USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 384 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 53 GLN : amide:sc= -2.88! C(o=-4!,f=-3.7!) USER MOD Set 1.2: A 58 ASN : amide:sc= -1.1 X(o=-4,f=-3.7) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 26:sc= 0.103 USER MOD Single : A 32 SER OG : rot 59:sc= 0.376 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -3.97! C(o=-4!,f=-5.1!) USER MOD Single : A 61 ASN : amide:sc= -0.198 K(o=-0.2,f=-0.91) USER MOD Single : A 62 MET CE :methyl -142:sc= -7.06! (180deg=-9.58!) USER MOD Single : A 63 SER OG : rot -56:sc= 0.169 USER MOD Single : A 64 ASN : amide:sc= -0.582 K(o=-0.58,f=0.9) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0078 USER MOD Single : A 82 SER OG : rot 75:sc= 0.59 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0702 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 6.508 -4.894 -2.892 1.00 0.00 N ATOM 16 CA VAL A 2 6.226 -5.726 -4.048 1.00 0.00 C ATOM 17 C VAL A 2 6.093 -4.840 -5.288 1.00 0.00 C ATOM 18 O VAL A 2 5.694 -3.681 -5.188 1.00 0.00 O ATOM 19 CB VAL A 2 4.983 -6.580 -3.788 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.631 -7.425 -5.014 1.00 0.00 C ATOM 21 CG2 VAL A 2 5.172 -7.461 -2.551 1.00 0.00 C ATOM 0 HA VAL A 2 7.048 -6.419 -4.229 1.00 0.00 H new ATOM 0 HB VAL A 2 4.148 -5.906 -3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.744 -8.022 -4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.433 -6.770 -5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.465 -8.086 -5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.274 -8.058 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.025 -8.123 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.352 -6.831 -1.680 1.00 0.00 H new ATOM 31 N THR A 3 6.433 -5.419 -6.430 1.00 0.00 N ATOM 32 CA THR A 3 6.357 -4.697 -7.688 1.00 0.00 C ATOM 33 C THR A 3 5.293 -5.317 -8.597 1.00 0.00 C ATOM 34 O THR A 3 5.559 -6.299 -9.288 1.00 0.00 O ATOM 35 CB THR A 3 7.755 -4.683 -8.311 1.00 0.00 C ATOM 36 OG1 THR A 3 8.519 -3.863 -7.431 1.00 0.00 O ATOM 37 CG2 THR A 3 7.794 -3.935 -9.645 1.00 0.00 C ATOM 0 H THR A 3 6.762 -6.381 -6.510 1.00 0.00 H new ATOM 0 HA THR A 3 6.044 -3.665 -7.532 1.00 0.00 H new ATOM 0 HB THR A 3 8.096 -5.707 -8.459 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.440 -3.801 -7.759 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.808 -3.955 -10.044 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.117 -4.415 -10.351 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.485 -2.901 -9.492 1.00 0.00 H new ATOM 201 N ILE A 14 -8.582 0.637 -2.664 1.00 0.00 N ATOM 202 CA ILE A 14 -7.682 0.356 -1.558 1.00 0.00 C ATOM 203 C ILE A 14 -7.949 1.347 -0.424 1.00 0.00 C ATOM 204 O ILE A 14 -8.671 2.325 -0.608 1.00 0.00 O ATOM 205 CB ILE A 14 -6.229 0.347 -2.039 1.00 0.00 C ATOM 206 CG1 ILE A 14 -6.001 1.414 -3.112 1.00 0.00 C ATOM 207 CG2 ILE A 14 -5.819 -1.046 -2.520 1.00 0.00 C ATOM 208 CD1 ILE A 14 -6.087 2.820 -2.515 1.00 0.00 C ATOM 0 HA ILE A 14 -7.868 -0.641 -1.159 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.588 0.597 -1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.023 1.269 -3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.744 1.305 -3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.782 -1.024 -2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.920 -1.758 -1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.462 -1.350 -3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.921 3.559 -3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.074 2.970 -2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.327 2.934 -1.742 1.00 0.00 H new ATOM 219 N SER A 15 -7.351 1.060 0.722 1.00 0.00 N ATOM 220 CA SER A 15 -7.515 1.914 1.887 1.00 0.00 C ATOM 221 C SER A 15 -6.320 1.750 2.828 1.00 0.00 C ATOM 222 O SER A 15 -5.543 0.807 2.693 1.00 0.00 O ATOM 223 CB SER A 15 -8.818 1.597 2.623 1.00 0.00 C ATOM 224 OG SER A 15 -9.694 2.720 2.666 1.00 0.00 O ATOM 0 H SER A 15 -6.752 0.248 0.870 1.00 0.00 H new ATOM 0 HA SER A 15 -7.563 2.949 1.549 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.320 0.765 2.130 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.591 1.275 3.639 1.00 0.00 H new ATOM 0 HG SER A 15 -10.515 2.476 3.143 1.00 0.00 H new ATOM 229 N ILE A 16 -6.211 2.684 3.762 1.00 0.00 N ATOM 230 CA ILE A 16 -5.125 2.654 4.726 1.00 0.00 C ATOM 231 C ILE A 16 -5.698 2.789 6.139 1.00 0.00 C ATOM 232 O ILE A 16 -6.903 2.968 6.309 1.00 0.00 O ATOM 233 CB ILE A 16 -4.077 3.716 4.384 1.00 0.00 C ATOM 234 CG1 ILE A 16 -4.711 5.106 4.304 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.327 3.352 3.101 1.00 0.00 C ATOM 236 CD1 ILE A 16 -4.183 6.014 5.416 1.00 0.00 C ATOM 0 H ILE A 16 -6.857 3.466 3.871 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.604 1.698 4.683 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.343 3.744 5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.497 5.552 3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.795 5.020 4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.588 4.123 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.824 2.394 3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.034 3.280 2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.650 6.996 5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.420 5.577 6.386 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.102 6.117 5.319 1.00 0.00 H new ATOM 247 N VAL A 17 -4.807 2.697 7.115 1.00 0.00 N ATOM 248 CA VAL A 17 -5.209 2.806 8.507 1.00 0.00 C ATOM 249 C VAL A 17 -3.964 2.967 9.382 1.00 0.00 C ATOM 250 O VAL A 17 -2.842 2.782 8.912 1.00 0.00 O ATOM 251 CB VAL A 17 -6.064 1.600 8.901 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.349 0.288 8.568 1.00 0.00 C ATOM 253 CG2 VAL A 17 -6.443 1.656 10.382 1.00 0.00 C ATOM 0 H VAL A 17 -3.808 2.548 6.970 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.829 3.690 8.657 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.984 1.638 8.318 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.978 -0.553 8.858 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.153 0.242 7.497 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.406 0.240 9.112 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.050 0.787 10.635 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.538 1.656 10.989 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.011 2.565 10.578 1.00 0.00 H new ATOM 263 N GLY A 18 -4.203 3.309 10.640 1.00 0.00 N ATOM 264 CA GLY A 18 -3.115 3.497 11.585 1.00 0.00 C ATOM 265 C GLY A 18 -3.431 2.827 12.924 1.00 0.00 C ATOM 266 O GLY A 18 -4.326 1.988 13.007 1.00 0.00 O ATOM 0 H GLY A 18 -5.135 3.461 11.027 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.195 3.081 11.174 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.942 4.562 11.739 1.00 0.00 H new ATOM 366 N GLY A 27 3.150 3.064 11.665 1.00 0.00 N ATOM 367 CA GLY A 27 3.351 2.540 10.325 1.00 0.00 C ATOM 368 C GLY A 27 2.014 2.192 9.666 1.00 0.00 C ATOM 369 O GLY A 27 1.574 1.045 9.716 1.00 0.00 O ATOM 0 HA2 GLY A 27 3.879 3.276 9.718 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.981 1.652 10.369 1.00 0.00 H new ATOM 373 N ILE A 28 1.408 3.204 9.062 1.00 0.00 N ATOM 374 CA ILE A 28 0.131 3.019 8.394 1.00 0.00 C ATOM 375 C ILE A 28 0.189 1.756 7.534 1.00 0.00 C ATOM 376 O ILE A 28 1.186 1.504 6.859 1.00 0.00 O ATOM 377 CB ILE A 28 -0.252 4.278 7.613 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.294 5.501 8.531 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.569 4.078 6.862 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.174 5.238 9.755 1.00 0.00 C ATOM 0 H ILE A 28 1.777 4.154 9.021 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.664 2.871 9.125 1.00 0.00 H new ATOM 0 HB ILE A 28 0.519 4.464 6.865 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.716 5.754 8.853 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.678 6.360 7.981 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.818 4.988 6.315 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.466 3.250 6.161 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.363 3.854 7.574 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.187 6.123 10.391 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.189 5.010 9.431 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.774 4.394 10.316 1.00 0.00 H new ATOM 391 N TYR A 29 -0.895 0.994 7.585 1.00 0.00 N ATOM 392 CA TYR A 29 -0.980 -0.238 6.819 1.00 0.00 C ATOM 393 C TYR A 29 -2.310 -0.323 6.065 1.00 0.00 C ATOM 394 O TYR A 29 -3.345 0.098 6.577 1.00 0.00 O ATOM 395 CB TYR A 29 -0.913 -1.375 7.840 1.00 0.00 C ATOM 396 CG TYR A 29 -1.955 -1.274 8.955 1.00 0.00 C ATOM 397 CD1 TYR A 29 -1.758 -0.402 10.007 1.00 0.00 C ATOM 398 CD2 TYR A 29 -3.093 -2.053 8.909 1.00 0.00 C ATOM 399 CE1 TYR A 29 -2.739 -0.306 11.056 1.00 0.00 C ATOM 400 CE2 TYR A 29 -4.073 -1.958 9.959 1.00 0.00 C ATOM 401 CZ TYR A 29 -3.848 -1.088 10.980 1.00 0.00 C ATOM 402 OH TYR A 29 -4.776 -0.998 11.971 1.00 0.00 O ATOM 0 H TYR A 29 -1.721 1.206 8.145 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.177 -0.289 6.083 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.043 -2.324 7.320 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.081 -1.390 8.287 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.868 0.208 10.043 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.248 -2.734 8.085 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.597 0.372 11.885 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.967 -2.564 9.937 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.727 -0.112 12.386 1.00 0.00 H new ATOM 411 N ILE A 30 -2.236 -0.872 4.862 1.00 0.00 N ATOM 412 CA ILE A 30 -3.420 -1.018 4.033 1.00 0.00 C ATOM 413 C ILE A 30 -4.580 -1.522 4.893 1.00 0.00 C ATOM 414 O ILE A 30 -4.476 -2.568 5.531 1.00 0.00 O ATOM 415 CB ILE A 30 -3.121 -1.906 2.823 1.00 0.00 C ATOM 416 CG1 ILE A 30 -4.033 -1.555 1.646 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.210 -3.387 3.195 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.597 -0.245 0.985 1.00 0.00 C ATOM 0 H ILE A 30 -1.375 -1.221 4.441 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.720 -0.053 3.625 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.096 -1.715 2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.012 -2.361 0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.062 -1.466 1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.993 -3.996 2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.486 -3.609 3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.214 -3.612 3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.262 -0.019 0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.642 0.563 1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.576 -0.345 0.617 1.00 0.00 H new ATOM 429 N GLY A 31 -5.660 -0.753 4.882 1.00 0.00 N ATOM 430 CA GLY A 31 -6.839 -1.107 5.654 1.00 0.00 C ATOM 431 C GLY A 31 -7.360 -2.490 5.254 1.00 0.00 C ATOM 432 O GLY A 31 -7.670 -3.313 6.113 1.00 0.00 O ATOM 0 H GLY A 31 -5.743 0.114 4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.598 -1.098 6.717 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.618 -0.361 5.497 1.00 0.00 H new ATOM 436 N SER A 32 -7.443 -2.700 3.948 1.00 0.00 N ATOM 437 CA SER A 32 -7.922 -3.967 3.423 1.00 0.00 C ATOM 438 C SER A 32 -7.913 -3.937 1.894 1.00 0.00 C ATOM 439 O SER A 32 -7.725 -2.882 1.291 1.00 0.00 O ATOM 440 CB SER A 32 -9.326 -4.282 3.941 1.00 0.00 C ATOM 441 OG SER A 32 -9.313 -5.304 4.933 1.00 0.00 O ATOM 0 H SER A 32 -7.187 -2.014 3.238 1.00 0.00 H new ATOM 0 HA SER A 32 -7.253 -4.755 3.767 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.770 -3.378 4.358 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.958 -4.593 3.109 1.00 0.00 H new ATOM 0 HG SER A 32 -8.747 -5.025 5.683 1.00 0.00 H new ATOM 446 N ILE A 33 -8.121 -5.109 1.309 1.00 0.00 N ATOM 447 CA ILE A 33 -8.141 -5.229 -0.138 1.00 0.00 C ATOM 448 C ILE A 33 -9.441 -5.908 -0.572 1.00 0.00 C ATOM 449 O ILE A 33 -9.795 -6.966 -0.054 1.00 0.00 O ATOM 450 CB ILE A 33 -6.880 -5.941 -0.634 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.635 -5.088 -0.385 1.00 0.00 C ATOM 452 CG2 ILE A 33 -7.018 -6.339 -2.104 1.00 0.00 C ATOM 453 CD1 ILE A 33 -5.084 -5.321 1.023 1.00 0.00 C ATOM 0 H ILE A 33 -8.277 -5.983 1.812 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.126 -4.243 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.759 -6.861 -0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.870 -5.330 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.880 -4.034 -0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.109 -6.843 -2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.868 -7.012 -2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -7.176 -5.446 -2.709 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.199 -4.703 1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.843 -5.055 1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.817 -6.371 1.140 1.00 0.00 H new ATOM 464 N MET A 34 -10.116 -5.272 -1.518 1.00 0.00 N ATOM 465 CA MET A 34 -11.370 -5.802 -2.027 1.00 0.00 C ATOM 466 C MET A 34 -11.123 -6.826 -3.135 1.00 0.00 C ATOM 467 O MET A 34 -11.934 -6.966 -4.049 1.00 0.00 O ATOM 468 CB MET A 34 -12.224 -4.656 -2.573 1.00 0.00 C ATOM 469 CG MET A 34 -12.887 -3.875 -1.435 1.00 0.00 C ATOM 470 SD MET A 34 -14.649 -3.785 -1.703 1.00 0.00 S ATOM 471 CE MET A 34 -15.170 -3.142 -0.121 1.00 0.00 C ATOM 0 H MET A 34 -9.819 -4.395 -1.945 1.00 0.00 H new ATOM 0 HA MET A 34 -11.891 -6.299 -1.209 1.00 0.00 H new ATOM 0 HB2 MET A 34 -11.602 -3.985 -3.165 1.00 0.00 H new ATOM 0 HB3 MET A 34 -12.989 -5.054 -3.240 1.00 0.00 H new ATOM 0 HG2 MET A 34 -12.680 -4.360 -0.481 1.00 0.00 H new ATOM 0 HG3 MET A 34 -12.467 -2.871 -1.379 1.00 0.00 H new ATOM 0 HE1 MET A 34 -16.254 -3.023 -0.115 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.877 -3.835 0.668 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.698 -2.175 0.052 1.00 0.00 H new ATOM 595 N ILE A 45 -3.275 -10.422 -0.629 1.00 0.00 N ATOM 596 CA ILE A 45 -2.672 -9.334 0.123 1.00 0.00 C ATOM 597 C ILE A 45 -3.308 -9.267 1.513 1.00 0.00 C ATOM 598 O ILE A 45 -4.374 -9.838 1.739 1.00 0.00 O ATOM 599 CB ILE A 45 -2.765 -8.023 -0.661 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.854 -8.053 -1.890 1.00 0.00 C ATOM 601 CG2 ILE A 45 -2.473 -6.823 0.241 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.427 -8.448 -1.504 1.00 0.00 C ATOM 0 HA ILE A 45 -1.607 -9.516 0.268 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.788 -7.912 -1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.246 -8.760 -2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.848 -7.073 -2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.546 -5.904 -0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.197 -6.795 1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.468 -6.913 0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.200 -8.462 -2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.029 -7.725 -0.792 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.434 -9.439 -1.050 1.00 0.00 H new ATOM 613 N GLU A 46 -2.628 -8.566 2.407 1.00 0.00 N ATOM 614 CA GLU A 46 -3.113 -8.416 3.767 1.00 0.00 C ATOM 615 C GLU A 46 -3.159 -6.936 4.155 1.00 0.00 C ATOM 616 O GLU A 46 -2.531 -6.101 3.508 1.00 0.00 O ATOM 617 CB GLU A 46 -2.251 -9.213 4.748 1.00 0.00 C ATOM 618 CG GLU A 46 -2.528 -10.713 4.627 1.00 0.00 C ATOM 619 CD GLU A 46 -2.750 -11.343 6.004 1.00 0.00 C ATOM 620 OE1 GLU A 46 -1.926 -11.155 6.912 1.00 0.00 O ATOM 621 OE2 GLU A 46 -3.824 -12.048 6.114 1.00 0.00 O ATOM 0 H GLU A 46 -1.744 -8.095 2.215 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.126 -8.816 3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.197 -9.017 4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.454 -8.883 5.767 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.407 -10.875 4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.690 -11.202 4.130 1.00 0.00 H new ATOM 627 N PRO A 47 -3.931 -6.651 5.239 1.00 0.00 N ATOM 628 CA PRO A 47 -4.067 -5.287 5.721 1.00 0.00 C ATOM 629 C PRO A 47 -2.804 -4.836 6.458 1.00 0.00 C ATOM 630 O PRO A 47 -2.368 -3.695 6.309 1.00 0.00 O ATOM 631 CB PRO A 47 -5.299 -5.305 6.611 1.00 0.00 C ATOM 632 CG PRO A 47 -5.534 -6.764 6.966 1.00 0.00 C ATOM 633 CD PRO A 47 -4.690 -7.614 6.031 1.00 0.00 C ATOM 0 HA PRO A 47 -4.186 -4.566 4.912 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.142 -4.705 7.507 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.161 -4.885 6.093 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.261 -6.953 8.004 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.589 -7.017 6.863 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.029 -8.278 6.588 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.314 -8.244 5.397 1.00 0.00 H new ATOM 638 N GLY A 48 -2.252 -5.756 7.235 1.00 0.00 N ATOM 639 CA GLY A 48 -1.048 -5.468 7.996 1.00 0.00 C ATOM 640 C GLY A 48 0.204 -5.682 7.143 1.00 0.00 C ATOM 641 O GLY A 48 1.227 -6.149 7.641 1.00 0.00 O ATOM 0 H GLY A 48 -2.616 -6.701 7.354 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.077 -4.439 8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.007 -6.110 8.876 1.00 0.00 H new ATOM 645 N ASP A 49 0.082 -5.331 5.871 1.00 0.00 N ATOM 646 CA ASP A 49 1.190 -5.480 4.943 1.00 0.00 C ATOM 647 C ASP A 49 2.136 -4.287 5.091 1.00 0.00 C ATOM 648 O ASP A 49 3.318 -4.383 4.766 1.00 0.00 O ATOM 649 CB ASP A 49 0.696 -5.514 3.495 1.00 0.00 C ATOM 650 CG ASP A 49 1.502 -6.417 2.559 1.00 0.00 C ATOM 651 OD1 ASP A 49 0.936 -7.199 1.781 1.00 0.00 O ATOM 652 OD2 ASP A 49 2.783 -6.291 2.651 1.00 0.00 O ATOM 0 H ASP A 49 -0.768 -4.944 5.461 1.00 0.00 H new ATOM 0 HA ASP A 49 1.698 -6.416 5.172 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.343 -5.844 3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.710 -4.499 3.098 1.00 0.00 H new ATOM 657 N MET A 50 1.581 -3.189 5.582 1.00 0.00 N ATOM 658 CA MET A 50 2.360 -1.978 5.777 1.00 0.00 C ATOM 659 C MET A 50 2.589 -1.253 4.450 1.00 0.00 C ATOM 660 O MET A 50 3.720 -0.906 4.114 1.00 0.00 O ATOM 661 CB MET A 50 3.710 -2.335 6.403 1.00 0.00 C ATOM 662 CG MET A 50 3.986 -1.477 7.640 1.00 0.00 C ATOM 663 SD MET A 50 5.721 -1.067 7.723 1.00 0.00 S ATOM 664 CE MET A 50 6.069 -1.537 9.409 1.00 0.00 C ATOM 0 H MET A 50 0.600 -3.113 5.851 1.00 0.00 H new ATOM 0 HA MET A 50 1.805 -1.315 6.440 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.720 -3.390 6.678 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.504 -2.189 5.671 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.390 -0.565 7.601 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.687 -2.015 8.540 1.00 0.00 H new ATOM 0 HE1 MET A 50 7.119 -1.346 9.631 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.443 -0.955 10.086 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.858 -2.598 9.542 1.00 0.00 H new ATOM 672 N LEU A 51 1.495 -1.045 3.730 1.00 0.00 N ATOM 673 CA LEU A 51 1.562 -0.368 2.447 1.00 0.00 C ATOM 674 C LEU A 51 1.335 1.131 2.653 1.00 0.00 C ATOM 675 O LEU A 51 0.213 1.618 2.520 1.00 0.00 O ATOM 676 CB LEU A 51 0.589 -1.005 1.453 1.00 0.00 C ATOM 677 CG LEU A 51 0.592 -0.418 0.041 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.409 0.734 -0.076 1.00 0.00 C ATOM 679 CD2 LEU A 51 2.002 0.005 -0.375 1.00 0.00 C ATOM 0 H LEU A 51 0.558 -1.334 4.012 1.00 0.00 H new ATOM 0 HA LEU A 51 2.553 -0.484 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.817 -2.069 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.420 -0.921 1.858 1.00 0.00 H new ATOM 0 HG LEU A 51 0.272 -1.196 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.387 1.134 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.411 0.369 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.143 1.521 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.975 0.419 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.375 0.760 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.662 -0.862 -0.356 1.00 0.00 H new ATOM 690 N LEU A 52 2.419 1.822 2.977 1.00 0.00 N ATOM 691 CA LEU A 52 2.351 3.256 3.203 1.00 0.00 C ATOM 692 C LEU A 52 3.405 3.954 2.341 1.00 0.00 C ATOM 693 O LEU A 52 3.595 5.165 2.445 1.00 0.00 O ATOM 694 CB LEU A 52 2.473 3.568 4.696 1.00 0.00 C ATOM 695 CG LEU A 52 3.894 3.780 5.223 1.00 0.00 C ATOM 696 CD1 LEU A 52 4.843 2.706 4.689 1.00 0.00 C ATOM 697 CD2 LEU A 52 4.391 5.192 4.909 1.00 0.00 C ATOM 0 H LEU A 52 3.348 1.416 3.088 1.00 0.00 H new ATOM 0 HA LEU A 52 1.380 3.645 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.890 4.464 4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.017 2.752 5.256 1.00 0.00 H new ATOM 0 HG LEU A 52 3.874 3.680 6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.846 2.880 5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.496 1.723 5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.865 2.748 3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.403 5.316 5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.392 5.346 3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.732 5.922 5.379 1.00 0.00 H new ATOM 708 N GLN A 53 4.063 3.160 1.508 1.00 0.00 N ATOM 709 CA GLN A 53 5.093 3.687 0.630 1.00 0.00 C ATOM 710 C GLN A 53 4.915 3.135 -0.787 1.00 0.00 C ATOM 711 O GLN A 53 4.368 2.049 -0.970 1.00 0.00 O ATOM 712 CB GLN A 53 6.489 3.370 1.169 1.00 0.00 C ATOM 713 CG GLN A 53 6.569 1.927 1.670 1.00 0.00 C ATOM 714 CD GLN A 53 7.657 1.777 2.737 1.00 0.00 C ATOM 715 OE1 GLN A 53 7.920 2.673 3.522 1.00 0.00 O ATOM 716 NE2 GLN A 53 8.272 0.598 2.718 1.00 0.00 N ATOM 0 H GLN A 53 3.902 2.156 1.423 1.00 0.00 H new ATOM 0 HA GLN A 53 4.991 4.772 0.593 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.230 3.528 0.385 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.733 4.055 1.981 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.606 1.628 2.083 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.779 1.259 0.835 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.001 -0.107 2.033 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.014 0.399 3.389 1.00 0.00 H new ATOM 723 N VAL A 54 5.385 3.911 -1.753 1.00 0.00 N ATOM 724 CA VAL A 54 5.284 3.513 -3.147 1.00 0.00 C ATOM 725 C VAL A 54 6.581 3.876 -3.871 1.00 0.00 C ATOM 726 O VAL A 54 7.297 4.786 -3.454 1.00 0.00 O ATOM 727 CB VAL A 54 4.046 4.149 -3.784 1.00 0.00 C ATOM 728 CG1 VAL A 54 4.148 4.138 -5.311 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.768 3.450 -3.315 1.00 0.00 C ATOM 0 H VAL A 54 5.836 4.812 -1.598 1.00 0.00 H new ATOM 0 HA VAL A 54 5.157 2.433 -3.228 1.00 0.00 H new ATOM 0 HB VAL A 54 3.998 5.188 -3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.256 4.595 -5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.028 4.701 -5.621 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.232 3.110 -5.663 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.903 3.921 -3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.804 2.398 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.685 3.533 -2.231 1.00 0.00 H new ATOM 739 N ASN A 55 6.847 3.145 -4.944 1.00 0.00 N ATOM 740 CA ASN A 55 8.045 3.379 -5.731 1.00 0.00 C ATOM 741 C ASN A 55 9.207 3.716 -4.795 1.00 0.00 C ATOM 742 O ASN A 55 9.324 3.142 -3.713 1.00 0.00 O ATOM 743 CB ASN A 55 7.856 4.556 -6.690 1.00 0.00 C ATOM 744 CG ASN A 55 8.731 4.396 -7.935 1.00 0.00 C ATOM 745 OD1 ASN A 55 8.695 3.391 -8.625 1.00 0.00 O ATOM 746 ND2 ASN A 55 9.515 5.441 -8.182 1.00 0.00 N ATOM 0 H ASN A 55 6.253 2.390 -5.286 1.00 0.00 H new ATOM 0 HA ASN A 55 8.251 2.476 -6.305 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.809 4.625 -6.984 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.107 5.487 -6.182 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.136 5.433 -8.991 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.495 6.251 -7.563 1.00 0.00 H new ATOM 752 N ASP A 56 10.038 4.645 -5.244 1.00 0.00 N ATOM 753 CA ASP A 56 11.186 5.066 -4.459 1.00 0.00 C ATOM 754 C ASP A 56 10.720 6.004 -3.344 1.00 0.00 C ATOM 755 O ASP A 56 11.536 6.515 -2.577 1.00 0.00 O ATOM 756 CB ASP A 56 12.197 5.823 -5.323 1.00 0.00 C ATOM 757 CG ASP A 56 13.608 5.233 -5.336 1.00 0.00 C ATOM 758 OD1 ASP A 56 14.248 5.131 -6.392 1.00 0.00 O ATOM 759 OD2 ASP A 56 14.055 4.862 -4.184 1.00 0.00 O ATOM 0 H ASP A 56 9.939 5.118 -6.142 1.00 0.00 H new ATOM 0 HA ASP A 56 11.659 4.174 -4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.824 5.856 -6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.254 6.853 -4.971 1.00 0.00 H new ATOM 764 N VAL A 57 9.412 6.201 -3.288 1.00 0.00 N ATOM 765 CA VAL A 57 8.828 7.068 -2.279 1.00 0.00 C ATOM 766 C VAL A 57 8.650 6.283 -0.978 1.00 0.00 C ATOM 767 O VAL A 57 8.534 5.059 -0.999 1.00 0.00 O ATOM 768 CB VAL A 57 7.521 7.670 -2.798 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.542 7.928 -1.651 1.00 0.00 C ATOM 770 CG2 VAL A 57 7.783 8.950 -3.594 1.00 0.00 C ATOM 0 H VAL A 57 8.739 5.775 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 57 9.493 7.905 -2.065 1.00 0.00 H new ATOM 0 HB VAL A 57 7.064 6.945 -3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.621 8.356 -2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.317 6.988 -1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.989 8.624 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.837 9.357 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.274 9.683 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.425 8.724 -4.445 1.00 0.00 H new ATOM 780 N ASN A 58 8.634 7.019 0.123 1.00 0.00 N ATOM 781 CA ASN A 58 8.471 6.407 1.431 1.00 0.00 C ATOM 782 C ASN A 58 7.869 7.429 2.396 1.00 0.00 C ATOM 783 O ASN A 58 8.596 8.165 3.061 1.00 0.00 O ATOM 784 CB ASN A 58 9.818 5.957 2.000 1.00 0.00 C ATOM 785 CG ASN A 58 10.440 4.860 1.132 1.00 0.00 C ATOM 786 OD1 ASN A 58 11.115 5.118 0.150 1.00 0.00 O ATOM 787 ND2 ASN A 58 10.176 3.625 1.550 1.00 0.00 N ATOM 0 H ASN A 58 8.731 8.034 0.137 1.00 0.00 H new ATOM 0 HA ASN A 58 7.819 5.541 1.319 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.496 6.809 2.057 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.683 5.588 3.017 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.547 2.824 1.039 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.603 3.479 2.381 1.00 0.00 H new ATOM 793 N PHE A 59 6.545 7.442 2.443 1.00 0.00 N ATOM 794 CA PHE A 59 5.836 8.363 3.316 1.00 0.00 C ATOM 795 C PHE A 59 5.841 7.860 4.761 1.00 0.00 C ATOM 796 O PHE A 59 4.789 7.763 5.392 1.00 0.00 O ATOM 797 CB PHE A 59 4.391 8.429 2.818 1.00 0.00 C ATOM 798 CG PHE A 59 4.249 8.961 1.390 1.00 0.00 C ATOM 799 CD1 PHE A 59 5.131 9.882 0.916 1.00 0.00 C ATOM 800 CD2 PHE A 59 3.241 8.514 0.595 1.00 0.00 C ATOM 801 CE1 PHE A 59 4.999 10.376 -0.408 1.00 0.00 C ATOM 802 CE2 PHE A 59 3.110 9.008 -0.730 1.00 0.00 C ATOM 803 CZ PHE A 59 3.991 9.929 -1.204 1.00 0.00 C ATOM 0 H PHE A 59 5.944 6.830 1.891 1.00 0.00 H new ATOM 0 HA PHE A 59 6.318 9.340 3.297 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.954 7.432 2.868 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.814 9.064 3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.932 10.237 1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.540 7.783 0.971 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.699 11.107 -0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.310 8.652 -1.362 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.890 10.305 -2.211 1.00 0.00 H new ATOM 812 N GLU A 60 7.037 7.555 5.243 1.00 0.00 N ATOM 813 CA GLU A 60 7.193 7.066 6.602 1.00 0.00 C ATOM 814 C GLU A 60 6.790 8.148 7.606 1.00 0.00 C ATOM 815 O GLU A 60 5.721 8.073 8.210 1.00 0.00 O ATOM 816 CB GLU A 60 8.626 6.591 6.853 1.00 0.00 C ATOM 817 CG GLU A 60 8.945 5.349 6.018 1.00 0.00 C ATOM 818 CD GLU A 60 8.932 4.088 6.884 1.00 0.00 C ATOM 819 OE1 GLU A 60 8.036 3.243 6.734 1.00 0.00 O ATOM 820 OE2 GLU A 60 9.895 4.001 7.738 1.00 0.00 O ATOM 0 H GLU A 60 7.907 7.637 4.717 1.00 0.00 H new ATOM 0 HA GLU A 60 6.532 6.209 6.737 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.326 7.389 6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.759 6.366 7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.216 5.250 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.923 5.463 5.549 1.00 0.00 H new ATOM 826 N ASN A 61 7.668 9.129 7.754 1.00 0.00 N ATOM 827 CA ASN A 61 7.418 10.225 8.674 1.00 0.00 C ATOM 828 C ASN A 61 5.967 10.689 8.525 1.00 0.00 C ATOM 829 O ASN A 61 5.377 11.208 9.472 1.00 0.00 O ATOM 830 CB ASN A 61 8.329 11.417 8.372 1.00 0.00 C ATOM 831 CG ASN A 61 9.315 11.658 9.516 1.00 0.00 C ATOM 832 OD1 ASN A 61 9.719 10.749 10.223 1.00 0.00 O ATOM 833 ND2 ASN A 61 9.680 12.928 9.658 1.00 0.00 N ATOM 0 H ASN A 61 8.554 9.188 7.252 1.00 0.00 H new ATOM 0 HA ASN A 61 7.615 9.868 9.685 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.877 11.235 7.447 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.725 12.310 8.214 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.336 13.191 10.393 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.304 13.640 9.032 1.00 0.00 H new ATOM 839 N MET A 62 5.434 10.486 7.330 1.00 0.00 N ATOM 840 CA MET A 62 4.064 10.877 7.045 1.00 0.00 C ATOM 841 C MET A 62 3.082 10.138 7.956 1.00 0.00 C ATOM 842 O MET A 62 2.681 10.659 8.995 1.00 0.00 O ATOM 843 CB MET A 62 3.738 10.565 5.582 1.00 0.00 C ATOM 844 CG MET A 62 3.665 11.848 4.752 1.00 0.00 C ATOM 845 SD MET A 62 2.082 11.958 3.935 1.00 0.00 S ATOM 846 CE MET A 62 2.435 11.034 2.449 1.00 0.00 C ATOM 0 H MET A 62 5.926 10.056 6.547 1.00 0.00 H new ATOM 0 HA MET A 62 3.965 11.947 7.228 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.499 9.903 5.169 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.788 10.034 5.522 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.813 12.716 5.395 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.466 11.859 4.013 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.935 11.503 1.602 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.511 11.023 2.274 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.075 10.011 2.562 1.00 0.00 H new ATOM 854 N SER A 63 2.723 8.934 7.533 1.00 0.00 N ATOM 855 CA SER A 63 1.797 8.118 8.298 1.00 0.00 C ATOM 856 C SER A 63 0.751 9.008 8.975 1.00 0.00 C ATOM 857 O SER A 63 0.605 8.981 10.196 1.00 0.00 O ATOM 858 CB SER A 63 2.534 7.278 9.343 1.00 0.00 C ATOM 859 OG SER A 63 1.692 6.926 10.437 1.00 0.00 O ATOM 0 H SER A 63 3.057 8.505 6.670 1.00 0.00 H new ATOM 0 HA SER A 63 1.296 7.436 7.611 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.917 6.372 8.874 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.395 7.834 9.713 1.00 0.00 H new ATOM 0 HG SER A 63 1.315 7.739 10.834 1.00 0.00 H new ATOM 864 N ASN A 64 0.052 9.774 8.152 1.00 0.00 N ATOM 865 CA ASN A 64 -0.977 10.670 8.655 1.00 0.00 C ATOM 866 C ASN A 64 -2.301 9.911 8.759 1.00 0.00 C ATOM 867 O ASN A 64 -3.349 10.515 8.987 1.00 0.00 O ATOM 868 CB ASN A 64 -1.183 11.856 7.711 1.00 0.00 C ATOM 869 CG ASN A 64 -1.736 13.066 8.466 1.00 0.00 C ATOM 870 OD1 ASN A 64 -2.701 12.980 9.208 1.00 0.00 O ATOM 871 ND2 ASN A 64 -1.074 14.196 8.235 1.00 0.00 N ATOM 0 H ASN A 64 0.177 9.794 7.140 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.658 11.037 9.630 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.236 12.119 7.239 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.870 11.575 6.913 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.366 15.060 8.691 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.274 14.198 7.602 1.00 0.00 H new ATOM 877 N ASP A 65 -2.212 8.601 8.586 1.00 0.00 N ATOM 878 CA ASP A 65 -3.391 7.755 8.658 1.00 0.00 C ATOM 879 C ASP A 65 -4.345 8.120 7.519 1.00 0.00 C ATOM 880 O ASP A 65 -5.534 7.808 7.576 1.00 0.00 O ATOM 881 CB ASP A 65 -4.134 7.956 9.979 1.00 0.00 C ATOM 882 CG ASP A 65 -5.259 6.954 10.248 1.00 0.00 C ATOM 883 OD1 ASP A 65 -5.244 5.825 9.737 1.00 0.00 O ATOM 884 OD2 ASP A 65 -6.193 7.380 11.030 1.00 0.00 O ATOM 0 H ASP A 65 -1.342 8.104 8.396 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.066 6.717 8.582 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.414 7.899 10.796 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.553 8.962 9.993 1.00 0.00 H new ATOM 889 N ASP A 66 -3.789 8.775 6.510 1.00 0.00 N ATOM 890 CA ASP A 66 -4.576 9.185 5.360 1.00 0.00 C ATOM 891 C ASP A 66 -3.637 9.507 4.194 1.00 0.00 C ATOM 892 O ASP A 66 -3.956 10.341 3.349 1.00 0.00 O ATOM 893 CB ASP A 66 -5.392 10.442 5.670 1.00 0.00 C ATOM 894 CG ASP A 66 -4.564 11.700 5.940 1.00 0.00 C ATOM 895 OD1 ASP A 66 -3.491 11.897 5.350 1.00 0.00 O ATOM 896 OD2 ASP A 66 -5.069 12.509 6.808 1.00 0.00 O ATOM 0 H ASP A 66 -2.803 9.032 6.465 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.253 8.369 5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.061 10.638 4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.019 10.245 6.539 1.00 0.00 H new ATOM 901 N ALA A 67 -2.500 8.827 4.188 1.00 0.00 N ATOM 902 CA ALA A 67 -1.514 9.030 3.140 1.00 0.00 C ATOM 903 C ALA A 67 -2.174 8.821 1.776 1.00 0.00 C ATOM 904 O ALA A 67 -1.646 9.254 0.753 1.00 0.00 O ATOM 905 CB ALA A 67 -0.328 8.088 3.365 1.00 0.00 C ATOM 0 H ALA A 67 -2.240 8.136 4.891 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.130 10.050 3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.412 8.240 2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.124 8.298 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.675 7.055 3.342 1.00 0.00 H new ATOM 911 N VAL A 68 -3.319 8.156 1.805 1.00 0.00 N ATOM 912 CA VAL A 68 -4.058 7.884 0.583 1.00 0.00 C ATOM 913 C VAL A 68 -4.322 9.199 -0.152 1.00 0.00 C ATOM 914 O VAL A 68 -4.237 9.257 -1.378 1.00 0.00 O ATOM 915 CB VAL A 68 -5.339 7.112 0.907 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.430 7.404 -0.125 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.065 5.610 1.005 1.00 0.00 C ATOM 0 H VAL A 68 -3.754 7.797 2.655 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.473 7.251 -0.084 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.697 7.451 1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.330 6.843 0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.655 8.471 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.084 7.107 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.992 5.085 1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.671 5.249 0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.336 5.424 1.794 1.00 0.00 H new ATOM 927 N ARG A 69 -4.637 10.223 0.628 1.00 0.00 N ATOM 928 CA ARG A 69 -4.913 11.533 0.066 1.00 0.00 C ATOM 929 C ARG A 69 -3.869 11.888 -0.994 1.00 0.00 C ATOM 930 O ARG A 69 -4.133 12.695 -1.885 1.00 0.00 O ATOM 931 CB ARG A 69 -4.913 12.610 1.153 1.00 0.00 C ATOM 932 CG ARG A 69 -5.095 14.003 0.545 1.00 0.00 C ATOM 933 CD ARG A 69 -6.206 14.773 1.264 1.00 0.00 C ATOM 934 NE ARG A 69 -7.458 14.705 0.478 1.00 0.00 N ATOM 935 CZ ARG A 69 -8.691 14.857 1.006 1.00 0.00 C ATOM 936 NH1 ARG A 69 -8.848 15.085 2.327 1.00 0.00 N ATOM 937 NH2 ARG A 69 -9.742 14.776 0.211 1.00 0.00 N ATOM 0 H ARG A 69 -4.707 10.171 1.644 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.901 11.495 -0.392 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.714 12.413 1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.976 12.571 1.708 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.160 14.559 0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.336 13.913 -0.514 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.367 14.353 2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.909 15.813 1.402 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.385 14.533 -0.525 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.031 15.144 2.935 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.784 15.199 2.717 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.615 14.601 -0.786 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.681 14.888 0.594 1.00 0.00 H new ATOM 947 N VAL A 70 -2.705 11.270 -0.862 1.00 0.00 N ATOM 948 CA VAL A 70 -1.619 11.510 -1.798 1.00 0.00 C ATOM 949 C VAL A 70 -1.445 10.283 -2.696 1.00 0.00 C ATOM 950 O VAL A 70 -1.339 10.412 -3.915 1.00 0.00 O ATOM 951 CB VAL A 70 -0.344 11.879 -1.036 1.00 0.00 C ATOM 952 CG1 VAL A 70 0.776 10.878 -1.324 1.00 0.00 C ATOM 953 CG2 VAL A 70 0.096 13.306 -1.367 1.00 0.00 C ATOM 0 H VAL A 70 -2.490 10.603 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.852 12.356 -2.445 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.565 11.835 0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.670 11.163 -0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.461 9.881 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.996 10.875 -2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.004 13.544 -0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.291 13.388 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.693 14.004 -1.088 1.00 0.00 H new ATOM 963 N LEU A 71 -1.420 9.121 -2.059 1.00 0.00 N ATOM 964 CA LEU A 71 -1.260 7.874 -2.785 1.00 0.00 C ATOM 965 C LEU A 71 -2.238 7.843 -3.960 1.00 0.00 C ATOM 966 O LEU A 71 -1.873 7.454 -5.069 1.00 0.00 O ATOM 967 CB LEU A 71 -1.401 6.681 -1.837 1.00 0.00 C ATOM 968 CG LEU A 71 -0.463 5.500 -2.101 1.00 0.00 C ATOM 969 CD1 LEU A 71 0.669 5.459 -1.073 1.00 0.00 C ATOM 970 CD2 LEU A 71 -1.240 4.183 -2.151 1.00 0.00 C ATOM 0 H LEU A 71 -1.508 9.018 -1.048 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.256 7.804 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.235 7.030 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.429 6.322 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.004 5.640 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.321 4.611 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.245 6.382 -1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.249 5.354 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.550 3.360 -2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.745 4.022 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.980 4.227 -2.951 1.00 0.00 H new ATOM 981 N ARG A 72 -3.465 8.259 -3.679 1.00 0.00 N ATOM 982 CA ARG A 72 -4.499 8.284 -4.699 1.00 0.00 C ATOM 983 C ARG A 72 -4.100 9.226 -5.838 1.00 0.00 C ATOM 984 O ARG A 72 -4.615 9.115 -6.949 1.00 0.00 O ATOM 985 CB ARG A 72 -5.838 8.741 -4.115 1.00 0.00 C ATOM 986 CG ARG A 72 -6.931 8.742 -5.186 1.00 0.00 C ATOM 987 CD ARG A 72 -8.319 8.860 -4.553 1.00 0.00 C ATOM 988 NE ARG A 72 -8.933 10.156 -4.916 1.00 0.00 N ATOM 989 CZ ARG A 72 -10.263 10.387 -4.929 1.00 0.00 C ATOM 990 NH1 ARG A 72 -11.131 9.407 -4.597 1.00 0.00 N ATOM 991 NH2 ARG A 72 -10.702 11.584 -5.271 1.00 0.00 N ATOM 0 H ARG A 72 -3.766 8.581 -2.759 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.609 7.270 -5.083 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.126 8.081 -3.297 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.734 9.742 -3.696 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.770 9.572 -5.874 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.872 7.825 -5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.953 8.041 -4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.242 8.776 -3.469 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.312 10.924 -5.173 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.783 8.485 -4.334 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.135 9.589 -4.609 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.039 12.318 -5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.704 11.775 -5.286 1.00 0.00 H new ATOM 1001 N GLU A 73 -3.184 10.130 -5.520 1.00 0.00 N ATOM 1002 CA GLU A 73 -2.710 11.090 -6.502 1.00 0.00 C ATOM 1003 C GLU A 73 -1.729 10.421 -7.467 1.00 0.00 C ATOM 1004 O GLU A 73 -1.500 10.918 -8.568 1.00 0.00 O ATOM 1005 CB GLU A 73 -2.069 12.301 -5.820 1.00 0.00 C ATOM 1006 CG GLU A 73 -0.543 12.242 -5.920 1.00 0.00 C ATOM 1007 CD GLU A 73 0.092 13.518 -5.362 1.00 0.00 C ATOM 1008 OE1 GLU A 73 -0.117 13.851 -4.185 1.00 0.00 O ATOM 1009 OE2 GLU A 73 0.828 14.171 -6.196 1.00 0.00 O ATOM 0 H GLU A 73 -2.758 10.217 -4.597 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.566 11.448 -7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.432 13.218 -6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.367 12.333 -4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.172 11.377 -5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.248 12.110 -6.961 1.00 0.00 H new ATOM 1015 N ILE A 74 -1.174 9.305 -7.018 1.00 0.00 N ATOM 1016 CA ILE A 74 -0.223 8.563 -7.827 1.00 0.00 C ATOM 1017 C ILE A 74 -0.940 7.988 -9.051 1.00 0.00 C ATOM 1018 O ILE A 74 -1.053 8.654 -10.078 1.00 0.00 O ATOM 1019 CB ILE A 74 0.492 7.507 -6.982 1.00 0.00 C ATOM 1020 CG1 ILE A 74 1.092 8.130 -5.720 1.00 0.00 C ATOM 1021 CG2 ILE A 74 1.541 6.761 -7.808 1.00 0.00 C ATOM 1022 CD1 ILE A 74 2.561 8.500 -5.936 1.00 0.00 C ATOM 0 H ILE A 74 -1.365 8.896 -6.103 1.00 0.00 H new ATOM 0 HA ILE A 74 0.560 9.225 -8.197 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.245 6.771 -6.659 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.526 9.020 -5.445 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.008 7.429 -4.889 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.034 6.016 -7.183 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.057 6.265 -8.649 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.281 7.469 -8.181 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.963 8.941 -5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.129 7.604 -6.187 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.639 9.219 -6.751 1.00 0.00 H new ATOM 1033 N VAL A 75 -1.406 6.757 -8.900 1.00 0.00 N ATOM 1034 CA VAL A 75 -2.110 6.086 -9.979 1.00 0.00 C ATOM 1035 C VAL A 75 -2.987 7.098 -10.718 1.00 0.00 C ATOM 1036 O VAL A 75 -3.109 7.043 -11.941 1.00 0.00 O ATOM 1037 CB VAL A 75 -2.901 4.898 -9.429 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -2.103 3.599 -9.559 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -3.319 5.142 -7.978 1.00 0.00 C ATOM 0 H VAL A 75 -1.310 6.207 -8.046 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.402 5.681 -10.702 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.807 4.795 -10.026 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.689 2.771 -9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.879 3.413 -10.609 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.171 3.687 -9.000 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.880 4.282 -7.611 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.431 5.285 -7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.945 6.033 -7.925 1.00 0.00 H new ATOM 1049 N SER A 76 -3.575 7.999 -9.946 1.00 0.00 N ATOM 1050 CA SER A 76 -4.437 9.022 -10.512 1.00 0.00 C ATOM 1051 C SER A 76 -3.698 9.775 -11.621 1.00 0.00 C ATOM 1052 O SER A 76 -4.126 9.765 -12.774 1.00 0.00 O ATOM 1053 CB SER A 76 -4.914 9.999 -9.435 1.00 0.00 C ATOM 1054 OG SER A 76 -5.421 11.206 -9.996 1.00 0.00 O ATOM 0 H SER A 76 -3.471 8.042 -8.932 1.00 0.00 H new ATOM 0 HA SER A 76 -5.314 8.533 -10.935 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.690 9.525 -8.834 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.087 10.231 -8.764 1.00 0.00 H new ATOM 0 HG SER A 76 -5.717 11.802 -9.277 1.00 0.00 H new ATOM 1059 N GLN A 77 -2.601 10.408 -11.232 1.00 0.00 N ATOM 1060 CA GLN A 77 -1.799 11.164 -12.179 1.00 0.00 C ATOM 1061 C GLN A 77 -0.325 10.774 -12.055 1.00 0.00 C ATOM 1062 O GLN A 77 0.028 9.606 -12.215 1.00 0.00 O ATOM 1063 CB GLN A 77 -1.986 12.669 -11.979 1.00 0.00 C ATOM 1064 CG GLN A 77 -3.459 13.061 -12.114 1.00 0.00 C ATOM 1065 CD GLN A 77 -3.624 14.261 -13.047 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -3.463 15.407 -12.662 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -3.952 13.936 -14.295 1.00 0.00 N ATOM 0 H GLN A 77 -2.249 10.413 -10.275 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.137 10.921 -13.186 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.618 12.957 -10.994 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.392 13.214 -12.713 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.030 12.216 -12.498 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.867 13.301 -11.132 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.072 12.956 -14.552 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.084 14.667 -14.994 1.00 0.00 H new ATOM 1074 N THR A 78 0.497 11.774 -11.773 1.00 0.00 N ATOM 1075 CA THR A 78 1.926 11.551 -11.626 1.00 0.00 C ATOM 1076 C THR A 78 2.188 10.406 -10.643 1.00 0.00 C ATOM 1077 O THR A 78 1.253 9.755 -10.179 1.00 0.00 O ATOM 1078 CB THR A 78 2.571 12.872 -11.206 1.00 0.00 C ATOM 1079 OG1 THR A 78 1.799 13.294 -10.084 1.00 0.00 O ATOM 1080 CG2 THR A 78 2.361 13.980 -12.240 1.00 0.00 C ATOM 0 H THR A 78 0.201 12.741 -11.642 1.00 0.00 H new ATOM 0 HA THR A 78 2.377 11.239 -12.568 1.00 0.00 H new ATOM 0 HB THR A 78 3.639 12.721 -11.047 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.150 14.144 -9.746 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.838 14.896 -11.893 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.801 13.679 -13.191 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.294 14.155 -12.374 1.00 0.00 H new ATOM 1088 N GLY A 79 3.465 10.197 -10.356 1.00 0.00 N ATOM 1089 CA GLY A 79 3.862 9.144 -9.438 1.00 0.00 C ATOM 1090 C GLY A 79 3.776 7.771 -10.107 1.00 0.00 C ATOM 1091 O GLY A 79 2.695 7.332 -10.496 1.00 0.00 O ATOM 0 H GLY A 79 4.237 10.739 -10.743 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.881 9.322 -9.094 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.220 9.164 -8.557 1.00 0.00 H new ATOM 1095 N PRO A 80 4.961 7.114 -10.225 1.00 0.00 N ATOM 1096 CA PRO A 80 5.030 5.801 -10.842 1.00 0.00 C ATOM 1097 C PRO A 80 4.488 4.724 -9.900 1.00 0.00 C ATOM 1098 O PRO A 80 4.577 4.859 -8.680 1.00 0.00 O ATOM 1099 CB PRO A 80 6.498 5.604 -11.186 1.00 0.00 C ATOM 1100 CG PRO A 80 7.262 6.606 -10.336 1.00 0.00 C ATOM 1101 CD PRO A 80 6.262 7.604 -9.778 1.00 0.00 C ATOM 0 HA PRO A 80 4.411 5.724 -11.736 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.817 4.584 -10.969 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.677 5.775 -12.247 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.786 6.098 -9.526 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.017 7.116 -10.934 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.315 7.652 -8.690 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.456 8.610 -10.151 1.00 0.00 H new ATOM 1106 N ILE A 81 3.938 3.679 -10.501 1.00 0.00 N ATOM 1107 CA ILE A 81 3.381 2.580 -9.732 1.00 0.00 C ATOM 1108 C ILE A 81 4.519 1.691 -9.224 1.00 0.00 C ATOM 1109 O ILE A 81 5.518 1.500 -9.915 1.00 0.00 O ATOM 1110 CB ILE A 81 2.332 1.828 -10.553 1.00 0.00 C ATOM 1111 CG1 ILE A 81 0.928 2.371 -10.280 1.00 0.00 C ATOM 1112 CG2 ILE A 81 2.422 0.320 -10.307 1.00 0.00 C ATOM 1113 CD1 ILE A 81 -0.028 2.019 -11.421 1.00 0.00 C ATOM 0 H ILE A 81 3.866 3.571 -11.513 1.00 0.00 H new ATOM 0 HA ILE A 81 2.854 2.957 -8.855 1.00 0.00 H new ATOM 0 HB ILE A 81 2.541 1.995 -11.610 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.550 1.959 -9.344 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.970 3.453 -10.157 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.666 -0.192 -10.902 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.411 -0.037 -10.593 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.253 0.113 -9.250 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.019 2.417 -11.201 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.340 2.453 -12.351 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.087 0.936 -11.525 1.00 0.00 H new ATOM 1124 N SER A 82 4.328 1.172 -8.020 1.00 0.00 N ATOM 1125 CA SER A 82 5.325 0.308 -7.412 1.00 0.00 C ATOM 1126 C SER A 82 5.140 0.282 -5.894 1.00 0.00 C ATOM 1127 O SER A 82 6.098 0.464 -5.145 1.00 0.00 O ATOM 1128 CB SER A 82 6.742 0.767 -7.766 1.00 0.00 C ATOM 1129 OG SER A 82 7.328 -0.046 -8.780 1.00 0.00 O ATOM 0 H SER A 82 3.498 1.333 -7.450 1.00 0.00 H new ATOM 0 HA SER A 82 5.189 -0.699 -7.805 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.714 1.803 -8.103 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.366 0.739 -6.873 1.00 0.00 H new ATOM 0 HG SER A 82 6.930 0.175 -9.648 1.00 0.00 H new ATOM 1134 N LEU A 83 3.900 0.054 -5.485 1.00 0.00 N ATOM 1135 CA LEU A 83 3.577 0.002 -4.069 1.00 0.00 C ATOM 1136 C LEU A 83 4.774 -0.557 -3.297 1.00 0.00 C ATOM 1137 O LEU A 83 5.488 -1.425 -3.795 1.00 0.00 O ATOM 1138 CB LEU A 83 2.281 -0.779 -3.844 1.00 0.00 C ATOM 1139 CG LEU A 83 1.948 -1.843 -4.892 1.00 0.00 C ATOM 1140 CD1 LEU A 83 3.135 -2.783 -5.115 1.00 0.00 C ATOM 1141 CD2 LEU A 83 0.676 -2.605 -4.516 1.00 0.00 C ATOM 0 H LEU A 83 3.108 -0.097 -6.109 1.00 0.00 H new ATOM 0 HA LEU A 83 3.389 1.004 -3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.336 -1.263 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.455 -0.069 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 83 1.753 -1.340 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.872 -3.530 -5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.994 -2.208 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.385 -3.281 -4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.462 -3.355 -5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.817 -3.096 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.159 -1.908 -4.449 1.00 0.00 H new ATOM 1152 N THR A 84 4.956 -0.034 -2.093 1.00 0.00 N ATOM 1153 CA THR A 84 6.054 -0.470 -1.247 1.00 0.00 C ATOM 1154 C THR A 84 5.585 -0.618 0.202 1.00 0.00 C ATOM 1155 O THR A 84 4.771 0.171 0.679 1.00 0.00 O ATOM 1156 CB THR A 84 7.204 0.526 -1.414 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.586 0.388 -2.780 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.454 0.113 -0.634 1.00 0.00 C ATOM 0 H THR A 84 4.362 0.687 -1.684 1.00 0.00 H new ATOM 0 HA THR A 84 6.413 -1.456 -1.542 1.00 0.00 H new ATOM 0 HB THR A 84 6.880 1.513 -1.084 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.326 1.000 -2.976 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.239 0.853 -0.787 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.216 0.050 0.428 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.798 -0.859 -0.987 1.00 0.00 H new ATOM 1166 N VAL A 85 6.120 -1.636 0.862 1.00 0.00 N ATOM 1167 CA VAL A 85 5.766 -1.899 2.246 1.00 0.00 C ATOM 1168 C VAL A 85 7.033 -2.229 3.037 1.00 0.00 C ATOM 1169 O VAL A 85 8.012 -2.714 2.473 1.00 0.00 O ATOM 1170 CB VAL A 85 4.711 -3.004 2.317 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.499 -2.662 1.447 1.00 0.00 C ATOM 1172 CG2 VAL A 85 5.306 -4.356 1.919 1.00 0.00 C ATOM 0 H VAL A 85 6.796 -2.288 0.463 1.00 0.00 H new ATOM 0 HA VAL A 85 5.320 -1.015 2.701 1.00 0.00 H new ATOM 0 HB VAL A 85 4.372 -3.077 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.764 -3.464 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.053 -1.730 1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.816 -2.548 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.535 -5.124 1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.686 -4.300 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.122 -4.608 2.596 1.00 0.00 H new ATOM 1182 N ALA A 86 6.971 -1.955 4.333 1.00 0.00 N ATOM 1183 CA ALA A 86 8.101 -2.218 5.207 1.00 0.00 C ATOM 1184 C ALA A 86 7.846 -3.508 5.990 1.00 0.00 C ATOM 1185 O ALA A 86 8.140 -3.583 7.182 1.00 0.00 O ATOM 1186 CB ALA A 86 8.328 -1.014 6.125 1.00 0.00 C ATOM 0 H ALA A 86 6.156 -1.554 4.798 1.00 0.00 H new ATOM 0 HA ALA A 86 9.011 -2.360 4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.176 -1.211 6.781 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.534 -0.130 5.521 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.436 -0.842 6.727 1.00 0.00 H new