USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=35 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 73 LYS NZ :NH3+ -153:sc= 0.643 (180deg=-0.118) USER MOD Set 1.2: A 101 SER OG : rot -110:sc= 0.392 USER MOD Set 1.3: A 141 GLN : amide:sc= 0.299 K(o=1.3,f=-0.23) USER MOD Set 2.1: A 76 THR OG1 : rot 171:sc= 0.388 USER MOD Set 2.2: A 112 LYS NZ :NH3+ -135:sc= 0.376 (180deg=0) USER MOD Set 3.1: A 104 CYS SG : rot -112:sc= -4.7! USER MOD Set 3.2: A 107 CYS SG : rot 123:sc= 2.06! USER MOD Set 3.3: A 120 HIS : no HE2:sc= -6.68! C(o=-9.7!,f=-29!) USER MOD Set 3.4: A 125 HIS : +bothHN:sc= -0.338 K(o=-9.7,f=-29!) USER MOD Set 4.1: A 72 CYS SG : rot 125:sc= -1.13! USER MOD Set 4.2: A 75 CYS SG : rot -103:sc= -4.77! USER MOD Set 4.3: A 88 HIS : no HE2:sc= -1.61! C(o=-9.9!,f=-30!) USER MOD Set 4.4: A 93 HIS : no HE2:sc= -2.44 K(o=-9.9,f=-17!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -2.47! C(o=-2.5!,f=-8.8!) USER MOD Single : A 79 THR OG1 : rot 160:sc= 0.00579 USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 84 MET CE :methyl -165:sc= -0.124 (180deg=-0.445) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -105:sc= 1.31 USER MOD Single : A 100 SER OG : rot 29:sc= 0.0483 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.394 F(o=-1.6!,f=-0.39) USER MOD Single : A 111 THR OG1 : rot 37:sc= 1.09 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 85:sc= 0.0696 USER MOD Single : A 121 ASN : amide:sc= -2.93! C(o=-2.9!,f=-6!) USER MOD Single : A 123 LYS NZ :NH3+ 162:sc= 0.00407 (180deg=0) USER MOD Single : A 124 TYR OH : rot -148:sc= -1.9! USER MOD Single : A 130 ASN :FLIP amide:sc= -0.531 F(o=-1.2,f=-0.53) 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 162:sc= -0.0589 (180deg=-0.492) USER MOD Single : A 137 LYS NZ :NH3+ -179:sc= 1.18 (180deg=1.11) USER MOD Single : A 139 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 ASN : amide:sc= -0.0422 X(o=-0.042,f=0) USER MOD Single : A 142 THR OG1 : rot 43:sc= 0.0259 USER MOD Single : A 146 GLN : amide:sc= -0.527 X(o=-0.53,f=-0.38) USER MOD Single : A 147 THR OG1 : rot -141:sc= -2.02! USER MOD Single : A 149 ASN :FLIP amide:sc= -3.2! C(o=-4.1!,f=-3.2!) USER MOD Single : A 152 THR OG1 : rot -75:sc= 0.882 USER MOD ----------------------------------------------------------------- ATOM 235 N VAL A 66 -4.676 5.610 -4.220 1.00 24.13 N ATOM 236 CA VAL A 66 -4.149 5.695 -2.881 1.00 11.24 C ATOM 237 C VAL A 66 -4.341 7.159 -2.355 1.00 33.32 C ATOM 238 O VAL A 66 -4.102 8.136 -3.088 1.00 42.22 O ATOM 239 CB VAL A 66 -2.642 5.265 -2.903 1.00 12.25 C ATOM 240 CG1 VAL A 66 -1.706 6.368 -3.359 1.00 54.53 C ATOM 241 CG2 VAL A 66 -2.199 4.638 -1.601 1.00 41.44 C ATOM 0 HA VAL A 66 -4.677 5.025 -2.203 1.00 11.24 H new ATOM 0 HB VAL A 66 -2.574 4.488 -3.664 1.00 12.25 H new ATOM 0 HG11 VAL A 66 -0.680 6.001 -3.350 1.00 54.53 H new ATOM 0 HG12 VAL A 66 -1.972 6.676 -4.370 1.00 54.53 H new ATOM 0 HG13 VAL A 66 -1.792 7.220 -2.685 1.00 54.53 H new ATOM 0 HG21 VAL A 66 -1.148 4.359 -1.671 1.00 41.44 H new ATOM 0 HG22 VAL A 66 -2.331 5.353 -0.789 1.00 41.44 H new ATOM 0 HG23 VAL A 66 -2.798 3.749 -1.403 1.00 41.44 H new ATOM 251 N GLU A 67 -4.867 7.311 -1.165 1.00 63.22 N ATOM 252 CA GLU A 67 -5.146 8.643 -0.647 1.00 62.25 C ATOM 253 C GLU A 67 -4.099 9.104 0.331 1.00 21.40 C ATOM 254 O GLU A 67 -3.246 9.920 -0.008 1.00 70.31 O ATOM 255 CB GLU A 67 -6.515 8.687 -0.005 1.00 4.03 C ATOM 256 CG GLU A 67 -7.615 8.239 -0.907 1.00 62.21 C ATOM 257 CD GLU A 67 -8.966 8.384 -0.267 1.00 23.45 C ATOM 258 OE1 GLU A 67 -9.350 9.513 0.076 1.00 14.32 O ATOM 259 OE2 GLU A 67 -9.659 7.363 -0.069 1.00 75.01 O ATOM 0 H GLU A 67 -5.111 6.545 -0.538 1.00 63.22 H new ATOM 0 HA GLU A 67 -5.125 9.327 -1.495 1.00 62.25 H new ATOM 0 HB2 GLU A 67 -6.509 8.059 0.886 1.00 4.03 H new ATOM 0 HB3 GLU A 67 -6.719 9.706 0.325 1.00 4.03 H new ATOM 0 HG2 GLU A 67 -7.587 8.820 -1.829 1.00 62.21 H new ATOM 0 HG3 GLU A 67 -7.455 7.197 -1.183 1.00 62.21 H new ATOM 266 N GLY A 68 -4.154 8.587 1.535 1.00 54.11 N ATOM 267 CA GLY A 68 -3.202 8.980 2.541 1.00 41.11 C ATOM 268 C GLY A 68 -3.078 7.957 3.618 1.00 20.34 C ATOM 269 O GLY A 68 -2.712 8.262 4.752 1.00 63.34 O ATOM 0 H GLY A 68 -4.843 7.899 1.839 1.00 54.11 H new ATOM 0 HA2 GLY A 68 -2.228 9.139 2.077 1.00 41.11 H new ATOM 0 HA3 GLY A 68 -3.506 9.931 2.977 1.00 41.11 H new ATOM 273 N GLY A 69 -3.426 6.760 3.283 1.00 35.43 N ATOM 274 CA GLY A 69 -3.307 5.679 4.212 1.00 54.03 C ATOM 275 C GLY A 69 -2.666 4.466 3.601 1.00 11.24 C ATOM 276 O GLY A 69 -1.858 4.574 2.688 1.00 1.23 O ATOM 0 H GLY A 69 -3.797 6.501 2.369 1.00 35.43 H new ATOM 0 HA2 GLY A 69 -2.719 6.004 5.070 1.00 54.03 H new ATOM 0 HA3 GLY A 69 -4.296 5.414 4.586 1.00 54.03 H new ATOM 280 N TYR A 70 -3.063 3.314 4.055 1.00 24.55 N ATOM 281 CA TYR A 70 -2.500 2.075 3.581 1.00 71.51 C ATOM 282 C TYR A 70 -3.538 1.308 2.856 1.00 43.13 C ATOM 283 O TYR A 70 -4.582 0.959 3.414 1.00 50.05 O ATOM 284 CB TYR A 70 -1.945 1.269 4.746 1.00 34.13 C ATOM 285 CG TYR A 70 -1.156 2.109 5.718 1.00 50.35 C ATOM 286 CD1 TYR A 70 -0.002 2.776 5.327 1.00 53.12 C ATOM 287 CD2 TYR A 70 -1.612 2.289 7.007 1.00 14.34 C ATOM 288 CE1 TYR A 70 0.677 3.587 6.205 1.00 23.13 C ATOM 289 CE2 TYR A 70 -0.961 3.104 7.886 1.00 62.41 C ATOM 290 CZ TYR A 70 0.196 3.756 7.486 1.00 14.44 C ATOM 291 OH TYR A 70 0.859 4.597 8.359 1.00 63.51 O ATOM 0 H TYR A 70 -3.787 3.202 4.765 1.00 24.55 H new ATOM 0 HA TYR A 70 -1.678 2.288 2.897 1.00 71.51 H new ATOM 0 HB2 TYR A 70 -2.769 0.789 5.274 1.00 34.13 H new ATOM 0 HB3 TYR A 70 -1.307 0.474 4.360 1.00 34.13 H new ATOM 0 HD1 TYR A 70 0.367 2.656 4.319 1.00 53.12 H new ATOM 0 HD2 TYR A 70 -2.505 1.773 7.328 1.00 14.34 H new ATOM 0 HE1 TYR A 70 1.581 4.089 5.893 1.00 23.13 H new ATOM 0 HE2 TYR A 70 -1.344 3.241 8.887 1.00 62.41 H new ATOM 0 HH TYR A 70 0.393 4.608 9.221 1.00 63.51 H new ATOM 301 N GLU A 71 -3.292 1.139 1.600 1.00 0.53 N ATOM 302 CA GLU A 71 -4.116 0.346 0.765 1.00 71.52 C ATOM 303 C GLU A 71 -3.492 -1.021 0.717 1.00 50.11 C ATOM 304 O GLU A 71 -2.287 -1.152 0.847 1.00 4.54 O ATOM 305 CB GLU A 71 -4.145 0.909 -0.660 1.00 21.34 C ATOM 306 CG GLU A 71 -4.985 0.076 -1.626 1.00 25.14 C ATOM 307 CD GLU A 71 -4.571 0.262 -3.049 1.00 41.30 C ATOM 308 OE1 GLU A 71 -3.431 -0.146 -3.411 1.00 2.24 O ATOM 309 OE2 GLU A 71 -5.341 0.816 -3.857 1.00 51.14 O ATOM 0 H GLU A 71 -2.496 1.559 1.120 1.00 0.53 H new ATOM 0 HA GLU A 71 -5.135 0.327 1.153 1.00 71.52 H new ATOM 0 HB2 GLU A 71 -4.538 1.925 -0.633 1.00 21.34 H new ATOM 0 HB3 GLU A 71 -3.125 0.971 -1.039 1.00 21.34 H new ATOM 0 HG2 GLU A 71 -4.900 -0.978 -1.361 1.00 25.14 H new ATOM 0 HG3 GLU A 71 -6.035 0.348 -1.518 1.00 25.14 H new ATOM 316 N CYS A 72 -4.299 -1.995 0.612 1.00 34.33 N ATOM 317 CA CYS A 72 -3.834 -3.327 0.368 1.00 14.34 C ATOM 318 C CYS A 72 -3.786 -3.590 -1.145 1.00 32.24 C ATOM 319 O CYS A 72 -4.711 -3.276 -1.872 1.00 45.32 O ATOM 320 CB CYS A 72 -4.775 -4.356 0.954 1.00 61.32 C ATOM 321 SG CYS A 72 -5.173 -4.239 2.736 1.00 41.32 S ATOM 0 H CYS A 72 -5.312 -1.908 0.691 1.00 34.33 H new ATOM 0 HA CYS A 72 -2.849 -3.412 0.827 1.00 14.34 H new ATOM 0 HB2 CYS A 72 -5.712 -4.307 0.399 1.00 61.32 H new ATOM 0 HB3 CYS A 72 -4.348 -5.342 0.771 1.00 61.32 H new ATOM 0 HG CYS A 72 -6.463 -4.190 2.890 1.00 41.32 H new ATOM 326 N LYS A 73 -2.740 -4.233 -1.574 1.00 73.05 N ATOM 327 CA LYS A 73 -2.557 -4.693 -2.954 1.00 35.00 C ATOM 328 C LYS A 73 -3.653 -5.733 -3.331 1.00 31.21 C ATOM 329 O LYS A 73 -3.907 -6.016 -4.505 1.00 64.31 O ATOM 330 CB LYS A 73 -1.096 -5.267 -3.044 1.00 50.41 C ATOM 331 CG LYS A 73 -0.653 -5.953 -4.338 1.00 53.34 C ATOM 332 CD LYS A 73 -1.061 -7.419 -4.374 1.00 70.01 C ATOM 333 CE LYS A 73 -0.248 -8.322 -3.432 1.00 14.22 C ATOM 334 NZ LYS A 73 1.172 -8.442 -3.816 1.00 74.14 N ATOM 0 H LYS A 73 -1.955 -4.468 -0.967 1.00 73.05 H new ATOM 0 HA LYS A 73 -2.670 -3.884 -3.676 1.00 35.00 H new ATOM 0 HB2 LYS A 73 -0.406 -4.445 -2.853 1.00 50.41 H new ATOM 0 HB3 LYS A 73 -0.972 -5.983 -2.231 1.00 50.41 H new ATOM 0 HG2 LYS A 73 -1.089 -5.434 -5.191 1.00 53.34 H new ATOM 0 HG3 LYS A 73 0.430 -5.875 -4.437 1.00 53.34 H new ATOM 0 HD2 LYS A 73 -2.116 -7.497 -4.113 1.00 70.01 H new ATOM 0 HD3 LYS A 73 -0.956 -7.789 -5.394 1.00 70.01 H new ATOM 0 HE2 LYS A 73 -0.310 -7.927 -2.418 1.00 14.22 H new ATOM 0 HE3 LYS A 73 -0.697 -9.315 -3.415 1.00 14.22 H new ATOM 0 HZ1 LYS A 73 1.547 -9.351 -3.478 1.00 74.14 H new ATOM 0 HZ2 LYS A 73 1.257 -8.396 -4.852 1.00 74.14 H new ATOM 0 HZ3 LYS A 73 1.714 -7.664 -3.389 1.00 74.14 H new ATOM 348 N TYR A 74 -4.327 -6.224 -2.318 1.00 32.24 N ATOM 349 CA TYR A 74 -5.304 -7.276 -2.437 1.00 64.43 C ATOM 350 C TYR A 74 -6.711 -6.836 -2.027 1.00 20.21 C ATOM 351 O TYR A 74 -7.631 -7.652 -1.947 1.00 44.22 O ATOM 352 CB TYR A 74 -4.822 -8.525 -1.670 1.00 60.05 C ATOM 353 CG TYR A 74 -3.831 -8.230 -0.543 1.00 42.44 C ATOM 354 CD1 TYR A 74 -2.475 -8.103 -0.820 1.00 23.43 C ATOM 355 CD2 TYR A 74 -4.234 -8.076 0.764 1.00 11.31 C ATOM 356 CE1 TYR A 74 -1.557 -7.835 0.166 1.00 12.14 C ATOM 357 CE2 TYR A 74 -3.314 -7.803 1.766 1.00 35.40 C ATOM 358 CZ TYR A 74 -1.979 -7.684 1.459 1.00 73.40 C ATOM 359 OH TYR A 74 -1.070 -7.405 2.442 1.00 73.42 O ATOM 0 H TYR A 74 -4.206 -5.892 -1.361 1.00 32.24 H new ATOM 0 HA TYR A 74 -5.392 -7.535 -3.492 1.00 64.43 H new ATOM 0 HB2 TYR A 74 -5.689 -9.036 -1.251 1.00 60.05 H new ATOM 0 HB3 TYR A 74 -4.357 -9.213 -2.376 1.00 60.05 H new ATOM 0 HD1 TYR A 74 -2.134 -8.218 -1.838 1.00 23.43 H new ATOM 0 HD2 TYR A 74 -5.281 -8.169 1.013 1.00 11.31 H new ATOM 0 HE1 TYR A 74 -0.509 -7.744 -0.078 1.00 12.14 H new ATOM 0 HE2 TYR A 74 -3.646 -7.684 2.787 1.00 35.40 H new ATOM 0 HH TYR A 74 -1.532 -7.327 3.303 1.00 73.42 H new ATOM 369 N CYS A 75 -6.885 -5.548 -1.783 1.00 0.32 N ATOM 370 CA CYS A 75 -8.198 -5.005 -1.515 1.00 72.23 C ATOM 371 C CYS A 75 -8.195 -3.517 -1.756 1.00 20.32 C ATOM 372 O CYS A 75 -7.364 -2.806 -1.204 1.00 72.53 O ATOM 373 CB CYS A 75 -8.741 -5.376 -0.088 1.00 21.11 C ATOM 374 SG CYS A 75 -7.882 -4.671 1.413 1.00 24.40 S ATOM 0 H CYS A 75 -6.131 -4.862 -1.766 1.00 0.32 H new ATOM 0 HA CYS A 75 -8.896 -5.469 -2.211 1.00 72.23 H new ATOM 0 HB2 CYS A 75 -9.787 -5.071 -0.043 1.00 21.11 H new ATOM 0 HB3 CYS A 75 -8.721 -6.462 0.000 1.00 21.11 H new ATOM 0 HG CYS A 75 -7.136 -5.587 1.956 1.00 24.40 H new ATOM 379 N THR A 76 -9.100 -3.040 -2.588 1.00 0.10 N ATOM 380 CA THR A 76 -9.177 -1.631 -2.858 1.00 40.10 C ATOM 381 C THR A 76 -9.990 -0.966 -1.754 1.00 52.15 C ATOM 382 O THR A 76 -11.194 -0.668 -1.885 1.00 63.24 O ATOM 383 CB THR A 76 -9.736 -1.339 -4.267 1.00 43.40 C ATOM 384 OG1 THR A 76 -8.937 -2.065 -5.223 1.00 62.24 O ATOM 385 CG2 THR A 76 -9.664 0.154 -4.595 1.00 61.44 C ATOM 0 H THR A 76 -9.786 -3.610 -3.083 1.00 0.10 H new ATOM 0 HA THR A 76 -8.173 -1.207 -2.858 1.00 40.10 H new ATOM 0 HB THR A 76 -10.781 -1.646 -4.305 1.00 43.40 H new ATOM 0 HG1 THR A 76 -9.357 -2.014 -6.107 1.00 62.24 H new ATOM 0 HG21 THR A 76 -10.065 0.327 -5.594 1.00 61.44 H new ATOM 0 HG22 THR A 76 -10.249 0.715 -3.867 1.00 61.44 H new ATOM 0 HG23 THR A 76 -8.626 0.485 -4.559 1.00 61.44 H new ATOM 393 N PHE A 77 -9.341 -0.904 -0.642 1.00 55.32 N ATOM 394 CA PHE A 77 -9.802 -0.349 0.569 1.00 74.42 C ATOM 395 C PHE A 77 -8.585 0.096 1.311 1.00 31.34 C ATOM 396 O PHE A 77 -7.607 -0.664 1.442 1.00 63.52 O ATOM 397 CB PHE A 77 -10.582 -1.393 1.383 1.00 73.00 C ATOM 398 CG PHE A 77 -10.850 -0.984 2.805 1.00 63.54 C ATOM 399 CD1 PHE A 77 -11.607 0.136 3.103 1.00 52.31 C ATOM 400 CD2 PHE A 77 -10.332 -1.729 3.842 1.00 70.41 C ATOM 401 CE1 PHE A 77 -11.834 0.503 4.414 1.00 62.23 C ATOM 402 CE2 PHE A 77 -10.558 -1.370 5.147 1.00 72.34 C ATOM 403 CZ PHE A 77 -11.310 -0.253 5.438 1.00 62.42 C ATOM 0 H PHE A 77 -8.394 -1.274 -0.558 1.00 55.32 H new ATOM 0 HA PHE A 77 -10.483 0.483 0.389 1.00 74.42 H new ATOM 0 HB2 PHE A 77 -11.533 -1.589 0.887 1.00 73.00 H new ATOM 0 HB3 PHE A 77 -10.024 -2.329 1.384 1.00 73.00 H new ATOM 0 HD1 PHE A 77 -12.024 0.728 2.302 1.00 52.31 H new ATOM 0 HD2 PHE A 77 -9.741 -2.606 3.625 1.00 70.41 H new ATOM 0 HE1 PHE A 77 -12.422 1.382 4.636 1.00 62.23 H new ATOM 0 HE2 PHE A 77 -10.145 -1.965 5.948 1.00 72.34 H new ATOM 0 HZ PHE A 77 -11.488 0.028 6.465 1.00 62.42 H new ATOM 413 N GLN A 78 -8.612 1.290 1.759 1.00 74.33 N ATOM 414 CA GLN A 78 -7.503 1.850 2.423 1.00 15.51 C ATOM 415 C GLN A 78 -7.866 2.320 3.821 1.00 61.34 C ATOM 416 O GLN A 78 -9.025 2.632 4.106 1.00 41.13 O ATOM 417 CB GLN A 78 -6.940 2.990 1.565 1.00 20.12 C ATOM 418 CG GLN A 78 -5.923 3.842 2.261 1.00 61.40 C ATOM 419 CD GLN A 78 -5.271 4.820 1.363 1.00 30.24 C ATOM 420 OE1 GLN A 78 -5.709 5.925 1.187 1.00 21.42 O ATOM 421 NE2 GLN A 78 -4.172 4.441 0.865 1.00 62.02 N ATOM 0 H GLN A 78 -9.414 1.914 1.674 1.00 74.33 H new ATOM 0 HA GLN A 78 -6.735 1.087 2.552 1.00 15.51 H new ATOM 0 HB2 GLN A 78 -6.488 2.565 0.668 1.00 20.12 H new ATOM 0 HB3 GLN A 78 -7.764 3.623 1.237 1.00 20.12 H new ATOM 0 HG2 GLN A 78 -6.405 4.375 3.080 1.00 61.40 H new ATOM 0 HG3 GLN A 78 -5.161 3.200 2.703 1.00 61.40 H new ATOM 0 HE21 GLN A 78 -3.833 3.494 1.037 1.00 62.02 H new ATOM 0 HE22 GLN A 78 -3.624 5.082 0.291 1.00 62.02 H new ATOM 430 N THR A 79 -6.892 2.309 4.692 1.00 31.52 N ATOM 431 CA THR A 79 -7.031 2.881 5.979 1.00 3.53 C ATOM 432 C THR A 79 -5.670 3.439 6.425 1.00 53.11 C ATOM 433 O THR A 79 -4.655 2.766 6.321 1.00 43.33 O ATOM 434 CB THR A 79 -7.624 1.891 7.029 1.00 31.22 C ATOM 435 OG1 THR A 79 -7.750 2.538 8.309 1.00 60.34 O ATOM 436 CG2 THR A 79 -6.764 0.643 7.170 1.00 41.42 C ATOM 0 H THR A 79 -5.977 1.896 4.514 1.00 31.52 H new ATOM 0 HA THR A 79 -7.756 3.692 5.914 1.00 3.53 H new ATOM 0 HB THR A 79 -8.609 1.588 6.674 1.00 31.22 H new ATOM 0 HG1 THR A 79 -8.395 2.049 8.861 1.00 60.34 H new ATOM 0 HG21 THR A 79 -7.208 -0.023 7.910 1.00 41.42 H new ATOM 0 HG22 THR A 79 -6.705 0.131 6.209 1.00 41.42 H new ATOM 0 HG23 THR A 79 -5.762 0.926 7.492 1.00 41.42 H new ATOM 444 N PRO A 80 -5.611 4.733 6.759 1.00 1.22 N ATOM 445 CA PRO A 80 -4.405 5.365 7.325 1.00 24.10 C ATOM 446 C PRO A 80 -4.087 4.890 8.742 1.00 71.30 C ATOM 447 O PRO A 80 -3.063 5.247 9.316 1.00 33.31 O ATOM 448 CB PRO A 80 -4.732 6.860 7.309 1.00 63.11 C ATOM 449 CG PRO A 80 -6.215 6.925 7.258 1.00 34.42 C ATOM 450 CD PRO A 80 -6.659 5.718 6.488 1.00 71.25 C ATOM 0 HA PRO A 80 -3.516 5.109 6.749 1.00 24.10 H new ATOM 0 HB2 PRO A 80 -4.345 7.359 8.197 1.00 63.11 H new ATOM 0 HB3 PRO A 80 -4.285 7.353 6.446 1.00 63.11 H new ATOM 0 HG2 PRO A 80 -6.640 6.924 8.262 1.00 34.42 H new ATOM 0 HG3 PRO A 80 -6.548 7.842 6.771 1.00 34.42 H new ATOM 0 HD2 PRO A 80 -7.636 5.367 6.821 1.00 71.25 H new ATOM 0 HD3 PRO A 80 -6.743 5.931 5.422 1.00 71.25 H new ATOM 458 N ASP A 81 -4.956 4.082 9.291 1.00 61.10 N ATOM 459 CA ASP A 81 -4.733 3.511 10.584 1.00 51.02 C ATOM 460 C ASP A 81 -4.016 2.219 10.389 1.00 25.14 C ATOM 461 O ASP A 81 -4.609 1.257 9.910 1.00 44.21 O ATOM 462 CB ASP A 81 -6.043 3.236 11.331 1.00 43.20 C ATOM 463 CG ASP A 81 -6.822 4.463 11.708 1.00 5.33 C ATOM 464 OD1 ASP A 81 -6.598 5.002 12.806 1.00 1.12 O ATOM 465 OD2 ASP A 81 -7.706 4.887 10.938 1.00 74.43 O ATOM 0 H ASP A 81 -5.834 3.805 8.852 1.00 61.10 H new ATOM 0 HA ASP A 81 -4.156 4.217 11.181 1.00 51.02 H new ATOM 0 HB2 ASP A 81 -6.673 2.600 10.709 1.00 43.20 H new ATOM 0 HB3 ASP A 81 -5.817 2.673 12.237 1.00 43.20 H new ATOM 470 N LEU A 82 -2.732 2.205 10.707 1.00 64.54 N ATOM 471 CA LEU A 82 -1.897 1.025 10.593 1.00 74.13 C ATOM 472 C LEU A 82 -2.560 -0.133 11.325 1.00 53.34 C ATOM 473 O LEU A 82 -2.633 -1.229 10.793 1.00 52.24 O ATOM 474 CB LEU A 82 -0.512 1.308 11.206 1.00 13.11 C ATOM 475 CG LEU A 82 0.701 0.475 10.703 1.00 33.44 C ATOM 476 CD1 LEU A 82 0.467 -1.006 10.812 1.00 70.24 C ATOM 477 CD2 LEU A 82 1.032 0.840 9.288 1.00 52.22 C ATOM 0 H LEU A 82 -2.236 3.025 11.056 1.00 64.54 H new ATOM 0 HA LEU A 82 -1.773 0.765 9.542 1.00 74.13 H new ATOM 0 HB2 LEU A 82 -0.284 2.361 11.040 1.00 13.11 H new ATOM 0 HB3 LEU A 82 -0.590 1.165 12.284 1.00 13.11 H new ATOM 0 HG LEU A 82 1.544 0.718 11.350 1.00 33.44 H new ATOM 0 HD11 LEU A 82 1.344 -1.541 10.448 1.00 70.24 H new ATOM 0 HD12 LEU A 82 0.288 -1.270 11.854 1.00 70.24 H new ATOM 0 HD13 LEU A 82 -0.401 -1.282 10.213 1.00 70.24 H new ATOM 0 HD21 LEU A 82 1.883 0.249 8.949 1.00 52.22 H new ATOM 0 HD22 LEU A 82 0.172 0.637 8.649 1.00 52.22 H new ATOM 0 HD23 LEU A 82 1.282 1.900 9.235 1.00 52.22 H new ATOM 489 N ASN A 83 -3.070 0.136 12.524 1.00 61.21 N ATOM 490 CA ASN A 83 -3.731 -0.865 13.338 1.00 3.24 C ATOM 491 C ASN A 83 -4.841 -1.513 12.572 1.00 24.50 C ATOM 492 O ASN A 83 -4.913 -2.715 12.500 1.00 4.23 O ATOM 493 CB ASN A 83 -4.309 -0.233 14.586 1.00 22.50 C ATOM 494 CG ASN A 83 -4.913 -1.216 15.560 1.00 13.31 C ATOM 495 OD1 ASN A 83 -4.497 -2.426 15.518 1.00 3.24 O flip ATOM 496 ND2 ASN A 83 -5.799 -0.867 16.332 1.00 71.12 N flip ATOM 0 H ASN A 83 -3.033 1.060 12.955 1.00 61.21 H new ATOM 0 HA ASN A 83 -2.989 -1.615 13.614 1.00 3.24 H new ATOM 0 HB2 ASN A 83 -3.523 0.326 15.093 1.00 22.50 H new ATOM 0 HB3 ASN A 83 -5.074 0.487 14.294 1.00 22.50 H new ATOM 0 HD21 ASN A 83 -6.111 0.104 16.344 1.00 71.12 H new ATOM 0 HD22 ASN A 83 -6.224 -1.548 16.962 1.00 71.12 H new ATOM 503 N MET A 84 -5.659 -0.708 11.947 1.00 25.35 N ATOM 504 CA MET A 84 -6.793 -1.219 11.219 1.00 14.02 C ATOM 505 C MET A 84 -6.329 -1.900 9.958 1.00 63.02 C ATOM 506 O MET A 84 -6.911 -2.897 9.526 1.00 54.30 O ATOM 507 CB MET A 84 -7.776 -0.112 10.875 1.00 43.51 C ATOM 508 CG MET A 84 -8.286 0.647 12.068 1.00 25.00 C ATOM 509 SD MET A 84 -9.147 -0.405 13.268 1.00 3.10 S ATOM 510 CE MET A 84 -10.488 -1.069 12.270 1.00 34.31 C ATOM 0 H MET A 84 -5.562 0.307 11.927 1.00 25.35 H new ATOM 0 HA MET A 84 -7.305 -1.940 11.857 1.00 14.02 H new ATOM 0 HB2 MET A 84 -7.295 0.587 10.191 1.00 43.51 H new ATOM 0 HB3 MET A 84 -8.623 -0.545 10.344 1.00 43.51 H new ATOM 0 HG2 MET A 84 -7.449 1.140 12.562 1.00 25.00 H new ATOM 0 HG3 MET A 84 -8.964 1.431 11.730 1.00 25.00 H new ATOM 0 HE1 MET A 84 -11.242 -1.510 12.921 1.00 34.31 H new ATOM 0 HE2 MET A 84 -10.938 -0.267 11.685 1.00 34.31 H new ATOM 0 HE3 MET A 84 -10.097 -1.833 11.598 1.00 34.31 H new ATOM 520 N PHE A 85 -5.261 -1.369 9.376 1.00 33.30 N ATOM 521 CA PHE A 85 -4.685 -1.937 8.179 1.00 43.21 C ATOM 522 C PHE A 85 -4.190 -3.342 8.438 1.00 71.41 C ATOM 523 O PHE A 85 -4.665 -4.285 7.829 1.00 40.12 O ATOM 524 CB PHE A 85 -3.535 -1.042 7.659 1.00 55.35 C ATOM 525 CG PHE A 85 -2.685 -1.693 6.596 1.00 24.20 C ATOM 526 CD1 PHE A 85 -3.152 -1.854 5.294 1.00 72.23 C ATOM 527 CD2 PHE A 85 -1.414 -2.157 6.913 1.00 73.01 C ATOM 528 CE1 PHE A 85 -2.361 -2.459 4.334 1.00 21.43 C ATOM 529 CE2 PHE A 85 -0.624 -2.763 5.957 1.00 4.13 C ATOM 530 CZ PHE A 85 -1.099 -2.915 4.667 1.00 4.23 C ATOM 0 H PHE A 85 -4.778 -0.540 9.722 1.00 33.30 H new ATOM 0 HA PHE A 85 -5.460 -1.986 7.414 1.00 43.21 H new ATOM 0 HB2 PHE A 85 -3.958 -0.121 7.258 1.00 55.35 H new ATOM 0 HB3 PHE A 85 -2.898 -0.762 8.498 1.00 55.35 H new ATOM 0 HD1 PHE A 85 -4.139 -1.504 5.032 1.00 72.23 H new ATOM 0 HD2 PHE A 85 -1.040 -2.042 7.920 1.00 73.01 H new ATOM 0 HE1 PHE A 85 -2.729 -2.575 3.325 1.00 21.43 H new ATOM 0 HE2 PHE A 85 0.363 -3.118 6.216 1.00 4.13 H new ATOM 0 HZ PHE A 85 -0.483 -3.391 3.918 1.00 4.23 H new ATOM 540 N THR A 86 -3.346 -3.480 9.417 1.00 45.45 N ATOM 541 CA THR A 86 -2.746 -4.748 9.725 1.00 72.12 C ATOM 542 C THR A 86 -3.796 -5.695 10.333 1.00 61.22 C ATOM 543 O THR A 86 -3.703 -6.918 10.194 1.00 12.51 O ATOM 544 CB THR A 86 -1.482 -4.572 10.637 1.00 0.51 C ATOM 545 OG1 THR A 86 -0.780 -5.803 10.818 1.00 53.54 O ATOM 546 CG2 THR A 86 -1.848 -3.991 11.979 1.00 3.45 C ATOM 0 H THR A 86 -3.052 -2.717 10.027 1.00 45.45 H new ATOM 0 HA THR A 86 -2.390 -5.208 8.803 1.00 72.12 H new ATOM 0 HB THR A 86 -0.822 -3.875 10.121 1.00 0.51 H new ATOM 0 HG1 THR A 86 0.001 -5.653 11.390 1.00 53.54 H new ATOM 0 HG21 THR A 86 -0.949 -3.882 12.586 1.00 3.45 H new ATOM 0 HG22 THR A 86 -2.311 -3.014 11.839 1.00 3.45 H new ATOM 0 HG23 THR A 86 -2.549 -4.656 12.484 1.00 3.45 H new ATOM 554 N PHE A 87 -4.820 -5.115 10.955 1.00 44.30 N ATOM 555 CA PHE A 87 -5.905 -5.878 11.508 1.00 2.34 C ATOM 556 C PHE A 87 -6.719 -6.502 10.414 1.00 15.23 C ATOM 557 O PHE A 87 -6.798 -7.716 10.341 1.00 42.21 O ATOM 558 CB PHE A 87 -6.786 -5.034 12.450 1.00 62.21 C ATOM 559 CG PHE A 87 -8.134 -5.650 12.766 1.00 45.14 C ATOM 560 CD1 PHE A 87 -8.228 -6.914 13.336 1.00 24.02 C ATOM 561 CD2 PHE A 87 -9.300 -4.969 12.471 1.00 33.25 C ATOM 562 CE1 PHE A 87 -9.456 -7.476 13.612 1.00 23.52 C ATOM 563 CE2 PHE A 87 -10.532 -5.529 12.747 1.00 73.54 C ATOM 564 CZ PHE A 87 -10.609 -6.782 13.319 1.00 60.32 C ATOM 0 H PHE A 87 -4.909 -4.107 11.083 1.00 44.30 H new ATOM 0 HA PHE A 87 -5.473 -6.675 12.113 1.00 2.34 H new ATOM 0 HB2 PHE A 87 -6.247 -4.871 13.383 1.00 62.21 H new ATOM 0 HB3 PHE A 87 -6.945 -4.055 11.999 1.00 62.21 H new ATOM 0 HD1 PHE A 87 -7.327 -7.463 13.566 1.00 24.02 H new ATOM 0 HD2 PHE A 87 -9.247 -3.989 12.020 1.00 33.25 H new ATOM 0 HE1 PHE A 87 -9.514 -8.458 14.057 1.00 23.52 H new ATOM 0 HE2 PHE A 87 -11.436 -4.985 12.515 1.00 73.54 H new ATOM 0 HZ PHE A 87 -11.573 -7.218 13.537 1.00 60.32 H new ATOM 574 N HIS A 88 -7.273 -5.684 9.524 1.00 75.35 N ATOM 575 CA HIS A 88 -8.125 -6.212 8.475 1.00 73.52 C ATOM 576 C HIS A 88 -7.315 -7.134 7.558 1.00 43.32 C ATOM 577 O HIS A 88 -7.842 -8.055 6.966 1.00 51.31 O ATOM 578 CB HIS A 88 -8.921 -5.109 7.710 1.00 54.45 C ATOM 579 CG HIS A 88 -8.243 -4.463 6.525 1.00 73.40 C ATOM 580 ND1 HIS A 88 -7.609 -3.248 6.560 1.00 22.11 N ATOM 581 CD2 HIS A 88 -8.162 -4.900 5.243 1.00 24.11 C ATOM 582 CE1 HIS A 88 -7.158 -2.972 5.337 1.00 22.23 C ATOM 583 NE2 HIS A 88 -7.473 -3.971 4.467 1.00 20.22 N ATOM 0 H HIS A 88 -7.148 -4.672 9.510 1.00 75.35 H new ATOM 0 HA HIS A 88 -8.903 -6.814 8.945 1.00 73.52 H new ATOM 0 HB2 HIS A 88 -9.858 -5.547 7.366 1.00 54.45 H new ATOM 0 HB3 HIS A 88 -9.178 -4.324 8.421 1.00 54.45 H new ATOM 0 HD1 HIS A 88 -7.501 -2.655 7.383 1.00 22.11 H new ATOM 0 HD2 HIS A 88 -8.571 -5.831 4.878 1.00 24.11 H new ATOM 0 HE1 HIS A 88 -6.616 -2.077 5.071 1.00 22.23 H new ATOM 591 N VAL A 89 -6.024 -6.868 7.448 1.00 74.11 N ATOM 592 CA VAL A 89 -5.159 -7.724 6.688 1.00 64.31 C ATOM 593 C VAL A 89 -5.043 -9.072 7.363 1.00 51.42 C ATOM 594 O VAL A 89 -5.494 -10.039 6.826 1.00 74.11 O ATOM 595 CB VAL A 89 -3.752 -7.115 6.450 1.00 73.53 C ATOM 596 CG1 VAL A 89 -2.787 -8.153 5.886 1.00 21.03 C ATOM 597 CG2 VAL A 89 -3.836 -5.948 5.490 1.00 74.31 C ATOM 0 H VAL A 89 -5.563 -6.066 7.878 1.00 74.11 H new ATOM 0 HA VAL A 89 -5.614 -7.841 5.704 1.00 64.31 H new ATOM 0 HB VAL A 89 -3.378 -6.773 7.415 1.00 73.53 H new ATOM 0 HG11 VAL A 89 -1.810 -7.695 5.730 1.00 21.03 H new ATOM 0 HG12 VAL A 89 -2.692 -8.981 6.589 1.00 21.03 H new ATOM 0 HG13 VAL A 89 -3.168 -8.526 4.935 1.00 21.03 H new ATOM 0 HG21 VAL A 89 -2.840 -5.533 5.334 1.00 74.31 H new ATOM 0 HG22 VAL A 89 -4.240 -6.289 4.537 1.00 74.31 H new ATOM 0 HG23 VAL A 89 -4.488 -5.180 5.907 1.00 74.31 H new ATOM 607 N ASP A 90 -4.559 -9.101 8.586 1.00 62.31 N ATOM 608 CA ASP A 90 -4.280 -10.375 9.270 1.00 34.35 C ATOM 609 C ASP A 90 -5.565 -11.143 9.559 1.00 32.24 C ATOM 610 O ASP A 90 -5.569 -12.368 9.703 1.00 12.21 O ATOM 611 CB ASP A 90 -3.503 -10.119 10.556 1.00 54.01 C ATOM 612 CG ASP A 90 -3.101 -11.375 11.289 1.00 52.13 C ATOM 613 OD1 ASP A 90 -2.109 -12.012 10.890 1.00 22.30 O ATOM 614 OD2 ASP A 90 -3.719 -11.704 12.314 1.00 74.04 O ATOM 0 H ASP A 90 -4.347 -8.269 9.137 1.00 62.31 H new ATOM 0 HA ASP A 90 -3.672 -10.991 8.608 1.00 34.35 H new ATOM 0 HB2 ASP A 90 -2.607 -9.546 10.319 1.00 54.01 H new ATOM 0 HB3 ASP A 90 -4.110 -9.502 11.219 1.00 54.01 H new ATOM 619 N SER A 91 -6.645 -10.427 9.584 1.00 43.13 N ATOM 620 CA SER A 91 -7.926 -10.996 9.859 1.00 2.11 C ATOM 621 C SER A 91 -8.578 -11.513 8.577 1.00 74.33 C ATOM 622 O SER A 91 -9.058 -12.651 8.528 1.00 35.43 O ATOM 623 CB SER A 91 -8.821 -9.945 10.543 1.00 33.34 C ATOM 624 OG SER A 91 -10.085 -10.468 10.921 1.00 12.45 O ATOM 0 H SER A 91 -6.662 -9.422 9.412 1.00 43.13 H new ATOM 0 HA SER A 91 -7.799 -11.845 10.531 1.00 2.11 H new ATOM 0 HB2 SER A 91 -8.312 -9.560 11.427 1.00 33.34 H new ATOM 0 HB3 SER A 91 -8.968 -9.103 9.867 1.00 33.34 H new ATOM 0 HG SER A 91 -10.771 -10.146 10.300 1.00 12.45 H new ATOM 630 N GLU A 92 -8.553 -10.718 7.529 1.00 15.13 N ATOM 631 CA GLU A 92 -9.305 -11.071 6.337 1.00 64.23 C ATOM 632 C GLU A 92 -8.427 -11.708 5.253 1.00 71.12 C ATOM 633 O GLU A 92 -8.792 -12.741 4.665 1.00 12.32 O ATOM 634 CB GLU A 92 -10.062 -9.858 5.781 1.00 42.34 C ATOM 635 CG GLU A 92 -10.913 -9.102 6.812 1.00 72.14 C ATOM 636 CD GLU A 92 -11.851 -9.993 7.588 1.00 34.25 C ATOM 637 OE1 GLU A 92 -12.754 -10.608 6.982 1.00 61.15 O ATOM 638 OE2 GLU A 92 -11.711 -10.092 8.840 1.00 21.42 O ATOM 0 H GLU A 92 -8.034 -9.842 7.473 1.00 15.13 H new ATOM 0 HA GLU A 92 -10.032 -11.824 6.640 1.00 64.23 H new ATOM 0 HB2 GLU A 92 -9.341 -9.165 5.348 1.00 42.34 H new ATOM 0 HB3 GLU A 92 -10.710 -10.192 4.971 1.00 42.34 H new ATOM 0 HG2 GLU A 92 -10.252 -8.588 7.510 1.00 72.14 H new ATOM 0 HG3 GLU A 92 -11.494 -8.335 6.300 1.00 72.14 H new ATOM 645 N HIS A 93 -7.272 -11.124 5.012 1.00 54.12 N ATOM 646 CA HIS A 93 -6.354 -11.575 3.987 1.00 63.03 C ATOM 647 C HIS A 93 -4.906 -11.613 4.498 1.00 32.10 C ATOM 648 O HIS A 93 -4.083 -10.795 4.087 1.00 25.41 O ATOM 649 CB HIS A 93 -6.461 -10.709 2.700 1.00 30.41 C ATOM 650 CG HIS A 93 -6.958 -9.268 2.880 1.00 31.24 C ATOM 651 ND1 HIS A 93 -8.228 -8.865 2.541 1.00 41.03 N ATOM 652 CD2 HIS A 93 -6.317 -8.141 3.323 1.00 50.53 C ATOM 653 CE1 HIS A 93 -8.338 -7.560 2.766 1.00 74.41 C ATOM 654 NE2 HIS A 93 -7.189 -7.037 3.247 1.00 14.21 N ATOM 0 H HIS A 93 -6.940 -10.311 5.530 1.00 54.12 H new ATOM 0 HA HIS A 93 -6.644 -12.594 3.730 1.00 63.03 H new ATOM 0 HB2 HIS A 93 -5.478 -10.674 2.230 1.00 30.41 H new ATOM 0 HB3 HIS A 93 -7.129 -11.215 2.003 1.00 30.41 H new ATOM 0 HD1 HIS A 93 -8.965 -9.469 2.177 1.00 41.03 H new ATOM 0 HD2 HIS A 93 -5.297 -8.104 3.677 1.00 50.53 H new ATOM 0 HE1 HIS A 93 -9.236 -6.988 2.586 1.00 74.41 H new ATOM 755 N SER A 100 4.384 -9.852 -8.798 1.00 40.30 N ATOM 756 CA SER A 100 5.080 -8.575 -8.797 1.00 32.34 C ATOM 757 C SER A 100 4.177 -7.425 -8.363 1.00 22.54 C ATOM 758 O SER A 100 3.134 -7.159 -8.973 1.00 12.14 O ATOM 759 CB SER A 100 5.722 -8.303 -10.166 1.00 42.23 C ATOM 760 OG SER A 100 6.682 -9.319 -10.478 1.00 52.33 O ATOM 0 HA SER A 100 5.877 -8.640 -8.056 1.00 32.34 H new ATOM 0 HB2 SER A 100 4.952 -8.273 -10.936 1.00 42.23 H new ATOM 0 HB3 SER A 100 6.206 -7.326 -10.160 1.00 42.23 H new ATOM 0 HG SER A 100 6.424 -10.158 -10.042 1.00 52.33 H new ATOM 766 N SER A 101 4.570 -6.783 -7.278 1.00 42.40 N ATOM 767 CA SER A 101 3.907 -5.655 -6.714 1.00 43.13 C ATOM 768 C SER A 101 4.964 -4.850 -5.983 1.00 63.20 C ATOM 769 O SER A 101 6.105 -5.325 -5.848 1.00 1.44 O ATOM 770 CB SER A 101 2.877 -6.116 -5.705 1.00 33.01 C ATOM 771 OG SER A 101 1.992 -7.088 -6.233 1.00 72.42 O ATOM 0 H SER A 101 5.400 -7.058 -6.753 1.00 42.40 H new ATOM 0 HA SER A 101 3.410 -5.072 -7.490 1.00 43.13 H new ATOM 0 HB2 SER A 101 3.387 -6.529 -4.835 1.00 33.01 H new ATOM 0 HB3 SER A 101 2.302 -5.257 -5.360 1.00 33.01 H new ATOM 0 HG SER A 101 1.100 -6.696 -6.336 1.00 72.42 H new ATOM 777 N TYR A 102 4.601 -3.690 -5.506 1.00 43.41 N ATOM 778 CA TYR A 102 5.503 -2.835 -4.769 1.00 52.02 C ATOM 779 C TYR A 102 4.969 -2.586 -3.372 1.00 42.31 C ATOM 780 O TYR A 102 3.744 -2.484 -3.171 1.00 44.43 O ATOM 781 CB TYR A 102 5.686 -1.507 -5.476 1.00 74.20 C ATOM 782 CG TYR A 102 6.749 -1.416 -6.554 1.00 33.22 C ATOM 783 CD1 TYR A 102 7.037 -2.465 -7.414 1.00 43.24 C ATOM 784 CD2 TYR A 102 7.447 -0.229 -6.721 1.00 1.51 C ATOM 785 CE1 TYR A 102 7.995 -2.329 -8.400 1.00 52.32 C ATOM 786 CE2 TYR A 102 8.403 -0.089 -7.699 1.00 62.11 C ATOM 787 CZ TYR A 102 8.675 -1.135 -8.534 1.00 61.13 C ATOM 788 OH TYR A 102 9.626 -0.988 -9.528 1.00 13.45 O ATOM 0 H TYR A 102 3.663 -3.305 -5.617 1.00 43.41 H new ATOM 0 HA TYR A 102 6.467 -3.340 -4.707 1.00 52.02 H new ATOM 0 HB2 TYR A 102 4.731 -1.233 -5.924 1.00 74.20 H new ATOM 0 HB3 TYR A 102 5.911 -0.754 -4.720 1.00 74.20 H new ATOM 0 HD1 TYR A 102 6.506 -3.400 -7.312 1.00 43.24 H new ATOM 0 HD2 TYR A 102 7.235 0.604 -6.068 1.00 1.51 H new ATOM 0 HE1 TYR A 102 8.211 -3.153 -9.063 1.00 52.32 H new ATOM 0 HE2 TYR A 102 8.936 0.844 -7.807 1.00 62.11 H new ATOM 0 HH TYR A 102 10.009 -0.087 -9.484 1.00 13.45 H new ATOM 798 N VAL A 103 5.865 -2.519 -2.421 1.00 42.41 N ATOM 799 CA VAL A 103 5.521 -2.273 -1.039 1.00 73.41 C ATOM 800 C VAL A 103 6.459 -1.209 -0.453 1.00 42.25 C ATOM 801 O VAL A 103 7.627 -1.152 -0.788 1.00 71.00 O ATOM 802 CB VAL A 103 5.631 -3.605 -0.209 1.00 61.25 C ATOM 803 CG1 VAL A 103 6.994 -4.131 -0.244 1.00 43.44 C ATOM 804 CG2 VAL A 103 5.225 -3.465 1.227 1.00 14.23 C ATOM 0 H VAL A 103 6.865 -2.635 -2.583 1.00 42.41 H new ATOM 0 HA VAL A 103 4.494 -1.911 -0.987 1.00 73.41 H new ATOM 0 HB VAL A 103 4.932 -4.290 -0.689 1.00 61.25 H new ATOM 0 HG11 VAL A 103 7.044 -5.052 0.337 1.00 43.44 H new ATOM 0 HG12 VAL A 103 7.278 -4.337 -1.276 1.00 43.44 H new ATOM 0 HG13 VAL A 103 7.678 -3.397 0.181 1.00 43.44 H new ATOM 0 HG21 VAL A 103 5.329 -4.426 1.730 1.00 14.23 H new ATOM 0 HG22 VAL A 103 5.863 -2.729 1.715 1.00 14.23 H new ATOM 0 HG23 VAL A 103 4.187 -3.138 1.281 1.00 14.23 H new ATOM 814 N CYS A 104 5.938 -0.356 0.375 1.00 71.02 N ATOM 815 CA CYS A 104 6.766 0.585 1.094 1.00 12.00 C ATOM 816 C CYS A 104 7.260 -0.169 2.262 1.00 4.11 C ATOM 817 O CYS A 104 6.495 -0.430 3.139 1.00 72.31 O ATOM 818 CB CYS A 104 5.918 1.799 1.554 1.00 35.42 C ATOM 819 SG CYS A 104 6.716 3.072 2.707 1.00 20.20 S ATOM 0 H CYS A 104 4.940 -0.286 0.575 1.00 71.02 H new ATOM 0 HA CYS A 104 7.579 0.978 0.483 1.00 12.00 H new ATOM 0 HB2 CYS A 104 5.581 2.326 0.661 1.00 35.42 H new ATOM 0 HB3 CYS A 104 5.028 1.413 2.051 1.00 35.42 H new ATOM 0 HG CYS A 104 6.151 3.012 3.876 1.00 20.20 H new ATOM 824 N VAL A 105 8.508 -0.599 2.238 1.00 72.20 N ATOM 825 CA VAL A 105 9.096 -1.377 3.334 1.00 52.23 C ATOM 826 C VAL A 105 8.963 -0.623 4.631 1.00 71.52 C ATOM 827 O VAL A 105 8.718 -1.208 5.671 1.00 14.41 O ATOM 828 CB VAL A 105 10.596 -1.641 3.127 1.00 75.45 C ATOM 829 CG1 VAL A 105 10.925 -3.051 3.392 1.00 23.34 C ATOM 830 CG2 VAL A 105 11.054 -1.251 1.765 1.00 11.33 C ATOM 0 H VAL A 105 9.149 -0.424 1.464 1.00 72.20 H new ATOM 0 HA VAL A 105 8.559 -2.325 3.357 1.00 52.23 H new ATOM 0 HB VAL A 105 11.127 -1.015 3.844 1.00 75.45 H new ATOM 0 HG11 VAL A 105 11.992 -3.211 3.238 1.00 23.34 H new ATOM 0 HG12 VAL A 105 10.666 -3.298 4.422 1.00 23.34 H new ATOM 0 HG13 VAL A 105 10.361 -3.690 2.713 1.00 23.34 H new ATOM 0 HG21 VAL A 105 12.120 -1.456 1.667 1.00 11.33 H new ATOM 0 HG22 VAL A 105 10.504 -1.824 1.018 1.00 11.33 H new ATOM 0 HG23 VAL A 105 10.874 -0.187 1.611 1.00 11.33 H new ATOM 840 N GLU A 106 9.047 0.688 4.518 1.00 2.13 N ATOM 841 CA GLU A 106 9.012 1.597 5.646 1.00 42.02 C ATOM 842 C GLU A 106 7.702 1.473 6.397 1.00 60.34 C ATOM 843 O GLU A 106 7.654 1.576 7.621 1.00 54.50 O ATOM 844 CB GLU A 106 9.177 3.031 5.156 1.00 4.32 C ATOM 845 CG GLU A 106 10.341 3.240 4.194 1.00 35.33 C ATOM 846 CD GLU A 106 11.702 2.995 4.803 1.00 40.24 C ATOM 847 OE1 GLU A 106 11.852 2.099 5.676 1.00 11.03 O ATOM 848 OE2 GLU A 106 12.662 3.644 4.361 1.00 23.33 O ATOM 0 H GLU A 106 9.144 1.161 3.619 1.00 2.13 H new ATOM 0 HA GLU A 106 9.829 1.339 6.320 1.00 42.02 H new ATOM 0 HB2 GLU A 106 8.255 3.342 4.664 1.00 4.32 H new ATOM 0 HB3 GLU A 106 9.314 3.683 6.019 1.00 4.32 H new ATOM 0 HG2 GLU A 106 10.214 2.577 3.339 1.00 35.33 H new ATOM 0 HG3 GLU A 106 10.304 4.261 3.814 1.00 35.33 H new ATOM 855 N CYS A 107 6.651 1.256 5.647 1.00 62.43 N ATOM 856 CA CYS A 107 5.313 1.119 6.234 1.00 35.13 C ATOM 857 C CYS A 107 4.861 -0.342 6.235 1.00 63.15 C ATOM 858 O CYS A 107 3.951 -0.726 6.970 1.00 33.54 O ATOM 859 CB CYS A 107 4.343 1.927 5.390 1.00 73.04 C ATOM 860 SG CYS A 107 4.916 3.632 5.043 1.00 13.14 S ATOM 0 H CYS A 107 6.680 1.168 4.631 1.00 62.43 H new ATOM 0 HA CYS A 107 5.337 1.475 7.264 1.00 35.13 H new ATOM 0 HB2 CYS A 107 4.178 1.409 4.445 1.00 73.04 H new ATOM 0 HB3 CYS A 107 3.381 1.973 5.901 1.00 73.04 H new ATOM 0 HG CYS A 107 4.969 3.819 3.758 1.00 13.14 H new ATOM 865 N ASN A 108 5.537 -1.132 5.421 1.00 51.23 N ATOM 866 CA ASN A 108 5.167 -2.513 5.113 1.00 50.00 C ATOM 867 C ASN A 108 3.745 -2.569 4.547 1.00 1.45 C ATOM 868 O ASN A 108 2.883 -3.287 5.054 1.00 64.21 O ATOM 869 CB ASN A 108 5.325 -3.424 6.326 1.00 74.34 C ATOM 870 CG ASN A 108 6.368 -4.476 6.187 1.00 70.23 C ATOM 871 OD1 ASN A 108 7.320 -4.231 5.405 1.00 74.51 O flip ATOM 872 ND2 ASN A 108 6.279 -5.539 6.791 1.00 4.33 N flip ATOM 0 H ASN A 108 6.383 -0.828 4.939 1.00 51.23 H new ATOM 0 HA ASN A 108 5.852 -2.885 4.351 1.00 50.00 H new ATOM 0 HB2 ASN A 108 5.562 -2.810 7.195 1.00 74.34 H new ATOM 0 HB3 ASN A 108 4.368 -3.906 6.528 1.00 74.34 H new ATOM 0 HD21 ASN A 108 5.492 -5.705 7.419 1.00 4.33 H new ATOM 0 HD22 ASN A 108 6.992 -6.258 6.666 1.00 4.33 H new ATOM 879 N PHE A 109 3.525 -1.846 3.455 1.00 53.34 N ATOM 880 CA PHE A 109 2.195 -1.776 2.864 1.00 51.45 C ATOM 881 C PHE A 109 2.303 -2.049 1.380 1.00 34.44 C ATOM 882 O PHE A 109 3.084 -1.390 0.667 1.00 53.25 O ATOM 883 CB PHE A 109 1.466 -0.416 3.158 1.00 5.32 C ATOM 884 CG PHE A 109 1.410 0.608 2.025 1.00 73.43 C ATOM 885 CD1 PHE A 109 0.354 0.595 1.132 1.00 15.15 C ATOM 886 CD2 PHE A 109 2.386 1.571 1.869 1.00 34.25 C ATOM 887 CE1 PHE A 109 0.271 1.525 0.109 1.00 24.14 C ATOM 888 CE2 PHE A 109 2.304 2.509 0.836 1.00 62.03 C ATOM 889 CZ PHE A 109 1.246 2.481 -0.035 1.00 12.31 C ATOM 0 H PHE A 109 4.240 -1.307 2.967 1.00 53.34 H new ATOM 0 HA PHE A 109 1.572 -2.540 3.329 1.00 51.45 H new ATOM 0 HB2 PHE A 109 0.443 -0.640 3.461 1.00 5.32 H new ATOM 0 HB3 PHE A 109 1.956 0.052 4.012 1.00 5.32 H new ATOM 0 HD1 PHE A 109 -0.419 -0.153 1.234 1.00 15.15 H new ATOM 0 HD2 PHE A 109 3.222 1.600 2.552 1.00 34.25 H new ATOM 0 HE1 PHE A 109 -0.563 1.498 -0.577 1.00 24.14 H new ATOM 0 HE2 PHE A 109 3.075 3.257 0.724 1.00 62.03 H new ATOM 0 HZ PHE A 109 1.180 3.208 -0.831 1.00 12.31 H new ATOM 899 N LEU A 110 1.583 -3.030 0.943 1.00 43.41 N ATOM 900 CA LEU A 110 1.588 -3.447 -0.434 1.00 3.23 C ATOM 901 C LEU A 110 0.473 -2.787 -1.121 1.00 74.11 C ATOM 902 O LEU A 110 -0.632 -2.840 -0.645 1.00 53.50 O ATOM 903 CB LEU A 110 1.429 -4.964 -0.554 1.00 74.12 C ATOM 904 CG LEU A 110 2.694 -5.766 -0.772 1.00 63.22 C ATOM 905 CD1 LEU A 110 2.375 -7.226 -0.624 1.00 53.24 C ATOM 906 CD2 LEU A 110 3.226 -5.507 -2.179 1.00 24.13 C ATOM 0 H LEU A 110 0.962 -3.578 1.538 1.00 43.41 H new ATOM 0 HA LEU A 110 2.541 -3.171 -0.885 1.00 3.23 H new ATOM 0 HB2 LEU A 110 0.948 -5.328 0.354 1.00 74.12 H new ATOM 0 HB3 LEU A 110 0.749 -5.170 -1.380 1.00 74.12 H new ATOM 0 HG LEU A 110 3.447 -5.472 -0.041 1.00 63.22 H new ATOM 0 HD11 LEU A 110 3.280 -7.814 -0.779 1.00 53.24 H new ATOM 0 HD12 LEU A 110 1.987 -7.414 0.377 1.00 53.24 H new ATOM 0 HD13 LEU A 110 1.626 -7.511 -1.363 1.00 53.24 H new ATOM 0 HD21 LEU A 110 4.137 -6.085 -2.336 1.00 24.13 H new ATOM 0 HD22 LEU A 110 2.477 -5.805 -2.912 1.00 24.13 H new ATOM 0 HD23 LEU A 110 3.445 -4.446 -2.296 1.00 24.13 H new ATOM 918 N THR A 111 0.742 -2.214 -2.229 1.00 62.11 N ATOM 919 CA THR A 111 -0.259 -1.513 -2.958 1.00 22.14 C ATOM 920 C THR A 111 -0.306 -2.022 -4.391 1.00 43.54 C ATOM 921 O THR A 111 0.647 -2.676 -4.862 1.00 31.34 O ATOM 922 CB THR A 111 -0.013 0.008 -2.863 1.00 44.35 C ATOM 923 OG1 THR A 111 -0.970 0.770 -3.623 1.00 31.02 O ATOM 924 CG2 THR A 111 1.416 0.364 -3.239 1.00 35.11 C ATOM 0 H THR A 111 1.664 -2.213 -2.665 1.00 62.11 H new ATOM 0 HA THR A 111 -1.241 -1.700 -2.524 1.00 22.14 H new ATOM 0 HB THR A 111 -0.158 0.285 -1.819 1.00 44.35 H new ATOM 0 HG1 THR A 111 -1.851 0.346 -3.559 1.00 31.02 H new ATOM 0 HG21 THR A 111 1.555 1.442 -3.161 1.00 35.11 H new ATOM 0 HG22 THR A 111 2.107 -0.140 -2.563 1.00 35.11 H new ATOM 0 HG23 THR A 111 1.613 0.046 -4.263 1.00 35.11 H new ATOM 932 N LYS A 112 -1.424 -1.787 -5.050 1.00 1.34 N ATOM 933 CA LYS A 112 -1.654 -2.279 -6.384 1.00 33.43 C ATOM 934 C LYS A 112 -0.763 -1.582 -7.422 1.00 12.32 C ATOM 935 O LYS A 112 -0.028 -2.246 -8.160 1.00 11.21 O ATOM 936 CB LYS A 112 -3.136 -2.129 -6.741 1.00 30.52 C ATOM 937 CG LYS A 112 -3.533 -2.737 -8.086 1.00 61.22 C ATOM 938 CD LYS A 112 -5.014 -2.530 -8.383 1.00 0.41 C ATOM 939 CE LYS A 112 -5.912 -3.243 -7.374 1.00 23.40 C ATOM 940 NZ LYS A 112 -7.343 -2.969 -7.627 1.00 10.31 N ATOM 0 H LYS A 112 -2.200 -1.246 -4.668 1.00 1.34 H new ATOM 0 HA LYS A 112 -1.385 -3.335 -6.404 1.00 33.43 H new ATOM 0 HB2 LYS A 112 -3.734 -2.594 -5.957 1.00 30.52 H new ATOM 0 HB3 LYS A 112 -3.389 -1.069 -6.748 1.00 30.52 H new ATOM 0 HG2 LYS A 112 -2.936 -2.287 -8.879 1.00 61.22 H new ATOM 0 HG3 LYS A 112 -3.308 -3.803 -8.084 1.00 61.22 H new ATOM 0 HD2 LYS A 112 -5.238 -1.463 -8.376 1.00 0.41 H new ATOM 0 HD3 LYS A 112 -5.236 -2.895 -9.386 1.00 0.41 H new ATOM 0 HE2 LYS A 112 -5.733 -4.317 -7.423 1.00 23.40 H new ATOM 0 HE3 LYS A 112 -5.653 -2.922 -6.365 1.00 23.40 H new ATOM 0 HZ1 LYS A 112 -7.819 -2.752 -6.728 1.00 10.31 H new ATOM 0 HZ2 LYS A 112 -7.432 -2.157 -8.271 1.00 10.31 H new ATOM 0 HZ3 LYS A 112 -7.785 -3.805 -8.060 1.00 10.31 H new ATOM 954 N ARG A 113 -0.803 -0.257 -7.468 1.00 61.13 N ATOM 955 CA ARG A 113 -0.035 0.455 -8.484 1.00 2.55 C ATOM 956 C ARG A 113 1.269 0.994 -7.894 1.00 62.34 C ATOM 957 O ARG A 113 1.298 1.434 -6.733 1.00 61.33 O ATOM 958 CB ARG A 113 -0.856 1.595 -9.173 1.00 4.31 C ATOM 959 CG ARG A 113 -0.864 2.978 -8.481 1.00 64.40 C ATOM 960 CD ARG A 113 -1.554 3.015 -7.149 1.00 42.42 C ATOM 961 NE ARG A 113 -2.981 2.731 -7.229 1.00 74.30 N ATOM 962 CZ ARG A 113 -3.654 2.138 -6.258 1.00 13.13 C ATOM 963 NH1 ARG A 113 -3.014 1.701 -5.215 1.00 13.42 N ATOM 964 NH2 ARG A 113 -4.960 1.988 -6.322 1.00 24.05 N ATOM 0 H ARG A 113 -1.342 0.334 -6.834 1.00 61.13 H new ATOM 0 HA ARG A 113 0.206 -0.266 -9.265 1.00 2.55 H new ATOM 0 HB2 ARG A 113 -0.470 1.725 -10.184 1.00 4.31 H new ATOM 0 HB3 ARG A 113 -1.888 1.258 -9.267 1.00 4.31 H new ATOM 0 HG2 ARG A 113 0.167 3.308 -8.349 1.00 64.40 H new ATOM 0 HG3 ARG A 113 -1.346 3.697 -9.144 1.00 64.40 H new ATOM 0 HD2 ARG A 113 -1.084 2.291 -6.484 1.00 42.42 H new ATOM 0 HD3 ARG A 113 -1.411 3.998 -6.701 1.00 42.42 H new ATOM 0 HE ARG A 113 -3.484 3.002 -8.074 1.00 74.30 H new ATOM 0 HH11 ARG A 113 -2.003 1.817 -5.152 1.00 13.42 H new ATOM 0 HH12 ARG A 113 -3.523 1.242 -4.460 1.00 13.42 H new ATOM 0 HH21 ARG A 113 -5.474 2.333 -7.133 1.00 24.05 H new ATOM 0 HH22 ARG A 113 -5.458 1.527 -5.561 1.00 24.05 H new ATOM 978 N TYR A 114 2.337 1.008 -8.697 1.00 33.45 N ATOM 979 CA TYR A 114 3.646 1.458 -8.209 1.00 34.21 C ATOM 980 C TYR A 114 3.702 2.973 -7.972 1.00 44.04 C ATOM 981 O TYR A 114 4.653 3.491 -7.360 1.00 71.00 O ATOM 982 CB TYR A 114 4.833 0.967 -9.085 1.00 45.10 C ATOM 983 CG TYR A 114 4.852 1.423 -10.542 1.00 42.34 C ATOM 984 CD1 TYR A 114 5.192 2.728 -10.891 1.00 1.11 C ATOM 985 CD2 TYR A 114 4.567 0.532 -11.566 1.00 55.14 C ATOM 986 CE1 TYR A 114 5.236 3.129 -12.209 1.00 60.14 C ATOM 987 CE2 TYR A 114 4.605 0.926 -12.888 1.00 15.13 C ATOM 988 CZ TYR A 114 4.941 2.224 -13.205 1.00 41.21 C ATOM 989 OH TYR A 114 4.987 2.620 -14.525 1.00 50.42 O ATOM 0 H TYR A 114 2.324 0.717 -9.675 1.00 33.45 H new ATOM 0 HA TYR A 114 3.767 0.980 -7.237 1.00 34.21 H new ATOM 0 HB2 TYR A 114 5.760 1.295 -8.615 1.00 45.10 H new ATOM 0 HB3 TYR A 114 4.837 -0.123 -9.071 1.00 45.10 H new ATOM 0 HD1 TYR A 114 5.426 3.440 -10.113 1.00 1.11 H new ATOM 0 HD2 TYR A 114 4.311 -0.489 -11.324 1.00 55.14 H new ATOM 0 HE1 TYR A 114 5.500 4.146 -12.459 1.00 60.14 H new ATOM 0 HE2 TYR A 114 4.372 0.220 -13.671 1.00 15.13 H new ATOM 0 HH TYR A 114 4.754 1.863 -15.102 1.00 50.42 H new ATOM 999 N ASP A 115 2.685 3.676 -8.452 1.00 44.03 N ATOM 1000 CA ASP A 115 2.586 5.122 -8.261 1.00 11.25 C ATOM 1001 C ASP A 115 2.516 5.444 -6.795 1.00 63.33 C ATOM 1002 O ASP A 115 3.173 6.340 -6.350 1.00 74.43 O ATOM 1003 CB ASP A 115 1.351 5.734 -8.957 1.00 71.21 C ATOM 1004 CG ASP A 115 1.241 5.418 -10.429 1.00 23.12 C ATOM 1005 OD1 ASP A 115 0.685 4.364 -10.763 1.00 14.45 O ATOM 1006 OD2 ASP A 115 1.680 6.224 -11.277 1.00 21.13 O ATOM 0 H ASP A 115 1.912 3.269 -8.979 1.00 44.03 H new ATOM 0 HA ASP A 115 3.478 5.556 -8.713 1.00 11.25 H new ATOM 0 HB2 ASP A 115 0.452 5.378 -8.454 1.00 71.21 H new ATOM 0 HB3 ASP A 115 1.378 6.816 -8.832 1.00 71.21 H new ATOM 1011 N ALA A 116 1.800 4.620 -6.030 1.00 55.45 N ATOM 1012 CA ALA A 116 1.555 4.883 -4.604 1.00 1.43 C ATOM 1013 C ALA A 116 2.856 4.981 -3.808 1.00 0.13 C ATOM 1014 O ALA A 116 2.929 5.679 -2.816 1.00 2.23 O ATOM 1015 CB ALA A 116 0.657 3.807 -4.032 1.00 33.15 C ATOM 0 H ALA A 116 1.375 3.758 -6.373 1.00 55.45 H new ATOM 0 HA ALA A 116 1.058 5.849 -4.521 1.00 1.43 H new ATOM 0 HB1 ALA A 116 0.478 4.006 -2.975 1.00 33.15 H new ATOM 0 HB2 ALA A 116 -0.293 3.804 -4.566 1.00 33.15 H new ATOM 0 HB3 ALA A 116 1.138 2.835 -4.142 1.00 33.15 H new ATOM 1021 N LEU A 117 3.863 4.288 -4.266 1.00 65.51 N ATOM 1022 CA LEU A 117 5.180 4.285 -3.629 1.00 24.33 C ATOM 1023 C LEU A 117 5.996 5.482 -4.076 1.00 63.14 C ATOM 1024 O LEU A 117 6.842 5.984 -3.361 1.00 31.13 O ATOM 1025 CB LEU A 117 5.964 3.032 -3.979 1.00 50.50 C ATOM 1026 CG LEU A 117 5.320 1.690 -3.662 1.00 21.12 C ATOM 1027 CD1 LEU A 117 4.735 1.662 -2.266 1.00 32.44 C ATOM 1028 CD2 LEU A 117 4.298 1.322 -4.702 1.00 11.30 C ATOM 0 H LEU A 117 3.806 3.700 -5.098 1.00 65.51 H new ATOM 0 HA LEU A 117 5.007 4.322 -2.553 1.00 24.33 H new ATOM 0 HB2 LEU A 117 6.180 3.058 -5.047 1.00 50.50 H new ATOM 0 HB3 LEU A 117 6.921 3.077 -3.459 1.00 50.50 H new ATOM 0 HG LEU A 117 6.105 0.934 -3.689 1.00 21.12 H new ATOM 0 HD11 LEU A 117 4.285 0.687 -2.080 1.00 32.44 H new ATOM 0 HD12 LEU A 117 5.525 1.843 -1.537 1.00 32.44 H new ATOM 0 HD13 LEU A 117 3.973 2.436 -2.175 1.00 32.44 H new ATOM 0 HD21 LEU A 117 3.854 0.359 -4.451 1.00 11.30 H new ATOM 0 HD22 LEU A 117 3.519 2.084 -4.732 1.00 11.30 H new ATOM 0 HD23 LEU A 117 4.779 1.256 -5.678 1.00 11.30 H new ATOM 1040 N SER A 118 5.730 5.905 -5.262 1.00 42.43 N ATOM 1041 CA SER A 118 6.434 7.003 -5.901 1.00 71.12 C ATOM 1042 C SER A 118 5.967 8.333 -5.337 1.00 43.11 C ATOM 1043 O SER A 118 6.749 9.263 -5.151 1.00 32.32 O ATOM 1044 CB SER A 118 6.098 6.946 -7.365 1.00 3.24 C ATOM 1045 OG SER A 118 6.736 5.856 -8.030 1.00 3.31 O ATOM 0 H SER A 118 4.999 5.497 -5.845 1.00 42.43 H new ATOM 0 HA SER A 118 7.507 6.916 -5.729 1.00 71.12 H new ATOM 0 HB2 SER A 118 5.018 6.858 -7.483 1.00 3.24 H new ATOM 0 HB3 SER A 118 6.395 7.881 -7.839 1.00 3.24 H new ATOM 0 HG SER A 118 6.195 5.046 -7.923 1.00 3.31 H new ATOM 1051 N GLU A 119 4.684 8.424 -5.139 1.00 24.23 N ATOM 1052 CA GLU A 119 4.079 9.587 -4.535 1.00 22.24 C ATOM 1053 C GLU A 119 4.228 9.506 -3.030 1.00 21.43 C ATOM 1054 O GLU A 119 4.033 10.469 -2.338 1.00 25.44 O ATOM 1055 CB GLU A 119 2.609 9.691 -4.851 1.00 54.12 C ATOM 1056 CG GLU A 119 2.195 9.041 -6.128 1.00 52.02 C ATOM 1057 CD GLU A 119 0.746 9.270 -6.454 1.00 61.33 C ATOM 1058 OE1 GLU A 119 -0.117 8.876 -5.669 1.00 54.11 O ATOM 1059 OE2 GLU A 119 0.432 9.808 -7.535 1.00 23.32 O ATOM 0 H GLU A 119 4.020 7.692 -5.392 1.00 24.23 H new ATOM 0 HA GLU A 119 4.586 10.463 -4.940 1.00 22.24 H new ATOM 0 HB2 GLU A 119 2.044 9.245 -4.033 1.00 54.12 H new ATOM 0 HB3 GLU A 119 2.334 10.745 -4.891 1.00 54.12 H new ATOM 0 HG2 GLU A 119 2.811 9.424 -6.942 1.00 52.02 H new ATOM 0 HG3 GLU A 119 2.383 7.969 -6.063 1.00 52.02 H new ATOM 1066 N HIS A 120 4.465 8.323 -2.546 1.00 10.35 N ATOM 1067 CA HIS A 120 4.568 8.046 -1.108 1.00 3.35 C ATOM 1068 C HIS A 120 5.483 9.056 -0.395 1.00 63.34 C ATOM 1069 O HIS A 120 5.066 9.714 0.465 1.00 64.44 O ATOM 1070 CB HIS A 120 5.066 6.645 -0.895 1.00 24.42 C ATOM 1071 CG HIS A 120 4.734 6.052 0.407 1.00 2.53 C ATOM 1072 ND1 HIS A 120 3.460 5.731 0.800 1.00 14.04 N ATOM 1073 CD2 HIS A 120 5.524 5.714 1.399 1.00 31.25 C ATOM 1074 CE1 HIS A 120 3.513 5.217 2.019 1.00 61.53 C ATOM 1075 NE2 HIS A 120 4.764 5.171 2.447 1.00 1.32 N ATOM 0 H HIS A 120 4.597 7.498 -3.131 1.00 10.35 H new ATOM 0 HA HIS A 120 3.574 8.147 -0.673 1.00 3.35 H new ATOM 0 HB2 HIS A 120 4.658 6.009 -1.680 1.00 24.42 H new ATOM 0 HB3 HIS A 120 6.150 6.640 -1.012 1.00 24.42 H new ATOM 0 HD1 HIS A 120 2.614 5.866 0.246 1.00 14.04 H new ATOM 0 HD2 HIS A 120 6.597 5.835 1.408 1.00 31.25 H new ATOM 0 HE1 HIS A 120 2.656 4.882 2.584 1.00 61.53 H new ATOM 1083 N ASN A 121 6.688 9.190 -0.818 1.00 44.24 N ATOM 1084 CA ASN A 121 7.648 10.182 -0.258 1.00 24.42 C ATOM 1085 C ASN A 121 7.249 11.621 -0.595 1.00 23.10 C ATOM 1086 O ASN A 121 7.775 12.583 -0.057 1.00 3.33 O ATOM 1087 CB ASN A 121 9.083 9.859 -0.660 1.00 71.23 C ATOM 1088 CG ASN A 121 9.310 9.738 -2.150 1.00 42.50 C ATOM 1089 OD1 ASN A 121 8.411 9.479 -2.916 1.00 73.40 O ATOM 1090 ND2 ASN A 121 10.523 9.814 -2.537 1.00 35.41 N ATOM 0 H ASN A 121 7.079 8.625 -1.572 1.00 44.24 H new ATOM 0 HA ASN A 121 7.602 10.103 0.828 1.00 24.42 H new ATOM 0 HB2 ASN A 121 9.739 10.636 -0.268 1.00 71.23 H new ATOM 0 HB3 ASN A 121 9.377 8.924 -0.184 1.00 71.23 H new ATOM 0 HD21 ASN A 121 10.757 9.654 -3.517 1.00 35.41 H new ATOM 0 HD22 ASN A 121 11.259 10.034 -1.867 1.00 35.41 H new ATOM 1097 N LEU A 122 6.393 11.755 -1.543 1.00 45.33 N ATOM 1098 CA LEU A 122 5.869 13.034 -1.932 1.00 0.41 C ATOM 1099 C LEU A 122 4.813 13.505 -0.908 1.00 45.43 C ATOM 1100 O LEU A 122 4.924 14.595 -0.353 1.00 4.34 O ATOM 1101 CB LEU A 122 5.308 12.925 -3.372 1.00 11.45 C ATOM 1102 CG LEU A 122 4.212 13.896 -3.810 1.00 45.42 C ATOM 1103 CD1 LEU A 122 4.673 15.348 -3.745 1.00 52.01 C ATOM 1104 CD2 LEU A 122 3.764 13.553 -5.213 1.00 13.25 C ATOM 0 H LEU A 122 6.025 10.973 -2.085 1.00 45.33 H new ATOM 0 HA LEU A 122 6.654 13.790 -1.937 1.00 0.41 H new ATOM 0 HB2 LEU A 122 6.144 13.038 -4.062 1.00 11.45 H new ATOM 0 HB3 LEU A 122 4.924 11.913 -3.501 1.00 11.45 H new ATOM 0 HG LEU A 122 3.376 13.792 -3.118 1.00 45.42 H new ATOM 0 HD11 LEU A 122 3.862 16.002 -4.065 1.00 52.01 H new ATOM 0 HD12 LEU A 122 4.956 15.595 -2.722 1.00 52.01 H new ATOM 0 HD13 LEU A 122 5.532 15.487 -4.402 1.00 52.01 H new ATOM 0 HD21 LEU A 122 2.982 14.246 -5.525 1.00 13.25 H new ATOM 0 HD22 LEU A 122 4.611 13.631 -5.895 1.00 13.25 H new ATOM 0 HD23 LEU A 122 3.375 12.535 -5.232 1.00 13.25 H new ATOM 1116 N LYS A 123 3.839 12.660 -0.645 1.00 65.45 N ATOM 1117 CA LYS A 123 2.719 13.008 0.228 1.00 64.43 C ATOM 1118 C LYS A 123 2.766 12.337 1.602 1.00 74.42 C ATOM 1119 O LYS A 123 2.495 12.960 2.632 1.00 1.23 O ATOM 1120 CB LYS A 123 1.366 12.788 -0.496 1.00 42.30 C ATOM 1121 CG LYS A 123 1.402 11.798 -1.653 1.00 41.43 C ATOM 1122 CD LYS A 123 0.129 11.831 -2.506 1.00 20.25 C ATOM 1123 CE LYS A 123 -1.142 11.521 -1.711 1.00 23.24 C ATOM 1124 NZ LYS A 123 -2.346 11.539 -2.567 1.00 12.55 N ATOM 0 H LYS A 123 3.794 11.714 -1.025 1.00 65.45 H new ATOM 0 HA LYS A 123 2.818 14.072 0.444 1.00 64.43 H new ATOM 0 HB2 LYS A 123 0.634 12.443 0.234 1.00 42.30 H new ATOM 0 HB3 LYS A 123 1.013 13.748 -0.872 1.00 42.30 H new ATOM 0 HG2 LYS A 123 2.263 12.017 -2.285 1.00 41.43 H new ATOM 0 HG3 LYS A 123 1.543 10.792 -1.259 1.00 41.43 H new ATOM 0 HD2 LYS A 123 0.032 12.816 -2.963 1.00 20.25 H new ATOM 0 HD3 LYS A 123 0.226 11.111 -3.318 1.00 20.25 H new ATOM 0 HE2 LYS A 123 -1.046 10.543 -1.240 1.00 23.24 H new ATOM 0 HE3 LYS A 123 -1.256 12.251 -0.909 1.00 23.24 H new ATOM 0 HZ1 LYS A 123 -3.121 11.040 -2.086 1.00 12.55 H new ATOM 0 HZ2 LYS A 123 -2.628 12.523 -2.749 1.00 12.55 H new ATOM 0 HZ3 LYS A 123 -2.137 11.066 -3.470 1.00 12.55 H new ATOM 1138 N TYR A 124 3.127 11.095 1.602 1.00 1.50 N ATOM 1139 CA TYR A 124 3.139 10.257 2.805 1.00 41.22 C ATOM 1140 C TYR A 124 4.413 10.471 3.619 1.00 12.42 C ATOM 1141 O TYR A 124 4.340 10.744 4.815 1.00 42.43 O ATOM 1142 CB TYR A 124 3.021 8.784 2.429 1.00 73.32 C ATOM 1143 CG TYR A 124 1.732 8.382 1.748 1.00 44.12 C ATOM 1144 CD1 TYR A 124 1.362 8.938 0.539 1.00 15.51 C ATOM 1145 CD2 TYR A 124 0.908 7.415 2.299 1.00 74.43 C ATOM 1146 CE1 TYR A 124 0.222 8.565 -0.094 1.00 24.03 C ATOM 1147 CE2 TYR A 124 -0.244 7.033 1.661 1.00 4.11 C ATOM 1148 CZ TYR A 124 -0.579 7.612 0.468 1.00 32.30 C ATOM 1149 OH TYR A 124 -1.733 7.259 -0.147 1.00 63.12 O ATOM 0 H TYR A 124 3.431 10.605 0.761 1.00 1.50 H new ATOM 0 HA TYR A 124 2.284 10.547 3.415 1.00 41.22 H new ATOM 0 HB2 TYR A 124 3.852 8.528 1.772 1.00 73.32 H new ATOM 0 HB3 TYR A 124 3.134 8.187 3.334 1.00 73.32 H new ATOM 0 HD1 TYR A 124 1.995 9.687 0.087 1.00 15.51 H new ATOM 0 HD2 TYR A 124 1.175 6.957 3.240 1.00 74.43 H new ATOM 0 HE1 TYR A 124 -0.050 9.018 -1.036 1.00 24.03 H new ATOM 0 HE2 TYR A 124 -0.883 6.280 2.098 1.00 4.11 H new ATOM 0 HH TYR A 124 -2.397 7.001 0.526 1.00 63.12 H new ATOM 1159 N HIS A 125 5.579 10.334 2.975 1.00 40.13 N ATOM 1160 CA HIS A 125 6.882 10.575 3.654 1.00 32.41 C ATOM 1161 C HIS A 125 7.607 11.796 3.045 1.00 13.11 C ATOM 1162 O HIS A 125 8.587 11.626 2.353 1.00 4.53 O ATOM 1163 CB HIS A 125 7.843 9.360 3.530 1.00 41.31 C ATOM 1164 CG HIS A 125 7.445 8.060 4.166 1.00 63.13 C ATOM 1165 ND1 HIS A 125 8.214 7.403 5.100 1.00 71.10 N ATOM 1166 CD2 HIS A 125 6.471 7.219 3.844 1.00 12.24 C ATOM 1167 CE1 HIS A 125 7.709 6.196 5.298 1.00 14.21 C ATOM 1168 NE2 HIS A 125 6.623 6.004 4.540 1.00 34.35 N ATOM 0 H HIS A 125 5.659 10.061 1.995 1.00 40.13 H new ATOM 0 HA HIS A 125 6.642 10.748 4.703 1.00 32.41 H new ATOM 0 HB2 HIS A 125 8.005 9.173 2.468 1.00 41.31 H new ATOM 0 HB3 HIS A 125 8.804 9.654 3.952 1.00 41.31 H new ATOM 0 HD1 HIS A 125 9.039 7.784 5.564 1.00 71.10 H new ATOM 0 HD2 HIS A 125 5.675 7.435 3.147 1.00 12.24 H new ATOM 0 HE1 HIS A 125 8.118 5.465 5.979 1.00 14.21 H new ATOM 0 HE2 HIS A 125 6.039 5.170 4.480 1.00 34.35 H new ATOM 1176 N PRO A 126 7.123 13.021 3.271 1.00 3.44 N ATOM 1177 CA PRO A 126 7.714 14.240 2.689 1.00 11.42 C ATOM 1178 C PRO A 126 9.061 14.637 3.321 1.00 70.20 C ATOM 1179 O PRO A 126 9.360 14.300 4.484 1.00 23.10 O ATOM 1180 CB PRO A 126 6.655 15.299 2.979 1.00 42.24 C ATOM 1181 CG PRO A 126 6.007 14.811 4.223 1.00 63.03 C ATOM 1182 CD PRO A 126 5.975 13.329 4.097 1.00 74.55 C ATOM 0 HA PRO A 126 7.948 14.107 1.633 1.00 11.42 H new ATOM 0 HB2 PRO A 126 7.100 16.284 3.118 1.00 42.24 H new ATOM 0 HB3 PRO A 126 5.940 15.385 2.161 1.00 42.24 H new ATOM 0 HG2 PRO A 126 6.569 15.118 5.105 1.00 63.03 H new ATOM 0 HG3 PRO A 126 5.001 15.218 4.328 1.00 63.03 H new ATOM 0 HD2 PRO A 126 6.043 12.844 5.071 1.00 74.55 H new ATOM 0 HD3 PRO A 126 5.048 12.988 3.635 1.00 74.55 H new ATOM 1190 N GLY A 127 9.853 15.352 2.549 1.00 60.05 N ATOM 1191 CA GLY A 127 11.161 15.803 2.967 1.00 70.32 C ATOM 1192 C GLY A 127 12.118 15.832 1.794 1.00 11.52 C ATOM 1193 O GLY A 127 12.828 16.814 1.571 1.00 24.24 O ATOM 0 H GLY A 127 9.602 15.639 1.603 1.00 60.05 H new ATOM 0 HA2 GLY A 127 11.085 16.798 3.405 1.00 70.32 H new ATOM 0 HA3 GLY A 127 11.548 15.142 3.742 1.00 70.32 H new ATOM 1197 N GLU A 128 12.094 14.772 1.020 1.00 45.53 N ATOM 1198 CA GLU A 128 12.944 14.605 -0.150 1.00 13.11 C ATOM 1199 C GLU A 128 12.342 13.547 -1.035 1.00 52.24 C ATOM 1200 O GLU A 128 11.323 12.957 -0.676 1.00 61.24 O ATOM 1201 CB GLU A 128 14.368 14.203 0.232 1.00 71.24 C ATOM 1202 CG GLU A 128 14.442 12.976 1.104 1.00 34.22 C ATOM 1203 CD GLU A 128 15.775 12.326 1.043 1.00 11.43 C ATOM 1204 OE1 GLU A 128 16.776 12.934 1.444 1.00 52.00 O ATOM 1205 OE2 GLU A 128 15.854 11.208 0.524 1.00 63.11 O ATOM 0 H GLU A 128 11.472 13.981 1.185 1.00 45.53 H new ATOM 0 HA GLU A 128 13.002 15.560 -0.672 1.00 13.11 H new ATOM 0 HB2 GLU A 128 14.942 14.026 -0.678 1.00 71.24 H new ATOM 0 HB3 GLU A 128 14.843 15.035 0.751 1.00 71.24 H new ATOM 0 HG2 GLU A 128 14.220 13.251 2.135 1.00 34.22 H new ATOM 0 HG3 GLU A 128 13.678 12.264 0.793 1.00 34.22 H new ATOM 1212 N GLU A 129 12.917 13.318 -2.181 1.00 34.44 N ATOM 1213 CA GLU A 129 12.423 12.287 -3.046 1.00 61.53 C ATOM 1214 C GLU A 129 13.562 11.380 -3.458 1.00 72.44 C ATOM 1215 O GLU A 129 14.273 11.662 -4.422 1.00 31.42 O ATOM 1216 CB GLU A 129 11.780 12.909 -4.270 1.00 43.13 C ATOM 1217 CG GLU A 129 11.124 11.911 -5.208 1.00 61.01 C ATOM 1218 CD GLU A 129 10.473 12.567 -6.398 1.00 3.14 C ATOM 1219 OE1 GLU A 129 11.171 12.849 -7.386 1.00 2.41 O ATOM 1220 OE2 GLU A 129 9.250 12.833 -6.362 1.00 12.50 O ATOM 0 H GLU A 129 13.725 13.829 -2.536 1.00 34.44 H new ATOM 0 HA GLU A 129 11.674 11.698 -2.516 1.00 61.53 H new ATOM 0 HB2 GLU A 129 11.031 13.631 -3.945 1.00 43.13 H new ATOM 0 HB3 GLU A 129 12.539 13.464 -4.822 1.00 43.13 H new ATOM 0 HG2 GLU A 129 11.873 11.200 -5.556 1.00 61.01 H new ATOM 0 HG3 GLU A 129 10.375 11.341 -4.658 1.00 61.01 H new ATOM 1227 N ASN A 130 13.755 10.304 -2.699 1.00 45.10 N ATOM 1228 CA ASN A 130 14.834 9.338 -2.951 1.00 21.30 C ATOM 1229 C ASN A 130 14.440 7.990 -2.403 1.00 61.14 C ATOM 1230 O ASN A 130 14.606 7.721 -1.218 1.00 13.15 O ATOM 1231 CB ASN A 130 16.156 9.775 -2.270 1.00 31.44 C ATOM 1232 CG ASN A 130 16.665 11.101 -2.755 1.00 62.14 C ATOM 1233 OD1 ASN A 130 16.215 12.151 -2.113 1.00 3.32 O flip ATOM 1234 ND2 ASN A 130 17.463 11.180 -3.691 1.00 61.42 N flip ATOM 0 H ASN A 130 13.173 10.073 -1.894 1.00 45.10 H new ATOM 0 HA ASN A 130 14.992 9.288 -4.028 1.00 21.30 H new ATOM 0 HB2 ASN A 130 16.002 9.825 -1.192 1.00 31.44 H new ATOM 0 HB3 ASN A 130 16.917 9.015 -2.448 1.00 31.44 H new ATOM 0 HD21 ASN A 130 17.785 10.333 -4.160 1.00 61.42 H new ATOM 0 HD22 ASN A 130 17.802 12.092 -3.997 1.00 61.42 H new ATOM 1241 N PHE A 131 13.886 7.175 -3.233 1.00 14.22 N ATOM 1242 CA PHE A 131 13.497 5.834 -2.862 1.00 70.25 C ATOM 1243 C PHE A 131 14.461 4.843 -3.483 1.00 1.30 C ATOM 1244 O PHE A 131 15.155 5.173 -4.448 1.00 23.21 O ATOM 1245 CB PHE A 131 12.066 5.522 -3.324 1.00 24.21 C ATOM 1246 CG PHE A 131 11.013 5.507 -2.243 1.00 73.24 C ATOM 1247 CD1 PHE A 131 10.908 4.435 -1.385 1.00 34.21 C ATOM 1248 CD2 PHE A 131 10.088 6.513 -2.139 1.00 70.03 C ATOM 1249 CE1 PHE A 131 9.902 4.369 -0.446 1.00 1.41 C ATOM 1250 CE2 PHE A 131 9.085 6.459 -1.183 1.00 23.31 C ATOM 1251 CZ PHE A 131 8.994 5.383 -0.345 1.00 74.33 C ATOM 0 H PHE A 131 13.682 7.412 -4.204 1.00 14.22 H new ATOM 0 HA PHE A 131 13.527 5.754 -1.775 1.00 70.25 H new ATOM 0 HB2 PHE A 131 11.778 6.259 -4.074 1.00 24.21 H new ATOM 0 HB3 PHE A 131 12.068 4.549 -3.816 1.00 24.21 H new ATOM 0 HD1 PHE A 131 11.627 3.632 -1.449 1.00 34.21 H new ATOM 0 HD2 PHE A 131 10.141 7.358 -2.810 1.00 70.03 H new ATOM 0 HE1 PHE A 131 9.832 3.514 0.211 1.00 1.41 H new ATOM 0 HE2 PHE A 131 8.375 7.268 -1.100 1.00 23.31 H new ATOM 0 HZ PHE A 131 8.207 5.335 0.394 1.00 74.33 H new ATOM 1261 N LYS A 132 14.567 3.688 -2.894 1.00 21.24 N ATOM 1262 CA LYS A 132 15.363 2.612 -3.426 1.00 41.03 C ATOM 1263 C LYS A 132 14.424 1.407 -3.595 1.00 51.42 C ATOM 1264 O LYS A 132 13.366 1.390 -2.986 1.00 65.42 O ATOM 1265 CB LYS A 132 16.476 2.251 -2.427 1.00 63.51 C ATOM 1266 CG LYS A 132 16.124 1.094 -1.503 1.00 54.52 C ATOM 1267 CD LYS A 132 17.244 0.723 -0.593 1.00 42.22 C ATOM 1268 CE LYS A 132 17.000 -0.661 -0.037 1.00 21.42 C ATOM 1269 NZ LYS A 132 18.055 -1.096 0.910 1.00 41.43 N ATOM 0 H LYS A 132 14.098 3.460 -2.018 1.00 21.24 H new ATOM 0 HA LYS A 132 15.822 2.895 -4.373 1.00 41.03 H new ATOM 0 HB2 LYS A 132 17.380 1.999 -2.981 1.00 63.51 H new ATOM 0 HB3 LYS A 132 16.707 3.128 -1.823 1.00 63.51 H new ATOM 0 HG2 LYS A 132 15.251 1.363 -0.908 1.00 54.52 H new ATOM 0 HG3 LYS A 132 15.846 0.227 -2.103 1.00 54.52 H new ATOM 0 HD2 LYS A 132 18.190 0.748 -1.133 1.00 42.22 H new ATOM 0 HD3 LYS A 132 17.322 1.445 0.220 1.00 42.22 H new ATOM 0 HE2 LYS A 132 16.035 -0.679 0.469 1.00 21.42 H new ATOM 0 HE3 LYS A 132 16.942 -1.373 -0.860 1.00 21.42 H new ATOM 0 HZ1 LYS A 132 17.836 -2.051 1.259 1.00 41.43 H new ATOM 0 HZ2 LYS A 132 18.974 -1.107 0.424 1.00 41.43 H new ATOM 0 HZ3 LYS A 132 18.096 -0.435 1.712 1.00 41.43 H new ATOM 1283 N LEU A 133 14.816 0.400 -4.341 1.00 71.34 N ATOM 1284 CA LEU A 133 13.981 -0.760 -4.493 1.00 45.24 C ATOM 1285 C LEU A 133 14.795 -1.990 -4.197 1.00 1.42 C ATOM 1286 O LEU A 133 15.951 -2.097 -4.608 1.00 61.33 O ATOM 1287 CB LEU A 133 13.311 -0.876 -5.886 1.00 34.01 C ATOM 1288 CG LEU A 133 14.235 -0.993 -7.102 1.00 4.33 C ATOM 1289 CD1 LEU A 133 13.481 -1.594 -8.277 1.00 20.32 C ATOM 1290 CD2 LEU A 133 14.762 0.366 -7.507 1.00 62.31 C ATOM 0 H LEU A 133 15.701 0.364 -4.847 1.00 71.34 H new ATOM 0 HA LEU A 133 13.160 -0.658 -3.783 1.00 45.24 H new ATOM 0 HB2 LEU A 133 12.657 -1.748 -5.874 1.00 34.01 H new ATOM 0 HB3 LEU A 133 12.675 -0.002 -6.028 1.00 34.01 H new ATOM 0 HG LEU A 133 15.070 -1.637 -6.827 1.00 4.33 H new ATOM 0 HD11 LEU A 133 14.148 -1.672 -9.136 1.00 20.32 H new ATOM 0 HD12 LEU A 133 13.118 -2.586 -8.008 1.00 20.32 H new ATOM 0 HD13 LEU A 133 12.635 -0.955 -8.532 1.00 20.32 H new ATOM 0 HD21 LEU A 133 15.416 0.259 -8.372 1.00 62.31 H new ATOM 0 HD22 LEU A 133 13.927 1.019 -7.761 1.00 62.31 H new ATOM 0 HD23 LEU A 133 15.323 0.800 -6.679 1.00 62.31 H new ATOM 1302 N THR A 134 14.227 -2.865 -3.453 1.00 51.14 N ATOM 1303 CA THR A 134 14.852 -4.083 -3.055 1.00 44.33 C ATOM 1304 C THR A 134 13.791 -5.185 -3.123 1.00 24.23 C ATOM 1305 O THR A 134 12.728 -5.040 -2.548 1.00 72.40 O ATOM 1306 CB THR A 134 15.438 -3.913 -1.605 1.00 33.31 C ATOM 1307 OG1 THR A 134 16.033 -5.127 -1.116 1.00 43.24 O ATOM 1308 CG2 THR A 134 14.387 -3.391 -0.611 1.00 71.22 C ATOM 0 H THR A 134 13.281 -2.755 -3.088 1.00 51.14 H new ATOM 0 HA THR A 134 15.682 -4.349 -3.709 1.00 44.33 H new ATOM 0 HB THR A 134 16.224 -3.162 -1.684 1.00 33.31 H new ATOM 0 HG1 THR A 134 16.386 -4.978 -0.214 1.00 43.24 H new ATOM 0 HG21 THR A 134 14.838 -3.290 0.376 1.00 71.22 H new ATOM 0 HG22 THR A 134 14.022 -2.420 -0.944 1.00 71.22 H new ATOM 0 HG23 THR A 134 13.555 -4.093 -0.559 1.00 71.22 H new ATOM 1316 N MET A 135 14.013 -6.264 -3.849 1.00 51.44 N ATOM 1317 CA MET A 135 12.935 -7.218 -3.893 1.00 54.42 C ATOM 1318 C MET A 135 13.210 -8.288 -2.898 1.00 1.33 C ATOM 1319 O MET A 135 14.051 -9.164 -3.111 1.00 21.43 O ATOM 1320 CB MET A 135 12.859 -7.819 -5.297 1.00 2.34 C ATOM 1321 CG MET A 135 11.729 -8.808 -5.542 1.00 44.03 C ATOM 1322 SD MET A 135 11.775 -9.450 -7.232 1.00 2.33 S ATOM 1323 CE MET A 135 10.346 -10.525 -7.247 1.00 53.34 C ATOM 0 H MET A 135 14.858 -6.488 -4.375 1.00 51.44 H new ATOM 0 HA MET A 135 11.987 -6.735 -3.659 1.00 54.42 H new ATOM 0 HB2 MET A 135 12.763 -7.004 -6.014 1.00 2.34 H new ATOM 0 HB3 MET A 135 13.804 -8.319 -5.508 1.00 2.34 H new ATOM 0 HG2 MET A 135 11.805 -9.634 -4.835 1.00 44.03 H new ATOM 0 HG3 MET A 135 10.771 -8.321 -5.361 1.00 44.03 H new ATOM 0 HE1 MET A 135 10.060 -10.735 -8.277 1.00 53.34 H new ATOM 0 HE2 MET A 135 10.588 -11.459 -6.740 1.00 53.34 H new ATOM 0 HE3 MET A 135 9.518 -10.037 -6.733 1.00 53.34 H new ATOM 1333 N VAL A 136 12.502 -8.211 -1.820 1.00 41.44 N ATOM 1334 CA VAL A 136 12.529 -9.174 -0.776 1.00 21.14 C ATOM 1335 C VAL A 136 11.182 -9.214 -0.111 1.00 53.15 C ATOM 1336 O VAL A 136 10.825 -8.287 0.521 1.00 24.32 O ATOM 1337 CB VAL A 136 13.660 -8.883 0.287 1.00 45.34 C ATOM 1338 CG1 VAL A 136 15.003 -9.428 -0.181 1.00 61.23 C ATOM 1339 CG2 VAL A 136 13.801 -7.377 0.533 1.00 24.23 C ATOM 0 H VAL A 136 11.861 -7.439 -1.637 1.00 41.44 H new ATOM 0 HA VAL A 136 12.760 -10.143 -1.218 1.00 21.14 H new ATOM 0 HB VAL A 136 13.369 -9.380 1.212 1.00 45.34 H new ATOM 0 HG11 VAL A 136 15.764 -9.214 0.569 1.00 61.23 H new ATOM 0 HG12 VAL A 136 14.928 -10.506 -0.325 1.00 61.23 H new ATOM 0 HG13 VAL A 136 15.279 -8.955 -1.123 1.00 61.23 H new ATOM 0 HG21 VAL A 136 14.586 -7.200 1.269 1.00 24.23 H new ATOM 0 HG22 VAL A 136 14.060 -6.878 -0.401 1.00 24.23 H new ATOM 0 HG23 VAL A 136 12.857 -6.979 0.907 1.00 24.23 H new ATOM 1349 N LYS A 137 10.427 -10.212 -0.252 1.00 53.23 N ATOM 1350 CA LYS A 137 9.240 -10.285 0.549 1.00 51.43 C ATOM 1351 C LYS A 137 9.130 -11.681 0.995 1.00 52.13 C ATOM 1352 O LYS A 137 9.110 -12.594 0.173 1.00 53.54 O ATOM 1353 CB LYS A 137 8.019 -9.773 -0.172 1.00 63.53 C ATOM 1354 CG LYS A 137 6.860 -9.355 0.730 1.00 72.14 C ATOM 1355 CD LYS A 137 7.307 -8.215 1.643 1.00 32.42 C ATOM 1356 CE LYS A 137 6.170 -7.316 2.138 1.00 63.21 C ATOM 1357 NZ LYS A 137 6.649 -6.471 3.237 1.00 71.43 N ATOM 0 H LYS A 137 10.582 -10.989 -0.894 1.00 53.23 H new ATOM 0 HA LYS A 137 9.307 -9.625 1.414 1.00 51.43 H new ATOM 0 HB2 LYS A 137 8.309 -8.919 -0.783 1.00 63.53 H new ATOM 0 HB3 LYS A 137 7.667 -10.548 -0.853 1.00 63.53 H new ATOM 0 HG2 LYS A 137 6.011 -9.038 0.125 1.00 72.14 H new ATOM 0 HG3 LYS A 137 6.526 -10.203 1.327 1.00 72.14 H new ATOM 0 HD2 LYS A 137 7.821 -8.638 2.506 1.00 32.42 H new ATOM 0 HD3 LYS A 137 8.032 -7.601 1.109 1.00 32.42 H new ATOM 0 HE2 LYS A 137 5.804 -6.694 1.321 1.00 63.21 H new ATOM 0 HE3 LYS A 137 5.332 -7.926 2.475 1.00 63.21 H new ATOM 0 HZ1 LYS A 137 5.870 -5.875 3.581 1.00 71.43 H new ATOM 0 HZ2 LYS A 137 6.994 -7.072 4.012 1.00 71.43 H new ATOM 0 HZ3 LYS A 137 7.424 -5.866 2.897 1.00 71.43 H new ATOM 1371 N ARG A 138 9.109 -11.875 2.259 1.00 43.32 N ATOM 1372 CA ARG A 138 9.253 -13.187 2.779 1.00 0.42 C ATOM 1373 C ARG A 138 7.997 -13.624 3.473 1.00 11.00 C ATOM 1374 O ARG A 138 7.295 -12.797 4.042 1.00 23.54 O ATOM 1375 CB ARG A 138 10.483 -13.260 3.721 1.00 63.24 C ATOM 1376 CG ARG A 138 11.839 -12.882 3.063 1.00 71.12 C ATOM 1377 CD ARG A 138 12.012 -11.358 2.829 1.00 40.42 C ATOM 1378 NE ARG A 138 12.031 -10.567 4.083 1.00 31.31 N ATOM 1379 CZ ARG A 138 11.774 -9.231 4.205 1.00 4.05 C ATOM 1380 NH1 ARG A 138 11.432 -8.498 3.148 1.00 60.02 N ATOM 1381 NH2 ARG A 138 11.858 -8.651 5.396 1.00 52.14 N ATOM 0 H ARG A 138 8.993 -11.141 2.958 1.00 43.32 H new ATOM 0 HA ARG A 138 9.424 -13.876 1.952 1.00 0.42 H new ATOM 0 HB2 ARG A 138 10.311 -12.598 4.570 1.00 63.24 H new ATOM 0 HB3 ARG A 138 10.559 -14.273 4.117 1.00 63.24 H new ATOM 0 HG2 ARG A 138 12.652 -13.239 3.695 1.00 71.12 H new ATOM 0 HG3 ARG A 138 11.927 -13.400 2.108 1.00 71.12 H new ATOM 0 HD2 ARG A 138 12.941 -11.185 2.285 1.00 40.42 H new ATOM 0 HD3 ARG A 138 11.200 -11.001 2.195 1.00 40.42 H new ATOM 0 HE ARG A 138 12.259 -11.071 4.940 1.00 31.31 H new ATOM 0 HH11 ARG A 138 11.358 -8.933 2.228 1.00 60.02 H new ATOM 0 HH12 ARG A 138 11.244 -7.502 3.258 1.00 60.02 H new ATOM 0 HH21 ARG A 138 12.114 -9.203 6.215 1.00 52.14 H new ATOM 0 HH22 ARG A 138 11.667 -7.654 5.492 1.00 52.14 H new ATOM 1395 N ASN A 139 7.694 -14.917 3.356 1.00 22.10 N ATOM 1396 CA ASN A 139 6.537 -15.587 4.001 1.00 61.11 C ATOM 1397 C ASN A 139 5.210 -15.265 3.314 1.00 24.25 C ATOM 1398 O ASN A 139 4.143 -15.687 3.777 1.00 21.11 O ATOM 1399 CB ASN A 139 6.429 -15.302 5.529 1.00 44.32 C ATOM 1400 CG ASN A 139 7.672 -15.680 6.317 1.00 74.43 C ATOM 1401 OD1 ASN A 139 7.842 -16.836 6.728 1.00 4.22 O ATOM 1402 ND2 ASN A 139 8.517 -14.709 6.580 1.00 11.32 N ATOM 0 H ASN A 139 8.257 -15.557 2.795 1.00 22.10 H new ATOM 0 HA ASN A 139 6.736 -16.652 3.879 1.00 61.11 H new ATOM 0 HB2 ASN A 139 6.226 -14.241 5.677 1.00 44.32 H new ATOM 0 HB3 ASN A 139 5.576 -15.849 5.931 1.00 44.32 H new ATOM 0 HD21 ASN A 139 9.348 -14.894 7.141 1.00 11.32 H new ATOM 0 HD22 ASN A 139 8.342 -13.770 6.223 1.00 11.32 H new ATOM 1409 N ASN A 140 5.265 -14.585 2.191 1.00 22.31 N ATOM 1410 CA ASN A 140 4.045 -14.189 1.489 1.00 1.11 C ATOM 1411 C ASN A 140 4.221 -14.446 0.010 1.00 3.34 C ATOM 1412 O ASN A 140 3.793 -15.462 -0.504 1.00 43.05 O ATOM 1413 CB ASN A 140 3.700 -12.694 1.713 1.00 53.44 C ATOM 1414 CG ASN A 140 3.585 -12.274 3.166 1.00 0.23 C ATOM 1415 OD1 ASN A 140 2.527 -12.366 3.781 1.00 13.41 O ATOM 1416 ND2 ASN A 140 4.667 -11.779 3.716 1.00 10.33 N ATOM 0 H ASN A 140 6.131 -14.292 1.739 1.00 22.31 H new ATOM 0 HA ASN A 140 3.222 -14.781 1.889 1.00 1.11 H new ATOM 0 HB2 ASN A 140 4.466 -12.084 1.234 1.00 53.44 H new ATOM 0 HB3 ASN A 140 2.757 -12.475 1.211 1.00 53.44 H new ATOM 0 HD21 ASN A 140 4.645 -11.456 4.683 1.00 10.33 H new ATOM 0 HD22 ASN A 140 5.530 -11.717 3.177 1.00 10.33 H new ATOM 1423 N GLN A 141 4.917 -13.548 -0.639 1.00 23.30 N ATOM 1424 CA GLN A 141 5.237 -13.625 -2.045 1.00 64.11 C ATOM 1425 C GLN A 141 6.441 -12.772 -2.207 1.00 44.24 C ATOM 1426 O GLN A 141 6.715 -12.007 -1.316 1.00 54.03 O ATOM 1427 CB GLN A 141 4.133 -13.037 -2.953 1.00 1.34 C ATOM 1428 CG GLN A 141 4.010 -11.503 -2.964 1.00 52.32 C ATOM 1429 CD GLN A 141 3.213 -10.879 -1.851 1.00 63.24 C ATOM 1430 OE1 GLN A 141 2.012 -10.648 -2.001 1.00 70.24 O ATOM 1431 NE2 GLN A 141 3.866 -10.553 -0.768 1.00 34.44 N ATOM 0 H GLN A 141 5.291 -12.713 -0.189 1.00 23.30 H new ATOM 0 HA GLN A 141 5.366 -14.669 -2.332 1.00 64.11 H new ATOM 0 HB2 GLN A 141 4.313 -13.374 -3.974 1.00 1.34 H new ATOM 0 HB3 GLN A 141 3.175 -13.456 -2.643 1.00 1.34 H new ATOM 0 HG2 GLN A 141 5.015 -11.081 -2.940 1.00 52.32 H new ATOM 0 HG3 GLN A 141 3.562 -11.205 -3.912 1.00 52.32 H new ATOM 0 HE21 GLN A 141 4.861 -10.765 -0.689 1.00 34.44 H new ATOM 0 HE22 GLN A 141 3.381 -10.087 -0.001 1.00 34.44 H new ATOM 1440 N THR A 142 7.117 -12.850 -3.309 1.00 12.23 N ATOM 1441 CA THR A 142 8.243 -11.986 -3.546 1.00 43.25 C ATOM 1442 C THR A 142 7.841 -10.787 -4.397 1.00 34.53 C ATOM 1443 O THR A 142 7.498 -10.916 -5.557 1.00 41.51 O ATOM 1444 CB THR A 142 9.431 -12.729 -4.151 1.00 4.24 C ATOM 1445 OG1 THR A 142 8.989 -13.555 -5.247 1.00 31.54 O ATOM 1446 CG2 THR A 142 10.153 -13.552 -3.081 1.00 51.33 C ATOM 0 H THR A 142 6.913 -13.504 -4.065 1.00 12.23 H new ATOM 0 HA THR A 142 8.572 -11.616 -2.575 1.00 43.25 H new ATOM 0 HB THR A 142 10.145 -12.003 -4.541 1.00 4.24 H new ATOM 0 HG1 THR A 142 8.351 -13.054 -5.797 1.00 31.54 H new ATOM 0 HG21 THR A 142 10.997 -14.074 -3.532 1.00 51.33 H new ATOM 0 HG22 THR A 142 10.514 -12.889 -2.295 1.00 51.33 H new ATOM 0 HG23 THR A 142 9.462 -14.279 -2.654 1.00 51.33 H new ATOM 1454 N ILE A 143 7.871 -9.657 -3.770 1.00 5.02 N ATOM 1455 CA ILE A 143 7.449 -8.374 -4.279 1.00 50.24 C ATOM 1456 C ILE A 143 8.513 -7.334 -3.991 1.00 75.33 C ATOM 1457 O ILE A 143 9.353 -7.556 -3.108 1.00 64.45 O ATOM 1458 CB ILE A 143 6.023 -7.952 -3.834 1.00 21.54 C ATOM 1459 CG1 ILE A 143 5.824 -8.107 -2.361 1.00 64.02 C ATOM 1460 CG2 ILE A 143 4.957 -8.695 -4.592 1.00 22.11 C ATOM 1461 CD1 ILE A 143 6.462 -7.008 -1.582 1.00 64.22 C ATOM 0 H ILE A 143 8.217 -9.592 -2.813 1.00 5.02 H new ATOM 0 HA ILE A 143 7.350 -8.464 -5.361 1.00 50.24 H new ATOM 0 HB ILE A 143 5.929 -6.892 -4.072 1.00 21.54 H new ATOM 0 HG12 ILE A 143 4.756 -8.131 -2.142 1.00 64.02 H new ATOM 0 HG13 ILE A 143 6.237 -9.063 -2.040 1.00 64.02 H new ATOM 0 HG21 ILE A 143 3.974 -8.370 -4.250 1.00 22.11 H new ATOM 0 HG22 ILE A 143 5.057 -8.488 -5.658 1.00 22.11 H new ATOM 0 HG23 ILE A 143 5.066 -9.766 -4.418 1.00 22.11 H new ATOM 0 HD11 ILE A 143 6.288 -7.168 -0.518 1.00 64.22 H new ATOM 0 HD12 ILE A 143 7.534 -6.999 -1.777 1.00 64.22 H new ATOM 0 HD13 ILE A 143 6.031 -6.053 -1.881 1.00 64.22 H new ATOM 1473 N PHE A 144 8.537 -6.271 -4.742 1.00 45.12 N ATOM 1474 CA PHE A 144 9.618 -5.327 -4.659 1.00 64.55 C ATOM 1475 C PHE A 144 9.292 -4.316 -3.588 1.00 72.20 C ATOM 1476 O PHE A 144 8.252 -3.651 -3.624 1.00 1.35 O ATOM 1477 CB PHE A 144 9.715 -4.547 -5.980 1.00 3.43 C ATOM 1478 CG PHE A 144 10.012 -5.354 -7.203 1.00 24.13 C ATOM 1479 CD1 PHE A 144 8.985 -5.911 -7.959 1.00 51.14 C ATOM 1480 CD2 PHE A 144 11.315 -5.531 -7.611 1.00 70.33 C ATOM 1481 CE1 PHE A 144 9.267 -6.636 -9.100 1.00 34.31 C ATOM 1482 CE2 PHE A 144 11.605 -6.250 -8.755 1.00 22.12 C ATOM 1483 CZ PHE A 144 10.579 -6.806 -9.499 1.00 20.52 C ATOM 0 H PHE A 144 7.816 -6.034 -5.424 1.00 45.12 H new ATOM 0 HA PHE A 144 10.545 -5.860 -4.447 1.00 64.55 H new ATOM 0 HB2 PHE A 144 8.773 -4.021 -6.137 1.00 3.43 H new ATOM 0 HB3 PHE A 144 10.490 -3.788 -5.874 1.00 3.43 H new ATOM 0 HD1 PHE A 144 7.959 -5.775 -7.651 1.00 51.14 H new ATOM 0 HD2 PHE A 144 12.119 -5.103 -7.031 1.00 70.33 H new ATOM 0 HE1 PHE A 144 8.464 -7.069 -9.679 1.00 34.31 H new ATOM 0 HE2 PHE A 144 12.631 -6.378 -9.068 1.00 22.12 H new ATOM 0 HZ PHE A 144 10.804 -7.372 -10.391 1.00 20.52 H new ATOM 1493 N GLU A 145 10.174 -4.234 -2.622 1.00 52.11 N ATOM 1494 CA GLU A 145 10.018 -3.361 -1.520 1.00 41.31 C ATOM 1495 C GLU A 145 10.758 -2.086 -1.839 1.00 53.03 C ATOM 1496 O GLU A 145 11.832 -2.116 -2.436 1.00 61.25 O ATOM 1497 CB GLU A 145 10.561 -3.996 -0.219 1.00 41.20 C ATOM 1498 CG GLU A 145 9.978 -5.355 0.128 1.00 73.23 C ATOM 1499 CD GLU A 145 9.850 -5.592 1.642 1.00 60.03 C ATOM 1500 OE1 GLU A 145 10.810 -6.071 2.286 1.00 4.24 O ATOM 1501 OE2 GLU A 145 8.752 -5.294 2.209 1.00 30.44 O ATOM 0 H GLU A 145 11.030 -4.788 -2.593 1.00 52.11 H new ATOM 0 HA GLU A 145 8.960 -3.158 -1.354 1.00 41.31 H new ATOM 0 HB2 GLU A 145 11.643 -4.094 -0.305 1.00 41.20 H new ATOM 0 HB3 GLU A 145 10.367 -3.313 0.608 1.00 41.20 H new ATOM 0 HG2 GLU A 145 8.994 -5.449 -0.332 1.00 73.23 H new ATOM 0 HG3 GLU A 145 10.607 -6.134 -0.303 1.00 73.23 H new ATOM 1508 N GLN A 146 10.189 -0.989 -1.492 1.00 15.53 N ATOM 1509 CA GLN A 146 10.769 0.273 -1.808 1.00 33.42 C ATOM 1510 C GLN A 146 11.056 1.030 -0.504 1.00 20.51 C ATOM 1511 O GLN A 146 10.119 1.354 0.253 1.00 4.13 O ATOM 1512 CB GLN A 146 9.797 1.036 -2.713 1.00 40.31 C ATOM 1513 CG GLN A 146 10.488 2.018 -3.618 1.00 64.13 C ATOM 1514 CD GLN A 146 9.572 2.708 -4.587 1.00 14.51 C ATOM 1515 OE1 GLN A 146 9.351 2.239 -5.690 1.00 32.14 O ATOM 1516 NE2 GLN A 146 9.050 3.832 -4.202 1.00 41.43 N ATOM 0 H GLN A 146 9.308 -0.936 -0.981 1.00 15.53 H new ATOM 0 HA GLN A 146 11.714 0.157 -2.339 1.00 33.42 H new ATOM 0 HB2 GLN A 146 9.237 0.323 -3.319 1.00 40.31 H new ATOM 0 HB3 GLN A 146 9.073 1.567 -2.094 1.00 40.31 H new ATOM 0 HG2 GLN A 146 10.986 2.771 -3.007 1.00 64.13 H new ATOM 0 HG3 GLN A 146 11.265 1.496 -4.177 1.00 64.13 H new ATOM 0 HE21 GLN A 146 9.255 4.197 -3.272 1.00 41.43 H new ATOM 0 HE22 GLN A 146 8.435 4.350 -4.829 1.00 41.43 H new ATOM 1525 N THR A 147 12.331 1.242 -0.207 1.00 62.23 N ATOM 1526 CA THR A 147 12.754 1.892 1.031 1.00 32.42 C ATOM 1527 C THR A 147 13.355 3.240 0.743 1.00 50.54 C ATOM 1528 O THR A 147 13.800 3.500 -0.362 1.00 4.23 O ATOM 1529 CB THR A 147 13.821 1.052 1.742 1.00 13.24 C ATOM 1530 OG1 THR A 147 14.072 -0.145 0.979 1.00 4.42 O ATOM 1531 CG2 THR A 147 13.363 0.686 3.137 1.00 74.11 C ATOM 0 H THR A 147 13.103 0.969 -0.816 1.00 62.23 H new ATOM 0 HA THR A 147 11.871 1.998 1.661 1.00 32.42 H new ATOM 0 HB THR A 147 14.738 1.635 1.821 1.00 13.24 H new ATOM 0 HG1 THR A 147 14.200 -0.901 1.589 1.00 4.42 H new ATOM 0 HG21 THR A 147 14.132 0.090 3.628 1.00 74.11 H new ATOM 0 HG22 THR A 147 13.186 1.595 3.712 1.00 74.11 H new ATOM 0 HG23 THR A 147 12.440 0.109 3.077 1.00 74.11 H new ATOM 1539 N ILE A 148 13.379 4.084 1.722 1.00 42.43 N ATOM 1540 CA ILE A 148 13.946 5.394 1.572 1.00 14.44 C ATOM 1541 C ILE A 148 15.252 5.422 2.325 1.00 21.31 C ATOM 1542 O ILE A 148 15.450 4.665 3.281 1.00 1.22 O ATOM 1543 CB ILE A 148 13.013 6.477 2.154 1.00 44.13 C ATOM 1544 CG1 ILE A 148 11.583 6.155 1.728 1.00 43.41 C ATOM 1545 CG2 ILE A 148 13.434 7.834 1.588 1.00 53.23 C ATOM 1546 CD1 ILE A 148 10.486 6.733 2.574 1.00 51.33 C ATOM 0 H ILE A 148 13.007 3.889 2.652 1.00 42.43 H new ATOM 0 HA ILE A 148 14.090 5.602 0.512 1.00 14.44 H new ATOM 0 HB ILE A 148 13.073 6.504 3.242 1.00 44.13 H new ATOM 0 HG12 ILE A 148 11.445 6.505 0.705 1.00 43.41 H new ATOM 0 HG13 ILE A 148 11.467 5.071 1.713 1.00 43.41 H new ATOM 0 HG21 ILE A 148 12.785 8.613 1.989 1.00 53.23 H new ATOM 0 HG22 ILE A 148 14.466 8.041 1.870 1.00 53.23 H new ATOM 0 HG23 ILE A 148 13.351 7.816 0.501 1.00 53.23 H new ATOM 0 HD11 ILE A 148 9.519 6.434 2.170 1.00 51.33 H new ATOM 0 HD12 ILE A 148 10.582 6.365 3.596 1.00 51.33 H new ATOM 0 HD13 ILE A 148 10.559 7.821 2.572 1.00 51.33 H new ATOM 1558 N ASN A 149 16.116 6.281 1.905 1.00 21.04 N ATOM 1559 CA ASN A 149 17.428 6.424 2.472 1.00 2.45 C ATOM 1560 C ASN A 149 17.456 7.529 3.505 1.00 32.14 C ATOM 1561 O ASN A 149 18.497 7.846 4.046 1.00 42.43 O ATOM 1562 CB ASN A 149 18.442 6.707 1.338 1.00 72.21 C ATOM 1563 CG ASN A 149 17.998 7.811 0.356 1.00 14.53 C ATOM 1564 OD1 ASN A 149 17.333 8.838 0.843 1.00 10.40 O flip ATOM 1565 ND2 ASN A 149 18.285 7.741 -0.838 1.00 71.24 N flip ATOM 0 H ASN A 149 15.931 6.925 1.136 1.00 21.04 H new ATOM 0 HA ASN A 149 17.701 5.498 2.978 1.00 2.45 H new ATOM 0 HB2 ASN A 149 19.396 6.992 1.781 1.00 72.21 H new ATOM 0 HB3 ASN A 149 18.613 5.786 0.780 1.00 72.21 H new ATOM 0 HD21 ASN A 149 18.801 6.935 -1.192 1.00 71.24 H new ATOM 0 HD22 ASN A 149 18.007 8.489 -1.474 1.00 71.24 H new ATOM 1572 N ASP A 150 16.299 8.101 3.791 1.00 71.33 N ATOM 1573 CA ASP A 150 16.250 9.271 4.664 1.00 21.12 C ATOM 1574 C ASP A 150 14.936 9.365 5.376 1.00 72.11 C ATOM 1575 O ASP A 150 14.879 9.381 6.604 1.00 34.25 O ATOM 1576 CB ASP A 150 16.400 10.501 3.827 1.00 34.44 C ATOM 1577 CG ASP A 150 16.637 11.745 4.671 1.00 63.24 C ATOM 1578 OD1 ASP A 150 17.804 12.062 4.960 1.00 12.12 O ATOM 1579 OD2 ASP A 150 15.672 12.419 5.058 1.00 53.40 O ATOM 0 H ASP A 150 15.394 7.785 3.441 1.00 71.33 H new ATOM 0 HA ASP A 150 17.051 9.180 5.398 1.00 21.12 H new ATOM 0 HB2 ASP A 150 17.232 10.369 3.136 1.00 34.44 H new ATOM 0 HB3 ASP A 150 15.503 10.639 3.223 1.00 34.44 H new ATOM 1584 N LEU A 151 13.861 9.366 4.582 1.00 63.52 N ATOM 1585 CA LEU A 151 12.468 9.515 5.056 1.00 72.30 C ATOM 1586 C LEU A 151 11.971 8.188 5.627 1.00 70.55 C ATOM 1587 O LEU A 151 10.780 7.962 5.751 1.00 64.41 O ATOM 1588 CB LEU A 151 11.592 9.860 3.863 1.00 73.43 C ATOM 1589 CG LEU A 151 12.077 10.967 2.950 1.00 53.54 C ATOM 1590 CD1 LEU A 151 11.515 10.753 1.572 1.00 40.01 C ATOM 1591 CD2 LEU A 151 11.593 12.283 3.445 1.00 63.41 C ATOM 0 H LEU A 151 13.929 9.262 3.570 1.00 63.52 H new ATOM 0 HA LEU A 151 12.426 10.291 5.821 1.00 72.30 H new ATOM 0 HB2 LEU A 151 11.465 8.958 3.264 1.00 73.43 H new ATOM 0 HB3 LEU A 151 10.606 10.136 4.236 1.00 73.43 H new ATOM 0 HG LEU A 151 13.167 10.954 2.930 1.00 53.54 H new ATOM 0 HD11 LEU A 151 11.861 11.547 0.911 1.00 40.01 H new ATOM 0 HD12 LEU A 151 11.850 9.789 1.188 1.00 40.01 H new ATOM 0 HD13 LEU A 151 10.426 10.767 1.617 1.00 40.01 H new ATOM 0 HD21 LEU A 151 11.946 13.073 2.783 1.00 63.41 H new ATOM 0 HD22 LEU A 151 10.503 12.286 3.464 1.00 63.41 H new ATOM 0 HD23 LEU A 151 11.974 12.456 4.451 1.00 63.41 H new ATOM 1603 N THR A 152 12.910 7.345 5.943 1.00 35.44 N ATOM 1604 CA THR A 152 12.736 6.017 6.465 1.00 52.03 C ATOM 1605 C THR A 152 11.796 5.988 7.695 1.00 1.25 C ATOM 1606 O THR A 152 11.028 5.040 7.887 1.00 64.04 O ATOM 1607 CB THR A 152 14.142 5.520 6.854 1.00 33.44 C ATOM 1608 OG1 THR A 152 15.030 5.791 5.753 1.00 42.22 O ATOM 1609 CG2 THR A 152 14.164 4.038 7.120 1.00 5.12 C ATOM 0 H THR A 152 13.895 7.585 5.835 1.00 35.44 H new ATOM 0 HA THR A 152 12.269 5.378 5.715 1.00 52.03 H new ATOM 0 HB THR A 152 14.447 6.034 7.766 1.00 33.44 H new ATOM 0 HG1 THR A 152 14.866 5.146 5.034 1.00 42.22 H new ATOM 0 HG21 THR A 152 15.175 3.732 7.391 1.00 5.12 H new ATOM 0 HG22 THR A 152 13.483 3.805 7.939 1.00 5.12 H new ATOM 0 HG23 THR A 152 13.851 3.503 6.224 1.00 5.12 H new ATOM 1617 N PHE A 153 11.831 7.038 8.485 1.00 31.12 N ATOM 1618 CA PHE A 153 11.033 7.110 9.693 1.00 2.31 C ATOM 1619 C PHE A 153 9.849 8.052 9.505 1.00 31.33 C ATOM 1620 O PHE A 153 9.063 7.888 8.554 1.00 25.15 O ATOM 1621 CB PHE A 153 11.891 7.556 10.877 1.00 30.42 C ATOM 1622 CG PHE A 153 13.053 6.644 11.171 1.00 62.32 C ATOM 1623 CD1 PHE A 153 12.881 5.516 11.951 1.00 12.12 C ATOM 1624 CD2 PHE A 153 14.317 6.915 10.662 1.00 32.11 C ATOM 1625 CE1 PHE A 153 13.941 4.676 12.221 1.00 24.04 C ATOM 1626 CE2 PHE A 153 15.382 6.078 10.929 1.00 62.23 C ATOM 1627 CZ PHE A 153 15.193 4.956 11.710 1.00 2.41 C ATOM 0 H PHE A 153 12.408 7.861 8.312 1.00 31.12 H new ATOM 0 HA PHE A 153 10.645 6.114 9.904 1.00 2.31 H new ATOM 0 HB2 PHE A 153 12.270 8.559 10.680 1.00 30.42 H new ATOM 0 HB3 PHE A 153 11.261 7.622 11.764 1.00 30.42 H new ATOM 0 HD1 PHE A 153 11.905 5.290 12.354 1.00 12.12 H new ATOM 0 HD2 PHE A 153 14.468 7.792 10.050 1.00 32.11 H new ATOM 0 HE1 PHE A 153 13.792 3.798 12.833 1.00 24.04 H new ATOM 0 HE2 PHE A 153 16.360 6.301 10.528 1.00 62.23 H new ATOM 0 HZ PHE A 153 16.023 4.298 11.921 1.00 2.41 H new