USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=26 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 -112:sc= -5.46! USER MOD Set 1.2: A 107 CYS SG : rot 121:sc= 1.47! USER MOD Set 1.3: A 120 HIS : no HD1:sc= -3.97! C(o=-9.9!,f=-31!) USER MOD Set 1.4: A 125 HIS : no HD1:sc= -1.96 K(o=-9.9,f=-26!) USER MOD Set 2.1: A 72 CYS SG : rot 119:sc= -0.235! USER MOD Set 2.2: A 75 CYS SG : rot -83:sc= -2.74! USER MOD Set 2.3: A 88 HIS : no HE2:sc= -2.38! C(o=-6.8!,f=-28!) USER MOD Set 2.4: A 93 HIS : no HD1:sc= -1.47 K(o=-6.8,f=-18!) USER MOD Set 3.1: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 112 LYS NZ :NH3+ -156:sc= 1.02 (180deg=0.138) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.267 USER MOD Single : A 78 GLN : amide:sc= -2.43 K(o=-2.4,f=-5.7!) USER MOD Single : A 79 THR OG1 : rot 150:sc= 0.0532 USER MOD Single : A 83 ASN : amide:sc= -0.0777 X(o=-0.078,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 -76:sc= 1.19 USER MOD Single : A 100 SER OG : rot 22:sc= 0.159 USER MOD Single : A 101 SER OG : rot 100:sc= -0.597 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -1.75! K(o=-1.8!,f=-0.17) USER MOD Single : A 111 THR OG1 : rot 46:sc= 0.87 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= -2.72! C(o=-2.7!,f=-6.1!) USER MOD Single : A 123 LYS NZ :NH3+ 162:sc= 0.372 (180deg=0.251) USER MOD Single : A 124 TYR OH : rot -149:sc= -1.62! USER MOD Single : A 130 ASN : amide:sc= -0.913 X(o=-0.91,f=-0.67) 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 161:sc= -0.102 (180deg=-0.559) USER MOD Single : A 137 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.07) USER MOD Single : A 139 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 140 ASN : amide:sc= 0.512 K(o=0.51,f=-0.017) USER MOD Single : A 141 GLN : amide:sc= -4.06! C(o=-4.1!,f=-1!) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.0334 USER MOD Single : A 146 GLN : amide:sc= -0.959 X(o=-0.96,f=-1.2) USER MOD Single : A 147 THR OG1 : rot -158:sc= -2.51! USER MOD Single : A 149 ASN : amide:sc= -3.56! C(o=-3.6!,f=-2.2!) USER MOD Single : A 152 THR OG1 : rot -76:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 235 N VAL A 66 -4.579 6.275 -4.972 1.00 0.44 N ATOM 236 CA VAL A 66 -4.245 6.064 -3.596 1.00 31.21 C ATOM 237 C VAL A 66 -4.504 7.400 -2.855 1.00 15.15 C ATOM 238 O VAL A 66 -4.143 8.480 -3.360 1.00 52.33 O ATOM 239 CB VAL A 66 -2.764 5.571 -3.464 1.00 1.54 C ATOM 240 CG1 VAL A 66 -1.751 6.678 -3.643 1.00 72.43 C ATOM 241 CG2 VAL A 66 -2.523 4.784 -2.190 1.00 40.11 C ATOM 0 HA VAL A 66 -4.858 5.282 -3.147 1.00 31.21 H new ATOM 0 HB VAL A 66 -2.612 4.882 -4.295 1.00 1.54 H new ATOM 0 HG11 VAL A 66 -0.745 6.271 -3.540 1.00 72.43 H new ATOM 0 HG12 VAL A 66 -1.864 7.118 -4.634 1.00 72.43 H new ATOM 0 HG13 VAL A 66 -1.912 7.444 -2.885 1.00 72.43 H new ATOM 0 HG21 VAL A 66 -1.481 4.467 -2.150 1.00 40.11 H new ATOM 0 HG22 VAL A 66 -2.745 5.412 -1.327 1.00 40.11 H new ATOM 0 HG23 VAL A 66 -3.170 3.907 -2.176 1.00 40.11 H new ATOM 251 N GLU A 67 -5.194 7.354 -1.736 1.00 52.25 N ATOM 252 CA GLU A 67 -5.564 8.591 -1.057 1.00 61.40 C ATOM 253 C GLU A 67 -4.515 9.005 -0.038 1.00 64.04 C ATOM 254 O GLU A 67 -3.572 9.688 -0.388 1.00 34.22 O ATOM 255 CB GLU A 67 -6.946 8.471 -0.418 1.00 53.42 C ATOM 256 CG GLU A 67 -7.984 7.818 -1.314 1.00 72.13 C ATOM 257 CD GLU A 67 -9.268 7.483 -0.566 1.00 12.54 C ATOM 258 OE1 GLU A 67 -9.208 6.846 0.510 1.00 14.13 O ATOM 259 OE2 GLU A 67 -10.368 7.818 -1.052 1.00 62.33 O ATOM 0 H GLU A 67 -5.508 6.497 -1.280 1.00 52.25 H new ATOM 0 HA GLU A 67 -5.611 9.379 -1.808 1.00 61.40 H new ATOM 0 HB2 GLU A 67 -6.861 7.894 0.503 1.00 53.42 H new ATOM 0 HB3 GLU A 67 -7.294 9.466 -0.140 1.00 53.42 H new ATOM 0 HG2 GLU A 67 -8.214 8.485 -2.145 1.00 72.13 H new ATOM 0 HG3 GLU A 67 -7.568 6.906 -1.743 1.00 72.13 H new ATOM 266 N GLY A 68 -4.646 8.562 1.199 1.00 5.11 N ATOM 267 CA GLY A 68 -3.682 8.973 2.201 1.00 34.43 C ATOM 268 C GLY A 68 -3.377 7.898 3.191 1.00 5.52 C ATOM 269 O GLY A 68 -2.724 8.136 4.212 1.00 61.41 O ATOM 0 H GLY A 68 -5.384 7.939 1.526 1.00 5.11 H new ATOM 0 HA2 GLY A 68 -2.759 9.277 1.707 1.00 34.43 H new ATOM 0 HA3 GLY A 68 -4.064 9.847 2.728 1.00 34.43 H new ATOM 273 N GLY A 69 -3.824 6.718 2.897 1.00 13.30 N ATOM 274 CA GLY A 69 -3.571 5.623 3.767 1.00 12.23 C ATOM 275 C GLY A 69 -2.891 4.483 3.087 1.00 51.21 C ATOM 276 O GLY A 69 -2.324 4.631 2.021 1.00 12.25 O ATOM 0 H GLY A 69 -4.365 6.492 2.062 1.00 13.30 H new ATOM 0 HA2 GLY A 69 -2.954 5.962 4.599 1.00 12.23 H new ATOM 0 HA3 GLY A 69 -4.514 5.276 4.190 1.00 12.23 H new ATOM 280 N TYR A 70 -2.996 3.344 3.651 1.00 71.15 N ATOM 281 CA TYR A 70 -2.354 2.189 3.102 1.00 43.41 C ATOM 282 C TYR A 70 -3.380 1.369 2.383 1.00 31.22 C ATOM 283 O TYR A 70 -4.324 0.854 2.995 1.00 41.02 O ATOM 284 CB TYR A 70 -1.671 1.400 4.212 1.00 71.04 C ATOM 285 CG TYR A 70 -0.881 2.287 5.149 1.00 32.44 C ATOM 286 CD1 TYR A 70 0.162 3.081 4.690 1.00 41.44 C ATOM 287 CD2 TYR A 70 -1.211 2.357 6.489 1.00 20.10 C ATOM 288 CE1 TYR A 70 0.843 3.922 5.546 1.00 73.32 C ATOM 289 CE2 TYR A 70 -0.536 3.180 7.346 1.00 4.14 C ATOM 290 CZ TYR A 70 0.489 3.965 6.877 1.00 31.44 C ATOM 291 OH TYR A 70 1.152 4.808 7.739 1.00 41.12 O ATOM 0 H TYR A 70 -3.526 3.172 4.506 1.00 71.15 H new ATOM 0 HA TYR A 70 -1.582 2.480 2.390 1.00 43.41 H new ATOM 0 HB2 TYR A 70 -2.423 0.854 4.781 1.00 71.04 H new ATOM 0 HB3 TYR A 70 -1.005 0.659 3.770 1.00 71.04 H new ATOM 0 HD1 TYR A 70 0.444 3.040 3.648 1.00 41.44 H new ATOM 0 HD2 TYR A 70 -2.019 1.749 6.867 1.00 20.10 H new ATOM 0 HE1 TYR A 70 1.647 4.541 5.176 1.00 73.32 H new ATOM 0 HE2 TYR A 70 -0.808 3.213 8.391 1.00 4.14 H new ATOM 0 HH TYR A 70 0.777 4.715 8.640 1.00 41.12 H new ATOM 301 N GLU A 71 -3.252 1.336 1.087 1.00 62.31 N ATOM 302 CA GLU A 71 -4.148 0.601 0.248 1.00 55.55 C ATOM 303 C GLU A 71 -3.495 -0.687 -0.130 1.00 61.22 C ATOM 304 O GLU A 71 -2.388 -0.690 -0.633 1.00 40.11 O ATOM 305 CB GLU A 71 -4.538 1.416 -0.999 1.00 43.22 C ATOM 306 CG GLU A 71 -5.473 0.686 -1.964 1.00 11.33 C ATOM 307 CD GLU A 71 -4.782 0.260 -3.245 1.00 24.31 C ATOM 308 OE1 GLU A 71 -3.537 0.123 -3.269 1.00 51.12 O ATOM 309 OE2 GLU A 71 -5.456 0.155 -4.289 1.00 10.22 O ATOM 0 H GLU A 71 -2.514 1.825 0.580 1.00 62.31 H new ATOM 0 HA GLU A 71 -5.071 0.396 0.791 1.00 55.55 H new ATOM 0 HB2 GLU A 71 -5.017 2.341 -0.678 1.00 43.22 H new ATOM 0 HB3 GLU A 71 -3.630 1.696 -1.534 1.00 43.22 H new ATOM 0 HG2 GLU A 71 -5.884 -0.194 -1.469 1.00 11.33 H new ATOM 0 HG3 GLU A 71 -6.314 1.335 -2.209 1.00 11.33 H new ATOM 316 N CYS A 72 -4.152 -1.756 0.184 1.00 41.42 N ATOM 317 CA CYS A 72 -3.667 -3.070 -0.145 1.00 0.23 C ATOM 318 C CYS A 72 -3.711 -3.318 -1.660 1.00 51.34 C ATOM 319 O CYS A 72 -4.626 -2.907 -2.344 1.00 24.15 O ATOM 320 CB CYS A 72 -4.554 -4.135 0.481 1.00 5.13 C ATOM 321 SG CYS A 72 -4.915 -4.010 2.267 1.00 1.50 S ATOM 0 H CYS A 72 -5.044 -1.749 0.678 1.00 41.42 H new ATOM 0 HA CYS A 72 -2.644 -3.126 0.228 1.00 0.23 H new ATOM 0 HB2 CYS A 72 -5.504 -4.134 -0.053 1.00 5.13 H new ATOM 0 HB3 CYS A 72 -4.089 -5.104 0.301 1.00 5.13 H new ATOM 0 HG CYS A 72 -6.197 -3.881 2.443 1.00 1.50 H new ATOM 326 N LYS A 73 -2.746 -4.049 -2.129 1.00 75.35 N ATOM 327 CA LYS A 73 -2.687 -4.554 -3.493 1.00 41.51 C ATOM 328 C LYS A 73 -3.872 -5.507 -3.755 1.00 44.32 C ATOM 329 O LYS A 73 -4.335 -5.672 -4.880 1.00 23.42 O ATOM 330 CB LYS A 73 -1.338 -5.303 -3.631 1.00 62.13 C ATOM 331 CG LYS A 73 -1.205 -6.283 -4.791 1.00 51.22 C ATOM 332 CD LYS A 73 -1.281 -5.624 -6.143 1.00 25.33 C ATOM 333 CE LYS A 73 -1.236 -6.685 -7.235 1.00 23.31 C ATOM 334 NZ LYS A 73 -1.377 -6.112 -8.589 1.00 23.31 N ATOM 0 H LYS A 73 -1.944 -4.327 -1.564 1.00 75.35 H new ATOM 0 HA LYS A 73 -2.754 -3.745 -4.220 1.00 41.51 H new ATOM 0 HB2 LYS A 73 -0.546 -4.560 -3.723 1.00 62.13 H new ATOM 0 HB3 LYS A 73 -1.157 -5.848 -2.705 1.00 62.13 H new ATOM 0 HG2 LYS A 73 -0.255 -6.810 -4.705 1.00 51.22 H new ATOM 0 HG3 LYS A 73 -1.993 -7.033 -4.716 1.00 51.22 H new ATOM 0 HD2 LYS A 73 -2.200 -5.044 -6.224 1.00 25.33 H new ATOM 0 HD3 LYS A 73 -0.452 -4.927 -6.266 1.00 25.33 H new ATOM 0 HE2 LYS A 73 -0.293 -7.228 -7.171 1.00 23.31 H new ATOM 0 HE3 LYS A 73 -2.033 -7.409 -7.066 1.00 23.31 H new ATOM 0 HZ1 LYS A 73 -1.340 -6.875 -9.295 1.00 23.31 H new ATOM 0 HZ2 LYS A 73 -2.288 -5.616 -8.663 1.00 23.31 H new ATOM 0 HZ3 LYS A 73 -0.602 -5.441 -8.764 1.00 23.31 H new ATOM 348 N TYR A 74 -4.386 -6.059 -2.685 1.00 42.41 N ATOM 349 CA TYR A 74 -5.371 -7.106 -2.745 1.00 13.43 C ATOM 350 C TYR A 74 -6.764 -6.630 -2.331 1.00 25.41 C ATOM 351 O TYR A 74 -7.682 -7.436 -2.224 1.00 31.31 O ATOM 352 CB TYR A 74 -4.896 -8.317 -1.904 1.00 32.32 C ATOM 353 CG TYR A 74 -3.617 -8.053 -1.108 1.00 52.25 C ATOM 354 CD1 TYR A 74 -2.362 -8.200 -1.699 1.00 22.10 C ATOM 355 CD2 TYR A 74 -3.668 -7.644 0.212 1.00 10.33 C ATOM 356 CE1 TYR A 74 -1.209 -7.941 -0.985 1.00 1.32 C ATOM 357 CE2 TYR A 74 -2.516 -7.386 0.934 1.00 21.22 C ATOM 358 CZ TYR A 74 -1.292 -7.533 0.332 1.00 5.11 C ATOM 359 OH TYR A 74 -0.140 -7.271 1.043 1.00 23.43 O ATOM 0 H TYR A 74 -4.128 -5.789 -1.736 1.00 42.41 H new ATOM 0 HA TYR A 74 -5.469 -7.419 -3.785 1.00 13.43 H new ATOM 0 HB2 TYR A 74 -5.690 -8.602 -1.214 1.00 32.32 H new ATOM 0 HB3 TYR A 74 -4.731 -9.166 -2.568 1.00 32.32 H new ATOM 0 HD1 TYR A 74 -2.291 -8.520 -2.728 1.00 22.10 H new ATOM 0 HD2 TYR A 74 -4.629 -7.523 0.690 1.00 10.33 H new ATOM 0 HE1 TYR A 74 -0.244 -8.057 -1.455 1.00 1.32 H new ATOM 0 HE2 TYR A 74 -2.580 -7.071 1.965 1.00 21.22 H new ATOM 0 HH TYR A 74 -0.373 -6.994 1.954 1.00 23.43 H new ATOM 369 N CYS A 75 -6.929 -5.334 -2.127 1.00 45.01 N ATOM 370 CA CYS A 75 -8.239 -4.790 -1.818 1.00 4.13 C ATOM 371 C CYS A 75 -8.275 -3.308 -2.144 1.00 5.13 C ATOM 372 O CYS A 75 -7.322 -2.775 -2.691 1.00 45.31 O ATOM 373 CB CYS A 75 -8.660 -5.071 -0.336 1.00 71.41 C ATOM 374 SG CYS A 75 -7.698 -4.234 1.025 1.00 72.55 S ATOM 0 H CYS A 75 -6.179 -4.644 -2.169 1.00 45.01 H new ATOM 0 HA CYS A 75 -8.973 -5.298 -2.443 1.00 4.13 H new ATOM 0 HB2 CYS A 75 -9.707 -4.787 -0.227 1.00 71.41 H new ATOM 0 HB3 CYS A 75 -8.603 -6.147 -0.172 1.00 71.41 H new ATOM 0 HG CYS A 75 -6.620 -4.915 1.276 1.00 72.55 H new ATOM 379 N THR A 76 -9.380 -2.673 -1.891 1.00 31.44 N ATOM 380 CA THR A 76 -9.473 -1.244 -2.032 1.00 30.31 C ATOM 381 C THR A 76 -9.849 -0.646 -0.653 1.00 73.40 C ATOM 382 O THR A 76 -10.228 0.532 -0.507 1.00 11.31 O ATOM 383 CB THR A 76 -10.488 -0.865 -3.155 1.00 62.42 C ATOM 384 OG1 THR A 76 -10.113 -1.560 -4.368 1.00 62.44 O ATOM 385 CG2 THR A 76 -10.472 0.637 -3.450 1.00 51.31 C ATOM 0 H THR A 76 -10.241 -3.125 -1.582 1.00 31.44 H new ATOM 0 HA THR A 76 -8.516 -0.823 -2.342 1.00 30.31 H new ATOM 0 HB THR A 76 -11.486 -1.145 -2.818 1.00 62.42 H new ATOM 0 HG1 THR A 76 -10.743 -1.333 -5.083 1.00 62.44 H new ATOM 0 HG21 THR A 76 -11.192 0.861 -4.237 1.00 51.31 H new ATOM 0 HG22 THR A 76 -10.738 1.188 -2.548 1.00 51.31 H new ATOM 0 HG23 THR A 76 -9.475 0.933 -3.775 1.00 51.31 H new ATOM 393 N PHE A 77 -9.727 -1.474 0.377 1.00 34.04 N ATOM 394 CA PHE A 77 -9.937 -1.002 1.710 1.00 75.23 C ATOM 395 C PHE A 77 -8.630 -0.435 2.196 1.00 11.21 C ATOM 396 O PHE A 77 -7.674 -1.179 2.499 1.00 63.03 O ATOM 397 CB PHE A 77 -10.451 -2.095 2.663 1.00 74.13 C ATOM 398 CG PHE A 77 -10.726 -1.573 4.057 1.00 71.21 C ATOM 399 CD1 PHE A 77 -11.889 -0.880 4.331 1.00 43.54 C ATOM 400 CD2 PHE A 77 -9.816 -1.763 5.084 1.00 74.33 C ATOM 401 CE1 PHE A 77 -12.137 -0.385 5.595 1.00 12.12 C ATOM 402 CE2 PHE A 77 -10.061 -1.274 6.352 1.00 43.54 C ATOM 403 CZ PHE A 77 -11.223 -0.583 6.609 1.00 34.11 C ATOM 0 H PHE A 77 -9.486 -2.462 0.301 1.00 34.04 H new ATOM 0 HA PHE A 77 -10.717 -0.241 1.699 1.00 75.23 H new ATOM 0 HB2 PHE A 77 -11.365 -2.527 2.255 1.00 74.13 H new ATOM 0 HB3 PHE A 77 -9.716 -2.898 2.719 1.00 74.13 H new ATOM 0 HD1 PHE A 77 -12.614 -0.724 3.546 1.00 43.54 H new ATOM 0 HD2 PHE A 77 -8.900 -2.302 4.890 1.00 74.33 H new ATOM 0 HE1 PHE A 77 -13.049 0.159 5.791 1.00 12.12 H new ATOM 0 HE2 PHE A 77 -9.341 -1.434 7.141 1.00 43.54 H new ATOM 0 HZ PHE A 77 -11.418 -0.198 7.599 1.00 34.11 H new ATOM 413 N GLN A 78 -8.578 0.847 2.219 1.00 35.54 N ATOM 414 CA GLN A 78 -7.419 1.573 2.588 1.00 13.01 C ATOM 415 C GLN A 78 -7.622 2.241 3.918 1.00 33.30 C ATOM 416 O GLN A 78 -8.722 2.661 4.247 1.00 30.43 O ATOM 417 CB GLN A 78 -7.072 2.590 1.487 1.00 11.32 C ATOM 418 CG GLN A 78 -6.233 3.762 1.949 1.00 15.13 C ATOM 419 CD GLN A 78 -5.752 4.645 0.833 1.00 4.11 C ATOM 420 OE1 GLN A 78 -6.417 5.543 0.406 1.00 61.35 O ATOM 421 NE2 GLN A 78 -4.553 4.466 0.458 1.00 1.22 N ATOM 0 H GLN A 78 -9.370 1.440 1.972 1.00 35.54 H new ATOM 0 HA GLN A 78 -6.578 0.888 2.693 1.00 13.01 H new ATOM 0 HB2 GLN A 78 -6.540 2.073 0.688 1.00 11.32 H new ATOM 0 HB3 GLN A 78 -7.999 2.971 1.058 1.00 11.32 H new ATOM 0 HG2 GLN A 78 -6.817 4.361 2.647 1.00 15.13 H new ATOM 0 HG3 GLN A 78 -5.370 3.384 2.498 1.00 15.13 H new ATOM 0 HE21 GLN A 78 -4.010 3.692 0.839 1.00 1.22 H new ATOM 0 HE22 GLN A 78 -4.133 5.097 -0.225 1.00 1.22 H new ATOM 430 N THR A 79 -6.583 2.296 4.682 1.00 41.31 N ATOM 431 CA THR A 79 -6.621 2.949 5.943 1.00 63.51 C ATOM 432 C THR A 79 -5.247 3.519 6.262 1.00 52.34 C ATOM 433 O THR A 79 -4.238 2.853 6.066 1.00 74.50 O ATOM 434 CB THR A 79 -7.117 2.001 7.076 1.00 61.25 C ATOM 435 OG1 THR A 79 -7.068 2.665 8.344 1.00 41.13 O ATOM 436 CG2 THR A 79 -6.296 0.719 7.131 1.00 14.24 C ATOM 0 H THR A 79 -5.679 1.886 4.446 1.00 41.31 H new ATOM 0 HA THR A 79 -7.341 3.765 5.885 1.00 63.51 H new ATOM 0 HB THR A 79 -8.150 1.734 6.851 1.00 61.25 H new ATOM 0 HG1 THR A 79 -7.772 2.310 8.926 1.00 41.13 H new ATOM 0 HG21 THR A 79 -6.670 0.082 7.932 1.00 14.24 H new ATOM 0 HG22 THR A 79 -6.379 0.193 6.180 1.00 14.24 H new ATOM 0 HG23 THR A 79 -5.251 0.964 7.320 1.00 14.24 H new ATOM 444 N PRO A 80 -5.177 4.803 6.621 1.00 3.03 N ATOM 445 CA PRO A 80 -3.927 5.447 7.058 1.00 54.10 C ATOM 446 C PRO A 80 -3.481 5.000 8.443 1.00 74.02 C ATOM 447 O PRO A 80 -2.414 5.392 8.924 1.00 13.12 O ATOM 448 CB PRO A 80 -4.262 6.932 7.040 1.00 34.03 C ATOM 449 CG PRO A 80 -5.739 6.991 7.206 1.00 13.14 C ATOM 450 CD PRO A 80 -6.285 5.769 6.527 1.00 34.34 C ATOM 0 HA PRO A 80 -3.091 5.184 6.410 1.00 54.10 H new ATOM 0 HB2 PRO A 80 -3.752 7.462 7.844 1.00 34.03 H new ATOM 0 HB3 PRO A 80 -3.950 7.396 6.104 1.00 34.03 H new ATOM 0 HG2 PRO A 80 -6.012 7.005 8.261 1.00 13.14 H new ATOM 0 HG3 PRO A 80 -6.145 7.899 6.760 1.00 13.14 H new ATOM 0 HD2 PRO A 80 -7.183 5.401 7.024 1.00 34.34 H new ATOM 0 HD3 PRO A 80 -6.555 5.972 5.491 1.00 34.34 H new ATOM 458 N ASP A 81 -4.284 4.190 9.072 1.00 12.11 N ATOM 459 CA ASP A 81 -3.936 3.626 10.335 1.00 14.43 C ATOM 460 C ASP A 81 -3.266 2.324 10.074 1.00 1.41 C ATOM 461 O ASP A 81 -3.914 1.378 9.622 1.00 52.25 O ATOM 462 CB ASP A 81 -5.165 3.383 11.220 1.00 2.40 C ATOM 463 CG ASP A 81 -5.834 4.634 11.713 1.00 62.53 C ATOM 464 OD1 ASP A 81 -6.684 5.193 10.999 1.00 22.34 O ATOM 465 OD2 ASP A 81 -5.529 5.076 12.851 1.00 23.24 O ATOM 0 H ASP A 81 -5.198 3.905 8.720 1.00 12.11 H new ATOM 0 HA ASP A 81 -3.286 4.323 10.864 1.00 14.43 H new ATOM 0 HB2 ASP A 81 -5.891 2.795 10.658 1.00 2.40 H new ATOM 0 HB3 ASP A 81 -4.865 2.783 12.079 1.00 2.40 H new ATOM 470 N LEU A 82 -1.972 2.282 10.307 1.00 61.54 N ATOM 471 CA LEU A 82 -1.165 1.102 10.129 1.00 52.12 C ATOM 472 C LEU A 82 -1.782 -0.047 10.912 1.00 1.30 C ATOM 473 O LEU A 82 -1.888 -1.148 10.398 1.00 70.01 O ATOM 474 CB LEU A 82 0.269 1.379 10.631 1.00 33.01 C ATOM 475 CG LEU A 82 1.426 0.556 10.009 1.00 12.31 C ATOM 476 CD1 LEU A 82 1.211 -0.931 10.134 1.00 72.02 C ATOM 477 CD2 LEU A 82 1.610 0.930 8.565 1.00 70.13 C ATOM 0 H LEU A 82 -1.442 3.090 10.634 1.00 61.54 H new ATOM 0 HA LEU A 82 -1.124 0.835 9.073 1.00 52.12 H new ATOM 0 HB2 LEU A 82 0.483 2.435 10.466 1.00 33.01 H new ATOM 0 HB3 LEU A 82 0.284 1.215 11.709 1.00 33.01 H new ATOM 0 HG LEU A 82 2.328 0.799 10.570 1.00 12.31 H new ATOM 0 HD11 LEU A 82 2.051 -1.459 9.682 1.00 72.02 H new ATOM 0 HD12 LEU A 82 1.137 -1.201 11.188 1.00 72.02 H new ATOM 0 HD13 LEU A 82 0.290 -1.210 9.623 1.00 72.02 H new ATOM 0 HD21 LEU A 82 2.425 0.345 8.139 1.00 70.13 H new ATOM 0 HD22 LEU A 82 0.691 0.725 8.016 1.00 70.13 H new ATOM 0 HD23 LEU A 82 1.847 1.991 8.491 1.00 70.13 H new ATOM 489 N ASN A 83 -2.241 0.243 12.130 1.00 44.25 N ATOM 490 CA ASN A 83 -2.840 -0.738 12.989 1.00 14.34 C ATOM 491 C ASN A 83 -4.021 -1.375 12.298 1.00 44.40 C ATOM 492 O ASN A 83 -4.130 -2.572 12.255 1.00 34.33 O ATOM 493 CB ASN A 83 -3.329 -0.083 14.259 1.00 44.11 C ATOM 494 CG ASN A 83 -3.745 -1.089 15.296 1.00 73.11 C ATOM 495 OD1 ASN A 83 -2.942 -1.517 16.130 1.00 42.13 O ATOM 496 ND2 ASN A 83 -4.978 -1.480 15.262 1.00 71.31 N ATOM 0 H ASN A 83 -2.200 1.177 12.537 1.00 44.25 H new ATOM 0 HA ASN A 83 -2.091 -1.494 13.223 1.00 14.34 H new ATOM 0 HB2 ASN A 83 -2.540 0.550 14.666 1.00 44.11 H new ATOM 0 HB3 ASN A 83 -4.173 0.568 14.028 1.00 44.11 H new ATOM 0 HD21 ASN A 83 -5.315 -2.164 15.939 1.00 71.31 H new ATOM 0 HD22 ASN A 83 -5.613 -1.104 14.558 1.00 71.31 H new ATOM 503 N MET A 84 -4.871 -0.548 11.704 1.00 45.13 N ATOM 504 CA MET A 84 -6.071 -1.039 11.037 1.00 13.41 C ATOM 505 C MET A 84 -5.691 -1.718 9.755 1.00 10.41 C ATOM 506 O MET A 84 -6.369 -2.650 9.300 1.00 13.24 O ATOM 507 CB MET A 84 -7.050 0.090 10.732 1.00 41.33 C ATOM 508 CG MET A 84 -7.453 0.898 11.932 1.00 42.10 C ATOM 509 SD MET A 84 -8.189 -0.091 13.238 1.00 14.31 S ATOM 510 CE MET A 84 -8.593 1.202 14.415 1.00 3.52 C ATOM 0 H MET A 84 -4.753 0.465 11.670 1.00 45.13 H new ATOM 0 HA MET A 84 -6.561 -1.743 11.710 1.00 13.41 H new ATOM 0 HB2 MET A 84 -6.601 0.755 9.994 1.00 41.33 H new ATOM 0 HB3 MET A 84 -7.945 -0.334 10.276 1.00 41.33 H new ATOM 0 HG2 MET A 84 -6.577 1.413 12.326 1.00 42.10 H new ATOM 0 HG3 MET A 84 -8.162 1.666 11.623 1.00 42.10 H new ATOM 0 HE1 MET A 84 -9.062 0.760 15.294 1.00 3.52 H new ATOM 0 HE2 MET A 84 -7.682 1.721 14.712 1.00 3.52 H new ATOM 0 HE3 MET A 84 -9.281 1.911 13.955 1.00 3.52 H new ATOM 520 N PHE A 85 -4.611 -1.250 9.158 1.00 53.22 N ATOM 521 CA PHE A 85 -4.117 -1.844 7.952 1.00 5.44 C ATOM 522 C PHE A 85 -3.625 -3.246 8.221 1.00 61.54 C ATOM 523 O PHE A 85 -4.163 -4.183 7.679 1.00 4.11 O ATOM 524 CB PHE A 85 -3.010 -0.977 7.319 1.00 24.53 C ATOM 525 CG PHE A 85 -2.304 -1.653 6.169 1.00 1.13 C ATOM 526 CD1 PHE A 85 -2.901 -1.767 4.910 1.00 74.41 C ATOM 527 CD2 PHE A 85 -1.037 -2.183 6.355 1.00 45.31 C ATOM 528 CE1 PHE A 85 -2.240 -2.395 3.877 1.00 55.13 C ATOM 529 CE2 PHE A 85 -0.378 -2.810 5.323 1.00 61.22 C ATOM 530 CZ PHE A 85 -0.979 -2.917 4.081 1.00 34.00 C ATOM 0 H PHE A 85 -4.065 -0.458 9.497 1.00 53.22 H new ATOM 0 HA PHE A 85 -4.937 -1.901 7.236 1.00 5.44 H new ATOM 0 HB2 PHE A 85 -3.447 -0.042 6.968 1.00 24.53 H new ATOM 0 HB3 PHE A 85 -2.278 -0.720 8.084 1.00 24.53 H new ATOM 0 HD1 PHE A 85 -3.888 -1.360 4.746 1.00 74.41 H new ATOM 0 HD2 PHE A 85 -0.562 -2.103 7.321 1.00 45.31 H new ATOM 0 HE1 PHE A 85 -2.709 -2.479 2.908 1.00 55.13 H new ATOM 0 HE2 PHE A 85 0.609 -3.219 5.482 1.00 61.22 H new ATOM 0 HZ PHE A 85 -0.461 -3.409 3.271 1.00 34.00 H new ATOM 540 N THR A 86 -2.714 -3.397 9.151 1.00 52.23 N ATOM 541 CA THR A 86 -2.162 -4.700 9.448 1.00 32.33 C ATOM 542 C THR A 86 -3.197 -5.587 10.119 1.00 50.11 C ATOM 543 O THR A 86 -3.132 -6.804 10.007 1.00 30.31 O ATOM 544 CB THR A 86 -0.825 -4.653 10.253 1.00 4.45 C ATOM 545 OG1 THR A 86 -0.355 -5.987 10.534 1.00 62.35 O ATOM 546 CG2 THR A 86 -0.976 -3.888 11.544 1.00 4.42 C ATOM 0 H THR A 86 -2.338 -2.636 9.716 1.00 52.23 H new ATOM 0 HA THR A 86 -1.898 -5.144 8.488 1.00 32.33 H new ATOM 0 HB THR A 86 -0.094 -4.134 9.633 1.00 4.45 H new ATOM 0 HG1 THR A 86 0.484 -5.939 11.038 1.00 62.35 H new ATOM 0 HG21 THR A 86 -0.024 -3.878 12.075 1.00 4.42 H new ATOM 0 HG22 THR A 86 -1.281 -2.864 11.327 1.00 4.42 H new ATOM 0 HG23 THR A 86 -1.733 -4.368 12.165 1.00 4.42 H new ATOM 554 N PHE A 87 -4.152 -4.971 10.792 1.00 31.45 N ATOM 555 CA PHE A 87 -5.243 -5.695 11.389 1.00 42.31 C ATOM 556 C PHE A 87 -6.084 -6.340 10.306 1.00 1.22 C ATOM 557 O PHE A 87 -6.287 -7.553 10.312 1.00 35.53 O ATOM 558 CB PHE A 87 -6.097 -4.781 12.301 1.00 52.11 C ATOM 559 CG PHE A 87 -7.458 -5.333 12.625 1.00 33.50 C ATOM 560 CD1 PHE A 87 -7.606 -6.608 13.141 1.00 44.41 C ATOM 561 CD2 PHE A 87 -8.587 -4.571 12.408 1.00 64.35 C ATOM 562 CE1 PHE A 87 -8.853 -7.113 13.427 1.00 34.42 C ATOM 563 CE2 PHE A 87 -9.840 -5.069 12.694 1.00 53.35 C ATOM 564 CZ PHE A 87 -9.975 -6.342 13.205 1.00 72.12 C ATOM 0 H PHE A 87 -4.187 -3.962 10.936 1.00 31.45 H new ATOM 0 HA PHE A 87 -4.833 -6.480 12.024 1.00 42.31 H new ATOM 0 HB2 PHE A 87 -5.556 -4.608 13.232 1.00 52.11 H new ATOM 0 HB3 PHE A 87 -6.216 -3.812 11.816 1.00 52.11 H new ATOM 0 HD1 PHE A 87 -6.731 -7.215 13.322 1.00 44.41 H new ATOM 0 HD2 PHE A 87 -8.488 -3.572 12.009 1.00 64.35 H new ATOM 0 HE1 PHE A 87 -8.954 -8.112 13.825 1.00 34.42 H new ATOM 0 HE2 PHE A 87 -10.716 -4.462 12.518 1.00 53.35 H new ATOM 0 HZ PHE A 87 -10.956 -6.734 13.431 1.00 72.12 H new ATOM 574 N HIS A 88 -6.528 -5.547 9.348 1.00 53.11 N ATOM 575 CA HIS A 88 -7.364 -6.083 8.307 1.00 75.32 C ATOM 576 C HIS A 88 -6.541 -6.977 7.386 1.00 71.20 C ATOM 577 O HIS A 88 -7.053 -7.875 6.792 1.00 74.33 O ATOM 578 CB HIS A 88 -8.193 -4.999 7.561 1.00 30.41 C ATOM 579 CG HIS A 88 -7.593 -4.394 6.322 1.00 64.32 C ATOM 580 ND1 HIS A 88 -6.866 -3.230 6.303 1.00 14.14 N ATOM 581 CD2 HIS A 88 -7.686 -4.810 5.033 1.00 14.31 C ATOM 582 CE1 HIS A 88 -6.545 -2.956 5.040 1.00 63.43 C ATOM 583 NE2 HIS A 88 -7.028 -3.909 4.198 1.00 61.43 N ATOM 0 H HIS A 88 -6.325 -4.550 9.274 1.00 53.11 H new ATOM 0 HA HIS A 88 -8.125 -6.709 8.773 1.00 75.32 H new ATOM 0 HB2 HIS A 88 -9.153 -5.438 7.289 1.00 30.41 H new ATOM 0 HB3 HIS A 88 -8.399 -4.191 8.263 1.00 30.41 H new ATOM 0 HD1 HIS A 88 -6.614 -2.670 7.118 1.00 14.14 H new ATOM 0 HD2 HIS A 88 -8.194 -5.705 4.704 1.00 14.31 H new ATOM 0 HE1 HIS A 88 -5.977 -2.093 4.726 1.00 63.43 H new ATOM 591 N VAL A 89 -5.263 -6.696 7.274 1.00 54.25 N ATOM 592 CA VAL A 89 -4.379 -7.522 6.484 1.00 71.25 C ATOM 593 C VAL A 89 -4.239 -8.883 7.117 1.00 23.30 C ATOM 594 O VAL A 89 -4.548 -9.846 6.504 1.00 70.13 O ATOM 595 CB VAL A 89 -2.982 -6.885 6.261 1.00 60.12 C ATOM 596 CG1 VAL A 89 -2.007 -7.888 5.652 1.00 73.43 C ATOM 597 CG2 VAL A 89 -3.087 -5.691 5.340 1.00 41.35 C ATOM 0 H VAL A 89 -4.811 -5.899 7.722 1.00 54.25 H new ATOM 0 HA VAL A 89 -4.836 -7.617 5.499 1.00 71.25 H new ATOM 0 HB VAL A 89 -2.609 -6.571 7.236 1.00 60.12 H new ATOM 0 HG11 VAL A 89 -1.037 -7.411 5.508 1.00 73.43 H new ATOM 0 HG12 VAL A 89 -1.896 -8.741 6.322 1.00 73.43 H new ATOM 0 HG13 VAL A 89 -2.390 -8.230 4.690 1.00 73.43 H new ATOM 0 HG21 VAL A 89 -2.098 -5.256 5.194 1.00 41.35 H new ATOM 0 HG22 VAL A 89 -3.490 -6.008 4.378 1.00 41.35 H new ATOM 0 HG23 VAL A 89 -3.749 -4.947 5.783 1.00 41.35 H new ATOM 607 N ASP A 90 -3.878 -8.940 8.382 1.00 1.54 N ATOM 608 CA ASP A 90 -3.651 -10.235 9.041 1.00 12.02 C ATOM 609 C ASP A 90 -4.949 -11.027 9.128 1.00 63.40 C ATOM 610 O ASP A 90 -4.956 -12.258 9.149 1.00 55.14 O ATOM 611 CB ASP A 90 -3.064 -10.038 10.440 1.00 60.32 C ATOM 612 CG ASP A 90 -2.636 -11.338 11.081 1.00 62.54 C ATOM 613 OD1 ASP A 90 -1.488 -11.778 10.825 1.00 33.41 O ATOM 614 OD2 ASP A 90 -3.414 -11.932 11.868 1.00 13.51 O ATOM 0 H ASP A 90 -3.734 -8.125 8.978 1.00 1.54 H new ATOM 0 HA ASP A 90 -2.936 -10.797 8.440 1.00 12.02 H new ATOM 0 HB2 ASP A 90 -2.206 -9.368 10.379 1.00 60.32 H new ATOM 0 HB3 ASP A 90 -3.804 -9.551 11.075 1.00 60.32 H new ATOM 619 N SER A 91 -6.038 -10.313 9.133 1.00 72.04 N ATOM 620 CA SER A 91 -7.327 -10.918 9.238 1.00 64.23 C ATOM 621 C SER A 91 -7.887 -11.315 7.854 1.00 64.53 C ATOM 622 O SER A 91 -8.354 -12.444 7.661 1.00 14.23 O ATOM 623 CB SER A 91 -8.273 -9.942 9.950 1.00 32.12 C ATOM 624 OG SER A 91 -9.522 -10.535 10.271 1.00 33.44 O ATOM 0 H SER A 91 -6.053 -9.295 9.064 1.00 72.04 H new ATOM 0 HA SER A 91 -7.240 -11.837 9.817 1.00 64.23 H new ATOM 0 HB2 SER A 91 -7.799 -9.583 10.863 1.00 32.12 H new ATOM 0 HB3 SER A 91 -8.440 -9.073 9.314 1.00 32.12 H new ATOM 0 HG SER A 91 -10.073 -10.595 9.463 1.00 33.44 H new ATOM 630 N GLU A 92 -7.809 -10.417 6.891 1.00 73.03 N ATOM 631 CA GLU A 92 -8.491 -10.626 5.615 1.00 23.14 C ATOM 632 C GLU A 92 -7.539 -11.055 4.510 1.00 71.23 C ATOM 633 O GLU A 92 -7.960 -11.691 3.537 1.00 50.31 O ATOM 634 CB GLU A 92 -9.246 -9.360 5.178 1.00 22.23 C ATOM 635 CG GLU A 92 -10.138 -8.747 6.255 1.00 15.30 C ATOM 636 CD GLU A 92 -11.153 -9.707 6.821 1.00 41.31 C ATOM 637 OE1 GLU A 92 -12.192 -9.966 6.156 1.00 40.43 O ATOM 638 OE2 GLU A 92 -10.966 -10.192 7.960 1.00 44.12 O ATOM 0 H GLU A 92 -7.288 -9.543 6.960 1.00 73.03 H new ATOM 0 HA GLU A 92 -9.203 -11.435 5.778 1.00 23.14 H new ATOM 0 HB2 GLU A 92 -8.520 -8.613 4.858 1.00 22.23 H new ATOM 0 HB3 GLU A 92 -9.860 -9.601 4.310 1.00 22.23 H new ATOM 0 HG2 GLU A 92 -9.511 -8.376 7.066 1.00 15.30 H new ATOM 0 HG3 GLU A 92 -10.659 -7.886 5.836 1.00 15.30 H new ATOM 645 N HIS A 93 -6.271 -10.722 4.648 1.00 45.42 N ATOM 646 CA HIS A 93 -5.266 -11.076 3.627 1.00 42.02 C ATOM 647 C HIS A 93 -3.995 -11.627 4.321 1.00 4.35 C ATOM 648 O HIS A 93 -2.896 -11.096 4.110 1.00 14.14 O ATOM 649 CB HIS A 93 -4.828 -9.843 2.791 1.00 24.33 C ATOM 650 CG HIS A 93 -5.818 -8.716 2.602 1.00 55.42 C ATOM 651 ND1 HIS A 93 -6.987 -8.814 1.893 1.00 24.13 N ATOM 652 CD2 HIS A 93 -5.742 -7.420 3.023 1.00 64.20 C ATOM 653 CE1 HIS A 93 -7.579 -7.619 1.893 1.00 64.24 C ATOM 654 NE2 HIS A 93 -6.854 -6.711 2.574 1.00 45.20 N ATOM 0 H HIS A 93 -5.899 -10.209 5.448 1.00 45.42 H new ATOM 0 HA HIS A 93 -5.725 -11.816 2.971 1.00 42.02 H new ATOM 0 HB2 HIS A 93 -3.935 -9.426 3.256 1.00 24.33 H new ATOM 0 HB3 HIS A 93 -4.536 -10.198 1.803 1.00 24.33 H new ATOM 0 HD2 HIS A 93 -4.940 -7.006 3.616 1.00 64.20 H new ATOM 0 HE1 HIS A 93 -8.520 -7.406 1.408 1.00 64.24 H new ATOM 0 HE2 HIS A 93 -7.070 -5.726 2.727 1.00 45.20 H new ATOM 755 N SER A 100 4.067 -9.786 -9.208 1.00 3.55 N ATOM 756 CA SER A 100 5.093 -8.840 -8.851 1.00 40.33 C ATOM 757 C SER A 100 4.417 -7.484 -8.625 1.00 62.01 C ATOM 758 O SER A 100 3.536 -7.079 -9.391 1.00 1.13 O ATOM 759 CB SER A 100 6.116 -8.739 -9.994 1.00 62.42 C ATOM 760 OG SER A 100 6.608 -10.032 -10.375 1.00 44.54 O ATOM 0 HA SER A 100 5.615 -9.155 -7.948 1.00 40.33 H new ATOM 0 HB2 SER A 100 5.654 -8.256 -10.855 1.00 62.42 H new ATOM 0 HB3 SER A 100 6.949 -8.109 -9.683 1.00 62.42 H new ATOM 0 HG SER A 100 5.966 -10.720 -10.101 1.00 44.54 H new ATOM 766 N SER A 101 4.775 -6.836 -7.544 1.00 2.33 N ATOM 767 CA SER A 101 4.177 -5.629 -7.096 1.00 50.44 C ATOM 768 C SER A 101 5.164 -4.888 -6.209 1.00 72.22 C ATOM 769 O SER A 101 6.263 -5.404 -5.938 1.00 15.40 O ATOM 770 CB SER A 101 2.902 -5.959 -6.332 1.00 62.24 C ATOM 771 OG SER A 101 1.927 -6.533 -7.192 1.00 63.53 O ATOM 0 H SER A 101 5.526 -7.160 -6.934 1.00 2.33 H new ATOM 0 HA SER A 101 3.921 -4.992 -7.942 1.00 50.44 H new ATOM 0 HB2 SER A 101 3.129 -6.651 -5.521 1.00 62.24 H new ATOM 0 HB3 SER A 101 2.502 -5.053 -5.876 1.00 62.24 H new ATOM 0 HG SER A 101 1.927 -7.507 -7.083 1.00 63.53 H new ATOM 777 N TYR A 102 4.789 -3.703 -5.778 1.00 4.50 N ATOM 778 CA TYR A 102 5.637 -2.858 -4.974 1.00 70.10 C ATOM 779 C TYR A 102 5.020 -2.587 -3.629 1.00 35.24 C ATOM 780 O TYR A 102 3.798 -2.385 -3.516 1.00 55.21 O ATOM 781 CB TYR A 102 5.899 -1.557 -5.682 1.00 33.14 C ATOM 782 CG TYR A 102 7.167 -1.487 -6.515 1.00 30.00 C ATOM 783 CD1 TYR A 102 7.590 -2.540 -7.313 1.00 53.13 C ATOM 784 CD2 TYR A 102 7.950 -0.346 -6.483 1.00 31.41 C ATOM 785 CE1 TYR A 102 8.753 -2.447 -8.059 1.00 4.33 C ATOM 786 CE2 TYR A 102 9.108 -0.250 -7.223 1.00 61.32 C ATOM 787 CZ TYR A 102 9.504 -1.299 -8.006 1.00 54.23 C ATOM 788 OH TYR A 102 10.668 -1.203 -8.742 1.00 30.33 O ATOM 0 H TYR A 102 3.875 -3.297 -5.980 1.00 4.50 H new ATOM 0 HA TYR A 102 6.580 -3.383 -4.821 1.00 70.10 H new ATOM 0 HB2 TYR A 102 5.050 -1.345 -6.332 1.00 33.14 H new ATOM 0 HB3 TYR A 102 5.936 -0.763 -4.936 1.00 33.14 H new ATOM 0 HD1 TYR A 102 7.003 -3.446 -7.353 1.00 53.13 H new ATOM 0 HD2 TYR A 102 7.647 0.486 -5.865 1.00 31.41 H new ATOM 0 HE1 TYR A 102 9.068 -3.273 -8.679 1.00 4.33 H new ATOM 0 HE2 TYR A 102 9.702 0.651 -7.185 1.00 61.32 H new ATOM 0 HH TYR A 102 11.078 -0.326 -8.593 1.00 30.33 H new ATOM 798 N VAL A 103 5.848 -2.603 -2.622 1.00 52.34 N ATOM 799 CA VAL A 103 5.442 -2.374 -1.264 1.00 45.30 C ATOM 800 C VAL A 103 6.354 -1.322 -0.612 1.00 52.13 C ATOM 801 O VAL A 103 7.545 -1.289 -0.852 1.00 60.44 O ATOM 802 CB VAL A 103 5.503 -3.724 -0.471 1.00 15.22 C ATOM 803 CG1 VAL A 103 6.850 -4.273 -0.493 1.00 73.12 C ATOM 804 CG2 VAL A 103 5.072 -3.622 0.952 1.00 1.14 C ATOM 0 H VAL A 103 6.847 -2.780 -2.725 1.00 52.34 H new ATOM 0 HA VAL A 103 4.419 -1.997 -1.247 1.00 45.30 H new ATOM 0 HB VAL A 103 4.797 -4.377 -0.983 1.00 15.22 H new ATOM 0 HG11 VAL A 103 6.870 -5.210 0.063 1.00 73.12 H new ATOM 0 HG12 VAL A 103 7.151 -4.457 -1.524 1.00 73.12 H new ATOM 0 HG13 VAL A 103 7.539 -3.564 -0.034 1.00 73.12 H new ATOM 0 HG21 VAL A 103 5.145 -4.601 1.425 1.00 1.14 H new ATOM 0 HG22 VAL A 103 5.715 -2.916 1.477 1.00 1.14 H new ATOM 0 HG23 VAL A 103 4.040 -3.274 0.996 1.00 1.14 H new ATOM 814 N CYS A 104 5.785 -0.460 0.168 1.00 70.00 N ATOM 815 CA CYS A 104 6.563 0.492 0.932 1.00 65.14 C ATOM 816 C CYS A 104 6.987 -0.241 2.139 1.00 32.23 C ATOM 817 O CYS A 104 6.163 -0.535 2.936 1.00 34.41 O ATOM 818 CB CYS A 104 5.673 1.701 1.314 1.00 71.10 C ATOM 819 SG CYS A 104 6.363 2.990 2.500 1.00 14.04 S ATOM 0 H CYS A 104 4.776 -0.387 0.301 1.00 70.00 H new ATOM 0 HA CYS A 104 7.416 0.880 0.376 1.00 65.14 H new ATOM 0 HB2 CYS A 104 5.398 2.213 0.392 1.00 71.10 H new ATOM 0 HB3 CYS A 104 4.753 1.310 1.749 1.00 71.10 H new ATOM 0 HG CYS A 104 5.705 2.945 3.621 1.00 14.04 H new ATOM 824 N VAL A 105 8.249 -0.612 2.228 1.00 62.10 N ATOM 825 CA VAL A 105 8.771 -1.360 3.378 1.00 22.14 C ATOM 826 C VAL A 105 8.550 -0.593 4.649 1.00 70.03 C ATOM 827 O VAL A 105 8.301 -1.174 5.692 1.00 13.11 O ATOM 828 CB VAL A 105 10.274 -1.614 3.280 1.00 12.20 C ATOM 829 CG1 VAL A 105 10.582 -3.008 3.579 1.00 64.34 C ATOM 830 CG2 VAL A 105 10.826 -1.244 1.960 1.00 71.35 C ATOM 0 H VAL A 105 8.948 -0.409 1.513 1.00 62.10 H new ATOM 0 HA VAL A 105 8.236 -2.310 3.379 1.00 22.14 H new ATOM 0 HB VAL A 105 10.749 -0.973 4.022 1.00 12.20 H new ATOM 0 HG11 VAL A 105 11.658 -3.167 3.503 1.00 64.34 H new ATOM 0 HG12 VAL A 105 10.250 -3.245 4.590 1.00 64.34 H new ATOM 0 HG13 VAL A 105 10.069 -3.655 2.867 1.00 64.34 H new ATOM 0 HG21 VAL A 105 11.897 -1.445 1.944 1.00 71.35 H new ATOM 0 HG22 VAL A 105 10.336 -1.831 1.183 1.00 71.35 H new ATOM 0 HG23 VAL A 105 10.653 -0.183 1.777 1.00 71.35 H new ATOM 840 N GLU A 106 8.608 0.721 4.522 1.00 1.50 N ATOM 841 CA GLU A 106 8.423 1.645 5.626 1.00 12.32 C ATOM 842 C GLU A 106 7.085 1.380 6.289 1.00 33.12 C ATOM 843 O GLU A 106 6.966 1.357 7.502 1.00 5.34 O ATOM 844 CB GLU A 106 8.412 3.075 5.095 1.00 24.45 C ATOM 845 CG GLU A 106 9.629 3.485 4.281 1.00 42.20 C ATOM 846 CD GLU A 106 10.875 3.636 5.104 1.00 65.03 C ATOM 847 OE1 GLU A 106 10.776 3.611 6.353 1.00 54.43 O ATOM 848 OE2 GLU A 106 11.965 3.830 4.511 1.00 14.13 O ATOM 0 H GLU A 106 8.789 1.184 3.631 1.00 1.50 H new ATOM 0 HA GLU A 106 9.235 1.511 6.341 1.00 12.32 H new ATOM 0 HB2 GLU A 106 7.523 3.207 4.478 1.00 24.45 H new ATOM 0 HB3 GLU A 106 8.317 3.756 5.940 1.00 24.45 H new ATOM 0 HG2 GLU A 106 9.804 2.741 3.504 1.00 42.20 H new ATOM 0 HG3 GLU A 106 9.419 4.429 3.778 1.00 42.20 H new ATOM 855 N CYS A 107 6.097 1.161 5.469 1.00 33.30 N ATOM 856 CA CYS A 107 4.743 0.929 5.966 1.00 33.50 C ATOM 857 C CYS A 107 4.360 -0.550 5.880 1.00 60.43 C ATOM 858 O CYS A 107 3.368 -0.978 6.456 1.00 41.15 O ATOM 859 CB CYS A 107 3.793 1.724 5.100 1.00 30.42 C ATOM 860 SG CYS A 107 4.383 3.427 4.743 1.00 64.15 S ATOM 0 H CYS A 107 6.188 1.135 4.453 1.00 33.30 H new ATOM 0 HA CYS A 107 4.691 1.233 7.012 1.00 33.50 H new ATOM 0 HB2 CYS A 107 3.642 1.195 4.159 1.00 30.42 H new ATOM 0 HB3 CYS A 107 2.823 1.780 5.594 1.00 30.42 H new ATOM 0 HG CYS A 107 4.497 3.586 3.458 1.00 64.15 H new ATOM 865 N ASN A 108 5.179 -1.306 5.170 1.00 55.13 N ATOM 866 CA ASN A 108 4.898 -2.692 4.800 1.00 13.35 C ATOM 867 C ASN A 108 3.536 -2.817 4.121 1.00 13.12 C ATOM 868 O ASN A 108 2.731 -3.688 4.450 1.00 2.22 O ATOM 869 CB ASN A 108 5.032 -3.636 5.980 1.00 10.34 C ATOM 870 CG ASN A 108 6.449 -4.040 6.296 1.00 72.44 C ATOM 871 OD1 ASN A 108 6.783 -4.310 7.437 1.00 3.24 O ATOM 872 ND2 ASN A 108 7.285 -4.143 5.296 1.00 21.34 N ATOM 0 H ASN A 108 6.078 -0.971 4.825 1.00 55.13 H new ATOM 0 HA ASN A 108 5.654 -2.994 4.075 1.00 13.35 H new ATOM 0 HB2 ASN A 108 4.597 -3.162 6.860 1.00 10.34 H new ATOM 0 HB3 ASN A 108 4.447 -4.534 5.780 1.00 10.34 H new ATOM 0 HD21 ASN A 108 8.242 -4.455 5.461 1.00 21.34 H new ATOM 0 HD22 ASN A 108 6.980 -3.911 4.351 1.00 21.34 H new ATOM 879 N PHE A 109 3.336 -2.005 3.091 1.00 33.01 N ATOM 880 CA PHE A 109 2.049 -1.939 2.427 1.00 43.33 C ATOM 881 C PHE A 109 2.224 -2.154 0.946 1.00 50.02 C ATOM 882 O PHE A 109 3.004 -1.441 0.288 1.00 11.24 O ATOM 883 CB PHE A 109 1.287 -0.609 2.740 1.00 1.34 C ATOM 884 CG PHE A 109 1.238 0.461 1.651 1.00 33.22 C ATOM 885 CD1 PHE A 109 0.217 0.462 0.727 1.00 10.35 C ATOM 886 CD2 PHE A 109 2.184 1.454 1.575 1.00 1.52 C ATOM 887 CE1 PHE A 109 0.139 1.445 -0.251 1.00 21.14 C ATOM 888 CE2 PHE A 109 2.110 2.441 0.590 1.00 25.54 C ATOM 889 CZ PHE A 109 1.085 2.434 -0.315 1.00 61.44 C ATOM 0 H PHE A 109 4.048 -1.387 2.701 1.00 33.01 H new ATOM 0 HA PHE A 109 1.423 -2.740 2.820 1.00 43.33 H new ATOM 0 HB2 PHE A 109 0.261 -0.866 3.003 1.00 1.34 H new ATOM 0 HB3 PHE A 109 1.741 -0.164 3.625 1.00 1.34 H new ATOM 0 HD1 PHE A 109 -0.534 -0.313 0.763 1.00 10.35 H new ATOM 0 HD2 PHE A 109 2.996 1.472 2.287 1.00 1.52 H new ATOM 0 HE1 PHE A 109 -0.671 1.430 -0.965 1.00 21.14 H new ATOM 0 HE2 PHE A 109 2.865 3.212 0.543 1.00 25.54 H new ATOM 0 HZ PHE A 109 1.022 3.201 -1.073 1.00 61.44 H new ATOM 899 N LEU A 110 1.562 -3.150 0.449 1.00 23.51 N ATOM 900 CA LEU A 110 1.596 -3.492 -0.946 1.00 0.41 C ATOM 901 C LEU A 110 0.485 -2.795 -1.556 1.00 45.13 C ATOM 902 O LEU A 110 -0.598 -2.829 -1.010 1.00 14.14 O ATOM 903 CB LEU A 110 1.412 -4.983 -1.177 1.00 63.34 C ATOM 904 CG LEU A 110 2.665 -5.818 -1.335 1.00 33.02 C ATOM 905 CD1 LEU A 110 2.296 -7.277 -1.275 1.00 72.34 C ATOM 906 CD2 LEU A 110 3.298 -5.523 -2.688 1.00 21.12 C ATOM 0 H LEU A 110 0.970 -3.763 1.009 1.00 23.51 H new ATOM 0 HA LEU A 110 2.563 -3.216 -1.367 1.00 0.41 H new ATOM 0 HB2 LEU A 110 0.840 -5.386 -0.341 1.00 63.34 H new ATOM 0 HB3 LEU A 110 0.804 -5.114 -2.072 1.00 63.34 H new ATOM 0 HG LEU A 110 3.369 -5.579 -0.538 1.00 33.02 H new ATOM 0 HD11 LEU A 110 3.194 -7.884 -1.388 1.00 72.34 H new ATOM 0 HD12 LEU A 110 1.829 -7.495 -0.314 1.00 72.34 H new ATOM 0 HD13 LEU A 110 1.597 -7.509 -2.079 1.00 72.34 H new ATOM 0 HD21 LEU A 110 4.201 -6.122 -2.806 1.00 21.12 H new ATOM 0 HD22 LEU A 110 2.592 -5.770 -3.481 1.00 21.12 H new ATOM 0 HD23 LEU A 110 3.555 -4.465 -2.747 1.00 21.12 H new ATOM 918 N THR A 111 0.704 -2.193 -2.658 1.00 4.14 N ATOM 919 CA THR A 111 -0.316 -1.414 -3.239 1.00 40.43 C ATOM 920 C THR A 111 -0.583 -1.822 -4.671 1.00 44.43 C ATOM 921 O THR A 111 0.249 -2.484 -5.313 1.00 34.34 O ATOM 922 CB THR A 111 0.035 0.058 -3.085 1.00 71.14 C ATOM 923 OG1 THR A 111 -0.953 0.930 -3.648 1.00 41.14 O ATOM 924 CG2 THR A 111 1.424 0.362 -3.604 1.00 24.42 C ATOM 0 H THR A 111 1.581 -2.224 -3.178 1.00 4.14 H new ATOM 0 HA THR A 111 -1.256 -1.589 -2.716 1.00 40.43 H new ATOM 0 HB THR A 111 0.038 0.261 -2.014 1.00 71.14 H new ATOM 0 HG1 THR A 111 -1.846 0.632 -3.376 1.00 41.14 H new ATOM 0 HG21 THR A 111 1.636 1.423 -3.476 1.00 24.42 H new ATOM 0 HG22 THR A 111 2.156 -0.224 -3.049 1.00 24.42 H new ATOM 0 HG23 THR A 111 1.481 0.106 -4.662 1.00 24.42 H new ATOM 932 N LYS A 112 -1.744 -1.446 -5.157 1.00 44.35 N ATOM 933 CA LYS A 112 -2.217 -1.860 -6.448 1.00 4.45 C ATOM 934 C LYS A 112 -1.597 -1.061 -7.646 1.00 23.02 C ATOM 935 O LYS A 112 -1.904 -1.335 -8.808 1.00 20.23 O ATOM 936 CB LYS A 112 -3.770 -1.910 -6.419 1.00 72.14 C ATOM 937 CG LYS A 112 -4.444 -2.451 -7.667 1.00 54.30 C ATOM 938 CD LYS A 112 -5.807 -3.126 -7.390 1.00 4.50 C ATOM 939 CE LYS A 112 -6.901 -2.215 -6.801 1.00 21.01 C ATOM 940 NZ LYS A 112 -6.733 -1.870 -5.352 1.00 32.14 N ATOM 0 H LYS A 112 -2.391 -0.836 -4.657 1.00 44.35 H new ATOM 0 HA LYS A 112 -1.856 -2.868 -6.650 1.00 4.45 H new ATOM 0 HB2 LYS A 112 -4.078 -2.521 -5.571 1.00 72.14 H new ATOM 0 HB3 LYS A 112 -4.142 -0.902 -6.238 1.00 72.14 H new ATOM 0 HG2 LYS A 112 -4.589 -1.635 -8.374 1.00 54.30 H new ATOM 0 HG3 LYS A 112 -3.781 -3.172 -8.144 1.00 54.30 H new ATOM 0 HD2 LYS A 112 -6.177 -3.549 -8.324 1.00 4.50 H new ATOM 0 HD3 LYS A 112 -5.646 -3.958 -6.704 1.00 4.50 H new ATOM 0 HE2 LYS A 112 -6.930 -1.290 -7.377 1.00 21.01 H new ATOM 0 HE3 LYS A 112 -7.867 -2.703 -6.932 1.00 21.01 H new ATOM 0 HZ1 LYS A 112 -7.657 -1.623 -4.944 1.00 32.14 H new ATOM 0 HZ2 LYS A 112 -6.338 -2.687 -4.844 1.00 32.14 H new ATOM 0 HZ3 LYS A 112 -6.087 -1.060 -5.261 1.00 32.14 H new ATOM 954 N ARG A 113 -0.690 -0.117 -7.375 1.00 33.30 N ATOM 955 CA ARG A 113 0.030 0.555 -8.471 1.00 2.54 C ATOM 956 C ARG A 113 1.365 1.101 -7.988 1.00 75.53 C ATOM 957 O ARG A 113 1.524 1.396 -6.802 1.00 72.22 O ATOM 958 CB ARG A 113 -0.787 1.667 -9.193 1.00 0.14 C ATOM 959 CG ARG A 113 -0.863 3.042 -8.510 1.00 51.42 C ATOM 960 CD ARG A 113 -1.592 3.015 -7.200 1.00 43.25 C ATOM 961 NE ARG A 113 -2.941 2.485 -7.334 1.00 3.12 N ATOM 962 CZ ARG A 113 -3.612 1.946 -6.339 1.00 72.51 C ATOM 963 NH1 ARG A 113 -3.035 1.821 -5.178 1.00 70.22 N ATOM 964 NH2 ARG A 113 -4.839 1.483 -6.517 1.00 14.23 N ATOM 0 H ARG A 113 -0.439 0.195 -6.437 1.00 33.30 H new ATOM 0 HA ARG A 113 0.200 -0.218 -9.220 1.00 2.54 H new ATOM 0 HB2 ARG A 113 -0.361 1.807 -10.187 1.00 0.14 H new ATOM 0 HB3 ARG A 113 -1.805 1.302 -9.331 1.00 0.14 H new ATOM 0 HG2 ARG A 113 0.148 3.415 -8.347 1.00 51.42 H new ATOM 0 HG3 ARG A 113 -1.359 3.745 -9.179 1.00 51.42 H new ATOM 0 HD2 ARG A 113 -1.034 2.408 -6.488 1.00 43.25 H new ATOM 0 HD3 ARG A 113 -1.639 4.024 -6.791 1.00 43.25 H new ATOM 0 HE ARG A 113 -3.390 2.534 -8.248 1.00 3.12 H new ATOM 0 HH11 ARG A 113 -2.075 2.139 -5.049 1.00 70.22 H new ATOM 0 HH12 ARG A 113 -3.544 1.405 -4.398 1.00 70.22 H new ATOM 0 HH21 ARG A 113 -5.278 1.541 -7.436 1.00 14.23 H new ATOM 0 HH22 ARG A 113 -5.346 1.068 -5.735 1.00 14.23 H new ATOM 978 N TYR A 114 2.286 1.291 -8.919 1.00 22.13 N ATOM 979 CA TYR A 114 3.646 1.737 -8.626 1.00 60.12 C ATOM 980 C TYR A 114 3.666 3.178 -8.148 1.00 13.44 C ATOM 981 O TYR A 114 4.514 3.561 -7.333 1.00 52.43 O ATOM 982 CB TYR A 114 4.550 1.578 -9.861 1.00 21.34 C ATOM 983 CG TYR A 114 4.776 0.140 -10.286 1.00 4.31 C ATOM 984 CD1 TYR A 114 3.817 -0.560 -11.010 1.00 21.45 C ATOM 985 CD2 TYR A 114 5.952 -0.512 -9.959 1.00 72.23 C ATOM 986 CE1 TYR A 114 4.029 -1.870 -11.388 1.00 10.33 C ATOM 987 CE2 TYR A 114 6.169 -1.821 -10.337 1.00 44.42 C ATOM 988 CZ TYR A 114 5.210 -2.494 -11.048 1.00 52.44 C ATOM 989 OH TYR A 114 5.429 -3.797 -11.425 1.00 21.31 O ATOM 0 H TYR A 114 2.112 1.139 -9.912 1.00 22.13 H new ATOM 0 HA TYR A 114 4.031 1.107 -7.824 1.00 60.12 H new ATOM 0 HB2 TYR A 114 4.108 2.126 -10.693 1.00 21.34 H new ATOM 0 HB3 TYR A 114 5.515 2.039 -9.652 1.00 21.34 H new ATOM 0 HD1 TYR A 114 2.893 -0.071 -11.280 1.00 21.45 H new ATOM 0 HD2 TYR A 114 6.712 0.012 -9.399 1.00 72.23 H new ATOM 0 HE1 TYR A 114 3.274 -2.403 -11.947 1.00 10.33 H new ATOM 0 HE2 TYR A 114 7.093 -2.314 -10.073 1.00 44.42 H new ATOM 0 HH TYR A 114 6.310 -4.086 -11.107 1.00 21.31 H new ATOM 999 N ASP A 115 2.718 3.963 -8.643 1.00 32.11 N ATOM 1000 CA ASP A 115 2.574 5.387 -8.274 1.00 74.02 C ATOM 1001 C ASP A 115 2.538 5.594 -6.786 1.00 73.33 C ATOM 1002 O ASP A 115 3.232 6.439 -6.278 1.00 52.30 O ATOM 1003 CB ASP A 115 1.311 6.034 -8.886 1.00 2.04 C ATOM 1004 CG ASP A 115 1.394 6.360 -10.358 1.00 11.02 C ATOM 1005 OD1 ASP A 115 1.495 5.440 -11.187 1.00 33.33 O ATOM 1006 OD2 ASP A 115 1.346 7.545 -10.707 1.00 52.42 O ATOM 0 H ASP A 115 2.020 3.641 -9.314 1.00 32.11 H new ATOM 0 HA ASP A 115 3.460 5.872 -8.684 1.00 74.02 H new ATOM 0 HB2 ASP A 115 0.467 5.362 -8.728 1.00 2.04 H new ATOM 0 HB3 ASP A 115 1.094 6.952 -8.340 1.00 2.04 H new ATOM 1011 N ALA A 116 1.805 4.747 -6.083 1.00 12.41 N ATOM 1012 CA ALA A 116 1.562 4.934 -4.654 1.00 52.45 C ATOM 1013 C ALA A 116 2.848 4.914 -3.835 1.00 35.23 C ATOM 1014 O ALA A 116 2.894 5.458 -2.748 1.00 35.52 O ATOM 1015 CB ALA A 116 0.583 3.899 -4.156 1.00 30.11 C ATOM 0 H ALA A 116 1.363 3.917 -6.478 1.00 12.41 H new ATOM 0 HA ALA A 116 1.129 5.926 -4.521 1.00 52.45 H new ATOM 0 HB1 ALA A 116 0.408 4.046 -3.090 1.00 30.11 H new ATOM 0 HB2 ALA A 116 -0.359 4.000 -4.695 1.00 30.11 H new ATOM 0 HB3 ALA A 116 0.991 2.902 -4.322 1.00 30.11 H new ATOM 1021 N LEU A 117 3.864 4.264 -4.357 1.00 63.10 N ATOM 1022 CA LEU A 117 5.175 4.203 -3.711 1.00 1.34 C ATOM 1023 C LEU A 117 5.997 5.418 -4.046 1.00 30.04 C ATOM 1024 O LEU A 117 6.772 5.899 -3.234 1.00 34.31 O ATOM 1025 CB LEU A 117 5.972 2.979 -4.127 1.00 20.22 C ATOM 1026 CG LEU A 117 5.332 1.613 -3.926 1.00 41.41 C ATOM 1027 CD1 LEU A 117 4.702 1.486 -2.551 1.00 51.00 C ATOM 1028 CD2 LEU A 117 4.354 1.308 -5.033 1.00 73.32 C ATOM 0 H LEU A 117 3.814 3.759 -5.242 1.00 63.10 H new ATOM 0 HA LEU A 117 4.976 4.154 -2.641 1.00 1.34 H new ATOM 0 HB2 LEU A 117 6.216 3.082 -5.184 1.00 20.22 H new ATOM 0 HB3 LEU A 117 6.914 2.991 -3.579 1.00 20.22 H new ATOM 0 HG LEU A 117 6.121 0.862 -3.975 1.00 41.41 H new ATOM 0 HD11 LEU A 117 4.255 0.497 -2.445 1.00 51.00 H new ATOM 0 HD12 LEU A 117 5.467 1.622 -1.786 1.00 51.00 H new ATOM 0 HD13 LEU A 117 3.931 2.247 -2.432 1.00 51.00 H new ATOM 0 HD21 LEU A 117 3.910 0.326 -4.866 1.00 73.32 H new ATOM 0 HD22 LEU A 117 3.569 2.064 -5.043 1.00 73.32 H new ATOM 0 HD23 LEU A 117 4.875 1.313 -5.990 1.00 73.32 H new ATOM 1040 N SER A 118 5.829 5.892 -5.239 1.00 11.02 N ATOM 1041 CA SER A 118 6.571 7.016 -5.738 1.00 63.12 C ATOM 1042 C SER A 118 6.097 8.287 -5.075 1.00 71.01 C ATOM 1043 O SER A 118 6.879 9.068 -4.542 1.00 12.13 O ATOM 1044 CB SER A 118 6.340 7.087 -7.222 1.00 44.50 C ATOM 1045 OG SER A 118 6.991 6.029 -7.909 1.00 3.23 O ATOM 0 H SER A 118 5.163 5.506 -5.908 1.00 11.02 H new ATOM 0 HA SER A 118 7.633 6.901 -5.522 1.00 63.12 H new ATOM 0 HB2 SER A 118 5.270 7.048 -7.425 1.00 44.50 H new ATOM 0 HB3 SER A 118 6.702 8.043 -7.601 1.00 44.50 H new ATOM 0 HG SER A 118 6.817 6.107 -8.870 1.00 3.23 H new ATOM 1051 N GLU A 119 4.810 8.456 -5.090 1.00 64.04 N ATOM 1052 CA GLU A 119 4.148 9.594 -4.513 1.00 63.23 C ATOM 1053 C GLU A 119 4.158 9.467 -3.005 1.00 31.42 C ATOM 1054 O GLU A 119 3.863 10.401 -2.297 1.00 40.20 O ATOM 1055 CB GLU A 119 2.726 9.752 -5.043 1.00 12.20 C ATOM 1056 CG GLU A 119 2.575 9.262 -6.465 1.00 32.44 C ATOM 1057 CD GLU A 119 1.297 9.692 -7.141 1.00 74.45 C ATOM 1058 OE1 GLU A 119 0.230 9.081 -6.897 1.00 2.31 O ATOM 1059 OE2 GLU A 119 1.337 10.621 -7.966 1.00 61.41 O ATOM 0 H GLU A 119 4.169 7.787 -5.516 1.00 64.04 H new ATOM 0 HA GLU A 119 4.690 10.494 -4.802 1.00 63.23 H new ATOM 0 HB2 GLU A 119 2.040 9.202 -4.399 1.00 12.20 H new ATOM 0 HB3 GLU A 119 2.439 10.802 -4.993 1.00 12.20 H new ATOM 0 HG2 GLU A 119 3.420 9.621 -7.052 1.00 32.44 H new ATOM 0 HG3 GLU A 119 2.625 8.173 -6.468 1.00 32.44 H new ATOM 1066 N HIS A 120 4.386 8.264 -2.539 1.00 32.40 N ATOM 1067 CA HIS A 120 4.416 7.960 -1.116 1.00 55.53 C ATOM 1068 C HIS A 120 5.276 8.969 -0.329 1.00 52.11 C ATOM 1069 O HIS A 120 4.800 9.580 0.545 1.00 54.51 O ATOM 1070 CB HIS A 120 4.948 6.587 -0.896 1.00 64.44 C ATOM 1071 CG HIS A 120 4.567 6.004 0.384 1.00 52.41 C ATOM 1072 ND1 HIS A 120 3.324 5.493 0.655 1.00 11.32 N ATOM 1073 CD2 HIS A 120 5.275 5.865 1.473 1.00 35.01 C ATOM 1074 CE1 HIS A 120 3.315 5.067 1.905 1.00 54.15 C ATOM 1075 NE2 HIS A 120 4.504 5.264 2.468 1.00 30.34 N ATOM 0 H HIS A 120 4.559 7.455 -3.136 1.00 32.40 H new ATOM 0 HA HIS A 120 3.391 8.027 -0.750 1.00 55.53 H new ATOM 0 HB2 HIS A 120 4.596 5.939 -1.698 1.00 64.44 H new ATOM 0 HB3 HIS A 120 6.036 6.614 -0.962 1.00 64.44 H new ATOM 0 HD2 HIS A 120 6.305 6.170 1.586 1.00 35.01 H new ATOM 0 HE1 HIS A 120 2.464 4.622 2.399 1.00 54.15 H new ATOM 0 HE2 HIS A 120 4.789 5.028 3.418 1.00 30.34 H new ATOM 1083 N ASN A 121 6.525 9.139 -0.673 1.00 15.45 N ATOM 1084 CA ASN A 121 7.400 10.144 0.001 1.00 31.14 C ATOM 1085 C ASN A 121 6.940 11.582 -0.265 1.00 5.25 C ATOM 1086 O ASN A 121 7.393 12.521 0.346 1.00 45.43 O ATOM 1087 CB ASN A 121 8.880 9.977 -0.322 1.00 63.10 C ATOM 1088 CG ASN A 121 9.248 10.039 -1.777 1.00 33.42 C ATOM 1089 OD1 ASN A 121 8.552 10.602 -2.610 1.00 43.23 O ATOM 1090 ND2 ASN A 121 10.397 9.549 -2.060 1.00 24.15 N ATOM 0 H ASN A 121 6.987 8.609 -1.412 1.00 15.45 H new ATOM 0 HA ASN A 121 7.292 9.946 1.067 1.00 31.14 H new ATOM 0 HB2 ASN A 121 9.436 10.751 0.206 1.00 63.10 H new ATOM 0 HB3 ASN A 121 9.212 9.018 0.076 1.00 63.10 H new ATOM 0 HD21 ASN A 121 10.762 9.621 -3.010 1.00 24.15 H new ATOM 0 HD22 ASN A 121 10.947 9.087 -1.336 1.00 24.15 H new ATOM 1097 N LEU A 122 6.132 11.740 -1.247 1.00 44.02 N ATOM 1098 CA LEU A 122 5.582 13.018 -1.594 1.00 4.43 C ATOM 1099 C LEU A 122 4.450 13.386 -0.616 1.00 3.21 C ATOM 1100 O LEU A 122 4.456 14.451 -0.004 1.00 53.54 O ATOM 1101 CB LEU A 122 5.116 12.972 -3.081 1.00 32.11 C ATOM 1102 CG LEU A 122 4.009 13.928 -3.531 1.00 42.01 C ATOM 1103 CD1 LEU A 122 4.399 15.385 -3.313 1.00 64.42 C ATOM 1104 CD2 LEU A 122 3.681 13.696 -4.998 1.00 2.33 C ATOM 0 H LEU A 122 5.822 10.978 -1.850 1.00 44.02 H new ATOM 0 HA LEU A 122 6.332 13.804 -1.505 1.00 4.43 H new ATOM 0 HB2 LEU A 122 5.989 13.158 -3.707 1.00 32.11 H new ATOM 0 HB3 LEU A 122 4.782 11.956 -3.292 1.00 32.11 H new ATOM 0 HG LEU A 122 3.128 13.722 -2.923 1.00 42.01 H new ATOM 0 HD11 LEU A 122 3.587 16.032 -3.645 1.00 64.42 H new ATOM 0 HD12 LEU A 122 4.590 15.556 -2.254 1.00 64.42 H new ATOM 0 HD13 LEU A 122 5.299 15.610 -3.885 1.00 64.42 H new ATOM 0 HD21 LEU A 122 2.892 14.382 -5.307 1.00 2.33 H new ATOM 0 HD22 LEU A 122 4.571 13.871 -5.602 1.00 2.33 H new ATOM 0 HD23 LEU A 122 3.344 12.669 -5.137 1.00 2.33 H new ATOM 1116 N LYS A 123 3.513 12.494 -0.450 1.00 35.51 N ATOM 1117 CA LYS A 123 2.341 12.763 0.375 1.00 13.51 C ATOM 1118 C LYS A 123 2.339 12.044 1.716 1.00 71.13 C ATOM 1119 O LYS A 123 1.886 12.574 2.719 1.00 42.43 O ATOM 1120 CB LYS A 123 1.039 12.528 -0.415 1.00 0.44 C ATOM 1121 CG LYS A 123 1.161 11.580 -1.601 1.00 71.14 C ATOM 1122 CD LYS A 123 -0.081 11.596 -2.495 1.00 65.33 C ATOM 1123 CE LYS A 123 -1.364 11.225 -1.747 1.00 34.51 C ATOM 1124 NZ LYS A 123 -2.558 11.260 -2.608 1.00 53.02 N ATOM 0 H LYS A 123 3.528 11.566 -0.873 1.00 35.51 H new ATOM 0 HA LYS A 123 2.397 13.821 0.633 1.00 13.51 H new ATOM 0 HB2 LYS A 123 0.285 12.135 0.267 1.00 0.44 H new ATOM 0 HB3 LYS A 123 0.673 13.489 -0.775 1.00 0.44 H new ATOM 0 HG2 LYS A 123 2.034 11.854 -2.193 1.00 71.14 H new ATOM 0 HG3 LYS A 123 1.329 10.567 -1.236 1.00 71.14 H new ATOM 0 HD2 LYS A 123 -0.195 12.589 -2.930 1.00 65.33 H new ATOM 0 HD3 LYS A 123 0.065 10.901 -3.322 1.00 65.33 H new ATOM 0 HE2 LYS A 123 -1.256 10.226 -1.324 1.00 34.51 H new ATOM 0 HE3 LYS A 123 -1.504 11.912 -0.912 1.00 34.51 H new ATOM 0 HZ1 LYS A 123 -3.326 10.722 -2.158 1.00 53.02 H new ATOM 0 HZ2 LYS A 123 -2.859 12.246 -2.744 1.00 53.02 H new ATOM 0 HZ3 LYS A 123 -2.333 10.836 -3.531 1.00 53.02 H new ATOM 1138 N TYR A 124 2.823 10.854 1.713 1.00 43.15 N ATOM 1139 CA TYR A 124 2.836 9.972 2.896 1.00 20.35 C ATOM 1140 C TYR A 124 4.087 10.152 3.752 1.00 72.41 C ATOM 1141 O TYR A 124 3.993 10.270 4.969 1.00 1.01 O ATOM 1142 CB TYR A 124 2.752 8.524 2.464 1.00 61.32 C ATOM 1143 CG TYR A 124 1.491 8.138 1.753 1.00 71.43 C ATOM 1144 CD1 TYR A 124 1.154 8.686 0.525 1.00 0.11 C ATOM 1145 CD2 TYR A 124 0.651 7.202 2.295 1.00 4.31 C ATOM 1146 CE1 TYR A 124 0.021 8.317 -0.121 1.00 11.24 C ATOM 1147 CE2 TYR A 124 -0.481 6.831 1.649 1.00 34.30 C ATOM 1148 CZ TYR A 124 -0.801 7.391 0.445 1.00 63.15 C ATOM 1149 OH TYR A 124 -1.956 7.029 -0.182 1.00 74.31 O ATOM 0 H TYR A 124 3.238 10.427 0.885 1.00 43.15 H new ATOM 0 HA TYR A 124 1.971 10.248 3.499 1.00 20.35 H new ATOM 0 HB2 TYR A 124 3.598 8.307 1.812 1.00 61.32 H new ATOM 0 HB3 TYR A 124 2.860 7.892 3.346 1.00 61.32 H new ATOM 0 HD1 TYR A 124 1.806 9.420 0.075 1.00 0.11 H new ATOM 0 HD2 TYR A 124 0.893 6.755 3.248 1.00 4.31 H new ATOM 0 HE1 TYR A 124 -0.228 8.754 -1.077 1.00 11.24 H new ATOM 0 HE2 TYR A 124 -1.133 6.090 2.088 1.00 34.30 H new ATOM 0 HH TYR A 124 -2.628 6.783 0.487 1.00 74.31 H new ATOM 1159 N HIS A 125 5.261 10.101 3.128 1.00 64.12 N ATOM 1160 CA HIS A 125 6.525 10.329 3.859 1.00 2.10 C ATOM 1161 C HIS A 125 7.255 11.561 3.300 1.00 31.43 C ATOM 1162 O HIS A 125 8.297 11.419 2.698 1.00 42.35 O ATOM 1163 CB HIS A 125 7.468 9.099 3.776 1.00 53.24 C ATOM 1164 CG HIS A 125 6.937 7.807 4.358 1.00 31.10 C ATOM 1165 ND1 HIS A 125 6.182 7.708 5.506 1.00 33.34 N ATOM 1166 CD2 HIS A 125 7.028 6.557 3.867 1.00 52.12 C ATOM 1167 CE1 HIS A 125 5.830 6.434 5.673 1.00 62.54 C ATOM 1168 NE2 HIS A 125 6.323 5.662 4.673 1.00 3.34 N ATOM 0 H HIS A 125 5.374 9.908 2.133 1.00 64.12 H new ATOM 0 HA HIS A 125 6.265 10.496 4.904 1.00 2.10 H new ATOM 0 HB2 HIS A 125 7.714 8.927 2.728 1.00 53.24 H new ATOM 0 HB3 HIS A 125 8.399 9.347 4.286 1.00 53.24 H new ATOM 0 HD2 HIS A 125 7.571 6.285 2.974 1.00 52.12 H new ATOM 0 HE1 HIS A 125 5.233 6.066 6.494 1.00 62.54 H new ATOM 0 HE2 HIS A 125 6.205 4.658 4.540 1.00 3.34 H new ATOM 1176 N PRO A 126 6.703 12.770 3.497 1.00 42.40 N ATOM 1177 CA PRO A 126 7.224 14.006 2.884 1.00 73.32 C ATOM 1178 C PRO A 126 8.550 14.499 3.442 1.00 21.15 C ATOM 1179 O PRO A 126 8.858 14.324 4.631 1.00 61.33 O ATOM 1180 CB PRO A 126 6.118 15.017 3.145 1.00 34.10 C ATOM 1181 CG PRO A 126 5.498 14.532 4.410 1.00 74.31 C ATOM 1182 CD PRO A 126 5.535 13.044 4.327 1.00 40.35 C ATOM 0 HA PRO A 126 7.454 13.840 1.832 1.00 73.32 H new ATOM 0 HB2 PRO A 126 6.514 16.027 3.253 1.00 34.10 H new ATOM 0 HB3 PRO A 126 5.397 15.043 2.328 1.00 34.10 H new ATOM 0 HG2 PRO A 126 6.049 14.890 5.280 1.00 74.31 H new ATOM 0 HG3 PRO A 126 4.475 14.894 4.510 1.00 74.31 H new ATOM 0 HD2 PRO A 126 5.630 12.591 5.314 1.00 40.35 H new ATOM 0 HD3 PRO A 126 4.624 12.646 3.880 1.00 40.35 H new ATOM 1190 N GLY A 127 9.317 15.127 2.571 1.00 2.22 N ATOM 1191 CA GLY A 127 10.589 15.679 2.929 1.00 4.31 C ATOM 1192 C GLY A 127 11.523 15.733 1.738 1.00 70.21 C ATOM 1193 O GLY A 127 12.119 16.772 1.437 1.00 62.21 O ATOM 0 H GLY A 127 9.064 15.264 1.592 1.00 2.22 H new ATOM 0 HA2 GLY A 127 10.452 16.683 3.331 1.00 4.31 H new ATOM 0 HA3 GLY A 127 11.039 15.078 3.719 1.00 4.31 H new ATOM 1197 N GLU A 128 11.603 14.632 1.028 1.00 73.33 N ATOM 1198 CA GLU A 128 12.490 14.477 -0.117 1.00 34.54 C ATOM 1199 C GLU A 128 11.954 13.376 -0.994 1.00 64.11 C ATOM 1200 O GLU A 128 10.976 12.722 -0.627 1.00 1.33 O ATOM 1201 CB GLU A 128 13.912 14.132 0.333 1.00 12.24 C ATOM 1202 CG GLU A 128 13.992 12.911 1.227 1.00 50.40 C ATOM 1203 CD GLU A 128 15.389 12.450 1.438 1.00 12.12 C ATOM 1204 OE1 GLU A 128 16.178 13.170 2.082 1.00 33.04 O ATOM 1205 OE2 GLU A 128 15.741 11.378 0.921 1.00 3.23 O ATOM 0 H GLU A 128 11.047 13.801 1.228 1.00 73.33 H new ATOM 0 HA GLU A 128 12.530 15.417 -0.667 1.00 34.54 H new ATOM 0 HB2 GLU A 128 14.532 13.967 -0.548 1.00 12.24 H new ATOM 0 HB3 GLU A 128 14.333 14.987 0.863 1.00 12.24 H new ATOM 0 HG2 GLU A 128 13.539 13.141 2.192 1.00 50.40 H new ATOM 0 HG3 GLU A 128 13.409 12.103 0.786 1.00 50.40 H new ATOM 1212 N GLU A 129 12.568 13.154 -2.125 1.00 13.25 N ATOM 1213 CA GLU A 129 12.124 12.106 -2.999 1.00 15.23 C ATOM 1214 C GLU A 129 13.294 11.220 -3.346 1.00 50.52 C ATOM 1215 O GLU A 129 14.042 11.511 -4.272 1.00 54.33 O ATOM 1216 CB GLU A 129 11.527 12.709 -4.256 1.00 44.21 C ATOM 1217 CG GLU A 129 10.893 11.710 -5.201 1.00 50.54 C ATOM 1218 CD GLU A 129 10.331 12.365 -6.435 1.00 71.40 C ATOM 1219 OE1 GLU A 129 9.223 12.966 -6.365 1.00 73.14 O ATOM 1220 OE2 GLU A 129 10.990 12.325 -7.490 1.00 61.32 O ATOM 0 H GLU A 129 13.373 13.683 -2.460 1.00 13.25 H new ATOM 0 HA GLU A 129 11.360 11.509 -2.502 1.00 15.23 H new ATOM 0 HB2 GLU A 129 10.775 13.443 -3.968 1.00 44.21 H new ATOM 0 HB3 GLU A 129 12.309 13.248 -4.791 1.00 44.21 H new ATOM 0 HG2 GLU A 129 11.636 10.968 -5.493 1.00 50.54 H new ATOM 0 HG3 GLU A 129 10.097 11.177 -4.681 1.00 50.54 H new ATOM 1227 N ASN A 130 13.473 10.159 -2.570 1.00 21.25 N ATOM 1228 CA ASN A 130 14.598 9.219 -2.744 1.00 41.43 C ATOM 1229 C ASN A 130 14.224 7.869 -2.174 1.00 60.13 C ATOM 1230 O ASN A 130 14.326 7.644 -0.975 1.00 14.12 O ATOM 1231 CB ASN A 130 15.885 9.722 -2.023 1.00 45.04 C ATOM 1232 CG ASN A 130 16.371 11.056 -2.534 1.00 43.42 C ATOM 1233 OD1 ASN A 130 17.193 11.135 -3.453 1.00 10.31 O ATOM 1234 ND2 ASN A 130 15.874 12.111 -1.931 1.00 34.23 N ATOM 0 H ASN A 130 12.849 9.917 -1.800 1.00 21.25 H new ATOM 0 HA ASN A 130 14.803 9.144 -3.812 1.00 41.43 H new ATOM 0 HB2 ASN A 130 15.688 9.800 -0.954 1.00 45.04 H new ATOM 0 HB3 ASN A 130 16.676 8.983 -2.148 1.00 45.04 H new ATOM 0 HD21 ASN A 130 16.165 13.046 -2.217 1.00 34.23 H new ATOM 0 HD22 ASN A 130 15.197 11.996 -1.177 1.00 34.23 H new ATOM 1241 N PHE A 131 13.740 7.015 -3.010 1.00 54.31 N ATOM 1242 CA PHE A 131 13.376 5.665 -2.633 1.00 13.45 C ATOM 1243 C PHE A 131 14.324 4.653 -3.256 1.00 50.34 C ATOM 1244 O PHE A 131 14.859 4.872 -4.350 1.00 13.25 O ATOM 1245 CB PHE A 131 11.959 5.352 -3.074 1.00 65.32 C ATOM 1246 CG PHE A 131 10.894 5.424 -2.006 1.00 13.40 C ATOM 1247 CD1 PHE A 131 10.775 4.408 -1.093 1.00 63.32 C ATOM 1248 CD2 PHE A 131 9.985 6.459 -1.957 1.00 73.03 C ATOM 1249 CE1 PHE A 131 9.777 4.410 -0.149 1.00 2.42 C ATOM 1250 CE2 PHE A 131 8.967 6.467 -1.013 1.00 4.03 C ATOM 1251 CZ PHE A 131 8.867 5.438 -0.112 1.00 63.42 C ATOM 0 H PHE A 131 13.578 7.225 -3.995 1.00 54.31 H new ATOM 0 HA PHE A 131 13.443 5.597 -1.547 1.00 13.45 H new ATOM 0 HB2 PHE A 131 11.689 6.042 -3.873 1.00 65.32 H new ATOM 0 HB3 PHE A 131 11.947 4.349 -3.501 1.00 65.32 H new ATOM 0 HD1 PHE A 131 11.480 3.590 -1.116 1.00 63.32 H new ATOM 0 HD2 PHE A 131 10.066 7.274 -2.661 1.00 73.03 H new ATOM 0 HE1 PHE A 131 9.708 3.602 0.565 1.00 2.42 H new ATOM 0 HE2 PHE A 131 8.257 7.280 -0.988 1.00 4.03 H new ATOM 0 HZ PHE A 131 8.076 5.436 0.623 1.00 63.42 H new ATOM 1261 N LYS A 132 14.521 3.564 -2.569 1.00 45.20 N ATOM 1262 CA LYS A 132 15.379 2.494 -3.018 1.00 63.14 C ATOM 1263 C LYS A 132 14.503 1.255 -3.244 1.00 12.00 C ATOM 1264 O LYS A 132 13.399 1.203 -2.741 1.00 34.44 O ATOM 1265 CB LYS A 132 16.430 2.177 -1.940 1.00 13.41 C ATOM 1266 CG LYS A 132 16.013 1.064 -0.997 1.00 64.44 C ATOM 1267 CD LYS A 132 17.094 0.688 -0.033 1.00 14.44 C ATOM 1268 CE LYS A 132 16.766 -0.658 0.571 1.00 42.42 C ATOM 1269 NZ LYS A 132 17.764 -1.108 1.564 1.00 70.32 N ATOM 0 H LYS A 132 14.084 3.387 -1.664 1.00 45.20 H new ATOM 0 HA LYS A 132 15.891 2.783 -3.936 1.00 63.14 H new ATOM 0 HB2 LYS A 132 17.365 1.899 -2.426 1.00 13.41 H new ATOM 0 HB3 LYS A 132 16.628 3.079 -1.360 1.00 13.41 H new ATOM 0 HG2 LYS A 132 15.129 1.377 -0.441 1.00 64.44 H new ATOM 0 HG3 LYS A 132 15.730 0.187 -1.579 1.00 64.44 H new ATOM 0 HD2 LYS A 132 18.056 0.648 -0.543 1.00 14.44 H new ATOM 0 HD3 LYS A 132 17.180 1.442 0.750 1.00 14.44 H new ATOM 0 HE2 LYS A 132 15.787 -0.607 1.047 1.00 42.42 H new ATOM 0 HE3 LYS A 132 16.695 -1.399 -0.225 1.00 42.42 H new ATOM 0 HZ1 LYS A 132 17.484 -2.036 1.942 1.00 70.32 H new ATOM 0 HZ2 LYS A 132 18.696 -1.186 1.109 1.00 70.32 H new ATOM 0 HZ3 LYS A 132 17.815 -0.419 2.341 1.00 70.32 H new ATOM 1283 N LEU A 133 15.002 0.260 -3.928 1.00 63.32 N ATOM 1284 CA LEU A 133 14.226 -0.931 -4.180 1.00 42.41 C ATOM 1285 C LEU A 133 14.969 -2.158 -3.676 1.00 43.22 C ATOM 1286 O LEU A 133 16.170 -2.309 -3.904 1.00 5.01 O ATOM 1287 CB LEU A 133 13.849 -1.099 -5.674 1.00 12.11 C ATOM 1288 CG LEU A 133 15.000 -1.193 -6.696 1.00 24.45 C ATOM 1289 CD1 LEU A 133 14.496 -1.821 -7.982 1.00 22.24 C ATOM 1290 CD2 LEU A 133 15.571 0.187 -7.012 1.00 20.31 C ATOM 0 H LEU A 133 15.943 0.248 -4.322 1.00 63.32 H new ATOM 0 HA LEU A 133 13.290 -0.823 -3.633 1.00 42.41 H new ATOM 0 HB2 LEU A 133 13.242 -2.000 -5.768 1.00 12.11 H new ATOM 0 HB3 LEU A 133 13.216 -0.258 -5.957 1.00 12.11 H new ATOM 0 HG LEU A 133 15.786 -1.808 -6.259 1.00 24.45 H new ATOM 0 HD11 LEU A 133 15.313 -1.885 -8.700 1.00 22.24 H new ATOM 0 HD12 LEU A 133 14.117 -2.821 -7.774 1.00 22.24 H new ATOM 0 HD13 LEU A 133 13.696 -1.208 -8.397 1.00 22.24 H new ATOM 0 HD21 LEU A 133 16.381 0.089 -7.735 1.00 20.31 H new ATOM 0 HD22 LEU A 133 14.787 0.819 -7.429 1.00 20.31 H new ATOM 0 HD23 LEU A 133 15.954 0.640 -6.098 1.00 20.31 H new ATOM 1302 N THR A 134 14.282 -2.992 -2.963 1.00 12.33 N ATOM 1303 CA THR A 134 14.827 -4.198 -2.435 1.00 15.21 C ATOM 1304 C THR A 134 13.743 -5.286 -2.500 1.00 34.34 C ATOM 1305 O THR A 134 12.700 -5.154 -1.896 1.00 74.11 O ATOM 1306 CB THR A 134 15.333 -3.965 -0.959 1.00 11.31 C ATOM 1307 OG1 THR A 134 15.822 -5.172 -0.361 1.00 25.53 O ATOM 1308 CG2 THR A 134 14.265 -3.324 -0.062 1.00 64.33 C ATOM 0 H THR A 134 13.300 -2.848 -2.727 1.00 12.33 H new ATOM 0 HA THR A 134 15.688 -4.519 -3.022 1.00 15.21 H new ATOM 0 HB THR A 134 16.162 -3.262 -1.040 1.00 11.31 H new ATOM 0 HG1 THR A 134 16.127 -4.985 0.551 1.00 25.53 H new ATOM 0 HG21 THR A 134 14.667 -3.187 0.942 1.00 64.33 H new ATOM 0 HG22 THR A 134 13.978 -2.356 -0.473 1.00 64.33 H new ATOM 0 HG23 THR A 134 13.391 -3.973 -0.017 1.00 64.33 H new ATOM 1316 N MET A 135 13.936 -6.339 -3.257 1.00 15.01 N ATOM 1317 CA MET A 135 12.870 -7.309 -3.314 1.00 64.14 C ATOM 1318 C MET A 135 13.142 -8.370 -2.319 1.00 13.13 C ATOM 1319 O MET A 135 14.026 -9.200 -2.507 1.00 31.24 O ATOM 1320 CB MET A 135 12.806 -7.940 -4.706 1.00 4.24 C ATOM 1321 CG MET A 135 11.700 -8.976 -4.884 1.00 53.53 C ATOM 1322 SD MET A 135 11.694 -9.737 -6.524 1.00 11.41 S ATOM 1323 CE MET A 135 13.283 -10.582 -6.524 1.00 23.01 C ATOM 0 H MET A 135 14.768 -6.541 -3.811 1.00 15.01 H new ATOM 0 HA MET A 135 11.921 -6.817 -3.101 1.00 64.14 H new ATOM 0 HB2 MET A 135 12.667 -7.149 -5.443 1.00 4.24 H new ATOM 0 HB3 MET A 135 13.765 -8.411 -4.921 1.00 4.24 H new ATOM 0 HG2 MET A 135 11.815 -9.754 -4.130 1.00 53.53 H new ATOM 0 HG3 MET A 135 10.735 -8.502 -4.707 1.00 53.53 H new ATOM 0 HE1 MET A 135 13.285 -11.352 -7.295 1.00 23.01 H new ATOM 0 HE2 MET A 135 14.077 -9.863 -6.726 1.00 23.01 H new ATOM 0 HE3 MET A 135 13.450 -11.043 -5.550 1.00 23.01 H new ATOM 1333 N VAL A 136 12.397 -8.322 -1.266 1.00 32.04 N ATOM 1334 CA VAL A 136 12.397 -9.306 -0.234 1.00 13.23 C ATOM 1335 C VAL A 136 11.011 -9.374 0.365 1.00 22.31 C ATOM 1336 O VAL A 136 10.618 -8.462 1.032 1.00 65.43 O ATOM 1337 CB VAL A 136 13.473 -8.989 0.869 1.00 50.12 C ATOM 1338 CG1 VAL A 136 14.833 -9.522 0.450 1.00 11.14 C ATOM 1339 CG2 VAL A 136 13.593 -7.472 1.091 1.00 44.50 C ATOM 0 H VAL A 136 11.741 -7.561 -1.093 1.00 32.04 H new ATOM 0 HA VAL A 136 12.663 -10.273 -0.661 1.00 13.23 H new ATOM 0 HB VAL A 136 13.152 -9.471 1.793 1.00 50.12 H new ATOM 0 HG11 VAL A 136 15.567 -9.295 1.223 1.00 11.14 H new ATOM 0 HG12 VAL A 136 14.774 -10.602 0.312 1.00 11.14 H new ATOM 0 HG13 VAL A 136 15.135 -9.052 -0.486 1.00 11.14 H new ATOM 0 HG21 VAL A 136 14.342 -7.275 1.858 1.00 44.50 H new ATOM 0 HG22 VAL A 136 13.891 -6.990 0.160 1.00 44.50 H new ATOM 0 HG23 VAL A 136 12.631 -7.074 1.413 1.00 44.50 H new ATOM 1349 N LYS A 137 10.261 -10.393 0.160 1.00 64.43 N ATOM 1350 CA LYS A 137 8.980 -10.423 0.815 1.00 40.42 C ATOM 1351 C LYS A 137 8.730 -11.782 1.346 1.00 4.20 C ATOM 1352 O LYS A 137 8.524 -12.727 0.597 1.00 11.52 O ATOM 1353 CB LYS A 137 7.869 -9.929 -0.074 1.00 34.41 C ATOM 1354 CG LYS A 137 6.619 -9.475 0.659 1.00 62.35 C ATOM 1355 CD LYS A 137 6.954 -8.288 1.562 1.00 3.12 C ATOM 1356 CE LYS A 137 5.741 -7.447 1.954 1.00 1.11 C ATOM 1357 NZ LYS A 137 6.080 -6.556 3.060 1.00 60.11 N ATOM 0 H LYS A 137 10.486 -11.194 -0.429 1.00 64.43 H new ATOM 0 HA LYS A 137 9.000 -9.727 1.654 1.00 40.42 H new ATOM 0 HB2 LYS A 137 8.244 -9.099 -0.672 1.00 34.41 H new ATOM 0 HB3 LYS A 137 7.597 -10.725 -0.768 1.00 34.41 H new ATOM 0 HG2 LYS A 137 5.848 -9.193 -0.058 1.00 62.35 H new ATOM 0 HG3 LYS A 137 6.217 -10.295 1.254 1.00 62.35 H new ATOM 0 HD2 LYS A 137 7.436 -8.657 2.467 1.00 3.12 H new ATOM 0 HD3 LYS A 137 7.677 -7.650 1.054 1.00 3.12 H new ATOM 0 HE2 LYS A 137 5.402 -6.863 1.098 1.00 1.11 H new ATOM 0 HE3 LYS A 137 4.916 -8.098 2.242 1.00 1.11 H new ATOM 0 HZ1 LYS A 137 5.210 -6.141 3.451 1.00 60.11 H new ATOM 0 HZ2 LYS A 137 6.570 -7.095 3.802 1.00 60.11 H new ATOM 0 HZ3 LYS A 137 6.702 -5.797 2.716 1.00 60.11 H new ATOM 1371 N ARG A 138 8.753 -11.881 2.621 1.00 21.11 N ATOM 1372 CA ARG A 138 8.699 -13.135 3.273 1.00 24.44 C ATOM 1373 C ARG A 138 7.319 -13.317 3.868 1.00 43.13 C ATOM 1374 O ARG A 138 6.680 -12.326 4.207 1.00 12.41 O ATOM 1375 CB ARG A 138 9.820 -13.221 4.332 1.00 44.10 C ATOM 1376 CG ARG A 138 11.251 -13.041 3.761 1.00 40.33 C ATOM 1377 CD ARG A 138 11.618 -11.566 3.485 1.00 61.21 C ATOM 1378 NE ARG A 138 11.649 -10.750 4.711 1.00 35.21 N ATOM 1379 CZ ARG A 138 11.494 -9.406 4.784 1.00 4.30 C ATOM 1380 NH1 ARG A 138 11.169 -8.685 3.705 1.00 23.10 N ATOM 1381 NH2 ARG A 138 11.645 -8.802 5.951 1.00 54.53 N ATOM 0 H ARG A 138 8.811 -11.082 3.252 1.00 21.11 H new ATOM 0 HA ARG A 138 8.868 -13.948 2.567 1.00 24.44 H new ATOM 0 HB2 ARG A 138 9.646 -12.459 5.092 1.00 44.10 H new ATOM 0 HB3 ARG A 138 9.759 -14.188 4.831 1.00 44.10 H new ATOM 0 HG2 ARG A 138 11.970 -13.462 4.463 1.00 40.33 H new ATOM 0 HG3 ARG A 138 11.339 -13.609 2.835 1.00 40.33 H new ATOM 0 HD2 ARG A 138 12.593 -11.523 3.000 1.00 61.21 H new ATOM 0 HD3 ARG A 138 10.896 -11.140 2.788 1.00 61.21 H new ATOM 0 HE ARG A 138 11.802 -11.245 5.590 1.00 35.21 H new ATOM 0 HH11 ARG A 138 11.033 -9.146 2.805 1.00 23.10 H new ATOM 0 HH12 ARG A 138 11.057 -7.674 3.782 1.00 23.10 H new ATOM 0 HH21 ARG A 138 11.875 -9.347 6.782 1.00 54.53 H new ATOM 0 HH22 ARG A 138 11.531 -7.791 6.020 1.00 54.53 H new ATOM 1395 N ASN A 139 6.842 -14.575 3.911 1.00 40.14 N ATOM 1396 CA ASN A 139 5.470 -14.955 4.405 1.00 53.32 C ATOM 1397 C ASN A 139 4.396 -14.525 3.411 1.00 41.44 C ATOM 1398 O ASN A 139 3.197 -14.627 3.667 1.00 43.33 O ATOM 1399 CB ASN A 139 5.142 -14.396 5.810 1.00 41.24 C ATOM 1400 CG ASN A 139 6.066 -14.893 6.905 1.00 72.43 C ATOM 1401 OD1 ASN A 139 6.611 -16.007 6.834 1.00 35.33 O ATOM 1402 ND2 ASN A 139 6.237 -14.097 7.929 1.00 75.35 N ATOM 0 H ASN A 139 7.391 -15.378 3.604 1.00 40.14 H new ATOM 0 HA ASN A 139 5.477 -16.042 4.492 1.00 53.32 H new ATOM 0 HB2 ASN A 139 5.189 -13.308 5.776 1.00 41.24 H new ATOM 0 HB3 ASN A 139 4.117 -14.663 6.065 1.00 41.24 H new ATOM 0 HD21 ASN A 139 6.834 -14.384 8.704 1.00 75.35 H new ATOM 0 HD22 ASN A 139 5.773 -13.189 7.952 1.00 75.35 H new ATOM 1409 N ASN A 140 4.850 -14.086 2.262 1.00 60.25 N ATOM 1410 CA ASN A 140 4.008 -13.589 1.192 1.00 4.43 C ATOM 1411 C ASN A 140 4.701 -13.983 -0.104 1.00 21.10 C ATOM 1412 O ASN A 140 5.486 -14.937 -0.123 1.00 54.52 O ATOM 1413 CB ASN A 140 3.909 -12.035 1.246 1.00 43.11 C ATOM 1414 CG ASN A 140 3.360 -11.444 2.542 1.00 31.00 C ATOM 1415 OD1 ASN A 140 2.157 -11.252 2.702 1.00 2.23 O ATOM 1416 ND2 ASN A 140 4.236 -11.123 3.454 1.00 53.25 N ATOM 0 H ASN A 140 5.844 -14.063 2.036 1.00 60.25 H new ATOM 0 HA ASN A 140 3.001 -13.998 1.274 1.00 4.43 H new ATOM 0 HB2 ASN A 140 4.903 -11.621 1.074 1.00 43.11 H new ATOM 0 HB3 ASN A 140 3.278 -11.702 0.422 1.00 43.11 H new ATOM 0 HD21 ASN A 140 3.929 -10.700 4.330 1.00 53.25 H new ATOM 0 HD22 ASN A 140 5.228 -11.295 3.291 1.00 53.25 H new ATOM 1423 N GLN A 141 4.460 -13.251 -1.158 1.00 70.15 N ATOM 1424 CA GLN A 141 5.104 -13.490 -2.424 1.00 61.30 C ATOM 1425 C GLN A 141 6.294 -12.608 -2.482 1.00 52.31 C ATOM 1426 O GLN A 141 6.350 -11.658 -1.739 1.00 53.11 O ATOM 1427 CB GLN A 141 4.204 -13.121 -3.608 1.00 0.31 C ATOM 1428 CG GLN A 141 3.835 -11.648 -3.760 1.00 72.13 C ATOM 1429 CD GLN A 141 2.827 -11.161 -2.760 1.00 21.32 C ATOM 1430 OE1 GLN A 141 1.630 -11.232 -3.000 1.00 4.34 O ATOM 1431 NE2 GLN A 141 3.298 -10.636 -1.655 1.00 0.00 N ATOM 0 H GLN A 141 3.808 -12.467 -1.164 1.00 70.15 H new ATOM 0 HA GLN A 141 5.349 -14.550 -2.495 1.00 61.30 H new ATOM 0 HB2 GLN A 141 4.699 -13.443 -4.524 1.00 0.31 H new ATOM 0 HB3 GLN A 141 3.281 -13.695 -3.525 1.00 0.31 H new ATOM 0 HG2 GLN A 141 4.740 -11.047 -3.670 1.00 72.13 H new ATOM 0 HG3 GLN A 141 3.443 -11.485 -4.764 1.00 72.13 H new ATOM 0 HE21 GLN A 141 4.305 -10.598 -1.497 1.00 0.00 H new ATOM 0 HE22 GLN A 141 2.657 -10.266 -0.953 1.00 0.00 H new ATOM 1440 N THR A 142 7.170 -12.828 -3.402 1.00 31.41 N ATOM 1441 CA THR A 142 8.317 -12.008 -3.492 1.00 10.12 C ATOM 1442 C THR A 142 8.059 -10.852 -4.460 1.00 42.41 C ATOM 1443 O THR A 142 7.895 -11.007 -5.671 1.00 32.53 O ATOM 1444 CB THR A 142 9.564 -12.841 -3.832 1.00 73.11 C ATOM 1445 OG1 THR A 142 9.200 -13.867 -4.783 1.00 43.41 O ATOM 1446 CG2 THR A 142 10.139 -13.487 -2.552 1.00 44.30 C ATOM 0 H THR A 142 7.109 -13.570 -4.100 1.00 31.41 H new ATOM 0 HA THR A 142 8.525 -11.558 -2.521 1.00 10.12 H new ATOM 0 HB THR A 142 10.327 -12.194 -4.265 1.00 73.11 H new ATOM 0 HG1 THR A 142 9.991 -14.401 -5.006 1.00 43.41 H new ATOM 0 HG21 THR A 142 11.022 -14.074 -2.806 1.00 44.30 H new ATOM 0 HG22 THR A 142 10.414 -12.707 -1.843 1.00 44.30 H new ATOM 0 HG23 THR A 142 9.388 -14.137 -2.103 1.00 44.30 H new ATOM 1454 N ILE A 143 7.974 -9.721 -3.842 1.00 62.23 N ATOM 1455 CA ILE A 143 7.604 -8.441 -4.375 1.00 60.41 C ATOM 1456 C ILE A 143 8.625 -7.411 -3.957 1.00 22.33 C ATOM 1457 O ILE A 143 9.346 -7.631 -2.969 1.00 75.54 O ATOM 1458 CB ILE A 143 6.147 -8.025 -4.027 1.00 44.32 C ATOM 1459 CG1 ILE A 143 5.824 -8.251 -2.582 1.00 64.42 C ATOM 1460 CG2 ILE A 143 5.142 -8.696 -4.907 1.00 32.13 C ATOM 1461 CD1 ILE A 143 6.372 -7.175 -1.706 1.00 1.44 C ATOM 0 H ILE A 143 8.183 -9.659 -2.846 1.00 62.23 H new ATOM 0 HA ILE A 143 7.608 -8.513 -5.463 1.00 60.41 H new ATOM 0 HB ILE A 143 6.086 -6.953 -4.215 1.00 44.32 H new ATOM 0 HG12 ILE A 143 4.742 -8.303 -2.457 1.00 64.42 H new ATOM 0 HG13 ILE A 143 6.228 -9.214 -2.268 1.00 64.42 H new ATOM 0 HG21 ILE A 143 4.139 -8.374 -4.626 1.00 32.13 H new ATOM 0 HG22 ILE A 143 5.331 -8.427 -5.946 1.00 32.13 H new ATOM 0 HG23 ILE A 143 5.222 -9.777 -4.792 1.00 32.13 H new ATOM 0 HD11 ILE A 143 6.112 -7.383 -0.668 1.00 1.44 H new ATOM 0 HD12 ILE A 143 7.457 -7.140 -1.808 1.00 1.44 H new ATOM 0 HD13 ILE A 143 5.948 -6.215 -2.001 1.00 1.44 H new ATOM 1473 N PHE A 144 8.741 -6.348 -4.688 1.00 43.11 N ATOM 1474 CA PHE A 144 9.812 -5.420 -4.478 1.00 74.31 C ATOM 1475 C PHE A 144 9.388 -4.408 -3.448 1.00 63.33 C ATOM 1476 O PHE A 144 8.347 -3.744 -3.578 1.00 0.13 O ATOM 1477 CB PHE A 144 10.066 -4.639 -5.767 1.00 60.42 C ATOM 1478 CG PHE A 144 10.443 -5.446 -6.967 1.00 4.20 C ATOM 1479 CD1 PHE A 144 9.467 -5.943 -7.822 1.00 23.42 C ATOM 1480 CD2 PHE A 144 11.766 -5.675 -7.259 1.00 62.03 C ATOM 1481 CE1 PHE A 144 9.816 -6.656 -8.946 1.00 63.11 C ATOM 1482 CE2 PHE A 144 12.125 -6.396 -8.381 1.00 31.03 C ATOM 1483 CZ PHE A 144 11.145 -6.884 -9.227 1.00 61.23 C ATOM 0 H PHE A 144 8.102 -6.098 -5.443 1.00 43.11 H new ATOM 0 HA PHE A 144 10.699 -5.970 -4.164 1.00 74.31 H new ATOM 0 HB2 PHE A 144 9.167 -4.071 -6.006 1.00 60.42 H new ATOM 0 HB3 PHE A 144 10.859 -3.916 -5.578 1.00 60.42 H new ATOM 0 HD1 PHE A 144 8.424 -5.768 -7.602 1.00 23.42 H new ATOM 0 HD2 PHE A 144 12.533 -5.287 -6.605 1.00 62.03 H new ATOM 0 HE1 PHE A 144 9.050 -7.036 -9.606 1.00 63.11 H new ATOM 0 HE2 PHE A 144 13.167 -6.578 -8.597 1.00 31.03 H new ATOM 0 HZ PHE A 144 11.422 -7.444 -10.108 1.00 61.23 H new ATOM 1493 N GLU A 145 10.183 -4.324 -2.413 1.00 12.31 N ATOM 1494 CA GLU A 145 9.945 -3.428 -1.350 1.00 21.51 C ATOM 1495 C GLU A 145 10.728 -2.171 -1.632 1.00 60.41 C ATOM 1496 O GLU A 145 11.846 -2.226 -2.140 1.00 14.21 O ATOM 1497 CB GLU A 145 10.337 -4.036 0.024 1.00 32.43 C ATOM 1498 CG GLU A 145 9.746 -5.409 0.331 1.00 40.41 C ATOM 1499 CD GLU A 145 9.512 -5.646 1.838 1.00 64.54 C ATOM 1500 OE1 GLU A 145 10.448 -6.069 2.567 1.00 54.13 O ATOM 1501 OE2 GLU A 145 8.363 -5.397 2.332 1.00 2.31 O ATOM 0 H GLU A 145 11.023 -4.892 -2.299 1.00 12.31 H new ATOM 0 HA GLU A 145 8.879 -3.209 -1.287 1.00 21.51 H new ATOM 0 HB2 GLU A 145 11.423 -4.109 0.072 1.00 32.43 H new ATOM 0 HB3 GLU A 145 10.029 -3.344 0.808 1.00 32.43 H new ATOM 0 HG2 GLU A 145 8.799 -5.517 -0.199 1.00 40.41 H new ATOM 0 HG3 GLU A 145 10.415 -6.180 -0.052 1.00 40.41 H new ATOM 1508 N GLN A 146 10.144 -1.065 -1.364 1.00 62.32 N ATOM 1509 CA GLN A 146 10.751 0.187 -1.659 1.00 10.53 C ATOM 1510 C GLN A 146 10.935 0.970 -0.355 1.00 23.01 C ATOM 1511 O GLN A 146 9.940 1.311 0.317 1.00 5.12 O ATOM 1512 CB GLN A 146 9.857 0.939 -2.664 1.00 54.52 C ATOM 1513 CG GLN A 146 10.583 2.034 -3.400 1.00 32.35 C ATOM 1514 CD GLN A 146 9.780 2.705 -4.490 1.00 73.31 C ATOM 1515 OE1 GLN A 146 9.797 2.288 -5.628 1.00 30.55 O ATOM 1516 NE2 GLN A 146 9.106 3.767 -4.163 1.00 34.34 N ATOM 0 H GLN A 146 9.223 -0.996 -0.930 1.00 62.32 H new ATOM 0 HA GLN A 146 11.735 0.055 -2.110 1.00 10.53 H new ATOM 0 HB2 GLN A 146 9.456 0.228 -3.387 1.00 54.52 H new ATOM 0 HB3 GLN A 146 9.007 1.368 -2.134 1.00 54.52 H new ATOM 0 HG2 GLN A 146 10.896 2.791 -2.680 1.00 32.35 H new ATOM 0 HG3 GLN A 146 11.490 1.618 -3.840 1.00 32.35 H new ATOM 0 HE21 GLN A 146 9.109 4.096 -3.197 1.00 34.34 H new ATOM 0 HE22 GLN A 146 8.574 4.272 -4.872 1.00 34.34 H new ATOM 1525 N THR A 147 12.189 1.182 0.044 1.00 61.41 N ATOM 1526 CA THR A 147 12.513 1.883 1.290 1.00 24.41 C ATOM 1527 C THR A 147 13.156 3.206 0.991 1.00 55.13 C ATOM 1528 O THR A 147 13.639 3.430 -0.102 1.00 45.43 O ATOM 1529 CB THR A 147 13.499 1.079 2.159 1.00 52.31 C ATOM 1530 OG1 THR A 147 13.791 -0.188 1.534 1.00 62.11 O ATOM 1531 CG2 THR A 147 12.923 0.848 3.551 1.00 3.40 C ATOM 0 H THR A 147 13.006 0.875 -0.483 1.00 61.41 H new ATOM 0 HA THR A 147 11.574 2.015 1.828 1.00 24.41 H new ATOM 0 HB THR A 147 14.421 1.653 2.254 1.00 52.31 H new ATOM 0 HG1 THR A 147 14.113 -0.820 2.210 1.00 62.11 H new ATOM 0 HG21 THR A 147 13.634 0.279 4.149 1.00 3.40 H new ATOM 0 HG22 THR A 147 12.733 1.808 4.030 1.00 3.40 H new ATOM 0 HG23 THR A 147 11.989 0.292 3.471 1.00 3.40 H new ATOM 1539 N ILE A 148 13.169 4.062 1.944 1.00 63.04 N ATOM 1540 CA ILE A 148 13.759 5.362 1.801 1.00 13.51 C ATOM 1541 C ILE A 148 15.112 5.346 2.477 1.00 44.21 C ATOM 1542 O ILE A 148 15.405 4.464 3.279 1.00 22.43 O ATOM 1543 CB ILE A 148 12.859 6.449 2.426 1.00 20.52 C ATOM 1544 CG1 ILE A 148 11.425 6.164 2.005 1.00 13.13 C ATOM 1545 CG2 ILE A 148 13.284 7.801 1.863 1.00 2.30 C ATOM 1546 CD1 ILE A 148 10.338 6.743 2.863 1.00 23.24 C ATOM 0 H ILE A 148 12.766 3.887 2.865 1.00 63.04 H new ATOM 0 HA ILE A 148 13.870 5.598 0.743 1.00 13.51 H new ATOM 0 HB ILE A 148 12.942 6.454 3.513 1.00 20.52 H new ATOM 0 HG12 ILE A 148 11.289 6.535 0.989 1.00 13.13 H new ATOM 0 HG13 ILE A 148 11.290 5.083 1.970 1.00 13.13 H new ATOM 0 HG21 ILE A 148 12.661 8.586 2.291 1.00 2.30 H new ATOM 0 HG22 ILE A 148 14.328 7.988 2.115 1.00 2.30 H new ATOM 0 HG23 ILE A 148 13.168 7.797 0.779 1.00 2.30 H new ATOM 0 HD11 ILE A 148 9.366 6.467 2.454 1.00 23.24 H new ATOM 0 HD12 ILE A 148 10.429 6.354 3.877 1.00 23.24 H new ATOM 0 HD13 ILE A 148 10.428 7.829 2.881 1.00 23.24 H new ATOM 1558 N ASN A 149 15.961 6.230 2.074 1.00 34.43 N ATOM 1559 CA ASN A 149 17.271 6.356 2.648 1.00 62.23 C ATOM 1560 C ASN A 149 17.297 7.456 3.702 1.00 4.14 C ATOM 1561 O ASN A 149 18.360 7.840 4.177 1.00 2.31 O ATOM 1562 CB ASN A 149 18.303 6.635 1.531 1.00 21.51 C ATOM 1563 CG ASN A 149 17.897 7.749 0.554 1.00 13.02 C ATOM 1564 OD1 ASN A 149 18.231 7.695 -0.625 1.00 31.34 O ATOM 1565 ND2 ASN A 149 17.203 8.761 1.019 1.00 13.24 N ATOM 0 H ASN A 149 15.768 6.897 1.327 1.00 34.43 H new ATOM 0 HA ASN A 149 17.533 5.420 3.142 1.00 62.23 H new ATOM 0 HB2 ASN A 149 19.255 6.901 1.991 1.00 21.51 H new ATOM 0 HB3 ASN A 149 18.467 5.717 0.967 1.00 21.51 H new ATOM 0 HD21 ASN A 149 16.931 9.522 0.397 1.00 13.24 H new ATOM 0 HD22 ASN A 149 16.935 8.787 2.003 1.00 13.24 H new ATOM 1572 N ASP A 150 16.113 7.975 4.075 1.00 12.32 N ATOM 1573 CA ASP A 150 16.087 9.106 5.006 1.00 3.14 C ATOM 1574 C ASP A 150 14.748 9.263 5.703 1.00 20.35 C ATOM 1575 O ASP A 150 14.687 9.346 6.933 1.00 13.44 O ATOM 1576 CB ASP A 150 16.362 10.372 4.256 1.00 53.25 C ATOM 1577 CG ASP A 150 16.838 11.485 5.176 1.00 0.21 C ATOM 1578 OD1 ASP A 150 16.009 12.123 5.857 1.00 65.15 O ATOM 1579 OD2 ASP A 150 18.052 11.756 5.220 1.00 73.21 O ATOM 0 H ASP A 150 15.201 7.644 3.760 1.00 12.32 H new ATOM 0 HA ASP A 150 16.847 8.908 5.762 1.00 3.14 H new ATOM 0 HB2 ASP A 150 17.117 10.185 3.492 1.00 53.25 H new ATOM 0 HB3 ASP A 150 15.457 10.691 3.738 1.00 53.25 H new ATOM 1584 N LEU A 151 13.654 9.244 4.917 1.00 10.24 N ATOM 1585 CA LEU A 151 12.280 9.495 5.423 1.00 73.22 C ATOM 1586 C LEU A 151 11.777 8.284 6.212 1.00 4.13 C ATOM 1587 O LEU A 151 10.630 8.227 6.664 1.00 33.32 O ATOM 1588 CB LEU A 151 11.343 9.790 4.234 1.00 0.31 C ATOM 1589 CG LEU A 151 11.777 10.910 3.288 1.00 3.33 C ATOM 1590 CD1 LEU A 151 11.269 10.642 1.903 1.00 21.33 C ATOM 1591 CD2 LEU A 151 11.204 12.213 3.726 1.00 71.03 C ATOM 0 H LEU A 151 13.692 9.055 3.915 1.00 10.24 H new ATOM 0 HA LEU A 151 12.293 10.356 6.091 1.00 73.22 H new ATOM 0 HB2 LEU A 151 11.231 8.875 3.652 1.00 0.31 H new ATOM 0 HB3 LEU A 151 10.358 10.039 4.629 1.00 0.31 H new ATOM 0 HG LEU A 151 12.866 10.949 3.300 1.00 3.33 H new ATOM 0 HD11 LEU A 151 11.584 11.446 1.238 1.00 21.33 H new ATOM 0 HD12 LEU A 151 11.673 9.695 1.544 1.00 21.33 H new ATOM 0 HD13 LEU A 151 10.180 10.590 1.919 1.00 21.33 H new ATOM 0 HD21 LEU A 151 11.523 12.999 3.042 1.00 71.03 H new ATOM 0 HD22 LEU A 151 10.116 12.151 3.725 1.00 71.03 H new ATOM 0 HD23 LEU A 151 11.553 12.444 4.732 1.00 71.03 H new ATOM 1603 N THR A 152 12.669 7.353 6.364 1.00 62.53 N ATOM 1604 CA THR A 152 12.520 6.127 7.083 1.00 42.11 C ATOM 1605 C THR A 152 12.406 6.409 8.582 1.00 43.21 C ATOM 1606 O THR A 152 11.834 5.633 9.345 1.00 44.42 O ATOM 1607 CB THR A 152 13.807 5.344 6.817 1.00 11.12 C ATOM 1608 OG1 THR A 152 14.008 5.344 5.421 1.00 61.12 O ATOM 1609 CG2 THR A 152 13.760 3.911 7.317 1.00 21.24 C ATOM 0 H THR A 152 13.598 7.441 5.953 1.00 62.53 H new ATOM 0 HA THR A 152 11.628 5.584 6.773 1.00 42.11 H new ATOM 0 HB THR A 152 14.621 5.826 7.360 1.00 11.12 H new ATOM 0 HG1 THR A 152 13.399 4.700 5.003 1.00 61.12 H new ATOM 0 HG21 THR A 152 14.706 3.417 7.094 1.00 21.24 H new ATOM 0 HG22 THR A 152 13.593 3.907 8.394 1.00 21.24 H new ATOM 0 HG23 THR A 152 12.947 3.379 6.822 1.00 21.24 H new ATOM 1617 N PHE A 153 12.928 7.536 8.983 1.00 71.01 N ATOM 1618 CA PHE A 153 12.974 7.895 10.380 1.00 62.21 C ATOM 1619 C PHE A 153 11.978 8.995 10.669 1.00 23.03 C ATOM 1620 O PHE A 153 11.062 9.235 9.854 1.00 53.52 O ATOM 1621 CB PHE A 153 14.395 8.320 10.757 1.00 3.22 C ATOM 1622 CG PHE A 153 15.422 7.252 10.477 1.00 54.12 C ATOM 1623 CD1 PHE A 153 15.662 6.244 11.392 1.00 32.33 C ATOM 1624 CD2 PHE A 153 16.129 7.247 9.282 1.00 22.34 C ATOM 1625 CE1 PHE A 153 16.582 5.251 11.127 1.00 33.42 C ATOM 1626 CE2 PHE A 153 17.053 6.259 9.013 1.00 12.54 C ATOM 1627 CZ PHE A 153 17.278 5.258 9.936 1.00 3.31 C ATOM 0 H PHE A 153 13.333 8.231 8.356 1.00 71.01 H new ATOM 0 HA PHE A 153 12.702 7.031 10.986 1.00 62.21 H new ATOM 0 HB2 PHE A 153 14.657 9.222 10.205 1.00 3.22 H new ATOM 0 HB3 PHE A 153 14.423 8.575 11.816 1.00 3.22 H new ATOM 0 HD1 PHE A 153 15.122 6.234 12.327 1.00 32.33 H new ATOM 0 HD2 PHE A 153 15.953 8.026 8.555 1.00 22.34 H new ATOM 0 HE1 PHE A 153 16.757 4.469 11.851 1.00 33.42 H new ATOM 0 HE2 PHE A 153 17.600 6.269 8.082 1.00 12.54 H new ATOM 0 HZ PHE A 153 17.998 4.481 9.726 1.00 3.31 H new