 C ATOM 559 CG PHE A 87 -7.854 -5.390 12.682 1.00 35.20 C ATOM 560 CD1 PHE A 87 -7.974 -6.651 13.254 1.00 63.22 C ATOM 561 CD2 PHE A 87 -9.003 -4.653 12.460 1.00 22.01 C ATOM 562 CE1 PHE A 87 -9.213 -7.162 13.594 1.00 42.23 C ATOM 563 CE2 PHE A 87 -10.245 -5.157 12.797 1.00 73.11 C ATOM 564 CZ PHE A 87 -10.351 -6.414 13.366 1.00 41.55 C ATOM 0 H PHE A 87 -4.587 -3.999 10.938 1.00 61.05 H new ATOM 0 HA PHE A 87 -5.289 -6.541 11.935 1.00 62.23 H new ATOM 0 HB2 PHE A 87 -5.921 -4.676 13.225 1.00 3.31 H new ATOM 0 HB3 PHE A 87 -6.638 -3.845 11.859 1.00 3.31 H new ATOM 0 HD1 PHE A 87 -7.087 -7.240 13.435 1.00 63.22 H new ATOM 0 HD2 PHE A 87 -8.929 -3.671 12.017 1.00 22.01 H new ATOM 0 HE1 PHE A 87 -9.290 -8.144 14.037 1.00 42.23 H new ATOM 0 HE2 PHE A 87 -11.133 -4.570 12.616 1.00 73.11 H new ATOM 0 HZ PHE A 87 -11.321 -6.809 13.631 1.00 41.55 H new ATOM 574 N HIS A 88 -7.020 -5.446 9.333 1.00 1.14 N ATOM 575 CA HIS A 88 -7.901 -5.919 8.284 1.00 53.21 C ATOM 576 C HIS A 88 -7.134 -6.855 7.352 1.00 32.20 C ATOM 577 O HIS A 88 -7.701 -7.757 6.761 1.00 3.04 O ATOM 578 CB HIS A 88 -8.632 -4.762 7.530 1.00 4.15 C ATOM 579 CG HIS A 88 -7.933 -4.166 6.328 1.00 32.15 C ATOM 580 ND1 HIS A 88 -7.242 -2.979 6.341 1.00 51.21 N ATOM 581 CD2 HIS A 88 -7.887 -4.622 5.045 1.00 53.11 C ATOM 582 CE1 HIS A 88 -6.803 -2.736 5.108 1.00 54.42 C ATOM 583 NE2 HIS A 88 -7.172 -3.728 4.254 1.00 0.45 N ATOM 0 H HIS A 88 -6.792 -4.453 9.293 1.00 1.14 H new ATOM 0 HA HIS A 88 -8.707 -6.489 8.747 1.00 53.21 H new ATOM 0 HB2 HIS A 88 -9.604 -5.133 7.205 1.00 4.15 H new ATOM 0 HB3 HIS A 88 -8.819 -3.960 8.244 1.00 4.15 H new ATOM 0 HD1 HIS A 88 -7.091 -2.385 7.156 1.00 51.21 H new ATOM 0 HD2 HIS A 88 -8.337 -5.539 4.695 1.00 53.11 H new ATOM 0 HE1 HIS A 88 -6.230 -1.866 4.823 1.00 54.42 H new ATOM 591 N VAL A 89 -5.831 -6.626 7.240 1.00 24.23 N ATOM 592 CA VAL A 89 -4.975 -7.485 6.456 1.00 22.42 C ATOM 593 C VAL A 89 -4.922 -8.849 7.091 1.00 45.13 C ATOM 594 O VAL A 89 -5.287 -9.795 6.476 1.00 4.43 O ATOM 595 CB VAL A 89 -3.537 -6.916 6.267 1.00 43.21 C ATOM 596 CG1 VAL A 89 -2.599 -7.957 5.676 1.00 1.20 C ATOM 597 CG2 VAL A 89 -3.555 -5.699 5.360 1.00 73.31 C ATOM 0 H VAL A 89 -5.349 -5.846 7.688 1.00 24.23 H new ATOM 0 HA VAL A 89 -5.408 -7.549 5.458 1.00 22.42 H new ATOM 0 HB VAL A 89 -3.174 -6.633 7.255 1.00 43.21 H new ATOM 0 HG11 VAL A 89 -1.605 -7.526 5.558 1.00 1.20 H new ATOM 0 HG12 VAL A 89 -2.544 -8.818 6.343 1.00 1.20 H new ATOM 0 HG13 VAL A 89 -2.975 -8.275 4.703 1.00 1.20 H new ATOM 0 HG21 VAL A 89 -2.541 -5.318 5.242 1.00 73.31 H new ATOM 0 HG22 VAL A 89 -3.954 -5.978 4.385 1.00 73.31 H new ATOM 0 HG23 VAL A 89 -4.184 -4.926 5.801 1.00 73.31 H new ATOM 607 N ASP A 90 -4.566 -8.909 8.360 1.00 15.12 N ATOM 608 CA ASP A 90 -4.437 -10.188 9.083 1.00 12.40 C ATOM 609 C ASP A 90 -5.767 -10.926 9.099 1.00 43.45 C ATOM 610 O ASP A 90 -5.821 -12.151 9.091 1.00 15.34 O ATOM 611 CB ASP A 90 -3.979 -9.939 10.521 1.00 12.53 C ATOM 612 CG ASP A 90 -3.696 -11.209 11.286 1.00 42.15 C ATOM 613 OD1 ASP A 90 -4.617 -11.776 11.920 1.00 32.04 O ATOM 614 OD2 ASP A 90 -2.529 -11.648 11.295 1.00 4.43 O ATOM 0 H ASP A 90 -4.357 -8.087 8.927 1.00 15.12 H new ATOM 0 HA ASP A 90 -3.695 -10.798 8.567 1.00 12.40 H new ATOM 0 HB2 ASP A 90 -3.080 -9.323 10.507 1.00 12.53 H new ATOM 0 HB3 ASP A 90 -4.746 -9.370 11.046 1.00 12.53 H new ATOM 619 N SER A 91 -6.822 -10.164 9.070 1.00 14.21 N ATOM 620 CA SER A 91 -8.145 -10.686 9.100 1.00 20.13 C ATOM 621 C SER A 91 -8.553 -11.233 7.719 1.00 11.14 C ATOM 622 O SER A 91 -9.001 -12.388 7.605 1.00 10.51 O ATOM 623 CB SER A 91 -9.108 -9.573 9.573 1.00 51.11 C ATOM 624 OG SER A 91 -10.465 -10.016 9.696 1.00 32.22 O ATOM 0 H SER A 91 -6.779 -9.146 9.024 1.00 14.21 H new ATOM 0 HA SER A 91 -8.193 -11.522 9.798 1.00 20.13 H new ATOM 0 HB2 SER A 91 -8.768 -9.192 10.536 1.00 51.11 H new ATOM 0 HB3 SER A 91 -9.066 -8.742 8.869 1.00 51.11 H new ATOM 0 HG SER A 91 -10.881 -10.047 8.809 1.00 32.22 H new ATOM 630 N GLU A 92 -8.357 -10.446 6.675 1.00 24.24 N ATOM 631 CA GLU A 92 -8.909 -10.805 5.367 1.00 63.20 C ATOM 632 C GLU A 92 -7.874 -11.361 4.392 1.00 73.22 C ATOM 633 O GLU A 92 -8.187 -12.219 3.557 1.00 72.32 O ATOM 634 CB GLU A 92 -9.621 -9.605 4.749 1.00 3.02 C ATOM 635 CG GLU A 92 -10.676 -8.991 5.658 1.00 72.34 C ATOM 636 CD GLU A 92 -11.661 -10.014 6.176 1.00 31.14 C ATOM 637 OE1 GLU A 92 -12.384 -10.642 5.372 1.00 2.20 O ATOM 638 OE2 GLU A 92 -11.704 -10.241 7.407 1.00 21.12 O ATOM 0 H GLU A 92 -7.833 -9.571 6.698 1.00 24.24 H new ATOM 0 HA GLU A 92 -9.620 -11.611 5.549 1.00 63.20 H new ATOM 0 HB2 GLU A 92 -8.882 -8.844 4.497 1.00 3.02 H new ATOM 0 HB3 GLU A 92 -10.092 -9.913 3.815 1.00 3.02 H new ATOM 0 HG2 GLU A 92 -10.186 -8.504 6.501 1.00 72.34 H new ATOM 0 HG3 GLU A 92 -11.215 -8.217 5.112 1.00 72.34 H new ATOM 645 N HIS A 93 -6.668 -10.895 4.498 1.00 75.20 N ATOM 646 CA HIS A 93 -5.589 -11.291 3.615 1.00 50.11 C ATOM 647 C HIS A 93 -4.278 -11.506 4.394 1.00 45.20 C ATOM 648 O HIS A 93 -3.288 -10.823 4.140 1.00 70.22 O ATOM 649 CB HIS A 93 -5.387 -10.259 2.459 1.00 64.51 C ATOM 650 CG HIS A 93 -6.097 -8.897 2.585 1.00 11.11 C ATOM 651 ND1 HIS A 93 -7.373 -8.664 2.126 1.00 22.24 N ATOM 652 CD2 HIS A 93 -5.659 -7.698 3.077 1.00 44.34 C ATOM 653 CE1 HIS A 93 -7.684 -7.385 2.334 1.00 4.50 C ATOM 654 NE2 HIS A 93 -6.669 -6.714 2.915 1.00 52.54 N ATOM 0 H HIS A 93 -6.390 -10.218 5.208 1.00 75.20 H new ATOM 0 HA HIS A 93 -5.872 -12.243 3.165 1.00 50.11 H new ATOM 0 HB2 HIS A 93 -4.318 -10.072 2.359 1.00 64.51 H new ATOM 0 HB3 HIS A 93 -5.718 -10.725 1.531 1.00 64.51 H new ATOM 0 HD2 HIS A 93 -4.690 -7.526 3.522 1.00 44.34 H new ATOM 0 HE1 HIS A 93 -8.632 -6.941 2.070 1.00 4.50 H new ATOM 0 HE2 HIS A 93 -6.635 -5.729 3.177 1.00 52.54 H new ATOM 755 N SER A 100 4.132 -9.912 -8.675 1.00 11.50 N ATOM 756 CA SER A 100 5.071 -8.827 -8.430 1.00 54.31 C ATOM 757 C SER A 100 4.321 -7.536 -8.146 1.00 31.11 C ATOM 758 O SER A 100 3.326 -7.235 -8.804 1.00 32.14 O ATOM 759 CB SER A 100 6.053 -8.674 -9.604 1.00 11.35 C ATOM 760 OG SER A 100 5.374 -8.561 -10.856 1.00 12.23 O ATOM 0 HA SER A 100 5.664 -9.068 -7.548 1.00 54.31 H new ATOM 0 HB2 SER A 100 6.673 -7.791 -9.446 1.00 11.35 H new ATOM 0 HB3 SER A 100 6.723 -9.533 -9.631 1.00 11.35 H new ATOM 0 HG SER A 100 4.487 -8.972 -10.785 1.00 12.23 H new ATOM 766 N SER A 101 4.753 -6.812 -7.134 1.00 72.34 N ATOM 767 CA SER A 101 4.122 -5.624 -6.668 1.00 64.44 C ATOM 768 C SER A 101 5.117 -4.846 -5.844 1.00 33.32 C ATOM 769 O SER A 101 6.235 -5.337 -5.607 1.00 14.10 O ATOM 770 CB SER A 101 2.939 -6.006 -5.813 1.00 33.04 C ATOM 771 OG SER A 101 1.989 -6.713 -6.573 1.00 64.24 O ATOM 0 H SER A 101 5.588 -7.057 -6.602 1.00 72.34 H new ATOM 0 HA SER A 101 3.782 -5.015 -7.505 1.00 64.44 H new ATOM 0 HB2 SER A 101 3.271 -6.618 -4.975 1.00 33.04 H new ATOM 0 HB3 SER A 101 2.483 -5.110 -5.392 1.00 33.04 H new ATOM 0 HG SER A 101 2.214 -6.644 -7.524 1.00 64.24 H new ATOM 777 N TYR A 102 4.726 -3.674 -5.416 1.00 62.45 N ATOM 778 CA TYR A 102 5.562 -2.819 -4.627 1.00 23.42 C ATOM 779 C TYR A 102 4.972 -2.613 -3.258 1.00 3.14 C ATOM 780 O TYR A 102 3.747 -2.479 -3.102 1.00 31.00 O ATOM 781 CB TYR A 102 5.737 -1.472 -5.289 1.00 61.43 C ATOM 782 CG TYR A 102 6.768 -1.359 -6.387 1.00 74.22 C ATOM 783 CD1 TYR A 102 7.104 -2.427 -7.205 1.00 70.34 C ATOM 784 CD2 TYR A 102 7.388 -0.145 -6.612 1.00 23.25 C ATOM 785 CE1 TYR A 102 8.031 -2.286 -8.214 1.00 34.21 C ATOM 786 CE2 TYR A 102 8.318 0.004 -7.616 1.00 35.12 C ATOM 787 CZ TYR A 102 8.635 -1.068 -8.413 1.00 54.42 C ATOM 788 OH TYR A 102 9.562 -0.919 -9.424 1.00 14.33 O ATOM 0 H TYR A 102 3.804 -3.285 -5.611 1.00 62.45 H new ATOM 0 HA TYR A 102 6.533 -3.306 -4.538 1.00 23.42 H new ATOM 0 HB2 TYR A 102 4.773 -1.173 -5.702 1.00 61.43 H new ATOM 0 HB3 TYR A 102 5.991 -0.748 -4.515 1.00 61.43 H new ATOM 0 HD1 TYR A 102 6.631 -3.385 -7.048 1.00 70.34 H new ATOM 0 HD2 TYR A 102 7.139 0.702 -5.990 1.00 23.25 H new ATOM 0 HE1 TYR A 102 8.281 -3.127 -8.844 1.00 34.21 H new ATOM 0 HE2 TYR A 102 8.796 0.959 -7.776 1.00 35.12 H new ATOM 0 HH TYR A 102 9.893 0.003 -9.431 1.00 14.33 H new ATOM 798 N VAL A 103 5.829 -2.604 -2.286 1.00 42.44 N ATOM 799 CA VAL A 103 5.466 -2.385 -0.917 1.00 1.35 C ATOM 800 C VAL A 103 6.397 -1.326 -0.319 1.00 12.32 C ATOM 801 O VAL A 103 7.569 -1.274 -0.637 1.00 4.34 O ATOM 802 CB VAL A 103 5.573 -3.730 -0.116 1.00 30.33 C ATOM 803 CG1 VAL A 103 6.933 -4.259 -0.170 1.00 33.23 C ATOM 804 CG2 VAL A 103 5.175 -3.617 1.325 1.00 62.32 C ATOM 0 H VAL A 103 6.829 -2.753 -2.424 1.00 42.44 H new ATOM 0 HA VAL A 103 4.436 -2.032 -0.857 1.00 1.35 H new ATOM 0 HB VAL A 103 4.868 -4.403 -0.604 1.00 30.33 H new ATOM 0 HG11 VAL A 103 6.983 -5.192 0.392 1.00 33.23 H new ATOM 0 HG12 VAL A 103 7.210 -4.445 -1.208 1.00 33.23 H new ATOM 0 HG13 VAL A 103 7.622 -3.535 0.265 1.00 33.23 H new ATOM 0 HG21 VAL A 103 5.277 -4.589 1.808 1.00 62.32 H new ATOM 0 HG22 VAL A 103 5.820 -2.894 1.825 1.00 62.32 H new ATOM 0 HG23 VAL A 103 4.139 -3.286 1.391 1.00 62.32 H new ATOM 814 N CYS A 104 5.869 -0.466 0.491 1.00 62.25 N ATOM 815 CA CYS A 104 6.693 0.485 1.201 1.00 43.24 C ATOM 816 C CYS A 104 7.235 -0.256 2.366 1.00 24.32 C ATOM 817 O CYS A 104 6.494 -0.565 3.233 1.00 41.33 O ATOM 818 CB CYS A 104 5.831 1.694 1.662 1.00 14.14 C ATOM 819 SG CYS A 104 6.621 2.974 2.813 1.00 2.02 S ATOM 0 H CYS A 104 4.870 -0.395 0.684 1.00 62.25 H new ATOM 0 HA CYS A 104 7.493 0.886 0.579 1.00 43.24 H new ATOM 0 HB2 CYS A 104 5.488 2.217 0.769 1.00 14.14 H new ATOM 0 HB3 CYS A 104 4.946 1.300 2.161 1.00 14.14 H new ATOM 0 HG CYS A 104 6.046 2.924 3.978 1.00 2.02 H new ATOM 824 N VAL A 105 8.508 -0.620 2.339 1.00 25.45 N ATOM 825 CA VAL A 105 9.147 -1.373 3.438 1.00 22.41 C ATOM 826 C VAL A 105 9.019 -0.621 4.729 1.00 22.52 C ATOM 827 O VAL A 105 8.903 -1.204 5.801 1.00 64.15 O ATOM 828 CB VAL A 105 10.647 -1.568 3.212 1.00 1.44 C ATOM 829 CG1 VAL A 105 11.048 -2.930 3.537 1.00 31.24 C ATOM 830 CG2 VAL A 105 11.058 -1.236 1.838 1.00 40.51 C ATOM 0 H VAL A 105 9.136 -0.409 1.563 1.00 25.45 H new ATOM 0 HA VAL A 105 8.641 -2.338 3.471 1.00 22.41 H new ATOM 0 HB VAL A 105 11.155 -0.874 3.882 1.00 1.44 H new ATOM 0 HG11 VAL A 105 12.119 -3.044 3.368 1.00 31.24 H new ATOM 0 HG12 VAL A 105 10.821 -3.136 4.583 1.00 31.24 H new ATOM 0 HG13 VAL A 105 10.504 -3.630 2.903 1.00 31.24 H new ATOM 0 HG21 VAL A 105 12.132 -1.392 1.732 1.00 40.51 H new ATOM 0 HG22 VAL A 105 10.527 -1.877 1.134 1.00 40.51 H new ATOM 0 HG23 VAL A 105 10.820 -0.193 1.629 1.00 40.51 H new ATOM 840 N GLU A 106 9.010 0.676 4.595 1.00 61.01 N ATOM 841 CA GLU A 106 8.941 1.578 5.704 1.00 31.10 C ATOM 842 C GLU A 106 7.638 1.366 6.450 1.00 1.11 C ATOM 843 O GLU A 106 7.604 1.308 7.663 1.00 55.44 O ATOM 844 CB GLU A 106 8.992 3.017 5.195 1.00 1.21 C ATOM 845 CG GLU A 106 10.098 3.308 4.186 1.00 3.10 C ATOM 846 CD GLU A 106 11.486 3.233 4.766 1.00 14.42 C ATOM 847 OE1 GLU A 106 11.692 2.507 5.757 1.00 31.22 O ATOM 848 OE2 GLU A 106 12.389 3.916 4.233 1.00 74.42 O ATOM 0 H GLU A 106 9.052 1.143 3.689 1.00 61.01 H new ATOM 0 HA GLU A 106 9.783 1.392 6.371 1.00 31.10 H new ATOM 0 HB2 GLU A 106 8.032 3.259 4.738 1.00 1.21 H new ATOM 0 HB3 GLU A 106 9.116 3.684 6.048 1.00 1.21 H new ATOM 0 HG2 GLU A 106 10.020 2.599 3.361 1.00 3.10 H new ATOM 0 HG3 GLU A 106 9.943 4.302 3.767 1.00 3.10 H new ATOM 855 N CYS A 107 6.584 1.211 5.690 1.00 20.23 N ATOM 856 CA CYS A 107 5.240 1.067 6.267 1.00 65.12 C ATOM 857 C CYS A 107 4.766 -0.383 6.226 1.00 74.10 C ATOM 858 O CYS A 107 3.764 -0.725 6.827 1.00 14.33 O ATOM 859 CB CYS A 107 4.284 1.916 5.453 1.00 32.03 C ATOM 860 SG CYS A 107 4.867 3.640 5.196 1.00 52.02 S ATOM 0 H CYS A 107 6.613 1.179 4.671 1.00 20.23 H new ATOM 0 HA CYS A 107 5.269 1.385 7.309 1.00 65.12 H new ATOM 0 HB2 CYS A 107 4.130 1.445 4.482 1.00 32.03 H new ATOM 0 HB3 CYS A 107 3.316 1.940 5.953 1.00 32.03 H new ATOM 0 HG CYS A 107 4.945 3.886 3.922 1.00 52.02 H new ATOM 865 N ASN A 108 5.511 -1.204 5.506 1.00 4.23 N ATOM 866 CA ASN A 108 5.162 -2.588 5.212 1.00 4.44 C ATOM 867 C ASN A 108 3.739 -2.695 4.635 1.00 14.20 C ATOM 868 O ASN A 108 2.907 -3.464 5.121 1.00 20.03 O ATOM 869 CB ASN A 108 5.363 -3.468 6.438 1.00 54.35 C ATOM 870 CG ASN A 108 6.810 -3.782 6.754 1.00 43.35 C ATOM 871 OD1 ASN A 108 7.187 -3.917 7.925 1.00 71.34 O ATOM 872 ND2 ASN A 108 7.625 -3.956 5.745 1.00 71.24 N ATOM 0 H ASN A 108 6.401 -0.920 5.097 1.00 4.23 H new ATOM 0 HA ASN A 108 5.837 -2.957 4.440 1.00 4.44 H new ATOM 0 HB2 ASN A 108 4.914 -2.976 7.301 1.00 54.35 H new ATOM 0 HB3 ASN A 108 4.825 -4.404 6.290 1.00 54.35 H new ATOM 0 HD21 ASN A 108 8.598 -4.210 5.914 1.00 71.24 H new ATOM 0 HD22 ASN A 108 7.287 -3.838 4.790 1.00 71.24 H new ATOM 879 N PHE A 109 3.501 -1.972 3.540 1.00 31.44 N ATOM 880 CA PHE A 109 2.174 -1.927 2.932 1.00 64.11 C ATOM 881 C PHE A 109 2.290 -2.168 1.439 1.00 23.53 C ATOM 882 O PHE A 109 3.065 -1.484 0.746 1.00 23.25 O ATOM 883 CB PHE A 109 1.424 -0.589 3.247 1.00 74.34 C ATOM 884 CG PHE A 109 1.320 0.444 2.119 1.00 42.40 C ATOM 885 CD1 PHE A 109 0.261 0.402 1.223 1.00 0.52 C ATOM 886 CD2 PHE A 109 2.257 1.449 1.979 1.00 11.01 C ATOM 887 CE1 PHE A 109 0.140 1.350 0.208 1.00 22.44 C ATOM 888 CE2 PHE A 109 2.134 2.407 0.965 1.00 60.01 C ATOM 889 CZ PHE A 109 1.072 2.354 0.079 1.00 11.04 C ATOM 0 H PHE A 109 4.206 -1.413 3.060 1.00 31.44 H new ATOM 0 HA PHE A 109 1.569 -2.721 3.370 1.00 64.11 H new ATOM 0 HB2 PHE A 109 0.413 -0.838 3.570 1.00 74.34 H new ATOM 0 HB3 PHE A 109 1.922 -0.115 4.093 1.00 74.34 H new ATOM 0 HD1 PHE A 109 -0.481 -0.377 1.313 1.00 0.52 H new ATOM 0 HD2 PHE A 109 3.094 1.497 2.659 1.00 11.01 H new ATOM 0 HE1 PHE A 109 -0.690 1.296 -0.481 1.00 22.44 H new ATOM 0 HE2 PHE A 109 2.871 3.191 0.874 1.00 60.01 H new ATOM 0 HZ PHE A 109 0.976 3.092 -0.704 1.00 11.04 H new ATOM 899 N LEU A 110 1.584 -3.154 0.970 1.00 13.42 N ATOM 900 CA LEU A 110 1.582 -3.530 -0.424 1.00 55.51 C ATOM 901 C LEU A 110 0.424 -2.880 -1.096 1.00 12.23 C ATOM 902 O LEU A 110 -0.673 -2.921 -0.571 1.00 0.54 O ATOM 903 CB LEU A 110 1.435 -5.037 -0.572 1.00 20.12 C ATOM 904 CG LEU A 110 2.693 -5.859 -0.811 1.00 3.14 C ATOM 905 CD1 LEU A 110 2.345 -7.321 -0.681 1.00 35.13 C ATOM 906 CD2 LEU A 110 3.232 -5.591 -2.218 1.00 72.13 C ATOM 0 H LEU A 110 0.980 -3.734 1.552 1.00 13.42 H new ATOM 0 HA LEU A 110 2.523 -3.214 -0.873 1.00 55.51 H new ATOM 0 HB2 LEU A 110 0.956 -5.416 0.331 1.00 20.12 H new ATOM 0 HB3 LEU A 110 0.751 -5.226 -1.399 1.00 20.12 H new ATOM 0 HG LEU A 110 3.455 -5.585 -0.081 1.00 3.14 H new ATOM 0 HD11 LEU A 110 3.237 -7.924 -0.850 1.00 35.13 H new ATOM 0 HD12 LEU A 110 1.960 -7.516 0.320 1.00 35.13 H new ATOM 0 HD13 LEU A 110 1.586 -7.581 -1.419 1.00 35.13 H new ATOM 0 HD21 LEU A 110 4.133 -6.183 -2.382 1.00 72.13 H new ATOM 0 HD22 LEU A 110 2.478 -5.867 -2.955 1.00 72.13 H new ATOM 0 HD23 LEU A 110 3.470 -4.532 -2.321 1.00 72.13 H new ATOM 918 N THR A 111 0.652 -2.340 -2.249 1.00 41.10 N ATOM 919 CA THR A 111 -0.361 -1.663 -2.999 1.00 30.13 C ATOM 920 C THR A 111 -0.398 -2.237 -4.401 1.00 12.43 C ATOM 921 O THR A 111 0.532 -2.944 -4.814 1.00 51.41 O ATOM 922 CB THR A 111 -0.139 -0.121 -2.992 1.00 10.45 C ATOM 923 OG1 THR A 111 -0.968 0.558 -3.975 1.00 14.02 O ATOM 924 CG2 THR A 111 1.336 0.225 -3.183 1.00 30.52 C ATOM 0 H THR A 111 1.564 -2.356 -2.706 1.00 41.10 H new ATOM 0 HA THR A 111 -1.333 -1.825 -2.533 1.00 30.13 H new ATOM 0 HB THR A 111 -0.448 0.240 -2.011 1.00 10.45 H new ATOM 0 HG1 THR A 111 -1.906 0.517 -3.696 1.00 14.02 H new ATOM 0 HG21 THR A 111 1.460 1.308 -3.174 1.00 30.52 H new ATOM 0 HG22 THR A 111 1.920 -0.214 -2.374 1.00 30.52 H new ATOM 0 HG23 THR A 111 1.682 -0.172 -4.137 1.00 30.52 H new ATOM 932 N LYS A 112 -1.450 -1.955 -5.126 1.00 52.13 N ATOM 933 CA LYS A 112 -1.660 -2.541 -6.431 1.00 5.45 C ATOM 934 C LYS A 112 -1.001 -1.724 -7.529 1.00 4.51 C ATOM 935 O LYS A 112 -1.034 -2.106 -8.702 1.00 51.30 O ATOM 936 CB LYS A 112 -3.160 -2.721 -6.702 1.00 71.35 C ATOM 937 CG LYS A 112 -3.961 -1.432 -6.653 1.00 3.52 C ATOM 938 CD LYS A 112 -5.451 -1.666 -6.882 1.00 30.21 C ATOM 939 CE LYS A 112 -6.105 -2.449 -5.744 1.00 74.42 C ATOM 940 NZ LYS A 112 -5.954 -1.762 -4.446 1.00 63.12 N ATOM 0 H LYS A 112 -2.186 -1.314 -4.831 1.00 52.13 H new ATOM 0 HA LYS A 112 -1.187 -3.523 -6.435 1.00 5.45 H new ATOM 0 HB2 LYS A 112 -3.288 -3.178 -7.683 1.00 71.35 H new ATOM 0 HB3 LYS A 112 -3.569 -3.418 -5.970 1.00 71.35 H new ATOM 0 HG2 LYS A 112 -3.815 -0.953 -5.685 1.00 3.52 H new ATOM 0 HG3 LYS A 112 -3.583 -0.743 -7.409 1.00 3.52 H new ATOM 0 HD2 LYS A 112 -5.953 -0.705 -6.992 1.00 30.21 H new ATOM 0 HD3 LYS A 112 -5.590 -2.208 -7.818 1.00 30.21 H new ATOM 0 HE2 LYS A 112 -7.164 -2.588 -5.960 1.00 74.42 H new ATOM 0 HE3 LYS A 112 -5.659 -3.442 -5.683 1.00 74.42 H new ATOM 0 HZ1 LYS A 112 -6.701 -2.080 -3.796 1.00 63.12 H new ATOM 0 HZ2 LYS A 112 -5.023 -1.986 -4.041 1.00 63.12 H new ATOM 0 HZ3 LYS A 112 -6.032 -0.734 -4.586 1.00 63.12 H new ATOM 954 N ARG A 113 -0.373 -0.640 -7.150 1.00 20.20 N ATOM 955 CA ARG A 113 0.266 0.239 -8.097 1.00 61.42 C ATOM 956 C ARG A 113 1.581 0.756 -7.543 1.00 73.13 C ATOM 957 O ARG A 113 1.677 1.065 -6.360 1.00 42.12 O ATOM 958 CB ARG A 113 -0.673 1.391 -8.441 1.00 51.42 C ATOM 959 CG ARG A 113 -1.194 2.152 -7.229 1.00 4.42 C ATOM 960 CD ARG A 113 -2.219 3.189 -7.628 1.00 12.51 C ATOM 961 NE ARG A 113 -3.306 2.590 -8.432 1.00 54.44 N ATOM 962 CZ ARG A 113 -4.416 1.982 -7.942 1.00 40.22 C ATOM 963 NH1 ARG A 113 -4.641 1.953 -6.632 1.00 1.22 N ATOM 964 NH2 ARG A 113 -5.288 1.427 -8.785 1.00 10.43 N ATOM 0 H ARG A 113 -0.290 -0.342 -6.178 1.00 20.20 H new ATOM 0 HA ARG A 113 0.486 -0.317 -9.008 1.00 61.42 H new ATOM 0 HB2 ARG A 113 -0.151 2.088 -9.097 1.00 51.42 H new ATOM 0 HB3 ARG A 113 -1.521 0.999 -9.003 1.00 51.42 H new ATOM 0 HG2 ARG A 113 -1.639 1.452 -6.522 1.00 4.42 H new ATOM 0 HG3 ARG A 113 -0.363 2.638 -6.717 1.00 4.42 H new ATOM 0 HD2 ARG A 113 -2.638 3.652 -6.734 1.00 12.51 H new ATOM 0 HD3 ARG A 113 -1.735 3.981 -8.200 1.00 12.51 H new ATOM 0 HE ARG A 113 -3.213 2.638 -9.447 1.00 54.44 H new ATOM 0 HH11 ARG A 113 -3.978 2.389 -5.991 1.00 1.22 H new ATOM 0 HH12 ARG A 113 -5.477 1.495 -6.268 1.00 1.22 H new ATOM 0 HH21 ARG A 113 -5.118 1.461 -9.790 1.00 10.43 H new ATOM 0 HH22 ARG A 113 -6.125 0.968 -8.424 1.00 10.43 H new ATOM 978 N TYR A 114 2.581 0.872 -8.402 1.00 64.04 N ATOM 979 CA TYR A 114 3.916 1.351 -8.015 1.00 5.25 C ATOM 980 C TYR A 114 3.841 2.836 -7.621 1.00 2.34 C ATOM 981 O TYR A 114 4.686 3.364 -6.890 1.00 45.52 O ATOM 982 CB TYR A 114 4.916 1.175 -9.192 1.00 21.25 C ATOM 983 CG TYR A 114 4.638 2.077 -10.389 1.00 70.53 C ATOM 984 CD1 TYR A 114 3.609 1.794 -11.278 1.00 51.20 C ATOM 985 CD2 TYR A 114 5.385 3.230 -10.602 1.00 61.40 C ATOM 986 CE1 TYR A 114 3.337 2.627 -12.342 1.00 2.12 C ATOM 987 CE2 TYR A 114 5.113 4.070 -11.658 1.00 73.32 C ATOM 988 CZ TYR A 114 4.089 3.764 -12.525 1.00 62.14 C ATOM 989 OH TYR A 114 3.802 4.612 -13.574 1.00 10.44 O ATOM 0 H TYR A 114 2.499 0.638 -9.391 1.00 64.04 H new ATOM 0 HA TYR A 114 4.265 0.765 -7.165 1.00 5.25 H new ATOM 0 HB2 TYR A 114 5.925 1.372 -8.829 1.00 21.25 H new ATOM 0 HB3 TYR A 114 4.893 0.136 -9.521 1.00 21.25 H new ATOM 0 HD1 TYR A 114 3.012 0.906 -11.133 1.00 51.20 H new ATOM 0 HD2 TYR A 114 6.193 3.471 -9.927 1.00 61.40 H new ATOM 0 HE1 TYR A 114 2.538 2.388 -13.028 1.00 2.12 H new ATOM 0 HE2 TYR A 114 5.700 4.964 -11.805 1.00 73.32 H new ATOM 0 HH TYR A 114 4.424 5.369 -13.563 1.00 10.44 H new ATOM 999 N ASP A 115 2.801 3.469 -8.115 1.00 44.44 N ATOM 1000 CA ASP A 115 2.520 4.892 -7.973 1.00 4.25 C ATOM 1001 C ASP A 115 2.351 5.290 -6.545 1.00 1.13 C ATOM 1002 O ASP A 115 2.855 6.312 -6.131 1.00 51.22 O ATOM 1003 CB ASP A 115 1.232 5.212 -8.696 1.00 11.44 C ATOM 1004 CG ASP A 115 1.182 4.675 -10.091 1.00 44.15 C ATOM 1005 OD1 ASP A 115 0.801 3.507 -10.259 1.00 32.40 O ATOM 1006 OD2 ASP A 115 1.526 5.400 -11.023 1.00 14.24 O ATOM 0 H ASP A 115 2.086 2.984 -8.657 1.00 44.44 H new ATOM 0 HA ASP A 115 3.366 5.437 -8.391 1.00 4.25 H new ATOM 0 HB2 ASP A 115 0.395 4.805 -8.128 1.00 11.44 H new ATOM 0 HB3 ASP A 115 1.101 6.294 -8.727 1.00 11.44 H new ATOM 1011 N ALA A 116 1.683 4.457 -5.776 1.00 4.54 N ATOM 1012 CA ALA A 116 1.369 4.766 -4.391 1.00 21.23 C ATOM 1013 C ALA A 116 2.637 4.878 -3.547 1.00 71.13 C ATOM 1014 O ALA A 116 2.652 5.526 -2.509 1.00 24.02 O ATOM 1015 CB ALA A 116 0.424 3.719 -3.850 1.00 22.05 C ATOM 0 H ALA A 116 1.342 3.548 -6.089 1.00 4.54 H new ATOM 0 HA ALA A 116 0.878 5.738 -4.342 1.00 21.23 H new ATOM 0 HB1 ALA A 116 0.185 3.946 -2.811 1.00 22.05 H new ATOM 0 HB2 ALA A 116 -0.492 3.716 -4.440 1.00 22.05 H new ATOM 0 HB3 ALA A 116 0.896 2.738 -3.908 1.00 22.05 H new ATOM 1021 N LEU A 117 3.692 4.249 -4.023 1.00 22.13 N ATOM 1022 CA LEU A 117 5.006 4.305 -3.390 1.00 32.04 C ATOM 1023 C LEU A 117 5.743 5.556 -3.817 1.00 10.02 C ATOM 1024 O LEU A 117 6.550 6.100 -3.088 1.00 13.31 O ATOM 1025 CB LEU A 117 5.856 3.103 -3.757 1.00 53.13 C ATOM 1026 CG LEU A 117 5.306 1.724 -3.420 1.00 4.50 C ATOM 1027 CD1 LEU A 117 4.776 1.665 -2.006 1.00 22.20 C ATOM 1028 CD2 LEU A 117 4.268 1.308 -4.408 1.00 0.13 C ATOM 0 H LEU A 117 3.668 3.678 -4.868 1.00 22.13 H new ATOM 0 HA LEU A 117 4.841 4.310 -2.313 1.00 32.04 H new ATOM 0 HB2 LEU A 117 6.042 3.138 -4.830 1.00 53.13 H new ATOM 0 HB3 LEU A 117 6.821 3.210 -3.262 1.00 53.13 H new ATOM 0 HG LEU A 117 6.132 1.015 -3.483 1.00 4.50 H new ATOM 0 HD11 LEU A 117 4.392 0.665 -1.803 1.00 22.20 H new ATOM 0 HD12 LEU A 117 5.580 1.894 -1.306 1.00 22.20 H new ATOM 0 HD13 LEU A 117 3.973 2.393 -1.888 1.00 22.20 H new ATOM 0 HD21 LEU A 117 3.891 0.320 -4.145 1.00 0.13 H new ATOM 0 HD22 LEU A 117 3.447 2.025 -4.396 1.00 0.13 H new ATOM 0 HD23 LEU A 117 4.707 1.275 -5.405 1.00 0.13 H new ATOM 1040 N SER A 118 5.448 5.993 -4.999 1.00 53.01 N ATOM 1041 CA SER A 118 6.049 7.173 -5.568 1.00 41.20 C ATOM 1042 C SER A 118 5.484 8.430 -4.945 1.00 54.32 C ATOM 1043 O SER A 118 6.209 9.357 -4.608 1.00 45.40 O ATOM 1044 CB SER A 118 5.820 7.177 -7.058 1.00 0.24 C ATOM 1045 OG SER A 118 6.743 6.338 -7.738 1.00 21.33 O ATOM 0 H SER A 118 4.772 5.538 -5.612 1.00 53.01 H new ATOM 0 HA SER A 118 7.119 7.156 -5.362 1.00 41.20 H new ATOM 0 HB2 SER A 118 4.804 6.845 -7.270 1.00 0.24 H new ATOM 0 HB3 SER A 118 5.908 8.195 -7.436 1.00 0.24 H new ATOM 0 HG SER A 118 6.562 6.365 -8.701 1.00 21.33 H new ATOM 1051 N GLU A 119 4.197 8.477 -4.815 1.00 2.40 N ATOM 1052 CA GLU A 119 3.575 9.609 -4.173 1.00 24.03 C ATOM 1053 C GLU A 119 3.803 9.528 -2.661 1.00 21.42 C ATOM 1054 O GLU A 119 3.653 10.494 -1.945 1.00 55.12 O ATOM 1055 CB GLU A 119 2.104 9.714 -4.488 1.00 11.21 C ATOM 1056 CG GLU A 119 1.707 9.065 -5.805 1.00 2.54 C ATOM 1057 CD GLU A 119 0.352 9.496 -6.305 1.00 21.33 C ATOM 1058 OE1 GLU A 119 -0.673 9.092 -5.738 1.00 75.44 O ATOM 1059 OE2 GLU A 119 0.283 10.238 -7.298 1.00 23.33 O ATOM 0 H GLU A 119 3.553 7.755 -5.139 1.00 2.40 H new ATOM 0 HA GLU A 119 4.040 10.513 -4.566 1.00 24.03 H new ATOM 0 HB2 GLU A 119 1.536 9.252 -3.681 1.00 11.21 H new ATOM 0 HB3 GLU A 119 1.822 10.767 -4.514 1.00 11.21 H new ATOM 0 HG2 GLU A 119 2.457 9.305 -6.559 1.00 2.54 H new ATOM 0 HG3 GLU A 119 1.713 7.982 -5.683 1.00 2.54 H new ATOM 1066 N HIS A 120 4.117 8.344 -2.199 1.00 60.41 N ATOM 1067 CA HIS A 120 4.329 8.056 -0.790 1.00 24.33 C ATOM 1068 C HIS A 120 5.320 9.049 -0.138 1.00 4.25 C ATOM 1069 O HIS A 120 4.966 9.728 0.732 1.00 51.14 O ATOM 1070 CB HIS A 120 4.820 6.640 -0.642 1.00 35.44 C ATOM 1071 CG HIS A 120 4.563 6.022 0.657 1.00 32.22 C ATOM 1072 ND1 HIS A 120 3.318 5.640 1.091 1.00 24.02 N ATOM 1073 CD2 HIS A 120 5.404 5.716 1.618 1.00 1.00 C ATOM 1074 CE1 HIS A 120 3.438 5.123 2.301 1.00 11.44 C ATOM 1075 NE2 HIS A 120 4.711 5.140 2.688 1.00 61.15 N ATOM 0 H HIS A 120 4.237 7.529 -2.801 1.00 60.41 H new ATOM 0 HA HIS A 120 3.378 8.172 -0.269 1.00 24.33 H new ATOM 0 HB2 HIS A 120 4.354 6.029 -1.415 1.00 35.44 H new ATOM 0 HB3 HIS A 120 5.894 6.624 -0.827 1.00 35.44 H new ATOM 0 HD1 HIS A 120 2.448 5.739 0.568 1.00 24.02 H new ATOM 0 HD2 HIS A 120 6.470 5.884 1.587 1.00 1.00 H new ATOM 0 HE1 HIS A 120 2.619 4.741 2.892 1.00 11.44 H new ATOM 1083 N ASN A 121 6.523 9.138 -0.603 1.00 52.44 N ATOM 1084 CA ASN A 121 7.532 10.105 -0.070 1.00 53.10 C ATOM 1085 C ASN A 121 7.176 11.543 -0.416 1.00 54.22 C ATOM 1086 O ASN A 121 7.747 12.493 0.100 1.00 42.11 O ATOM 1087 CB ASN A 121 8.949 9.743 -0.489 1.00 42.40 C ATOM 1088 CG ASN A 121 9.172 9.641 -1.976 1.00 12.23 C ATOM 1089 OD1 ASN A 121 8.271 9.378 -2.755 1.00 3.44 O ATOM 1090 ND2 ASN A 121 10.377 9.756 -2.353 1.00 72.53 N ATOM 0 H ASN A 121 6.872 8.557 -1.365 1.00 52.44 H new ATOM 0 HA ASN A 121 7.503 10.028 1.017 1.00 53.10 H new ATOM 0 HB2 ASN A 121 9.632 10.490 -0.086 1.00 42.40 H new ATOM 0 HB3 ASN A 121 9.214 8.790 -0.032 1.00 42.40 H new ATOM 0 HD21 ASN A 121 10.618 9.628 -3.336 1.00 72.53 H new ATOM 0 HD22 ASN A 121 11.105 9.977 -1.674 1.00 72.53 H new ATOM 1097 N LEU A 122 6.296 11.691 -1.345 1.00 25.33 N ATOM 1098 CA LEU A 122 5.826 12.976 -1.733 1.00 3.42 C ATOM 1099 C LEU A 122 4.897 13.531 -0.635 1.00 64.12 C ATOM 1100 O LEU A 122 5.127 14.624 -0.098 1.00 41.43 O ATOM 1101 CB LEU A 122 5.138 12.834 -3.124 1.00 61.45 C ATOM 1102 CG LEU A 122 4.093 13.859 -3.562 1.00 41.52 C ATOM 1103 CD1 LEU A 122 4.630 15.285 -3.502 1.00 52.23 C ATOM 1104 CD2 LEU A 122 3.630 13.545 -4.975 1.00 54.23 C ATOM 0 H LEU A 122 5.879 10.917 -1.861 1.00 25.33 H new ATOM 0 HA LEU A 122 6.637 13.697 -1.838 1.00 3.42 H new ATOM 0 HB2 LEU A 122 5.926 12.830 -3.878 1.00 61.45 H new ATOM 0 HB3 LEU A 122 4.664 11.853 -3.154 1.00 61.45 H new ATOM 0 HG LEU A 122 3.254 13.793 -2.869 1.00 41.52 H new ATOM 0 HD11 LEU A 122 3.854 15.980 -3.822 1.00 52.23 H new ATOM 0 HD12 LEU A 122 4.928 15.519 -2.480 1.00 52.23 H new ATOM 0 HD13 LEU A 122 5.493 15.377 -4.161 1.00 52.23 H new ATOM 0 HD21 LEU A 122 2.885 14.278 -5.285 1.00 54.23 H new ATOM 0 HD22 LEU A 122 4.482 13.584 -5.654 1.00 54.23 H new ATOM 0 HD23 LEU A 122 3.191 12.548 -5.001 1.00 54.23 H new ATOM 1116 N LYS A 123 3.893 12.759 -0.290 1.00 54.11 N ATOM 1117 CA LYS A 123 2.886 13.177 0.678 1.00 3.03 C ATOM 1118 C LYS A 123 2.959 12.460 2.034 1.00 11.34 C ATOM 1119 O LYS A 123 2.833 13.079 3.088 1.00 2.32 O ATOM 1120 CB LYS A 123 1.488 13.144 0.047 1.00 40.10 C ATOM 1121 CG LYS A 123 1.357 12.214 -1.147 1.00 1.40 C ATOM 1122 CD LYS A 123 0.063 12.442 -1.911 1.00 72.03 C ATOM 1123 CE LYS A 123 -1.165 12.250 -1.035 1.00 70.11 C ATOM 1124 NZ LYS A 123 -2.421 12.459 -1.779 1.00 21.30 N ATOM 0 H LYS A 123 3.745 11.823 -0.668 1.00 54.11 H new ATOM 0 HA LYS A 123 3.117 14.211 0.934 1.00 3.03 H new ATOM 0 HB2 LYS A 123 0.767 12.842 0.807 1.00 40.10 H new ATOM 0 HB3 LYS A 123 1.220 14.154 -0.264 1.00 40.10 H new ATOM 0 HG2 LYS A 123 2.204 12.363 -1.817 1.00 1.40 H new ATOM 0 HG3 LYS A 123 1.399 11.179 -0.806 1.00 1.40 H new ATOM 0 HD2 LYS A 123 0.059 13.452 -2.322 1.00 72.03 H new ATOM 0 HD3 LYS A 123 0.016 11.754 -2.755 1.00 72.03 H new ATOM 0 HE2 LYS A 123 -1.156 11.244 -0.616 1.00 70.11 H new ATOM 0 HE3 LYS A 123 -1.122 12.945 -0.196 1.00 70.11 H new ATOM 0 HZ1 LYS A 123 -3.175 11.880 -1.357 1.00 21.30 H new ATOM 0 HZ2 LYS A 123 -2.689 13.463 -1.733 1.00 21.30 H new ATOM 0 HZ3 LYS A 123 -2.286 12.182 -2.772 1.00 21.30 H new ATOM 1138 N TYR A 124 3.175 11.178 1.980 1.00 0.53 N ATOM 1139 CA TYR A 124 3.165 10.284 3.164 1.00 33.21 C ATOM 1140 C TYR A 124 4.476 10.390 3.944 1.00 5.34 C ATOM 1141 O TYR A 124 4.469 10.544 5.171 1.00 44.23 O ATOM 1142 CB TYR A 124 2.960 8.824 2.738 1.00 41.11 C ATOM 1143 CG TYR A 124 1.648 8.495 2.050 1.00 45.10 C ATOM 1144 CD1 TYR A 124 1.201 9.226 0.967 1.00 71.22 C ATOM 1145 CD2 TYR A 124 0.881 7.431 2.470 1.00 63.24 C ATOM 1146 CE1 TYR A 124 0.037 8.924 0.331 1.00 64.30 C ATOM 1147 CE2 TYR A 124 -0.286 7.113 1.831 1.00 22.43 C ATOM 1148 CZ TYR A 124 -0.706 7.864 0.763 1.00 61.41 C ATOM 1149 OH TYR A 124 -1.877 7.548 0.126 1.00 12.32 O ATOM 0 H TYR A 124 3.370 10.688 1.107 1.00 0.53 H new ATOM 0 HA TYR A 124 2.340 10.600 3.803 1.00 33.21 H new ATOM 0 HB2 TYR A 124 3.775 8.547 2.069 1.00 41.11 H new ATOM 0 HB3 TYR A 124 3.047 8.195 3.624 1.00 41.11 H new ATOM 0 HD1 TYR A 124 1.791 10.059 0.616 1.00 71.22 H new ATOM 0 HD2 TYR A 124 1.205 6.840 3.314 1.00 63.24 H new ATOM 0 HE1 TYR A 124 -0.296 9.517 -0.508 1.00 64.30 H new ATOM 0 HE2 TYR A 124 -0.875 6.272 2.167 1.00 22.43 H new ATOM 0 HH TYR A 124 -2.121 8.271 -0.489 1.00 12.32 H new ATOM 1159 N HIS A 125 5.607 10.260 3.243 1.00 62.32 N ATOM 1160 CA HIS A 125 6.934 10.486 3.872 1.00 33.45 C ATOM 1161 C HIS A 125 7.599 11.707 3.231 1.00 22.00 C ATOM 1162 O HIS A 125 8.546 11.555 2.507 1.00 64.41 O ATOM 1163 CB HIS A 125 7.902 9.284 3.701 1.00 10.31 C ATOM 1164 CG HIS A 125 7.548 7.980 4.350 1.00 70.21 C ATOM 1165 ND1 HIS A 125 8.275 7.401 5.376 1.00 12.12 N ATOM 1166 CD2 HIS A 125 6.639 7.078 3.993 1.00 23.45 C ATOM 1167 CE1 HIS A 125 7.794 6.176 5.592 1.00 51.10 C ATOM 1168 NE2 HIS A 125 6.773 5.904 4.751 1.00 34.04 N ATOM 0 H HIS A 125 5.643 10.004 2.256 1.00 62.32 H new ATOM 0 HA HIS A 125 6.750 10.630 4.937 1.00 33.45 H new ATOM 0 HB2 HIS A 125 8.018 9.101 2.633 1.00 10.31 H new ATOM 0 HB3 HIS A 125 8.878 9.588 4.080 1.00 10.31 H new ATOM 0 HD2 HIS A 125 5.897 7.228 3.223 1.00 23.45 H new ATOM 0 HE1 HIS A 125 8.170 5.493 6.339 1.00 51.10 H new ATOM 0 HE2 HIS A 125 6.226 5.046 4.682 1.00 34.04 H new ATOM 1176 N PRO A 126 7.100 12.912 3.472 1.00 32.50 N ATOM 1177 CA PRO A 126 7.602 14.123 2.818 1.00 70.45 C ATOM 1178 C PRO A 126 8.949 14.604 3.345 1.00 1.03 C ATOM 1179 O PRO A 126 9.296 14.408 4.530 1.00 31.22 O ATOM 1180 CB PRO A 126 6.519 15.141 3.122 1.00 62.11 C ATOM 1181 CG PRO A 126 5.995 14.697 4.439 1.00 52.53 C ATOM 1182 CD PRO A 126 6.019 13.212 4.392 1.00 22.14 C ATOM 0 HA PRO A 126 7.787 13.952 1.757 1.00 70.45 H new ATOM 0 HB2 PRO A 126 6.920 16.153 3.169 1.00 62.11 H new ATOM 0 HB3 PRO A 126 5.741 15.141 2.359 1.00 62.11 H new ATOM 0 HG2 PRO A 126 6.612 15.074 5.255 1.00 52.53 H new ATOM 0 HG3 PRO A 126 4.984 15.069 4.605 1.00 52.53 H new ATOM 0 HD2 PRO A 126 6.202 12.784 5.377 1.00 22.14 H new ATOM 0 HD3 PRO A 126 5.070 12.808 4.040 1.00 22.14 H new ATOM 1190 N GLY A 127 9.688 15.248 2.465 1.00 64.31 N ATOM 1191 CA GLY A 127 10.980 15.786 2.798 1.00 1.34 C ATOM 1192 C GLY A 127 11.900 15.765 1.611 1.00 42.10 C ATOM 1193 O GLY A 127 12.538 16.764 1.292 1.00 51.03 O ATOM 0 H GLY A 127 9.404 15.410 1.499 1.00 64.31 H new ATOM 0 HA2 GLY A 127 10.869 16.809 3.157 1.00 1.34 H new ATOM 0 HA3 GLY A 127 11.419 15.208 3.612 1.00 1.34 H new ATOM 1197 N GLU A 128 11.930 14.644 0.936 1.00 21.51 N ATOM 1198 CA GLU A 128 12.775 14.435 -0.215 1.00 64.43 C ATOM 1199 C GLU A 128 12.143 13.374 -1.079 1.00 11.02 C ATOM 1200 O GLU A 128 11.093 12.824 -0.707 1.00 31.14 O ATOM 1201 CB GLU A 128 14.208 14.046 0.243 1.00 44.31 C ATOM 1202 CG GLU A 128 14.292 12.802 1.126 1.00 3.33 C ATOM 1203 CD GLU A 128 14.717 11.569 0.384 1.00 24.23 C ATOM 1204 OE1 GLU A 128 13.872 10.900 -0.205 1.00 3.24 O ATOM 1205 OE2 GLU A 128 15.926 11.278 0.354 1.00 63.53 O ATOM 0 H GLU A 128 11.357 13.835 1.175 1.00 21.51 H new ATOM 0 HA GLU A 128 12.868 15.349 -0.801 1.00 64.43 H new ATOM 0 HB2 GLU A 128 14.824 13.887 -0.642 1.00 44.31 H new ATOM 0 HB3 GLU A 128 14.640 14.887 0.785 1.00 44.31 H new ATOM 0 HG2 GLU A 128 14.996 12.989 1.937 1.00 3.33 H new ATOM 0 HG3 GLU A 128 13.319 12.624 1.583 1.00 3.33 H new ATOM 1212 N GLU A 129 12.707 13.112 -2.220 1.00 10.21 N ATOM 1213 CA GLU A 129 12.176 12.083 -3.061 1.00 1.44 C ATOM 1214 C GLU A 129 13.286 11.200 -3.567 1.00 64.21 C ATOM 1215 O GLU A 129 13.916 11.490 -4.600 1.00 45.53 O ATOM 1216 CB GLU A 129 11.419 12.697 -4.217 1.00 74.01 C ATOM 1217 CG GLU A 129 10.792 11.686 -5.165 1.00 71.35 C ATOM 1218 CD GLU A 129 9.917 12.316 -6.215 1.00 74.44 C ATOM 1219 OE1 GLU A 129 10.339 13.294 -6.862 1.00 54.24 O ATOM 1220 OE2 GLU A 129 8.796 11.820 -6.436 1.00 42.20 O ATOM 0 H GLU A 129 13.528 13.592 -2.587 1.00 10.21 H new ATOM 0 HA GLU A 129 11.487 11.472 -2.479 1.00 1.44 H new ATOM 0 HB2 GLU A 129 10.634 13.341 -3.820 1.00 74.01 H new ATOM 0 HB3 GLU A 129 12.098 13.335 -4.783 1.00 74.01 H new ATOM 0 HG2 GLU A 129 11.583 11.118 -5.655 1.00 71.35 H new ATOM 0 HG3 GLU A 129 10.200 10.976 -4.588 1.00 71.35 H new ATOM 1227 N ASN A 130 13.546 10.142 -2.818 1.00 51.14 N ATOM 1228 CA ASN A 130 14.573 9.170 -3.132 1.00 3.03 C ATOM 1229 C ASN A 130 14.195 7.833 -2.540 1.00 14.00 C ATOM 1230 O ASN A 130 14.437 7.563 -1.365 1.00 72.25 O ATOM 1231 CB ASN A 130 15.918 9.608 -2.524 1.00 12.15 C ATOM 1232 CG ASN A 130 16.404 10.931 -3.061 1.00 21.13 C ATOM 1233 OD1 ASN A 130 17.138 10.991 -4.059 1.00 4.40 O ATOM 1234 ND2 ASN A 130 15.993 11.992 -2.419 1.00 31.22 N ATOM 0 H ASN A 130 13.038 9.933 -1.959 1.00 51.14 H new ATOM 0 HA ASN A 130 14.666 9.094 -4.215 1.00 3.03 H new ATOM 0 HB2 ASN A 130 15.816 9.677 -1.441 1.00 12.15 H new ATOM 0 HB3 ASN A 130 16.668 8.843 -2.725 1.00 12.15 H new ATOM 0 HD21 ASN A 130 16.275 12.920 -2.734 1.00 31.22 H new ATOM 0 HD22 ASN A 130 15.390 11.892 -1.603 1.00 31.22 H new ATOM 1241 N PHE A 131 13.568 7.035 -3.323 1.00 53.21 N ATOM 1242 CA PHE A 131 13.194 5.707 -2.926 1.00 50.21 C ATOM 1243 C PHE A 131 14.091 4.698 -3.616 1.00 0.41 C ATOM 1244 O PHE A 131 14.530 4.917 -4.748 1.00 35.50 O ATOM 1245 CB PHE A 131 11.745 5.423 -3.291 1.00 51.45 C ATOM 1246 CG PHE A 131 10.763 5.420 -2.150 1.00 40.51 C ATOM 1247 CD1 PHE A 131 10.741 4.379 -1.254 1.00 24.21 C ATOM 1248 CD2 PHE A 131 9.828 6.413 -2.016 1.00 11.13 C ATOM 1249 CE1 PHE A 131 9.807 4.328 -0.244 1.00 14.11 C ATOM 1250 CE2 PHE A 131 8.879 6.365 -1.008 1.00 64.32 C ATOM 1251 CZ PHE A 131 8.871 5.318 -0.127 1.00 44.31 C ATOM 0 H PHE A 131 13.291 7.279 -4.274 1.00 53.21 H new ATOM 0 HA PHE A 131 13.306 5.626 -1.845 1.00 50.21 H new ATOM 0 HB2 PHE A 131 11.422 6.167 -4.019 1.00 51.45 H new ATOM 0 HB3 PHE A 131 11.700 4.453 -3.785 1.00 51.45 H new ATOM 0 HD1 PHE A 131 11.469 3.587 -1.344 1.00 24.21 H new ATOM 0 HD2 PHE A 131 9.831 7.244 -2.706 1.00 11.13 H new ATOM 0 HE1 PHE A 131 9.813 3.506 0.456 1.00 14.11 H new ATOM 0 HE2 PHE A 131 8.146 7.153 -0.918 1.00 64.32 H new ATOM 0 HZ PHE A 131 8.129 5.274 0.657 1.00 44.31 H new ATOM 1261 N LYS A 132 14.367 3.622 -2.950 1.00 50.31 N ATOM 1262 CA LYS A 132 15.180 2.564 -3.480 1.00 11.10 C ATOM 1263 C LYS A 132 14.280 1.337 -3.634 1.00 54.12 C ATOM 1264 O LYS A 132 13.229 1.284 -3.025 1.00 22.23 O ATOM 1265 CB LYS A 132 16.316 2.232 -2.496 1.00 43.21 C ATOM 1266 CG LYS A 132 15.986 1.092 -1.542 1.00 72.50 C ATOM 1267 CD LYS A 132 17.151 0.686 -0.708 1.00 11.01 C ATOM 1268 CE LYS A 132 16.896 -0.681 -0.108 1.00 40.30 C ATOM 1269 NZ LYS A 132 18.034 -1.178 0.696 1.00 73.22 N ATOM 0 H LYS A 132 14.029 3.447 -2.004 1.00 50.31 H new ATOM 0 HA LYS A 132 15.618 2.859 -4.434 1.00 11.10 H new ATOM 0 HB2 LYS A 132 17.211 1.973 -3.062 1.00 43.21 H new ATOM 0 HB3 LYS A 132 16.553 3.123 -1.915 1.00 43.21 H new ATOM 0 HG2 LYS A 132 15.166 1.394 -0.891 1.00 72.50 H new ATOM 0 HG3 LYS A 132 15.638 0.233 -2.115 1.00 72.50 H new ATOM 0 HD2 LYS A 132 18.056 0.664 -1.315 1.00 11.01 H new ATOM 0 HD3 LYS A 132 17.316 1.417 0.084 1.00 11.01 H new ATOM 0 HE2 LYS A 132 16.006 -0.636 0.520 1.00 40.30 H new ATOM 0 HE3 LYS A 132 16.686 -1.390 -0.909 1.00 40.30 H new ATOM 0 HZ1 LYS A 132 17.803 -2.116 1.081 1.00 73.22 H new ATOM 0 HZ2 LYS A 132 18.879 -1.249 0.094 1.00 73.22 H new ATOM 0 HZ3 LYS A 132 18.220 -0.519 1.478 1.00 73.22 H new ATOM 1283 N LEU A 133 14.705 0.355 -4.365 1.00 4.24 N ATOM 1284 CA LEU A 133 13.915 -0.835 -4.539 1.00 14.12 C ATOM 1285 C LEU A 133 14.736 -2.042 -4.148 1.00 41.34 C ATOM 1286 O LEU A 133 15.934 -2.096 -4.425 1.00 10.51 O ATOM 1287 CB LEU A 133 13.352 -0.980 -5.979 1.00 41.31 C ATOM 1288 CG LEU A 133 14.361 -1.003 -7.147 1.00 72.54 C ATOM 1289 CD1 LEU A 133 13.700 -1.590 -8.381 1.00 63.21 C ATOM 1290 CD2 LEU A 133 14.856 0.404 -7.481 1.00 0.14 C ATOM 0 H LEU A 133 15.599 0.349 -4.856 1.00 4.24 H new ATOM 0 HA LEU A 133 13.045 -0.757 -3.886 1.00 14.12 H new ATOM 0 HB2 LEU A 133 12.771 -1.901 -6.020 1.00 41.31 H new ATOM 0 HB3 LEU A 133 12.658 -0.157 -6.152 1.00 41.31 H new ATOM 0 HG LEU A 133 15.211 -1.613 -6.842 1.00 72.54 H new ATOM 0 HD11 LEU A 133 14.414 -1.605 -9.204 1.00 63.21 H new ATOM 0 HD12 LEU A 133 13.370 -2.607 -8.168 1.00 63.21 H new ATOM 0 HD13 LEU A 133 12.840 -0.980 -8.658 1.00 63.21 H new ATOM 0 HD21 LEU A 133 15.565 0.354 -8.307 1.00 0.14 H new ATOM 0 HD22 LEU A 133 14.010 1.029 -7.766 1.00 0.14 H new ATOM 0 HD23 LEU A 133 15.347 0.834 -6.608 1.00 0.14 H new ATOM 1302 N THR A 134 14.126 -2.956 -3.448 1.00 65.11 N ATOM 1303 CA THR A 134 14.763 -4.163 -3.008 1.00 43.13 C ATOM 1304 C THR A 134 13.705 -5.260 -2.981 1.00 23.11 C ATOM 1305 O THR A 134 12.634 -5.045 -2.463 1.00 14.32 O ATOM 1306 CB THR A 134 15.376 -3.942 -1.572 1.00 33.40 C ATOM 1307 OG1 THR A 134 15.983 -5.136 -1.060 1.00 4.51 O ATOM 1308 CG2 THR A 134 14.336 -3.417 -0.576 1.00 33.42 C ATOM 0 H THR A 134 13.150 -2.880 -3.161 1.00 65.11 H new ATOM 0 HA THR A 134 15.573 -4.446 -3.680 1.00 43.13 H new ATOM 0 HB THR A 134 16.151 -3.184 -1.688 1.00 33.40 H new ATOM 0 HG1 THR A 134 16.353 -4.959 -0.170 1.00 4.51 H new ATOM 0 HG21 THR A 134 14.803 -3.280 0.399 1.00 33.42 H new ATOM 0 HG22 THR A 134 13.944 -2.463 -0.928 1.00 33.42 H new ATOM 0 HG23 THR A 134 13.520 -4.135 -0.490 1.00 33.42 H new ATOM 1316 N MET A 135 13.940 -6.412 -3.549 1.00 22.52 N ATOM 1317 CA MET A 135 12.893 -7.390 -3.457 1.00 63.41 C ATOM 1318 C MET A 135 13.235 -8.338 -2.373 1.00 54.12 C ATOM 1319 O MET A 135 14.119 -9.177 -2.534 1.00 74.24 O ATOM 1320 CB MET A 135 12.745 -8.200 -4.755 1.00 55.22 C ATOM 1321 CG MET A 135 11.647 -9.269 -4.670 1.00 53.44 C ATOM 1322 SD MET A 135 11.678 -10.485 -6.014 1.00 64.03 S ATOM 1323 CE MET A 135 11.321 -9.474 -7.440 1.00 73.14 C ATOM 0 H MET A 135 14.787 -6.685 -4.048 1.00 22.52 H new ATOM 0 HA MET A 135 11.958 -6.864 -3.266 1.00 63.41 H new ATOM 0 HB2 MET A 135 12.521 -7.521 -5.578 1.00 55.22 H new ATOM 0 HB3 MET A 135 13.695 -8.680 -4.988 1.00 55.22 H new ATOM 0 HG2 MET A 135 11.741 -9.794 -3.719 1.00 53.44 H new ATOM 0 HG3 MET A 135 10.676 -8.775 -4.666 1.00 53.44 H new ATOM 0 HE1 MET A 135 11.082 -10.114 -8.289 1.00 73.14 H new ATOM 0 HE2 MET A 135 10.471 -8.827 -7.223 1.00 73.14 H new ATOM 0 HE3 MET A 135 12.191 -8.863 -7.680 1.00 73.14 H new ATOM 1333 N VAL A 136 12.546 -8.221 -1.288 1.00 24.35 N ATOM 1334 CA VAL A 136 12.629 -9.160 -0.216 1.00 3.45 C ATOM 1335 C VAL A 136 11.283 -9.236 0.453 1.00 65.13 C ATOM 1336 O VAL A 136 10.903 -8.332 1.137 1.00 11.51 O ATOM 1337 CB VAL A 136 13.748 -8.762 0.822 1.00 43.41 C ATOM 1338 CG1 VAL A 136 15.104 -9.284 0.374 1.00 12.13 C ATOM 1339 CG2 VAL A 136 13.835 -7.232 0.965 1.00 61.43 C ATOM 0 H VAL A 136 11.895 -7.455 -1.116 1.00 24.35 H new ATOM 0 HA VAL A 136 12.905 -10.136 -0.615 1.00 3.45 H new ATOM 0 HB VAL A 136 13.482 -9.206 1.781 1.00 43.41 H new ATOM 0 HG11 VAL A 136 15.863 -8.999 1.103 1.00 12.13 H new ATOM 0 HG12 VAL A 136 15.067 -10.370 0.294 1.00 12.13 H new ATOM 0 HG13 VAL A 136 15.356 -8.857 -0.597 1.00 12.13 H new ATOM 0 HG21 VAL A 136 14.612 -6.978 1.685 1.00 61.43 H new ATOM 0 HG22 VAL A 136 14.077 -6.789 -0.001 1.00 61.43 H new ATOM 0 HG23 VAL A 136 12.877 -6.844 1.312 1.00 61.43 H new ATOM 1349 N LYS A 137 10.564 -10.271 0.257 1.00 35.14 N ATOM 1350 CA LYS A 137 9.322 -10.407 0.959 1.00 42.23 C ATOM 1351 C LYS A 137 9.188 -11.840 1.353 1.00 2.23 C ATOM 1352 O LYS A 137 9.047 -12.710 0.487 1.00 30.13 O ATOM 1353 CB LYS A 137 8.146 -9.905 0.123 1.00 33.24 C ATOM 1354 CG LYS A 137 6.921 -9.471 0.904 1.00 13.12 C ATOM 1355 CD LYS A 137 7.273 -8.249 1.758 1.00 74.31 C ATOM 1356 CE LYS A 137 6.077 -7.407 2.203 1.00 32.15 C ATOM 1357 NZ LYS A 137 6.492 -6.492 3.262 1.00 4.13 N ATOM 0 H LYS A 137 10.798 -11.037 -0.374 1.00 35.14 H new ATOM 0 HA LYS A 137 9.314 -9.785 1.854 1.00 42.23 H new ATOM 0 HB2 LYS A 137 8.486 -9.063 -0.480 1.00 33.24 H new ATOM 0 HB3 LYS A 137 7.852 -10.695 -0.568 1.00 33.24 H new ATOM 0 HG2 LYS A 137 6.107 -9.229 0.221 1.00 13.12 H new ATOM 0 HG3 LYS A 137 6.573 -10.285 1.540 1.00 13.12 H new ATOM 0 HD2 LYS A 137 7.811 -8.586 2.644 1.00 74.31 H new ATOM 0 HD3 LYS A 137 7.956 -7.614 1.193 1.00 74.31 H new ATOM 0 HE2 LYS A 137 5.680 -6.845 1.358 1.00 32.15 H new ATOM 0 HE3 LYS A 137 5.276 -8.054 2.560 1.00 32.15 H new ATOM 0 HZ1 LYS A 137 5.687 -5.896 3.541 1.00 4.13 H new ATOM 0 HZ2 LYS A 137 6.820 -7.038 4.084 1.00 4.13 H new ATOM 0 HZ3 LYS A 137 7.266 -5.889 2.916 1.00 4.13 H new ATOM 1371 N ARG A 138 9.266 -12.117 2.598 1.00 4.04 N ATOM 1372 CA ARG A 138 9.232 -13.475 3.034 1.00 52.52 C ATOM 1373 C ARG A 138 7.908 -13.786 3.651 1.00 10.24 C ATOM 1374 O ARG A 138 7.161 -12.860 4.006 1.00 63.51 O ATOM 1375 CB ARG A 138 10.426 -13.837 3.925 1.00 62.14 C ATOM 1376 CG ARG A 138 11.769 -13.730 3.195 1.00 14.40 C ATOM 1377 CD ARG A 138 12.345 -12.313 3.212 1.00 43.44 C ATOM 1378 NE ARG A 138 12.881 -11.955 4.533 1.00 34.32 N ATOM 1379 CZ ARG A 138 13.397 -10.763 4.873 1.00 2.34 C ATOM 1380 NH1 ARG A 138 13.186 -9.695 4.115 1.00 4.54 N ATOM 1381 NH2 ARG A 138 14.059 -10.632 6.014 1.00 53.31 N ATOM 0 H ARG A 138 9.354 -11.425 3.342 1.00 4.04 H new ATOM 0 HA ARG A 138 9.338 -14.119 2.161 1.00 52.52 H new ATOM 0 HB2 ARG A 138 10.437 -13.179 4.794 1.00 62.14 H new ATOM 0 HB3 ARG A 138 10.300 -14.854 4.297 1.00 62.14 H new ATOM 0 HG2 ARG A 138 12.483 -14.412 3.656 1.00 14.40 H new ATOM 0 HG3 ARG A 138 11.642 -14.053 2.162 1.00 14.40 H new ATOM 0 HD2 ARG A 138 13.136 -12.234 2.466 1.00 43.44 H new ATOM 0 HD3 ARG A 138 11.568 -11.602 2.931 1.00 43.44 H new ATOM 0 HE ARG A 138 12.859 -12.675 5.255 1.00 34.32 H new ATOM 0 HH11 ARG A 138 12.627 -9.775 3.265 1.00 4.54 H new ATOM 0 HH12 ARG A 138 13.582 -8.794 4.382 1.00 4.54 H new ATOM 0 HH21 ARG A 138 14.175 -11.436 6.631 1.00 53.31 H new ATOM 0 HH22 ARG A 138 14.452 -9.728 6.275 1.00 53.31 H new ATOM 1395 N ASN A 139 7.569 -15.078 3.688 1.00 52.10 N ATOM 1396 CA ASN A 139 6.261 -15.596 4.166 1.00 62.04 C ATOM 1397 C ASN A 139 5.173 -15.324 3.108 1.00 72.33 C ATOM 1398 O ASN A 139 4.379 -16.209 2.762 1.00 24.23 O ATOM 1399 CB ASN A 139 5.905 -15.052 5.596 1.00 54.05 C ATOM 1400 CG ASN A 139 4.604 -15.590 6.210 1.00 40.50 C ATOM 1401 OD1 ASN A 139 3.608 -15.829 5.536 1.00 11.44 O ATOM 1402 ND2 ASN A 139 4.627 -15.818 7.502 1.00 72.31 N ATOM 0 H ASN A 139 8.202 -15.817 3.382 1.00 52.10 H new ATOM 0 HA ASN A 139 6.326 -16.677 4.287 1.00 62.04 H new ATOM 0 HB2 ASN A 139 6.728 -15.289 6.270 1.00 54.05 H new ATOM 0 HB3 ASN A 139 5.838 -13.965 5.545 1.00 54.05 H new ATOM 0 HD21 ASN A 139 3.804 -16.202 7.967 1.00 72.31 H new ATOM 0 HD22 ASN A 139 5.468 -15.611 8.042 1.00 72.31 H new ATOM 1409 N ASN A 140 5.201 -14.131 2.571 1.00 22.12 N ATOM 1410 CA ASN A 140 4.334 -13.685 1.496 1.00 25.13 C ATOM 1411 C ASN A 140 4.997 -14.079 0.163 1.00 50.45 C ATOM 1412 O ASN A 140 5.735 -15.071 0.093 1.00 71.12 O ATOM 1413 CB ASN A 140 4.205 -12.145 1.543 1.00 62.42 C ATOM 1414 CG ASN A 140 3.692 -11.580 2.854 1.00 44.13 C ATOM 1415 OD1 ASN A 140 2.495 -11.456 3.063 1.00 44.23 O ATOM 1416 ND2 ASN A 140 4.599 -11.185 3.722 1.00 12.03 N ATOM 0 H ASN A 140 5.853 -13.410 2.879 1.00 22.12 H new ATOM 0 HA ASN A 140 3.347 -14.137 1.595 1.00 25.13 H new ATOM 0 HB2 ASN A 140 5.182 -11.708 1.335 1.00 62.42 H new ATOM 0 HB3 ASN A 140 3.537 -11.828 0.743 1.00 62.42 H new ATOM 0 HD21 ASN A 140 4.311 -10.759 4.603 1.00 12.03 H new ATOM 0 HD22 ASN A 140 5.590 -11.304 3.514 1.00 12.03 H new ATOM 1423 N GLN A 141 4.751 -13.312 -0.879 1.00 72.41 N ATOM 1424 CA GLN A 141 5.353 -13.543 -2.180 1.00 11.31 C ATOM 1425 C GLN A 141 6.578 -12.700 -2.275 1.00 54.00 C ATOM 1426 O GLN A 141 6.799 -11.892 -1.412 1.00 30.12 O ATOM 1427 CB GLN A 141 4.430 -13.118 -3.327 1.00 53.15 C ATOM 1428 CG GLN A 141 4.062 -11.637 -3.407 1.00 73.04 C ATOM 1429 CD GLN A 141 3.032 -11.197 -2.409 1.00 53.24 C ATOM 1430 OE1 GLN A 141 1.852 -11.248 -2.681 1.00 22.22 O ATOM 1431 NE2 GLN A 141 3.474 -10.716 -1.277 1.00 60.02 N ATOM 0 H GLN A 141 4.125 -12.507 -0.849 1.00 72.41 H new ATOM 0 HA GLN A 141 5.560 -14.609 -2.269 1.00 11.31 H new ATOM 0 HB2 GLN A 141 4.905 -13.401 -4.267 1.00 53.15 H new ATOM 0 HB3 GLN A 141 3.507 -13.693 -3.250 1.00 53.15 H new ATOM 0 HG2 GLN A 141 4.965 -11.043 -3.264 1.00 73.04 H new ATOM 0 HG3 GLN A 141 3.694 -11.421 -4.410 1.00 73.04 H new ATOM 0 HE21 GLN A 141 4.476 -10.692 -1.090 1.00 60.02 H new ATOM 0 HE22 GLN A 141 2.817 -10.364 -0.581 1.00 60.02 H new ATOM 1440 N THR A 142 7.323 -12.827 -3.330 1.00 74.21 N ATOM 1441 CA THR A 142 8.455 -11.994 -3.515 1.00 2.12 C ATOM 1442 C THR A 142 8.055 -10.780 -4.345 1.00 4.14 C ATOM 1443 O THR A 142 7.734 -10.862 -5.517 1.00 63.43 O ATOM 1444 CB THR A 142 9.623 -12.774 -4.142 1.00 71.14 C ATOM 1445 OG1 THR A 142 9.116 -13.664 -5.162 1.00 52.34 O ATOM 1446 CG2 THR A 142 10.364 -13.574 -3.071 1.00 4.41 C ATOM 0 H THR A 142 7.161 -13.505 -4.075 1.00 74.21 H new ATOM 0 HA THR A 142 8.811 -11.643 -2.546 1.00 2.12 H new ATOM 0 HB THR A 142 10.321 -12.068 -4.592 1.00 71.14 H new ATOM 0 HG1 THR A 142 9.860 -14.160 -5.563 1.00 52.34 H new ATOM 0 HG21 THR A 142 11.188 -14.121 -3.530 1.00 4.41 H new ATOM 0 HG22 THR A 142 10.756 -12.894 -2.315 1.00 4.41 H new ATOM 0 HG23 THR A 142 9.677 -14.279 -2.603 1.00 4.41 H new ATOM 1454 N ILE A 143 8.040 -9.679 -3.678 1.00 42.54 N ATOM 1455 CA ILE A 143 7.607 -8.400 -4.166 1.00 54.55 C ATOM 1456 C ILE A 143 8.627 -7.354 -3.833 1.00 51.54 C ATOM 1457 O ILE A 143 9.438 -7.563 -2.920 1.00 42.33 O ATOM 1458 CB ILE A 143 6.156 -8.012 -3.750 1.00 32.35 C ATOM 1459 CG1 ILE A 143 5.899 -8.234 -2.291 1.00 64.14 C ATOM 1460 CG2 ILE A 143 5.120 -8.698 -4.590 1.00 71.41 C ATOM 1461 CD1 ILE A 143 6.488 -7.159 -1.449 1.00 5.30 C ATOM 0 H ILE A 143 8.351 -9.637 -2.707 1.00 42.54 H new ATOM 0 HA ILE A 143 7.540 -8.474 -5.251 1.00 54.55 H new ATOM 0 HB ILE A 143 6.070 -6.941 -3.934 1.00 32.35 H new ATOM 0 HG12 ILE A 143 4.824 -8.283 -2.116 1.00 64.14 H new ATOM 0 HG13 ILE A 143 6.315 -9.196 -1.992 1.00 64.14 H new ATOM 0 HG21 ILE A 143 4.126 -8.395 -4.261 1.00 71.41 H new ATOM 0 HG22 ILE A 143 5.257 -8.420 -5.635 1.00 71.41 H new ATOM 0 HG23 ILE A 143 5.223 -9.778 -4.485 1.00 71.41 H new ATOM 0 HD11 ILE A 143 6.276 -7.362 -0.399 1.00 5.30 H new ATOM 0 HD12 ILE A 143 7.567 -7.127 -1.602 1.00 5.30 H new ATOM 0 HD13 ILE A 143 6.053 -6.199 -1.728 1.00 5.30 H new ATOM 1473 N PHE A 144 8.658 -6.292 -4.570 1.00 21.22 N ATOM 1474 CA PHE A 144 9.707 -5.333 -4.438 1.00 32.35 C ATOM 1475 C PHE A 144 9.309 -4.352 -3.374 1.00 10.43 C ATOM 1476 O PHE A 144 8.255 -3.716 -3.441 1.00 54.15 O ATOM 1477 CB PHE A 144 9.848 -4.527 -5.736 1.00 63.42 C ATOM 1478 CG PHE A 144 10.238 -5.280 -6.969 1.00 34.52 C ATOM 1479 CD1 PHE A 144 11.567 -5.418 -7.313 1.00 53.04 C ATOM 1480 CD2 PHE A 144 9.270 -5.809 -7.814 1.00 23.31 C ATOM 1481 CE1 PHE A 144 11.932 -6.072 -8.474 1.00 11.33 C ATOM 1482 CE2 PHE A 144 9.627 -6.470 -8.970 1.00 75.05 C ATOM 1483 CZ PHE A 144 10.961 -6.598 -9.304 1.00 75.21 C ATOM 0 H PHE A 144 7.960 -6.065 -5.278 1.00 21.22 H new ATOM 0 HA PHE A 144 10.636 -5.852 -4.203 1.00 32.35 H new ATOM 0 HB2 PHE A 144 8.898 -4.030 -5.930 1.00 63.42 H new ATOM 0 HB3 PHE A 144 10.589 -3.745 -5.569 1.00 63.42 H new ATOM 0 HD1 PHE A 144 12.331 -5.010 -6.667 1.00 53.04 H new ATOM 0 HD2 PHE A 144 8.225 -5.701 -7.562 1.00 23.31 H new ATOM 0 HE1 PHE A 144 12.976 -6.172 -8.733 1.00 11.33 H new ATOM 0 HE2 PHE A 144 8.866 -6.887 -9.613 1.00 75.05 H new ATOM 0 HZ PHE A 144 11.245 -7.108 -10.213 1.00 75.21 H new ATOM 1493 N GLU A 145 10.142 -4.259 -2.395 1.00 4.41 N ATOM 1494 CA GLU A 145 9.955 -3.389 -1.320 1.00 43.24 C ATOM 1495 C GLU A 145 10.697 -2.126 -1.662 1.00 53.22 C ATOM 1496 O GLU A 145 11.794 -2.168 -2.224 1.00 72.41 O ATOM 1497 CB GLU A 145 10.491 -3.990 0.001 1.00 51.23 C ATOM 1498 CG GLU A 145 9.934 -5.349 0.382 1.00 55.33 C ATOM 1499 CD GLU A 145 9.730 -5.500 1.903 1.00 70.13 C ATOM 1500 OE1 GLU A 145 10.657 -5.905 2.628 1.00 13.31 O ATOM 1501 OE2 GLU A 145 8.605 -5.191 2.402 1.00 74.31 O ATOM 0 H GLU A 145 10.997 -4.812 -2.333 1.00 4.41 H new ATOM 0 HA GLU A 145 8.893 -3.201 -1.163 1.00 43.24 H new ATOM 0 HB2 GLU A 145 11.576 -4.070 -0.072 1.00 51.23 H new ATOM 0 HB3 GLU A 145 10.277 -3.291 0.809 1.00 51.23 H new ATOM 0 HG2 GLU A 145 8.982 -5.503 -0.126 1.00 55.33 H new ATOM 0 HG3 GLU A 145 10.612 -6.127 0.031 1.00 55.33 H new ATOM 1508 N GLN A 146 10.113 -1.032 -1.377 1.00 10.14 N ATOM 1509 CA GLN A 146 10.682 0.215 -1.734 1.00 14.11 C ATOM 1510 C GLN A 146 10.994 0.984 -0.458 1.00 13.53 C ATOM 1511 O GLN A 146 10.072 1.308 0.319 1.00 61.43 O ATOM 1512 CB GLN A 146 9.695 0.967 -2.641 1.00 25.54 C ATOM 1513 CG GLN A 146 10.374 1.993 -3.499 1.00 1.25 C ATOM 1514 CD GLN A 146 9.485 2.672 -4.497 1.00 11.10 C ATOM 1515 OE1 GLN A 146 9.334 2.207 -5.618 1.00 40.23 O ATOM 1516 NE2 GLN A 146 8.900 3.778 -4.121 1.00 44.42 N ATOM 0 H GLN A 146 9.221 -0.968 -0.887 1.00 10.14 H new ATOM 0 HA GLN A 146 11.612 0.089 -2.288 1.00 14.11 H new ATOM 0 HB2 GLN A 146 9.174 0.252 -3.278 1.00 25.54 H new ATOM 0 HB3 GLN A 146 8.939 1.455 -2.025 1.00 25.54 H new ATOM 0 HG2 GLN A 146 10.815 2.752 -2.852 1.00 1.25 H new ATOM 0 HG3 GLN A 146 11.194 1.513 -4.033 1.00 1.25 H new ATOM 0 HE21 GLN A 146 9.048 4.138 -3.178 1.00 44.42 H new ATOM 0 HE22 GLN A 146 8.295 4.281 -4.770 1.00 44.42 H new ATOM 1525 N THR A 147 12.276 1.194 -0.191 1.00 32.42 N ATOM 1526 CA THR A 147 12.714 1.868 1.026 1.00 40.13 C ATOM 1527 C THR A 147 13.313 3.198 0.691 1.00 0.42 C ATOM 1528 O THR A 147 13.746 3.420 -0.420 1.00 34.42 O ATOM 1529 CB THR A 147 13.780 1.049 1.774 1.00 4.40 C ATOM 1530 OG1 THR A 147 13.968 -0.234 1.132 1.00 12.11 O ATOM 1531 CG2 THR A 147 13.355 0.845 3.220 1.00 52.10 C ATOM 0 H THR A 147 13.037 0.905 -0.806 1.00 32.42 H new ATOM 0 HA THR A 147 11.835 1.985 1.660 1.00 40.13 H new ATOM 0 HB THR A 147 14.723 1.596 1.751 1.00 4.40 H new ATOM 0 HG1 THR A 147 14.142 -0.918 1.812 1.00 12.11 H new ATOM 0 HG21 THR A 147 14.114 0.264 3.744 1.00 52.10 H new ATOM 0 HG22 THR A 147 13.240 1.814 3.706 1.00 52.10 H new ATOM 0 HG23 THR A 147 12.406 0.310 3.248 1.00 52.10 H new ATOM 1539 N ILE A 148 13.339 4.062 1.629 1.00 43.25 N ATOM 1540 CA ILE A 148 13.889 5.364 1.451 1.00 3.52 C ATOM 1541 C ILE A 148 15.272 5.367 2.056 1.00 24.01 C ATOM 1542 O ILE A 148 15.618 4.490 2.843 1.00 11.51 O ATOM 1543 CB ILE A 148 13.007 6.427 2.129 1.00 75.43 C ATOM 1544 CG1 ILE A 148 11.556 6.097 1.803 1.00 64.32 C ATOM 1545 CG2 ILE A 148 13.356 7.797 1.549 1.00 61.30 C ATOM 1546 CD1 ILE A 148 10.509 6.710 2.690 1.00 44.05 C ATOM 0 H ILE A 148 12.973 3.889 2.565 1.00 43.25 H new ATOM 0 HA ILE A 148 13.936 5.607 0.389 1.00 3.52 H new ATOM 0 HB ILE A 148 13.164 6.438 3.208 1.00 75.43 H new ATOM 0 HG12 ILE A 148 11.358 6.409 0.777 1.00 64.32 H new ATOM 0 HG13 ILE A 148 11.438 5.014 1.835 1.00 64.32 H new ATOM 0 HG21 ILE A 148 12.738 8.560 2.021 1.00 61.30 H new ATOM 0 HG22 ILE A 148 14.407 8.014 1.737 1.00 61.30 H new ATOM 0 HG23 ILE A 148 13.172 7.795 0.475 1.00 61.30 H new ATOM 0 HD11 ILE A 148 9.520 6.399 2.354 1.00 44.05 H new ATOM 0 HD12 ILE A 148 10.664 6.380 3.717 1.00 44.05 H new ATOM 0 HD13 ILE A 148 10.583 7.796 2.643 1.00 44.05 H new ATOM 1558 N ASN A 149 16.082 6.247 1.609 1.00 45.24 N ATOM 1559 CA ASN A 149 17.420 6.404 2.132 1.00 61.41 C ATOM 1560 C ASN A 149 17.474 7.529 3.163 1.00 72.04 C ATOM 1561 O ASN A 149 18.548 7.912 3.613 1.00 22.31 O ATOM 1562 CB ASN A 149 18.402 6.686 0.972 1.00 3.14 C ATOM 1563 CG ASN A 149 17.946 7.781 0.001 1.00 54.51 C ATOM 1564 OD1 ASN A 149 18.248 7.725 -1.184 1.00 32.43 O ATOM 1565 ND2 ASN A 149 17.250 8.784 0.482 1.00 63.12 N ATOM 0 H ASN A 149 15.850 6.898 0.859 1.00 45.24 H new ATOM 0 HA ASN A 149 17.711 5.479 2.631 1.00 61.41 H new ATOM 0 HB2 ASN A 149 19.367 6.970 1.392 1.00 3.14 H new ATOM 0 HB3 ASN A 149 18.557 5.764 0.412 1.00 3.14 H new ATOM 0 HD21 ASN A 149 16.949 9.538 -0.135 1.00 63.12 H new ATOM 0 HD22 ASN A 149 17.010 8.809 1.473 1.00 63.12 H new ATOM 1572 N ASP A 150 16.312 8.051 3.554 1.00 45.11 N ATOM 1573 CA ASP A 150 16.301 9.251 4.398 1.00 30.34 C ATOM 1574 C ASP A 150 15.031 9.359 5.223 1.00 4.22 C ATOM 1575 O ASP A 150 15.068 9.471 6.444 1.00 62.12 O ATOM 1576 CB ASP A 150 16.373 10.457 3.493 1.00 22.34 C ATOM 1577 CG ASP A 150 16.754 11.732 4.202 1.00 75.42 C ATOM 1578 OD1 ASP A 150 15.909 12.346 4.881 1.00 22.20 O ATOM 1579 OD2 ASP A 150 17.923 12.156 4.057 1.00 73.41 O ATOM 0 H ASP A 150 15.394 7.679 3.312 1.00 45.11 H new ATOM 0 HA ASP A 150 17.148 9.195 5.082 1.00 30.34 H new ATOM 0 HB2 ASP A 150 17.097 10.263 2.702 1.00 22.34 H new ATOM 0 HB3 ASP A 150 15.405 10.596 3.012 1.00 22.34 H new ATOM 1584 N LEU A 151 13.895 9.262 4.547 1.00 2.41 N ATOM 1585 CA LEU A 151 12.561 9.457 5.147 1.00 71.02 C ATOM 1586 C LEU A 151 12.122 8.196 5.914 1.00 4.35 C ATOM 1587 O LEU A 151 10.960 8.037 6.297 1.00 52.44 O ATOM 1588 CB LEU A 151 11.575 9.771 4.025 1.00 32.25 C ATOM 1589 CG LEU A 151 11.984 10.893 3.073 1.00 40.35 C ATOM 1590 CD1 LEU A 151 11.388 10.662 1.704 1.00 43.45 C ATOM 1591 CD2 LEU A 151 11.501 12.213 3.588 1.00 43.32 C ATOM 0 H LEU A 151 13.862 9.043 3.551 1.00 2.41 H new ATOM 0 HA LEU A 151 12.591 10.282 5.859 1.00 71.02 H new ATOM 0 HB2 LEU A 151 11.418 8.864 3.441 1.00 32.25 H new ATOM 0 HB3 LEU A 151 10.616 10.032 4.473 1.00 32.25 H new ATOM 0 HG LEU A 151 13.072 10.899 3.005 1.00 40.35 H new ATOM 0 HD11 LEU A 151 11.688 11.469 1.036 1.00 43.45 H new ATOM 0 HD12 LEU A 151 11.745 9.711 1.308 1.00 43.45 H new ATOM 0 HD13 LEU A 151 10.301 10.638 1.780 1.00 43.45 H new ATOM 0 HD21 LEU A 151 11.800 13.004 2.900 1.00 43.32 H new ATOM 0 HD22 LEU A 151 10.414 12.196 3.671 1.00 43.32 H new ATOM 0 HD23 LEU A 151 11.937 12.402 4.569 1.00 43.32 H new ATOM 1603 N THR A 152 13.083 7.343 6.122 1.00 4.33 N ATOM 1604 CA THR A 152 12.986 6.077 6.805 1.00 63.03 C ATOM 1605 C THR A 152 12.869 6.279 8.328 1.00 3.40 C ATOM 1606 O THR A 152 12.488 5.370 9.076 1.00 13.22 O ATOM 1607 CB THR A 152 14.293 5.351 6.483 1.00 41.24 C ATOM 1608 OG1 THR A 152 14.476 5.458 5.086 1.00 43.14 O ATOM 1609 CG2 THR A 152 14.277 3.878 6.870 1.00 61.25 C ATOM 0 H THR A 152 14.031 7.526 5.794 1.00 4.33 H new ATOM 0 HA THR A 152 12.104 5.520 6.488 1.00 63.03 H new ATOM 0 HB THR A 152 15.099 5.808 7.057 1.00 41.24 H new ATOM 0 HG1 THR A 152 13.792 4.928 4.625 1.00 43.14 H new ATOM 0 HG21 THR A 152 15.234 3.424 6.614 1.00 61.25 H new ATOM 0 HG22 THR A 152 14.107 3.785 7.943 1.00 61.25 H new ATOM 0 HG23 THR A 152 13.478 3.369 6.331 1.00 61.25 H new ATOM 1617 N PHE A 153 13.212 7.463 8.782 1.00 42.21 N ATOM 1618 CA PHE A 153 13.172 7.778 10.202 1.00 72.41 C ATOM 1619 C PHE A 153 11.894 8.524 10.540 1.00 40.24 C ATOM 1620 O PHE A 153 11.174 8.992 9.622 1.00 22.15 O ATOM 1621 CB PHE A 153 14.395 8.609 10.599 1.00 40.41 C ATOM 1622 CG PHE A 153 15.708 7.917 10.359 1.00 12.43 C ATOM 1623 CD1 PHE A 153 16.236 7.061 11.307 1.00 31.55 C ATOM 1624 CD2 PHE A 153 16.411 8.125 9.183 1.00 24.15 C ATOM 1625 CE1 PHE A 153 17.439 6.424 11.089 1.00 71.14 C ATOM 1626 CE2 PHE A 153 17.612 7.491 8.959 1.00 43.33 C ATOM 1627 CZ PHE A 153 18.127 6.638 9.911 1.00 12.10 C ATOM 0 H PHE A 153 13.524 8.232 8.189 1.00 42.21 H new ATOM 0 HA PHE A 153 13.190 6.845 10.765 1.00 72.41 H new ATOM 0 HB2 PHE A 153 14.382 9.545 10.041 1.00 40.41 H new ATOM 0 HB3 PHE A 153 14.319 8.866 11.655 1.00 40.41 H new ATOM 0 HD1 PHE A 153 15.700 6.889 12.229 1.00 31.55 H new ATOM 0 HD2 PHE A 153 16.012 8.792 8.434 1.00 24.15 H new ATOM 0 HE1 PHE A 153 17.843 5.759 11.838 1.00 71.14 H new ATOM 0 HE2 PHE A 153 18.150 7.662 8.038 1.00 43.33 H new ATOM 0 HZ PHE A 153 19.068 6.137 9.736 1.00 12.10 H new