USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=25 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 152:sc= -10.1! USER MOD Set 1.2: A 107 CYS SG : rot 84:sc= -3.66! USER MOD Set 1.3: A 120 HIS : no HD1:sc= 0.0265 K(o=-17,f=-35!) USER MOD Set 1.4: A 125 HIS : no HD1:sc= -3.65! C(o=-17!,f=-34!) USER MOD Set 2.1: A 72 CYS SG : rot 152:sc= -0.538! USER MOD Set 2.2: A 75 CYS SG : rot -70:sc= -4.59! USER MOD Set 2.3: A 88 HIS : no HE2:sc= -1.21 K(o=-6.2,f=-28!) USER MOD Set 2.4: A 93 HIS : no HD1:sc= 0.134 K(o=-6.2,f=-22!) USER MOD Set 3.1: A 73 LYS NZ :NH3+ -175:sc= 1.27 (180deg=0) USER MOD Set 3.2: A 101 SER OG : rot -110:sc= 0.774 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.766 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -3.37! C(o=-3.4!,f=-7.8!) USER MOD Single : A 79 THR OG1 : rot 160:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.0015) 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 -86:sc= 1.28 USER MOD Single : A 100 SER OG : rot -26:sc= 0.193 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -1.21! K(o=-1.2!,f=-0.15) USER MOD Single : A 111 THR OG1 : rot 79:sc= -0.714! USER MOD Single : A 112 LYS NZ :NH3+ -168:sc= -0.0335 (180deg=-0.196) 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= -3.96! C(o=-4!,f=-7.4!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot -133:sc= -1.86! USER MOD Single : A 130 ASN : amide:sc= -0.948 X(o=-0.95,f=-0.48) 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 163:sc= -0.041 (180deg=-0.404) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 141 GLN : amide:sc= -3.18! K(o=-3.2!,f=-0.84) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 146 GLN : amide:sc= -0.847 X(o=-0.85,f=-0.38) USER MOD Single : A 147 THR OG1 : rot -145:sc= -1.71 USER MOD Single : A 149 ASN : amide:sc= -1.89! K(o=-1.9!,f=-0.18) USER MOD Single : A 152 THR OG1 : rot -85:sc= 0.407 USER MOD ----------------------------------------------------------------- ATOM 235 N VAL A 66 -4.741 5.305 -4.668 1.00 43.23 N ATOM 236 CA VAL A 66 -4.290 5.600 -3.302 1.00 33.35 C ATOM 237 C VAL A 66 -4.496 7.123 -2.960 1.00 52.34 C ATOM 238 O VAL A 66 -4.239 7.992 -3.801 1.00 30.11 O ATOM 239 CB VAL A 66 -2.772 5.184 -3.150 1.00 33.41 C ATOM 240 CG1 VAL A 66 -1.789 6.250 -3.599 1.00 14.12 C ATOM 241 CG2 VAL A 66 -2.443 4.683 -1.775 1.00 44.33 C ATOM 0 HA VAL A 66 -4.888 5.024 -2.596 1.00 33.35 H new ATOM 0 HB VAL A 66 -2.649 4.351 -3.842 1.00 33.41 H new ATOM 0 HG11 VAL A 66 -0.771 5.886 -3.462 1.00 14.12 H new ATOM 0 HG12 VAL A 66 -1.955 6.478 -4.652 1.00 14.12 H new ATOM 0 HG13 VAL A 66 -1.935 7.153 -3.005 1.00 14.12 H new ATOM 0 HG21 VAL A 66 -1.388 4.412 -1.729 1.00 44.33 H new ATOM 0 HG22 VAL A 66 -2.649 5.465 -1.044 1.00 44.33 H new ATOM 0 HG23 VAL A 66 -3.052 3.807 -1.551 1.00 44.33 H new ATOM 251 N GLU A 67 -5.033 7.443 -1.786 1.00 34.14 N ATOM 252 CA GLU A 67 -5.202 8.858 -1.422 1.00 3.03 C ATOM 253 C GLU A 67 -4.170 9.309 -0.414 1.00 2.21 C ATOM 254 O GLU A 67 -3.208 9.983 -0.765 1.00 70.20 O ATOM 255 CB GLU A 67 -6.575 9.147 -0.859 1.00 20.35 C ATOM 256 CG GLU A 67 -7.711 8.668 -1.691 1.00 33.34 C ATOM 257 CD GLU A 67 -9.018 9.154 -1.122 1.00 22.31 C ATOM 258 OE1 GLU A 67 -9.533 8.553 -0.155 1.00 42.20 O ATOM 259 OE2 GLU A 67 -9.522 10.202 -1.575 1.00 33.43 O ATOM 0 H GLU A 67 -5.351 6.772 -1.087 1.00 34.14 H new ATOM 0 HA GLU A 67 -5.072 9.413 -2.351 1.00 3.03 H new ATOM 0 HB2 GLU A 67 -6.650 8.690 0.128 1.00 20.35 H new ATOM 0 HB3 GLU A 67 -6.675 10.224 -0.720 1.00 20.35 H new ATOM 0 HG2 GLU A 67 -7.597 9.025 -2.714 1.00 33.34 H new ATOM 0 HG3 GLU A 67 -7.707 7.579 -1.731 1.00 33.34 H new ATOM 266 N GLY A 68 -4.375 8.935 0.839 1.00 53.22 N ATOM 267 CA GLY A 68 -3.473 9.362 1.886 1.00 62.05 C ATOM 268 C GLY A 68 -3.284 8.311 2.934 1.00 4.03 C ATOM 269 O GLY A 68 -2.821 8.587 4.036 1.00 33.23 O ATOM 0 H GLY A 68 -5.147 8.345 1.149 1.00 53.22 H new ATOM 0 HA2 GLY A 68 -2.507 9.615 1.450 1.00 62.05 H new ATOM 0 HA3 GLY A 68 -3.861 10.269 2.350 1.00 62.05 H new ATOM 273 N GLY A 69 -3.655 7.121 2.603 1.00 71.41 N ATOM 274 CA GLY A 69 -3.490 6.031 3.512 1.00 64.23 C ATOM 275 C GLY A 69 -2.889 4.826 2.851 1.00 62.02 C ATOM 276 O GLY A 69 -2.262 4.929 1.812 1.00 21.23 O ATOM 0 H GLY A 69 -4.076 6.875 1.707 1.00 71.41 H new ATOM 0 HA2 GLY A 69 -2.854 6.344 4.340 1.00 64.23 H new ATOM 0 HA3 GLY A 69 -4.458 5.765 3.937 1.00 64.23 H new ATOM 280 N TYR A 70 -3.135 3.687 3.388 1.00 21.04 N ATOM 281 CA TYR A 70 -2.558 2.488 2.872 1.00 24.23 C ATOM 282 C TYR A 70 -3.601 1.699 2.137 1.00 1.44 C ATOM 283 O TYR A 70 -4.601 1.273 2.718 1.00 54.43 O ATOM 284 CB TYR A 70 -1.929 1.679 4.007 1.00 23.50 C ATOM 285 CG TYR A 70 -1.047 2.525 4.900 1.00 61.51 C ATOM 286 CD1 TYR A 70 0.055 3.198 4.390 1.00 74.13 C ATOM 287 CD2 TYR A 70 -1.356 2.697 6.238 1.00 73.24 C ATOM 288 CE1 TYR A 70 0.827 4.008 5.190 1.00 62.21 C ATOM 289 CE2 TYR A 70 -0.601 3.512 7.041 1.00 33.13 C ATOM 290 CZ TYR A 70 0.496 4.166 6.515 1.00 15.13 C ATOM 291 OH TYR A 70 1.254 4.990 7.310 1.00 72.05 O ATOM 0 H TYR A 70 -3.741 3.553 4.198 1.00 21.04 H new ATOM 0 HA TYR A 70 -1.766 2.735 2.165 1.00 24.23 H new ATOM 0 HB2 TYR A 70 -2.718 1.225 4.606 1.00 23.50 H new ATOM 0 HB3 TYR A 70 -1.340 0.865 3.586 1.00 23.50 H new ATOM 0 HD1 TYR A 70 0.311 3.084 3.347 1.00 74.13 H new ATOM 0 HD2 TYR A 70 -2.207 2.180 6.657 1.00 73.24 H new ATOM 0 HE1 TYR A 70 1.687 4.516 4.780 1.00 62.21 H new ATOM 0 HE2 TYR A 70 -0.863 3.642 8.081 1.00 33.13 H new ATOM 0 HH TYR A 70 0.888 4.994 8.219 1.00 72.05 H new ATOM 301 N GLU A 71 -3.412 1.623 0.849 1.00 13.23 N ATOM 302 CA GLU A 71 -4.239 0.843 -0.026 1.00 22.41 C ATOM 303 C GLU A 71 -3.653 -0.546 -0.084 1.00 10.00 C ATOM 304 O GLU A 71 -2.468 -0.694 -0.355 1.00 51.31 O ATOM 305 CB GLU A 71 -4.228 1.440 -1.443 1.00 11.43 C ATOM 306 CG GLU A 71 -4.949 0.582 -2.478 1.00 2.02 C ATOM 307 CD GLU A 71 -4.653 0.990 -3.910 1.00 54.31 C ATOM 308 OE1 GLU A 71 -3.463 1.238 -4.255 1.00 75.23 O ATOM 309 OE2 GLU A 71 -5.596 1.026 -4.736 1.00 1.31 O ATOM 0 H GLU A 71 -2.659 2.115 0.368 1.00 13.23 H new ATOM 0 HA GLU A 71 -5.264 0.831 0.343 1.00 22.41 H new ATOM 0 HB2 GLU A 71 -4.692 2.426 -1.415 1.00 11.43 H new ATOM 0 HB3 GLU A 71 -3.195 1.583 -1.759 1.00 11.43 H new ATOM 0 HG2 GLU A 71 -4.663 -0.460 -2.338 1.00 2.02 H new ATOM 0 HG3 GLU A 71 -6.023 0.643 -2.305 1.00 2.02 H new ATOM 316 N CYS A 72 -4.444 -1.528 0.240 1.00 75.34 N ATOM 317 CA CYS A 72 -4.030 -2.913 0.094 1.00 74.14 C ATOM 318 C CYS A 72 -3.779 -3.258 -1.390 1.00 24.14 C ATOM 319 O CYS A 72 -4.443 -2.747 -2.289 1.00 3.54 O ATOM 320 CB CYS A 72 -5.133 -3.869 0.547 1.00 50.51 C ATOM 321 SG CYS A 72 -5.673 -3.865 2.295 1.00 72.32 S ATOM 0 H CYS A 72 -5.386 -1.404 0.610 1.00 75.34 H new ATOM 0 HA CYS A 72 -3.129 -3.024 0.697 1.00 74.14 H new ATOM 0 HB2 CYS A 72 -6.011 -3.667 -0.066 1.00 50.51 H new ATOM 0 HB3 CYS A 72 -4.805 -4.881 0.310 1.00 50.51 H new ATOM 0 HG CYS A 72 -6.914 -4.245 2.367 1.00 72.32 H new ATOM 326 N LYS A 73 -2.853 -4.146 -1.625 1.00 23.11 N ATOM 327 CA LYS A 73 -2.657 -4.703 -2.941 1.00 73.15 C ATOM 328 C LYS A 73 -3.741 -5.753 -3.206 1.00 45.14 C ATOM 329 O LYS A 73 -4.115 -6.018 -4.339 1.00 62.32 O ATOM 330 CB LYS A 73 -1.222 -5.326 -3.031 1.00 10.52 C ATOM 331 CG LYS A 73 -0.907 -6.121 -4.306 1.00 73.42 C ATOM 332 CD LYS A 73 -1.336 -7.581 -4.202 1.00 2.44 C ATOM 333 CE LYS A 73 -1.500 -8.218 -5.564 1.00 33.14 C ATOM 334 NZ LYS A 73 -0.259 -8.253 -6.368 1.00 24.34 N ATOM 0 H LYS A 73 -2.214 -4.505 -0.915 1.00 23.11 H new ATOM 0 HA LYS A 73 -2.738 -3.926 -3.701 1.00 73.15 H new ATOM 0 HB2 LYS A 73 -0.493 -4.521 -2.940 1.00 10.52 H new ATOM 0 HB3 LYS A 73 -1.079 -5.983 -2.173 1.00 10.52 H new ATOM 0 HG2 LYS A 73 -1.410 -5.657 -5.154 1.00 73.42 H new ATOM 0 HG3 LYS A 73 0.163 -6.073 -4.506 1.00 73.42 H new ATOM 0 HD2 LYS A 73 -0.595 -8.137 -3.628 1.00 2.44 H new ATOM 0 HD3 LYS A 73 -2.277 -7.645 -3.655 1.00 2.44 H new ATOM 0 HE2 LYS A 73 -1.865 -9.237 -5.435 1.00 33.14 H new ATOM 0 HE3 LYS A 73 -2.264 -7.673 -6.118 1.00 33.14 H new ATOM 0 HZ1 LYS A 73 -0.470 -8.625 -7.316 1.00 24.34 H new ATOM 0 HZ2 LYS A 73 0.128 -7.291 -6.452 1.00 24.34 H new ATOM 0 HZ3 LYS A 73 0.439 -8.867 -5.902 1.00 24.34 H new ATOM 348 N TYR A 74 -4.288 -6.272 -2.135 1.00 21.30 N ATOM 349 CA TYR A 74 -5.133 -7.444 -2.198 1.00 73.10 C ATOM 350 C TYR A 74 -6.598 -7.070 -2.189 1.00 24.40 C ATOM 351 O TYR A 74 -7.464 -7.930 -2.282 1.00 22.02 O ATOM 352 CB TYR A 74 -4.823 -8.361 -1.011 1.00 3.34 C ATOM 353 CG TYR A 74 -3.525 -8.018 -0.290 1.00 30.32 C ATOM 354 CD1 TYR A 74 -2.301 -8.433 -0.775 1.00 2.12 C ATOM 355 CD2 TYR A 74 -3.541 -7.266 0.876 1.00 31.22 C ATOM 356 CE1 TYR A 74 -1.136 -8.109 -0.116 1.00 21.52 C ATOM 357 CE2 TYR A 74 -2.386 -6.942 1.539 1.00 5.13 C ATOM 358 CZ TYR A 74 -1.187 -7.365 1.044 1.00 24.32 C ATOM 359 OH TYR A 74 -0.029 -7.046 1.706 1.00 62.30 O ATOM 0 H TYR A 74 -4.162 -5.896 -1.195 1.00 21.30 H new ATOM 0 HA TYR A 74 -4.926 -7.965 -3.133 1.00 73.10 H new ATOM 0 HB2 TYR A 74 -5.647 -8.310 -0.300 1.00 3.34 H new ATOM 0 HB3 TYR A 74 -4.770 -9.391 -1.364 1.00 3.34 H new ATOM 0 HD1 TYR A 74 -2.257 -9.018 -1.682 1.00 2.12 H new ATOM 0 HD2 TYR A 74 -4.487 -6.927 1.271 1.00 31.22 H new ATOM 0 HE1 TYR A 74 -0.184 -8.437 -0.507 1.00 21.52 H new ATOM 0 HE2 TYR A 74 -2.425 -6.357 2.446 1.00 5.13 H new ATOM 0 HH TYR A 74 -0.243 -6.517 2.503 1.00 62.30 H new ATOM 369 N CYS A 75 -6.864 -5.802 -2.079 1.00 21.20 N ATOM 370 CA CYS A 75 -8.208 -5.292 -2.054 1.00 64.50 C ATOM 371 C CYS A 75 -8.131 -3.801 -2.215 1.00 20.12 C ATOM 372 O CYS A 75 -7.200 -3.186 -1.715 1.00 23.22 O ATOM 373 CB CYS A 75 -8.903 -5.667 -0.717 1.00 64.21 C ATOM 374 SG CYS A 75 -8.186 -4.915 0.828 1.00 70.24 S ATOM 0 H CYS A 75 -6.146 -5.081 -2.003 1.00 21.20 H new ATOM 0 HA CYS A 75 -8.798 -5.727 -2.861 1.00 64.50 H new ATOM 0 HB2 CYS A 75 -9.951 -5.376 -0.784 1.00 64.21 H new ATOM 0 HB3 CYS A 75 -8.879 -6.752 -0.612 1.00 64.21 H new ATOM 0 HG CYS A 75 -7.025 -5.448 1.072 1.00 70.24 H new ATOM 379 N THR A 76 -9.054 -3.206 -2.909 1.00 1.31 N ATOM 380 CA THR A 76 -8.997 -1.788 -3.055 1.00 14.44 C ATOM 381 C THR A 76 -9.771 -1.122 -1.920 1.00 2.21 C ATOM 382 O THR A 76 -10.955 -0.815 -2.038 1.00 60.12 O ATOM 383 CB THR A 76 -9.490 -1.323 -4.437 1.00 20.22 C ATOM 384 OG1 THR A 76 -8.783 -2.083 -5.448 1.00 54.31 O ATOM 385 CG2 THR A 76 -9.191 0.159 -4.636 1.00 72.34 C ATOM 0 H THR A 76 -9.836 -3.669 -3.372 1.00 1.31 H new ATOM 0 HA THR A 76 -7.953 -1.480 -2.992 1.00 14.44 H new ATOM 0 HB THR A 76 -10.566 -1.479 -4.512 1.00 20.22 H new ATOM 0 HG1 THR A 76 -9.084 -1.803 -6.338 1.00 54.31 H new ATOM 0 HG21 THR A 76 -9.545 0.473 -5.618 1.00 72.34 H new ATOM 0 HG22 THR A 76 -9.698 0.739 -3.865 1.00 72.34 H new ATOM 0 HG23 THR A 76 -8.116 0.326 -4.568 1.00 72.34 H new ATOM 393 N PHE A 77 -9.111 -1.048 -0.788 1.00 2.42 N ATOM 394 CA PHE A 77 -9.607 -0.409 0.406 1.00 2.45 C ATOM 395 C PHE A 77 -8.442 0.261 1.043 1.00 12.43 C ATOM 396 O PHE A 77 -7.332 -0.304 1.050 1.00 33.03 O ATOM 397 CB PHE A 77 -10.225 -1.412 1.404 1.00 43.01 C ATOM 398 CG PHE A 77 -11.450 -2.111 0.905 1.00 33.14 C ATOM 399 CD1 PHE A 77 -12.642 -1.425 0.771 1.00 41.12 C ATOM 400 CD2 PHE A 77 -11.410 -3.444 0.559 1.00 65.31 C ATOM 401 CE1 PHE A 77 -13.767 -2.060 0.303 1.00 20.21 C ATOM 402 CE2 PHE A 77 -12.532 -4.086 0.093 1.00 40.32 C ATOM 403 CZ PHE A 77 -13.712 -3.393 -0.036 1.00 63.34 C ATOM 0 H PHE A 77 -8.179 -1.446 -0.670 1.00 2.42 H new ATOM 0 HA PHE A 77 -10.399 0.290 0.137 1.00 2.45 H new ATOM 0 HB2 PHE A 77 -9.474 -2.160 1.659 1.00 43.01 H new ATOM 0 HB3 PHE A 77 -10.474 -0.883 2.324 1.00 43.01 H new ATOM 0 HD1 PHE A 77 -12.690 -0.379 1.037 1.00 41.12 H new ATOM 0 HD2 PHE A 77 -10.484 -3.992 0.655 1.00 65.31 H new ATOM 0 HE1 PHE A 77 -14.693 -1.514 0.201 1.00 20.21 H new ATOM 0 HE2 PHE A 77 -12.487 -5.132 -0.171 1.00 40.32 H new ATOM 0 HZ PHE A 77 -14.596 -3.894 -0.403 1.00 63.34 H new ATOM 413 N GLN A 78 -8.652 1.430 1.561 1.00 0.53 N ATOM 414 CA GLN A 78 -7.579 2.179 2.114 1.00 1.55 C ATOM 415 C GLN A 78 -7.850 2.661 3.519 1.00 14.15 C ATOM 416 O GLN A 78 -8.945 3.135 3.836 1.00 55.22 O ATOM 417 CB GLN A 78 -7.241 3.357 1.211 1.00 10.54 C ATOM 418 CG GLN A 78 -6.280 4.326 1.834 1.00 3.34 C ATOM 419 CD GLN A 78 -5.721 5.294 0.864 1.00 61.31 C ATOM 420 OE1 GLN A 78 -6.220 6.368 0.644 1.00 72.31 O ATOM 421 NE2 GLN A 78 -4.645 4.928 0.331 1.00 75.41 N ATOM 0 H GLN A 78 -9.564 1.885 1.610 1.00 0.53 H new ATOM 0 HA GLN A 78 -6.727 1.502 2.176 1.00 1.55 H new ATOM 0 HB2 GLN A 78 -6.816 2.982 0.280 1.00 10.54 H new ATOM 0 HB3 GLN A 78 -8.160 3.883 0.952 1.00 10.54 H new ATOM 0 HG2 GLN A 78 -6.787 4.871 2.630 1.00 3.34 H new ATOM 0 HG3 GLN A 78 -5.463 3.772 2.297 1.00 3.34 H new ATOM 0 HE21 GLN A 78 -4.257 4.009 0.545 1.00 75.41 H new ATOM 0 HE22 GLN A 78 -4.159 5.549 -0.316 1.00 75.41 H new ATOM 430 N THR A 79 -6.850 2.548 4.343 1.00 24.14 N ATOM 431 CA THR A 79 -6.883 3.101 5.648 1.00 2.30 C ATOM 432 C THR A 79 -5.516 3.738 5.934 1.00 62.44 C ATOM 433 O THR A 79 -4.482 3.123 5.708 1.00 54.41 O ATOM 434 CB THR A 79 -7.280 2.060 6.753 1.00 11.03 C ATOM 435 OG1 THR A 79 -7.378 2.713 8.014 1.00 62.54 O ATOM 436 CG2 THR A 79 -6.269 0.942 6.873 1.00 30.23 C ATOM 0 H THR A 79 -5.982 2.062 4.117 1.00 24.14 H new ATOM 0 HA THR A 79 -7.666 3.858 5.684 1.00 2.30 H new ATOM 0 HB THR A 79 -8.238 1.630 6.460 1.00 11.03 H new ATOM 0 HG1 THR A 79 -7.919 2.169 8.623 1.00 62.54 H new ATOM 0 HG21 THR A 79 -6.586 0.246 7.650 1.00 30.23 H new ATOM 0 HG22 THR A 79 -6.195 0.415 5.922 1.00 30.23 H new ATOM 0 HG23 THR A 79 -5.296 1.358 7.134 1.00 30.23 H new ATOM 444 N PRO A 80 -5.486 5.022 6.281 1.00 3.20 N ATOM 445 CA PRO A 80 -4.246 5.718 6.673 1.00 63.13 C ATOM 446 C PRO A 80 -3.727 5.285 8.032 1.00 11.44 C ATOM 447 O PRO A 80 -2.692 5.768 8.498 1.00 74.12 O ATOM 448 CB PRO A 80 -4.646 7.193 6.689 1.00 51.13 C ATOM 449 CG PRO A 80 -6.115 7.183 6.887 1.00 0.42 C ATOM 450 CD PRO A 80 -6.628 5.937 6.222 1.00 14.54 C ATOM 0 HA PRO A 80 -3.430 5.495 5.986 1.00 63.13 H new ATOM 0 HB2 PRO A 80 -4.142 7.731 7.492 1.00 51.13 H new ATOM 0 HB3 PRO A 80 -4.376 7.687 5.756 1.00 51.13 H new ATOM 0 HG2 PRO A 80 -6.363 7.186 7.948 1.00 0.42 H new ATOM 0 HG3 PRO A 80 -6.571 8.071 6.450 1.00 0.42 H new ATOM 0 HD2 PRO A 80 -7.495 5.531 6.744 1.00 14.54 H new ATOM 0 HD3 PRO A 80 -6.936 6.129 5.194 1.00 14.54 H new ATOM 458 N ASP A 81 -4.435 4.388 8.659 1.00 22.42 N ATOM 459 CA ASP A 81 -4.041 3.888 9.940 1.00 60.25 C ATOM 460 C ASP A 81 -3.247 2.655 9.725 1.00 24.21 C ATOM 461 O ASP A 81 -3.751 1.709 9.143 1.00 14.03 O ATOM 462 CB ASP A 81 -5.234 3.480 10.728 1.00 22.35 C ATOM 463 CG ASP A 81 -4.989 3.551 12.196 1.00 23.54 C ATOM 464 OD1 ASP A 81 -4.414 2.613 12.743 1.00 14.22 O ATOM 465 OD2 ASP A 81 -5.369 4.551 12.831 1.00 1.21 O ATOM 0 H ASP A 81 -5.299 3.986 8.295 1.00 22.42 H new ATOM 0 HA ASP A 81 -3.484 4.665 10.464 1.00 60.25 H new ATOM 0 HB2 ASP A 81 -6.075 4.123 10.470 1.00 22.35 H new ATOM 0 HB3 ASP A 81 -5.516 2.463 10.457 1.00 22.35 H new ATOM 470 N LEU A 82 -2.025 2.650 10.157 1.00 3.21 N ATOM 471 CA LEU A 82 -1.197 1.496 10.038 1.00 61.21 C ATOM 472 C LEU A 82 -1.792 0.357 10.851 1.00 53.10 C ATOM 473 O LEU A 82 -1.850 -0.747 10.367 1.00 23.14 O ATOM 474 CB LEU A 82 0.225 1.796 10.511 1.00 10.35 C ATOM 475 CG LEU A 82 1.382 0.998 9.859 1.00 54.52 C ATOM 476 CD1 LEU A 82 1.159 -0.496 9.903 1.00 32.14 C ATOM 477 CD2 LEU A 82 1.578 1.442 8.446 1.00 34.12 C ATOM 0 H LEU A 82 -1.574 3.449 10.603 1.00 3.21 H new ATOM 0 HA LEU A 82 -1.150 1.205 8.989 1.00 61.21 H new ATOM 0 HB2 LEU A 82 0.416 2.857 10.349 1.00 10.35 H new ATOM 0 HB3 LEU A 82 0.264 1.626 11.587 1.00 10.35 H new ATOM 0 HG LEU A 82 2.279 1.205 10.442 1.00 54.52 H new ATOM 0 HD11 LEU A 82 2.001 -1.004 9.432 1.00 32.14 H new ATOM 0 HD12 LEU A 82 1.073 -0.821 10.940 1.00 32.14 H new ATOM 0 HD13 LEU A 82 0.242 -0.743 9.369 1.00 32.14 H new ATOM 0 HD21 LEU A 82 2.393 0.875 7.996 1.00 34.12 H new ATOM 0 HD22 LEU A 82 0.662 1.271 7.880 1.00 34.12 H new ATOM 0 HD23 LEU A 82 1.822 2.504 8.429 1.00 34.12 H new ATOM 489 N ASN A 83 -2.288 0.645 12.058 1.00 75.24 N ATOM 490 CA ASN A 83 -2.824 -0.384 12.914 1.00 42.21 C ATOM 491 C ASN A 83 -3.980 -1.029 12.236 1.00 73.34 C ATOM 492 O ASN A 83 -4.055 -2.232 12.167 1.00 61.10 O ATOM 493 CB ASN A 83 -3.322 0.192 14.218 1.00 73.42 C ATOM 494 CG ASN A 83 -3.760 -0.882 15.179 1.00 71.03 C ATOM 495 OD1 ASN A 83 -2.971 -1.375 15.983 1.00 15.34 O ATOM 496 ND2 ASN A 83 -5.001 -1.260 15.115 1.00 60.20 N ATOM 0 H ASN A 83 -2.324 1.585 12.452 1.00 75.24 H new ATOM 0 HA ASN A 83 -2.028 -1.100 13.115 1.00 42.21 H new ATOM 0 HB2 ASN A 83 -2.533 0.788 14.676 1.00 73.42 H new ATOM 0 HB3 ASN A 83 -4.157 0.865 14.022 1.00 73.42 H new ATOM 0 HD21 ASN A 83 -5.346 -1.986 15.743 1.00 60.20 H new ATOM 0 HD22 ASN A 83 -5.630 -0.831 14.437 1.00 60.20 H new ATOM 503 N MET A 84 -4.865 -0.209 11.695 1.00 10.33 N ATOM 504 CA MET A 84 -6.049 -0.727 11.040 1.00 73.11 C ATOM 505 C MET A 84 -5.647 -1.434 9.791 1.00 33.14 C ATOM 506 O MET A 84 -6.210 -2.465 9.463 1.00 23.13 O ATOM 507 CB MET A 84 -7.075 0.351 10.712 1.00 21.50 C ATOM 508 CG MET A 84 -7.508 1.188 11.893 1.00 42.23 C ATOM 509 SD MET A 84 -8.207 0.224 13.249 1.00 3.51 S ATOM 510 CE MET A 84 -8.680 1.542 14.369 1.00 64.01 C ATOM 0 H MET A 84 -4.786 0.808 11.697 1.00 10.33 H new ATOM 0 HA MET A 84 -6.529 -1.413 11.738 1.00 73.11 H new ATOM 0 HB2 MET A 84 -6.659 1.010 9.950 1.00 21.50 H new ATOM 0 HB3 MET A 84 -7.955 -0.124 10.278 1.00 21.50 H new ATOM 0 HG2 MET A 84 -6.650 1.750 12.263 1.00 42.23 H new ATOM 0 HG3 MET A 84 -8.246 1.917 11.559 1.00 42.23 H new ATOM 0 HE1 MET A 84 -9.131 1.114 15.264 1.00 64.01 H new ATOM 0 HE2 MET A 84 -7.797 2.118 14.647 1.00 64.01 H new ATOM 0 HE3 MET A 84 -9.400 2.197 13.877 1.00 64.01 H new ATOM 520 N PHE A 85 -4.644 -0.895 9.112 1.00 55.52 N ATOM 521 CA PHE A 85 -4.136 -1.528 7.912 1.00 42.01 C ATOM 522 C PHE A 85 -3.575 -2.910 8.212 1.00 70.22 C ATOM 523 O PHE A 85 -4.027 -3.894 7.650 1.00 34.43 O ATOM 524 CB PHE A 85 -3.061 -0.662 7.229 1.00 51.30 C ATOM 525 CG PHE A 85 -2.357 -1.387 6.109 1.00 12.41 C ATOM 526 CD1 PHE A 85 -2.949 -1.534 4.846 1.00 12.11 C ATOM 527 CD2 PHE A 85 -1.106 -1.943 6.329 1.00 15.20 C ATOM 528 CE1 PHE A 85 -2.295 -2.221 3.846 1.00 51.50 C ATOM 529 CE2 PHE A 85 -0.455 -2.629 5.328 1.00 12.43 C ATOM 530 CZ PHE A 85 -1.050 -2.767 4.084 1.00 11.44 C ATOM 0 H PHE A 85 -4.172 -0.029 9.372 1.00 55.52 H new ATOM 0 HA PHE A 85 -4.978 -1.635 7.228 1.00 42.01 H new ATOM 0 HB2 PHE A 85 -3.524 0.243 6.836 1.00 51.30 H new ATOM 0 HB3 PHE A 85 -2.327 -0.348 7.971 1.00 51.30 H new ATOM 0 HD1 PHE A 85 -3.922 -1.107 4.656 1.00 12.11 H new ATOM 0 HD2 PHE A 85 -0.637 -1.837 7.296 1.00 15.20 H new ATOM 0 HE1 PHE A 85 -2.757 -2.332 2.876 1.00 51.50 H new ATOM 0 HE2 PHE A 85 0.518 -3.059 5.512 1.00 12.43 H new ATOM 0 HZ PHE A 85 -0.538 -3.303 3.299 1.00 11.44 H new ATOM 540 N THR A 86 -2.648 -2.983 9.143 1.00 42.20 N ATOM 541 CA THR A 86 -1.996 -4.231 9.452 1.00 0.52 C ATOM 542 C THR A 86 -2.969 -5.188 10.131 1.00 43.51 C ATOM 543 O THR A 86 -2.833 -6.398 10.013 1.00 21.35 O ATOM 544 CB THR A 86 -0.662 -4.046 10.259 1.00 65.33 C ATOM 545 OG1 THR A 86 -0.004 -5.304 10.458 1.00 34.13 O ATOM 546 CG2 THR A 86 -0.899 -3.386 11.597 1.00 25.34 C ATOM 0 H THR A 86 -2.330 -2.189 9.699 1.00 42.20 H new ATOM 0 HA THR A 86 -1.691 -4.682 8.508 1.00 0.52 H new ATOM 0 HB THR A 86 -0.023 -3.394 9.663 1.00 65.33 H new ATOM 0 HG1 THR A 86 0.825 -5.164 10.961 1.00 34.13 H new ATOM 0 HG21 THR A 86 0.050 -3.277 12.122 1.00 25.34 H new ATOM 0 HG22 THR A 86 -1.344 -2.403 11.444 1.00 25.34 H new ATOM 0 HG23 THR A 86 -1.574 -4.001 12.192 1.00 25.34 H new ATOM 554 N PHE A 87 -3.970 -4.632 10.796 1.00 35.43 N ATOM 555 CA PHE A 87 -5.027 -5.422 11.382 1.00 14.31 C ATOM 556 C PHE A 87 -5.832 -6.067 10.280 1.00 11.34 C ATOM 557 O PHE A 87 -5.966 -7.274 10.232 1.00 62.30 O ATOM 558 CB PHE A 87 -5.939 -4.567 12.280 1.00 2.32 C ATOM 559 CG PHE A 87 -7.242 -5.243 12.606 1.00 31.54 C ATOM 560 CD1 PHE A 87 -7.273 -6.358 13.425 1.00 22.10 C ATOM 561 CD2 PHE A 87 -8.430 -4.773 12.072 1.00 72.14 C ATOM 562 CE1 PHE A 87 -8.468 -6.992 13.712 1.00 0.33 C ATOM 563 CE2 PHE A 87 -9.630 -5.403 12.356 1.00 51.54 C ATOM 564 CZ PHE A 87 -9.648 -6.511 13.179 1.00 4.52 C ATOM 0 H PHE A 87 -4.067 -3.627 10.941 1.00 35.43 H new ATOM 0 HA PHE A 87 -4.579 -6.191 12.011 1.00 14.31 H new ATOM 0 HB2 PHE A 87 -5.414 -4.336 13.207 1.00 2.32 H new ATOM 0 HB3 PHE A 87 -6.142 -3.618 11.784 1.00 2.32 H new ATOM 0 HD1 PHE A 87 -6.353 -6.737 13.845 1.00 22.10 H new ATOM 0 HD2 PHE A 87 -8.421 -3.906 11.428 1.00 72.14 H new ATOM 0 HE1 PHE A 87 -8.479 -7.862 14.352 1.00 0.33 H new ATOM 0 HE2 PHE A 87 -10.551 -5.028 11.934 1.00 51.54 H new ATOM 0 HZ PHE A 87 -10.583 -7.001 13.406 1.00 4.52 H new ATOM 574 N HIS A 88 -6.328 -5.239 9.385 1.00 22.42 N ATOM 575 CA HIS A 88 -7.101 -5.660 8.236 1.00 35.41 C ATOM 576 C HIS A 88 -6.294 -6.640 7.378 1.00 62.25 C ATOM 577 O HIS A 88 -6.838 -7.558 6.784 1.00 33.34 O ATOM 578 CB HIS A 88 -7.556 -4.390 7.474 1.00 72.40 C ATOM 579 CG HIS A 88 -8.034 -4.553 6.065 1.00 74.24 C ATOM 580 ND1 HIS A 88 -9.345 -4.766 5.704 1.00 50.14 N ATOM 581 CD2 HIS A 88 -7.339 -4.457 4.918 1.00 21.21 C ATOM 582 CE1 HIS A 88 -9.418 -4.784 4.378 1.00 24.33 C ATOM 583 NE2 HIS A 88 -8.199 -4.599 3.826 1.00 33.23 N ATOM 0 H HIS A 88 -6.201 -4.228 9.438 1.00 22.42 H new ATOM 0 HA HIS A 88 -7.994 -6.208 8.536 1.00 35.41 H new ATOM 0 HB2 HIS A 88 -8.358 -3.925 8.048 1.00 72.40 H new ATOM 0 HB3 HIS A 88 -6.722 -3.688 7.465 1.00 72.40 H new ATOM 0 HD1 HIS A 88 -10.128 -4.889 6.346 1.00 50.14 H new ATOM 0 HD2 HIS A 88 -6.273 -4.294 4.851 1.00 21.21 H new ATOM 0 HE1 HIS A 88 -10.329 -4.927 3.817 1.00 24.33 H new ATOM 591 N VAL A 89 -5.004 -6.465 7.359 1.00 3.44 N ATOM 592 CA VAL A 89 -4.134 -7.360 6.672 1.00 65.54 C ATOM 593 C VAL A 89 -4.008 -8.658 7.422 1.00 65.21 C ATOM 594 O VAL A 89 -4.334 -9.665 6.900 1.00 72.32 O ATOM 595 CB VAL A 89 -2.745 -6.744 6.401 1.00 24.04 C ATOM 596 CG1 VAL A 89 -1.761 -7.785 5.869 1.00 12.21 C ATOM 597 CG2 VAL A 89 -2.867 -5.618 5.403 1.00 52.31 C ATOM 0 H VAL A 89 -4.529 -5.691 7.824 1.00 3.44 H new ATOM 0 HA VAL A 89 -4.585 -7.559 5.700 1.00 65.54 H new ATOM 0 HB VAL A 89 -2.362 -6.364 7.348 1.00 24.04 H new ATOM 0 HG11 VAL A 89 -0.794 -7.314 5.690 1.00 12.21 H new ATOM 0 HG12 VAL A 89 -1.645 -8.584 6.601 1.00 12.21 H new ATOM 0 HG13 VAL A 89 -2.140 -8.201 4.935 1.00 12.21 H new ATOM 0 HG21 VAL A 89 -1.883 -5.188 5.217 1.00 52.31 H new ATOM 0 HG22 VAL A 89 -3.278 -6.002 4.469 1.00 52.31 H new ATOM 0 HG23 VAL A 89 -3.529 -4.849 5.801 1.00 52.31 H new ATOM 607 N ASP A 90 -3.650 -8.617 8.679 1.00 53.43 N ATOM 608 CA ASP A 90 -3.404 -9.858 9.417 1.00 45.21 C ATOM 609 C ASP A 90 -4.707 -10.639 9.609 1.00 64.42 C ATOM 610 O ASP A 90 -4.712 -11.868 9.765 1.00 31.35 O ATOM 611 CB ASP A 90 -2.750 -9.557 10.760 1.00 34.10 C ATOM 612 CG ASP A 90 -2.211 -10.788 11.434 1.00 2.05 C ATOM 613 OD1 ASP A 90 -1.071 -11.204 11.101 1.00 74.40 O ATOM 614 OD2 ASP A 90 -2.871 -11.335 12.337 1.00 33.42 O ATOM 0 H ASP A 90 -3.520 -7.761 9.218 1.00 53.43 H new ATOM 0 HA ASP A 90 -2.721 -10.477 8.835 1.00 45.21 H new ATOM 0 HB2 ASP A 90 -1.939 -8.844 10.612 1.00 34.10 H new ATOM 0 HB3 ASP A 90 -3.479 -9.079 11.415 1.00 34.10 H new ATOM 619 N SER A 91 -5.799 -9.930 9.555 1.00 53.43 N ATOM 620 CA SER A 91 -7.092 -10.521 9.700 1.00 72.45 C ATOM 621 C SER A 91 -7.601 -11.063 8.361 1.00 42.15 C ATOM 622 O SER A 91 -7.974 -12.243 8.263 1.00 72.10 O ATOM 623 CB SER A 91 -8.084 -9.478 10.258 1.00 25.54 C ATOM 624 OG SER A 91 -9.377 -10.029 10.511 1.00 3.51 O ATOM 0 H SER A 91 -5.813 -8.921 9.408 1.00 53.43 H new ATOM 0 HA SER A 91 -7.012 -11.355 10.397 1.00 72.45 H new ATOM 0 HB2 SER A 91 -7.684 -9.060 11.182 1.00 25.54 H new ATOM 0 HB3 SER A 91 -8.176 -8.655 9.550 1.00 25.54 H new ATOM 0 HG SER A 91 -9.913 -9.996 9.691 1.00 3.51 H new ATOM 630 N GLU A 92 -7.556 -10.244 7.323 1.00 33.00 N ATOM 631 CA GLU A 92 -8.236 -10.592 6.078 1.00 21.10 C ATOM 632 C GLU A 92 -7.280 -11.020 4.983 1.00 54.43 C ATOM 633 O GLU A 92 -7.687 -11.668 4.010 1.00 44.22 O ATOM 634 CB GLU A 92 -9.099 -9.424 5.602 1.00 11.41 C ATOM 635 CG GLU A 92 -10.063 -8.913 6.659 1.00 33.32 C ATOM 636 CD GLU A 92 -11.002 -9.982 7.176 1.00 50.35 C ATOM 637 OE1 GLU A 92 -11.982 -10.323 6.479 1.00 4.11 O ATOM 638 OE2 GLU A 92 -10.787 -10.489 8.298 1.00 3.12 O ATOM 0 H GLU A 92 -7.067 -9.349 7.312 1.00 33.00 H new ATOM 0 HA GLU A 92 -8.871 -11.451 6.295 1.00 21.10 H new ATOM 0 HB2 GLU A 92 -8.449 -8.607 5.288 1.00 11.41 H new ATOM 0 HB3 GLU A 92 -9.666 -9.735 4.725 1.00 11.41 H new ATOM 0 HG2 GLU A 92 -9.494 -8.504 7.494 1.00 33.32 H new ATOM 0 HG3 GLU A 92 -10.649 -8.094 6.242 1.00 33.32 H new ATOM 645 N HIS A 93 -6.030 -10.676 5.123 1.00 50.02 N ATOM 646 CA HIS A 93 -5.018 -11.038 4.117 1.00 4.33 C ATOM 647 C HIS A 93 -3.722 -11.528 4.829 1.00 72.22 C ATOM 648 O HIS A 93 -2.641 -11.003 4.562 1.00 40.13 O ATOM 649 CB HIS A 93 -4.633 -9.815 3.249 1.00 64.32 C ATOM 650 CG HIS A 93 -5.733 -8.842 2.871 1.00 40.43 C ATOM 651 ND1 HIS A 93 -6.751 -9.117 1.990 1.00 40.01 N ATOM 652 CD2 HIS A 93 -5.912 -7.543 3.257 1.00 4.41 C ATOM 653 CE1 HIS A 93 -7.499 -8.024 1.856 1.00 61.03 C ATOM 654 NE2 HIS A 93 -7.026 -7.013 2.613 1.00 61.24 N ATOM 0 H HIS A 93 -5.668 -10.146 5.916 1.00 50.02 H new ATOM 0 HA HIS A 93 -5.444 -11.820 3.488 1.00 4.33 H new ATOM 0 HB2 HIS A 93 -3.861 -9.258 3.779 1.00 64.32 H new ATOM 0 HB3 HIS A 93 -4.183 -10.186 2.328 1.00 64.32 H new ATOM 0 HD2 HIS A 93 -5.284 -7.009 3.955 1.00 4.41 H new ATOM 0 HE1 HIS A 93 -8.371 -7.956 1.223 1.00 61.03 H new ATOM 0 HE2 HIS A 93 -7.402 -6.068 2.695 1.00 61.24 H new ATOM 755 N SER A 100 3.177 -9.386 -8.954 1.00 60.22 N ATOM 756 CA SER A 100 4.207 -8.490 -8.513 1.00 65.23 C ATOM 757 C SER A 100 3.639 -7.103 -8.261 1.00 43.04 C ATOM 758 O SER A 100 2.747 -6.621 -8.973 1.00 44.11 O ATOM 759 CB SER A 100 5.331 -8.453 -9.552 1.00 53.14 C ATOM 760 OG SER A 100 4.813 -8.183 -10.850 1.00 23.31 O ATOM 0 HA SER A 100 4.618 -8.849 -7.570 1.00 65.23 H new ATOM 0 HB2 SER A 100 6.058 -7.688 -9.280 1.00 53.14 H new ATOM 0 HB3 SER A 100 5.858 -9.407 -9.558 1.00 53.14 H new ATOM 0 HG SER A 100 3.881 -8.482 -10.899 1.00 23.31 H new ATOM 766 N SER A 101 4.121 -6.502 -7.212 1.00 71.25 N ATOM 767 CA SER A 101 3.658 -5.278 -6.696 1.00 5.31 C ATOM 768 C SER A 101 4.773 -4.698 -5.867 1.00 11.30 C ATOM 769 O SER A 101 5.826 -5.348 -5.710 1.00 61.43 O ATOM 770 CB SER A 101 2.439 -5.559 -5.832 1.00 34.41 C ATOM 771 OG SER A 101 1.371 -6.111 -6.607 1.00 24.25 O ATOM 0 H SER A 101 4.895 -6.890 -6.672 1.00 71.25 H new ATOM 0 HA SER A 101 3.378 -4.577 -7.483 1.00 5.31 H new ATOM 0 HB2 SER A 101 2.708 -6.251 -5.034 1.00 34.41 H new ATOM 0 HB3 SER A 101 2.107 -4.636 -5.356 1.00 34.41 H new ATOM 0 HG SER A 101 0.648 -5.453 -6.683 1.00 24.25 H new ATOM 777 N TYR A 102 4.581 -3.515 -5.374 1.00 64.32 N ATOM 778 CA TYR A 102 5.567 -2.862 -4.566 1.00 1.41 C ATOM 779 C TYR A 102 5.022 -2.647 -3.177 1.00 10.24 C ATOM 780 O TYR A 102 3.807 -2.452 -2.998 1.00 20.24 O ATOM 781 CB TYR A 102 5.950 -1.513 -5.140 1.00 71.30 C ATOM 782 CG TYR A 102 6.826 -1.465 -6.377 1.00 53.12 C ATOM 783 CD1 TYR A 102 6.863 -2.496 -7.304 1.00 14.24 C ATOM 784 CD2 TYR A 102 7.605 -0.339 -6.621 1.00 62.10 C ATOM 785 CE1 TYR A 102 7.647 -2.418 -8.432 1.00 1.21 C ATOM 786 CE2 TYR A 102 8.399 -0.253 -7.752 1.00 2.12 C ATOM 787 CZ TYR A 102 8.413 -1.301 -8.652 1.00 44.03 C ATOM 788 OH TYR A 102 9.193 -1.234 -9.790 1.00 13.14 O ATOM 0 H TYR A 102 3.731 -2.970 -5.521 1.00 64.32 H new ATOM 0 HA TYR A 102 6.450 -3.501 -4.542 1.00 1.41 H new ATOM 0 HB2 TYR A 102 5.028 -0.978 -5.368 1.00 71.30 H new ATOM 0 HB3 TYR A 102 6.458 -0.953 -4.355 1.00 71.30 H new ATOM 0 HD1 TYR A 102 6.264 -3.379 -7.137 1.00 14.24 H new ATOM 0 HD2 TYR A 102 7.590 0.481 -5.918 1.00 62.10 H new ATOM 0 HE1 TYR A 102 7.659 -3.232 -9.141 1.00 1.21 H new ATOM 0 HE2 TYR A 102 9.002 0.625 -7.929 1.00 2.12 H new ATOM 0 HH TYR A 102 9.676 -0.382 -9.806 1.00 13.14 H new ATOM 798 N VAL A 103 5.892 -2.681 -2.215 1.00 31.31 N ATOM 799 CA VAL A 103 5.535 -2.471 -0.842 1.00 61.12 C ATOM 800 C VAL A 103 6.462 -1.432 -0.246 1.00 54.21 C ATOM 801 O VAL A 103 7.643 -1.400 -0.534 1.00 44.21 O ATOM 802 CB VAL A 103 5.597 -3.812 -0.011 1.00 73.30 C ATOM 803 CG1 VAL A 103 6.946 -4.380 -0.003 1.00 63.32 C ATOM 804 CG2 VAL A 103 5.154 -3.658 1.415 1.00 21.22 C ATOM 0 H VAL A 103 6.886 -2.858 -2.362 1.00 31.31 H new ATOM 0 HA VAL A 103 4.505 -2.117 -0.799 1.00 61.12 H new ATOM 0 HB VAL A 103 4.901 -4.480 -0.519 1.00 73.30 H new ATOM 0 HG11 VAL A 103 6.949 -5.302 0.579 1.00 63.32 H new ATOM 0 HG12 VAL A 103 7.256 -4.595 -1.026 1.00 63.32 H new ATOM 0 HG13 VAL A 103 7.638 -3.667 0.444 1.00 63.32 H new ATOM 0 HG21 VAL A 103 5.223 -4.620 1.923 1.00 21.22 H new ATOM 0 HG22 VAL A 103 5.794 -2.934 1.919 1.00 21.22 H new ATOM 0 HG23 VAL A 103 4.122 -3.308 1.440 1.00 21.22 H new ATOM 814 N CYS A 104 5.917 -0.573 0.520 1.00 2.52 N ATOM 815 CA CYS A 104 6.661 0.390 1.244 1.00 4.23 C ATOM 816 C CYS A 104 7.179 -0.344 2.431 1.00 71.24 C ATOM 817 O CYS A 104 6.418 -0.684 3.284 1.00 61.54 O ATOM 818 CB CYS A 104 5.651 1.462 1.618 1.00 0.32 C ATOM 819 SG CYS A 104 5.964 2.613 2.963 1.00 70.14 S ATOM 0 H CYS A 104 4.910 -0.514 0.669 1.00 2.52 H new ATOM 0 HA CYS A 104 7.495 0.853 0.717 1.00 4.23 H new ATOM 0 HB2 CYS A 104 5.476 2.059 0.723 1.00 0.32 H new ATOM 0 HB3 CYS A 104 4.716 0.951 1.848 1.00 0.32 H new ATOM 0 HG CYS A 104 5.339 3.730 2.733 1.00 70.14 H new ATOM 824 N VAL A 105 8.442 -0.698 2.424 1.00 23.12 N ATOM 825 CA VAL A 105 9.043 -1.477 3.505 1.00 53.02 C ATOM 826 C VAL A 105 8.998 -0.734 4.798 1.00 64.44 C ATOM 827 O VAL A 105 9.034 -1.342 5.862 1.00 31.33 O ATOM 828 CB VAL A 105 10.513 -1.788 3.257 1.00 31.01 C ATOM 829 CG1 VAL A 105 10.807 -3.204 3.489 1.00 21.45 C ATOM 830 CG2 VAL A 105 10.946 -1.384 1.911 1.00 54.44 C ATOM 0 H VAL A 105 9.090 -0.459 1.674 1.00 23.12 H new ATOM 0 HA VAL A 105 8.460 -2.397 3.545 1.00 53.02 H new ATOM 0 HB VAL A 105 11.082 -1.198 3.976 1.00 31.01 H new ATOM 0 HG11 VAL A 105 11.865 -3.391 3.303 1.00 21.45 H new ATOM 0 HG12 VAL A 105 10.569 -3.461 4.521 1.00 21.45 H new ATOM 0 HG13 VAL A 105 10.206 -3.815 2.816 1.00 21.45 H new ATOM 0 HG21 VAL A 105 12.001 -1.626 1.780 1.00 54.44 H new ATOM 0 HG22 VAL A 105 10.357 -1.916 1.164 1.00 54.44 H new ATOM 0 HG23 VAL A 105 10.802 -0.310 1.789 1.00 54.44 H new ATOM 840 N GLU A 106 8.927 0.578 4.715 1.00 1.22 N ATOM 841 CA GLU A 106 8.944 1.377 5.911 1.00 71.21 C ATOM 842 C GLU A 106 7.642 1.180 6.628 1.00 75.11 C ATOM 843 O GLU A 106 7.585 1.099 7.842 1.00 32.20 O ATOM 844 CB GLU A 106 9.056 2.853 5.615 1.00 54.53 C ATOM 845 CG GLU A 106 9.835 3.258 4.420 1.00 22.41 C ATOM 846 CD GLU A 106 8.861 3.471 3.387 1.00 65.41 C ATOM 847 OE1 GLU A 106 7.867 4.264 3.660 1.00 20.05 O ATOM 848 OE2 GLU A 106 8.914 2.812 2.413 1.00 54.42 O ATOM 0 H GLU A 106 8.858 1.103 3.843 1.00 1.22 H new ATOM 0 HA GLU A 106 9.807 1.065 6.499 1.00 71.21 H new ATOM 0 HB2 GLU A 106 8.047 3.251 5.509 1.00 54.53 H new ATOM 0 HB3 GLU A 106 9.500 3.337 6.485 1.00 54.53 H new ATOM 0 HG2 GLU A 106 10.408 4.165 4.613 1.00 22.41 H new ATOM 0 HG3 GLU A 106 10.548 2.485 4.135 1.00 22.41 H new ATOM 855 N CYS A 107 6.593 1.094 5.851 1.00 62.32 N ATOM 856 CA CYS A 107 5.265 0.993 6.429 1.00 43.54 C ATOM 857 C CYS A 107 4.722 -0.430 6.345 1.00 12.20 C ATOM 858 O CYS A 107 3.729 -0.766 6.983 1.00 33.41 O ATOM 859 CB CYS A 107 4.384 1.966 5.687 1.00 3.51 C ATOM 860 SG CYS A 107 5.177 3.635 5.527 1.00 43.53 S ATOM 0 H CYS A 107 6.623 1.091 4.831 1.00 62.32 H new ATOM 0 HA CYS A 107 5.294 1.238 7.491 1.00 43.54 H new ATOM 0 HB2 CYS A 107 4.164 1.572 4.695 1.00 3.51 H new ATOM 0 HB3 CYS A 107 3.432 2.065 6.209 1.00 3.51 H new ATOM 0 HG CYS A 107 5.975 3.640 4.501 1.00 43.53 H new ATOM 865 N ASN A 108 5.415 -1.245 5.571 1.00 41.34 N ATOM 866 CA ASN A 108 5.062 -2.632 5.284 1.00 25.15 C ATOM 867 C ASN A 108 3.670 -2.729 4.678 1.00 1.32 C ATOM 868 O ASN A 108 2.849 -3.573 5.056 1.00 31.04 O ATOM 869 CB ASN A 108 5.244 -3.495 6.521 1.00 34.32 C ATOM 870 CG ASN A 108 6.686 -3.909 6.769 1.00 75.12 C ATOM 871 OD1 ASN A 108 7.144 -3.975 7.909 1.00 21.30 O ATOM 872 ND2 ASN A 108 7.397 -4.258 5.725 1.00 10.21 N ATOM 0 H ASN A 108 6.273 -0.952 5.105 1.00 41.34 H new ATOM 0 HA ASN A 108 5.744 -3.024 4.529 1.00 25.15 H new ATOM 0 HB2 ASN A 108 4.877 -2.950 7.391 1.00 34.32 H new ATOM 0 HB3 ASN A 108 4.630 -4.390 6.423 1.00 34.32 H new ATOM 0 HD21 ASN A 108 8.352 -4.593 5.848 1.00 10.21 H new ATOM 0 HD22 ASN A 108 6.995 -4.194 4.790 1.00 10.21 H new ATOM 879 N PHE A 109 3.456 -1.916 3.652 1.00 3.34 N ATOM 880 CA PHE A 109 2.162 -1.826 3.005 1.00 12.21 C ATOM 881 C PHE A 109 2.298 -2.097 1.525 1.00 2.00 C ATOM 882 O PHE A 109 3.096 -1.446 0.824 1.00 44.13 O ATOM 883 CB PHE A 109 1.446 -0.463 3.301 1.00 62.44 C ATOM 884 CG PHE A 109 1.363 0.540 2.157 1.00 54.25 C ATOM 885 CD1 PHE A 109 0.308 0.498 1.259 1.00 12.24 C ATOM 886 CD2 PHE A 109 2.325 1.516 1.992 1.00 71.51 C ATOM 887 CE1 PHE A 109 0.214 1.415 0.222 1.00 10.12 C ATOM 888 CE2 PHE A 109 2.236 2.440 0.950 1.00 1.51 C ATOM 889 CZ PHE A 109 1.177 2.388 0.070 1.00 1.01 C ATOM 0 H PHE A 109 4.170 -1.307 3.251 1.00 3.34 H new ATOM 0 HA PHE A 109 1.517 -2.596 3.428 1.00 12.21 H new ATOM 0 HB2 PHE A 109 0.431 -0.679 3.635 1.00 62.44 H new ATOM 0 HB3 PHE A 109 1.961 0.016 4.134 1.00 62.44 H new ATOM 0 HD1 PHE A 109 -0.453 -0.261 1.368 1.00 12.24 H new ATOM 0 HD2 PHE A 109 3.157 1.565 2.678 1.00 71.51 H new ATOM 0 HE1 PHE A 109 -0.616 1.366 -0.467 1.00 10.12 H new ATOM 0 HE2 PHE A 109 2.998 3.197 0.833 1.00 1.51 H new ATOM 0 HZ PHE A 109 1.103 3.106 -0.734 1.00 1.01 H new ATOM 899 N LEU A 110 1.569 -3.070 1.071 1.00 70.11 N ATOM 900 CA LEU A 110 1.584 -3.474 -0.302 1.00 70.35 C ATOM 901 C LEU A 110 0.478 -2.813 -1.024 1.00 41.14 C ATOM 902 O LEU A 110 -0.648 -2.849 -0.564 1.00 52.43 O ATOM 903 CB LEU A 110 1.392 -4.977 -0.424 1.00 50.52 C ATOM 904 CG LEU A 110 2.613 -5.806 -0.764 1.00 3.13 C ATOM 905 CD1 LEU A 110 2.249 -7.272 -0.705 1.00 74.44 C ATOM 906 CD2 LEU A 110 3.126 -5.454 -2.162 1.00 5.24 C ATOM 0 H LEU A 110 0.935 -3.616 1.655 1.00 70.11 H new ATOM 0 HA LEU A 110 2.548 -3.192 -0.727 1.00 70.35 H new ATOM 0 HB2 LEU A 110 0.987 -5.343 0.519 1.00 50.52 H new ATOM 0 HB3 LEU A 110 0.636 -5.160 -1.188 1.00 50.52 H new ATOM 0 HG LEU A 110 3.402 -5.593 -0.043 1.00 3.13 H new ATOM 0 HD11 LEU A 110 3.124 -7.874 -0.949 1.00 74.44 H new ATOM 0 HD12 LEU A 110 1.905 -7.521 0.299 1.00 74.44 H new ATOM 0 HD13 LEU A 110 1.455 -7.479 -1.422 1.00 74.44 H new ATOM 0 HD21 LEU A 110 4.004 -6.059 -2.390 1.00 5.24 H new ATOM 0 HD22 LEU A 110 2.346 -5.654 -2.897 1.00 5.24 H new ATOM 0 HD23 LEU A 110 3.394 -4.398 -2.196 1.00 5.24 H new ATOM 918 N THR A 111 0.789 -2.252 -2.141 1.00 41.03 N ATOM 919 CA THR A 111 -0.181 -1.625 -2.976 1.00 41.32 C ATOM 920 C THR A 111 -0.098 -2.246 -4.356 1.00 53.13 C ATOM 921 O THR A 111 0.948 -2.779 -4.754 1.00 44.40 O ATOM 922 CB THR A 111 0.014 -0.079 -3.007 1.00 74.13 C ATOM 923 OG1 THR A 111 -0.769 0.550 -4.057 1.00 22.20 O ATOM 924 CG2 THR A 111 1.483 0.270 -3.153 1.00 63.42 C ATOM 0 H THR A 111 1.740 -2.214 -2.508 1.00 41.03 H new ATOM 0 HA THR A 111 -1.181 -1.790 -2.575 1.00 41.32 H new ATOM 0 HB THR A 111 -0.348 0.312 -2.056 1.00 74.13 H new ATOM 0 HG1 THR A 111 -1.701 0.631 -3.766 1.00 22.20 H new ATOM 0 HG21 THR A 111 1.599 1.354 -3.173 1.00 63.42 H new ATOM 0 HG22 THR A 111 2.040 -0.139 -2.310 1.00 63.42 H new ATOM 0 HG23 THR A 111 1.867 -0.153 -4.081 1.00 63.42 H new ATOM 932 N LYS A 112 -1.188 -2.209 -5.066 1.00 75.41 N ATOM 933 CA LYS A 112 -1.295 -2.841 -6.356 1.00 45.20 C ATOM 934 C LYS A 112 -1.004 -1.857 -7.481 1.00 62.25 C ATOM 935 O LYS A 112 -1.430 -2.047 -8.621 1.00 61.41 O ATOM 936 CB LYS A 112 -2.677 -3.484 -6.495 1.00 43.22 C ATOM 937 CG LYS A 112 -3.837 -2.548 -6.210 1.00 21.44 C ATOM 938 CD LYS A 112 -5.162 -3.295 -6.212 1.00 70.41 C ATOM 939 CE LYS A 112 -5.514 -3.858 -7.581 1.00 11.22 C ATOM 940 NZ LYS A 112 -5.584 -2.807 -8.626 1.00 1.34 N ATOM 0 H LYS A 112 -2.039 -1.735 -4.765 1.00 75.41 H new ATOM 0 HA LYS A 112 -0.543 -3.626 -6.434 1.00 45.20 H new ATOM 0 HB2 LYS A 112 -2.782 -3.875 -7.507 1.00 43.22 H new ATOM 0 HB3 LYS A 112 -2.738 -4.335 -5.817 1.00 43.22 H new ATOM 0 HG2 LYS A 112 -3.690 -2.067 -5.243 1.00 21.44 H new ATOM 0 HG3 LYS A 112 -3.862 -1.757 -6.960 1.00 21.44 H new ATOM 0 HD2 LYS A 112 -5.117 -4.109 -5.489 1.00 70.41 H new ATOM 0 HD3 LYS A 112 -5.955 -2.622 -5.885 1.00 70.41 H new ATOM 0 HE2 LYS A 112 -4.770 -4.601 -7.867 1.00 11.22 H new ATOM 0 HE3 LYS A 112 -6.473 -4.373 -7.523 1.00 11.22 H new ATOM 0 HZ1 LYS A 112 -6.020 -3.200 -9.485 1.00 1.34 H new ATOM 0 HZ2 LYS A 112 -6.157 -2.011 -8.280 1.00 1.34 H new ATOM 0 HZ3 LYS A 112 -4.624 -2.473 -8.847 1.00 1.34 H new ATOM 954 N ARG A 113 -0.254 -0.838 -7.166 1.00 32.20 N ATOM 955 CA ARG A 113 0.157 0.141 -8.128 1.00 34.25 C ATOM 956 C ARG A 113 1.565 0.564 -7.778 1.00 72.20 C ATOM 957 O ARG A 113 2.002 0.359 -6.656 1.00 44.23 O ATOM 958 CB ARG A 113 -0.784 1.351 -8.098 1.00 23.22 C ATOM 959 CG ARG A 113 -0.673 2.202 -6.842 1.00 22.11 C ATOM 960 CD ARG A 113 -1.776 3.226 -6.775 1.00 12.51 C ATOM 961 NE ARG A 113 -3.068 2.587 -6.578 1.00 74.21 N ATOM 962 CZ ARG A 113 -4.074 2.585 -7.449 1.00 25.31 C ATOM 963 NH1 ARG A 113 -3.941 3.126 -8.660 1.00 2.14 N ATOM 964 NH2 ARG A 113 -5.204 2.042 -7.104 1.00 71.21 N ATOM 0 H ARG A 113 0.092 -0.664 -6.222 1.00 32.20 H new ATOM 0 HA ARG A 113 0.123 -0.279 -9.133 1.00 34.25 H new ATOM 0 HB2 ARG A 113 -0.578 1.977 -8.966 1.00 23.22 H new ATOM 0 HB3 ARG A 113 -1.811 1.000 -8.195 1.00 23.22 H new ATOM 0 HG2 ARG A 113 -0.715 1.561 -5.961 1.00 22.11 H new ATOM 0 HG3 ARG A 113 0.294 2.705 -6.825 1.00 22.11 H new ATOM 0 HD2 ARG A 113 -1.582 3.922 -5.959 1.00 12.51 H new ATOM 0 HD3 ARG A 113 -1.791 3.810 -7.695 1.00 12.51 H new ATOM 0 HE ARG A 113 -3.216 2.098 -5.695 1.00 74.21 H new ATOM 0 HH11 ARG A 113 -3.056 3.552 -8.934 1.00 2.14 H new ATOM 0 HH12 ARG A 113 -4.725 3.114 -9.313 1.00 2.14 H new ATOM 0 HH21 ARG A 113 -5.309 1.627 -6.178 1.00 71.21 H new ATOM 0 HH22 ARG A 113 -5.986 2.032 -7.759 1.00 71.21 H new ATOM 978 N TYR A 114 2.257 1.145 -8.713 1.00 1.02 N ATOM 979 CA TYR A 114 3.619 1.601 -8.474 1.00 32.13 C ATOM 980 C TYR A 114 3.604 3.018 -7.910 1.00 2.34 C ATOM 981 O TYR A 114 4.498 3.423 -7.159 1.00 43.11 O ATOM 982 CB TYR A 114 4.439 1.544 -9.780 1.00 61.34 C ATOM 983 CG TYR A 114 3.882 2.386 -10.926 1.00 72.33 C ATOM 984 CD1 TYR A 114 2.904 1.884 -11.778 1.00 52.14 C ATOM 985 CD2 TYR A 114 4.343 3.677 -11.155 1.00 11.34 C ATOM 986 CE1 TYR A 114 2.403 2.643 -12.819 1.00 44.50 C ATOM 987 CE2 TYR A 114 3.850 4.439 -12.192 1.00 72.33 C ATOM 988 CZ TYR A 114 2.880 3.918 -13.021 1.00 43.51 C ATOM 989 OH TYR A 114 2.398 4.677 -14.070 1.00 51.01 O ATOM 0 H TYR A 114 1.910 1.321 -9.656 1.00 1.02 H new ATOM 0 HA TYR A 114 4.090 0.942 -7.745 1.00 32.13 H new ATOM 0 HB2 TYR A 114 5.456 1.873 -9.568 1.00 61.34 H new ATOM 0 HB3 TYR A 114 4.501 0.506 -10.108 1.00 61.34 H new ATOM 0 HD1 TYR A 114 2.529 0.883 -11.623 1.00 52.14 H new ATOM 0 HD2 TYR A 114 5.102 4.091 -10.508 1.00 11.34 H new ATOM 0 HE1 TYR A 114 1.642 2.238 -13.470 1.00 44.50 H new ATOM 0 HE2 TYR A 114 4.222 5.440 -12.354 1.00 72.33 H new ATOM 0 HH TYR A 114 2.839 5.552 -14.070 1.00 51.01 H new ATOM 999 N ASP A 115 2.544 3.737 -8.243 1.00 54.52 N ATOM 1000 CA ASP A 115 2.379 5.147 -7.898 1.00 60.23 C ATOM 1001 C ASP A 115 2.451 5.384 -6.430 1.00 41.35 C ATOM 1002 O ASP A 115 3.201 6.218 -5.999 1.00 70.53 O ATOM 1003 CB ASP A 115 1.046 5.696 -8.407 1.00 51.13 C ATOM 1004 CG ASP A 115 0.836 5.530 -9.884 1.00 13.14 C ATOM 1005 OD1 ASP A 115 0.437 4.419 -10.302 1.00 23.31 O ATOM 1006 OD2 ASP A 115 1.007 6.506 -10.634 1.00 11.41 O ATOM 0 H ASP A 115 1.759 3.354 -8.770 1.00 54.52 H new ATOM 0 HA ASP A 115 3.205 5.667 -8.383 1.00 60.23 H new ATOM 0 HB2 ASP A 115 0.234 5.197 -7.878 1.00 51.13 H new ATOM 0 HB3 ASP A 115 0.984 6.756 -8.159 1.00 51.13 H new ATOM 1011 N ALA A 116 1.744 4.583 -5.663 1.00 12.52 N ATOM 1012 CA ALA A 116 1.577 4.813 -4.232 1.00 50.10 C ATOM 1013 C ALA A 116 2.900 4.849 -3.487 1.00 41.14 C ATOM 1014 O ALA A 116 2.994 5.447 -2.442 1.00 62.41 O ATOM 1015 CB ALA A 116 0.660 3.767 -3.654 1.00 40.22 C ATOM 0 H ALA A 116 1.265 3.751 -6.008 1.00 12.52 H new ATOM 0 HA ALA A 116 1.129 5.798 -4.105 1.00 50.10 H new ATOM 0 HB1 ALA A 116 0.537 3.941 -2.585 1.00 40.22 H new ATOM 0 HB2 ALA A 116 -0.312 3.824 -4.145 1.00 40.22 H new ATOM 0 HB3 ALA A 116 1.090 2.778 -3.813 1.00 40.22 H new ATOM 1021 N LEU A 117 3.900 4.201 -4.039 1.00 60.11 N ATOM 1022 CA LEU A 117 5.241 4.177 -3.463 1.00 10.43 C ATOM 1023 C LEU A 117 6.024 5.409 -3.880 1.00 72.01 C ATOM 1024 O LEU A 117 6.797 5.962 -3.120 1.00 75.41 O ATOM 1025 CB LEU A 117 6.021 2.944 -3.895 1.00 62.31 C ATOM 1026 CG LEU A 117 5.385 1.588 -3.631 1.00 71.40 C ATOM 1027 CD1 LEU A 117 4.854 1.482 -2.210 1.00 73.12 C ATOM 1028 CD2 LEU A 117 4.318 1.281 -4.656 1.00 73.51 C ATOM 0 H LEU A 117 3.814 3.670 -4.906 1.00 60.11 H new ATOM 0 HA LEU A 117 5.116 4.157 -2.380 1.00 10.43 H new ATOM 0 HB2 LEU A 117 6.213 3.024 -4.965 1.00 62.31 H new ATOM 0 HB3 LEU A 117 6.989 2.965 -3.395 1.00 62.31 H new ATOM 0 HG LEU A 117 6.164 0.832 -3.732 1.00 71.40 H new ATOM 0 HD11 LEU A 117 4.407 0.499 -2.061 1.00 73.12 H new ATOM 0 HD12 LEU A 117 5.673 1.619 -1.504 1.00 73.12 H new ATOM 0 HD13 LEU A 117 4.100 2.252 -2.045 1.00 73.12 H new ATOM 0 HD21 LEU A 117 3.880 0.306 -4.444 1.00 73.51 H new ATOM 0 HD22 LEU A 117 3.542 2.045 -4.613 1.00 73.51 H new ATOM 0 HD23 LEU A 117 4.762 1.270 -5.651 1.00 73.51 H new ATOM 1040 N SER A 118 5.806 5.822 -5.094 1.00 41.05 N ATOM 1041 CA SER A 118 6.502 6.948 -5.677 1.00 55.31 C ATOM 1042 C SER A 118 6.011 8.244 -5.090 1.00 24.01 C ATOM 1043 O SER A 118 6.791 9.130 -4.762 1.00 72.23 O ATOM 1044 CB SER A 118 6.247 6.931 -7.165 1.00 41.35 C ATOM 1045 OG SER A 118 6.971 5.895 -7.816 1.00 33.44 O ATOM 0 H SER A 118 5.131 5.385 -5.722 1.00 41.05 H new ATOM 0 HA SER A 118 7.569 6.870 -5.467 1.00 55.31 H new ATOM 0 HB2 SER A 118 5.181 6.799 -7.349 1.00 41.35 H new ATOM 0 HB3 SER A 118 6.528 7.894 -7.592 1.00 41.35 H new ATOM 0 HG SER A 118 6.779 5.915 -8.777 1.00 33.44 H new ATOM 1051 N GLU A 119 4.727 8.351 -4.984 1.00 44.35 N ATOM 1052 CA GLU A 119 4.107 9.512 -4.418 1.00 3.10 C ATOM 1053 C GLU A 119 4.203 9.449 -2.911 1.00 51.10 C ATOM 1054 O GLU A 119 4.008 10.431 -2.250 1.00 42.41 O ATOM 1055 CB GLU A 119 2.652 9.632 -4.810 1.00 64.11 C ATOM 1056 CG GLU A 119 2.303 8.948 -6.101 1.00 40.50 C ATOM 1057 CD GLU A 119 0.880 9.181 -6.534 1.00 52.22 C ATOM 1058 OE1 GLU A 119 -0.020 9.155 -5.681 1.00 24.14 O ATOM 1059 OE2 GLU A 119 0.626 9.405 -7.744 1.00 2.21 O ATOM 0 H GLU A 119 4.071 7.632 -5.289 1.00 44.35 H new ATOM 0 HA GLU A 119 4.633 10.384 -4.805 1.00 3.10 H new ATOM 0 HB2 GLU A 119 2.037 9.214 -4.013 1.00 64.11 H new ATOM 0 HB3 GLU A 119 2.395 10.688 -4.891 1.00 64.11 H new ATOM 0 HG2 GLU A 119 2.976 9.300 -6.883 1.00 40.50 H new ATOM 0 HG3 GLU A 119 2.472 7.877 -5.993 1.00 40.50 H new ATOM 1066 N HIS A 120 4.424 8.257 -2.387 1.00 55.15 N ATOM 1067 CA HIS A 120 4.482 8.010 -0.933 1.00 33.45 C ATOM 1068 C HIS A 120 5.341 9.068 -0.218 1.00 44.40 C ATOM 1069 O HIS A 120 4.860 9.797 0.540 1.00 50.22 O ATOM 1070 CB HIS A 120 5.031 6.627 -0.660 1.00 64.25 C ATOM 1071 CG HIS A 120 4.717 6.069 0.672 1.00 23.10 C ATOM 1072 ND1 HIS A 120 3.472 5.623 1.045 1.00 11.52 N ATOM 1073 CD2 HIS A 120 5.506 5.870 1.711 1.00 4.32 C ATOM 1074 CE1 HIS A 120 3.553 5.178 2.295 1.00 35.14 C ATOM 1075 NE2 HIS A 120 4.779 5.303 2.754 1.00 62.41 N ATOM 0 H HIS A 120 4.571 7.419 -2.950 1.00 55.15 H new ATOM 0 HA HIS A 120 3.467 8.078 -0.542 1.00 33.45 H new ATOM 0 HB2 HIS A 120 4.647 5.946 -1.420 1.00 64.25 H new ATOM 0 HB3 HIS A 120 6.114 6.656 -0.776 1.00 64.25 H new ATOM 0 HD2 HIS A 120 6.558 6.111 1.747 1.00 4.32 H new ATOM 0 HE1 HIS A 120 2.726 4.770 2.856 1.00 35.14 H new ATOM 0 HE2 HIS A 120 5.124 5.040 3.677 1.00 62.41 H new ATOM 1083 N ASN A 121 6.575 9.166 -0.539 1.00 53.01 N ATOM 1084 CA ASN A 121 7.496 10.183 0.055 1.00 54.42 C ATOM 1085 C ASN A 121 7.136 11.617 -0.353 1.00 21.02 C ATOM 1086 O ASN A 121 7.612 12.588 0.215 1.00 11.12 O ATOM 1087 CB ASN A 121 8.947 9.854 -0.248 1.00 10.00 C ATOM 1088 CG ASN A 121 9.239 9.687 -1.716 1.00 43.51 C ATOM 1089 OD1 ASN A 121 8.383 9.361 -2.516 1.00 40.23 O ATOM 1090 ND2 ASN A 121 10.449 9.815 -2.059 1.00 1.24 N ATOM 0 H ASN A 121 7.023 8.558 -1.224 1.00 53.01 H new ATOM 0 HA ASN A 121 7.365 10.135 1.136 1.00 54.42 H new ATOM 0 HB2 ASN A 121 9.580 10.646 0.151 1.00 10.00 H new ATOM 0 HB3 ASN A 121 9.218 8.936 0.274 1.00 10.00 H new ATOM 0 HD21 ASN A 121 10.726 9.644 -3.026 1.00 1.24 H new ATOM 0 HD22 ASN A 121 11.148 10.090 -1.369 1.00 1.24 H new ATOM 1097 N LEU A 122 6.363 11.732 -1.368 1.00 10.24 N ATOM 1098 CA LEU A 122 5.892 13.003 -1.830 1.00 0.21 C ATOM 1099 C LEU A 122 4.760 13.515 -0.908 1.00 33.04 C ATOM 1100 O LEU A 122 4.818 14.628 -0.389 1.00 33.35 O ATOM 1101 CB LEU A 122 5.443 12.855 -3.313 1.00 63.32 C ATOM 1102 CG LEU A 122 4.425 13.852 -3.878 1.00 31.43 C ATOM 1103 CD1 LEU A 122 4.931 15.290 -3.788 1.00 24.51 C ATOM 1104 CD2 LEU A 122 4.104 13.502 -5.322 1.00 52.52 C ATOM 0 H LEU A 122 6.029 10.939 -1.916 1.00 10.24 H new ATOM 0 HA LEU A 122 6.685 13.750 -1.791 1.00 0.21 H new ATOM 0 HB2 LEU A 122 6.336 12.907 -3.935 1.00 63.32 H new ATOM 0 HB3 LEU A 122 5.028 11.855 -3.434 1.00 63.32 H new ATOM 0 HG LEU A 122 3.520 13.782 -3.275 1.00 31.43 H new ATOM 0 HD11 LEU A 122 4.181 15.966 -4.199 1.00 24.51 H new ATOM 0 HD12 LEU A 122 5.118 15.545 -2.745 1.00 24.51 H new ATOM 0 HD13 LEU A 122 5.856 15.386 -4.356 1.00 24.51 H new ATOM 0 HD21 LEU A 122 3.380 14.215 -5.717 1.00 52.52 H new ATOM 0 HD22 LEU A 122 5.016 13.543 -5.918 1.00 52.52 H new ATOM 0 HD23 LEU A 122 3.686 12.497 -5.368 1.00 52.52 H new ATOM 1116 N LYS A 123 3.762 12.690 -0.693 1.00 62.13 N ATOM 1117 CA LYS A 123 2.583 13.079 0.083 1.00 41.51 C ATOM 1118 C LYS A 123 2.510 12.439 1.471 1.00 14.14 C ATOM 1119 O LYS A 123 2.131 13.074 2.445 1.00 64.00 O ATOM 1120 CB LYS A 123 1.289 12.876 -0.742 1.00 1.11 C ATOM 1121 CG LYS A 123 1.428 11.898 -1.902 1.00 4.53 C ATOM 1122 CD LYS A 123 0.273 11.964 -2.892 1.00 41.53 C ATOM 1123 CE LYS A 123 -1.072 11.611 -2.278 1.00 23.24 C ATOM 1124 NZ LYS A 123 -2.148 11.598 -3.292 1.00 4.02 N ATOM 0 H LYS A 123 3.734 11.733 -1.044 1.00 62.13 H new ATOM 0 HA LYS A 123 2.685 14.145 0.287 1.00 41.51 H new ATOM 0 HB2 LYS A 123 0.501 12.522 -0.077 1.00 1.11 H new ATOM 0 HB3 LYS A 123 0.967 13.841 -1.133 1.00 1.11 H new ATOM 0 HG2 LYS A 123 2.360 12.101 -2.429 1.00 4.53 H new ATOM 0 HG3 LYS A 123 1.500 10.885 -1.506 1.00 4.53 H new ATOM 0 HD2 LYS A 123 0.220 12.969 -3.310 1.00 41.53 H new ATOM 0 HD3 LYS A 123 0.475 11.285 -3.720 1.00 41.53 H new ATOM 0 HE2 LYS A 123 -1.009 10.633 -1.801 1.00 23.24 H new ATOM 0 HE3 LYS A 123 -1.316 12.331 -1.497 1.00 23.24 H new ATOM 0 HZ1 LYS A 123 -3.051 11.353 -2.837 1.00 4.02 H new ATOM 0 HZ2 LYS A 123 -2.224 12.538 -3.729 1.00 4.02 H new ATOM 0 HZ3 LYS A 123 -1.927 10.893 -4.024 1.00 4.02 H new ATOM 1138 N TYR A 124 2.891 11.207 1.527 1.00 70.43 N ATOM 1139 CA TYR A 124 2.829 10.373 2.742 1.00 11.24 C ATOM 1140 C TYR A 124 4.051 10.592 3.638 1.00 20.52 C ATOM 1141 O TYR A 124 3.908 10.843 4.828 1.00 43.23 O ATOM 1142 CB TYR A 124 2.761 8.886 2.376 1.00 54.54 C ATOM 1143 CG TYR A 124 1.549 8.457 1.593 1.00 34.23 C ATOM 1144 CD1 TYR A 124 1.217 9.036 0.374 1.00 3.34 C ATOM 1145 CD2 TYR A 124 0.731 7.468 2.074 1.00 70.24 C ATOM 1146 CE1 TYR A 124 0.124 8.645 -0.318 1.00 4.03 C ATOM 1147 CE2 TYR A 124 -0.368 7.079 1.378 1.00 25.13 C ATOM 1148 CZ TYR A 124 -0.665 7.669 0.186 1.00 11.42 C ATOM 1149 OH TYR A 124 -1.773 7.294 -0.483 1.00 70.32 O ATOM 0 H TYR A 124 3.270 10.712 0.720 1.00 70.43 H new ATOM 0 HA TYR A 124 1.929 10.669 3.282 1.00 11.24 H new ATOM 0 HB2 TYR A 124 3.651 8.632 1.800 1.00 54.54 H new ATOM 0 HB3 TYR A 124 2.800 8.303 3.296 1.00 54.54 H new ATOM 0 HD1 TYR A 124 1.846 9.816 -0.029 1.00 3.34 H new ATOM 0 HD2 TYR A 124 0.963 6.993 3.016 1.00 70.24 H new ATOM 0 HE1 TYR A 124 -0.117 9.107 -1.264 1.00 4.03 H new ATOM 0 HE2 TYR A 124 -1.007 6.301 1.769 1.00 25.13 H new ATOM 0 HH TYR A 124 -2.529 7.242 0.139 1.00 70.32 H new ATOM 1159 N HIS A 125 5.257 10.440 3.083 1.00 30.32 N ATOM 1160 CA HIS A 125 6.490 10.697 3.857 1.00 11.34 C ATOM 1161 C HIS A 125 7.267 11.887 3.287 1.00 73.53 C ATOM 1162 O HIS A 125 8.311 11.697 2.682 1.00 61.22 O ATOM 1163 CB HIS A 125 7.424 9.481 3.876 1.00 41.53 C ATOM 1164 CG HIS A 125 6.902 8.243 4.510 1.00 22.01 C ATOM 1165 ND1 HIS A 125 6.086 8.179 5.626 1.00 42.30 N ATOM 1166 CD2 HIS A 125 7.090 6.993 4.120 1.00 32.13 C ATOM 1167 CE1 HIS A 125 5.816 6.889 5.853 1.00 13.24 C ATOM 1168 NE2 HIS A 125 6.412 6.108 4.940 1.00 4.41 N ATOM 0 H HIS A 125 5.413 10.146 2.119 1.00 30.32 H new ATOM 0 HA HIS A 125 6.165 10.915 4.874 1.00 11.34 H new ATOM 0 HB2 HIS A 125 7.697 9.246 2.847 1.00 41.53 H new ATOM 0 HB3 HIS A 125 8.341 9.766 4.392 1.00 41.53 H new ATOM 0 HD2 HIS A 125 7.693 6.701 3.273 1.00 32.13 H new ATOM 0 HE1 HIS A 125 5.201 6.525 6.663 1.00 13.24 H new ATOM 0 HE2 HIS A 125 6.374 5.091 4.867 1.00 4.41 H new ATOM 1176 N PRO A 126 6.767 13.110 3.448 1.00 34.14 N ATOM 1177 CA PRO A 126 7.394 14.302 2.881 1.00 44.42 C ATOM 1178 C PRO A 126 8.684 14.713 3.583 1.00 61.43 C ATOM 1179 O PRO A 126 8.834 14.562 4.806 1.00 32.45 O ATOM 1180 CB PRO A 126 6.322 15.370 3.050 1.00 4.12 C ATOM 1181 CG PRO A 126 5.575 14.930 4.254 1.00 23.13 C ATOM 1182 CD PRO A 126 5.557 13.441 4.187 1.00 54.52 C ATOM 0 HA PRO A 126 7.703 14.135 1.849 1.00 44.42 H new ATOM 0 HB2 PRO A 126 6.760 16.358 3.189 1.00 4.12 H new ATOM 0 HB3 PRO A 126 5.674 15.429 2.176 1.00 4.12 H new ATOM 0 HG2 PRO A 126 6.061 15.276 5.166 1.00 23.13 H new ATOM 0 HG3 PRO A 126 4.563 15.335 4.258 1.00 23.13 H new ATOM 0 HD2 PRO A 126 5.562 12.996 5.182 1.00 54.52 H new ATOM 0 HD3 PRO A 126 4.665 13.075 3.679 1.00 54.52 H new ATOM 1190 N GLY A 127 9.599 15.232 2.799 1.00 54.12 N ATOM 1191 CA GLY A 127 10.866 15.683 3.304 1.00 3.43 C ATOM 1192 C GLY A 127 11.891 15.708 2.208 1.00 1.24 C ATOM 1193 O GLY A 127 12.689 16.639 2.103 1.00 24.21 O ATOM 0 H GLY A 127 9.482 15.352 1.793 1.00 54.12 H new ATOM 0 HA2 GLY A 127 10.759 16.679 3.733 1.00 3.43 H new ATOM 0 HA3 GLY A 127 11.199 15.025 4.106 1.00 3.43 H new ATOM 1197 N GLU A 128 11.843 14.698 1.372 1.00 22.43 N ATOM 1198 CA GLU A 128 12.740 14.549 0.249 1.00 44.42 C ATOM 1199 C GLU A 128 12.184 13.476 -0.642 1.00 54.35 C ATOM 1200 O GLU A 128 11.192 12.837 -0.288 1.00 63.24 O ATOM 1201 CB GLU A 128 14.149 14.156 0.712 1.00 2.11 C ATOM 1202 CG GLU A 128 14.203 12.858 1.500 1.00 44.51 C ATOM 1203 CD GLU A 128 15.591 12.492 1.895 1.00 72.44 C ATOM 1204 OE1 GLU A 128 16.143 13.132 2.784 1.00 10.31 O ATOM 1205 OE2 GLU A 128 16.161 11.561 1.299 1.00 63.22 O ATOM 0 H GLU A 128 11.165 13.940 1.455 1.00 22.43 H new ATOM 0 HA GLU A 128 12.820 15.498 -0.282 1.00 44.42 H new ATOM 0 HB2 GLU A 128 14.795 14.066 -0.161 1.00 2.11 H new ATOM 0 HB3 GLU A 128 14.555 14.959 1.327 1.00 2.11 H new ATOM 0 HG2 GLU A 128 13.587 12.953 2.394 1.00 44.51 H new ATOM 0 HG3 GLU A 128 13.775 12.054 0.901 1.00 44.51 H new ATOM 1212 N GLU A 129 12.793 13.255 -1.764 1.00 1.02 N ATOM 1213 CA GLU A 129 12.330 12.232 -2.633 1.00 73.21 C ATOM 1214 C GLU A 129 13.478 11.315 -2.998 1.00 41.24 C ATOM 1215 O GLU A 129 14.228 11.576 -3.942 1.00 13.52 O ATOM 1216 CB GLU A 129 11.736 12.857 -3.865 1.00 62.23 C ATOM 1217 CG GLU A 129 11.077 11.871 -4.786 1.00 10.42 C ATOM 1218 CD GLU A 129 10.368 12.530 -5.917 1.00 4.33 C ATOM 1219 OE1 GLU A 129 9.248 13.034 -5.716 1.00 24.13 O ATOM 1220 OE2 GLU A 129 10.912 12.550 -7.045 1.00 51.55 O ATOM 0 H GLU A 129 13.609 13.770 -2.095 1.00 1.02 H new ATOM 0 HA GLU A 129 11.562 11.641 -2.134 1.00 73.21 H new ATOM 0 HB2 GLU A 129 11.003 13.605 -3.564 1.00 62.23 H new ATOM 0 HB3 GLU A 129 12.521 13.381 -4.410 1.00 62.23 H new ATOM 0 HG2 GLU A 129 11.830 11.190 -5.182 1.00 10.42 H new ATOM 0 HG3 GLU A 129 10.368 11.268 -4.219 1.00 10.42 H new ATOM 1227 N ASN A 130 13.635 10.248 -2.222 1.00 2.02 N ATOM 1228 CA ASN A 130 14.730 9.292 -2.400 1.00 21.21 C ATOM 1229 C ASN A 130 14.303 7.942 -1.879 1.00 24.14 C ATOM 1230 O ASN A 130 14.390 7.678 -0.686 1.00 10.52 O ATOM 1231 CB ASN A 130 16.010 9.747 -1.626 1.00 71.42 C ATOM 1232 CG ASN A 130 16.533 11.090 -2.083 1.00 42.24 C ATOM 1233 OD1 ASN A 130 17.389 11.187 -2.954 1.00 35.24 O ATOM 1234 ND2 ASN A 130 16.017 12.130 -1.493 1.00 20.23 N ATOM 0 H ASN A 130 13.008 10.018 -1.451 1.00 2.02 H new ATOM 0 HA ASN A 130 14.964 9.238 -3.463 1.00 21.21 H new ATOM 0 HB2 ASN A 130 15.785 9.795 -0.560 1.00 71.42 H new ATOM 0 HB3 ASN A 130 16.791 8.997 -1.754 1.00 71.42 H new ATOM 0 HD21 ASN A 130 16.324 13.068 -1.752 1.00 20.23 H new ATOM 0 HD22 ASN A 130 15.306 12.007 -0.772 1.00 20.23 H new ATOM 1241 N PHE A 131 13.802 7.124 -2.745 1.00 63.13 N ATOM 1242 CA PHE A 131 13.402 5.774 -2.401 1.00 44.04 C ATOM 1243 C PHE A 131 14.343 4.793 -3.058 1.00 14.25 C ATOM 1244 O PHE A 131 14.926 5.094 -4.098 1.00 14.44 O ATOM 1245 CB PHE A 131 11.982 5.487 -2.877 1.00 44.23 C ATOM 1246 CG PHE A 131 10.909 5.459 -1.812 1.00 25.11 C ATOM 1247 CD1 PHE A 131 10.767 4.364 -0.979 1.00 24.31 C ATOM 1248 CD2 PHE A 131 10.005 6.489 -1.688 1.00 54.13 C ATOM 1249 CE1 PHE A 131 9.754 4.305 -0.065 1.00 53.01 C ATOM 1250 CE2 PHE A 131 8.968 6.423 -0.765 1.00 63.44 C ATOM 1251 CZ PHE A 131 8.847 5.325 0.035 1.00 11.24 C ATOM 0 H PHE A 131 13.652 7.364 -3.725 1.00 63.13 H new ATOM 0 HA PHE A 131 13.437 5.671 -1.316 1.00 44.04 H new ATOM 0 HB2 PHE A 131 11.710 6.241 -3.616 1.00 44.23 H new ATOM 0 HB3 PHE A 131 11.981 4.524 -3.388 1.00 44.23 H new ATOM 0 HD1 PHE A 131 11.467 3.545 -1.052 1.00 24.31 H new ATOM 0 HD2 PHE A 131 10.103 7.361 -2.317 1.00 54.13 H new ATOM 0 HE1 PHE A 131 9.668 3.446 0.584 1.00 53.01 H new ATOM 0 HE2 PHE A 131 8.262 7.236 -0.682 1.00 63.44 H new ATOM 0 HZ PHE A 131 8.037 5.261 0.746 1.00 11.24 H new ATOM 1261 N LYS A 132 14.503 3.661 -2.467 1.00 2.00 N ATOM 1262 CA LYS A 132 15.345 2.626 -2.999 1.00 52.51 C ATOM 1263 C LYS A 132 14.456 1.407 -3.255 1.00 51.22 C ATOM 1264 O LYS A 132 13.371 1.337 -2.713 1.00 63.14 O ATOM 1265 CB LYS A 132 16.418 2.263 -1.968 1.00 63.24 C ATOM 1266 CG LYS A 132 16.042 1.089 -1.088 1.00 4.15 C ATOM 1267 CD LYS A 132 17.163 0.666 -0.208 1.00 23.13 C ATOM 1268 CE LYS A 132 16.922 -0.747 0.275 1.00 15.13 C ATOM 1269 NZ LYS A 132 18.042 -1.267 1.068 1.00 0.41 N ATOM 0 H LYS A 132 14.050 3.416 -1.587 1.00 2.00 H new ATOM 0 HA LYS A 132 15.834 2.954 -3.917 1.00 52.51 H new ATOM 0 HB2 LYS A 132 17.347 2.033 -2.489 1.00 63.24 H new ATOM 0 HB3 LYS A 132 16.613 3.131 -1.338 1.00 63.24 H new ATOM 0 HG2 LYS A 132 15.182 1.358 -0.474 1.00 4.15 H new ATOM 0 HG3 LYS A 132 15.737 0.250 -1.714 1.00 4.15 H new ATOM 0 HD2 LYS A 132 18.106 0.719 -0.752 1.00 23.13 H new ATOM 0 HD3 LYS A 132 17.247 1.343 0.642 1.00 23.13 H new ATOM 0 HE2 LYS A 132 16.013 -0.772 0.876 1.00 15.13 H new ATOM 0 HE3 LYS A 132 16.755 -1.398 -0.583 1.00 15.13 H new ATOM 0 HZ1 LYS A 132 17.829 -2.237 1.375 1.00 0.41 H new ATOM 0 HZ2 LYS A 132 18.906 -1.269 0.489 1.00 0.41 H new ATOM 0 HZ3 LYS A 132 18.186 -0.663 1.903 1.00 0.41 H new ATOM 1283 N LEU A 133 14.915 0.449 -4.007 1.00 42.11 N ATOM 1284 CA LEU A 133 14.116 -0.720 -4.268 1.00 12.11 C ATOM 1285 C LEU A 133 14.883 -1.969 -3.892 1.00 73.13 C ATOM 1286 O LEU A 133 16.071 -2.072 -4.152 1.00 51.34 O ATOM 1287 CB LEU A 133 13.611 -0.791 -5.733 1.00 24.51 C ATOM 1288 CG LEU A 133 14.663 -0.783 -6.856 1.00 63.52 C ATOM 1289 CD1 LEU A 133 14.041 -1.316 -8.138 1.00 35.51 C ATOM 1290 CD2 LEU A 133 15.184 0.631 -7.118 1.00 30.20 C ATOM 0 H LEU A 133 15.834 0.451 -4.450 1.00 42.11 H new ATOM 0 HA LEU A 133 13.225 -0.648 -3.645 1.00 12.11 H new ATOM 0 HB2 LEU A 133 13.016 -1.698 -5.838 1.00 24.51 H new ATOM 0 HB3 LEU A 133 12.940 0.052 -5.897 1.00 24.51 H new ATOM 0 HG LEU A 133 15.495 -1.413 -6.541 1.00 63.52 H new ATOM 0 HD11 LEU A 133 14.786 -1.310 -8.934 1.00 35.51 H new ATOM 0 HD12 LEU A 133 13.691 -2.335 -7.976 1.00 35.51 H new ATOM 0 HD13 LEU A 133 13.200 -0.685 -8.424 1.00 35.51 H new ATOM 0 HD21 LEU A 133 15.926 0.603 -7.916 1.00 30.20 H new ATOM 0 HD22 LEU A 133 14.356 1.275 -7.414 1.00 30.20 H new ATOM 0 HD23 LEU A 133 15.643 1.024 -6.210 1.00 30.20 H new ATOM 1302 N THR A 134 14.217 -2.869 -3.226 1.00 73.02 N ATOM 1303 CA THR A 134 14.783 -4.117 -2.808 1.00 13.42 C ATOM 1304 C THR A 134 13.692 -5.189 -2.898 1.00 33.43 C ATOM 1305 O THR A 134 12.660 -5.073 -2.268 1.00 5.43 O ATOM 1306 CB THR A 134 15.358 -3.995 -1.346 1.00 20.00 C ATOM 1307 OG1 THR A 134 15.909 -5.245 -0.868 1.00 43.24 O ATOM 1308 CG2 THR A 134 14.329 -3.458 -0.353 1.00 14.54 C ATOM 0 H THR A 134 13.241 -2.751 -2.953 1.00 73.02 H new ATOM 0 HA THR A 134 15.615 -4.396 -3.455 1.00 13.42 H new ATOM 0 HB THR A 134 16.168 -3.269 -1.411 1.00 20.00 H new ATOM 0 HG1 THR A 134 16.255 -5.124 0.041 1.00 43.24 H new ATOM 0 HG21 THR A 134 14.778 -3.394 0.638 1.00 14.54 H new ATOM 0 HG22 THR A 134 14.003 -2.467 -0.668 1.00 14.54 H new ATOM 0 HG23 THR A 134 13.471 -4.129 -0.320 1.00 14.54 H new ATOM 1316 N MET A 135 13.861 -6.208 -3.697 1.00 54.22 N ATOM 1317 CA MET A 135 12.776 -7.157 -3.786 1.00 54.43 C ATOM 1318 C MET A 135 13.060 -8.292 -2.857 1.00 14.54 C ATOM 1319 O MET A 135 13.909 -9.130 -3.134 1.00 50.32 O ATOM 1320 CB MET A 135 12.728 -7.680 -5.216 1.00 52.54 C ATOM 1321 CG MET A 135 11.593 -8.634 -5.552 1.00 10.21 C ATOM 1322 SD MET A 135 11.795 -9.316 -7.216 1.00 5.23 S ATOM 1323 CE MET A 135 10.279 -10.240 -7.415 1.00 24.44 C ATOM 0 H MET A 135 14.685 -6.401 -4.266 1.00 54.22 H new ATOM 0 HA MET A 135 11.827 -6.692 -3.520 1.00 54.43 H new ATOM 0 HB2 MET A 135 12.666 -6.825 -5.890 1.00 52.54 H new ATOM 0 HB3 MET A 135 13.671 -8.184 -5.427 1.00 52.54 H new ATOM 0 HG2 MET A 135 11.566 -9.444 -4.823 1.00 10.21 H new ATOM 0 HG3 MET A 135 10.640 -8.110 -5.482 1.00 10.21 H new ATOM 0 HE1 MET A 135 10.122 -10.458 -8.471 1.00 24.44 H new ATOM 0 HE2 MET A 135 10.347 -11.174 -6.858 1.00 24.44 H new ATOM 0 HE3 MET A 135 9.442 -9.652 -7.037 1.00 24.44 H new ATOM 1333 N VAL A 136 12.357 -8.307 -1.756 1.00 13.44 N ATOM 1334 CA VAL A 136 12.406 -9.365 -0.784 1.00 71.14 C ATOM 1335 C VAL A 136 11.064 -9.471 -0.083 1.00 13.13 C ATOM 1336 O VAL A 136 10.737 -8.608 0.643 1.00 33.34 O ATOM 1337 CB VAL A 136 13.570 -9.160 0.270 1.00 61.32 C ATOM 1338 CG1 VAL A 136 14.880 -9.739 -0.249 1.00 72.00 C ATOM 1339 CG2 VAL A 136 13.778 -7.669 0.574 1.00 64.32 C ATOM 0 H VAL A 136 11.713 -7.557 -1.503 1.00 13.44 H new ATOM 0 HA VAL A 136 12.620 -10.295 -1.311 1.00 71.14 H new ATOM 0 HB VAL A 136 13.276 -9.680 1.182 1.00 61.32 H new ATOM 0 HG11 VAL A 136 15.664 -9.586 0.492 1.00 72.00 H new ATOM 0 HG12 VAL A 136 14.758 -10.806 -0.434 1.00 72.00 H new ATOM 0 HG13 VAL A 136 15.156 -9.239 -1.178 1.00 72.00 H new ATOM 0 HG21 VAL A 136 14.583 -7.555 1.300 1.00 64.32 H new ATOM 0 HG22 VAL A 136 14.041 -7.144 -0.344 1.00 64.32 H new ATOM 0 HG23 VAL A 136 12.859 -7.249 0.982 1.00 64.32 H new ATOM 1349 N LYS A 137 10.289 -10.470 -0.279 1.00 21.50 N ATOM 1350 CA LYS A 137 9.085 -10.566 0.544 1.00 53.12 C ATOM 1351 C LYS A 137 8.947 -11.992 0.957 1.00 34.14 C ATOM 1352 O LYS A 137 8.771 -12.870 0.119 1.00 25.30 O ATOM 1353 CB LYS A 137 7.865 -10.038 -0.177 1.00 75.22 C ATOM 1354 CG LYS A 137 6.691 -9.626 0.710 1.00 12.11 C ATOM 1355 CD LYS A 137 7.024 -8.340 1.505 1.00 35.33 C ATOM 1356 CE LYS A 137 5.780 -7.710 2.150 1.00 24.40 C ATOM 1357 NZ LYS A 137 5.397 -8.388 3.411 1.00 21.22 N ATOM 0 H LYS A 137 10.431 -11.215 -0.961 1.00 21.50 H new ATOM 0 HA LYS A 137 9.173 -9.937 1.430 1.00 53.12 H new ATOM 0 HB2 LYS A 137 8.164 -9.176 -0.774 1.00 75.22 H new ATOM 0 HB3 LYS A 137 7.519 -10.803 -0.873 1.00 75.22 H new ATOM 0 HG2 LYS A 137 5.806 -9.459 0.095 1.00 12.11 H new ATOM 0 HG3 LYS A 137 6.451 -10.434 1.401 1.00 12.11 H new ATOM 0 HD2 LYS A 137 7.753 -8.575 2.281 1.00 35.33 H new ATOM 0 HD3 LYS A 137 7.491 -7.615 0.838 1.00 35.33 H new ATOM 0 HE2 LYS A 137 5.972 -6.656 2.350 1.00 24.40 H new ATOM 0 HE3 LYS A 137 4.947 -7.755 1.448 1.00 24.40 H new ATOM 0 HZ1 LYS A 137 4.553 -7.929 3.810 1.00 21.22 H new ATOM 0 HZ2 LYS A 137 5.188 -9.388 3.218 1.00 21.22 H new ATOM 0 HZ3 LYS A 137 6.181 -8.323 4.092 1.00 21.22 H new ATOM 1371 N ARG A 138 9.057 -12.229 2.216 1.00 23.04 N ATOM 1372 CA ARG A 138 9.201 -13.564 2.692 1.00 14.04 C ATOM 1373 C ARG A 138 7.926 -14.091 3.317 1.00 2.35 C ATOM 1374 O ARG A 138 7.217 -13.359 4.014 1.00 41.22 O ATOM 1375 CB ARG A 138 10.416 -13.676 3.631 1.00 52.14 C ATOM 1376 CG ARG A 138 11.765 -13.299 2.966 1.00 2.21 C ATOM 1377 CD ARG A 138 11.965 -11.774 2.778 1.00 13.03 C ATOM 1378 NE ARG A 138 12.004 -11.038 4.051 1.00 51.34 N ATOM 1379 CZ ARG A 138 11.918 -9.696 4.205 1.00 54.31 C ATOM 1380 NH1 ARG A 138 11.610 -8.897 3.184 1.00 14.34 N ATOM 1381 NH2 ARG A 138 12.091 -9.172 5.404 1.00 2.12 N ATOM 0 H ARG A 138 9.050 -11.512 2.942 1.00 23.04 H new ATOM 0 HA ARG A 138 9.393 -14.208 1.834 1.00 14.04 H new ATOM 0 HB2 ARG A 138 10.256 -13.030 4.494 1.00 52.14 H new ATOM 0 HB3 ARG A 138 10.480 -14.698 4.005 1.00 52.14 H new ATOM 0 HG2 ARG A 138 12.581 -13.691 3.573 1.00 2.21 H new ATOM 0 HG3 ARG A 138 11.829 -13.787 1.993 1.00 2.21 H new ATOM 0 HD2 ARG A 138 12.894 -11.599 2.235 1.00 13.03 H new ATOM 0 HD3 ARG A 138 11.157 -11.380 2.162 1.00 13.03 H new ATOM 0 HE ARG A 138 12.106 -11.593 4.901 1.00 51.34 H new ATOM 0 HH11 ARG A 138 11.433 -9.294 2.261 1.00 14.34 H new ATOM 0 HH12 ARG A 138 11.551 -7.889 3.325 1.00 14.34 H new ATOM 0 HH21 ARG A 138 12.287 -9.777 6.202 1.00 2.12 H new ATOM 0 HH22 ARG A 138 12.029 -8.162 5.533 1.00 2.12 H new ATOM 1395 N ASN A 139 7.622 -15.352 3.002 1.00 1.13 N ATOM 1396 CA ASN A 139 6.400 -16.063 3.455 1.00 43.43 C ATOM 1397 C ASN A 139 5.158 -15.505 2.807 1.00 11.15 C ATOM 1398 O ASN A 139 4.038 -15.728 3.264 1.00 1.43 O ATOM 1399 CB ASN A 139 6.254 -16.142 4.989 1.00 51.13 C ATOM 1400 CG ASN A 139 7.276 -17.058 5.617 1.00 24.21 C ATOM 1401 OD1 ASN A 139 8.348 -16.623 6.048 1.00 71.50 O ATOM 1402 ND2 ASN A 139 6.971 -18.332 5.664 1.00 62.05 N ATOM 0 H ASN A 139 8.223 -15.929 2.414 1.00 1.13 H new ATOM 0 HA ASN A 139 6.523 -17.093 3.120 1.00 43.43 H new ATOM 0 HB2 ASN A 139 6.356 -15.143 5.413 1.00 51.13 H new ATOM 0 HB3 ASN A 139 5.253 -16.493 5.239 1.00 51.13 H new ATOM 0 HD21 ASN A 139 7.629 -18.999 6.066 1.00 62.05 H new ATOM 0 HD22 ASN A 139 6.076 -18.656 5.298 1.00 62.05 H new ATOM 1409 N ASN A 140 5.375 -14.812 1.722 1.00 43.23 N ATOM 1410 CA ASN A 140 4.339 -14.253 0.886 1.00 2.34 C ATOM 1411 C ASN A 140 4.852 -14.371 -0.525 1.00 63.23 C ATOM 1412 O ASN A 140 5.623 -15.283 -0.820 1.00 61.22 O ATOM 1413 CB ASN A 140 4.057 -12.757 1.209 1.00 73.40 C ATOM 1414 CG ASN A 140 3.500 -12.491 2.590 1.00 41.20 C ATOM 1415 OD1 ASN A 140 2.310 -12.685 2.837 1.00 75.13 O ATOM 1416 ND2 ASN A 140 4.311 -11.928 3.445 1.00 45.14 N ATOM 0 H ASN A 140 6.315 -14.612 1.380 1.00 43.23 H new ATOM 0 HA ASN A 140 3.401 -14.784 1.047 1.00 2.34 H new ATOM 0 HB2 ASN A 140 4.984 -12.196 1.094 1.00 73.40 H new ATOM 0 HB3 ASN A 140 3.356 -12.368 0.471 1.00 73.40 H new ATOM 0 HD21 ASN A 140 3.964 -11.631 4.357 1.00 45.14 H new ATOM 0 HD22 ASN A 140 5.291 -11.786 3.201 1.00 45.14 H new ATOM 1423 N GLN A 141 4.487 -13.465 -1.380 1.00 42.22 N ATOM 1424 CA GLN A 141 4.986 -13.470 -2.719 1.00 32.05 C ATOM 1425 C GLN A 141 6.168 -12.578 -2.746 1.00 24.32 C ATOM 1426 O GLN A 141 6.302 -11.738 -1.873 1.00 14.00 O ATOM 1427 CB GLN A 141 3.974 -12.914 -3.719 1.00 41.53 C ATOM 1428 CG GLN A 141 3.612 -11.446 -3.589 1.00 22.33 C ATOM 1429 CD GLN A 141 2.688 -11.135 -2.445 1.00 52.42 C ATOM 1430 OE1 GLN A 141 1.474 -11.177 -2.593 1.00 41.14 O ATOM 1431 NE2 GLN A 141 3.240 -10.771 -1.323 1.00 10.43 N ATOM 0 H GLN A 141 3.839 -12.706 -1.170 1.00 42.22 H new ATOM 0 HA GLN A 141 5.213 -14.499 -2.999 1.00 32.05 H new ATOM 0 HB2 GLN A 141 4.364 -13.079 -4.723 1.00 41.53 H new ATOM 0 HB3 GLN A 141 3.057 -13.498 -3.633 1.00 41.53 H new ATOM 0 HG2 GLN A 141 4.528 -10.867 -3.468 1.00 22.33 H new ATOM 0 HG3 GLN A 141 3.146 -11.115 -4.517 1.00 22.33 H new ATOM 0 HE21 GLN A 141 4.256 -10.749 -1.238 1.00 10.43 H new ATOM 0 HE22 GLN A 141 2.656 -10.508 -0.529 1.00 10.43 H new ATOM 1440 N THR A 142 6.974 -12.683 -3.742 1.00 15.32 N ATOM 1441 CA THR A 142 8.091 -11.831 -3.831 1.00 10.44 C ATOM 1442 C THR A 142 7.727 -10.614 -4.664 1.00 41.02 C ATOM 1443 O THR A 142 7.455 -10.678 -5.863 1.00 62.41 O ATOM 1444 CB THR A 142 9.355 -12.565 -4.327 1.00 2.43 C ATOM 1445 OG1 THR A 142 9.006 -13.462 -5.398 1.00 31.31 O ATOM 1446 CG2 THR A 142 10.018 -13.346 -3.173 1.00 72.22 C ATOM 0 H THR A 142 6.875 -13.353 -4.504 1.00 15.32 H new ATOM 0 HA THR A 142 8.356 -11.485 -2.832 1.00 10.44 H new ATOM 0 HB THR A 142 10.068 -11.827 -4.694 1.00 2.43 H new ATOM 0 HG1 THR A 142 9.810 -13.925 -5.712 1.00 31.31 H new ATOM 0 HG21 THR A 142 10.907 -13.857 -3.543 1.00 72.22 H new ATOM 0 HG22 THR A 142 10.301 -12.653 -2.380 1.00 72.22 H new ATOM 0 HG23 THR A 142 9.315 -14.080 -2.780 1.00 72.22 H new ATOM 1454 N ILE A 143 7.658 -9.553 -3.958 1.00 41.43 N ATOM 1455 CA ILE A 143 7.254 -8.249 -4.370 1.00 62.51 C ATOM 1456 C ILE A 143 8.342 -7.264 -4.033 1.00 62.41 C ATOM 1457 O ILE A 143 9.186 -7.560 -3.176 1.00 34.22 O ATOM 1458 CB ILE A 143 5.850 -7.833 -3.839 1.00 21.14 C ATOM 1459 CG1 ILE A 143 5.672 -8.159 -2.393 1.00 71.25 C ATOM 1460 CG2 ILE A 143 4.728 -8.413 -4.654 1.00 25.03 C ATOM 1461 CD1 ILE A 143 6.307 -7.143 -1.517 1.00 5.50 C ATOM 0 H ILE A 143 7.908 -9.569 -2.969 1.00 41.43 H new ATOM 0 HA ILE A 143 7.122 -8.258 -5.452 1.00 62.51 H new ATOM 0 HB ILE A 143 5.806 -6.749 -3.945 1.00 21.14 H new ATOM 0 HG12 ILE A 143 4.608 -8.224 -2.163 1.00 71.25 H new ATOM 0 HG13 ILE A 143 6.103 -9.138 -2.185 1.00 71.25 H new ATOM 0 HG21 ILE A 143 3.773 -8.091 -4.239 1.00 25.03 H new ATOM 0 HG22 ILE A 143 4.811 -8.068 -5.685 1.00 25.03 H new ATOM 0 HG23 ILE A 143 4.785 -9.501 -4.630 1.00 25.03 H new ATOM 0 HD11 ILE A 143 6.155 -7.417 -0.473 1.00 5.50 H new ATOM 0 HD12 ILE A 143 7.375 -7.097 -1.728 1.00 5.50 H new ATOM 0 HD13 ILE A 143 5.858 -6.168 -1.706 1.00 5.50 H new ATOM 1473 N PHE A 144 8.393 -6.173 -4.723 1.00 5.10 N ATOM 1474 CA PHE A 144 9.501 -5.268 -4.601 1.00 61.13 C ATOM 1475 C PHE A 144 9.220 -4.310 -3.483 1.00 51.54 C ATOM 1476 O PHE A 144 8.210 -3.622 -3.485 1.00 42.13 O ATOM 1477 CB PHE A 144 9.620 -4.441 -5.887 1.00 11.41 C ATOM 1478 CG PHE A 144 9.915 -5.217 -7.130 1.00 32.30 C ATOM 1479 CD1 PHE A 144 8.884 -5.745 -7.903 1.00 42.12 C ATOM 1480 CD2 PHE A 144 11.218 -5.399 -7.542 1.00 64.44 C ATOM 1481 CE1 PHE A 144 9.161 -6.444 -9.060 1.00 32.14 C ATOM 1482 CE2 PHE A 144 11.504 -6.101 -8.696 1.00 51.23 C ATOM 1483 CZ PHE A 144 10.472 -6.623 -9.458 1.00 54.03 C ATOM 0 H PHE A 144 7.675 -5.879 -5.385 1.00 5.10 H new ATOM 0 HA PHE A 144 10.413 -5.835 -4.417 1.00 61.13 H new ATOM 0 HB2 PHE A 144 8.688 -3.895 -6.034 1.00 11.41 H new ATOM 0 HB3 PHE A 144 10.406 -3.699 -5.749 1.00 11.41 H new ATOM 0 HD1 PHE A 144 7.858 -5.606 -7.594 1.00 42.12 H new ATOM 0 HD2 PHE A 144 12.025 -4.987 -6.955 1.00 64.44 H new ATOM 0 HE1 PHE A 144 8.355 -6.850 -9.653 1.00 32.14 H new ATOM 0 HE2 PHE A 144 12.530 -6.243 -9.004 1.00 51.23 H new ATOM 0 HZ PHE A 144 10.692 -7.170 -10.363 1.00 54.03 H new ATOM 1493 N GLU A 145 10.098 -4.287 -2.526 1.00 60.12 N ATOM 1494 CA GLU A 145 9.949 -3.449 -1.403 1.00 2.12 C ATOM 1495 C GLU A 145 10.708 -2.178 -1.705 1.00 53.31 C ATOM 1496 O GLU A 145 11.779 -2.216 -2.306 1.00 60.14 O ATOM 1497 CB GLU A 145 10.496 -4.120 -0.118 1.00 35.14 C ATOM 1498 CG GLU A 145 9.957 -5.515 0.189 1.00 42.11 C ATOM 1499 CD GLU A 145 10.125 -5.910 1.667 1.00 1.42 C ATOM 1500 OE1 GLU A 145 11.263 -6.201 2.107 1.00 11.03 O ATOM 1501 OE2 GLU A 145 9.108 -5.916 2.420 1.00 11.53 O ATOM 0 H GLU A 145 10.942 -4.860 -2.514 1.00 60.12 H new ATOM 0 HA GLU A 145 8.894 -3.244 -1.219 1.00 2.12 H new ATOM 0 HB2 GLU A 145 11.581 -4.181 -0.197 1.00 35.14 H new ATOM 0 HB3 GLU A 145 10.274 -3.472 0.730 1.00 35.14 H new ATOM 0 HG2 GLU A 145 8.900 -5.557 -0.075 1.00 42.11 H new ATOM 0 HG3 GLU A 145 10.471 -6.244 -0.437 1.00 42.11 H new ATOM 1508 N GLN A 146 10.154 -1.081 -1.355 1.00 11.51 N ATOM 1509 CA GLN A 146 10.747 0.177 -1.653 1.00 24.24 C ATOM 1510 C GLN A 146 10.990 0.904 -0.344 1.00 12.10 C ATOM 1511 O GLN A 146 10.048 1.179 0.376 1.00 64.11 O ATOM 1512 CB GLN A 146 9.821 0.963 -2.589 1.00 53.15 C ATOM 1513 CG GLN A 146 10.552 2.030 -3.360 1.00 33.55 C ATOM 1514 CD GLN A 146 9.724 2.742 -4.388 1.00 14.25 C ATOM 1515 OE1 GLN A 146 9.655 2.330 -5.540 1.00 11.01 O ATOM 1516 NE2 GLN A 146 9.109 3.819 -4.000 1.00 64.12 N ATOM 0 H GLN A 146 9.270 -1.023 -0.850 1.00 11.51 H new ATOM 0 HA GLN A 146 11.702 0.058 -2.166 1.00 24.24 H new ATOM 0 HB2 GLN A 146 9.347 0.274 -3.288 1.00 53.15 H new ATOM 0 HB3 GLN A 146 9.024 1.423 -2.005 1.00 53.15 H new ATOM 0 HG2 GLN A 146 10.942 2.765 -2.656 1.00 33.55 H new ATOM 0 HG3 GLN A 146 11.410 1.577 -3.856 1.00 33.55 H new ATOM 0 HE21 GLN A 146 9.190 4.132 -3.032 1.00 64.12 H new ATOM 0 HE22 GLN A 146 8.546 4.352 -4.663 1.00 64.12 H new ATOM 1525 N THR A 147 12.254 1.118 0.004 1.00 44.33 N ATOM 1526 CA THR A 147 12.618 1.733 1.279 1.00 0.22 C ATOM 1527 C THR A 147 13.225 3.104 1.072 1.00 14.44 C ATOM 1528 O THR A 147 13.811 3.378 0.047 1.00 41.14 O ATOM 1529 CB THR A 147 13.675 0.882 2.007 1.00 61.34 C ATOM 1530 OG1 THR A 147 13.844 -0.387 1.326 1.00 74.51 O ATOM 1531 CG2 THR A 147 13.259 0.639 3.458 1.00 15.32 C ATOM 0 H THR A 147 13.051 0.873 -0.583 1.00 44.33 H new ATOM 0 HA THR A 147 11.702 1.807 1.865 1.00 0.22 H new ATOM 0 HB THR A 147 14.621 1.423 1.999 1.00 61.34 H new ATOM 0 HG1 THR A 147 14.025 -1.090 1.984 1.00 74.51 H new ATOM 0 HG21 THR A 147 14.017 0.036 3.958 1.00 15.32 H new ATOM 0 HG22 THR A 147 13.158 1.595 3.973 1.00 15.32 H new ATOM 0 HG23 THR A 147 12.305 0.113 3.480 1.00 15.32 H new ATOM 1539 N ILE A 148 13.085 3.958 2.045 1.00 31.22 N ATOM 1540 CA ILE A 148 13.689 5.271 1.995 1.00 23.40 C ATOM 1541 C ILE A 148 14.940 5.222 2.828 1.00 75.01 C ATOM 1542 O ILE A 148 15.063 4.390 3.718 1.00 12.21 O ATOM 1543 CB ILE A 148 12.759 6.347 2.581 1.00 64.14 C ATOM 1544 CG1 ILE A 148 11.371 6.092 2.065 1.00 52.42 C ATOM 1545 CG2 ILE A 148 13.234 7.719 2.103 1.00 62.15 C ATOM 1546 CD1 ILE A 148 10.251 6.710 2.838 1.00 61.23 C ATOM 0 H ILE A 148 12.553 3.771 2.895 1.00 31.22 H new ATOM 0 HA ILE A 148 13.893 5.529 0.956 1.00 23.40 H new ATOM 0 HB ILE A 148 12.768 6.317 3.671 1.00 64.14 H new ATOM 0 HG12 ILE A 148 11.317 6.452 1.038 1.00 52.42 H new ATOM 0 HG13 ILE A 148 11.211 5.014 2.034 1.00 52.42 H new ATOM 0 HG21 ILE A 148 12.583 8.492 2.511 1.00 62.15 H new ATOM 0 HG22 ILE A 148 14.256 7.889 2.442 1.00 62.15 H new ATOM 0 HG23 ILE A 148 13.202 7.756 1.014 1.00 62.15 H new ATOM 0 HD11 ILE A 148 9.301 6.455 2.369 1.00 61.23 H new ATOM 0 HD12 ILE A 148 10.263 6.333 3.861 1.00 61.23 H new ATOM 0 HD13 ILE A 148 10.371 7.793 2.849 1.00 61.23 H new ATOM 1558 N ASN A 149 15.854 6.074 2.529 1.00 44.23 N ATOM 1559 CA ASN A 149 17.102 6.145 3.235 1.00 43.41 C ATOM 1560 C ASN A 149 17.097 7.288 4.230 1.00 62.40 C ATOM 1561 O ASN A 149 18.138 7.693 4.716 1.00 14.23 O ATOM 1562 CB ASN A 149 18.267 6.258 2.219 1.00 2.12 C ATOM 1563 CG ASN A 149 18.039 7.287 1.094 1.00 33.35 C ATOM 1564 OD1 ASN A 149 18.444 7.060 -0.053 1.00 63.04 O ATOM 1565 ND2 ASN A 149 17.444 8.426 1.402 1.00 0.01 N ATOM 0 H ASN A 149 15.763 6.756 1.776 1.00 44.23 H new ATOM 0 HA ASN A 149 17.244 5.231 3.812 1.00 43.41 H new ATOM 0 HB2 ASN A 149 19.177 6.523 2.757 1.00 2.12 H new ATOM 0 HB3 ASN A 149 18.436 5.279 1.770 1.00 2.12 H new ATOM 0 HD21 ASN A 149 17.310 9.141 0.687 1.00 0.01 H new ATOM 0 HD22 ASN A 149 17.119 8.590 2.355 1.00 0.01 H new ATOM 1572 N ASP A 150 15.909 7.804 4.549 1.00 14.54 N ATOM 1573 CA ASP A 150 15.824 8.933 5.469 1.00 4.42 C ATOM 1574 C ASP A 150 14.426 9.069 6.053 1.00 4.01 C ATOM 1575 O ASP A 150 14.239 9.021 7.258 1.00 75.10 O ATOM 1576 CB ASP A 150 16.178 10.199 4.744 1.00 34.14 C ATOM 1577 CG ASP A 150 16.644 11.281 5.697 1.00 14.25 C ATOM 1578 OD1 ASP A 150 15.807 12.040 6.224 1.00 4.10 O ATOM 1579 OD2 ASP A 150 17.867 11.384 5.944 1.00 32.34 O ATOM 0 H ASP A 150 15.015 7.467 4.193 1.00 14.54 H new ATOM 0 HA ASP A 150 16.524 8.755 6.286 1.00 4.42 H new ATOM 0 HB2 ASP A 150 16.962 9.994 4.016 1.00 34.14 H new ATOM 0 HB3 ASP A 150 15.311 10.554 4.187 1.00 34.14 H new ATOM 1584 N LEU A 151 13.428 9.167 5.169 1.00 20.42 N ATOM 1585 CA LEU A 151 11.998 9.357 5.551 1.00 65.31 C ATOM 1586 C LEU A 151 11.379 8.022 5.996 1.00 3.31 C ATOM 1587 O LEU A 151 10.166 7.862 6.005 1.00 5.02 O ATOM 1588 CB LEU A 151 11.224 9.809 4.330 1.00 74.50 C ATOM 1589 CG LEU A 151 11.774 10.962 3.529 1.00 61.41 C ATOM 1590 CD1 LEU A 151 11.383 10.764 2.093 1.00 40.43 C ATOM 1591 CD2 LEU A 151 11.189 12.257 4.008 1.00 72.04 C ATOM 0 H LEU A 151 13.575 9.118 4.161 1.00 20.42 H new ATOM 0 HA LEU A 151 11.951 10.087 6.359 1.00 65.31 H new ATOM 0 HB2 LEU A 151 11.127 8.954 3.661 1.00 74.50 H new ATOM 0 HB3 LEU A 151 10.218 10.077 4.653 1.00 74.50 H new ATOM 0 HG LEU A 151 12.858 10.997 3.642 1.00 61.41 H new ATOM 0 HD11 LEU A 151 11.771 11.588 1.493 1.00 40.43 H new ATOM 0 HD12 LEU A 151 11.798 9.824 1.729 1.00 40.43 H new ATOM 0 HD13 LEU A 151 10.296 10.737 2.012 1.00 40.43 H new ATOM 0 HD21 LEU A 151 11.596 13.080 3.420 1.00 72.04 H new ATOM 0 HD22 LEU A 151 10.105 12.231 3.894 1.00 72.04 H new ATOM 0 HD23 LEU A 151 11.440 12.403 5.059 1.00 72.04 H new ATOM 1603 N THR A 152 12.234 7.113 6.383 1.00 64.32 N ATOM 1604 CA THR A 152 11.938 5.734 6.756 1.00 3.33 C ATOM 1605 C THR A 152 10.861 5.606 7.874 1.00 43.34 C ATOM 1606 O THR A 152 10.264 4.544 8.054 1.00 3.24 O ATOM 1607 CB THR A 152 13.255 5.120 7.229 1.00 2.44 C ATOM 1608 OG1 THR A 152 14.305 5.646 6.376 1.00 71.14 O ATOM 1609 CG2 THR A 152 13.226 3.599 7.100 1.00 42.33 C ATOM 0 H THR A 152 13.230 7.321 6.455 1.00 64.32 H new ATOM 0 HA THR A 152 11.520 5.217 5.892 1.00 3.33 H new ATOM 0 HB THR A 152 13.423 5.368 8.277 1.00 2.44 H new ATOM 0 HG1 THR A 152 14.372 5.100 5.565 1.00 71.14 H new ATOM 0 HG21 THR A 152 14.175 3.187 7.443 1.00 42.33 H new ATOM 0 HG22 THR A 152 12.415 3.198 7.708 1.00 42.33 H new ATOM 0 HG23 THR A 152 13.067 3.325 6.057 1.00 42.33 H new ATOM 1617 N PHE A 153 10.646 6.676 8.608 1.00 63.42 N ATOM 1618 CA PHE A 153 9.630 6.720 9.658 1.00 30.21 C ATOM 1619 C PHE A 153 8.200 6.655 9.074 1.00 54.43 C ATOM 1620 O PHE A 153 7.591 5.576 8.963 1.00 22.45 O ATOM 1621 CB PHE A 153 9.809 7.985 10.519 1.00 64.21 C ATOM 1622 CG PHE A 153 9.779 9.293 9.751 1.00 15.43 C ATOM 1623 CD1 PHE A 153 8.584 9.965 9.534 1.00 73.41 C ATOM 1624 CD2 PHE A 153 10.951 9.852 9.257 1.00 35.23 C ATOM 1625 CE1 PHE A 153 8.557 11.161 8.842 1.00 52.52 C ATOM 1626 CE2 PHE A 153 10.930 11.049 8.563 1.00 1.34 C ATOM 1627 CZ PHE A 153 9.732 11.704 8.356 1.00 23.43 C ATOM 0 H PHE A 153 11.167 7.546 8.500 1.00 63.42 H new ATOM 0 HA PHE A 153 9.763 5.841 10.289 1.00 30.21 H new ATOM 0 HB2 PHE A 153 9.023 8.006 11.274 1.00 64.21 H new ATOM 0 HB3 PHE A 153 10.759 7.914 11.049 1.00 64.21 H new ATOM 0 HD1 PHE A 153 7.662 9.547 9.911 1.00 73.41 H new ATOM 0 HD2 PHE A 153 11.891 9.345 9.417 1.00 35.23 H new ATOM 0 HE1 PHE A 153 7.619 11.671 8.681 1.00 52.52 H new ATOM 0 HE2 PHE A 153 11.849 11.470 8.184 1.00 1.34 H new ATOM 0 HZ PHE A 153 9.713 12.639 7.815 1.00 23.43 H new