USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=30 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 76 THR OG1 : rot -78:sc= 2.13 USER MOD Set 1.2: A 112 LYS NZ :NH3+ 170:sc= 1.02 (180deg=0) USER MOD Set 2.1: A 104 CYS SG : rot -108:sc= -3.03! USER MOD Set 2.2: A 107 CYS SG : rot 118:sc= 0.873! USER MOD Set 2.3: A 120 HIS : no HD1:sc= -4.43! C(o=-9!,f=-29!) USER MOD Set 2.4: A 125 HIS : no HD1:sc= -2.45 K(o=-9,f=-22!) USER MOD Set 3.1: A 72 CYS SG : rot 134:sc= -1.37! USER MOD Set 3.2: A 75 CYS SG : rot -98:sc= -4.94! USER MOD Set 3.3: A 88 HIS : no HE2:sc= -0.799! C(o=-9.2!,f=-31!) USER MOD Set 3.4: A 93 HIS : no HE2:sc= -2.04 K(o=-9.2,f=-16!) USER MOD Set 4.1: A 73 LYS NZ :NH3+ -138:sc= 0.809 (180deg=0) USER MOD Set 4.2: A 141 GLN : amide:sc= -1.39! K(o=-0.58!,f=-3.9) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 150:sc=-0.00412 USER MOD Single : A 78 GLN : amide:sc= -0.883 K(o=-0.88,f=-4.3!) USER MOD Single : A 79 THR OG1 : rot 170:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.0012) 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 -85:sc= 1.27 USER MOD Single : A 100 SER OG : rot -31:sc= 0.306 USER MOD Single : A 101 SER OG : rot 110:sc= -0.136 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.0332 F(o=-1.1,f=-0.033) USER MOD Single : A 111 THR OG1 : rot -108:sc= 1.52 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= -3.32! C(o=-3.3!,f=-6.7!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot -172:sc= -2.74! USER MOD Single : A 130 ASN :FLIP amide:sc= -0.568 F(o=-3!,f=-0.57) 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 157:sc= -0.464 (180deg=-1.33) USER MOD Single : A 137 LYS NZ :NH3+ 175:sc= 1.12 (180deg=0.932) USER MOD Single : A 139 ASN : amide:sc= -0.754 X(o=-0.75,f=-0.35) USER MOD Single : A 140 ASN : amide:sc= 0.515 K(o=0.51,f=0) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 GLN : amide:sc= -1.07 X(o=-1.1,f=-0.85) USER MOD Single : A 147 THR OG1 : rot -158:sc= -2.36! USER MOD Single : A 149 ASN :FLIP amide:sc= -0.845 F(o=-4!,f=-0.84) USER MOD Single : A 152 THR OG1 : rot -91:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 235 N VAL A 66 -4.832 6.074 -4.440 1.00 1.04 N ATOM 236 CA VAL A 66 -4.188 6.056 -3.184 1.00 52.13 C ATOM 237 C VAL A 66 -4.298 7.495 -2.630 1.00 0.23 C ATOM 238 O VAL A 66 -3.960 8.462 -3.322 1.00 71.35 O ATOM 239 CB VAL A 66 -2.707 5.541 -3.258 1.00 51.33 C ATOM 240 CG1 VAL A 66 -1.688 6.589 -3.662 1.00 1.34 C ATOM 241 CG2 VAL A 66 -2.354 4.870 -1.983 1.00 40.21 C ATOM 0 HA VAL A 66 -4.670 5.344 -2.514 1.00 52.13 H new ATOM 0 HB VAL A 66 -2.664 4.819 -4.074 1.00 51.33 H new ATOM 0 HG11 VAL A 66 -0.695 6.141 -3.686 1.00 1.34 H new ATOM 0 HG12 VAL A 66 -1.936 6.975 -4.651 1.00 1.34 H new ATOM 0 HG13 VAL A 66 -1.700 7.406 -2.940 1.00 1.34 H new ATOM 0 HG21 VAL A 66 -1.326 4.512 -2.033 1.00 40.21 H new ATOM 0 HG22 VAL A 66 -2.452 5.578 -1.160 1.00 40.21 H new ATOM 0 HG23 VAL A 66 -3.024 4.027 -1.818 1.00 40.21 H new ATOM 251 N GLU A 67 -4.891 7.662 -1.466 1.00 4.51 N ATOM 252 CA GLU A 67 -5.082 9.014 -0.961 1.00 2.53 C ATOM 253 C GLU A 67 -4.042 9.384 0.068 1.00 74.41 C ATOM 254 O GLU A 67 -3.076 10.072 -0.249 1.00 12.24 O ATOM 255 CB GLU A 67 -6.487 9.209 -0.426 1.00 24.13 C ATOM 256 CG GLU A 67 -7.543 8.829 -1.426 1.00 23.10 C ATOM 257 CD GLU A 67 -8.925 9.136 -0.948 1.00 32.40 C ATOM 258 OE1 GLU A 67 -9.362 8.537 0.039 1.00 25.11 O ATOM 259 OE2 GLU A 67 -9.596 10.013 -1.534 1.00 42.35 O ATOM 0 H GLU A 67 -5.239 6.913 -0.868 1.00 4.51 H new ATOM 0 HA GLU A 67 -4.952 9.693 -1.803 1.00 2.53 H new ATOM 0 HB2 GLU A 67 -6.615 8.611 0.477 1.00 24.13 H new ATOM 0 HB3 GLU A 67 -6.621 10.252 -0.139 1.00 24.13 H new ATOM 0 HG2 GLU A 67 -7.360 9.359 -2.361 1.00 23.10 H new ATOM 0 HG3 GLU A 67 -7.466 7.764 -1.643 1.00 23.10 H new ATOM 266 N GLY A 68 -4.232 8.948 1.295 1.00 51.15 N ATOM 267 CA GLY A 68 -3.238 9.212 2.294 1.00 73.52 C ATOM 268 C GLY A 68 -3.063 8.082 3.249 1.00 42.11 C ATOM 269 O GLY A 68 -2.340 8.190 4.236 1.00 55.24 O ATOM 0 H GLY A 68 -5.047 8.423 1.613 1.00 51.15 H new ATOM 0 HA2 GLY A 68 -2.286 9.420 1.806 1.00 73.52 H new ATOM 0 HA3 GLY A 68 -3.515 10.109 2.847 1.00 73.52 H new ATOM 273 N GLY A 69 -3.697 6.990 2.959 1.00 34.33 N ATOM 274 CA GLY A 69 -3.559 5.856 3.807 1.00 52.24 C ATOM 275 C GLY A 69 -2.917 4.691 3.123 1.00 23.34 C ATOM 276 O GLY A 69 -2.281 4.841 2.098 1.00 40.14 O ATOM 0 H GLY A 69 -4.307 6.863 2.152 1.00 34.33 H new ATOM 0 HA2 GLY A 69 -2.965 6.131 4.679 1.00 52.24 H new ATOM 0 HA3 GLY A 69 -4.543 5.560 4.172 1.00 52.24 H new ATOM 280 N TYR A 70 -3.133 3.536 3.642 1.00 3.22 N ATOM 281 CA TYR A 70 -2.538 2.347 3.108 1.00 34.23 C ATOM 282 C TYR A 70 -3.580 1.528 2.450 1.00 45.41 C ATOM 283 O TYR A 70 -4.580 1.154 3.072 1.00 61.33 O ATOM 284 CB TYR A 70 -1.850 1.567 4.217 1.00 33.50 C ATOM 285 CG TYR A 70 -0.978 2.430 5.098 1.00 41.30 C ATOM 286 CD1 TYR A 70 0.121 3.108 4.582 1.00 24.22 C ATOM 287 CD2 TYR A 70 -1.286 2.605 6.435 1.00 43.52 C ATOM 288 CE1 TYR A 70 0.889 3.927 5.384 1.00 24.01 C ATOM 289 CE2 TYR A 70 -0.536 3.424 7.234 1.00 15.54 C ATOM 290 CZ TYR A 70 0.554 4.087 6.712 1.00 62.24 C ATOM 291 OH TYR A 70 1.318 4.913 7.521 1.00 34.43 O ATOM 0 H TYR A 70 -3.730 3.380 4.454 1.00 3.22 H new ATOM 0 HA TYR A 70 -1.785 2.614 2.366 1.00 34.23 H new ATOM 0 HB2 TYR A 70 -2.606 1.078 4.832 1.00 33.50 H new ATOM 0 HB3 TYR A 70 -1.241 0.779 3.774 1.00 33.50 H new ATOM 0 HD1 TYR A 70 0.377 2.992 3.539 1.00 24.22 H new ATOM 0 HD2 TYR A 70 -2.134 2.086 6.856 1.00 43.52 H new ATOM 0 HE1 TYR A 70 1.747 4.439 4.974 1.00 24.01 H new ATOM 0 HE2 TYR A 70 -0.798 3.551 8.274 1.00 15.54 H new ATOM 0 HH TYR A 70 0.947 4.917 8.428 1.00 34.43 H new ATOM 301 N GLU A 71 -3.399 1.342 1.179 1.00 75.21 N ATOM 302 CA GLU A 71 -4.237 0.487 0.419 1.00 32.22 C ATOM 303 C GLU A 71 -3.584 -0.866 0.427 1.00 21.03 C ATOM 304 O GLU A 71 -2.375 -0.964 0.484 1.00 4.14 O ATOM 305 CB GLU A 71 -4.368 0.952 -1.053 1.00 53.12 C ATOM 306 CG GLU A 71 -5.257 0.002 -1.883 1.00 34.34 C ATOM 307 CD GLU A 71 -5.085 0.102 -3.384 1.00 12.35 C ATOM 308 OE1 GLU A 71 -3.922 0.005 -3.880 1.00 72.44 O ATOM 309 OE2 GLU A 71 -6.122 0.210 -4.118 1.00 72.44 O ATOM 0 H GLU A 71 -2.656 1.787 0.641 1.00 75.21 H new ATOM 0 HA GLU A 71 -5.237 0.484 0.853 1.00 32.22 H new ATOM 0 HB2 GLU A 71 -4.788 1.957 -1.079 1.00 53.12 H new ATOM 0 HB3 GLU A 71 -3.378 1.009 -1.505 1.00 53.12 H new ATOM 0 HG2 GLU A 71 -5.049 -1.023 -1.577 1.00 34.34 H new ATOM 0 HG3 GLU A 71 -6.300 0.202 -1.639 1.00 34.34 H new ATOM 316 N CYS A 72 -4.362 -1.858 0.473 1.00 54.23 N ATOM 317 CA CYS A 72 -3.875 -3.192 0.276 1.00 32.32 C ATOM 318 C CYS A 72 -3.950 -3.528 -1.219 1.00 51.02 C ATOM 319 O CYS A 72 -4.971 -3.306 -1.854 1.00 11.31 O ATOM 320 CB CYS A 72 -4.744 -4.199 0.994 1.00 3.35 C ATOM 321 SG CYS A 72 -5.057 -3.917 2.771 1.00 51.14 S ATOM 0 H CYS A 72 -5.365 -1.793 0.648 1.00 54.23 H new ATOM 0 HA CYS A 72 -2.856 -3.240 0.659 1.00 32.32 H new ATOM 0 HB2 CYS A 72 -5.706 -4.239 0.484 1.00 3.35 H new ATOM 0 HB3 CYS A 72 -4.284 -5.181 0.884 1.00 3.35 H new ATOM 0 HG CYS A 72 -6.324 -4.071 3.018 1.00 51.14 H new ATOM 326 N LYS A 73 -2.898 -4.111 -1.753 1.00 13.21 N ATOM 327 CA LYS A 73 -2.853 -4.561 -3.156 1.00 52.25 C ATOM 328 C LYS A 73 -3.990 -5.568 -3.445 1.00 44.41 C ATOM 329 O LYS A 73 -4.398 -5.765 -4.585 1.00 51.40 O ATOM 330 CB LYS A 73 -1.515 -5.262 -3.426 1.00 64.12 C ATOM 331 CG LYS A 73 -1.288 -5.638 -4.888 1.00 60.34 C ATOM 332 CD LYS A 73 -0.322 -6.807 -5.048 1.00 65.20 C ATOM 333 CE LYS A 73 -0.944 -8.094 -4.536 1.00 11.24 C ATOM 334 NZ LYS A 73 -0.086 -9.276 -4.724 1.00 41.30 N ATOM 0 H LYS A 73 -2.038 -4.294 -1.236 1.00 13.21 H new ATOM 0 HA LYS A 73 -2.968 -3.687 -3.797 1.00 52.25 H new ATOM 0 HB2 LYS A 73 -0.704 -4.610 -3.100 1.00 64.12 H new ATOM 0 HB3 LYS A 73 -1.462 -6.165 -2.818 1.00 64.12 H new ATOM 0 HG2 LYS A 73 -2.243 -5.895 -5.346 1.00 60.34 H new ATOM 0 HG3 LYS A 73 -0.899 -4.773 -5.426 1.00 60.34 H new ATOM 0 HD2 LYS A 73 -0.052 -6.921 -6.098 1.00 65.20 H new ATOM 0 HD3 LYS A 73 0.599 -6.601 -4.503 1.00 65.20 H new ATOM 0 HE2 LYS A 73 -1.169 -7.983 -3.475 1.00 11.24 H new ATOM 0 HE3 LYS A 73 -1.893 -8.258 -5.047 1.00 11.24 H new ATOM 0 HZ1 LYS A 73 -0.665 -10.077 -5.049 1.00 41.30 H new ATOM 0 HZ2 LYS A 73 0.644 -9.066 -5.434 1.00 41.30 H new ATOM 0 HZ3 LYS A 73 0.370 -9.521 -3.822 1.00 41.30 H new ATOM 348 N TYR A 74 -4.487 -6.180 -2.397 1.00 61.23 N ATOM 349 CA TYR A 74 -5.501 -7.200 -2.502 1.00 73.41 C ATOM 350 C TYR A 74 -6.857 -6.733 -1.979 1.00 62.40 C ATOM 351 O TYR A 74 -7.793 -7.521 -1.904 1.00 10.14 O ATOM 352 CB TYR A 74 -5.050 -8.510 -1.814 1.00 42.04 C ATOM 353 CG TYR A 74 -3.792 -8.388 -0.958 1.00 70.12 C ATOM 354 CD1 TYR A 74 -3.846 -7.988 0.369 1.00 34.14 C ATOM 355 CD2 TYR A 74 -2.548 -8.687 -1.495 1.00 11.31 C ATOM 356 CE1 TYR A 74 -2.691 -7.888 1.133 1.00 61.42 C ATOM 357 CE2 TYR A 74 -1.397 -8.592 -0.746 1.00 72.35 C ATOM 358 CZ TYR A 74 -1.470 -8.194 0.565 1.00 12.23 C ATOM 359 OH TYR A 74 -0.318 -8.103 1.312 1.00 12.25 O ATOM 0 H TYR A 74 -4.196 -5.982 -1.440 1.00 61.23 H new ATOM 0 HA TYR A 74 -5.632 -7.405 -3.564 1.00 73.41 H new ATOM 0 HB2 TYR A 74 -5.864 -8.873 -1.187 1.00 42.04 H new ATOM 0 HB3 TYR A 74 -4.878 -9.265 -2.581 1.00 42.04 H new ATOM 0 HD1 TYR A 74 -4.801 -7.751 0.815 1.00 34.14 H new ATOM 0 HD2 TYR A 74 -2.481 -9.002 -2.526 1.00 11.31 H new ATOM 0 HE1 TYR A 74 -2.747 -7.573 2.165 1.00 61.42 H new ATOM 0 HE2 TYR A 74 -0.441 -8.830 -1.188 1.00 72.35 H new ATOM 0 HH TYR A 74 0.335 -8.758 0.988 1.00 12.25 H new ATOM 369 N CYS A 75 -6.971 -5.459 -1.636 1.00 2.01 N ATOM 370 CA CYS A 75 -8.241 -4.910 -1.210 1.00 10.33 C ATOM 371 C CYS A 75 -8.178 -3.394 -1.263 1.00 24.24 C ATOM 372 O CYS A 75 -7.408 -2.774 -0.518 1.00 14.30 O ATOM 373 CB CYS A 75 -8.678 -5.434 0.225 1.00 12.51 C ATOM 374 SG CYS A 75 -7.795 -4.761 1.735 1.00 33.50 S ATOM 0 H CYS A 75 -6.200 -4.791 -1.645 1.00 2.01 H new ATOM 0 HA CYS A 75 -9.012 -5.257 -1.898 1.00 10.33 H new ATOM 0 HB2 CYS A 75 -9.741 -5.226 0.343 1.00 12.51 H new ATOM 0 HB3 CYS A 75 -8.563 -6.518 0.230 1.00 12.51 H new ATOM 0 HG CYS A 75 -6.877 -5.601 2.112 1.00 33.50 H new ATOM 379 N THR A 76 -8.944 -2.783 -2.149 1.00 44.24 N ATOM 380 CA THR A 76 -8.988 -1.344 -2.204 1.00 11.15 C ATOM 381 C THR A 76 -9.909 -0.808 -1.099 1.00 25.40 C ATOM 382 O THR A 76 -11.026 -0.344 -1.319 1.00 0.31 O ATOM 383 CB THR A 76 -9.346 -0.791 -3.616 1.00 11.51 C ATOM 384 OG1 THR A 76 -8.372 -1.273 -4.561 1.00 44.11 O ATOM 385 CG2 THR A 76 -9.320 0.743 -3.639 1.00 63.03 C ATOM 0 H THR A 76 -9.535 -3.259 -2.830 1.00 44.24 H new ATOM 0 HA THR A 76 -7.980 -0.972 -2.017 1.00 11.15 H new ATOM 0 HB THR A 76 -10.350 -1.128 -3.872 1.00 11.51 H new ATOM 0 HG1 THR A 76 -7.552 -0.743 -4.484 1.00 44.11 H new ATOM 0 HG21 THR A 76 -9.574 1.096 -4.638 1.00 63.03 H new ATOM 0 HG22 THR A 76 -10.044 1.130 -2.922 1.00 63.03 H new ATOM 0 HG23 THR A 76 -8.323 1.094 -3.373 1.00 63.03 H new ATOM 393 N PHE A 77 -9.450 -1.043 0.084 1.00 34.00 N ATOM 394 CA PHE A 77 -10.005 -0.592 1.300 1.00 62.14 C ATOM 395 C PHE A 77 -8.832 -0.054 2.028 1.00 73.30 C ATOM 396 O PHE A 77 -7.956 -0.810 2.485 1.00 41.42 O ATOM 397 CB PHE A 77 -10.669 -1.734 2.091 1.00 14.13 C ATOM 398 CG PHE A 77 -11.893 -2.318 1.433 1.00 4.51 C ATOM 399 CD1 PHE A 77 -11.781 -3.342 0.512 1.00 21.42 C ATOM 400 CD2 PHE A 77 -13.154 -1.840 1.740 1.00 14.23 C ATOM 401 CE1 PHE A 77 -12.895 -3.879 -0.091 1.00 52.45 C ATOM 402 CE2 PHE A 77 -14.276 -2.375 1.138 1.00 31.41 C ATOM 403 CZ PHE A 77 -14.146 -3.397 0.221 1.00 0.22 C ATOM 0 H PHE A 77 -8.609 -1.601 0.228 1.00 34.00 H new ATOM 0 HA PHE A 77 -10.797 0.142 1.150 1.00 62.14 H new ATOM 0 HB2 PHE A 77 -9.938 -2.529 2.241 1.00 14.13 H new ATOM 0 HB3 PHE A 77 -10.944 -1.364 3.078 1.00 14.13 H new ATOM 0 HD1 PHE A 77 -10.804 -3.727 0.262 1.00 21.42 H new ATOM 0 HD2 PHE A 77 -13.262 -1.040 2.458 1.00 14.23 H new ATOM 0 HE1 PHE A 77 -12.788 -4.679 -0.809 1.00 52.45 H new ATOM 0 HE2 PHE A 77 -15.255 -1.993 1.385 1.00 31.41 H new ATOM 0 HZ PHE A 77 -15.022 -3.817 -0.250 1.00 0.22 H new ATOM 413 N GLN A 78 -8.780 1.212 2.104 1.00 22.44 N ATOM 414 CA GLN A 78 -7.629 1.883 2.565 1.00 55.22 C ATOM 415 C GLN A 78 -7.845 2.462 3.924 1.00 13.24 C ATOM 416 O GLN A 78 -8.946 2.916 4.264 1.00 3.34 O ATOM 417 CB GLN A 78 -7.236 2.972 1.542 1.00 42.40 C ATOM 418 CG GLN A 78 -6.245 3.982 2.064 1.00 34.00 C ATOM 419 CD GLN A 78 -5.697 4.903 1.007 1.00 13.15 C ATOM 420 OE1 GLN A 78 -6.252 5.946 0.694 1.00 41.22 O ATOM 421 NE2 GLN A 78 -4.558 4.582 0.552 1.00 60.42 N ATOM 0 H GLN A 78 -9.549 1.829 1.843 1.00 22.44 H new ATOM 0 HA GLN A 78 -6.811 1.169 2.656 1.00 55.22 H new ATOM 0 HB2 GLN A 78 -6.816 2.490 0.659 1.00 42.40 H new ATOM 0 HB3 GLN A 78 -8.137 3.496 1.222 1.00 42.40 H new ATOM 0 HG2 GLN A 78 -6.725 4.580 2.839 1.00 34.00 H new ATOM 0 HG3 GLN A 78 -5.417 3.453 2.536 1.00 34.00 H new ATOM 0 HE21 GLN A 78 -4.125 3.703 0.835 1.00 60.42 H new ATOM 0 HE22 GLN A 78 -4.075 5.203 -0.097 1.00 60.42 H new ATOM 430 N THR A 79 -6.818 2.403 4.715 1.00 54.04 N ATOM 431 CA THR A 79 -6.845 2.978 5.993 1.00 73.53 C ATOM 432 C THR A 79 -5.472 3.593 6.264 1.00 70.13 C ATOM 433 O THR A 79 -4.450 2.974 6.017 1.00 42.34 O ATOM 434 CB THR A 79 -7.262 1.949 7.097 1.00 55.45 C ATOM 435 OG1 THR A 79 -7.455 2.615 8.352 1.00 13.14 O ATOM 436 CG2 THR A 79 -6.238 0.832 7.262 1.00 71.24 C ATOM 0 H THR A 79 -5.938 1.947 4.475 1.00 54.04 H new ATOM 0 HA THR A 79 -7.607 3.757 6.027 1.00 73.53 H new ATOM 0 HB THR A 79 -8.199 1.496 6.772 1.00 55.45 H new ATOM 0 HG1 THR A 79 -7.868 1.997 8.990 1.00 13.14 H new ATOM 0 HG21 THR A 79 -6.572 0.144 8.039 1.00 71.24 H new ATOM 0 HG22 THR A 79 -6.133 0.293 6.321 1.00 71.24 H new ATOM 0 HG23 THR A 79 -5.276 1.259 7.545 1.00 71.24 H new ATOM 444 N PRO A 80 -5.431 4.872 6.604 1.00 51.23 N ATOM 445 CA PRO A 80 -4.192 5.565 6.978 1.00 20.10 C ATOM 446 C PRO A 80 -3.641 5.142 8.319 1.00 1.13 C ATOM 447 O PRO A 80 -2.629 5.660 8.766 1.00 13.42 O ATOM 448 CB PRO A 80 -4.591 7.032 6.993 1.00 12.33 C ATOM 449 CG PRO A 80 -6.058 7.021 7.201 1.00 52.41 C ATOM 450 CD PRO A 80 -6.558 5.793 6.514 1.00 74.44 C ATOM 0 HA PRO A 80 -3.387 5.334 6.280 1.00 20.10 H new ATOM 0 HB2 PRO A 80 -4.082 7.573 7.791 1.00 12.33 H new ATOM 0 HB3 PRO A 80 -4.328 7.524 6.057 1.00 12.33 H new ATOM 0 HG2 PRO A 80 -6.302 7.001 8.263 1.00 52.41 H new ATOM 0 HG3 PRO A 80 -6.519 7.917 6.785 1.00 52.41 H new ATOM 0 HD2 PRO A 80 -7.445 5.392 7.004 1.00 74.44 H new ATOM 0 HD3 PRO A 80 -6.830 5.995 5.478 1.00 74.44 H new ATOM 458 N ASP A 81 -4.301 4.217 8.947 1.00 73.12 N ATOM 459 CA ASP A 81 -3.843 3.694 10.203 1.00 44.13 C ATOM 460 C ASP A 81 -3.057 2.471 9.913 1.00 50.02 C ATOM 461 O ASP A 81 -3.594 1.540 9.330 1.00 71.50 O ATOM 462 CB ASP A 81 -4.993 3.254 11.038 1.00 41.44 C ATOM 463 CG ASP A 81 -4.677 3.237 12.495 1.00 42.34 C ATOM 464 OD1 ASP A 81 -4.809 4.290 13.151 1.00 24.32 O ATOM 465 OD2 ASP A 81 -4.310 2.179 13.006 1.00 12.52 O ATOM 0 H ASP A 81 -5.169 3.803 8.607 1.00 73.12 H new ATOM 0 HA ASP A 81 -3.271 4.464 10.721 1.00 44.13 H new ATOM 0 HB2 ASP A 81 -5.839 3.919 10.862 1.00 41.44 H new ATOM 0 HB3 ASP A 81 -5.302 2.256 10.726 1.00 41.44 H new ATOM 470 N LEU A 82 -1.815 2.462 10.278 1.00 22.43 N ATOM 471 CA LEU A 82 -0.976 1.324 10.069 1.00 72.32 C ATOM 472 C LEU A 82 -1.519 0.146 10.858 1.00 72.32 C ATOM 473 O LEU A 82 -1.601 -0.954 10.330 1.00 15.31 O ATOM 474 CB LEU A 82 0.458 1.632 10.502 1.00 10.00 C ATOM 475 CG LEU A 82 1.600 0.854 9.811 1.00 64.15 C ATOM 476 CD1 LEU A 82 1.402 -0.643 9.870 1.00 13.44 C ATOM 477 CD2 LEU A 82 1.724 1.300 8.395 1.00 72.12 C ATOM 0 H LEU A 82 -1.351 3.248 10.732 1.00 22.43 H new ATOM 0 HA LEU A 82 -0.968 1.076 9.008 1.00 72.32 H new ATOM 0 HB2 LEU A 82 0.634 2.696 10.345 1.00 10.00 H new ATOM 0 HB3 LEU A 82 0.530 1.452 11.575 1.00 10.00 H new ATOM 0 HG LEU A 82 2.520 1.073 10.353 1.00 64.15 H new ATOM 0 HD11 LEU A 82 2.233 -1.140 9.370 1.00 13.44 H new ATOM 0 HD12 LEU A 82 1.361 -0.964 10.911 1.00 13.44 H new ATOM 0 HD13 LEU A 82 0.469 -0.907 9.372 1.00 13.44 H new ATOM 0 HD21 LEU A 82 2.530 0.750 7.910 1.00 72.12 H new ATOM 0 HD22 LEU A 82 0.788 1.110 7.870 1.00 72.12 H new ATOM 0 HD23 LEU A 82 1.945 2.367 8.368 1.00 72.12 H new ATOM 489 N ASN A 83 -1.927 0.389 12.091 1.00 45.53 N ATOM 490 CA ASN A 83 -2.437 -0.653 12.931 1.00 54.30 C ATOM 491 C ASN A 83 -3.641 -1.261 12.294 1.00 11.12 C ATOM 492 O ASN A 83 -3.707 -2.445 12.149 1.00 32.53 O ATOM 493 CB ASN A 83 -2.822 -0.104 14.273 1.00 44.24 C ATOM 494 CG ASN A 83 -3.377 -1.148 15.201 1.00 71.03 C ATOM 495 OD1 ASN A 83 -2.643 -1.805 15.937 1.00 64.43 O ATOM 496 ND2 ASN A 83 -4.673 -1.309 15.177 1.00 62.43 N ATOM 0 H ASN A 83 -1.910 1.312 12.526 1.00 45.53 H new ATOM 0 HA ASN A 83 -1.660 -1.406 13.062 1.00 54.30 H new ATOM 0 HB2 ASN A 83 -1.948 0.356 14.735 1.00 44.24 H new ATOM 0 HB3 ASN A 83 -3.563 0.684 14.137 1.00 44.24 H new ATOM 0 HD21 ASN A 83 -5.112 -2.001 15.784 1.00 62.43 H new ATOM 0 HD22 ASN A 83 -5.246 -0.743 14.551 1.00 62.43 H new ATOM 503 N MET A 84 -4.568 -0.422 11.847 1.00 11.23 N ATOM 504 CA MET A 84 -5.801 -0.924 11.230 1.00 62.54 C ATOM 505 C MET A 84 -5.474 -1.584 9.934 1.00 12.34 C ATOM 506 O MET A 84 -6.134 -2.552 9.525 1.00 12.15 O ATOM 507 CB MET A 84 -6.835 0.165 10.992 1.00 4.34 C ATOM 508 CG MET A 84 -7.222 0.916 12.232 1.00 31.15 C ATOM 509 SD MET A 84 -7.904 -0.146 13.514 1.00 53.43 S ATOM 510 CE MET A 84 -8.242 1.067 14.789 1.00 54.05 C ATOM 0 H MET A 84 -4.497 0.594 11.896 1.00 11.23 H new ATOM 0 HA MET A 84 -6.240 -1.635 11.930 1.00 62.54 H new ATOM 0 HB2 MET A 84 -6.444 0.870 10.259 1.00 4.34 H new ATOM 0 HB3 MET A 84 -7.728 -0.284 10.557 1.00 4.34 H new ATOM 0 HG2 MET A 84 -6.347 1.434 12.624 1.00 31.15 H new ATOM 0 HG3 MET A 84 -7.955 1.680 11.973 1.00 31.15 H new ATOM 0 HE1 MET A 84 -8.671 0.570 15.659 1.00 54.05 H new ATOM 0 HE2 MET A 84 -7.314 1.562 15.075 1.00 54.05 H new ATOM 0 HE3 MET A 84 -8.946 1.807 14.409 1.00 54.05 H new ATOM 520 N PHE A 85 -4.458 -1.060 9.272 1.00 72.02 N ATOM 521 CA PHE A 85 -3.995 -1.665 8.048 1.00 1.33 C ATOM 522 C PHE A 85 -3.496 -3.086 8.301 1.00 1.24 C ATOM 523 O PHE A 85 -4.056 -4.031 7.778 1.00 44.01 O ATOM 524 CB PHE A 85 -2.895 -0.812 7.385 1.00 2.12 C ATOM 525 CG PHE A 85 -2.240 -1.501 6.222 1.00 3.22 C ATOM 526 CD1 PHE A 85 -2.886 -1.613 4.999 1.00 63.33 C ATOM 527 CD2 PHE A 85 -0.976 -2.053 6.363 1.00 71.11 C ATOM 528 CE1 PHE A 85 -2.282 -2.264 3.943 1.00 13.33 C ATOM 529 CE2 PHE A 85 -0.371 -2.703 5.311 1.00 54.00 C ATOM 530 CZ PHE A 85 -1.026 -2.808 4.098 1.00 62.51 C ATOM 0 H PHE A 85 -3.946 -0.226 9.561 1.00 72.02 H new ATOM 0 HA PHE A 85 -4.840 -1.715 7.361 1.00 1.33 H new ATOM 0 HB2 PHE A 85 -3.328 0.129 7.046 1.00 2.12 H new ATOM 0 HB3 PHE A 85 -2.137 -0.565 8.128 1.00 2.12 H new ATOM 0 HD1 PHE A 85 -3.870 -1.187 4.873 1.00 63.33 H new ATOM 0 HD2 PHE A 85 -0.460 -1.972 7.309 1.00 71.11 H new ATOM 0 HE1 PHE A 85 -2.794 -2.347 2.996 1.00 13.33 H new ATOM 0 HE2 PHE A 85 0.613 -3.130 5.433 1.00 54.00 H new ATOM 0 HZ PHE A 85 -0.553 -3.317 3.271 1.00 62.51 H new ATOM 540 N THR A 86 -2.554 -3.239 9.200 1.00 24.24 N ATOM 541 CA THR A 86 -1.976 -4.547 9.453 1.00 20.30 C ATOM 542 C THR A 86 -2.959 -5.446 10.180 1.00 32.25 C ATOM 543 O THR A 86 -2.915 -6.659 10.028 1.00 44.05 O ATOM 544 CB THR A 86 -0.595 -4.496 10.198 1.00 22.43 C ATOM 545 OG1 THR A 86 -0.098 -5.833 10.443 1.00 72.11 O ATOM 546 CG2 THR A 86 -0.695 -3.749 11.514 1.00 62.44 C ATOM 0 H THR A 86 -2.170 -2.483 9.768 1.00 24.24 H new ATOM 0 HA THR A 86 -1.767 -4.976 8.473 1.00 20.30 H new ATOM 0 HB THR A 86 0.099 -3.961 9.550 1.00 22.43 H new ATOM 0 HG1 THR A 86 0.764 -5.782 10.907 1.00 72.11 H new ATOM 0 HG21 THR A 86 0.281 -3.735 12.000 1.00 62.44 H new ATOM 0 HG22 THR A 86 -1.022 -2.726 11.328 1.00 62.44 H new ATOM 0 HG23 THR A 86 -1.416 -4.248 12.162 1.00 62.44 H new ATOM 554 N PHE A 87 -3.864 -4.842 10.917 1.00 42.33 N ATOM 555 CA PHE A 87 -4.868 -5.561 11.644 1.00 3.14 C ATOM 556 C PHE A 87 -5.798 -6.270 10.696 1.00 74.25 C ATOM 557 O PHE A 87 -5.910 -7.503 10.742 1.00 24.33 O ATOM 558 CB PHE A 87 -5.631 -4.618 12.611 1.00 42.35 C ATOM 559 CG PHE A 87 -6.844 -5.215 13.260 1.00 33.30 C ATOM 560 CD1 PHE A 87 -6.807 -6.489 13.797 1.00 20.11 C ATOM 561 CD2 PHE A 87 -8.006 -4.484 13.360 1.00 64.43 C ATOM 562 CE1 PHE A 87 -7.917 -7.022 14.418 1.00 61.51 C ATOM 563 CE2 PHE A 87 -9.123 -5.011 13.975 1.00 34.34 C ATOM 564 CZ PHE A 87 -9.077 -6.281 14.507 1.00 35.13 C ATOM 0 H PHE A 87 -3.918 -3.829 11.025 1.00 42.33 H new ATOM 0 HA PHE A 87 -4.381 -6.321 12.255 1.00 3.14 H new ATOM 0 HB2 PHE A 87 -4.944 -4.292 13.392 1.00 42.35 H new ATOM 0 HB3 PHE A 87 -5.934 -3.727 12.061 1.00 42.35 H new ATOM 0 HD1 PHE A 87 -5.900 -7.072 13.729 1.00 20.11 H new ATOM 0 HD2 PHE A 87 -8.044 -3.485 12.952 1.00 64.43 H new ATOM 0 HE1 PHE A 87 -7.878 -8.018 14.834 1.00 61.51 H new ATOM 0 HE2 PHE A 87 -10.031 -4.430 14.039 1.00 34.34 H new ATOM 0 HZ PHE A 87 -9.948 -6.696 14.993 1.00 35.13 H new ATOM 574 N HIS A 88 -6.408 -5.520 9.792 1.00 21.43 N ATOM 575 CA HIS A 88 -7.359 -6.109 8.875 1.00 13.35 C ATOM 576 C HIS A 88 -6.634 -7.029 7.891 1.00 4.30 C ATOM 577 O HIS A 88 -7.184 -8.014 7.427 1.00 71.30 O ATOM 578 CB HIS A 88 -8.245 -5.037 8.162 1.00 0.22 C ATOM 579 CG HIS A 88 -7.685 -4.399 6.907 1.00 62.15 C ATOM 580 ND1 HIS A 88 -7.056 -3.175 6.868 1.00 55.03 N ATOM 581 CD2 HIS A 88 -7.724 -4.846 5.624 1.00 61.34 C ATOM 582 CE1 HIS A 88 -6.739 -2.908 5.599 1.00 72.10 C ATOM 583 NE2 HIS A 88 -7.129 -3.917 4.775 1.00 3.12 N ATOM 0 H HIS A 88 -6.262 -4.517 9.677 1.00 21.43 H new ATOM 0 HA HIS A 88 -8.057 -6.717 9.451 1.00 13.35 H new ATOM 0 HB2 HIS A 88 -9.198 -5.501 7.909 1.00 0.22 H new ATOM 0 HB3 HIS A 88 -8.457 -4.243 8.878 1.00 0.22 H new ATOM 0 HD1 HIS A 88 -6.865 -2.575 7.671 1.00 55.03 H new ATOM 0 HD2 HIS A 88 -8.154 -5.785 5.309 1.00 61.34 H new ATOM 0 HE1 HIS A 88 -6.239 -2.009 5.270 1.00 72.10 H new ATOM 591 N VAL A 89 -5.380 -6.706 7.606 1.00 24.31 N ATOM 592 CA VAL A 89 -4.579 -7.512 6.714 1.00 52.01 C ATOM 593 C VAL A 89 -4.294 -8.844 7.349 1.00 5.05 C ATOM 594 O VAL A 89 -4.731 -9.839 6.864 1.00 23.32 O ATOM 595 CB VAL A 89 -3.249 -6.816 6.306 1.00 45.53 C ATOM 596 CG1 VAL A 89 -2.286 -7.788 5.630 1.00 22.23 C ATOM 597 CG2 VAL A 89 -3.516 -5.662 5.366 1.00 53.44 C ATOM 0 H VAL A 89 -4.901 -5.889 7.984 1.00 24.31 H new ATOM 0 HA VAL A 89 -5.155 -7.652 5.800 1.00 52.01 H new ATOM 0 HB VAL A 89 -2.791 -6.448 7.224 1.00 45.53 H new ATOM 0 HG11 VAL A 89 -1.369 -7.264 5.360 1.00 22.23 H new ATOM 0 HG12 VAL A 89 -2.050 -8.602 6.315 1.00 22.23 H new ATOM 0 HG13 VAL A 89 -2.750 -8.194 4.731 1.00 22.23 H new ATOM 0 HG21 VAL A 89 -2.573 -5.189 5.093 1.00 53.44 H new ATOM 0 HG22 VAL A 89 -4.010 -6.032 4.467 1.00 53.44 H new ATOM 0 HG23 VAL A 89 -4.158 -4.932 5.859 1.00 53.44 H new ATOM 607 N ASP A 90 -3.680 -8.828 8.510 1.00 54.21 N ATOM 608 CA ASP A 90 -3.233 -10.055 9.168 1.00 22.34 C ATOM 609 C ASP A 90 -4.425 -10.930 9.594 1.00 2.50 C ATOM 610 O ASP A 90 -4.298 -12.139 9.818 1.00 64.32 O ATOM 611 CB ASP A 90 -2.337 -9.695 10.353 1.00 14.23 C ATOM 612 CG ASP A 90 -1.778 -10.882 11.079 1.00 71.54 C ATOM 613 OD1 ASP A 90 -0.871 -11.554 10.548 1.00 24.15 O ATOM 614 OD2 ASP A 90 -2.196 -11.122 12.223 1.00 44.14 O ATOM 0 H ASP A 90 -3.473 -7.975 9.030 1.00 54.21 H new ATOM 0 HA ASP A 90 -2.653 -10.649 8.461 1.00 22.34 H new ATOM 0 HB2 ASP A 90 -1.512 -9.078 9.997 1.00 14.23 H new ATOM 0 HB3 ASP A 90 -2.908 -9.088 11.056 1.00 14.23 H new ATOM 619 N SER A 91 -5.575 -10.317 9.662 1.00 55.41 N ATOM 620 CA SER A 91 -6.787 -11.015 9.975 1.00 23.11 C ATOM 621 C SER A 91 -7.405 -11.616 8.705 1.00 13.33 C ATOM 622 O SER A 91 -7.686 -12.817 8.652 1.00 10.44 O ATOM 623 CB SER A 91 -7.788 -10.054 10.645 1.00 35.20 C ATOM 624 OG SER A 91 -9.004 -10.711 11.015 1.00 1.44 O ATOM 0 H SER A 91 -5.696 -9.317 9.501 1.00 55.41 H new ATOM 0 HA SER A 91 -6.554 -11.826 10.664 1.00 23.11 H new ATOM 0 HB2 SER A 91 -7.330 -9.615 11.531 1.00 35.20 H new ATOM 0 HB3 SER A 91 -8.013 -9.234 9.963 1.00 35.20 H new ATOM 0 HG SER A 91 -9.614 -10.726 10.248 1.00 1.44 H new ATOM 630 N GLU A 92 -7.556 -10.811 7.670 1.00 11.55 N ATOM 631 CA GLU A 92 -8.322 -11.249 6.512 1.00 41.33 C ATOM 632 C GLU A 92 -7.447 -11.779 5.389 1.00 33.43 C ATOM 633 O GLU A 92 -7.724 -12.841 4.815 1.00 42.03 O ATOM 634 CB GLU A 92 -9.219 -10.119 6.017 1.00 11.41 C ATOM 635 CG GLU A 92 -10.139 -9.554 7.099 1.00 65.11 C ATOM 636 CD GLU A 92 -10.970 -10.623 7.763 1.00 33.20 C ATOM 637 OE1 GLU A 92 -11.802 -11.262 7.070 1.00 31.41 O ATOM 638 OE2 GLU A 92 -10.819 -10.845 8.992 1.00 40.10 O ATOM 0 H GLU A 92 -7.169 -9.870 7.604 1.00 11.55 H new ATOM 0 HA GLU A 92 -8.942 -12.085 6.836 1.00 41.33 H new ATOM 0 HB2 GLU A 92 -8.595 -9.315 5.625 1.00 11.41 H new ATOM 0 HB3 GLU A 92 -9.826 -10.484 5.189 1.00 11.41 H new ATOM 0 HG2 GLU A 92 -9.539 -9.044 7.852 1.00 65.11 H new ATOM 0 HG3 GLU A 92 -10.799 -8.807 6.657 1.00 65.11 H new ATOM 645 N HIS A 93 -6.393 -11.076 5.103 1.00 52.13 N ATOM 646 CA HIS A 93 -5.481 -11.416 4.035 1.00 22.32 C ATOM 647 C HIS A 93 -4.020 -11.336 4.491 1.00 22.41 C ATOM 648 O HIS A 93 -3.276 -10.465 4.049 1.00 75.34 O ATOM 649 CB HIS A 93 -5.727 -10.530 2.787 1.00 61.35 C ATOM 650 CG HIS A 93 -6.247 -9.114 3.054 1.00 54.30 C ATOM 651 ND1 HIS A 93 -7.584 -8.796 3.060 1.00 44.41 N ATOM 652 CD2 HIS A 93 -5.587 -7.938 3.310 1.00 61.03 C ATOM 653 CE1 HIS A 93 -7.721 -7.505 3.311 1.00 11.23 C ATOM 654 NE2 HIS A 93 -6.529 -6.896 3.475 1.00 71.45 N ATOM 0 H HIS A 93 -6.131 -10.231 5.612 1.00 52.13 H new ATOM 0 HA HIS A 93 -5.678 -12.451 3.756 1.00 22.32 H new ATOM 0 HB2 HIS A 93 -4.792 -10.453 2.232 1.00 61.35 H new ATOM 0 HB3 HIS A 93 -6.440 -11.040 2.140 1.00 61.35 H new ATOM 0 HD1 HIS A 93 -8.349 -9.451 2.897 1.00 44.41 H new ATOM 0 HD2 HIS A 93 -4.515 -7.826 3.375 1.00 61.03 H new ATOM 0 HE1 HIS A 93 -8.673 -6.999 3.377 1.00 11.23 H new ATOM 755 N SER A 100 4.178 -9.700 -9.222 1.00 52.23 N ATOM 756 CA SER A 100 5.007 -8.544 -8.935 1.00 65.14 C ATOM 757 C SER A 100 4.215 -7.342 -8.424 1.00 5.43 C ATOM 758 O SER A 100 3.146 -6.996 -8.964 1.00 54.24 O ATOM 759 CB SER A 100 5.791 -8.186 -10.202 1.00 3.55 C ATOM 760 OG SER A 100 4.924 -8.154 -11.344 1.00 13.11 O ATOM 0 HA SER A 100 5.686 -8.807 -8.124 1.00 65.14 H new ATOM 0 HB2 SER A 100 6.271 -7.215 -10.076 1.00 3.55 H new ATOM 0 HB3 SER A 100 6.585 -8.916 -10.362 1.00 3.55 H new ATOM 0 HG SER A 100 4.197 -8.800 -11.221 1.00 13.11 H new ATOM 766 N SER A 101 4.731 -6.714 -7.389 1.00 55.13 N ATOM 767 CA SER A 101 4.134 -5.546 -6.824 1.00 22.22 C ATOM 768 C SER A 101 5.189 -4.817 -6.011 1.00 25.12 C ATOM 769 O SER A 101 6.309 -5.340 -5.825 1.00 34.30 O ATOM 770 CB SER A 101 2.912 -5.935 -5.968 1.00 11.53 C ATOM 771 OG SER A 101 2.212 -4.814 -5.461 1.00 74.15 O ATOM 0 H SER A 101 5.586 -7.012 -6.919 1.00 55.13 H new ATOM 0 HA SER A 101 3.773 -4.880 -7.608 1.00 22.22 H new ATOM 0 HB2 SER A 101 2.232 -6.540 -6.569 1.00 11.53 H new ATOM 0 HB3 SER A 101 3.241 -6.557 -5.136 1.00 11.53 H new ATOM 0 HG SER A 101 1.345 -4.738 -5.912 1.00 74.15 H new ATOM 777 N TYR A 102 4.850 -3.643 -5.569 1.00 31.12 N ATOM 778 CA TYR A 102 5.707 -2.792 -4.807 1.00 14.04 C ATOM 779 C TYR A 102 5.086 -2.500 -3.461 1.00 3.14 C ATOM 780 O TYR A 102 3.864 -2.300 -3.348 1.00 60.13 O ATOM 781 CB TYR A 102 5.922 -1.493 -5.533 1.00 51.45 C ATOM 782 CG TYR A 102 7.094 -1.408 -6.499 1.00 23.21 C ATOM 783 CD1 TYR A 102 7.502 -2.478 -7.284 1.00 24.50 C ATOM 784 CD2 TYR A 102 7.780 -0.212 -6.630 1.00 35.14 C ATOM 785 CE1 TYR A 102 8.563 -2.347 -8.168 1.00 44.10 C ATOM 786 CE2 TYR A 102 8.835 -0.076 -7.502 1.00 63.42 C ATOM 787 CZ TYR A 102 9.224 -1.141 -8.266 1.00 2.40 C ATOM 788 OH TYR A 102 10.278 -0.994 -9.142 1.00 64.01 O ATOM 0 H TYR A 102 3.930 -3.237 -5.738 1.00 31.12 H new ATOM 0 HA TYR A 102 6.662 -3.299 -4.669 1.00 14.04 H new ATOM 0 HB2 TYR A 102 5.012 -1.265 -6.089 1.00 51.45 H new ATOM 0 HB3 TYR A 102 6.045 -0.708 -4.787 1.00 51.45 H new ATOM 0 HD1 TYR A 102 6.987 -3.424 -7.205 1.00 24.50 H new ATOM 0 HD2 TYR A 102 7.479 0.636 -6.032 1.00 35.14 H new ATOM 0 HE1 TYR A 102 8.870 -3.185 -8.776 1.00 44.10 H new ATOM 0 HE2 TYR A 102 9.354 0.868 -7.583 1.00 63.42 H new ATOM 0 HH TYR A 102 10.627 -0.080 -9.083 1.00 64.01 H new ATOM 798 N VAL A 103 5.911 -2.472 -2.461 1.00 0.44 N ATOM 799 CA VAL A 103 5.484 -2.221 -1.109 1.00 61.01 C ATOM 800 C VAL A 103 6.417 -1.193 -0.443 1.00 62.54 C ATOM 801 O VAL A 103 7.607 -1.161 -0.702 1.00 54.54 O ATOM 802 CB VAL A 103 5.497 -3.569 -0.323 1.00 60.30 C ATOM 803 CG1 VAL A 103 6.830 -4.142 -0.330 1.00 64.22 C ATOM 804 CG2 VAL A 103 5.045 -3.452 1.093 1.00 51.32 C ATOM 0 H VAL A 103 6.915 -2.624 -2.556 1.00 0.44 H new ATOM 0 HA VAL A 103 4.474 -1.810 -1.106 1.00 61.01 H new ATOM 0 HB VAL A 103 4.785 -4.211 -0.841 1.00 60.30 H new ATOM 0 HG11 VAL A 103 6.825 -5.082 0.222 1.00 64.22 H new ATOM 0 HG12 VAL A 103 7.141 -4.326 -1.358 1.00 64.22 H new ATOM 0 HG13 VAL A 103 7.527 -3.449 0.141 1.00 64.22 H new ATOM 0 HG21 VAL A 103 5.083 -4.432 1.569 1.00 51.32 H new ATOM 0 HG22 VAL A 103 5.699 -2.763 1.628 1.00 51.32 H new ATOM 0 HG23 VAL A 103 4.022 -3.076 1.119 1.00 51.32 H new ATOM 814 N CYS A 104 5.871 -0.346 0.379 1.00 3.45 N ATOM 815 CA CYS A 104 6.679 0.594 1.140 1.00 50.42 C ATOM 816 C CYS A 104 7.119 -0.145 2.340 1.00 22.13 C ATOM 817 O CYS A 104 6.323 -0.387 3.176 1.00 12.35 O ATOM 818 CB CYS A 104 5.825 1.833 1.545 1.00 63.55 C ATOM 819 SG CYS A 104 6.580 3.106 2.729 1.00 13.23 S ATOM 0 H CYS A 104 4.867 -0.278 0.548 1.00 3.45 H new ATOM 0 HA CYS A 104 7.526 0.964 0.562 1.00 50.42 H new ATOM 0 HB2 CYS A 104 5.546 2.356 0.630 1.00 63.55 H new ATOM 0 HB3 CYS A 104 4.903 1.467 1.997 1.00 63.55 H new ATOM 0 HG CYS A 104 6.007 3.011 3.892 1.00 13.23 H new ATOM 824 N VAL A 105 8.367 -0.568 2.388 1.00 2.43 N ATOM 825 CA VAL A 105 8.909 -1.329 3.527 1.00 73.14 C ATOM 826 C VAL A 105 8.753 -0.566 4.815 1.00 21.21 C ATOM 827 O VAL A 105 8.621 -1.152 5.878 1.00 14.31 O ATOM 828 CB VAL A 105 10.403 -1.612 3.380 1.00 62.44 C ATOM 829 CG1 VAL A 105 10.704 -3.017 3.670 1.00 14.11 C ATOM 830 CG2 VAL A 105 10.922 -1.245 2.049 1.00 53.41 C ATOM 0 H VAL A 105 9.045 -0.400 1.644 1.00 2.43 H new ATOM 0 HA VAL A 105 8.345 -2.262 3.542 1.00 73.14 H new ATOM 0 HB VAL A 105 10.909 -0.982 4.111 1.00 62.44 H new ATOM 0 HG11 VAL A 105 11.774 -3.190 3.558 1.00 14.11 H new ATOM 0 HG12 VAL A 105 10.404 -3.250 4.692 1.00 14.11 H new ATOM 0 HG13 VAL A 105 10.158 -3.657 2.977 1.00 14.11 H new ATOM 0 HG21 VAL A 105 11.988 -1.467 2.000 1.00 53.41 H new ATOM 0 HG22 VAL A 105 10.397 -1.816 1.283 1.00 53.41 H new ATOM 0 HG23 VAL A 105 10.765 -0.180 1.878 1.00 53.41 H new ATOM 840 N GLU A 106 8.762 0.745 4.699 1.00 43.11 N ATOM 841 CA GLU A 106 8.656 1.619 5.839 1.00 12.30 C ATOM 842 C GLU A 106 7.290 1.439 6.489 1.00 62.54 C ATOM 843 O GLU A 106 7.147 1.488 7.700 1.00 55.52 O ATOM 844 CB GLU A 106 8.816 3.078 5.399 1.00 4.34 C ATOM 845 CG GLU A 106 10.001 3.344 4.471 1.00 33.24 C ATOM 846 CD GLU A 106 11.362 3.101 5.091 1.00 63.13 C ATOM 847 OE1 GLU A 106 11.491 2.247 6.013 1.00 44.41 O ATOM 848 OE2 GLU A 106 12.325 3.739 4.642 1.00 25.25 O ATOM 0 H GLU A 106 8.843 1.232 3.807 1.00 43.11 H new ATOM 0 HA GLU A 106 9.442 1.370 6.552 1.00 12.30 H new ATOM 0 HB2 GLU A 106 7.902 3.393 4.896 1.00 4.34 H new ATOM 0 HB3 GLU A 106 8.922 3.701 6.287 1.00 4.34 H new ATOM 0 HG2 GLU A 106 9.902 2.712 3.588 1.00 33.24 H new ATOM 0 HG3 GLU A 106 9.952 4.378 4.130 1.00 33.24 H new ATOM 855 N CYS A 107 6.299 1.244 5.650 1.00 24.25 N ATOM 856 CA CYS A 107 4.922 1.075 6.116 1.00 35.53 C ATOM 857 C CYS A 107 4.456 -0.387 6.021 1.00 51.53 C ATOM 858 O CYS A 107 3.415 -0.743 6.549 1.00 61.30 O ATOM 859 CB CYS A 107 4.025 1.935 5.256 1.00 42.55 C ATOM 860 SG CYS A 107 4.670 3.632 5.008 1.00 65.12 S ATOM 0 H CYS A 107 6.410 1.197 4.637 1.00 24.25 H new ATOM 0 HA CYS A 107 4.873 1.369 7.164 1.00 35.53 H new ATOM 0 HB2 CYS A 107 3.897 1.457 4.285 1.00 42.55 H new ATOM 0 HB3 CYS A 107 3.038 1.992 5.716 1.00 42.55 H new ATOM 0 HG CYS A 107 4.895 3.830 3.743 1.00 65.12 H new ATOM 865 N ASN A 108 5.245 -1.199 5.334 1.00 64.52 N ATOM 866 CA ASN A 108 4.916 -2.585 5.000 1.00 35.12 C ATOM 867 C ASN A 108 3.539 -2.676 4.319 1.00 41.52 C ATOM 868 O ASN A 108 2.728 -3.542 4.644 1.00 70.21 O ATOM 869 CB ASN A 108 4.973 -3.457 6.239 1.00 64.31 C ATOM 870 CG ASN A 108 6.364 -3.765 6.738 1.00 25.14 C ATOM 871 OD1 ASN A 108 7.305 -3.949 5.847 1.00 73.35 O flip ATOM 872 ND2 ASN A 108 6.580 -3.885 7.938 1.00 74.11 N flip ATOM 0 H ASN A 108 6.157 -0.909 4.982 1.00 64.52 H new ATOM 0 HA ASN A 108 5.659 -2.953 4.292 1.00 35.12 H new ATOM 0 HB2 ASN A 108 4.417 -2.965 7.037 1.00 64.31 H new ATOM 0 HB3 ASN A 108 4.463 -4.397 6.028 1.00 64.31 H new ATOM 0 HD21 ASN A 108 5.827 -3.735 8.609 1.00 74.11 H new ATOM 0 HD22 ASN A 108 7.513 -4.135 8.266 1.00 74.11 H new ATOM 879 N PHE A 109 3.341 -1.862 3.282 1.00 10.04 N ATOM 880 CA PHE A 109 2.036 -1.773 2.636 1.00 2.12 C ATOM 881 C PHE A 109 2.179 -1.993 1.133 1.00 22.15 C ATOM 882 O PHE A 109 2.988 -1.317 0.468 1.00 30.23 O ATOM 883 CB PHE A 109 1.320 -0.419 2.969 1.00 51.54 C ATOM 884 CG PHE A 109 1.246 0.601 1.844 1.00 74.11 C ATOM 885 CD1 PHE A 109 0.196 0.570 0.945 1.00 51.45 C ATOM 886 CD2 PHE A 109 2.213 1.567 1.691 1.00 22.31 C ATOM 887 CE1 PHE A 109 0.111 1.480 -0.083 1.00 34.14 C ATOM 888 CE2 PHE A 109 2.133 2.490 0.655 1.00 1.14 C ATOM 889 CZ PHE A 109 1.079 2.444 -0.228 1.00 42.24 C ATOM 0 H PHE A 109 4.060 -1.262 2.877 1.00 10.04 H new ATOM 0 HA PHE A 109 1.398 -2.563 3.032 1.00 2.12 H new ATOM 0 HB2 PHE A 109 0.304 -0.641 3.296 1.00 51.54 H new ATOM 0 HB3 PHE A 109 1.834 0.040 3.814 1.00 51.54 H new ATOM 0 HD1 PHE A 109 -0.571 -0.182 1.052 1.00 51.45 H new ATOM 0 HD2 PHE A 109 3.042 1.609 2.382 1.00 22.31 H new ATOM 0 HE1 PHE A 109 -0.716 1.437 -0.776 1.00 34.14 H new ATOM 0 HE2 PHE A 109 2.898 3.244 0.543 1.00 1.14 H new ATOM 0 HZ PHE A 109 1.013 3.163 -1.032 1.00 42.24 H new ATOM 899 N LEU A 110 1.453 -2.955 0.631 1.00 25.34 N ATOM 900 CA LEU A 110 1.471 -3.319 -0.778 1.00 75.00 C ATOM 901 C LEU A 110 0.344 -2.626 -1.482 1.00 20.13 C ATOM 902 O LEU A 110 -0.754 -2.643 -0.990 1.00 21.40 O ATOM 903 CB LEU A 110 1.305 -4.833 -0.935 1.00 3.35 C ATOM 904 CG LEU A 110 2.571 -5.668 -1.040 1.00 65.45 C ATOM 905 CD1 LEU A 110 2.211 -7.126 -0.930 1.00 53.10 C ATOM 906 CD2 LEU A 110 3.232 -5.421 -2.390 1.00 64.22 C ATOM 0 H LEU A 110 0.818 -3.524 1.191 1.00 25.34 H new ATOM 0 HA LEU A 110 2.425 -3.017 -1.211 1.00 75.00 H new ATOM 0 HB2 LEU A 110 0.730 -5.199 -0.085 1.00 3.35 H new ATOM 0 HB3 LEU A 110 0.706 -5.016 -1.827 1.00 3.35 H new ATOM 0 HG LEU A 110 3.257 -5.392 -0.240 1.00 65.45 H new ATOM 0 HD11 LEU A 110 3.115 -7.731 -1.005 1.00 53.10 H new ATOM 0 HD12 LEU A 110 1.729 -7.310 0.030 1.00 53.10 H new ATOM 0 HD13 LEU A 110 1.528 -7.394 -1.736 1.00 53.10 H new ATOM 0 HD21 LEU A 110 4.140 -6.020 -2.466 1.00 64.22 H new ATOM 0 HD22 LEU A 110 2.545 -5.701 -3.188 1.00 64.22 H new ATOM 0 HD23 LEU A 110 3.485 -4.365 -2.483 1.00 64.22 H new ATOM 918 N THR A 111 0.608 -2.077 -2.634 1.00 30.51 N ATOM 919 CA THR A 111 -0.395 -1.296 -3.365 1.00 51.23 C ATOM 920 C THR A 111 -0.643 -1.837 -4.768 1.00 2.55 C ATOM 921 O THR A 111 0.244 -2.460 -5.374 1.00 65.03 O ATOM 922 CB THR A 111 0.011 0.209 -3.404 1.00 5.13 C ATOM 923 OG1 THR A 111 -0.546 0.911 -4.540 1.00 22.10 O ATOM 924 CG2 THR A 111 1.518 0.370 -3.375 1.00 60.13 C ATOM 0 H THR A 111 1.511 -2.147 -3.104 1.00 30.51 H new ATOM 0 HA THR A 111 -1.338 -1.390 -2.826 1.00 51.23 H new ATOM 0 HB THR A 111 -0.411 0.662 -2.507 1.00 5.13 H new ATOM 0 HG1 THR A 111 0.166 1.109 -5.184 1.00 22.10 H new ATOM 0 HG21 THR A 111 1.771 1.430 -3.403 1.00 60.13 H new ATOM 0 HG22 THR A 111 1.914 -0.073 -2.461 1.00 60.13 H new ATOM 0 HG23 THR A 111 1.954 -0.130 -4.240 1.00 60.13 H new ATOM 932 N LYS A 112 -1.851 -1.591 -5.296 1.00 44.31 N ATOM 933 CA LYS A 112 -2.220 -2.052 -6.629 1.00 12.21 C ATOM 934 C LYS A 112 -1.473 -1.282 -7.715 1.00 21.42 C ATOM 935 O LYS A 112 -1.350 -1.751 -8.856 1.00 1.14 O ATOM 936 CB LYS A 112 -3.736 -1.969 -6.868 1.00 51.01 C ATOM 937 CG LYS A 112 -4.556 -2.899 -5.994 1.00 23.45 C ATOM 938 CD LYS A 112 -6.038 -2.831 -6.330 1.00 61.35 C ATOM 939 CE LYS A 112 -6.844 -3.834 -5.506 1.00 61.24 C ATOM 940 NZ LYS A 112 -8.295 -3.759 -5.802 1.00 30.53 N ATOM 0 H LYS A 112 -2.586 -1.074 -4.814 1.00 44.31 H new ATOM 0 HA LYS A 112 -1.928 -3.101 -6.686 1.00 12.21 H new ATOM 0 HB2 LYS A 112 -4.064 -0.944 -6.696 1.00 51.01 H new ATOM 0 HB3 LYS A 112 -3.940 -2.198 -7.914 1.00 51.01 H new ATOM 0 HG2 LYS A 112 -4.202 -3.922 -6.120 1.00 23.45 H new ATOM 0 HG3 LYS A 112 -4.409 -2.637 -4.946 1.00 23.45 H new ATOM 0 HD2 LYS A 112 -6.409 -1.823 -6.143 1.00 61.35 H new ATOM 0 HD3 LYS A 112 -6.181 -3.032 -7.392 1.00 61.35 H new ATOM 0 HE2 LYS A 112 -6.484 -4.843 -5.710 1.00 61.24 H new ATOM 0 HE3 LYS A 112 -6.680 -3.646 -4.445 1.00 61.24 H new ATOM 0 HZ1 LYS A 112 -8.783 -4.561 -5.354 1.00 30.53 H new ATOM 0 HZ2 LYS A 112 -8.680 -2.868 -5.429 1.00 30.53 H new ATOM 0 HZ3 LYS A 112 -8.442 -3.795 -6.831 1.00 30.53 H new ATOM 954 N ARG A 113 -0.968 -0.110 -7.376 1.00 15.50 N ATOM 955 CA ARG A 113 -0.202 0.664 -8.339 1.00 42.11 C ATOM 956 C ARG A 113 1.121 1.100 -7.765 1.00 24.10 C ATOM 957 O ARG A 113 1.207 1.487 -6.587 1.00 0.31 O ATOM 958 CB ARG A 113 -0.956 1.883 -8.932 1.00 1.14 C ATOM 959 CG ARG A 113 -1.308 3.021 -7.966 1.00 63.30 C ATOM 960 CD ARG A 113 -2.465 2.674 -7.064 1.00 32.12 C ATOM 961 NE ARG A 113 -3.669 2.342 -7.853 1.00 11.44 N ATOM 962 CZ ARG A 113 -4.736 1.672 -7.397 1.00 54.23 C ATOM 963 NH1 ARG A 113 -4.778 1.278 -6.152 1.00 45.53 N ATOM 964 NH2 ARG A 113 -5.757 1.419 -8.211 1.00 15.04 N ATOM 0 H ARG A 113 -1.071 0.322 -6.458 1.00 15.50 H new ATOM 0 HA ARG A 113 -0.032 -0.019 -9.171 1.00 42.11 H new ATOM 0 HB2 ARG A 113 -0.349 2.298 -9.737 1.00 1.14 H new ATOM 0 HB3 ARG A 113 -1.881 1.523 -9.383 1.00 1.14 H new ATOM 0 HG2 ARG A 113 -0.436 3.260 -7.358 1.00 63.30 H new ATOM 0 HG3 ARG A 113 -1.553 3.916 -8.538 1.00 63.30 H new ATOM 0 HD2 ARG A 113 -2.196 1.829 -6.430 1.00 32.12 H new ATOM 0 HD3 ARG A 113 -2.679 3.513 -6.402 1.00 32.12 H new ATOM 0 HE ARG A 113 -3.690 2.648 -8.826 1.00 11.44 H new ATOM 0 HH11 ARG A 113 -3.998 1.480 -5.526 1.00 45.53 H new ATOM 0 HH12 ARG A 113 -5.591 0.768 -5.806 1.00 45.53 H new ATOM 0 HH21 ARG A 113 -5.727 1.735 -9.180 1.00 15.04 H new ATOM 0 HH22 ARG A 113 -6.570 0.909 -7.866 1.00 15.04 H new ATOM 978 N TYR A 114 2.142 1.055 -8.604 1.00 53.11 N ATOM 979 CA TYR A 114 3.508 1.441 -8.252 1.00 21.53 C ATOM 980 C TYR A 114 3.578 2.918 -7.848 1.00 62.42 C ATOM 981 O TYR A 114 4.479 3.329 -7.120 1.00 74.32 O ATOM 982 CB TYR A 114 4.455 1.173 -9.438 1.00 65.13 C ATOM 983 CG TYR A 114 4.158 2.010 -10.677 1.00 2.43 C ATOM 984 CD1 TYR A 114 3.167 1.638 -11.578 1.00 32.13 C ATOM 985 CD2 TYR A 114 4.874 3.175 -10.939 1.00 51.31 C ATOM 986 CE1 TYR A 114 2.902 2.398 -12.697 1.00 14.40 C ATOM 987 CE2 TYR A 114 4.610 3.937 -12.055 1.00 22.20 C ATOM 988 CZ TYR A 114 3.624 3.545 -12.930 1.00 23.51 C ATOM 989 OH TYR A 114 3.367 4.299 -14.055 1.00 3.12 O ATOM 0 H TYR A 114 2.048 0.743 -9.571 1.00 53.11 H new ATOM 0 HA TYR A 114 3.821 0.840 -7.398 1.00 21.53 H new ATOM 0 HB2 TYR A 114 5.480 1.365 -9.121 1.00 65.13 H new ATOM 0 HB3 TYR A 114 4.396 0.118 -9.704 1.00 65.13 H new ATOM 0 HD1 TYR A 114 2.596 0.739 -11.398 1.00 32.13 H new ATOM 0 HD2 TYR A 114 5.650 3.486 -10.255 1.00 51.31 H new ATOM 0 HE1 TYR A 114 2.130 2.094 -13.388 1.00 14.40 H new ATOM 0 HE2 TYR A 114 5.175 4.838 -12.242 1.00 22.20 H new ATOM 0 HH TYR A 114 3.963 5.077 -14.070 1.00 3.12 H new ATOM 999 N ASP A 115 2.612 3.695 -8.335 1.00 45.12 N ATOM 1000 CA ASP A 115 2.500 5.129 -8.046 1.00 21.42 C ATOM 1001 C ASP A 115 2.569 5.399 -6.597 1.00 21.10 C ATOM 1002 O ASP A 115 3.343 6.214 -6.177 1.00 43.11 O ATOM 1003 CB ASP A 115 1.169 5.697 -8.505 1.00 11.24 C ATOM 1004 CG ASP A 115 0.926 5.718 -9.969 1.00 61.10 C ATOM 1005 OD1 ASP A 115 0.853 4.640 -10.585 1.00 24.43 O ATOM 1006 OD2 ASP A 115 0.665 6.806 -10.495 1.00 1.12 O ATOM 0 H ASP A 115 1.876 3.346 -8.948 1.00 45.12 H new ATOM 0 HA ASP A 115 3.331 5.592 -8.578 1.00 21.42 H new ATOM 0 HB2 ASP A 115 0.372 5.120 -8.035 1.00 11.24 H new ATOM 0 HB3 ASP A 115 1.087 6.718 -8.131 1.00 11.24 H new ATOM 1011 N ALA A 116 1.810 4.645 -5.827 1.00 73.44 N ATOM 1012 CA ALA A 116 1.629 4.906 -4.416 1.00 73.32 C ATOM 1013 C ALA A 116 2.943 4.913 -3.637 1.00 4.34 C ATOM 1014 O ALA A 116 3.010 5.465 -2.560 1.00 15.30 O ATOM 1015 CB ALA A 116 0.650 3.919 -3.837 1.00 64.11 C ATOM 0 H ALA A 116 1.299 3.830 -6.166 1.00 73.44 H new ATOM 0 HA ALA A 116 1.223 5.913 -4.318 1.00 73.32 H new ATOM 0 HB1 ALA A 116 0.517 4.120 -2.774 1.00 64.11 H new ATOM 0 HB2 ALA A 116 -0.308 4.015 -4.347 1.00 64.11 H new ATOM 0 HB3 ALA A 116 1.032 2.907 -3.970 1.00 64.11 H new ATOM 1021 N LEU A 117 3.964 4.270 -4.178 1.00 14.21 N ATOM 1022 CA LEU A 117 5.295 4.253 -3.578 1.00 43.12 C ATOM 1023 C LEU A 117 6.085 5.486 -3.982 1.00 53.14 C ATOM 1024 O LEU A 117 6.859 6.030 -3.207 1.00 23.12 O ATOM 1025 CB LEU A 117 6.089 3.022 -3.987 1.00 42.45 C ATOM 1026 CG LEU A 117 5.470 1.661 -3.694 1.00 3.13 C ATOM 1027 CD1 LEU A 117 4.891 1.604 -2.297 1.00 41.01 C ATOM 1028 CD2 LEU A 117 4.445 1.305 -4.734 1.00 50.11 C ATOM 0 H LEU A 117 3.897 3.742 -5.048 1.00 14.21 H new ATOM 0 HA LEU A 117 5.146 4.237 -2.498 1.00 43.12 H new ATOM 0 HB2 LEU A 117 6.277 3.083 -5.059 1.00 42.45 H new ATOM 0 HB3 LEU A 117 7.058 3.066 -3.490 1.00 42.45 H new ATOM 0 HG LEU A 117 6.264 0.915 -3.741 1.00 3.13 H new ATOM 0 HD11 LEU A 117 4.458 0.619 -2.123 1.00 41.01 H new ATOM 0 HD12 LEU A 117 5.680 1.788 -1.568 1.00 41.01 H new ATOM 0 HD13 LEU A 117 4.117 2.364 -2.193 1.00 41.01 H new ATOM 0 HD21 LEU A 117 4.017 0.329 -4.504 1.00 50.11 H new ATOM 0 HD22 LEU A 117 3.655 2.056 -4.738 1.00 50.11 H new ATOM 0 HD23 LEU A 117 4.919 1.271 -5.715 1.00 50.11 H new ATOM 1040 N SER A 118 5.882 5.907 -5.199 1.00 1.11 N ATOM 1041 CA SER A 118 6.568 7.051 -5.767 1.00 31.33 C ATOM 1042 C SER A 118 6.024 8.336 -5.182 1.00 45.02 C ATOM 1043 O SER A 118 6.759 9.263 -4.863 1.00 4.13 O ATOM 1044 CB SER A 118 6.313 7.034 -7.250 1.00 61.03 C ATOM 1045 OG SER A 118 7.039 6.006 -7.901 1.00 13.44 O ATOM 0 H SER A 118 5.226 5.463 -5.841 1.00 1.11 H new ATOM 0 HA SER A 118 7.634 6.999 -5.547 1.00 31.33 H new ATOM 0 HB2 SER A 118 5.247 6.897 -7.433 1.00 61.03 H new ATOM 0 HB3 SER A 118 6.589 7.999 -7.676 1.00 61.03 H new ATOM 0 HG SER A 118 6.846 6.027 -8.861 1.00 13.44 H new ATOM 1051 N GLU A 119 4.748 8.385 -5.076 1.00 0.22 N ATOM 1052 CA GLU A 119 4.070 9.513 -4.508 1.00 15.41 C ATOM 1053 C GLU A 119 4.171 9.442 -2.997 1.00 1.23 C ATOM 1054 O GLU A 119 3.959 10.405 -2.317 1.00 53.20 O ATOM 1055 CB GLU A 119 2.615 9.560 -4.936 1.00 40.43 C ATOM 1056 CG GLU A 119 2.386 8.941 -6.292 1.00 51.31 C ATOM 1057 CD GLU A 119 0.984 9.089 -6.816 1.00 24.44 C ATOM 1058 OE1 GLU A 119 0.078 8.433 -6.300 1.00 33.13 O ATOM 1059 OE2 GLU A 119 0.766 9.864 -7.766 1.00 54.43 O ATOM 0 H GLU A 119 4.127 7.637 -5.383 1.00 0.22 H new ATOM 0 HA GLU A 119 4.546 10.424 -4.869 1.00 15.41 H new ATOM 0 HB2 GLU A 119 2.006 9.040 -4.196 1.00 40.43 H new ATOM 0 HB3 GLU A 119 2.279 10.597 -4.953 1.00 40.43 H new ATOM 0 HG2 GLU A 119 3.076 9.392 -7.005 1.00 51.31 H new ATOM 0 HG3 GLU A 119 2.631 7.880 -6.239 1.00 51.31 H new ATOM 1066 N HIS A 120 4.447 8.269 -2.496 1.00 54.31 N ATOM 1067 CA HIS A 120 4.532 8.010 -1.053 1.00 71.34 C ATOM 1068 C HIS A 120 5.417 9.040 -0.335 1.00 20.42 C ATOM 1069 O HIS A 120 4.965 9.721 0.488 1.00 33.45 O ATOM 1070 CB HIS A 120 5.054 6.627 -0.807 1.00 33.32 C ATOM 1071 CG HIS A 120 4.703 6.066 0.503 1.00 70.23 C ATOM 1072 ND1 HIS A 120 3.469 5.548 0.813 1.00 60.51 N ATOM 1073 CD2 HIS A 120 5.439 5.939 1.574 1.00 64.11 C ATOM 1074 CE1 HIS A 120 3.500 5.126 2.070 1.00 35.30 C ATOM 1075 NE2 HIS A 120 4.700 5.336 2.598 1.00 64.30 N ATOM 0 H HIS A 120 4.624 7.445 -3.071 1.00 54.31 H new ATOM 0 HA HIS A 120 3.525 8.098 -0.645 1.00 71.34 H new ATOM 0 HB2 HIS A 120 4.673 5.965 -1.585 1.00 33.32 H new ATOM 0 HB3 HIS A 120 6.140 6.640 -0.903 1.00 33.32 H new ATOM 0 HD2 HIS A 120 6.469 6.254 1.657 1.00 64.11 H new ATOM 0 HE1 HIS A 120 2.668 4.676 2.590 1.00 35.30 H new ATOM 0 HE2 HIS A 120 5.014 5.108 3.541 1.00 64.30 H new ATOM 1083 N ASN A 121 6.649 9.153 -0.699 1.00 12.14 N ATOM 1084 CA ASN A 121 7.581 10.158 -0.125 1.00 11.25 C ATOM 1085 C ASN A 121 7.199 11.589 -0.513 1.00 73.35 C ATOM 1086 O ASN A 121 7.707 12.561 0.012 1.00 2.35 O ATOM 1087 CB ASN A 121 9.038 9.831 -0.434 1.00 35.30 C ATOM 1088 CG ASN A 121 9.354 9.652 -1.892 1.00 4.31 C ATOM 1089 OD1 ASN A 121 8.514 9.304 -2.699 1.00 51.43 O ATOM 1090 ND2 ASN A 121 10.575 9.782 -2.211 1.00 51.45 N ATOM 0 H ASN A 121 7.076 8.559 -1.410 1.00 12.14 H new ATOM 0 HA ASN A 121 7.480 10.102 0.959 1.00 11.25 H new ATOM 0 HB2 ASN A 121 9.666 10.629 -0.037 1.00 35.30 H new ATOM 0 HB3 ASN A 121 9.310 8.918 0.096 1.00 35.30 H new ATOM 0 HD21 ASN A 121 10.875 9.593 -3.167 1.00 51.45 H new ATOM 0 HD22 ASN A 121 11.256 10.076 -1.511 1.00 51.45 H new ATOM 1097 N LEU A 122 6.378 11.697 -1.495 1.00 62.20 N ATOM 1098 CA LEU A 122 5.858 12.971 -1.923 1.00 63.34 C ATOM 1099 C LEU A 122 4.777 13.452 -0.925 1.00 71.32 C ATOM 1100 O LEU A 122 4.867 14.546 -0.367 1.00 63.03 O ATOM 1101 CB LEU A 122 5.314 12.831 -3.376 1.00 10.44 C ATOM 1102 CG LEU A 122 4.184 13.766 -3.831 1.00 61.23 C ATOM 1103 CD1 LEU A 122 4.591 15.223 -3.752 1.00 35.32 C ATOM 1104 CD2 LEU A 122 3.754 13.424 -5.248 1.00 73.10 C ATOM 0 H LEU A 122 6.037 10.903 -2.037 1.00 62.20 H new ATOM 0 HA LEU A 122 6.642 13.728 -1.933 1.00 63.34 H new ATOM 0 HB2 LEU A 122 6.153 12.969 -4.058 1.00 10.44 H new ATOM 0 HB3 LEU A 122 4.966 11.806 -3.502 1.00 10.44 H new ATOM 0 HG LEU A 122 3.345 13.617 -3.152 1.00 61.23 H new ATOM 0 HD11 LEU A 122 3.763 15.850 -4.083 1.00 35.32 H new ATOM 0 HD12 LEU A 122 4.848 15.474 -2.723 1.00 35.32 H new ATOM 0 HD13 LEU A 122 5.455 15.395 -4.394 1.00 35.32 H new ATOM 0 HD21 LEU A 122 2.952 14.095 -5.557 1.00 73.10 H new ATOM 0 HD22 LEU A 122 4.602 13.537 -5.923 1.00 73.10 H new ATOM 0 HD23 LEU A 122 3.398 12.394 -5.282 1.00 73.10 H new ATOM 1116 N LYS A 123 3.798 12.613 -0.687 1.00 1.12 N ATOM 1117 CA LYS A 123 2.651 12.973 0.141 1.00 51.45 C ATOM 1118 C LYS A 123 2.644 12.322 1.524 1.00 70.31 C ATOM 1119 O LYS A 123 2.349 12.964 2.525 1.00 62.04 O ATOM 1120 CB LYS A 123 1.329 12.765 -0.640 1.00 31.13 C ATOM 1121 CG LYS A 123 1.421 11.748 -1.774 1.00 73.33 C ATOM 1122 CD LYS A 123 0.239 11.778 -2.740 1.00 11.44 C ATOM 1123 CE LYS A 123 -1.092 11.547 -2.057 1.00 65.44 C ATOM 1124 NZ LYS A 123 -2.189 11.396 -3.035 1.00 52.10 N ATOM 0 H LYS A 123 3.765 11.663 -1.056 1.00 1.12 H new ATOM 0 HA LYS A 123 2.746 14.036 0.360 1.00 51.45 H new ATOM 0 HB2 LYS A 123 0.555 12.444 0.058 1.00 31.13 H new ATOM 0 HB3 LYS A 123 1.010 13.722 -1.052 1.00 31.13 H new ATOM 0 HG2 LYS A 123 2.338 11.928 -2.335 1.00 73.33 H new ATOM 0 HG3 LYS A 123 1.500 10.749 -1.345 1.00 73.33 H new ATOM 0 HD2 LYS A 123 0.217 12.742 -3.248 1.00 11.44 H new ATOM 0 HD3 LYS A 123 0.384 11.017 -3.506 1.00 11.44 H new ATOM 0 HE2 LYS A 123 -1.032 10.653 -1.436 1.00 65.44 H new ATOM 0 HE3 LYS A 123 -1.310 12.383 -1.392 1.00 65.44 H new ATOM 0 HZ1 LYS A 123 -3.085 11.239 -2.530 1.00 52.10 H new ATOM 0 HZ2 LYS A 123 -2.262 12.259 -3.611 1.00 52.10 H new ATOM 0 HZ3 LYS A 123 -1.993 10.583 -3.653 1.00 52.10 H new ATOM 1138 N TYR A 124 2.995 11.081 1.564 1.00 4.30 N ATOM 1139 CA TYR A 124 2.976 10.274 2.790 1.00 1.12 C ATOM 1140 C TYR A 124 4.222 10.527 3.630 1.00 4.45 C ATOM 1141 O TYR A 124 4.126 10.880 4.805 1.00 54.42 O ATOM 1142 CB TYR A 124 2.898 8.783 2.446 1.00 44.44 C ATOM 1143 CG TYR A 124 1.633 8.335 1.760 1.00 3.03 C ATOM 1144 CD1 TYR A 124 1.206 8.924 0.585 1.00 33.23 C ATOM 1145 CD2 TYR A 124 0.866 7.319 2.289 1.00 73.12 C ATOM 1146 CE1 TYR A 124 0.067 8.523 -0.034 1.00 11.43 C ATOM 1147 CE2 TYR A 124 -0.277 6.915 1.666 1.00 32.14 C ATOM 1148 CZ TYR A 124 -0.669 7.515 0.512 1.00 51.51 C ATOM 1149 OH TYR A 124 -1.820 7.117 -0.078 1.00 3.20 O ATOM 0 H TYR A 124 3.313 10.567 0.743 1.00 4.30 H new ATOM 0 HA TYR A 124 2.096 10.564 3.364 1.00 1.12 H new ATOM 0 HB2 TYR A 124 3.744 8.532 1.807 1.00 44.44 H new ATOM 0 HB3 TYR A 124 3.013 8.210 3.366 1.00 44.44 H new ATOM 0 HD1 TYR A 124 1.791 9.721 0.150 1.00 33.23 H new ATOM 0 HD2 TYR A 124 1.174 6.838 3.206 1.00 73.12 H new ATOM 0 HE1 TYR A 124 -0.253 8.998 -0.950 1.00 11.43 H new ATOM 0 HE2 TYR A 124 -0.871 6.118 2.090 1.00 32.14 H new ATOM 0 HH TYR A 124 -2.286 6.484 0.507 1.00 3.20 H new ATOM 1159 N HIS A 125 5.398 10.347 3.030 1.00 54.35 N ATOM 1160 CA HIS A 125 6.662 10.601 3.739 1.00 41.22 C ATOM 1161 C HIS A 125 7.407 11.789 3.091 1.00 1.11 C ATOM 1162 O HIS A 125 8.408 11.587 2.451 1.00 15.01 O ATOM 1163 CB HIS A 125 7.595 9.351 3.721 1.00 54.22 C ATOM 1164 CG HIS A 125 7.064 8.068 4.333 1.00 60.22 C ATOM 1165 ND1 HIS A 125 6.290 7.987 5.466 1.00 35.22 N ATOM 1166 CD2 HIS A 125 7.211 6.797 3.897 1.00 14.32 C ATOM 1167 CE1 HIS A 125 5.987 6.704 5.685 1.00 73.23 C ATOM 1168 NE2 HIS A 125 6.528 5.907 4.729 1.00 41.14 N ATOM 0 H HIS A 125 5.507 10.030 2.067 1.00 54.35 H new ATOM 0 HA HIS A 125 6.411 10.833 4.774 1.00 41.22 H new ATOM 0 HB2 HIS A 125 7.859 9.144 2.684 1.00 54.22 H new ATOM 0 HB3 HIS A 125 8.518 9.613 4.239 1.00 54.22 H new ATOM 0 HD2 HIS A 125 7.779 6.509 3.025 1.00 14.32 H new ATOM 0 HE1 HIS A 125 5.391 6.349 6.513 1.00 73.23 H new ATOM 0 HE2 HIS A 125 6.453 4.894 4.639 1.00 41.14 H new ATOM 1176 N PRO A 126 6.906 13.029 3.232 1.00 31.30 N ATOM 1177 CA PRO A 126 7.495 14.212 2.577 1.00 70.20 C ATOM 1178 C PRO A 126 8.791 14.690 3.223 1.00 72.31 C ATOM 1179 O PRO A 126 9.006 14.510 4.423 1.00 31.22 O ATOM 1180 CB PRO A 126 6.405 15.259 2.748 1.00 24.34 C ATOM 1181 CG PRO A 126 5.765 14.875 4.035 1.00 1.45 C ATOM 1182 CD PRO A 126 5.747 13.389 4.032 1.00 33.01 C ATOM 0 HA PRO A 126 7.775 14.002 1.545 1.00 70.20 H new ATOM 0 HB2 PRO A 126 6.818 16.267 2.788 1.00 24.34 H new ATOM 0 HB3 PRO A 126 5.694 15.238 1.922 1.00 24.34 H new ATOM 0 HG2 PRO A 126 6.328 15.260 4.885 1.00 1.45 H new ATOM 0 HG3 PRO A 126 4.756 15.281 4.110 1.00 1.45 H new ATOM 0 HD2 PRO A 126 5.818 12.986 5.042 1.00 33.01 H new ATOM 0 HD3 PRO A 126 4.825 13.001 3.598 1.00 33.01 H new ATOM 1190 N GLY A 127 9.638 15.314 2.424 1.00 24.45 N ATOM 1191 CA GLY A 127 10.899 15.824 2.917 1.00 44.10 C ATOM 1192 C GLY A 127 11.992 15.765 1.871 1.00 3.22 C ATOM 1193 O GLY A 127 12.771 16.711 1.715 1.00 75.52 O ATOM 0 H GLY A 127 9.473 15.478 1.431 1.00 24.45 H new ATOM 0 HA2 GLY A 127 10.768 16.855 3.244 1.00 44.10 H new ATOM 0 HA3 GLY A 127 11.204 15.248 3.791 1.00 44.10 H new ATOM 1197 N GLU A 128 12.041 14.677 1.154 1.00 11.53 N ATOM 1198 CA GLU A 128 13.016 14.450 0.101 1.00 0.31 C ATOM 1199 C GLU A 128 12.421 13.437 -0.831 1.00 51.42 C ATOM 1200 O GLU A 128 11.305 12.961 -0.569 1.00 43.04 O ATOM 1201 CB GLU A 128 14.370 13.990 0.706 1.00 4.45 C ATOM 1202 CG GLU A 128 14.336 12.696 1.504 1.00 31.41 C ATOM 1203 CD GLU A 128 14.738 11.477 0.704 1.00 55.05 C ATOM 1204 OE1 GLU A 128 15.943 11.169 0.651 1.00 31.53 O ATOM 1205 OE2 GLU A 128 13.877 10.829 0.106 1.00 15.05 O ATOM 0 H GLU A 128 11.393 13.900 1.281 1.00 11.53 H new ATOM 0 HA GLU A 128 13.235 15.364 -0.451 1.00 0.31 H new ATOM 0 HB2 GLU A 128 15.088 13.875 -0.106 1.00 4.45 H new ATOM 0 HB3 GLU A 128 14.745 14.783 1.353 1.00 4.45 H new ATOM 0 HG2 GLU A 128 15.001 12.792 2.363 1.00 31.41 H new ATOM 0 HG3 GLU A 128 13.330 12.547 1.895 1.00 31.41 H new ATOM 1212 N GLU A 129 13.065 13.135 -1.917 1.00 33.34 N ATOM 1213 CA GLU A 129 12.515 12.147 -2.791 1.00 74.22 C ATOM 1214 C GLU A 129 13.607 11.214 -3.264 1.00 25.21 C ATOM 1215 O GLU A 129 14.254 11.467 -4.281 1.00 45.13 O ATOM 1216 CB GLU A 129 11.869 12.858 -3.972 1.00 22.40 C ATOM 1217 CG GLU A 129 11.143 11.968 -4.951 1.00 40.20 C ATOM 1218 CD GLU A 129 10.609 12.759 -6.110 1.00 15.21 C ATOM 1219 OE1 GLU A 129 9.496 13.314 -6.011 1.00 32.11 O ATOM 1220 OE2 GLU A 129 11.316 12.882 -7.137 1.00 52.24 O ATOM 0 H GLU A 129 13.950 13.547 -2.214 1.00 33.34 H new ATOM 0 HA GLU A 129 11.766 11.553 -2.268 1.00 74.22 H new ATOM 0 HB2 GLU A 129 11.165 13.596 -3.588 1.00 22.40 H new ATOM 0 HB3 GLU A 129 12.642 13.406 -4.511 1.00 22.40 H new ATOM 0 HG2 GLU A 129 11.820 11.195 -5.316 1.00 40.20 H new ATOM 0 HG3 GLU A 129 10.322 11.460 -4.445 1.00 40.20 H new ATOM 1227 N ASN A 130 13.813 10.135 -2.520 1.00 61.21 N ATOM 1228 CA ASN A 130 14.852 9.151 -2.807 1.00 24.24 C ATOM 1229 C ASN A 130 14.459 7.807 -2.220 1.00 5.15 C ATOM 1230 O ASN A 130 14.671 7.545 -1.033 1.00 54.33 O ATOM 1231 CB ASN A 130 16.192 9.583 -2.164 1.00 25.44 C ATOM 1232 CG ASN A 130 16.705 10.923 -2.665 1.00 45.22 C ATOM 1233 OD1 ASN A 130 16.294 11.965 -1.998 1.00 73.30 O flip ATOM 1234 ND2 ASN A 130 17.462 11.010 -3.642 1.00 63.50 N flip ATOM 0 H ASN A 130 13.259 9.915 -1.692 1.00 61.21 H new ATOM 0 HA ASN A 130 14.966 9.077 -3.889 1.00 24.24 H new ATOM 0 HB2 ASN A 130 16.067 9.633 -1.082 1.00 25.44 H new ATOM 0 HB3 ASN A 130 16.943 8.819 -2.363 1.00 25.44 H new ATOM 0 HD21 ASN A 130 17.758 10.167 -4.134 1.00 63.50 H new ATOM 0 HD22 ASN A 130 17.789 11.924 -3.954 1.00 63.50 H new ATOM 1241 N PHE A 131 13.852 6.989 -3.017 1.00 51.22 N ATOM 1242 CA PHE A 131 13.469 5.664 -2.599 1.00 61.12 C ATOM 1243 C PHE A 131 14.440 4.639 -3.173 1.00 64.30 C ATOM 1244 O PHE A 131 15.050 4.866 -4.233 1.00 64.03 O ATOM 1245 CB PHE A 131 12.043 5.344 -3.044 1.00 4.10 C ATOM 1246 CG PHE A 131 10.983 5.389 -1.955 1.00 30.21 C ATOM 1247 CD1 PHE A 131 10.868 4.358 -1.053 1.00 53.33 C ATOM 1248 CD2 PHE A 131 10.062 6.409 -1.891 1.00 72.43 C ATOM 1249 CE1 PHE A 131 9.860 4.338 -0.112 1.00 61.12 C ATOM 1250 CE2 PHE A 131 9.056 6.402 -0.932 1.00 13.12 C ATOM 1251 CZ PHE A 131 8.957 5.363 -0.051 1.00 52.51 C ATOM 0 H PHE A 131 13.604 7.214 -3.980 1.00 51.22 H new ATOM 0 HA PHE A 131 13.504 5.622 -1.510 1.00 61.12 H new ATOM 0 HB2 PHE A 131 11.761 6.047 -3.828 1.00 4.10 H new ATOM 0 HB3 PHE A 131 12.036 4.349 -3.490 1.00 4.10 H new ATOM 0 HD1 PHE A 131 11.581 3.548 -1.082 1.00 53.33 H new ATOM 0 HD2 PHE A 131 10.121 7.226 -2.595 1.00 72.43 H new ATOM 0 HE1 PHE A 131 9.784 3.511 0.578 1.00 61.12 H new ATOM 0 HE2 PHE A 131 8.352 7.219 -0.883 1.00 13.12 H new ATOM 0 HZ PHE A 131 8.171 5.351 0.689 1.00 52.51 H new ATOM 1261 N LYS A 132 14.607 3.552 -2.475 1.00 3.31 N ATOM 1262 CA LYS A 132 15.458 2.479 -2.897 1.00 3.12 C ATOM 1263 C LYS A 132 14.572 1.252 -3.097 1.00 72.52 C ATOM 1264 O LYS A 132 13.465 1.217 -2.579 1.00 45.12 O ATOM 1265 CB LYS A 132 16.505 2.172 -1.807 1.00 75.21 C ATOM 1266 CG LYS A 132 16.085 1.063 -0.854 1.00 1.40 C ATOM 1267 CD LYS A 132 17.164 0.691 0.101 1.00 74.54 C ATOM 1268 CE LYS A 132 16.866 -0.672 0.696 1.00 22.30 C ATOM 1269 NZ LYS A 132 17.906 -1.119 1.639 1.00 32.42 N ATOM 0 H LYS A 132 14.146 3.385 -1.580 1.00 3.31 H new ATOM 0 HA LYS A 132 15.981 2.747 -3.815 1.00 3.12 H new ATOM 0 HB2 LYS A 132 17.444 1.892 -2.285 1.00 75.21 H new ATOM 0 HB3 LYS A 132 16.697 3.079 -1.234 1.00 75.21 H new ATOM 0 HG2 LYS A 132 15.205 1.382 -0.296 1.00 1.40 H new ATOM 0 HG3 LYS A 132 15.796 0.184 -1.430 1.00 1.40 H new ATOM 0 HD2 LYS A 132 18.127 0.674 -0.410 1.00 74.54 H new ATOM 0 HD3 LYS A 132 17.237 1.437 0.892 1.00 74.54 H new ATOM 0 HE2 LYS A 132 15.905 -0.638 1.210 1.00 22.30 H new ATOM 0 HE3 LYS A 132 16.772 -1.402 -0.108 1.00 22.30 H new ATOM 0 HZ1 LYS A 132 17.654 -2.055 2.016 1.00 32.42 H new ATOM 0 HZ2 LYS A 132 18.819 -1.179 1.145 1.00 32.42 H new ATOM 0 HZ3 LYS A 132 17.980 -0.439 2.422 1.00 32.42 H new ATOM 1283 N LEU A 133 15.057 0.245 -3.761 1.00 70.42 N ATOM 1284 CA LEU A 133 14.269 -0.941 -3.971 1.00 41.20 C ATOM 1285 C LEU A 133 15.031 -2.160 -3.505 1.00 51.23 C ATOM 1286 O LEU A 133 16.230 -2.289 -3.751 1.00 23.43 O ATOM 1287 CB LEU A 133 13.792 -1.116 -5.434 1.00 1.32 C ATOM 1288 CG LEU A 133 14.869 -1.199 -6.529 1.00 2.23 C ATOM 1289 CD1 LEU A 133 14.287 -1.858 -7.765 1.00 22.53 C ATOM 1290 CD2 LEU A 133 15.363 0.190 -6.912 1.00 24.13 C ATOM 0 H LEU A 133 15.992 0.217 -4.167 1.00 70.42 H new ATOM 0 HA LEU A 133 13.364 -0.825 -3.374 1.00 41.20 H new ATOM 0 HB2 LEU A 133 13.190 -2.024 -5.485 1.00 1.32 H new ATOM 0 HB3 LEU A 133 13.132 -0.282 -5.674 1.00 1.32 H new ATOM 0 HG LEU A 133 15.703 -1.783 -6.140 1.00 2.23 H new ATOM 0 HD11 LEU A 133 15.051 -1.916 -8.540 1.00 22.53 H new ATOM 0 HD12 LEU A 133 13.946 -2.863 -7.515 1.00 22.53 H new ATOM 0 HD13 LEU A 133 13.445 -1.269 -8.129 1.00 22.53 H new ATOM 0 HD21 LEU A 133 16.124 0.104 -7.688 1.00 24.13 H new ATOM 0 HD22 LEU A 133 14.528 0.783 -7.286 1.00 24.13 H new ATOM 0 HD23 LEU A 133 15.791 0.678 -6.036 1.00 24.13 H new ATOM 1302 N THR A 134 14.354 -3.006 -2.801 1.00 71.22 N ATOM 1303 CA THR A 134 14.895 -4.220 -2.291 1.00 51.14 C ATOM 1304 C THR A 134 13.796 -5.271 -2.366 1.00 13.54 C ATOM 1305 O THR A 134 12.712 -5.057 -1.857 1.00 1.41 O ATOM 1306 CB THR A 134 15.392 -4.013 -0.816 1.00 72.43 C ATOM 1307 OG1 THR A 134 15.823 -5.244 -0.215 1.00 45.32 O ATOM 1308 CG2 THR A 134 14.338 -3.328 0.060 1.00 1.03 C ATOM 0 H THR A 134 13.374 -2.865 -2.557 1.00 71.22 H new ATOM 0 HA THR A 134 15.757 -4.543 -2.875 1.00 51.14 H new ATOM 0 HB THR A 134 16.254 -3.349 -0.878 1.00 72.43 H new ATOM 0 HG1 THR A 134 16.126 -5.072 0.701 1.00 45.32 H new ATOM 0 HG21 THR A 134 14.728 -3.207 1.071 1.00 1.03 H new ATOM 0 HG22 THR A 134 14.099 -2.350 -0.357 1.00 1.03 H new ATOM 0 HG23 THR A 134 13.436 -3.940 0.090 1.00 1.03 H new ATOM 1316 N MET A 135 14.012 -6.365 -3.031 1.00 0.04 N ATOM 1317 CA MET A 135 12.936 -7.307 -3.123 1.00 34.25 C ATOM 1318 C MET A 135 13.157 -8.358 -2.091 1.00 34.12 C ATOM 1319 O MET A 135 14.027 -9.217 -2.246 1.00 74.31 O ATOM 1320 CB MET A 135 12.982 -7.941 -4.514 1.00 53.31 C ATOM 1321 CG MET A 135 11.920 -8.987 -4.830 1.00 61.30 C ATOM 1322 SD MET A 135 12.171 -9.673 -6.484 1.00 71.31 S ATOM 1323 CE MET A 135 10.826 -10.841 -6.618 1.00 51.13 C ATOM 0 H MET A 135 14.881 -6.622 -3.499 1.00 0.04 H new ATOM 0 HA MET A 135 11.971 -6.826 -2.965 1.00 34.25 H new ATOM 0 HB2 MET A 135 12.903 -7.144 -5.253 1.00 53.31 H new ATOM 0 HB3 MET A 135 13.961 -8.401 -4.645 1.00 53.31 H new ATOM 0 HG2 MET A 135 11.958 -9.786 -4.090 1.00 61.30 H new ATOM 0 HG3 MET A 135 10.929 -8.538 -4.764 1.00 61.30 H new ATOM 0 HE1 MET A 135 10.607 -11.025 -7.670 1.00 51.13 H new ATOM 0 HE2 MET A 135 11.108 -11.778 -6.137 1.00 51.13 H new ATOM 0 HE3 MET A 135 9.941 -10.434 -6.129 1.00 51.13 H new ATOM 1333 N VAL A 136 12.376 -8.273 -1.041 1.00 42.44 N ATOM 1334 CA VAL A 136 12.334 -9.254 0.008 1.00 2.22 C ATOM 1335 C VAL A 136 10.934 -9.297 0.598 1.00 20.34 C ATOM 1336 O VAL A 136 10.562 -8.401 1.308 1.00 4.00 O ATOM 1337 CB VAL A 136 13.392 -8.943 1.137 1.00 24.34 C ATOM 1338 CG1 VAL A 136 14.755 -9.496 0.764 1.00 22.01 C ATOM 1339 CG2 VAL A 136 13.525 -7.427 1.363 1.00 23.32 C ATOM 0 H VAL A 136 11.734 -7.494 -0.892 1.00 42.44 H new ATOM 0 HA VAL A 136 12.587 -10.225 -0.418 1.00 2.22 H new ATOM 0 HB VAL A 136 13.039 -9.419 2.052 1.00 24.34 H new ATOM 0 HG11 VAL A 136 15.469 -9.270 1.556 1.00 22.01 H new ATOM 0 HG12 VAL A 136 14.686 -10.576 0.635 1.00 22.01 H new ATOM 0 HG13 VAL A 136 15.090 -9.040 -0.167 1.00 22.01 H new ATOM 0 HG21 VAL A 136 14.260 -7.239 2.146 1.00 23.32 H new ATOM 0 HG22 VAL A 136 13.849 -6.948 0.439 1.00 23.32 H new ATOM 0 HG23 VAL A 136 12.561 -7.018 1.665 1.00 23.32 H new ATOM 1349 N LYS A 137 10.168 -10.295 0.358 1.00 72.03 N ATOM 1350 CA LYS A 137 8.873 -10.333 0.999 1.00 10.02 C ATOM 1351 C LYS A 137 8.609 -11.726 1.438 1.00 73.33 C ATOM 1352 O LYS A 137 8.515 -12.629 0.612 1.00 50.11 O ATOM 1353 CB LYS A 137 7.780 -9.805 0.102 1.00 33.02 C ATOM 1354 CG LYS A 137 6.530 -9.322 0.815 1.00 33.01 C ATOM 1355 CD LYS A 137 6.884 -8.118 1.694 1.00 40.11 C ATOM 1356 CE LYS A 137 5.691 -7.261 2.090 1.00 55.13 C ATOM 1357 NZ LYS A 137 6.072 -6.300 3.127 1.00 30.25 N ATOM 0 H LYS A 137 10.388 -11.081 -0.254 1.00 72.03 H new ATOM 0 HA LYS A 137 8.880 -9.675 1.868 1.00 10.02 H new ATOM 0 HB2 LYS A 137 8.183 -8.981 -0.487 1.00 33.02 H new ATOM 0 HB3 LYS A 137 7.497 -10.590 -0.599 1.00 33.02 H new ATOM 0 HG2 LYS A 137 5.767 -9.045 0.088 1.00 33.01 H new ATOM 0 HG3 LYS A 137 6.113 -10.123 1.425 1.00 33.01 H new ATOM 0 HD2 LYS A 137 7.376 -8.475 2.598 1.00 40.11 H new ATOM 0 HD3 LYS A 137 7.604 -7.495 1.164 1.00 40.11 H new ATOM 0 HE2 LYS A 137 5.311 -6.731 1.217 1.00 55.13 H new ATOM 0 HE3 LYS A 137 4.884 -7.897 2.454 1.00 55.13 H new ATOM 0 HZ1 LYS A 137 5.271 -5.668 3.325 1.00 30.25 H new ATOM 0 HZ2 LYS A 137 6.333 -6.811 3.995 1.00 30.25 H new ATOM 0 HZ3 LYS A 137 6.883 -5.738 2.799 1.00 30.25 H new ATOM 1371 N ARG A 138 8.492 -11.920 2.693 1.00 61.51 N ATOM 1372 CA ARG A 138 8.389 -13.245 3.204 1.00 43.42 C ATOM 1373 C ARG A 138 6.985 -13.513 3.707 1.00 42.54 C ATOM 1374 O ARG A 138 6.292 -12.582 4.142 1.00 41.11 O ATOM 1375 CB ARG A 138 9.465 -13.508 4.286 1.00 3.51 C ATOM 1376 CG ARG A 138 10.926 -13.326 3.796 1.00 43.02 C ATOM 1377 CD ARG A 138 11.348 -11.845 3.671 1.00 12.40 C ATOM 1378 NE ARG A 138 11.363 -11.145 4.971 1.00 43.25 N ATOM 1379 CZ ARG A 138 11.410 -9.805 5.156 1.00 34.01 C ATOM 1380 NH1 ARG A 138 11.326 -8.960 4.118 1.00 62.23 N ATOM 1381 NH2 ARG A 138 11.502 -9.318 6.386 1.00 31.22 N ATOM 0 H ARG A 138 8.464 -11.181 3.396 1.00 61.51 H new ATOM 0 HA ARG A 138 8.581 -13.949 2.394 1.00 43.42 H new ATOM 0 HB2 ARG A 138 9.290 -12.835 5.126 1.00 3.51 H new ATOM 0 HB3 ARG A 138 9.345 -14.524 4.661 1.00 3.51 H new ATOM 0 HG2 ARG A 138 11.600 -13.831 4.488 1.00 43.02 H new ATOM 0 HG3 ARG A 138 11.040 -13.812 2.827 1.00 43.02 H new ATOM 0 HD2 ARG A 138 12.340 -11.791 3.222 1.00 12.40 H new ATOM 0 HD3 ARG A 138 10.664 -11.332 2.995 1.00 12.40 H new ATOM 0 HE ARG A 138 11.335 -11.726 5.809 1.00 43.25 H new ATOM 0 HH11 ARG A 138 11.225 -9.324 3.171 1.00 62.23 H new ATOM 0 HH12 ARG A 138 11.363 -7.953 4.276 1.00 62.23 H new ATOM 0 HH21 ARG A 138 11.537 -9.952 7.184 1.00 31.22 H new ATOM 0 HH22 ARG A 138 11.538 -8.309 6.534 1.00 31.22 H new ATOM 1395 N ASN A 139 6.549 -14.765 3.560 1.00 35.03 N ATOM 1396 CA ASN A 139 5.220 -15.258 4.013 1.00 20.40 C ATOM 1397 C ASN A 139 4.079 -14.563 3.245 1.00 1.24 C ATOM 1398 O ASN A 139 2.954 -14.444 3.721 1.00 11.13 O ATOM 1399 CB ASN A 139 5.072 -15.105 5.554 1.00 12.32 C ATOM 1400 CG ASN A 139 3.784 -15.699 6.158 1.00 63.31 C ATOM 1401 OD1 ASN A 139 3.280 -15.191 7.151 1.00 33.54 O ATOM 1402 ND2 ASN A 139 3.269 -16.780 5.596 1.00 65.25 N ATOM 0 H ASN A 139 7.112 -15.490 3.115 1.00 35.03 H new ATOM 0 HA ASN A 139 5.151 -16.322 3.786 1.00 20.40 H new ATOM 0 HB2 ASN A 139 5.929 -15.578 6.033 1.00 12.32 H new ATOM 0 HB3 ASN A 139 5.114 -14.044 5.802 1.00 12.32 H new ATOM 0 HD21 ASN A 139 2.432 -17.210 5.990 1.00 65.25 H new ATOM 0 HD22 ASN A 139 3.709 -17.183 4.769 1.00 65.25 H new ATOM 1409 N ASN A 140 4.365 -14.168 2.032 1.00 42.44 N ATOM 1410 CA ASN A 140 3.382 -13.519 1.163 1.00 2.22 C ATOM 1411 C ASN A 140 3.649 -13.940 -0.267 1.00 3.20 C ATOM 1412 O ASN A 140 3.150 -14.953 -0.741 1.00 35.12 O ATOM 1413 CB ASN A 140 3.434 -11.970 1.264 1.00 34.53 C ATOM 1414 CG ASN A 140 2.965 -11.390 2.580 1.00 72.40 C ATOM 1415 OD1 ASN A 140 1.796 -11.088 2.746 1.00 22.10 O ATOM 1416 ND2 ASN A 140 3.877 -11.192 3.499 1.00 13.10 N ATOM 0 H ASN A 140 5.285 -14.281 1.605 1.00 42.44 H new ATOM 0 HA ASN A 140 2.388 -13.830 1.485 1.00 2.22 H new ATOM 0 HB2 ASN A 140 4.460 -11.646 1.088 1.00 34.53 H new ATOM 0 HB3 ASN A 140 2.825 -11.550 0.463 1.00 34.53 H new ATOM 0 HD21 ASN A 140 3.619 -10.771 4.392 1.00 13.10 H new ATOM 0 HD22 ASN A 140 4.846 -11.459 3.322 1.00 13.10 H new ATOM 1423 N GLN A 141 4.518 -13.202 -0.895 1.00 24.21 N ATOM 1424 CA GLN A 141 4.993 -13.421 -2.226 1.00 52.40 C ATOM 1425 C GLN A 141 6.211 -12.594 -2.311 1.00 63.24 C ATOM 1426 O GLN A 141 6.369 -11.728 -1.473 1.00 4.33 O ATOM 1427 CB GLN A 141 4.022 -12.928 -3.314 1.00 14.03 C ATOM 1428 CG GLN A 141 3.797 -11.416 -3.429 1.00 45.43 C ATOM 1429 CD GLN A 141 2.703 -10.839 -2.559 1.00 13.32 C ATOM 1430 OE1 GLN A 141 1.546 -10.754 -2.976 1.00 62.34 O ATOM 1431 NE2 GLN A 141 3.055 -10.363 -1.405 1.00 73.12 N ATOM 0 H GLN A 141 4.939 -12.380 -0.462 1.00 24.21 H new ATOM 0 HA GLN A 141 5.134 -14.488 -2.398 1.00 52.40 H new ATOM 0 HB2 GLN A 141 4.384 -13.288 -4.277 1.00 14.03 H new ATOM 0 HB3 GLN A 141 3.055 -13.400 -3.141 1.00 14.03 H new ATOM 0 HG2 GLN A 141 4.732 -10.910 -3.186 1.00 45.43 H new ATOM 0 HG3 GLN A 141 3.569 -11.181 -4.469 1.00 45.43 H new ATOM 0 HE21 GLN A 141 4.021 -10.451 -1.090 1.00 73.12 H new ATOM 0 HE22 GLN A 141 2.365 -9.901 -0.812 1.00 73.12 H new ATOM 1440 N THR A 142 7.029 -12.782 -3.284 1.00 50.43 N ATOM 1441 CA THR A 142 8.173 -11.950 -3.396 1.00 2.41 C ATOM 1442 C THR A 142 7.895 -10.768 -4.328 1.00 44.14 C ATOM 1443 O THR A 142 7.676 -10.907 -5.528 1.00 74.32 O ATOM 1444 CB THR A 142 9.449 -12.728 -3.744 1.00 71.52 C ATOM 1445 OG1 THR A 142 9.192 -13.651 -4.811 1.00 1.54 O ATOM 1446 CG2 THR A 142 9.982 -13.468 -2.509 1.00 54.51 C ATOM 0 H THR A 142 6.930 -13.495 -4.006 1.00 50.43 H new ATOM 0 HA THR A 142 8.377 -11.532 -2.410 1.00 2.41 H new ATOM 0 HB THR A 142 10.209 -12.019 -4.073 1.00 71.52 H new ATOM 0 HG1 THR A 142 10.014 -14.140 -5.025 1.00 1.54 H new ATOM 0 HG21 THR A 142 10.887 -14.014 -2.775 1.00 54.51 H new ATOM 0 HG22 THR A 142 10.210 -12.748 -1.724 1.00 54.51 H new ATOM 0 HG23 THR A 142 9.228 -14.168 -2.151 1.00 54.51 H new ATOM 1454 N ILE A 143 7.852 -9.634 -3.710 1.00 63.45 N ATOM 1455 CA ILE A 143 7.499 -8.353 -4.249 1.00 30.41 C ATOM 1456 C ILE A 143 8.551 -7.346 -3.858 1.00 33.15 C ATOM 1457 O ILE A 143 9.291 -7.588 -2.895 1.00 5.41 O ATOM 1458 CB ILE A 143 6.048 -7.904 -3.898 1.00 53.42 C ATOM 1459 CG1 ILE A 143 5.734 -8.088 -2.444 1.00 31.24 C ATOM 1460 CG2 ILE A 143 5.025 -8.594 -4.751 1.00 41.15 C ATOM 1461 CD1 ILE A 143 6.364 -7.042 -1.586 1.00 71.24 C ATOM 0 H ILE A 143 8.085 -9.571 -2.719 1.00 63.45 H new ATOM 0 HA ILE A 143 7.482 -8.432 -5.336 1.00 30.41 H new ATOM 0 HB ILE A 143 6.000 -6.837 -4.114 1.00 53.42 H new ATOM 0 HG12 ILE A 143 4.653 -8.066 -2.303 1.00 31.24 H new ATOM 0 HG13 ILE A 143 6.077 -9.072 -2.123 1.00 31.24 H new ATOM 0 HG21 ILE A 143 4.028 -8.252 -4.473 1.00 41.15 H new ATOM 0 HG22 ILE A 143 5.209 -8.361 -5.800 1.00 41.15 H new ATOM 0 HG23 ILE A 143 5.093 -9.671 -4.601 1.00 41.15 H new ATOM 0 HD11 ILE A 143 6.105 -7.222 -0.543 1.00 71.24 H new ATOM 0 HD12 ILE A 143 7.447 -7.080 -1.702 1.00 71.24 H new ATOM 0 HD13 ILE A 143 6.001 -6.059 -1.885 1.00 71.24 H new ATOM 1473 N PHE A 144 8.681 -6.294 -4.592 1.00 43.23 N ATOM 1474 CA PHE A 144 9.777 -5.385 -4.409 1.00 12.23 C ATOM 1475 C PHE A 144 9.393 -4.352 -3.377 1.00 4.10 C ATOM 1476 O PHE A 144 8.384 -3.655 -3.508 1.00 30.15 O ATOM 1477 CB PHE A 144 10.032 -4.635 -5.720 1.00 14.03 C ATOM 1478 CG PHE A 144 10.374 -5.492 -6.895 1.00 63.12 C ATOM 1479 CD1 PHE A 144 11.688 -5.799 -7.169 1.00 54.21 C ATOM 1480 CD2 PHE A 144 9.376 -5.978 -7.740 1.00 12.42 C ATOM 1481 CE1 PHE A 144 12.020 -6.576 -8.260 1.00 75.51 C ATOM 1482 CE2 PHE A 144 9.700 -6.758 -8.830 1.00 10.21 C ATOM 1483 CZ PHE A 144 11.026 -7.057 -9.092 1.00 5.42 C ATOM 0 H PHE A 144 8.035 -6.034 -5.337 1.00 43.23 H new ATOM 0 HA PHE A 144 10.659 -5.945 -4.098 1.00 12.23 H new ATOM 0 HB2 PHE A 144 9.144 -4.052 -5.964 1.00 14.03 H new ATOM 0 HB3 PHE A 144 10.844 -3.926 -5.561 1.00 14.03 H new ATOM 0 HD1 PHE A 144 12.469 -5.427 -6.522 1.00 54.21 H new ATOM 0 HD2 PHE A 144 8.342 -5.741 -7.539 1.00 12.42 H new ATOM 0 HE1 PHE A 144 13.055 -6.808 -8.464 1.00 75.51 H new ATOM 0 HE2 PHE A 144 8.922 -7.134 -9.477 1.00 10.21 H new ATOM 0 HZ PHE A 144 11.284 -7.666 -9.946 1.00 5.42 H new ATOM 1493 N GLU A 145 10.193 -4.282 -2.343 1.00 11.24 N ATOM 1494 CA GLU A 145 9.972 -3.383 -1.270 1.00 42.04 C ATOM 1495 C GLU A 145 10.769 -2.131 -1.540 1.00 15.34 C ATOM 1496 O GLU A 145 11.902 -2.189 -2.012 1.00 2.33 O ATOM 1497 CB GLU A 145 10.374 -3.996 0.091 1.00 54.44 C ATOM 1498 CG GLU A 145 9.726 -5.336 0.415 1.00 52.40 C ATOM 1499 CD GLU A 145 9.344 -5.484 1.896 1.00 24.31 C ATOM 1500 OE1 GLU A 145 8.220 -5.053 2.292 1.00 21.10 O ATOM 1501 OE2 GLU A 145 10.124 -6.022 2.691 1.00 64.45 O ATOM 0 H GLU A 145 11.025 -4.862 -2.234 1.00 11.24 H new ATOM 0 HA GLU A 145 8.908 -3.157 -1.207 1.00 42.04 H new ATOM 0 HB2 GLU A 145 11.457 -4.120 0.110 1.00 54.44 H new ATOM 0 HB3 GLU A 145 10.120 -3.288 0.880 1.00 54.44 H new ATOM 0 HG2 GLU A 145 8.832 -5.457 -0.197 1.00 52.40 H new ATOM 0 HG3 GLU A 145 10.411 -6.139 0.142 1.00 52.40 H new ATOM 1508 N GLN A 146 10.192 -1.023 -1.265 1.00 21.23 N ATOM 1509 CA GLN A 146 10.798 0.224 -1.563 1.00 55.12 C ATOM 1510 C GLN A 146 11.014 0.993 -0.257 1.00 21.23 C ATOM 1511 O GLN A 146 10.045 1.303 0.455 1.00 40.54 O ATOM 1512 CB GLN A 146 9.898 0.978 -2.551 1.00 55.35 C ATOM 1513 CG GLN A 146 10.644 2.011 -3.347 1.00 53.22 C ATOM 1514 CD GLN A 146 9.838 2.655 -4.444 1.00 42.11 C ATOM 1515 OE1 GLN A 146 9.820 2.181 -5.564 1.00 12.31 O ATOM 1516 NE2 GLN A 146 9.192 3.747 -4.144 1.00 54.21 N ATOM 0 H GLN A 146 9.276 -0.952 -0.822 1.00 21.23 H new ATOM 0 HA GLN A 146 11.774 0.096 -2.032 1.00 55.12 H new ATOM 0 HB2 GLN A 146 9.437 0.264 -3.233 1.00 55.35 H new ATOM 0 HB3 GLN A 146 9.090 1.462 -2.003 1.00 55.35 H new ATOM 0 HG2 GLN A 146 10.998 2.788 -2.669 1.00 53.22 H new ATOM 0 HG3 GLN A 146 11.526 1.545 -3.787 1.00 53.22 H new ATOM 0 HE21 GLN A 146 9.229 4.117 -3.194 1.00 54.21 H new ATOM 0 HE22 GLN A 146 8.650 4.231 -4.859 1.00 54.21 H new ATOM 1525 N THR A 147 12.278 1.204 0.105 1.00 51.43 N ATOM 1526 CA THR A 147 12.648 1.869 1.373 1.00 2.55 C ATOM 1527 C THR A 147 13.286 3.225 1.101 1.00 24.15 C ATOM 1528 O THR A 147 13.752 3.469 0.007 1.00 50.25 O ATOM 1529 CB THR A 147 13.662 1.003 2.131 1.00 43.21 C ATOM 1530 OG1 THR A 147 13.798 -0.249 1.432 1.00 30.23 O ATOM 1531 CG2 THR A 147 13.185 0.743 3.555 1.00 42.40 C ATOM 0 H THR A 147 13.078 0.924 -0.463 1.00 51.43 H new ATOM 0 HA THR A 147 11.742 2.004 1.964 1.00 2.55 H new ATOM 0 HB THR A 147 14.620 1.521 2.180 1.00 43.21 H new ATOM 0 HG1 THR A 147 14.144 -0.930 2.046 1.00 30.23 H new ATOM 0 HG21 THR A 147 13.917 0.127 4.077 1.00 42.40 H new ATOM 0 HG22 THR A 147 13.069 1.692 4.079 1.00 42.40 H new ATOM 0 HG23 THR A 147 12.227 0.224 3.529 1.00 42.40 H new ATOM 1539 N ILE A 148 13.305 4.091 2.078 1.00 44.43 N ATOM 1540 CA ILE A 148 13.885 5.421 1.912 1.00 21.05 C ATOM 1541 C ILE A 148 15.187 5.492 2.685 1.00 40.35 C ATOM 1542 O ILE A 148 15.398 4.743 3.638 1.00 43.34 O ATOM 1543 CB ILE A 148 12.934 6.516 2.443 1.00 53.22 C ATOM 1544 CG1 ILE A 148 11.526 6.172 2.008 1.00 64.10 C ATOM 1545 CG2 ILE A 148 13.336 7.855 1.824 1.00 41.20 C ATOM 1546 CD1 ILE A 148 10.419 6.783 2.806 1.00 71.22 C ATOM 0 H ILE A 148 12.926 3.909 3.007 1.00 44.43 H new ATOM 0 HA ILE A 148 14.054 5.591 0.849 1.00 21.05 H new ATOM 0 HB ILE A 148 12.988 6.579 3.530 1.00 53.22 H new ATOM 0 HG12 ILE A 148 11.406 6.475 0.968 1.00 64.10 H new ATOM 0 HG13 ILE A 148 11.413 5.088 2.040 1.00 64.10 H new ATOM 0 HG21 ILE A 148 12.673 8.639 2.190 1.00 41.20 H new ATOM 0 HG22 ILE A 148 14.363 8.090 2.102 1.00 41.20 H new ATOM 0 HG23 ILE A 148 13.259 7.792 0.739 1.00 41.20 H new ATOM 0 HD11 ILE A 148 9.459 6.464 2.400 1.00 71.22 H new ATOM 0 HD12 ILE A 148 10.499 6.462 3.844 1.00 71.22 H new ATOM 0 HD13 ILE A 148 10.491 7.869 2.756 1.00 71.22 H new ATOM 1558 N ASN A 149 16.055 6.367 2.264 1.00 52.22 N ATOM 1559 CA ASN A 149 17.352 6.565 2.892 1.00 70.32 C ATOM 1560 C ASN A 149 17.348 7.793 3.797 1.00 5.23 C ATOM 1561 O ASN A 149 18.396 8.240 4.244 1.00 62.22 O ATOM 1562 CB ASN A 149 18.441 6.714 1.803 1.00 72.41 C ATOM 1563 CG ASN A 149 18.099 7.715 0.692 1.00 45.13 C ATOM 1564 OD1 ASN A 149 17.378 8.766 1.001 1.00 20.11 O flip ATOM 1565 ND2 ASN A 149 18.520 7.542 -0.447 1.00 63.51 N flip ATOM 0 H ASN A 149 15.889 6.977 1.464 1.00 52.22 H new ATOM 0 HA ASN A 149 17.569 5.693 3.510 1.00 70.32 H new ATOM 0 HB2 ASN A 149 19.372 7.023 2.278 1.00 72.41 H new ATOM 0 HB3 ASN A 149 18.622 5.738 1.352 1.00 72.41 H new ATOM 0 HD21 ASN A 149 19.079 6.717 -0.664 1.00 63.51 H new ATOM 0 HD22 ASN A 149 18.311 8.223 -1.177 1.00 63.51 H new ATOM 1572 N ASP A 150 16.176 8.333 4.057 1.00 25.12 N ATOM 1573 CA ASP A 150 16.077 9.576 4.820 1.00 10.03 C ATOM 1574 C ASP A 150 14.772 9.621 5.573 1.00 11.44 C ATOM 1575 O ASP A 150 14.735 9.671 6.791 1.00 61.34 O ATOM 1576 CB ASP A 150 16.106 10.735 3.854 1.00 65.34 C ATOM 1577 CG ASP A 150 16.286 12.079 4.533 1.00 62.34 C ATOM 1578 OD1 ASP A 150 15.343 12.591 5.137 1.00 3.23 O ATOM 1579 OD2 ASP A 150 17.400 12.644 4.472 1.00 70.42 O ATOM 0 H ASP A 150 15.283 7.942 3.758 1.00 25.12 H new ATOM 0 HA ASP A 150 16.906 9.632 5.525 1.00 10.03 H new ATOM 0 HB2 ASP A 150 16.917 10.585 3.141 1.00 65.34 H new ATOM 0 HB3 ASP A 150 15.178 10.746 3.283 1.00 65.34 H new ATOM 1584 N LEU A 151 13.690 9.515 4.818 1.00 41.31 N ATOM 1585 CA LEU A 151 12.306 9.577 5.327 1.00 31.55 C ATOM 1586 C LEU A 151 11.917 8.223 5.931 1.00 32.32 C ATOM 1587 O LEU A 151 10.740 7.892 6.083 1.00 32.24 O ATOM 1588 CB LEU A 151 11.392 9.884 4.152 1.00 54.01 C ATOM 1589 CG LEU A 151 11.822 11.039 3.273 1.00 22.02 C ATOM 1590 CD1 LEU A 151 11.367 10.807 1.859 1.00 1.24 C ATOM 1591 CD2 LEU A 151 11.245 12.324 3.772 1.00 74.05 C ATOM 0 H LEU A 151 13.738 9.380 3.808 1.00 41.31 H new ATOM 0 HA LEU A 151 12.218 10.345 6.096 1.00 31.55 H new ATOM 0 HB2 LEU A 151 11.313 8.990 3.533 1.00 54.01 H new ATOM 0 HB3 LEU A 151 10.394 10.095 4.536 1.00 54.01 H new ATOM 0 HG LEU A 151 12.910 11.103 3.302 1.00 22.02 H new ATOM 0 HD11 LEU A 151 11.681 11.643 1.234 1.00 1.24 H new ATOM 0 HD12 LEU A 151 11.809 9.885 1.481 1.00 1.24 H new ATOM 0 HD13 LEU A 151 10.280 10.724 1.835 1.00 1.24 H new ATOM 0 HD21 LEU A 151 11.566 13.142 3.127 1.00 74.05 H new ATOM 0 HD22 LEU A 151 10.157 12.261 3.765 1.00 74.05 H new ATOM 0 HD23 LEU A 151 11.591 12.507 4.789 1.00 74.05 H new ATOM 1603 N THR A 152 12.931 7.473 6.261 1.00 2.05 N ATOM 1604 CA THR A 152 12.870 6.158 6.832 1.00 31.34 C ATOM 1605 C THR A 152 12.133 6.186 8.186 1.00 13.53 C ATOM 1606 O THR A 152 11.477 5.219 8.584 1.00 23.04 O ATOM 1607 CB THR A 152 14.319 5.723 7.064 1.00 23.53 C ATOM 1608 OG1 THR A 152 15.105 6.150 5.937 1.00 42.21 O ATOM 1609 CG2 THR A 152 14.431 4.225 7.188 1.00 2.22 C ATOM 0 H THR A 152 13.892 7.789 6.128 1.00 2.05 H new ATOM 0 HA THR A 152 12.335 5.477 6.170 1.00 31.34 H new ATOM 0 HB THR A 152 14.674 6.172 7.992 1.00 23.53 H new ATOM 0 HG1 THR A 152 15.122 5.440 5.262 1.00 42.21 H new ATOM 0 HG21 THR A 152 15.473 3.950 7.352 1.00 2.22 H new ATOM 0 HG22 THR A 152 13.829 3.884 8.030 1.00 2.22 H new ATOM 0 HG23 THR A 152 14.072 3.756 6.272 1.00 2.22 H new ATOM 1617 N PHE A 153 12.232 7.298 8.874 1.00 41.33 N ATOM 1618 CA PHE A 153 11.608 7.446 10.174 1.00 12.01 C ATOM 1619 C PHE A 153 10.521 8.495 10.100 1.00 25.23 C ATOM 1620 O PHE A 153 10.550 9.355 9.198 1.00 10.12 O ATOM 1621 CB PHE A 153 12.648 7.851 11.213 1.00 52.21 C ATOM 1622 CG PHE A 153 13.802 6.899 11.314 1.00 11.42 C ATOM 1623 CD1 PHE A 153 13.692 5.742 12.051 1.00 62.54 C ATOM 1624 CD2 PHE A 153 14.994 7.163 10.664 1.00 41.41 C ATOM 1625 CE1 PHE A 153 14.748 4.860 12.144 1.00 61.23 C ATOM 1626 CE2 PHE A 153 16.051 6.290 10.749 1.00 32.14 C ATOM 1627 CZ PHE A 153 15.928 5.134 11.492 1.00 51.11 C ATOM 0 H PHE A 153 12.742 8.122 8.555 1.00 41.33 H new ATOM 0 HA PHE A 153 11.170 6.492 10.468 1.00 12.01 H new ATOM 0 HB2 PHE A 153 13.027 8.843 10.967 1.00 52.21 H new ATOM 0 HB3 PHE A 153 12.165 7.927 12.187 1.00 52.21 H new ATOM 0 HD1 PHE A 153 12.767 5.522 12.563 1.00 62.54 H new ATOM 0 HD2 PHE A 153 15.095 8.067 10.082 1.00 41.41 H new ATOM 0 HE1 PHE A 153 14.649 3.956 12.727 1.00 61.23 H new ATOM 0 HE2 PHE A 153 16.976 6.508 10.236 1.00 32.14 H new ATOM 0 HZ PHE A 153 16.757 4.445 11.562 1.00 51.11 H new