USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=27 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 -101:sc= -3.82! USER MOD Set 1.2: A 107 CYS SG : rot 106:sc= 0.498! USER MOD Set 1.3: A 120 HIS : no HD1:sc= -3.97! C(o=-9!,f=-30!) USER MOD Set 1.4: A 125 HIS : no HD1:sc= -1.67 K(o=-9,f=-22!) USER MOD Set 2.1: A 100 SER OG : rot -60:sc= 0.472 USER MOD Set 2.2: A 135 MET CE :methyl -122:sc=-0.00599 (180deg=-0.26) USER MOD Set 3.1: A 72 CYS SG : rot 134:sc= -0.299! USER MOD Set 3.2: A 75 CYS SG : rot -94:sc= -3.86! USER MOD Set 3.3: A 88 HIS : no HE2:sc= -1.17! C(o=-11!,f=-30!) USER MOD Set 3.4: A 93 HIS : no HE2:sc= -5.82! C(o=-11!,f=-19!) USER MOD Set 4.1: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 101 SER OG : rot 106:sc= -0.539 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.415 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -2.25! C(o=-2.2!,f=-4.6!) USER MOD Single : A 79 THR OG1 : rot 170:sc= 0.0329 USER MOD Single : A 83 ASN : amide:sc= -0.95! K(o=-0.95!,f=-0.08) 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 -75:sc= 1.33 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -1.49! K(o=-1.5!,f=-0.17) USER MOD Single : A 111 THR OG1 : rot 70:sc= 0.813 USER MOD Single : A 112 LYS NZ :NH3+ -168:sc=-0.00853 (180deg=-0.185) 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= -2.05 K(o=-2.1,f=-3.2!) USER MOD Single : A 123 LYS NZ :NH3+ 160:sc= 0.396 (180deg=0.246) USER MOD Single : A 124 TYR OH : rot -148:sc= -2.36! USER MOD Single : A 130 ASN : amide:sc= -3.3! K(o=-3.3!,f=-0.6) 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 137 LYS NZ :NH3+ -171:sc= 1.16 (180deg=1.08) USER MOD Single : A 139 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 140 ASN : amide:sc= 0.429 X(o=0.43,f=0) USER MOD Single : A 141 GLN : amide:sc= -5.2! C(o=-5.2!,f=-1.4!) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.00647 USER MOD Single : A 146 GLN : amide:sc= 0.181 K(o=0.18,f=-1.5!) USER MOD Single : A 147 THR OG1 : rot -157:sc= -2.64! USER MOD Single : A 149 ASN : amide:sc= -4.03! C(o=-4!,f=-2.3!) USER MOD Single : A 152 THR OG1 : rot -77:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 235 N VAL A 66 -4.255 5.722 -4.065 1.00 33.42 N ATOM 236 CA VAL A 66 -3.785 5.727 -2.739 1.00 61.30 C ATOM 237 C VAL A 66 -4.063 7.136 -2.167 1.00 70.20 C ATOM 238 O VAL A 66 -3.654 8.167 -2.743 1.00 35.20 O ATOM 239 CB VAL A 66 -2.266 5.325 -2.694 1.00 32.12 C ATOM 240 CG1 VAL A 66 -1.329 6.464 -3.055 1.00 33.24 C ATOM 241 CG2 VAL A 66 -1.900 4.670 -1.386 1.00 64.05 C ATOM 0 HA VAL A 66 -4.298 4.988 -2.123 1.00 61.30 H new ATOM 0 HB VAL A 66 -2.127 4.580 -3.477 1.00 32.12 H new ATOM 0 HG11 VAL A 66 -0.297 6.117 -3.004 1.00 33.24 H new ATOM 0 HG12 VAL A 66 -1.546 6.807 -4.066 1.00 33.24 H new ATOM 0 HG13 VAL A 66 -1.470 7.287 -2.354 1.00 33.24 H new ATOM 0 HG21 VAL A 66 -0.842 4.407 -1.394 1.00 64.05 H new ATOM 0 HG22 VAL A 66 -2.096 5.361 -0.566 1.00 64.05 H new ATOM 0 HG23 VAL A 66 -2.497 3.768 -1.251 1.00 64.05 H new ATOM 251 N GLU A 67 -4.846 7.196 -1.132 1.00 23.53 N ATOM 252 CA GLU A 67 -5.226 8.480 -0.594 1.00 61.53 C ATOM 253 C GLU A 67 -4.259 8.980 0.446 1.00 13.11 C ATOM 254 O GLU A 67 -3.379 9.762 0.135 1.00 20.00 O ATOM 255 CB GLU A 67 -6.636 8.437 -0.068 1.00 53.22 C ATOM 256 CG GLU A 67 -7.614 7.931 -1.088 1.00 54.42 C ATOM 257 CD GLU A 67 -9.033 7.981 -0.601 1.00 24.34 C ATOM 258 OE1 GLU A 67 -9.503 7.011 0.020 1.00 42.14 O ATOM 259 OE2 GLU A 67 -9.729 9.001 -0.838 1.00 53.11 O ATOM 0 H GLU A 67 -5.233 6.388 -0.645 1.00 23.53 H new ATOM 0 HA GLU A 67 -5.188 9.199 -1.412 1.00 61.53 H new ATOM 0 HB2 GLU A 67 -6.672 7.798 0.814 1.00 53.22 H new ATOM 0 HB3 GLU A 67 -6.932 9.436 0.251 1.00 53.22 H new ATOM 0 HG2 GLU A 67 -7.525 8.525 -1.998 1.00 54.42 H new ATOM 0 HG3 GLU A 67 -7.360 6.904 -1.352 1.00 54.42 H new ATOM 266 N GLY A 68 -4.401 8.528 1.664 1.00 4.20 N ATOM 267 CA GLY A 68 -3.503 8.992 2.695 1.00 32.44 C ATOM 268 C GLY A 68 -3.125 7.904 3.652 1.00 62.10 C ATOM 269 O GLY A 68 -2.318 8.109 4.555 1.00 5.15 O ATOM 0 H GLY A 68 -5.108 7.857 1.964 1.00 4.20 H new ATOM 0 HA2 GLY A 68 -2.602 9.396 2.234 1.00 32.44 H new ATOM 0 HA3 GLY A 68 -3.974 9.808 3.244 1.00 32.44 H new ATOM 273 N GLY A 69 -3.684 6.740 3.454 1.00 62.11 N ATOM 274 CA GLY A 69 -3.378 5.658 4.319 1.00 35.33 C ATOM 275 C GLY A 69 -2.666 4.549 3.630 1.00 3.41 C ATOM 276 O GLY A 69 -1.914 4.765 2.702 1.00 21.41 O ATOM 0 H GLY A 69 -4.345 6.528 2.707 1.00 62.11 H new ATOM 0 HA2 GLY A 69 -2.764 6.021 5.143 1.00 35.33 H new ATOM 0 HA3 GLY A 69 -4.301 5.275 4.754 1.00 35.33 H new ATOM 280 N TYR A 70 -2.956 3.362 4.012 1.00 52.32 N ATOM 281 CA TYR A 70 -2.284 2.224 3.470 1.00 3.41 C ATOM 282 C TYR A 70 -3.254 1.454 2.659 1.00 41.14 C ATOM 283 O TYR A 70 -4.224 0.894 3.184 1.00 5.32 O ATOM 284 CB TYR A 70 -1.679 1.369 4.588 1.00 12.10 C ATOM 285 CG TYR A 70 -0.885 2.179 5.586 1.00 30.14 C ATOM 286 CD1 TYR A 70 0.204 2.942 5.186 1.00 25.24 C ATOM 287 CD2 TYR A 70 -1.249 2.208 6.925 1.00 72.40 C ATOM 288 CE1 TYR A 70 0.902 3.714 6.091 1.00 61.14 C ATOM 289 CE2 TYR A 70 -0.555 2.966 7.833 1.00 13.43 C ATOM 290 CZ TYR A 70 0.519 3.723 7.413 1.00 22.24 C ATOM 291 OH TYR A 70 1.208 4.504 8.318 1.00 54.12 O ATOM 0 H TYR A 70 -3.666 3.143 4.710 1.00 52.32 H new ATOM 0 HA TYR A 70 -1.457 2.542 2.835 1.00 3.41 H new ATOM 0 HB2 TYR A 70 -2.479 0.843 5.109 1.00 12.10 H new ATOM 0 HB3 TYR A 70 -1.032 0.610 4.148 1.00 12.10 H new ATOM 0 HD1 TYR A 70 0.509 2.931 4.150 1.00 25.24 H new ATOM 0 HD2 TYR A 70 -2.094 1.623 7.258 1.00 72.40 H new ATOM 0 HE1 TYR A 70 1.743 4.307 5.765 1.00 61.14 H new ATOM 0 HE2 TYR A 70 -0.848 2.970 8.872 1.00 13.43 H new ATOM 0 HH TYR A 70 0.812 4.399 9.208 1.00 54.12 H new ATOM 301 N GLU A 71 -3.055 1.523 1.381 1.00 52.11 N ATOM 302 CA GLU A 71 -3.860 0.835 0.446 1.00 13.05 C ATOM 303 C GLU A 71 -3.278 -0.511 0.258 1.00 3.21 C ATOM 304 O GLU A 71 -2.091 -0.638 0.076 1.00 20.32 O ATOM 305 CB GLU A 71 -3.882 1.563 -0.889 1.00 73.40 C ATOM 306 CG GLU A 71 -4.703 0.857 -1.941 1.00 1.40 C ATOM 307 CD GLU A 71 -4.598 1.504 -3.280 1.00 25.42 C ATOM 308 OE1 GLU A 71 -3.562 1.300 -3.992 1.00 24.51 O ATOM 309 OE2 GLU A 71 -5.545 2.207 -3.680 1.00 1.21 O ATOM 0 H GLU A 71 -2.309 2.074 0.958 1.00 52.11 H new ATOM 0 HA GLU A 71 -4.884 0.775 0.816 1.00 13.05 H new ATOM 0 HB2 GLU A 71 -4.280 2.567 -0.741 1.00 73.40 H new ATOM 0 HB3 GLU A 71 -2.860 1.675 -1.251 1.00 73.40 H new ATOM 0 HG2 GLU A 71 -4.376 -0.180 -2.016 1.00 1.40 H new ATOM 0 HG3 GLU A 71 -5.748 0.840 -1.631 1.00 1.40 H new ATOM 316 N CYS A 72 -4.090 -1.478 0.363 1.00 10.13 N ATOM 317 CA CYS A 72 -3.673 -2.833 0.150 1.00 61.24 C ATOM 318 C CYS A 72 -3.588 -3.158 -1.343 1.00 30.33 C ATOM 319 O CYS A 72 -4.304 -2.607 -2.164 1.00 13.32 O ATOM 320 CB CYS A 72 -4.665 -3.796 0.767 1.00 72.04 C ATOM 321 SG CYS A 72 -5.038 -3.571 2.538 1.00 72.40 S ATOM 0 H CYS A 72 -5.076 -1.372 0.601 1.00 10.13 H new ATOM 0 HA CYS A 72 -2.692 -2.940 0.612 1.00 61.24 H new ATOM 0 HB2 CYS A 72 -5.600 -3.723 0.211 1.00 72.04 H new ATOM 0 HB3 CYS A 72 -4.288 -4.809 0.625 1.00 72.04 H new ATOM 0 HG CYS A 72 -6.324 -3.623 2.721 1.00 72.40 H new ATOM 326 N LYS A 73 -2.710 -4.060 -1.662 1.00 52.00 N ATOM 327 CA LYS A 73 -2.612 -4.626 -2.981 1.00 65.33 C ATOM 328 C LYS A 73 -3.793 -5.560 -3.216 1.00 65.12 C ATOM 329 O LYS A 73 -4.337 -5.637 -4.305 1.00 55.32 O ATOM 330 CB LYS A 73 -1.280 -5.416 -3.081 1.00 12.23 C ATOM 331 CG LYS A 73 -1.160 -6.392 -4.254 1.00 40.12 C ATOM 332 CD LYS A 73 -1.153 -5.708 -5.602 1.00 64.24 C ATOM 333 CE LYS A 73 -1.132 -6.750 -6.719 1.00 71.32 C ATOM 334 NZ LYS A 73 -0.992 -6.154 -8.068 1.00 20.25 N ATOM 0 H LYS A 73 -2.027 -4.433 -1.003 1.00 52.00 H new ATOM 0 HA LYS A 73 -2.628 -3.839 -3.735 1.00 65.33 H new ATOM 0 HB2 LYS A 73 -0.461 -4.700 -3.146 1.00 12.23 H new ATOM 0 HB3 LYS A 73 -1.142 -5.974 -2.155 1.00 12.23 H new ATOM 0 HG2 LYS A 73 -0.243 -6.971 -4.143 1.00 40.12 H new ATOM 0 HG3 LYS A 73 -1.990 -7.098 -4.217 1.00 40.12 H new ATOM 0 HD2 LYS A 73 -2.034 -5.074 -5.702 1.00 64.24 H new ATOM 0 HD3 LYS A 73 -0.282 -5.058 -5.684 1.00 64.24 H new ATOM 0 HE2 LYS A 73 -0.307 -7.442 -6.547 1.00 71.32 H new ATOM 0 HE3 LYS A 73 -2.052 -7.334 -6.680 1.00 71.32 H new ATOM 0 HZ1 LYS A 73 -0.984 -6.910 -8.782 1.00 20.25 H new ATOM 0 HZ2 LYS A 73 -1.792 -5.514 -8.250 1.00 20.25 H new ATOM 0 HZ3 LYS A 73 -0.102 -5.619 -8.120 1.00 20.25 H new ATOM 348 N TYR A 74 -4.237 -6.196 -2.152 1.00 52.35 N ATOM 349 CA TYR A 74 -5.201 -7.247 -2.274 1.00 71.32 C ATOM 350 C TYR A 74 -6.607 -6.797 -1.895 1.00 33.32 C ATOM 351 O TYR A 74 -7.515 -7.631 -1.786 1.00 72.03 O ATOM 352 CB TYR A 74 -4.784 -8.485 -1.457 1.00 5.24 C ATOM 353 CG TYR A 74 -3.421 -8.408 -0.753 1.00 62.23 C ATOM 354 CD1 TYR A 74 -2.233 -8.699 -1.416 1.00 23.11 C ATOM 355 CD2 TYR A 74 -3.348 -8.096 0.585 1.00 73.31 C ATOM 356 CE1 TYR A 74 -1.020 -8.678 -0.742 1.00 41.24 C ATOM 357 CE2 TYR A 74 -2.151 -8.062 1.265 1.00 52.42 C ATOM 358 CZ TYR A 74 -0.988 -8.357 0.601 1.00 61.53 C ATOM 359 OH TYR A 74 0.209 -8.350 1.284 1.00 2.43 O ATOM 0 H TYR A 74 -3.940 -5.997 -1.197 1.00 52.35 H new ATOM 0 HA TYR A 74 -5.227 -7.523 -3.328 1.00 71.32 H new ATOM 0 HB2 TYR A 74 -5.549 -8.671 -0.703 1.00 5.24 H new ATOM 0 HB3 TYR A 74 -4.777 -9.348 -2.123 1.00 5.24 H new ATOM 0 HD1 TYR A 74 -2.255 -8.944 -2.468 1.00 23.11 H new ATOM 0 HD2 TYR A 74 -4.259 -7.870 1.119 1.00 73.31 H new ATOM 0 HE1 TYR A 74 -0.105 -8.912 -1.266 1.00 41.24 H new ATOM 0 HE2 TYR A 74 -2.128 -7.805 2.314 1.00 52.42 H new ATOM 0 HH TYR A 74 0.051 -8.102 2.219 1.00 2.43 H new ATOM 369 N CYS A 75 -6.798 -5.506 -1.695 1.00 32.41 N ATOM 370 CA CYS A 75 -8.120 -4.972 -1.440 1.00 24.51 C ATOM 371 C CYS A 75 -8.097 -3.496 -1.701 1.00 32.33 C ATOM 372 O CYS A 75 -7.056 -2.878 -1.589 1.00 33.34 O ATOM 373 CB CYS A 75 -8.613 -5.257 0.004 1.00 61.23 C ATOM 374 SG CYS A 75 -7.822 -4.279 1.377 1.00 11.03 S ATOM 0 H CYS A 75 -6.053 -4.809 -1.705 1.00 32.41 H new ATOM 0 HA CYS A 75 -8.823 -5.470 -2.108 1.00 24.51 H new ATOM 0 HB2 CYS A 75 -9.688 -5.078 0.036 1.00 61.23 H new ATOM 0 HB3 CYS A 75 -8.460 -6.316 0.211 1.00 61.23 H new ATOM 0 HG CYS A 75 -6.836 -4.959 1.882 1.00 11.03 H new ATOM 379 N THR A 76 -9.224 -2.936 -2.024 1.00 52.01 N ATOM 380 CA THR A 76 -9.318 -1.519 -2.271 1.00 12.44 C ATOM 381 C THR A 76 -9.643 -0.799 -0.938 1.00 31.34 C ATOM 382 O THR A 76 -9.875 0.407 -0.889 1.00 23.44 O ATOM 383 CB THR A 76 -10.424 -1.261 -3.322 1.00 71.31 C ATOM 384 OG1 THR A 76 -10.315 -2.270 -4.352 1.00 73.01 O ATOM 385 CG2 THR A 76 -10.249 0.105 -3.981 1.00 4.14 C ATOM 0 H THR A 76 -10.104 -3.442 -2.125 1.00 52.01 H new ATOM 0 HA THR A 76 -8.375 -1.133 -2.658 1.00 12.44 H new ATOM 0 HB THR A 76 -11.393 -1.293 -2.824 1.00 71.31 H new ATOM 0 HG1 THR A 76 -11.010 -2.124 -5.028 1.00 73.01 H new ATOM 0 HG21 THR A 76 -11.040 0.259 -4.715 1.00 4.14 H new ATOM 0 HG22 THR A 76 -10.302 0.885 -3.221 1.00 4.14 H new ATOM 0 HG23 THR A 76 -9.280 0.148 -4.478 1.00 4.14 H new ATOM 393 N PHE A 77 -9.652 -1.570 0.141 1.00 2.41 N ATOM 394 CA PHE A 77 -9.910 -1.045 1.455 1.00 61.02 C ATOM 395 C PHE A 77 -8.616 -0.531 2.060 1.00 53.03 C ATOM 396 O PHE A 77 -7.701 -1.321 2.412 1.00 12.33 O ATOM 397 CB PHE A 77 -10.569 -2.096 2.358 1.00 32.14 C ATOM 398 CG PHE A 77 -11.919 -2.546 1.872 1.00 3.12 C ATOM 399 CD1 PHE A 77 -13.007 -1.693 1.938 1.00 51.22 C ATOM 400 CD2 PHE A 77 -12.100 -3.816 1.355 1.00 72.31 C ATOM 401 CE1 PHE A 77 -14.251 -2.096 1.494 1.00 73.30 C ATOM 402 CE2 PHE A 77 -13.341 -4.228 0.910 1.00 22.55 C ATOM 403 CZ PHE A 77 -14.418 -3.365 0.978 1.00 41.52 C ATOM 0 H PHE A 77 -9.480 -2.575 0.119 1.00 2.41 H new ATOM 0 HA PHE A 77 -10.612 -0.216 1.369 1.00 61.02 H new ATOM 0 HB2 PHE A 77 -9.912 -2.962 2.433 1.00 32.14 H new ATOM 0 HB3 PHE A 77 -10.672 -1.686 3.363 1.00 32.14 H new ATOM 0 HD1 PHE A 77 -12.881 -0.699 2.342 1.00 51.22 H new ATOM 0 HD2 PHE A 77 -11.261 -4.494 1.299 1.00 72.31 H new ATOM 0 HE1 PHE A 77 -15.091 -1.420 1.550 1.00 73.30 H new ATOM 0 HE2 PHE A 77 -13.469 -5.223 0.510 1.00 22.55 H new ATOM 0 HZ PHE A 77 -15.389 -3.683 0.628 1.00 41.52 H new ATOM 413 N GLN A 78 -8.534 0.766 2.140 1.00 41.51 N ATOM 414 CA GLN A 78 -7.377 1.462 2.615 1.00 42.30 C ATOM 415 C GLN A 78 -7.645 2.092 3.975 1.00 72.53 C ATOM 416 O GLN A 78 -8.760 2.529 4.259 1.00 51.40 O ATOM 417 CB GLN A 78 -6.990 2.549 1.591 1.00 71.35 C ATOM 418 CG GLN A 78 -5.916 3.468 2.043 1.00 3.44 C ATOM 419 CD GLN A 78 -5.454 4.422 0.985 1.00 62.13 C ATOM 420 OE1 GLN A 78 -6.197 4.885 0.139 1.00 41.11 O ATOM 421 NE2 GLN A 78 -4.197 4.636 0.988 1.00 3.21 N ATOM 0 H GLN A 78 -9.296 1.386 1.867 1.00 41.51 H new ATOM 0 HA GLN A 78 -6.556 0.754 2.730 1.00 42.30 H new ATOM 0 HB2 GLN A 78 -6.671 2.064 0.669 1.00 71.35 H new ATOM 0 HB3 GLN A 78 -7.876 3.137 1.352 1.00 71.35 H new ATOM 0 HG2 GLN A 78 -6.274 4.037 2.901 1.00 3.44 H new ATOM 0 HG3 GLN A 78 -5.065 2.878 2.384 1.00 3.44 H new ATOM 0 HE21 GLN A 78 -3.612 4.228 1.717 1.00 3.21 H new ATOM 0 HE22 GLN A 78 -3.777 5.216 0.262 1.00 3.21 H new ATOM 430 N THR A 79 -6.639 2.117 4.810 1.00 62.24 N ATOM 431 CA THR A 79 -6.737 2.745 6.097 1.00 20.24 C ATOM 432 C THR A 79 -5.389 3.334 6.473 1.00 50.51 C ATOM 433 O THR A 79 -4.358 2.726 6.227 1.00 20.04 O ATOM 434 CB THR A 79 -7.236 1.769 7.210 1.00 42.54 C ATOM 435 OG1 THR A 79 -7.317 2.456 8.463 1.00 40.02 O ATOM 436 CG2 THR A 79 -6.313 0.578 7.365 1.00 21.41 C ATOM 0 H THR A 79 -5.728 1.701 4.614 1.00 62.24 H new ATOM 0 HA THR A 79 -7.484 3.536 6.023 1.00 20.24 H new ATOM 0 HB THR A 79 -8.220 1.410 6.911 1.00 42.54 H new ATOM 0 HG1 THR A 79 -7.779 1.891 9.117 1.00 40.02 H new ATOM 0 HG21 THR A 79 -6.693 -0.078 8.148 1.00 21.41 H new ATOM 0 HG22 THR A 79 -6.265 0.030 6.424 1.00 21.41 H new ATOM 0 HG23 THR A 79 -5.315 0.924 7.634 1.00 21.41 H new ATOM 444 N PRO A 80 -5.368 4.575 6.960 1.00 74.10 N ATOM 445 CA PRO A 80 -4.144 5.222 7.438 1.00 53.14 C ATOM 446 C PRO A 80 -3.685 4.713 8.793 1.00 12.32 C ATOM 447 O PRO A 80 -2.658 5.155 9.315 1.00 11.14 O ATOM 448 CB PRO A 80 -4.523 6.694 7.511 1.00 50.52 C ATOM 449 CG PRO A 80 -5.996 6.696 7.728 1.00 65.10 C ATOM 450 CD PRO A 80 -6.527 5.491 7.004 1.00 70.21 C ATOM 0 HA PRO A 80 -3.302 5.017 6.777 1.00 53.14 H new ATOM 0 HB2 PRO A 80 -4.002 7.197 8.326 1.00 50.52 H new ATOM 0 HB3 PRO A 80 -4.258 7.217 6.592 1.00 50.52 H new ATOM 0 HG2 PRO A 80 -6.233 6.648 8.791 1.00 65.10 H new ATOM 0 HG3 PRO A 80 -6.445 7.611 7.343 1.00 65.10 H new ATOM 0 HD2 PRO A 80 -7.371 5.046 7.531 1.00 70.21 H new ATOM 0 HD3 PRO A 80 -6.875 5.746 6.003 1.00 70.21 H new ATOM 458 N ASP A 81 -4.427 3.799 9.353 1.00 33.40 N ATOM 459 CA ASP A 81 -4.081 3.236 10.619 1.00 4.34 C ATOM 460 C ASP A 81 -3.330 1.981 10.362 1.00 10.12 C ATOM 461 O ASP A 81 -3.847 1.102 9.695 1.00 1.50 O ATOM 462 CB ASP A 81 -5.310 2.842 11.366 1.00 32.10 C ATOM 463 CG ASP A 81 -5.084 2.822 12.841 1.00 34.51 C ATOM 464 OD1 ASP A 81 -4.599 1.821 13.339 1.00 73.30 O ATOM 465 OD2 ASP A 81 -5.383 3.827 13.529 1.00 35.03 O ATOM 0 H ASP A 81 -5.284 3.428 8.943 1.00 33.40 H new ATOM 0 HA ASP A 81 -3.508 3.967 11.190 1.00 4.34 H new ATOM 0 HB2 ASP A 81 -6.116 3.538 11.132 1.00 32.10 H new ATOM 0 HB3 ASP A 81 -5.635 1.855 11.035 1.00 32.10 H new ATOM 470 N LEU A 82 -2.138 1.887 10.855 1.00 62.32 N ATOM 471 CA LEU A 82 -1.346 0.711 10.681 1.00 32.41 C ATOM 472 C LEU A 82 -2.009 -0.456 11.417 1.00 73.13 C ATOM 473 O LEU A 82 -2.099 -1.543 10.873 1.00 4.35 O ATOM 474 CB LEU A 82 0.072 0.945 11.218 1.00 51.23 C ATOM 475 CG LEU A 82 1.225 0.153 10.549 1.00 72.42 C ATOM 476 CD1 LEU A 82 0.955 -1.335 10.516 1.00 41.42 C ATOM 477 CD2 LEU A 82 1.458 0.667 9.159 1.00 4.11 C ATOM 0 H LEU A 82 -1.684 2.626 11.392 1.00 62.32 H new ATOM 0 HA LEU A 82 -1.275 0.473 9.620 1.00 32.41 H new ATOM 0 HB2 LEU A 82 0.296 2.008 11.128 1.00 51.23 H new ATOM 0 HB3 LEU A 82 0.073 0.708 12.282 1.00 51.23 H new ATOM 0 HG LEU A 82 2.120 0.305 11.152 1.00 72.42 H new ATOM 0 HD11 LEU A 82 1.791 -1.846 10.038 1.00 41.42 H new ATOM 0 HD12 LEU A 82 0.837 -1.706 11.534 1.00 41.42 H new ATOM 0 HD13 LEU A 82 0.042 -1.527 9.952 1.00 41.42 H new ATOM 0 HD21 LEU A 82 2.269 0.106 8.695 1.00 4.11 H new ATOM 0 HD22 LEU A 82 0.549 0.546 8.569 1.00 4.11 H new ATOM 0 HD23 LEU A 82 1.725 1.723 9.202 1.00 4.11 H new ATOM 489 N ASN A 83 -2.535 -0.202 12.615 1.00 20.34 N ATOM 490 CA ASN A 83 -3.146 -1.234 13.427 1.00 53.20 C ATOM 491 C ASN A 83 -4.319 -1.800 12.670 1.00 62.51 C ATOM 492 O ASN A 83 -4.465 -3.001 12.570 1.00 5.31 O ATOM 493 CB ASN A 83 -3.663 -0.635 14.724 1.00 44.21 C ATOM 494 CG ASN A 83 -3.991 -1.637 15.827 1.00 44.21 C ATOM 495 OD1 ASN A 83 -3.926 -1.296 17.010 1.00 40.45 O ATOM 496 ND2 ASN A 83 -4.324 -2.849 15.484 1.00 53.33 N ATOM 0 H ASN A 83 -2.546 0.724 13.042 1.00 20.34 H new ATOM 0 HA ASN A 83 -2.409 -2.006 13.648 1.00 53.20 H new ATOM 0 HB2 ASN A 83 -2.918 0.065 15.103 1.00 44.21 H new ATOM 0 HB3 ASN A 83 -4.560 -0.057 14.504 1.00 44.21 H new ATOM 0 HD21 ASN A 83 -4.538 -3.541 16.202 1.00 53.33 H new ATOM 0 HD22 ASN A 83 -4.370 -3.105 14.498 1.00 53.33 H new ATOM 503 N MET A 84 -5.128 -0.921 12.108 1.00 70.32 N ATOM 504 CA MET A 84 -6.309 -1.351 11.351 1.00 64.24 C ATOM 505 C MET A 84 -5.891 -1.983 10.067 1.00 31.14 C ATOM 506 O MET A 84 -6.531 -2.926 9.586 1.00 51.23 O ATOM 507 CB MET A 84 -7.257 -0.207 11.052 1.00 1.41 C ATOM 508 CG MET A 84 -7.771 0.478 12.276 1.00 53.24 C ATOM 509 SD MET A 84 -8.681 -0.649 13.350 1.00 10.24 S ATOM 510 CE MET A 84 -9.126 0.449 14.694 1.00 42.12 C ATOM 0 H MET A 84 -4.998 0.090 12.155 1.00 70.32 H new ATOM 0 HA MET A 84 -6.839 -2.070 11.976 1.00 64.24 H new ATOM 0 HB2 MET A 84 -6.746 0.523 10.425 1.00 1.41 H new ATOM 0 HB3 MET A 84 -8.101 -0.586 10.476 1.00 1.41 H new ATOM 0 HG2 MET A 84 -6.936 0.909 12.828 1.00 53.24 H new ATOM 0 HG3 MET A 84 -8.420 1.303 11.984 1.00 53.24 H new ATOM 0 HE1 MET A 84 -9.695 -0.103 15.442 1.00 42.12 H new ATOM 0 HE2 MET A 84 -8.221 0.851 15.150 1.00 42.12 H new ATOM 0 HE3 MET A 84 -9.733 1.269 14.309 1.00 42.12 H new ATOM 520 N PHE A 85 -4.829 -1.461 9.494 1.00 21.44 N ATOM 521 CA PHE A 85 -4.288 -2.020 8.271 1.00 25.53 C ATOM 522 C PHE A 85 -3.848 -3.454 8.482 1.00 41.44 C ATOM 523 O PHE A 85 -4.385 -4.345 7.862 1.00 43.40 O ATOM 524 CB PHE A 85 -3.119 -1.161 7.747 1.00 62.33 C ATOM 525 CG PHE A 85 -2.337 -1.787 6.621 1.00 71.45 C ATOM 526 CD1 PHE A 85 -2.838 -1.830 5.319 1.00 74.44 C ATOM 527 CD2 PHE A 85 -1.088 -2.331 6.872 1.00 72.12 C ATOM 528 CE1 PHE A 85 -2.098 -2.402 4.299 1.00 4.14 C ATOM 529 CE2 PHE A 85 -0.349 -2.905 5.857 1.00 41.33 C ATOM 530 CZ PHE A 85 -0.855 -2.940 4.569 1.00 64.30 C ATOM 0 H PHE A 85 -4.322 -0.652 9.853 1.00 21.44 H new ATOM 0 HA PHE A 85 -5.077 -2.015 7.519 1.00 25.53 H new ATOM 0 HB2 PHE A 85 -3.513 -0.202 7.410 1.00 62.33 H new ATOM 0 HB3 PHE A 85 -2.439 -0.954 8.573 1.00 62.33 H new ATOM 0 HD1 PHE A 85 -3.811 -1.413 5.106 1.00 74.44 H new ATOM 0 HD2 PHE A 85 -0.687 -2.306 7.875 1.00 72.12 H new ATOM 0 HE1 PHE A 85 -2.492 -2.428 3.294 1.00 4.14 H new ATOM 0 HE2 PHE A 85 0.623 -3.326 6.068 1.00 41.33 H new ATOM 0 HZ PHE A 85 -0.277 -3.388 3.774 1.00 64.30 H new ATOM 540 N THR A 86 -2.984 -3.679 9.441 1.00 44.00 N ATOM 541 CA THR A 86 -2.452 -5.008 9.669 1.00 53.14 C ATOM 542 C THR A 86 -3.525 -5.934 10.223 1.00 2.10 C ATOM 543 O THR A 86 -3.470 -7.139 10.020 1.00 55.32 O ATOM 544 CB THR A 86 -1.161 -5.014 10.555 1.00 74.51 C ATOM 545 OG1 THR A 86 -0.663 -6.353 10.724 1.00 52.14 O ATOM 546 CG2 THR A 86 -1.413 -4.393 11.908 1.00 53.43 C ATOM 0 H THR A 86 -2.632 -2.964 10.077 1.00 44.00 H new ATOM 0 HA THR A 86 -2.141 -5.391 8.697 1.00 53.14 H new ATOM 0 HB THR A 86 -0.412 -4.416 10.036 1.00 74.51 H new ATOM 0 HG1 THR A 86 0.144 -6.334 11.279 1.00 52.14 H new ATOM 0 HG21 THR A 86 -0.495 -4.415 12.495 1.00 53.43 H new ATOM 0 HG22 THR A 86 -1.737 -3.360 11.780 1.00 53.43 H new ATOM 0 HG23 THR A 86 -2.189 -4.955 12.427 1.00 53.43 H new ATOM 554 N PHE A 87 -4.506 -5.360 10.891 1.00 22.23 N ATOM 555 CA PHE A 87 -5.610 -6.116 11.409 1.00 54.41 C ATOM 556 C PHE A 87 -6.488 -6.623 10.282 1.00 13.22 C ATOM 557 O PHE A 87 -6.724 -7.828 10.170 1.00 32.52 O ATOM 558 CB PHE A 87 -6.417 -5.286 12.423 1.00 44.02 C ATOM 559 CG PHE A 87 -7.754 -5.874 12.787 1.00 43.10 C ATOM 560 CD1 PHE A 87 -7.855 -7.174 13.256 1.00 62.34 C ATOM 561 CD2 PHE A 87 -8.906 -5.123 12.652 1.00 63.31 C ATOM 562 CE1 PHE A 87 -9.083 -7.713 13.587 1.00 45.24 C ATOM 563 CE2 PHE A 87 -10.140 -5.654 12.984 1.00 53.53 C ATOM 564 CZ PHE A 87 -10.227 -6.950 13.454 1.00 24.01 C ATOM 0 H PHE A 87 -4.553 -4.360 11.085 1.00 22.23 H new ATOM 0 HA PHE A 87 -5.214 -6.983 11.937 1.00 54.41 H new ATOM 0 HB2 PHE A 87 -5.826 -5.170 13.331 1.00 44.02 H new ATOM 0 HB3 PHE A 87 -6.572 -4.287 12.014 1.00 44.02 H new ATOM 0 HD1 PHE A 87 -6.963 -7.773 13.364 1.00 62.34 H new ATOM 0 HD2 PHE A 87 -8.843 -4.110 12.283 1.00 63.31 H new ATOM 0 HE1 PHE A 87 -9.149 -8.728 13.949 1.00 45.24 H new ATOM 0 HE2 PHE A 87 -11.033 -5.056 12.876 1.00 53.53 H new ATOM 0 HZ PHE A 87 -11.188 -7.366 13.717 1.00 24.01 H new ATOM 574 N HIS A 88 -6.940 -5.724 9.415 1.00 11.04 N ATOM 575 CA HIS A 88 -7.813 -6.136 8.339 1.00 71.20 C ATOM 576 C HIS A 88 -7.044 -6.999 7.347 1.00 24.20 C ATOM 577 O HIS A 88 -7.602 -7.864 6.709 1.00 42.40 O ATOM 578 CB HIS A 88 -8.584 -4.951 7.673 1.00 52.24 C ATOM 579 CG HIS A 88 -7.932 -4.246 6.508 1.00 43.21 C ATOM 580 ND1 HIS A 88 -7.307 -3.025 6.588 1.00 51.53 N ATOM 581 CD2 HIS A 88 -7.891 -4.608 5.200 1.00 3.14 C ATOM 582 CE1 HIS A 88 -6.907 -2.672 5.365 1.00 62.15 C ATOM 583 NE2 HIS A 88 -7.243 -3.626 4.454 1.00 40.24 N ATOM 0 H HIS A 88 -6.719 -4.729 9.439 1.00 11.04 H new ATOM 0 HA HIS A 88 -8.605 -6.750 8.768 1.00 71.20 H new ATOM 0 HB2 HIS A 88 -9.550 -5.328 7.337 1.00 52.24 H new ATOM 0 HB3 HIS A 88 -8.783 -4.207 8.444 1.00 52.24 H new ATOM 0 HD1 HIS A 88 -7.172 -2.480 7.439 1.00 51.53 H new ATOM 0 HD2 HIS A 88 -8.300 -5.523 4.797 1.00 3.14 H new ATOM 0 HE1 HIS A 88 -6.388 -1.755 5.130 1.00 62.15 H new ATOM 591 N VAL A 89 -5.751 -6.761 7.245 1.00 73.14 N ATOM 592 CA VAL A 89 -4.903 -7.559 6.392 1.00 11.41 C ATOM 593 C VAL A 89 -4.832 -8.963 6.931 1.00 32.13 C ATOM 594 O VAL A 89 -5.249 -9.866 6.273 1.00 11.24 O ATOM 595 CB VAL A 89 -3.479 -6.957 6.221 1.00 3.45 C ATOM 596 CG1 VAL A 89 -2.522 -7.948 5.574 1.00 62.31 C ATOM 597 CG2 VAL A 89 -3.540 -5.708 5.369 1.00 43.22 C ATOM 0 H VAL A 89 -5.266 -6.017 7.746 1.00 73.14 H new ATOM 0 HA VAL A 89 -5.348 -7.568 5.397 1.00 11.41 H new ATOM 0 HB VAL A 89 -3.108 -6.716 7.217 1.00 3.45 H new ATOM 0 HG11 VAL A 89 -1.538 -7.490 5.472 1.00 62.31 H new ATOM 0 HG12 VAL A 89 -2.445 -8.839 6.197 1.00 62.31 H new ATOM 0 HG13 VAL A 89 -2.897 -8.226 4.589 1.00 62.31 H new ATOM 0 HG21 VAL A 89 -2.538 -5.295 5.256 1.00 43.22 H new ATOM 0 HG22 VAL A 89 -3.943 -5.957 4.387 1.00 43.22 H new ATOM 0 HG23 VAL A 89 -4.184 -4.971 5.849 1.00 43.22 H new ATOM 607 N ASP A 90 -4.427 -9.113 8.184 1.00 41.31 N ATOM 608 CA ASP A 90 -4.261 -10.446 8.798 1.00 31.31 C ATOM 609 C ASP A 90 -5.580 -11.215 8.803 1.00 54.44 C ATOM 610 O ASP A 90 -5.612 -12.448 8.734 1.00 64.15 O ATOM 611 CB ASP A 90 -3.727 -10.315 10.228 1.00 31.51 C ATOM 612 CG ASP A 90 -3.475 -11.650 10.893 1.00 52.54 C ATOM 613 OD1 ASP A 90 -2.414 -12.259 10.629 1.00 32.23 O ATOM 614 OD2 ASP A 90 -4.314 -12.099 11.713 1.00 11.31 O ATOM 0 H ASP A 90 -4.204 -8.335 8.805 1.00 41.31 H new ATOM 0 HA ASP A 90 -3.540 -11.003 8.199 1.00 31.31 H new ATOM 0 HB2 ASP A 90 -2.799 -9.743 10.212 1.00 31.51 H new ATOM 0 HB3 ASP A 90 -4.441 -9.748 10.825 1.00 31.51 H new ATOM 619 N SER A 91 -6.653 -10.476 8.832 1.00 15.52 N ATOM 620 CA SER A 91 -7.966 -11.041 8.856 1.00 4.04 C ATOM 621 C SER A 91 -8.454 -11.423 7.448 1.00 45.01 C ATOM 622 O SER A 91 -8.957 -12.537 7.232 1.00 42.11 O ATOM 623 CB SER A 91 -8.930 -10.041 9.513 1.00 2.34 C ATOM 624 OG SER A 91 -10.253 -10.557 9.649 1.00 55.44 O ATOM 0 H SER A 91 -6.637 -9.456 8.840 1.00 15.52 H new ATOM 0 HA SER A 91 -7.936 -11.962 9.438 1.00 4.04 H new ATOM 0 HB2 SER A 91 -8.548 -9.768 10.497 1.00 2.34 H new ATOM 0 HB3 SER A 91 -8.960 -9.128 8.918 1.00 2.34 H new ATOM 0 HG SER A 91 -10.696 -10.556 8.775 1.00 55.44 H new ATOM 630 N GLU A 92 -8.294 -10.533 6.495 1.00 43.32 N ATOM 631 CA GLU A 92 -8.915 -10.747 5.188 1.00 11.40 C ATOM 632 C GLU A 92 -7.922 -11.271 4.141 1.00 32.53 C ATOM 633 O GLU A 92 -8.267 -12.099 3.296 1.00 33.12 O ATOM 634 CB GLU A 92 -9.545 -9.444 4.679 1.00 11.41 C ATOM 635 CG GLU A 92 -10.435 -8.710 5.680 1.00 40.02 C ATOM 636 CD GLU A 92 -11.579 -9.534 6.188 1.00 31.22 C ATOM 637 OE1 GLU A 92 -12.617 -9.608 5.500 1.00 61.55 O ATOM 638 OE2 GLU A 92 -11.480 -10.085 7.305 1.00 25.03 O ATOM 0 H GLU A 92 -7.755 -9.672 6.585 1.00 43.32 H new ATOM 0 HA GLU A 92 -9.683 -11.508 5.328 1.00 11.40 H new ATOM 0 HB2 GLU A 92 -8.746 -8.771 4.368 1.00 11.41 H new ATOM 0 HB3 GLU A 92 -10.135 -9.669 3.791 1.00 11.41 H new ATOM 0 HG2 GLU A 92 -9.827 -8.389 6.526 1.00 40.02 H new ATOM 0 HG3 GLU A 92 -10.829 -7.809 5.210 1.00 40.02 H new ATOM 645 N HIS A 93 -6.709 -10.790 4.199 1.00 0.34 N ATOM 646 CA HIS A 93 -5.678 -11.098 3.228 1.00 22.54 C ATOM 647 C HIS A 93 -4.291 -11.167 3.892 1.00 75.43 C ATOM 648 O HIS A 93 -3.446 -10.320 3.642 1.00 4.42 O ATOM 649 CB HIS A 93 -5.697 -10.055 2.079 1.00 23.10 C ATOM 650 CG HIS A 93 -6.249 -8.664 2.427 1.00 61.12 C ATOM 651 ND1 HIS A 93 -7.577 -8.349 2.325 1.00 4.30 N ATOM 652 CD2 HIS A 93 -5.631 -7.519 2.874 1.00 40.20 C ATOM 653 CE1 HIS A 93 -7.753 -7.096 2.692 1.00 64.40 C ATOM 654 NE2 HIS A 93 -6.599 -6.503 3.040 1.00 51.11 N ATOM 0 H HIS A 93 -6.397 -10.158 4.937 1.00 0.34 H new ATOM 0 HA HIS A 93 -5.886 -12.081 2.805 1.00 22.54 H new ATOM 0 HB2 HIS A 93 -4.679 -9.936 1.709 1.00 23.10 H new ATOM 0 HB3 HIS A 93 -6.288 -10.462 1.258 1.00 23.10 H new ATOM 0 HD1 HIS A 93 -8.313 -8.983 2.014 1.00 4.30 H new ATOM 0 HD2 HIS A 93 -4.574 -7.413 3.067 1.00 40.20 H new ATOM 0 HE1 HIS A 93 -8.714 -6.603 2.711 1.00 64.40 H new ATOM 755 N SER A 100 4.127 -10.041 -8.421 1.00 63.22 N ATOM 756 CA SER A 100 5.030 -9.105 -7.823 1.00 13.44 C ATOM 757 C SER A 100 4.431 -7.693 -7.933 1.00 1.53 C ATOM 758 O SER A 100 3.746 -7.357 -8.913 1.00 10.54 O ATOM 759 CB SER A 100 6.409 -9.187 -8.478 1.00 41.11 C ATOM 760 OG SER A 100 6.935 -10.509 -8.377 1.00 60.42 O ATOM 0 HA SER A 100 5.166 -9.347 -6.769 1.00 13.44 H new ATOM 0 HB2 SER A 100 6.337 -8.897 -9.526 1.00 41.11 H new ATOM 0 HB3 SER A 100 7.088 -8.482 -7.998 1.00 41.11 H new ATOM 0 HG SER A 100 7.026 -10.754 -7.432 1.00 60.42 H new ATOM 766 N SER A 101 4.668 -6.912 -6.913 1.00 73.01 N ATOM 767 CA SER A 101 4.076 -5.645 -6.672 1.00 34.25 C ATOM 768 C SER A 101 5.032 -4.859 -5.810 1.00 11.12 C ATOM 769 O SER A 101 6.083 -5.390 -5.448 1.00 14.32 O ATOM 770 CB SER A 101 2.763 -5.869 -5.952 1.00 41.33 C ATOM 771 OG SER A 101 1.874 -6.596 -6.775 1.00 70.03 O ATOM 0 H SER A 101 5.330 -7.174 -6.182 1.00 73.01 H new ATOM 0 HA SER A 101 3.883 -5.098 -7.595 1.00 34.25 H new ATOM 0 HB2 SER A 101 2.937 -6.412 -5.023 1.00 41.33 H new ATOM 0 HB3 SER A 101 2.319 -4.911 -5.682 1.00 41.33 H new ATOM 0 HG SER A 101 1.806 -7.518 -6.449 1.00 70.03 H new ATOM 777 N TYR A 102 4.710 -3.628 -5.513 1.00 55.53 N ATOM 778 CA TYR A 102 5.585 -2.780 -4.738 1.00 55.25 C ATOM 779 C TYR A 102 5.020 -2.478 -3.367 1.00 65.02 C ATOM 780 O TYR A 102 3.803 -2.300 -3.202 1.00 20.54 O ATOM 781 CB TYR A 102 5.841 -1.498 -5.469 1.00 63.31 C ATOM 782 CG TYR A 102 7.052 -1.451 -6.368 1.00 60.42 C ATOM 783 CD1 TYR A 102 7.253 -2.368 -7.393 1.00 70.45 C ATOM 784 CD2 TYR A 102 7.980 -0.439 -6.206 1.00 35.15 C ATOM 785 CE1 TYR A 102 8.355 -2.272 -8.228 1.00 61.23 C ATOM 786 CE2 TYR A 102 9.084 -0.341 -7.028 1.00 74.54 C ATOM 787 CZ TYR A 102 9.269 -1.254 -8.035 1.00 71.10 C ATOM 788 OH TYR A 102 10.367 -1.144 -8.865 1.00 5.23 O ATOM 0 H TYR A 102 3.838 -3.183 -5.799 1.00 55.53 H new ATOM 0 HA TYR A 102 6.521 -3.322 -4.601 1.00 55.25 H new ATOM 0 HB2 TYR A 102 4.962 -1.271 -6.073 1.00 63.31 H new ATOM 0 HB3 TYR A 102 5.936 -0.701 -4.732 1.00 63.31 H new ATOM 0 HD1 TYR A 102 6.541 -3.166 -7.541 1.00 70.45 H new ATOM 0 HD2 TYR A 102 7.838 0.289 -5.421 1.00 35.15 H new ATOM 0 HE1 TYR A 102 8.498 -2.988 -9.024 1.00 61.23 H new ATOM 0 HE2 TYR A 102 9.801 0.453 -6.879 1.00 74.54 H new ATOM 0 HH TYR A 102 10.908 -0.373 -8.592 1.00 5.23 H new ATOM 798 N VAL A 103 5.902 -2.431 -2.395 1.00 41.24 N ATOM 799 CA VAL A 103 5.551 -2.160 -1.020 1.00 21.42 C ATOM 800 C VAL A 103 6.488 -1.092 -0.431 1.00 65.24 C ATOM 801 O VAL A 103 7.668 -1.048 -0.745 1.00 53.03 O ATOM 802 CB VAL A 103 5.655 -3.485 -0.183 1.00 12.42 C ATOM 803 CG1 VAL A 103 7.019 -4.016 -0.216 1.00 62.22 C ATOM 804 CG2 VAL A 103 5.245 -3.338 1.247 1.00 33.31 C ATOM 0 H VAL A 103 6.900 -2.583 -2.540 1.00 41.24 H new ATOM 0 HA VAL A 103 4.528 -1.785 -0.980 1.00 21.42 H new ATOM 0 HB VAL A 103 4.954 -4.171 -0.658 1.00 12.42 H new ATOM 0 HG11 VAL A 103 7.067 -4.934 0.370 1.00 62.22 H new ATOM 0 HG12 VAL A 103 7.302 -4.229 -1.247 1.00 62.22 H new ATOM 0 HG13 VAL A 103 7.706 -3.281 0.204 1.00 62.22 H new ATOM 0 HG21 VAL A 103 5.346 -4.297 1.755 1.00 33.31 H new ATOM 0 HG22 VAL A 103 5.883 -2.600 1.734 1.00 33.31 H new ATOM 0 HG23 VAL A 103 4.207 -3.009 1.296 1.00 33.31 H new ATOM 814 N CYS A 104 5.960 -0.223 0.381 1.00 1.04 N ATOM 815 CA CYS A 104 6.779 0.719 1.102 1.00 24.53 C ATOM 816 C CYS A 104 7.245 -0.023 2.291 1.00 2.02 C ATOM 817 O CYS A 104 6.460 -0.291 3.139 1.00 51.10 O ATOM 818 CB CYS A 104 5.933 1.946 1.529 1.00 3.03 C ATOM 819 SG CYS A 104 6.732 3.220 2.678 1.00 14.11 S ATOM 0 H CYS A 104 4.960 -0.144 0.564 1.00 1.04 H new ATOM 0 HA CYS A 104 7.606 1.097 0.501 1.00 24.53 H new ATOM 0 HB2 CYS A 104 5.617 2.465 0.624 1.00 3.03 H new ATOM 0 HB3 CYS A 104 5.031 1.576 2.016 1.00 3.03 H new ATOM 0 HG CYS A 104 6.318 3.027 3.895 1.00 14.11 H new ATOM 824 N VAL A 105 8.495 -0.433 2.307 1.00 1.01 N ATOM 825 CA VAL A 105 9.071 -1.195 3.424 1.00 2.43 C ATOM 826 C VAL A 105 8.920 -0.432 4.713 1.00 41.14 C ATOM 827 O VAL A 105 8.690 -1.008 5.765 1.00 14.13 O ATOM 828 CB VAL A 105 10.570 -1.444 3.236 1.00 72.10 C ATOM 829 CG1 VAL A 105 10.914 -2.841 3.530 1.00 51.25 C ATOM 830 CG2 VAL A 105 11.030 -1.086 1.871 1.00 33.41 C ATOM 0 H VAL A 105 9.153 -0.253 1.549 1.00 1.01 H new ATOM 0 HA VAL A 105 8.535 -2.144 3.453 1.00 2.43 H new ATOM 0 HB VAL A 105 11.086 -0.795 3.944 1.00 72.10 H new ATOM 0 HG11 VAL A 105 11.984 -2.990 3.388 1.00 51.25 H new ATOM 0 HG12 VAL A 105 10.649 -3.072 4.562 1.00 51.25 H new ATOM 0 HG13 VAL A 105 10.364 -3.500 2.858 1.00 51.25 H new ATOM 0 HG21 VAL A 105 12.099 -1.280 1.785 1.00 33.41 H new ATOM 0 HG22 VAL A 105 10.492 -1.686 1.137 1.00 33.41 H new ATOM 0 HG23 VAL A 105 10.837 -0.029 1.687 1.00 33.41 H new ATOM 840 N GLU A 106 8.992 0.873 4.589 1.00 75.23 N ATOM 841 CA GLU A 106 8.929 1.788 5.707 1.00 73.11 C ATOM 842 C GLU A 106 7.598 1.642 6.424 1.00 15.10 C ATOM 843 O GLU A 106 7.504 1.745 7.650 1.00 54.03 O ATOM 844 CB GLU A 106 9.057 3.227 5.199 1.00 31.10 C ATOM 845 CG GLU A 106 10.172 3.441 4.183 1.00 71.10 C ATOM 846 CD GLU A 106 11.558 3.236 4.737 1.00 14.44 C ATOM 847 OE1 GLU A 106 11.759 2.364 5.617 1.00 31.41 O ATOM 848 OE2 GLU A 106 12.467 3.916 4.263 1.00 13.43 O ATOM 0 H GLU A 106 9.098 1.339 3.688 1.00 75.23 H new ATOM 0 HA GLU A 106 9.743 1.559 6.395 1.00 73.11 H new ATOM 0 HB2 GLU A 106 8.110 3.526 4.749 1.00 31.10 H new ATOM 0 HB3 GLU A 106 9.227 3.886 6.051 1.00 31.10 H new ATOM 0 HG2 GLU A 106 10.022 2.758 3.346 1.00 71.10 H new ATOM 0 HG3 GLU A 106 10.097 4.453 3.786 1.00 71.10 H new ATOM 855 N CYS A 107 6.574 1.437 5.639 1.00 33.34 N ATOM 856 CA CYS A 107 5.218 1.279 6.178 1.00 41.22 C ATOM 857 C CYS A 107 4.754 -0.184 6.125 1.00 53.22 C ATOM 858 O CYS A 107 3.747 -0.536 6.708 1.00 34.13 O ATOM 859 CB CYS A 107 4.281 2.124 5.350 1.00 53.22 C ATOM 860 SG CYS A 107 4.929 3.809 5.024 1.00 2.35 S ATOM 0 H CYS A 107 6.636 1.373 4.623 1.00 33.34 H new ATOM 0 HA CYS A 107 5.217 1.592 7.222 1.00 41.22 H new ATOM 0 HB2 CYS A 107 4.093 1.623 4.400 1.00 53.22 H new ATOM 0 HB3 CYS A 107 3.323 2.203 5.864 1.00 53.22 H new ATOM 0 HG CYS A 107 5.316 3.893 3.786 1.00 2.35 H new ATOM 865 N ASN A 108 5.515 -0.999 5.411 1.00 73.22 N ATOM 866 CA ASN A 108 5.169 -2.383 5.094 1.00 71.20 C ATOM 867 C ASN A 108 3.770 -2.493 4.472 1.00 23.11 C ATOM 868 O ASN A 108 2.969 -3.351 4.852 1.00 72.24 O ATOM 869 CB ASN A 108 5.337 -3.308 6.292 1.00 64.22 C ATOM 870 CG ASN A 108 6.760 -3.746 6.571 1.00 3.03 C ATOM 871 OD1 ASN A 108 7.126 -4.000 7.721 1.00 21.10 O ATOM 872 ND2 ASN A 108 7.565 -3.892 5.547 1.00 2.24 N ATOM 0 H ASN A 108 6.414 -0.712 5.024 1.00 73.22 H new ATOM 0 HA ASN A 108 5.880 -2.721 4.340 1.00 71.20 H new ATOM 0 HB2 ASN A 108 4.948 -2.805 7.177 1.00 64.22 H new ATOM 0 HB3 ASN A 108 4.724 -4.196 6.135 1.00 64.22 H new ATOM 0 HD21 ASN A 108 8.519 -4.223 5.691 1.00 2.24 H new ATOM 0 HD22 ASN A 108 7.237 -3.675 4.606 1.00 2.24 H new ATOM 879 N PHE A 109 3.532 -1.700 3.433 1.00 45.34 N ATOM 880 CA PHE A 109 2.218 -1.644 2.810 1.00 42.54 C ATOM 881 C PHE A 109 2.356 -1.894 1.320 1.00 20.33 C ATOM 882 O PHE A 109 3.136 -1.212 0.631 1.00 63.31 O ATOM 883 CB PHE A 109 1.467 -0.298 3.111 1.00 40.21 C ATOM 884 CG PHE A 109 1.445 0.756 2.000 1.00 14.42 C ATOM 885 CD1 PHE A 109 0.453 0.728 1.036 1.00 21.23 C ATOM 886 CD2 PHE A 109 2.389 1.756 1.932 1.00 72.32 C ATOM 887 CE1 PHE A 109 0.407 1.677 0.024 1.00 54.42 C ATOM 888 CE2 PHE A 109 2.347 2.709 0.913 1.00 72.04 C ATOM 889 CZ PHE A 109 1.354 2.668 -0.039 1.00 71.52 C ATOM 0 H PHE A 109 4.230 -1.090 3.007 1.00 45.34 H new ATOM 0 HA PHE A 109 1.599 -2.429 3.245 1.00 42.54 H new ATOM 0 HB2 PHE A 109 0.436 -0.537 3.370 1.00 40.21 H new ATOM 0 HB3 PHE A 109 1.921 0.152 3.994 1.00 40.21 H new ATOM 0 HD1 PHE A 109 -0.299 -0.046 1.071 1.00 21.23 H new ATOM 0 HD2 PHE A 109 3.171 1.804 2.676 1.00 72.32 H new ATOM 0 HE1 PHE A 109 -0.378 1.635 -0.717 1.00 54.42 H new ATOM 0 HE2 PHE A 109 3.099 3.483 0.871 1.00 72.04 H new ATOM 0 HZ PHE A 109 1.321 3.407 -0.826 1.00 71.52 H new ATOM 899 N LEU A 110 1.658 -2.884 0.854 1.00 23.43 N ATOM 900 CA LEU A 110 1.679 -3.290 -0.534 1.00 0.44 C ATOM 901 C LEU A 110 0.538 -2.664 -1.215 1.00 45.32 C ATOM 902 O LEU A 110 -0.543 -2.712 -0.692 1.00 32.15 O ATOM 903 CB LEU A 110 1.516 -4.791 -0.646 1.00 74.23 C ATOM 904 CG LEU A 110 2.764 -5.596 -0.842 1.00 63.43 C ATOM 905 CD1 LEU A 110 2.430 -7.045 -0.656 1.00 61.13 C ATOM 906 CD2 LEU A 110 3.296 -5.368 -2.259 1.00 63.13 C ATOM 0 H LEU A 110 1.041 -3.451 1.435 1.00 23.43 H new ATOM 0 HA LEU A 110 2.628 -2.990 -0.979 1.00 0.44 H new ATOM 0 HB2 LEU A 110 1.021 -5.147 0.258 1.00 74.23 H new ATOM 0 HB3 LEU A 110 0.845 -4.998 -1.479 1.00 74.23 H new ATOM 0 HG LEU A 110 3.525 -5.295 -0.122 1.00 63.43 H new ATOM 0 HD11 LEU A 110 3.328 -7.646 -0.795 1.00 61.13 H new ATOM 0 HD12 LEU A 110 2.040 -7.202 0.350 1.00 61.13 H new ATOM 0 HD13 LEU A 110 1.678 -7.342 -1.387 1.00 61.13 H new ATOM 0 HD21 LEU A 110 4.204 -5.952 -2.405 1.00 63.13 H new ATOM 0 HD22 LEU A 110 2.544 -5.679 -2.984 1.00 63.13 H new ATOM 0 HD23 LEU A 110 3.519 -4.310 -2.398 1.00 63.13 H new ATOM 918 N THR A 111 0.750 -2.135 -2.376 1.00 43.12 N ATOM 919 CA THR A 111 -0.299 -1.447 -3.077 1.00 3.41 C ATOM 920 C THR A 111 -0.508 -2.004 -4.479 1.00 63.35 C ATOM 921 O THR A 111 0.328 -2.754 -5.004 1.00 60.22 O ATOM 922 CB THR A 111 -0.044 0.087 -3.064 1.00 31.11 C ATOM 923 OG1 THR A 111 -0.882 0.814 -4.007 1.00 1.40 O ATOM 924 CG2 THR A 111 1.428 0.394 -3.286 1.00 22.42 C ATOM 0 H THR A 111 1.644 -2.164 -2.866 1.00 43.12 H new ATOM 0 HA THR A 111 -1.237 -1.623 -2.551 1.00 3.41 H new ATOM 0 HB THR A 111 -0.327 0.440 -2.072 1.00 31.11 H new ATOM 0 HG1 THR A 111 -1.812 0.797 -3.699 1.00 1.40 H new ATOM 0 HG21 THR A 111 1.581 1.473 -3.273 1.00 22.42 H new ATOM 0 HG22 THR A 111 2.019 -0.066 -2.494 1.00 22.42 H new ATOM 0 HG23 THR A 111 1.741 -0.005 -4.251 1.00 22.42 H new ATOM 932 N LYS A 112 -1.637 -1.641 -5.060 1.00 42.44 N ATOM 933 CA LYS A 112 -2.086 -2.101 -6.354 1.00 21.12 C ATOM 934 C LYS A 112 -1.292 -1.438 -7.501 1.00 15.51 C ATOM 935 O LYS A 112 -1.352 -1.880 -8.663 1.00 73.41 O ATOM 936 CB LYS A 112 -3.596 -1.807 -6.462 1.00 11.13 C ATOM 937 CG LYS A 112 -4.270 -2.266 -7.748 1.00 64.13 C ATOM 938 CD LYS A 112 -5.764 -1.961 -7.739 1.00 23.53 C ATOM 939 CE LYS A 112 -6.517 -2.778 -6.687 1.00 41.41 C ATOM 940 NZ LYS A 112 -6.420 -4.241 -6.933 1.00 23.20 N ATOM 0 H LYS A 112 -2.290 -0.991 -4.622 1.00 42.44 H new ATOM 0 HA LYS A 112 -1.910 -3.172 -6.449 1.00 21.12 H new ATOM 0 HB2 LYS A 112 -4.100 -2.281 -5.620 1.00 11.13 H new ATOM 0 HB3 LYS A 112 -3.746 -0.732 -6.359 1.00 11.13 H new ATOM 0 HG2 LYS A 112 -3.803 -1.773 -8.600 1.00 64.13 H new ATOM 0 HG3 LYS A 112 -4.118 -3.338 -7.877 1.00 64.13 H new ATOM 0 HD2 LYS A 112 -5.915 -0.899 -7.547 1.00 23.53 H new ATOM 0 HD3 LYS A 112 -6.181 -2.169 -8.724 1.00 23.53 H new ATOM 0 HE2 LYS A 112 -6.117 -2.551 -5.699 1.00 41.41 H new ATOM 0 HE3 LYS A 112 -7.566 -2.481 -6.682 1.00 41.41 H new ATOM 0 HZ1 LYS A 112 -7.102 -4.741 -6.327 1.00 23.20 H new ATOM 0 HZ2 LYS A 112 -6.633 -4.440 -7.931 1.00 23.20 H new ATOM 0 HZ3 LYS A 112 -5.457 -4.567 -6.713 1.00 23.20 H new ATOM 954 N ARG A 113 -0.550 -0.405 -7.187 1.00 61.22 N ATOM 955 CA ARG A 113 0.249 0.276 -8.184 1.00 13.20 C ATOM 956 C ARG A 113 1.595 0.606 -7.621 1.00 44.55 C ATOM 957 O ARG A 113 1.730 0.817 -6.432 1.00 22.12 O ATOM 958 CB ARG A 113 -0.408 1.563 -8.714 1.00 43.23 C ATOM 959 CG ARG A 113 -0.687 2.648 -7.672 1.00 33.03 C ATOM 960 CD ARG A 113 -1.956 2.380 -6.922 1.00 13.12 C ATOM 961 NE ARG A 113 -3.091 2.367 -7.859 1.00 71.20 N ATOM 962 CZ ARG A 113 -4.367 2.183 -7.539 1.00 54.13 C ATOM 963 NH1 ARG A 113 -4.717 1.878 -6.321 1.00 33.30 N ATOM 964 NH2 ARG A 113 -5.288 2.305 -8.468 1.00 74.13 N ATOM 0 H ARG A 113 -0.480 -0.014 -6.247 1.00 61.22 H new ATOM 0 HA ARG A 113 0.341 -0.410 -9.026 1.00 13.20 H new ATOM 0 HB2 ARG A 113 0.235 1.985 -9.486 1.00 43.23 H new ATOM 0 HB3 ARG A 113 -1.350 1.296 -9.194 1.00 43.23 H new ATOM 0 HG2 ARG A 113 0.146 2.703 -6.971 1.00 33.03 H new ATOM 0 HG3 ARG A 113 -0.753 3.618 -8.165 1.00 33.03 H new ATOM 0 HD2 ARG A 113 -1.889 1.424 -6.404 1.00 13.12 H new ATOM 0 HD3 ARG A 113 -2.109 3.145 -6.161 1.00 13.12 H new ATOM 0 HE ARG A 113 -2.878 2.513 -8.846 1.00 71.20 H new ATOM 0 HH11 ARG A 113 -4.006 1.777 -5.596 1.00 33.30 H new ATOM 0 HH12 ARG A 113 -5.702 1.740 -6.093 1.00 33.30 H new ATOM 0 HH21 ARG A 113 -5.020 2.539 -9.424 1.00 74.13 H new ATOM 0 HH22 ARG A 113 -6.271 2.166 -8.233 1.00 74.13 H new ATOM 978 N TYR A 114 2.580 0.687 -8.464 1.00 15.22 N ATOM 979 CA TYR A 114 3.909 1.003 -8.015 1.00 71.41 C ATOM 980 C TYR A 114 4.117 2.501 -7.871 1.00 63.31 C ATOM 981 O TYR A 114 5.069 2.951 -7.226 1.00 40.51 O ATOM 982 CB TYR A 114 5.006 0.300 -8.848 1.00 34.13 C ATOM 983 CG TYR A 114 4.753 0.253 -10.334 1.00 2.10 C ATOM 984 CD1 TYR A 114 3.995 -0.773 -10.880 1.00 64.02 C ATOM 985 CD2 TYR A 114 5.261 1.218 -11.190 1.00 62.30 C ATOM 986 CE1 TYR A 114 3.751 -0.840 -12.222 1.00 73.40 C ATOM 987 CE2 TYR A 114 5.015 1.155 -12.548 1.00 42.05 C ATOM 988 CZ TYR A 114 4.256 0.121 -13.054 1.00 20.13 C ATOM 989 OH TYR A 114 3.996 0.051 -14.400 1.00 20.21 O ATOM 0 H TYR A 114 2.492 0.539 -9.469 1.00 15.22 H new ATOM 0 HA TYR A 114 4.012 0.589 -7.012 1.00 71.41 H new ATOM 0 HB2 TYR A 114 5.954 0.808 -8.673 1.00 34.13 H new ATOM 0 HB3 TYR A 114 5.119 -0.721 -8.482 1.00 34.13 H new ATOM 0 HD1 TYR A 114 3.590 -1.534 -10.230 1.00 64.02 H new ATOM 0 HD2 TYR A 114 5.855 2.027 -10.791 1.00 62.30 H new ATOM 0 HE1 TYR A 114 3.161 -1.650 -12.625 1.00 73.40 H new ATOM 0 HE2 TYR A 114 5.414 1.910 -13.209 1.00 42.05 H new ATOM 0 HH TYR A 114 4.423 0.806 -14.855 1.00 20.21 H new ATOM 999 N ASP A 115 3.199 3.269 -8.418 1.00 1.05 N ATOM 1000 CA ASP A 115 3.251 4.720 -8.297 1.00 31.21 C ATOM 1001 C ASP A 115 2.933 5.198 -6.903 1.00 3.40 C ATOM 1002 O ASP A 115 3.516 6.159 -6.462 1.00 44.31 O ATOM 1003 CB ASP A 115 2.422 5.465 -9.353 1.00 1.44 C ATOM 1004 CG ASP A 115 0.950 5.121 -9.410 1.00 10.32 C ATOM 1005 OD1 ASP A 115 0.168 5.696 -8.663 1.00 11.24 O ATOM 1006 OD2 ASP A 115 0.552 4.273 -10.239 1.00 55.53 O ATOM 0 H ASP A 115 2.405 2.917 -8.953 1.00 1.05 H new ATOM 0 HA ASP A 115 4.291 4.976 -8.500 1.00 31.21 H new ATOM 0 HB2 ASP A 115 2.517 6.535 -9.171 1.00 1.44 H new ATOM 0 HB3 ASP A 115 2.858 5.268 -10.332 1.00 1.44 H new ATOM 1011 N ALA A 116 2.078 4.479 -6.183 1.00 44.31 N ATOM 1012 CA ALA A 116 1.724 4.817 -4.782 1.00 52.44 C ATOM 1013 C ALA A 116 2.972 4.903 -3.884 1.00 72.02 C ATOM 1014 O ALA A 116 2.993 5.619 -2.887 1.00 50.25 O ATOM 1015 CB ALA A 116 0.773 3.771 -4.251 1.00 73.33 C ATOM 0 H ALA A 116 1.606 3.648 -6.539 1.00 44.31 H new ATOM 0 HA ALA A 116 1.248 5.798 -4.771 1.00 52.44 H new ATOM 0 HB1 ALA A 116 0.507 4.010 -3.222 1.00 73.33 H new ATOM 0 HB2 ALA A 116 -0.128 3.754 -4.864 1.00 73.33 H new ATOM 0 HB3 ALA A 116 1.253 2.793 -4.283 1.00 73.33 H new ATOM 1021 N LEU A 117 3.998 4.186 -4.267 1.00 54.20 N ATOM 1022 CA LEU A 117 5.259 4.169 -3.537 1.00 53.12 C ATOM 1023 C LEU A 117 6.111 5.339 -3.928 1.00 31.55 C ATOM 1024 O LEU A 117 6.913 5.821 -3.154 1.00 13.20 O ATOM 1025 CB LEU A 117 6.047 2.888 -3.780 1.00 43.23 C ATOM 1026 CG LEU A 117 5.347 1.590 -3.463 1.00 25.52 C ATOM 1027 CD1 LEU A 117 4.639 1.655 -2.129 1.00 75.35 C ATOM 1028 CD2 LEU A 117 4.405 1.217 -4.556 1.00 14.11 C ATOM 0 H LEU A 117 3.991 3.592 -5.096 1.00 54.20 H new ATOM 0 HA LEU A 117 5.006 4.225 -2.478 1.00 53.12 H new ATOM 0 HB2 LEU A 117 6.346 2.866 -4.828 1.00 43.23 H new ATOM 0 HB3 LEU A 117 6.962 2.934 -3.189 1.00 43.23 H new ATOM 0 HG LEU A 117 6.106 0.811 -3.390 1.00 25.52 H new ATOM 0 HD11 LEU A 117 4.145 0.703 -1.932 1.00 75.35 H new ATOM 0 HD12 LEU A 117 5.365 1.857 -1.341 1.00 75.35 H new ATOM 0 HD13 LEU A 117 3.895 2.452 -2.150 1.00 75.35 H new ATOM 0 HD21 LEU A 117 3.911 0.278 -4.306 1.00 14.11 H new ATOM 0 HD22 LEU A 117 3.656 2.000 -4.674 1.00 14.11 H new ATOM 0 HD23 LEU A 117 4.957 1.100 -5.488 1.00 14.11 H new ATOM 1040 N SER A 118 5.936 5.776 -5.135 1.00 21.33 N ATOM 1041 CA SER A 118 6.697 6.877 -5.670 1.00 73.10 C ATOM 1042 C SER A 118 6.160 8.152 -5.041 1.00 1.52 C ATOM 1043 O SER A 118 6.905 8.940 -4.477 1.00 53.21 O ATOM 1044 CB SER A 118 6.529 6.908 -7.198 1.00 21.15 C ATOM 1045 OG SER A 118 7.551 7.667 -7.842 1.00 32.12 O ATOM 0 H SER A 118 5.258 5.381 -5.787 1.00 21.33 H new ATOM 0 HA SER A 118 7.759 6.775 -5.446 1.00 73.10 H new ATOM 0 HB2 SER A 118 6.540 5.888 -7.583 1.00 21.15 H new ATOM 0 HB3 SER A 118 5.555 7.331 -7.445 1.00 21.15 H new ATOM 0 HG SER A 118 7.404 7.657 -8.811 1.00 32.12 H new ATOM 1051 N GLU A 119 4.845 8.293 -5.079 1.00 44.11 N ATOM 1052 CA GLU A 119 4.157 9.454 -4.508 1.00 54.30 C ATOM 1053 C GLU A 119 4.276 9.438 -3.005 1.00 25.54 C ATOM 1054 O GLU A 119 4.024 10.418 -2.350 1.00 24.02 O ATOM 1055 CB GLU A 119 2.686 9.468 -4.848 1.00 24.05 C ATOM 1056 CG GLU A 119 2.361 8.847 -6.163 1.00 34.33 C ATOM 1057 CD GLU A 119 0.952 9.105 -6.586 1.00 63.33 C ATOM 1058 OE1 GLU A 119 0.023 8.523 -5.997 1.00 41.01 O ATOM 1059 OE2 GLU A 119 0.733 9.897 -7.503 1.00 23.34 O ATOM 0 H GLU A 119 4.219 7.610 -5.505 1.00 44.11 H new ATOM 0 HA GLU A 119 4.631 10.338 -4.934 1.00 54.30 H new ATOM 0 HB2 GLU A 119 2.138 8.944 -4.065 1.00 24.05 H new ATOM 0 HB3 GLU A 119 2.334 10.499 -4.848 1.00 24.05 H new ATOM 0 HG2 GLU A 119 3.041 9.234 -6.922 1.00 34.33 H new ATOM 0 HG3 GLU A 119 2.528 7.771 -6.104 1.00 34.33 H new ATOM 1066 N HIS A 120 4.562 8.288 -2.476 1.00 11.23 N ATOM 1067 CA HIS A 120 4.673 8.076 -1.047 1.00 32.12 C ATOM 1068 C HIS A 120 5.555 9.133 -0.375 1.00 41.23 C ATOM 1069 O HIS A 120 5.125 9.775 0.503 1.00 12.40 O ATOM 1070 CB HIS A 120 5.211 6.713 -0.777 1.00 60.34 C ATOM 1071 CG HIS A 120 4.906 6.203 0.559 1.00 5.43 C ATOM 1072 ND1 HIS A 120 3.680 5.710 0.928 1.00 54.12 N ATOM 1073 CD2 HIS A 120 5.683 6.111 1.619 1.00 63.20 C ATOM 1074 CE1 HIS A 120 3.744 5.337 2.192 1.00 41.42 C ATOM 1075 NE2 HIS A 120 4.966 5.555 2.680 1.00 5.42 N ATOM 0 H HIS A 120 4.730 7.447 -3.028 1.00 11.23 H new ATOM 0 HA HIS A 120 3.674 8.167 -0.621 1.00 32.12 H new ATOM 0 HB2 HIS A 120 4.809 6.022 -1.518 1.00 60.34 H new ATOM 0 HB3 HIS A 120 6.293 6.729 -0.910 1.00 60.34 H new ATOM 0 HD2 HIS A 120 6.717 6.419 1.661 1.00 63.20 H new ATOM 0 HE1 HIS A 120 2.923 4.915 2.752 1.00 41.42 H new ATOM 0 HE2 HIS A 120 5.303 5.358 3.622 1.00 5.42 H new ATOM 1083 N ASN A 121 6.761 9.317 -0.827 1.00 55.05 N ATOM 1084 CA ASN A 121 7.658 10.368 -0.277 1.00 11.53 C ATOM 1085 C ASN A 121 7.179 11.782 -0.619 1.00 51.45 C ATOM 1086 O ASN A 121 7.679 12.775 -0.119 1.00 14.24 O ATOM 1087 CB ASN A 121 9.142 10.179 -0.599 1.00 12.10 C ATOM 1088 CG ASN A 121 9.492 10.128 -2.056 1.00 21.20 C ATOM 1089 OD1 ASN A 121 8.750 10.566 -2.913 1.00 73.15 O ATOM 1090 ND2 ASN A 121 10.688 9.717 -2.323 1.00 50.01 N ATOM 0 H ASN A 121 7.175 8.765 -1.578 1.00 55.05 H new ATOM 0 HA ASN A 121 7.586 10.243 0.803 1.00 11.53 H new ATOM 0 HB2 ASN A 121 9.701 10.994 -0.139 1.00 12.10 H new ATOM 0 HB3 ASN A 121 9.481 9.255 -0.131 1.00 12.10 H new ATOM 0 HD21 ASN A 121 11.038 9.754 -3.280 1.00 50.01 H new ATOM 0 HD22 ASN A 121 11.282 9.356 -1.576 1.00 50.01 H new ATOM 1097 N LEU A 122 6.318 11.851 -1.555 1.00 75.04 N ATOM 1098 CA LEU A 122 5.728 13.086 -1.965 1.00 12.42 C ATOM 1099 C LEU A 122 4.637 13.508 -0.956 1.00 21.03 C ATOM 1100 O LEU A 122 4.642 14.625 -0.459 1.00 21.11 O ATOM 1101 CB LEU A 122 5.186 12.920 -3.411 1.00 73.00 C ATOM 1102 CG LEU A 122 4.013 13.791 -3.849 1.00 22.12 C ATOM 1103 CD1 LEU A 122 4.359 15.276 -3.782 1.00 43.41 C ATOM 1104 CD2 LEU A 122 3.585 13.416 -5.258 1.00 52.21 C ATOM 0 H LEU A 122 5.988 11.040 -2.077 1.00 75.04 H new ATOM 0 HA LEU A 122 6.466 13.888 -1.975 1.00 12.42 H new ATOM 0 HB2 LEU A 122 6.012 13.104 -4.098 1.00 73.00 H new ATOM 0 HB3 LEU A 122 4.892 11.878 -3.538 1.00 73.00 H new ATOM 0 HG LEU A 122 3.188 13.612 -3.160 1.00 22.12 H new ATOM 0 HD11 LEU A 122 3.499 15.865 -4.101 1.00 43.41 H new ATOM 0 HD12 LEU A 122 4.621 15.543 -2.758 1.00 43.41 H new ATOM 0 HD13 LEU A 122 5.204 15.483 -4.439 1.00 43.41 H new ATOM 0 HD21 LEU A 122 2.747 14.043 -5.563 1.00 52.21 H new ATOM 0 HD22 LEU A 122 4.419 13.566 -5.944 1.00 52.21 H new ATOM 0 HD23 LEU A 122 3.282 12.369 -5.280 1.00 52.21 H new ATOM 1116 N LYS A 123 3.732 12.607 -0.651 1.00 32.21 N ATOM 1117 CA LYS A 123 2.605 12.916 0.225 1.00 54.52 C ATOM 1118 C LYS A 123 2.705 12.312 1.622 1.00 22.11 C ATOM 1119 O LYS A 123 2.407 12.967 2.618 1.00 51.25 O ATOM 1120 CB LYS A 123 1.262 12.586 -0.459 1.00 53.01 C ATOM 1121 CG LYS A 123 1.327 11.537 -1.556 1.00 14.14 C ATOM 1122 CD LYS A 123 0.026 11.451 -2.351 1.00 53.43 C ATOM 1123 CE LYS A 123 -1.205 11.180 -1.478 1.00 31.23 C ATOM 1124 NZ LYS A 123 -2.450 11.103 -2.274 1.00 64.34 N ATOM 0 H LYS A 123 3.747 11.647 -0.994 1.00 32.21 H new ATOM 0 HA LYS A 123 2.649 13.992 0.392 1.00 54.52 H new ATOM 0 HB2 LYS A 123 0.560 12.247 0.303 1.00 53.01 H new ATOM 0 HB3 LYS A 123 0.854 13.504 -0.882 1.00 53.01 H new ATOM 0 HG2 LYS A 123 2.149 11.772 -2.232 1.00 14.14 H new ATOM 0 HG3 LYS A 123 1.545 10.565 -1.114 1.00 14.14 H new ATOM 0 HD2 LYS A 123 -0.121 12.384 -2.894 1.00 53.43 H new ATOM 0 HD3 LYS A 123 0.115 10.660 -3.095 1.00 53.43 H new ATOM 0 HE2 LYS A 123 -1.065 10.245 -0.935 1.00 31.23 H new ATOM 0 HE3 LYS A 123 -1.301 11.970 -0.733 1.00 31.23 H new ATOM 0 HZ1 LYS A 123 -3.179 10.599 -1.730 1.00 64.34 H new ATOM 0 HZ2 LYS A 123 -2.783 12.064 -2.491 1.00 64.34 H new ATOM 0 HZ3 LYS A 123 -2.264 10.592 -3.161 1.00 64.34 H new ATOM 1138 N TYR A 124 3.145 11.098 1.677 1.00 60.50 N ATOM 1139 CA TYR A 124 3.204 10.321 2.915 1.00 21.43 C ATOM 1140 C TYR A 124 4.476 10.582 3.682 1.00 0.11 C ATOM 1141 O TYR A 124 4.444 10.851 4.872 1.00 50.31 O ATOM 1142 CB TYR A 124 3.131 8.839 2.602 1.00 62.32 C ATOM 1143 CG TYR A 124 1.842 8.384 2.001 1.00 71.12 C ATOM 1144 CD1 TYR A 124 1.443 8.819 0.754 1.00 13.35 C ATOM 1145 CD2 TYR A 124 1.034 7.499 2.670 1.00 33.22 C ATOM 1146 CE1 TYR A 124 0.276 8.407 0.203 1.00 61.13 C ATOM 1147 CE2 TYR A 124 -0.137 7.075 2.121 1.00 30.41 C ATOM 1148 CZ TYR A 124 -0.515 7.530 0.889 1.00 11.45 C ATOM 1149 OH TYR A 124 -1.702 7.131 0.360 1.00 64.41 O ATOM 0 H TYR A 124 3.484 10.591 0.860 1.00 60.50 H new ATOM 0 HA TYR A 124 2.356 10.628 3.527 1.00 21.43 H new ATOM 0 HB2 TYR A 124 3.942 8.587 1.919 1.00 62.32 H new ATOM 0 HB3 TYR A 124 3.303 8.280 3.522 1.00 62.32 H new ATOM 0 HD1 TYR A 124 2.074 9.502 0.206 1.00 13.35 H new ATOM 0 HD2 TYR A 124 1.331 7.135 3.643 1.00 33.22 H new ATOM 0 HE1 TYR A 124 -0.026 8.768 -0.769 1.00 61.13 H new ATOM 0 HE2 TYR A 124 -0.766 6.380 2.658 1.00 30.41 H new ATOM 0 HH TYR A 124 -2.340 6.955 1.083 1.00 64.41 H new ATOM 1159 N HIS A 125 5.605 10.461 3.010 1.00 32.10 N ATOM 1160 CA HIS A 125 6.900 10.710 3.649 1.00 71.10 C ATOM 1161 C HIS A 125 7.617 11.883 2.960 1.00 45.12 C ATOM 1162 O HIS A 125 8.600 11.672 2.288 1.00 41.30 O ATOM 1163 CB HIS A 125 7.804 9.449 3.588 1.00 71.23 C ATOM 1164 CG HIS A 125 7.295 8.204 4.288 1.00 35.40 C ATOM 1165 ND1 HIS A 125 6.449 8.193 5.375 1.00 54.12 N ATOM 1166 CD2 HIS A 125 7.515 6.904 3.982 1.00 41.12 C ATOM 1167 CE1 HIS A 125 6.178 6.930 5.689 1.00 13.11 C ATOM 1168 NE2 HIS A 125 6.808 6.075 4.847 1.00 3.34 N ATOM 0 H HIS A 125 5.661 10.194 2.027 1.00 32.10 H new ATOM 0 HA HIS A 125 6.714 10.958 4.694 1.00 71.10 H new ATOM 0 HB2 HIS A 125 7.973 9.203 2.540 1.00 71.23 H new ATOM 0 HB3 HIS A 125 8.773 9.706 4.015 1.00 71.23 H new ATOM 0 HD2 HIS A 125 8.150 6.559 3.179 1.00 41.12 H new ATOM 0 HE1 HIS A 125 5.541 6.626 6.506 1.00 13.11 H new ATOM 0 HE2 HIS A 125 6.772 5.056 4.847 1.00 3.34 H new ATOM 1176 N PRO A 126 7.110 13.117 3.104 1.00 63.12 N ATOM 1177 CA PRO A 126 7.650 14.291 2.407 1.00 54.01 C ATOM 1178 C PRO A 126 8.967 14.806 2.968 1.00 75.42 C ATOM 1179 O PRO A 126 9.235 14.698 4.173 1.00 23.42 O ATOM 1180 CB PRO A 126 6.549 15.323 2.584 1.00 11.22 C ATOM 1181 CG PRO A 126 5.940 14.957 3.889 1.00 74.41 C ATOM 1182 CD PRO A 126 5.971 13.474 3.940 1.00 55.13 C ATOM 0 HA PRO A 126 7.895 14.056 1.371 1.00 54.01 H new ATOM 0 HB2 PRO A 126 6.948 16.337 2.597 1.00 11.22 H new ATOM 0 HB3 PRO A 126 5.821 15.277 1.774 1.00 11.22 H new ATOM 0 HG2 PRO A 126 6.500 15.390 4.718 1.00 74.41 H new ATOM 0 HG3 PRO A 126 4.919 15.331 3.964 1.00 74.41 H new ATOM 0 HD2 PRO A 126 6.096 13.112 4.961 1.00 55.13 H new ATOM 0 HD3 PRO A 126 5.045 13.042 3.560 1.00 55.13 H new ATOM 1190 N GLY A 127 9.777 15.356 2.085 1.00 65.41 N ATOM 1191 CA GLY A 127 11.040 15.928 2.469 1.00 52.34 C ATOM 1192 C GLY A 127 12.049 15.889 1.335 1.00 71.42 C ATOM 1193 O GLY A 127 12.727 16.882 1.054 1.00 14.12 O ATOM 0 H GLY A 127 9.574 15.416 1.087 1.00 65.41 H new ATOM 0 HA2 GLY A 127 10.890 16.960 2.785 1.00 52.34 H new ATOM 0 HA3 GLY A 127 11.438 15.386 3.327 1.00 52.34 H new ATOM 1197 N GLU A 128 12.123 14.767 0.664 1.00 21.54 N ATOM 1198 CA GLU A 128 13.070 14.551 -0.417 1.00 11.21 C ATOM 1199 C GLU A 128 12.556 13.455 -1.320 1.00 22.24 C ATOM 1200 O GLU A 128 11.485 12.883 -1.049 1.00 22.03 O ATOM 1201 CB GLU A 128 14.484 14.254 0.147 1.00 4.34 C ATOM 1202 CG GLU A 128 14.564 13.083 1.111 1.00 74.33 C ATOM 1203 CD GLU A 128 15.280 11.911 0.528 1.00 13.24 C ATOM 1204 OE1 GLU A 128 14.641 11.102 -0.138 1.00 4.30 O ATOM 1205 OE2 GLU A 128 16.526 11.808 0.693 1.00 2.11 O ATOM 0 H GLU A 128 11.523 13.964 0.850 1.00 21.54 H new ATOM 0 HA GLU A 128 13.165 15.456 -1.017 1.00 11.21 H new ATOM 0 HB2 GLU A 128 15.158 14.063 -0.688 1.00 4.34 H new ATOM 0 HB3 GLU A 128 14.850 15.147 0.654 1.00 4.34 H new ATOM 0 HG2 GLU A 128 15.073 13.400 2.021 1.00 74.33 H new ATOM 0 HG3 GLU A 128 13.556 12.783 1.398 1.00 74.33 H new ATOM 1212 N GLU A 129 13.239 13.193 -2.404 1.00 5.22 N ATOM 1213 CA GLU A 129 12.807 12.150 -3.295 1.00 71.10 C ATOM 1214 C GLU A 129 13.948 11.217 -3.596 1.00 73.14 C ATOM 1215 O GLU A 129 14.734 11.453 -4.526 1.00 52.21 O ATOM 1216 CB GLU A 129 12.283 12.748 -4.594 1.00 40.43 C ATOM 1217 CG GLU A 129 11.733 11.726 -5.572 1.00 13.32 C ATOM 1218 CD GLU A 129 11.289 12.339 -6.869 1.00 72.12 C ATOM 1219 OE1 GLU A 129 12.118 12.521 -7.772 1.00 42.14 O ATOM 1220 OE2 GLU A 129 10.092 12.653 -7.021 1.00 0.51 O ATOM 0 H GLU A 129 14.088 13.682 -2.689 1.00 5.22 H new ATOM 0 HA GLU A 129 12.006 11.592 -2.809 1.00 71.10 H new ATOM 0 HB2 GLU A 129 11.499 13.468 -4.359 1.00 40.43 H new ATOM 0 HB3 GLU A 129 13.089 13.300 -5.078 1.00 40.43 H new ATOM 0 HG2 GLU A 129 12.497 10.975 -5.773 1.00 13.32 H new ATOM 0 HG3 GLU A 129 10.891 11.208 -5.113 1.00 13.32 H new ATOM 1227 N ASN A 130 14.059 10.177 -2.799 1.00 53.15 N ATOM 1228 CA ASN A 130 15.093 9.163 -2.960 1.00 73.53 C ATOM 1229 C ASN A 130 14.592 7.862 -2.395 1.00 61.12 C ATOM 1230 O ASN A 130 14.675 7.611 -1.197 1.00 73.43 O ATOM 1231 CB ASN A 130 16.386 9.559 -2.210 1.00 61.23 C ATOM 1232 CG ASN A 130 17.015 10.832 -2.725 1.00 73.12 C ATOM 1233 OD1 ASN A 130 17.917 10.811 -3.564 1.00 32.54 O ATOM 1234 ND2 ASN A 130 16.515 11.952 -2.246 1.00 14.40 N ATOM 0 H ASN A 130 13.432 10.005 -2.013 1.00 53.15 H new ATOM 0 HA ASN A 130 15.319 9.068 -4.022 1.00 73.53 H new ATOM 0 HB2 ASN A 130 16.160 9.678 -1.150 1.00 61.23 H new ATOM 0 HB3 ASN A 130 17.108 8.747 -2.293 1.00 61.23 H new ATOM 0 HD21 ASN A 130 16.874 12.850 -2.569 1.00 14.40 H new ATOM 0 HD22 ASN A 130 15.768 11.921 -1.552 1.00 14.40 H new ATOM 1241 N PHE A 131 14.038 7.075 -3.233 1.00 52.50 N ATOM 1242 CA PHE A 131 13.552 5.780 -2.872 1.00 4.45 C ATOM 1243 C PHE A 131 14.423 4.734 -3.515 1.00 23.23 C ATOM 1244 O PHE A 131 14.902 4.914 -4.641 1.00 65.15 O ATOM 1245 CB PHE A 131 12.117 5.593 -3.329 1.00 2.43 C ATOM 1246 CG PHE A 131 11.062 5.614 -2.245 1.00 34.00 C ATOM 1247 CD1 PHE A 131 10.931 4.549 -1.380 1.00 61.45 C ATOM 1248 CD2 PHE A 131 10.168 6.656 -2.138 1.00 51.43 C ATOM 1249 CE1 PHE A 131 9.931 4.519 -0.434 1.00 42.41 C ATOM 1250 CE2 PHE A 131 9.152 6.629 -1.194 1.00 40.30 C ATOM 1251 CZ PHE A 131 9.035 5.557 -0.348 1.00 5.13 C ATOM 0 H PHE A 131 13.901 7.308 -4.216 1.00 52.50 H new ATOM 0 HA PHE A 131 13.582 5.683 -1.787 1.00 4.45 H new ATOM 0 HB2 PHE A 131 11.883 6.376 -4.050 1.00 2.43 H new ATOM 0 HB3 PHE A 131 12.047 4.642 -3.857 1.00 2.43 H new ATOM 0 HD1 PHE A 131 11.625 3.724 -1.445 1.00 61.45 H new ATOM 0 HD2 PHE A 131 10.259 7.506 -2.798 1.00 51.43 H new ATOM 0 HE1 PHE A 131 9.851 3.679 0.241 1.00 42.41 H new ATOM 0 HE2 PHE A 131 8.455 7.451 -1.126 1.00 40.30 H new ATOM 0 HZ PHE A 131 8.241 5.528 0.384 1.00 5.13 H new ATOM 1261 N LYS A 132 14.643 3.678 -2.815 1.00 71.21 N ATOM 1262 CA LYS A 132 15.452 2.602 -3.289 1.00 63.21 C ATOM 1263 C LYS A 132 14.544 1.389 -3.493 1.00 2.13 C ATOM 1264 O LYS A 132 13.447 1.348 -2.946 1.00 15.24 O ATOM 1265 CB LYS A 132 16.529 2.268 -2.246 1.00 52.14 C ATOM 1266 CG LYS A 132 16.120 1.175 -1.279 1.00 42.44 C ATOM 1267 CD LYS A 132 17.220 0.787 -0.348 1.00 63.21 C ATOM 1268 CE LYS A 132 16.905 -0.559 0.252 1.00 51.54 C ATOM 1269 NZ LYS A 132 17.938 -1.028 1.187 1.00 73.22 N ATOM 0 H LYS A 132 14.261 3.531 -1.881 1.00 71.21 H new ATOM 0 HA LYS A 132 15.941 2.876 -4.224 1.00 63.21 H new ATOM 0 HB2 LYS A 132 17.440 1.963 -2.761 1.00 52.14 H new ATOM 0 HB3 LYS A 132 16.768 3.169 -1.682 1.00 52.14 H new ATOM 0 HG2 LYS A 132 15.261 1.512 -0.699 1.00 42.44 H new ATOM 0 HG3 LYS A 132 15.800 0.298 -1.842 1.00 42.44 H new ATOM 0 HD2 LYS A 132 18.169 0.748 -0.883 1.00 63.21 H new ATOM 0 HD3 LYS A 132 17.328 1.534 0.439 1.00 63.21 H new ATOM 0 HE2 LYS A 132 15.949 -0.503 0.773 1.00 51.54 H new ATOM 0 HE3 LYS A 132 16.789 -1.289 -0.549 1.00 51.54 H new ATOM 0 HZ1 LYS A 132 17.666 -1.957 1.567 1.00 73.22 H new ATOM 0 HZ2 LYS A 132 18.847 -1.110 0.688 1.00 73.22 H new ATOM 0 HZ3 LYS A 132 18.033 -0.349 1.969 1.00 73.22 H new ATOM 1283 N LEU A 133 15.012 0.404 -4.199 1.00 44.12 N ATOM 1284 CA LEU A 133 14.236 -0.786 -4.431 1.00 32.12 C ATOM 1285 C LEU A 133 15.010 -1.986 -3.952 1.00 74.22 C ATOM 1286 O LEU A 133 16.211 -2.096 -4.188 1.00 63.10 O ATOM 1287 CB LEU A 133 13.802 -0.971 -5.913 1.00 5.22 C ATOM 1288 CG LEU A 133 14.912 -1.035 -6.981 1.00 22.23 C ATOM 1289 CD1 LEU A 133 14.386 -1.717 -8.236 1.00 25.25 C ATOM 1290 CD2 LEU A 133 15.382 0.367 -7.346 1.00 65.34 C ATOM 0 H LEU A 133 15.936 0.398 -4.630 1.00 44.12 H new ATOM 0 HA LEU A 133 13.311 -0.680 -3.865 1.00 32.12 H new ATOM 0 HB2 LEU A 133 13.219 -1.889 -5.980 1.00 5.22 H new ATOM 0 HB3 LEU A 133 13.134 -0.150 -6.172 1.00 5.22 H new ATOM 0 HG LEU A 133 15.748 -1.602 -6.571 1.00 22.23 H new ATOM 0 HD11 LEU A 133 15.176 -1.758 -8.986 1.00 25.25 H new ATOM 0 HD12 LEU A 133 14.064 -2.729 -7.992 1.00 25.25 H new ATOM 0 HD13 LEU A 133 13.541 -1.152 -8.630 1.00 25.25 H new ATOM 0 HD21 LEU A 133 16.166 0.303 -8.101 1.00 65.34 H new ATOM 0 HD22 LEU A 133 14.543 0.941 -7.741 1.00 65.34 H new ATOM 0 HD23 LEU A 133 15.774 0.862 -6.458 1.00 65.34 H new ATOM 1302 N THR A 134 14.343 -2.835 -3.249 1.00 65.42 N ATOM 1303 CA THR A 134 14.909 -4.029 -2.719 1.00 43.42 C ATOM 1304 C THR A 134 13.827 -5.093 -2.774 1.00 23.25 C ATOM 1305 O THR A 134 12.776 -4.929 -2.181 1.00 51.12 O ATOM 1306 CB THR A 134 15.420 -3.774 -1.247 1.00 4.13 C ATOM 1307 OG1 THR A 134 15.892 -4.968 -0.627 1.00 63.40 O ATOM 1308 CG2 THR A 134 14.356 -3.115 -0.363 1.00 44.40 C ATOM 0 H THR A 134 13.357 -2.714 -3.019 1.00 65.42 H new ATOM 0 HA THR A 134 15.774 -4.358 -3.295 1.00 43.42 H new ATOM 0 HB THR A 134 16.256 -3.082 -1.344 1.00 4.13 H new ATOM 0 HG1 THR A 134 16.200 -4.765 0.281 1.00 63.40 H new ATOM 0 HG21 THR A 134 14.759 -2.962 0.638 1.00 44.40 H new ATOM 0 HG22 THR A 134 14.072 -2.154 -0.791 1.00 44.40 H new ATOM 0 HG23 THR A 134 13.479 -3.760 -0.307 1.00 44.40 H new ATOM 1316 N MET A 135 14.006 -6.149 -3.524 1.00 21.14 N ATOM 1317 CA MET A 135 12.915 -7.081 -3.567 1.00 61.23 C ATOM 1318 C MET A 135 13.190 -8.171 -2.609 1.00 3.33 C ATOM 1319 O MET A 135 14.013 -9.039 -2.860 1.00 61.50 O ATOM 1320 CB MET A 135 12.781 -7.652 -4.979 1.00 23.14 C ATOM 1321 CG MET A 135 11.666 -8.674 -5.167 1.00 73.55 C ATOM 1322 SD MET A 135 11.582 -9.278 -6.869 1.00 5.13 S ATOM 1323 CE MET A 135 10.192 -10.402 -6.769 1.00 4.30 C ATOM 0 H MET A 135 14.833 -6.375 -4.076 1.00 21.14 H new ATOM 0 HA MET A 135 11.984 -6.580 -3.301 1.00 61.23 H new ATOM 0 HB2 MET A 135 12.616 -6.827 -5.672 1.00 23.14 H new ATOM 0 HB3 MET A 135 13.727 -8.116 -5.256 1.00 23.14 H new ATOM 0 HG2 MET A 135 11.827 -9.514 -4.491 1.00 73.55 H new ATOM 0 HG3 MET A 135 10.712 -8.224 -4.894 1.00 73.55 H new ATOM 0 HE1 MET A 135 10.508 -11.400 -7.073 1.00 4.30 H new ATOM 0 HE2 MET A 135 9.823 -10.434 -5.744 1.00 4.30 H new ATOM 0 HE3 MET A 135 9.397 -10.057 -7.430 1.00 4.30 H new ATOM 1333 N VAL A 136 12.496 -8.118 -1.519 1.00 1.40 N ATOM 1334 CA VAL A 136 12.540 -9.110 -0.501 1.00 64.13 C ATOM 1335 C VAL A 136 11.200 -9.171 0.184 1.00 72.45 C ATOM 1336 O VAL A 136 10.856 -8.266 0.868 1.00 43.53 O ATOM 1337 CB VAL A 136 13.692 -8.830 0.548 1.00 13.12 C ATOM 1338 CG1 VAL A 136 15.032 -9.324 0.024 1.00 64.21 C ATOM 1339 CG2 VAL A 136 13.807 -7.328 0.839 1.00 3.14 C ATOM 0 H VAL A 136 11.858 -7.351 -1.308 1.00 1.40 H new ATOM 0 HA VAL A 136 12.762 -10.071 -0.964 1.00 64.13 H new ATOM 0 HB VAL A 136 13.437 -9.364 1.463 1.00 13.12 H new ATOM 0 HG11 VAL A 136 15.808 -9.121 0.762 1.00 64.21 H new ATOM 0 HG12 VAL A 136 14.978 -10.397 -0.160 1.00 64.21 H new ATOM 0 HG13 VAL A 136 15.271 -8.808 -0.906 1.00 64.21 H new ATOM 0 HG21 VAL A 136 14.604 -7.158 1.562 1.00 3.14 H new ATOM 0 HG22 VAL A 136 14.034 -6.795 -0.084 1.00 3.14 H new ATOM 0 HG23 VAL A 136 12.864 -6.963 1.246 1.00 3.14 H new ATOM 1349 N LYS A 137 10.434 -10.180 0.030 1.00 73.30 N ATOM 1350 CA LYS A 137 9.237 -10.219 0.829 1.00 74.33 C ATOM 1351 C LYS A 137 9.063 -11.595 1.343 1.00 44.34 C ATOM 1352 O LYS A 137 8.933 -12.550 0.576 1.00 54.43 O ATOM 1353 CB LYS A 137 8.019 -9.707 0.088 1.00 2.51 C ATOM 1354 CG LYS A 137 6.884 -9.210 0.974 1.00 70.22 C ATOM 1355 CD LYS A 137 7.331 -7.987 1.766 1.00 12.34 C ATOM 1356 CE LYS A 137 6.174 -7.132 2.304 1.00 31.20 C ATOM 1357 NZ LYS A 137 6.662 -6.257 3.365 1.00 50.24 N ATOM 0 H LYS A 137 10.586 -10.964 -0.605 1.00 73.30 H new ATOM 0 HA LYS A 137 9.346 -9.536 1.671 1.00 74.33 H new ATOM 0 HB2 LYS A 137 8.328 -8.894 -0.569 1.00 2.51 H new ATOM 0 HB3 LYS A 137 7.639 -10.505 -0.549 1.00 2.51 H new ATOM 0 HG2 LYS A 137 6.018 -8.959 0.361 1.00 70.22 H new ATOM 0 HG3 LYS A 137 6.573 -10.001 1.657 1.00 70.22 H new ATOM 0 HD2 LYS A 137 7.947 -8.315 2.604 1.00 12.34 H new ATOM 0 HD3 LYS A 137 7.962 -7.366 1.130 1.00 12.34 H new ATOM 0 HE2 LYS A 137 5.743 -6.538 1.498 1.00 31.20 H new ATOM 0 HE3 LYS A 137 5.381 -7.775 2.685 1.00 31.20 H new ATOM 0 HZ1 LYS A 137 5.856 -5.792 3.830 1.00 50.24 H new ATOM 0 HZ2 LYS A 137 7.188 -6.819 4.064 1.00 50.24 H new ATOM 0 HZ3 LYS A 137 7.290 -5.535 2.958 1.00 50.24 H new ATOM 1371 N ARG A 138 9.116 -11.714 2.619 1.00 12.04 N ATOM 1372 CA ARG A 138 9.115 -12.983 3.251 1.00 65.43 C ATOM 1373 C ARG A 138 7.882 -13.065 4.099 1.00 1.11 C ATOM 1374 O ARG A 138 7.378 -12.025 4.515 1.00 72.54 O ATOM 1375 CB ARG A 138 10.407 -13.181 4.080 1.00 13.34 C ATOM 1376 CG ARG A 138 11.729 -13.012 3.280 1.00 52.32 C ATOM 1377 CD ARG A 138 12.094 -11.529 3.002 1.00 64.42 C ATOM 1378 NE ARG A 138 12.377 -10.764 4.233 1.00 12.10 N ATOM 1379 CZ ARG A 138 12.224 -9.423 4.407 1.00 60.10 C ATOM 1380 NH1 ARG A 138 11.718 -8.651 3.451 1.00 52.14 N ATOM 1381 NH2 ARG A 138 12.581 -8.870 5.552 1.00 61.32 N ATOM 0 H ARG A 138 9.162 -10.924 3.262 1.00 12.04 H new ATOM 0 HA ARG A 138 9.101 -13.785 2.513 1.00 65.43 H new ATOM 0 HB2 ARG A 138 10.405 -12.469 4.905 1.00 13.34 H new ATOM 0 HB3 ARG A 138 10.390 -14.178 4.520 1.00 13.34 H new ATOM 0 HG2 ARG A 138 12.543 -13.482 3.833 1.00 52.32 H new ATOM 0 HG3 ARG A 138 11.641 -13.541 2.331 1.00 52.32 H new ATOM 0 HD2 ARG A 138 12.966 -11.491 2.349 1.00 64.42 H new ATOM 0 HD3 ARG A 138 11.273 -11.053 2.466 1.00 64.42 H new ATOM 0 HE ARG A 138 12.722 -11.294 5.033 1.00 12.10 H new ATOM 0 HH11 ARG A 138 11.434 -9.061 2.561 1.00 52.14 H new ATOM 0 HH12 ARG A 138 11.614 -7.648 3.607 1.00 52.14 H new ATOM 0 HH21 ARG A 138 12.968 -9.447 6.298 1.00 61.32 H new ATOM 0 HH22 ARG A 138 12.469 -7.866 5.690 1.00 61.32 H new ATOM 1395 N ASN A 139 7.342 -14.276 4.259 1.00 3.14 N ATOM 1396 CA ASN A 139 6.086 -14.533 5.021 1.00 25.35 C ATOM 1397 C ASN A 139 4.877 -14.006 4.269 1.00 22.24 C ATOM 1398 O ASN A 139 3.760 -14.020 4.766 1.00 33.24 O ATOM 1399 CB ASN A 139 6.116 -13.989 6.470 1.00 13.21 C ATOM 1400 CG ASN A 139 7.048 -14.756 7.395 1.00 51.15 C ATOM 1401 OD1 ASN A 139 8.074 -15.302 6.978 1.00 44.34 O ATOM 1402 ND2 ASN A 139 6.694 -14.827 8.645 1.00 13.35 N ATOM 0 H ASN A 139 7.756 -15.121 3.866 1.00 3.14 H new ATOM 0 HA ASN A 139 6.005 -15.616 5.108 1.00 25.35 H new ATOM 0 HB2 ASN A 139 6.421 -12.943 6.449 1.00 13.21 H new ATOM 0 HB3 ASN A 139 5.107 -14.019 6.880 1.00 13.21 H new ATOM 0 HD21 ASN A 139 7.270 -15.344 9.310 1.00 13.35 H new ATOM 0 HD22 ASN A 139 5.841 -14.366 8.960 1.00 13.35 H new ATOM 1409 N ASN A 140 5.124 -13.617 3.048 1.00 21.03 N ATOM 1410 CA ASN A 140 4.149 -13.061 2.135 1.00 71.13 C ATOM 1411 C ASN A 140 4.601 -13.529 0.761 1.00 74.21 C ATOM 1412 O ASN A 140 5.344 -14.508 0.662 1.00 62.00 O ATOM 1413 CB ASN A 140 4.184 -11.503 2.144 1.00 72.01 C ATOM 1414 CG ASN A 140 3.913 -10.819 3.479 1.00 64.01 C ATOM 1415 OD1 ASN A 140 2.785 -10.521 3.823 1.00 2.42 O ATOM 1416 ND2 ASN A 140 4.960 -10.514 4.197 1.00 62.31 N ATOM 0 H ASN A 140 6.056 -13.680 2.638 1.00 21.03 H new ATOM 0 HA ASN A 140 3.140 -13.373 2.406 1.00 71.13 H new ATOM 0 HB2 ASN A 140 5.164 -11.183 1.791 1.00 72.01 H new ATOM 0 HB3 ASN A 140 3.451 -11.142 1.422 1.00 72.01 H new ATOM 0 HD21 ASN A 140 4.846 -10.010 5.077 1.00 62.31 H new ATOM 0 HD22 ASN A 140 5.892 -10.780 3.878 1.00 62.31 H new ATOM 1423 N GLN A 141 4.248 -12.814 -0.265 1.00 74.00 N ATOM 1424 CA GLN A 141 4.628 -13.153 -1.608 1.00 42.33 C ATOM 1425 C GLN A 141 5.873 -12.384 -1.927 1.00 54.32 C ATOM 1426 O GLN A 141 6.196 -11.469 -1.207 1.00 73.21 O ATOM 1427 CB GLN A 141 3.534 -12.781 -2.617 1.00 25.53 C ATOM 1428 CG GLN A 141 3.183 -11.303 -2.741 1.00 45.14 C ATOM 1429 CD GLN A 141 2.378 -10.764 -1.584 1.00 43.34 C ATOM 1430 OE1 GLN A 141 1.168 -10.802 -1.594 1.00 40.21 O ATOM 1431 NE2 GLN A 141 3.052 -10.225 -0.601 1.00 53.32 N ATOM 0 H GLN A 141 3.682 -11.969 -0.195 1.00 74.00 H new ATOM 0 HA GLN A 141 4.787 -14.229 -1.678 1.00 42.33 H new ATOM 0 HB2 GLN A 141 3.842 -13.140 -3.599 1.00 25.53 H new ATOM 0 HB3 GLN A 141 2.627 -13.324 -2.349 1.00 25.53 H new ATOM 0 HG2 GLN A 141 4.104 -10.727 -2.828 1.00 45.14 H new ATOM 0 HG3 GLN A 141 2.622 -11.149 -3.663 1.00 45.14 H new ATOM 0 HE21 GLN A 141 4.072 -10.212 -0.629 1.00 53.32 H new ATOM 0 HE22 GLN A 141 2.558 -9.818 0.193 1.00 53.32 H new ATOM 1440 N THR A 142 6.531 -12.680 -3.005 1.00 1.22 N ATOM 1441 CA THR A 142 7.731 -11.980 -3.318 1.00 44.31 C ATOM 1442 C THR A 142 7.440 -10.796 -4.233 1.00 14.31 C ATOM 1443 O THR A 142 7.073 -10.920 -5.410 1.00 42.33 O ATOM 1444 CB THR A 142 8.831 -12.917 -3.853 1.00 53.41 C ATOM 1445 OG1 THR A 142 8.260 -13.894 -4.745 1.00 41.10 O ATOM 1446 CG2 THR A 142 9.565 -13.613 -2.694 1.00 24.50 C ATOM 0 H THR A 142 6.257 -13.397 -3.677 1.00 1.22 H new ATOM 0 HA THR A 142 8.137 -11.570 -2.393 1.00 44.31 H new ATOM 0 HB THR A 142 9.556 -12.319 -4.405 1.00 53.41 H new ATOM 0 HG1 THR A 142 8.967 -14.483 -5.081 1.00 41.10 H new ATOM 0 HG21 THR A 142 10.337 -14.270 -3.095 1.00 24.50 H new ATOM 0 HG22 THR A 142 10.025 -12.862 -2.051 1.00 24.50 H new ATOM 0 HG23 THR A 142 8.854 -14.201 -2.114 1.00 24.50 H new ATOM 1454 N ILE A 143 7.594 -9.662 -3.626 1.00 23.11 N ATOM 1455 CA ILE A 143 7.249 -8.362 -4.116 1.00 52.42 C ATOM 1456 C ILE A 143 8.387 -7.379 -3.818 1.00 60.53 C ATOM 1457 O ILE A 143 9.209 -7.651 -2.930 1.00 31.12 O ATOM 1458 CB ILE A 143 5.870 -7.881 -3.574 1.00 11.42 C ATOM 1459 CG1 ILE A 143 5.773 -8.032 -2.099 1.00 52.31 C ATOM 1460 CG2 ILE A 143 4.710 -8.568 -4.238 1.00 52.45 C ATOM 1461 CD1 ILE A 143 6.440 -6.920 -1.370 1.00 25.21 C ATOM 0 H ILE A 143 8.000 -9.617 -2.692 1.00 23.11 H new ATOM 0 HA ILE A 143 7.129 -8.413 -5.198 1.00 52.42 H new ATOM 0 HB ILE A 143 5.811 -6.821 -3.822 1.00 11.42 H new ATOM 0 HG12 ILE A 143 4.723 -8.075 -1.809 1.00 52.31 H new ATOM 0 HG13 ILE A 143 6.224 -8.979 -1.803 1.00 52.31 H new ATOM 0 HG21 ILE A 143 3.776 -8.192 -3.819 1.00 52.45 H new ATOM 0 HG22 ILE A 143 4.734 -8.368 -5.309 1.00 52.45 H new ATOM 0 HG23 ILE A 143 4.777 -9.642 -4.067 1.00 52.45 H new ATOM 0 HD11 ILE A 143 6.341 -7.078 -0.296 1.00 25.21 H new ATOM 0 HD12 ILE A 143 7.497 -6.892 -1.636 1.00 25.21 H new ATOM 0 HD13 ILE A 143 5.972 -5.974 -1.643 1.00 25.21 H new ATOM 1473 N PHE A 144 8.481 -6.315 -4.568 1.00 73.42 N ATOM 1474 CA PHE A 144 9.597 -5.396 -4.477 1.00 25.41 C ATOM 1475 C PHE A 144 9.296 -4.346 -3.429 1.00 53.02 C ATOM 1476 O PHE A 144 8.255 -3.681 -3.475 1.00 12.33 O ATOM 1477 CB PHE A 144 9.723 -4.632 -5.794 1.00 62.10 C ATOM 1478 CG PHE A 144 10.073 -5.426 -7.002 1.00 45.31 C ATOM 1479 CD1 PHE A 144 9.111 -6.151 -7.691 1.00 72.52 C ATOM 1480 CD2 PHE A 144 11.362 -5.403 -7.480 1.00 54.31 C ATOM 1481 CE1 PHE A 144 9.439 -6.841 -8.839 1.00 60.43 C ATOM 1482 CE2 PHE A 144 11.704 -6.094 -8.623 1.00 71.30 C ATOM 1483 CZ PHE A 144 10.739 -6.816 -9.307 1.00 3.11 C ATOM 0 H PHE A 144 7.784 -6.054 -5.266 1.00 73.42 H new ATOM 0 HA PHE A 144 10.497 -5.964 -4.241 1.00 25.41 H new ATOM 0 HB2 PHE A 144 8.777 -4.125 -5.984 1.00 62.10 H new ATOM 0 HB3 PHE A 144 10.480 -3.858 -5.666 1.00 62.10 H new ATOM 0 HD1 PHE A 144 8.095 -6.175 -7.324 1.00 72.52 H new ATOM 0 HD2 PHE A 144 12.116 -4.837 -6.954 1.00 54.31 H new ATOM 0 HE1 PHE A 144 8.682 -7.399 -9.371 1.00 60.43 H new ATOM 0 HE2 PHE A 144 12.722 -6.073 -8.984 1.00 71.30 H new ATOM 0 HZ PHE A 144 11.002 -7.358 -10.203 1.00 3.11 H new ATOM 1493 N GLU A 145 10.199 -4.209 -2.492 1.00 74.24 N ATOM 1494 CA GLU A 145 10.050 -3.282 -1.432 1.00 54.42 C ATOM 1495 C GLU A 145 10.792 -2.006 -1.792 1.00 41.22 C ATOM 1496 O GLU A 145 11.867 -2.051 -2.397 1.00 23.53 O ATOM 1497 CB GLU A 145 10.563 -3.865 -0.099 1.00 52.21 C ATOM 1498 CG GLU A 145 9.979 -5.223 0.283 1.00 73.51 C ATOM 1499 CD GLU A 145 9.890 -5.433 1.800 1.00 34.11 C ATOM 1500 OE1 GLU A 145 10.867 -5.908 2.427 1.00 53.02 O ATOM 1501 OE2 GLU A 145 8.806 -5.102 2.396 1.00 20.43 O ATOM 0 H GLU A 145 11.063 -4.750 -2.455 1.00 74.24 H new ATOM 0 HA GLU A 145 8.992 -3.062 -1.293 1.00 54.42 H new ATOM 0 HB2 GLU A 145 11.648 -3.956 -0.154 1.00 52.21 H new ATOM 0 HB3 GLU A 145 10.343 -3.155 0.698 1.00 52.21 H new ATOM 0 HG2 GLU A 145 8.983 -5.319 -0.150 1.00 73.51 H new ATOM 0 HG3 GLU A 145 10.593 -6.012 -0.152 1.00 73.51 H new ATOM 1508 N GLN A 146 10.227 -0.892 -1.457 1.00 72.24 N ATOM 1509 CA GLN A 146 10.812 0.371 -1.790 1.00 41.22 C ATOM 1510 C GLN A 146 11.083 1.141 -0.487 1.00 42.44 C ATOM 1511 O GLN A 146 10.145 1.460 0.256 1.00 71.43 O ATOM 1512 CB GLN A 146 9.849 1.130 -2.722 1.00 23.32 C ATOM 1513 CG GLN A 146 10.549 2.128 -3.616 1.00 70.22 C ATOM 1514 CD GLN A 146 9.635 2.836 -4.585 1.00 74.11 C ATOM 1515 OE1 GLN A 146 9.418 2.389 -5.694 1.00 42.04 O ATOM 1516 NE2 GLN A 146 9.105 3.945 -4.188 1.00 2.54 N ATOM 0 H GLN A 146 9.347 -0.829 -0.945 1.00 72.24 H new ATOM 0 HA GLN A 146 11.760 0.248 -2.315 1.00 41.22 H new ATOM 0 HB2 GLN A 146 9.311 0.412 -3.341 1.00 23.32 H new ATOM 0 HB3 GLN A 146 9.105 1.651 -2.119 1.00 23.32 H new ATOM 0 HG2 GLN A 146 11.046 2.872 -2.993 1.00 70.22 H new ATOM 0 HG3 GLN A 146 11.327 1.612 -4.178 1.00 70.22 H new ATOM 0 HE21 GLN A 146 9.303 4.299 -3.252 1.00 2.54 H new ATOM 0 HE22 GLN A 146 8.488 4.467 -4.810 1.00 2.54 H new ATOM 1525 N THR A 147 12.361 1.362 -0.173 1.00 23.43 N ATOM 1526 CA THR A 147 12.771 2.021 1.089 1.00 74.34 C ATOM 1527 C THR A 147 13.411 3.373 0.807 1.00 53.45 C ATOM 1528 O THR A 147 13.863 3.619 -0.299 1.00 1.31 O ATOM 1529 CB THR A 147 13.802 1.148 1.814 1.00 4.01 C ATOM 1530 OG1 THR A 147 13.911 -0.103 1.110 1.00 64.15 O ATOM 1531 CG2 THR A 147 13.371 0.883 3.253 1.00 40.13 C ATOM 0 H THR A 147 13.141 1.096 -0.773 1.00 23.43 H new ATOM 0 HA THR A 147 11.882 2.158 1.704 1.00 74.34 H new ATOM 0 HB THR A 147 14.762 1.665 1.834 1.00 4.01 H new ATOM 0 HG1 THR A 147 14.256 -0.791 1.717 1.00 64.15 H new ATOM 0 HG21 THR A 147 14.117 0.262 3.748 1.00 40.13 H new ATOM 0 HG22 THR A 147 13.277 1.830 3.785 1.00 40.13 H new ATOM 0 HG23 THR A 147 12.410 0.368 3.256 1.00 40.13 H new ATOM 1539 N ILE A 148 13.444 4.226 1.784 1.00 14.23 N ATOM 1540 CA ILE A 148 14.023 5.546 1.645 1.00 42.24 C ATOM 1541 C ILE A 148 15.286 5.618 2.485 1.00 15.44 C ATOM 1542 O ILE A 148 15.437 4.901 3.472 1.00 4.10 O ATOM 1543 CB ILE A 148 13.047 6.627 2.145 1.00 42.24 C ATOM 1544 CG1 ILE A 148 11.663 6.309 1.628 1.00 42.30 C ATOM 1545 CG2 ILE A 148 13.484 7.977 1.589 1.00 62.33 C ATOM 1546 CD1 ILE A 148 10.520 6.881 2.402 1.00 61.03 C ATOM 0 H ILE A 148 13.069 4.033 2.713 1.00 14.23 H new ATOM 0 HA ILE A 148 14.241 5.721 0.592 1.00 42.24 H new ATOM 0 HB ILE A 148 13.042 6.655 3.235 1.00 42.24 H new ATOM 0 HG12 ILE A 148 11.592 6.664 0.600 1.00 42.30 H new ATOM 0 HG13 ILE A 148 11.549 5.225 1.600 1.00 42.30 H new ATOM 0 HG21 ILE A 148 12.800 8.752 1.936 1.00 62.33 H new ATOM 0 HG22 ILE A 148 14.493 8.203 1.933 1.00 62.33 H new ATOM 0 HG23 ILE A 148 13.471 7.943 0.500 1.00 62.33 H new ATOM 0 HD11 ILE A 148 9.580 6.585 1.936 1.00 61.03 H new ATOM 0 HD12 ILE A 148 10.551 6.508 3.426 1.00 61.03 H new ATOM 0 HD13 ILE A 148 10.594 7.968 2.410 1.00 61.03 H new ATOM 1558 N ASN A 149 16.169 6.482 2.097 1.00 63.11 N ATOM 1559 CA ASN A 149 17.445 6.678 2.761 1.00 65.42 C ATOM 1560 C ASN A 149 17.407 7.891 3.688 1.00 74.21 C ATOM 1561 O ASN A 149 18.450 8.397 4.112 1.00 75.23 O ATOM 1562 CB ASN A 149 18.538 6.860 1.686 1.00 31.20 C ATOM 1563 CG ASN A 149 18.194 7.891 0.594 1.00 40.41 C ATOM 1564 OD1 ASN A 149 18.586 7.725 -0.556 1.00 54.43 O ATOM 1565 ND2 ASN A 149 17.507 8.966 0.937 1.00 42.21 N ATOM 0 H ASN A 149 16.032 7.092 1.291 1.00 63.11 H new ATOM 0 HA ASN A 149 17.665 5.805 3.375 1.00 65.42 H new ATOM 0 HB2 ASN A 149 19.464 7.163 2.175 1.00 31.20 H new ATOM 0 HB3 ASN A 149 18.728 5.897 1.212 1.00 31.20 H new ATOM 0 HD21 ASN A 149 17.293 9.678 0.239 1.00 42.21 H new ATOM 0 HD22 ASN A 149 17.191 9.084 1.900 1.00 42.21 H new ATOM 1572 N ASP A 150 16.214 8.361 3.988 1.00 22.30 N ATOM 1573 CA ASP A 150 16.060 9.586 4.768 1.00 70.14 C ATOM 1574 C ASP A 150 14.730 9.613 5.465 1.00 31.34 C ATOM 1575 O ASP A 150 14.641 9.631 6.694 1.00 40.03 O ATOM 1576 CB ASP A 150 16.102 10.747 3.819 1.00 11.05 C ATOM 1577 CG ASP A 150 16.191 12.085 4.521 1.00 71.03 C ATOM 1578 OD1 ASP A 150 15.160 12.691 4.829 1.00 22.33 O ATOM 1579 OD2 ASP A 150 17.318 12.552 4.748 1.00 45.31 O ATOM 0 H ASP A 150 15.337 7.921 3.709 1.00 22.30 H new ATOM 0 HA ASP A 150 16.856 9.636 5.511 1.00 70.14 H new ATOM 0 HB2 ASP A 150 16.959 10.634 3.154 1.00 11.05 H new ATOM 0 HB3 ASP A 150 15.209 10.730 3.194 1.00 11.05 H new ATOM 1584 N LEU A 151 13.696 9.546 4.655 1.00 42.21 N ATOM 1585 CA LEU A 151 12.296 9.633 5.065 1.00 41.10 C ATOM 1586 C LEU A 151 11.820 8.263 5.572 1.00 51.55 C ATOM 1587 O LEU A 151 10.624 7.985 5.643 1.00 61.15 O ATOM 1588 CB LEU A 151 11.494 10.008 3.835 1.00 63.43 C ATOM 1589 CG LEU A 151 12.044 11.146 2.983 1.00 2.14 C ATOM 1590 CD1 LEU A 151 11.635 10.952 1.551 1.00 33.41 C ATOM 1591 CD2 LEU A 151 11.502 12.450 3.446 1.00 14.42 C ATOM 0 H LEU A 151 13.804 9.424 3.648 1.00 42.21 H new ATOM 0 HA LEU A 151 12.172 10.368 5.861 1.00 41.10 H new ATOM 0 HB2 LEU A 151 11.403 9.123 3.205 1.00 63.43 H new ATOM 0 HB3 LEU A 151 10.487 10.277 4.154 1.00 63.43 H new ATOM 0 HG LEU A 151 13.130 11.144 3.073 1.00 2.14 H new ATOM 0 HD11 LEU A 151 12.030 11.768 0.946 1.00 33.41 H new ATOM 0 HD12 LEU A 151 12.030 10.004 1.185 1.00 33.41 H new ATOM 0 HD13 LEU A 151 10.547 10.943 1.481 1.00 33.41 H new ATOM 0 HD21 LEU A 151 11.905 13.252 2.827 1.00 14.42 H new ATOM 0 HD22 LEU A 151 10.415 12.441 3.366 1.00 14.42 H new ATOM 0 HD23 LEU A 151 11.788 12.615 4.485 1.00 14.42 H new ATOM 1603 N THR A 152 12.790 7.453 5.929 1.00 11.03 N ATOM 1604 CA THR A 152 12.669 6.093 6.414 1.00 43.14 C ATOM 1605 C THR A 152 11.658 5.985 7.586 1.00 34.34 C ATOM 1606 O THR A 152 10.975 4.954 7.770 1.00 60.34 O ATOM 1607 CB THR A 152 14.076 5.695 6.874 1.00 2.32 C ATOM 1608 OG1 THR A 152 15.005 6.173 5.879 1.00 20.34 O ATOM 1609 CG2 THR A 152 14.227 4.198 6.982 1.00 12.35 C ATOM 0 H THR A 152 13.765 7.751 5.885 1.00 11.03 H new ATOM 0 HA THR A 152 12.290 5.433 5.634 1.00 43.14 H new ATOM 0 HB THR A 152 14.262 6.125 7.858 1.00 2.32 H new ATOM 0 HG1 THR A 152 14.986 5.577 5.101 1.00 20.34 H new ATOM 0 HG21 THR A 152 15.238 3.957 7.311 1.00 12.35 H new ATOM 0 HG22 THR A 152 13.509 3.811 7.705 1.00 12.35 H new ATOM 0 HG23 THR A 152 14.044 3.743 6.009 1.00 12.35 H new ATOM 1617 N PHE A 153 11.560 7.054 8.350 1.00 11.43 N ATOM 1618 CA PHE A 153 10.609 7.167 9.440 1.00 21.13 C ATOM 1619 C PHE A 153 9.160 7.001 8.946 1.00 52.12 C ATOM 1620 O PHE A 153 8.218 6.905 9.753 1.00 32.31 O ATOM 1621 CB PHE A 153 10.785 8.520 10.166 1.00 65.05 C ATOM 1622 CG PHE A 153 10.830 9.731 9.248 1.00 24.23 C ATOM 1623 CD1 PHE A 153 9.683 10.221 8.645 1.00 74.15 C ATOM 1624 CD2 PHE A 153 12.031 10.366 8.990 1.00 2.42 C ATOM 1625 CE1 PHE A 153 9.736 11.316 7.807 1.00 22.40 C ATOM 1626 CE2 PHE A 153 12.091 11.463 8.155 1.00 43.03 C ATOM 1627 CZ PHE A 153 10.942 11.937 7.562 1.00 2.53 C ATOM 0 H PHE A 153 12.146 7.880 8.231 1.00 11.43 H new ATOM 0 HA PHE A 153 10.810 6.360 10.145 1.00 21.13 H new ATOM 0 HB2 PHE A 153 9.965 8.647 10.873 1.00 65.05 H new ATOM 0 HB3 PHE A 153 11.706 8.488 10.748 1.00 65.05 H new ATOM 0 HD1 PHE A 153 8.735 9.740 8.833 1.00 74.15 H new ATOM 0 HD2 PHE A 153 12.936 9.998 9.449 1.00 2.42 H new ATOM 0 HE1 PHE A 153 8.833 11.686 7.344 1.00 22.40 H new ATOM 0 HE2 PHE A 153 13.037 11.949 7.967 1.00 43.03 H new ATOM 0 HZ PHE A 153 10.986 12.794 6.906 1.00 2.53 H new