USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 220 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 55 THR OG1 : rot -8:sc= 1.04 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.111 USER MOD Single : A 1 MET CE :methyl -162:sc= 0 (180deg=-0.111) USER MOD Single : A 1 MET N :NH3+ 157:sc= 2.35 (180deg=1.21) USER MOD Single : A 2 GLN : amide:sc= 1.05 K(o=1,f=-1.2) USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 0.256 (180deg=0.128!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 9 THR OG1 : rot -81:sc= 0.142 USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 1.23 (180deg=0.423) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 91:sc= 0.0772 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0506 USER MOD Single : A 25 ASN : amide:sc= 1.15 K(o=1.1,f=-0.9) USER MOD Single : A 27 LYS NZ :NH3+ -108:sc= 0.666 (180deg=0.369) USER MOD Single : A 29 LYS NZ :NH3+ -131:sc= 0.623 (180deg=-2.39!) USER MOD Single : A 31 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ -130:sc= 0.285 (180deg=-1.53!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 41 GLN : amide:sc= 1.15 K(o=1.2,f=-5.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.46 X(o=0.46,f=-0.0022) USER MOD Single : A 59 TYR OH : rot -39:sc= 1.03 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 62 GLN : amide:sc= 0.718 K(o=0.72,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 102:sc= 0.615 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-7.3!) USER MOD Single : B 387 SER OG : rot 180:sc= 0.0953 USER MOD Single : B 389 THR OG1 : rot 180:sc= 0.049 USER MOD Single : B 393 GLN : amide:sc= -1.25 K(o=-1.2,f=-0.017) USER MOD Single : B 394 THR OG1 : rot -150:sc= -0.582 USER MOD Single : B 396 LYS NZ :NH3+ 178:sc= 1.2 (180deg=1.15) USER MOD Single : B 397 GLN : amide:sc= 1.16 K(o=1.2,f=-0.013) USER MOD Single : B 399 MET CE :methyl 150:sc= -3.21! (180deg=-4.11!) USER MOD Single : B 410 LYS NZ :NH3+ -166:sc= 1.23 (180deg=1.07) USER MOD Single : B 413 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.388) USER MOD Single : B 414 GLN : amide:sc= 0.165 X(o=0.16,f=0) USER MOD Single : B 415 THR OG1 : rot -88:sc= 1.28 USER MOD Single : B 416 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : B 418 ASN : amide:sc= 0.0536 K(o=0.054,f=-7.9!) USER MOD Single : B 424 SER OG : rot 78:sc= 0.888 USER MOD Single : B 428 GLN : amide:sc= -0.0867 K(o=-0.087,f=-10!) USER MOD Single : B 429 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.324 7.051 -1.475 1.00 1.53 N ATOM 2 CA MET A 1 -11.370 8.178 -1.561 1.00 1.60 C ATOM 3 C MET A 1 -10.224 7.822 -2.501 1.00 1.51 C ATOM 4 O MET A 1 -9.978 6.646 -2.770 1.00 1.37 O ATOM 5 CB MET A 1 -10.839 8.560 -0.174 1.00 1.65 C ATOM 6 CG MET A 1 -9.964 7.506 0.484 1.00 1.51 C ATOM 7 SD MET A 1 -9.528 7.933 2.180 1.00 1.60 S ATOM 8 CE MET A 1 -8.443 6.574 2.601 1.00 1.45 C ATOM 0 H1 MET A 1 -12.861 7.117 -0.587 1.00 1.53 H new ATOM 0 H2 MET A 1 -12.981 7.090 -2.280 1.00 1.53 H new ATOM 0 H3 MET A 1 -11.802 6.152 -1.498 1.00 1.53 H new ATOM 0 HA MET A 1 -11.896 9.044 -1.963 1.00 1.60 H new ATOM 0 HB2 MET A 1 -10.268 9.484 -0.261 1.00 1.65 H new ATOM 0 HB3 MET A 1 -11.686 8.769 0.479 1.00 1.65 H new ATOM 0 HG2 MET A 1 -10.485 6.549 0.476 1.00 1.51 H new ATOM 0 HG3 MET A 1 -9.053 7.378 -0.101 1.00 1.51 H new ATOM 0 HE1 MET A 1 -8.344 6.509 3.685 1.00 1.45 H new ATOM 0 HE2 MET A 1 -8.861 5.643 2.219 1.00 1.45 H new ATOM 0 HE3 MET A 1 -7.462 6.741 2.157 1.00 1.45 H new ATOM 12 N GLN A 2 -9.526 8.832 -3.000 1.00 1.62 N ATOM 13 CA GLN A 2 -8.416 8.605 -3.916 1.00 1.58 C ATOM 14 C GLN A 2 -7.079 8.784 -3.208 1.00 1.57 C ATOM 15 O GLN A 2 -6.882 9.756 -2.473 1.00 1.68 O ATOM 16 CB GLN A 2 -8.498 9.560 -5.110 1.00 1.74 C ATOM 17 CG GLN A 2 -9.831 9.545 -5.841 1.00 1.80 C ATOM 18 CD GLN A 2 -10.146 8.208 -6.478 1.00 1.80 C ATOM 19 OE1 GLN A 2 -9.248 7.468 -6.875 1.00 1.90 O ATOM 20 NE2 GLN A 2 -11.425 7.896 -6.585 1.00 1.92 N ATOM 0 H GLN A 2 -9.707 9.813 -2.788 1.00 1.62 H new ATOM 0 HA GLN A 2 -8.487 7.578 -4.275 1.00 1.58 H new ATOM 0 HB2 GLN A 2 -8.301 10.574 -4.762 1.00 1.74 H new ATOM 0 HB3 GLN A 2 -7.708 9.306 -5.817 1.00 1.74 H new ATOM 0 HG2 GLN A 2 -10.625 9.803 -5.140 1.00 1.80 H new ATOM 0 HG3 GLN A 2 -9.824 10.315 -6.612 1.00 1.80 H new ATOM 0 HE21 GLN A 2 -12.138 8.540 -6.242 1.00 1.92 H new ATOM 0 HE22 GLN A 2 -11.700 7.011 -7.011 1.00 1.92 H new ATOM 24 N ILE A 3 -6.171 7.844 -3.422 1.00 1.45 N ATOM 25 CA ILE A 3 -4.843 7.906 -2.819 1.00 1.44 C ATOM 26 C ILE A 3 -3.775 7.708 -3.887 1.00 1.48 C ATOM 27 O ILE A 3 -4.084 7.337 -5.024 1.00 1.48 O ATOM 28 CB ILE A 3 -4.644 6.857 -1.702 1.00 1.28 C ATOM 29 CG1 ILE A 3 -4.854 5.437 -2.239 1.00 1.13 C ATOM 30 CG2 ILE A 3 -5.565 7.136 -0.521 1.00 1.30 C ATOM 31 CD1 ILE A 3 -4.260 4.357 -1.360 1.00 1.00 C ATOM 0 H ILE A 3 -6.328 7.026 -4.010 1.00 1.45 H new ATOM 0 HA ILE A 3 -4.750 8.893 -2.365 1.00 1.44 H new ATOM 0 HB ILE A 3 -3.615 6.933 -1.350 1.00 1.28 H new ATOM 0 HG12 ILE A 3 -5.923 5.255 -2.350 1.00 1.13 H new ATOM 0 HG13 ILE A 3 -4.414 5.366 -3.234 1.00 1.13 H new ATOM 0 HG21 ILE A 3 -5.405 6.383 0.251 1.00 1.30 H new ATOM 0 HG22 ILE A 3 -5.347 8.124 -0.115 1.00 1.30 H new ATOM 0 HG23 ILE A 3 -6.603 7.101 -0.853 1.00 1.30 H new ATOM 0 HD11 ILE A 3 -4.449 3.380 -1.806 1.00 1.00 H new ATOM 0 HD12 ILE A 3 -3.185 4.512 -1.269 1.00 1.00 H new ATOM 0 HD13 ILE A 3 -4.718 4.400 -0.372 1.00 1.00 H new ATOM 33 N PHE A 4 -2.525 7.956 -3.524 1.00 1.53 N ATOM 34 CA PHE A 4 -1.415 7.805 -4.456 1.00 1.60 C ATOM 35 C PHE A 4 -0.360 6.876 -3.872 1.00 1.50 C ATOM 36 O PHE A 4 -0.015 6.984 -2.698 1.00 1.52 O ATOM 37 CB PHE A 4 -0.787 9.167 -4.766 1.00 1.79 C ATOM 38 CG PHE A 4 -1.760 10.199 -5.261 1.00 1.91 C ATOM 39 CD1 PHE A 4 -2.288 10.116 -6.541 1.00 1.99 C ATOM 40 CD2 PHE A 4 -2.147 11.253 -4.450 1.00 1.98 C ATOM 41 CE1 PHE A 4 -3.183 11.066 -6.999 1.00 2.13 C ATOM 42 CE2 PHE A 4 -3.040 12.205 -4.902 1.00 2.11 C ATOM 43 CZ PHE A 4 -3.559 12.111 -6.179 1.00 2.17 C ATOM 0 H PHE A 4 -2.253 8.263 -2.590 1.00 1.53 H new ATOM 0 HA PHE A 4 -1.800 7.374 -5.380 1.00 1.60 H new ATOM 0 HB2 PHE A 4 -0.303 9.544 -3.865 1.00 1.79 H new ATOM 0 HB3 PHE A 4 -0.007 9.032 -5.515 1.00 1.79 H new ATOM 0 HD1 PHE A 4 -1.997 9.301 -7.187 1.00 1.99 H new ATOM 0 HD2 PHE A 4 -1.745 11.332 -3.451 1.00 1.98 H new ATOM 0 HE1 PHE A 4 -3.587 10.990 -7.998 1.00 2.13 H new ATOM 0 HE2 PHE A 4 -3.332 13.021 -4.258 1.00 2.11 H new ATOM 0 HZ PHE A 4 -4.258 12.854 -6.535 1.00 2.17 H new ATOM 45 N VAL A 5 0.134 5.957 -4.685 1.00 1.44 N ATOM 46 CA VAL A 5 1.155 5.018 -4.242 1.00 1.38 C ATOM 47 C VAL A 5 2.431 5.198 -5.058 1.00 1.54 C ATOM 48 O VAL A 5 2.420 5.058 -6.280 1.00 1.65 O ATOM 49 CB VAL A 5 0.669 3.557 -4.352 1.00 1.23 C ATOM 50 CG1 VAL A 5 1.749 2.593 -3.883 1.00 1.20 C ATOM 51 CG2 VAL A 5 -0.606 3.357 -3.547 1.00 1.09 C ATOM 0 H VAL A 5 -0.155 5.840 -5.656 1.00 1.44 H new ATOM 0 HA VAL A 5 1.362 5.230 -3.193 1.00 1.38 H new ATOM 0 HB VAL A 5 0.454 3.348 -5.400 1.00 1.23 H new ATOM 0 HG11 VAL A 5 1.385 1.569 -3.969 1.00 1.20 H new ATOM 0 HG12 VAL A 5 2.639 2.715 -4.501 1.00 1.20 H new ATOM 0 HG13 VAL A 5 1.998 2.803 -2.843 1.00 1.20 H new ATOM 0 HG21 VAL A 5 -0.934 2.321 -3.636 1.00 1.09 H new ATOM 0 HG22 VAL A 5 -0.415 3.588 -2.499 1.00 1.09 H new ATOM 0 HG23 VAL A 5 -1.384 4.018 -3.928 1.00 1.09 H new ATOM 53 N LYS A 6 3.524 5.512 -4.378 1.00 1.60 N ATOM 54 CA LYS A 6 4.803 5.715 -5.039 1.00 1.77 C ATOM 55 C LYS A 6 5.662 4.461 -4.987 1.00 1.74 C ATOM 56 O LYS A 6 5.871 3.874 -3.926 1.00 1.67 O ATOM 57 CB LYS A 6 5.555 6.904 -4.435 1.00 1.92 C ATOM 58 CG LYS A 6 5.255 8.232 -5.112 1.00 2.31 C ATOM 59 CD LYS A 6 6.248 9.307 -4.696 1.00 2.39 C ATOM 60 CE LYS A 6 5.979 9.794 -3.282 1.00 2.94 C ATOM 61 NZ LYS A 6 6.915 10.875 -2.874 1.00 3.16 N ATOM 0 H LYS A 6 3.550 5.632 -3.365 1.00 1.60 H new ATOM 0 HA LYS A 6 4.594 5.937 -6.085 1.00 1.77 H new ATOM 0 HB2 LYS A 6 5.303 6.981 -3.377 1.00 1.92 H new ATOM 0 HB3 LYS A 6 6.626 6.711 -4.494 1.00 1.92 H new ATOM 0 HG2 LYS A 6 5.287 8.105 -6.194 1.00 2.31 H new ATOM 0 HG3 LYS A 6 4.244 8.551 -4.858 1.00 2.31 H new ATOM 0 HD2 LYS A 6 7.262 8.912 -4.759 1.00 2.39 H new ATOM 0 HD3 LYS A 6 6.189 10.146 -5.389 1.00 2.39 H new ATOM 0 HE2 LYS A 6 4.954 10.158 -3.214 1.00 2.94 H new ATOM 0 HE3 LYS A 6 6.067 8.958 -2.588 1.00 2.94 H new ATOM 0 HZ1 LYS A 6 6.774 11.094 -1.867 1.00 3.16 H new ATOM 0 HZ2 LYS A 6 7.895 10.562 -3.026 1.00 3.16 H new ATOM 0 HZ3 LYS A 6 6.731 11.726 -3.443 1.00 3.16 H new ATOM 66 N THR A 7 6.151 4.056 -6.142 1.00 1.83 N ATOM 67 CA THR A 7 6.991 2.877 -6.251 1.00 1.86 C ATOM 68 C THR A 7 8.464 3.280 -6.257 1.00 2.03 C ATOM 69 O THR A 7 8.796 4.432 -6.548 1.00 2.17 O ATOM 70 CB THR A 7 6.672 2.118 -7.551 1.00 1.89 C ATOM 71 OG1 THR A 7 5.455 2.637 -8.108 1.00 2.06 O ATOM 72 CG2 THR A 7 6.508 0.630 -7.279 1.00 1.93 C ATOM 0 H THR A 7 5.979 4.531 -7.028 1.00 1.83 H new ATOM 0 HA THR A 7 6.793 2.232 -5.395 1.00 1.86 H new ATOM 0 HB THR A 7 7.496 2.254 -8.251 1.00 1.89 H new ATOM 0 HG1 THR A 7 5.245 2.160 -8.938 1.00 2.06 H new ATOM 0 HG21 THR A 7 6.283 0.112 -8.211 1.00 1.93 H new ATOM 0 HG22 THR A 7 7.432 0.233 -6.857 1.00 1.93 H new ATOM 0 HG23 THR A 7 5.692 0.477 -6.573 1.00 1.93 H new ATOM 75 N LEU A 8 9.340 2.331 -5.943 1.00 2.06 N ATOM 76 CA LEU A 8 10.782 2.585 -5.912 1.00 2.24 C ATOM 77 C LEU A 8 11.300 3.037 -7.279 1.00 2.36 C ATOM 78 O LEU A 8 12.277 3.777 -7.368 1.00 2.52 O ATOM 79 CB LEU A 8 11.535 1.328 -5.472 1.00 2.30 C ATOM 80 CG LEU A 8 12.445 1.458 -4.245 1.00 2.43 C ATOM 81 CD1 LEU A 8 13.354 0.246 -4.140 1.00 2.53 C ATOM 82 CD2 LEU A 8 13.262 2.741 -4.293 1.00 3.05 C ATOM 0 H LEU A 8 9.078 1.374 -5.705 1.00 2.06 H new ATOM 0 HA LEU A 8 10.958 3.386 -5.194 1.00 2.24 H new ATOM 0 HB2 LEU A 8 10.802 0.547 -5.269 1.00 2.30 H new ATOM 0 HB3 LEU A 8 12.142 0.986 -6.310 1.00 2.30 H new ATOM 0 HG LEU A 8 11.814 1.504 -3.357 1.00 2.43 H new ATOM 0 HD11 LEU A 8 13.997 0.348 -3.265 1.00 2.53 H new ATOM 0 HD12 LEU A 8 12.749 -0.655 -4.043 1.00 2.53 H new ATOM 0 HD13 LEU A 8 13.970 0.174 -5.036 1.00 2.53 H new ATOM 0 HD21 LEU A 8 13.896 2.802 -3.409 1.00 3.05 H new ATOM 0 HD22 LEU A 8 13.885 2.742 -5.187 1.00 3.05 H new ATOM 0 HD23 LEU A 8 12.591 3.599 -4.318 1.00 3.05 H new ATOM 84 N THR A 9 10.629 2.604 -8.335 1.00 2.35 N ATOM 85 CA THR A 9 11.017 2.950 -9.696 1.00 2.50 C ATOM 86 C THR A 9 10.554 4.359 -10.077 1.00 2.54 C ATOM 87 O THR A 9 10.290 4.637 -11.248 1.00 2.69 O ATOM 88 CB THR A 9 10.401 1.938 -10.678 1.00 2.52 C ATOM 89 OG1 THR A 9 9.327 1.247 -10.017 1.00 2.43 O ATOM 90 CG2 THR A 9 11.446 0.928 -11.131 1.00 2.70 C ATOM 0 H THR A 9 9.805 2.006 -8.275 1.00 2.35 H new ATOM 0 HA THR A 9 12.105 2.922 -9.749 1.00 2.50 H new ATOM 0 HB THR A 9 10.029 2.470 -11.554 1.00 2.52 H new ATOM 0 HG1 THR A 9 9.694 0.529 -9.460 1.00 2.43 H new ATOM 0 HG21 THR A 9 10.992 0.221 -11.825 1.00 2.70 H new ATOM 0 HG22 THR A 9 12.264 1.449 -11.628 1.00 2.70 H new ATOM 0 HG23 THR A 9 11.831 0.390 -10.265 1.00 2.70 H new ATOM 93 N GLY A 10 10.465 5.243 -9.082 1.00 2.46 N ATOM 94 CA GLY A 10 10.029 6.609 -9.319 1.00 2.53 C ATOM 95 C GLY A 10 8.721 6.683 -10.085 1.00 2.48 C ATOM 96 O GLY A 10 8.597 7.443 -11.044 1.00 2.64 O ATOM 0 H GLY A 10 10.689 5.033 -8.109 1.00 2.46 H new ATOM 0 HA2 GLY A 10 9.915 7.120 -8.363 1.00 2.53 H new ATOM 0 HA3 GLY A 10 10.801 7.141 -9.875 1.00 2.53 H new ATOM 98 N LYS A 11 7.748 5.886 -9.669 1.00 2.34 N ATOM 99 CA LYS A 11 6.450 5.857 -10.328 1.00 2.29 C ATOM 100 C LYS A 11 5.340 6.076 -9.309 1.00 2.13 C ATOM 101 O LYS A 11 5.515 5.793 -8.127 1.00 2.04 O ATOM 102 CB LYS A 11 6.258 4.516 -11.050 1.00 2.26 C ATOM 103 CG LYS A 11 5.043 4.462 -11.965 1.00 2.23 C ATOM 104 CD LYS A 11 4.987 3.159 -12.747 1.00 2.23 C ATOM 105 CE LYS A 11 4.722 1.967 -11.842 1.00 2.24 C ATOM 106 NZ LYS A 11 4.598 0.703 -12.615 1.00 2.28 N ATOM 0 H LYS A 11 7.833 5.249 -8.877 1.00 2.34 H new ATOM 0 HA LYS A 11 6.408 6.659 -11.064 1.00 2.29 H new ATOM 0 HB2 LYS A 11 7.150 4.303 -11.639 1.00 2.26 H new ATOM 0 HB3 LYS A 11 6.172 3.725 -10.305 1.00 2.26 H new ATOM 0 HG2 LYS A 11 4.135 4.570 -11.372 1.00 2.23 H new ATOM 0 HG3 LYS A 11 5.072 5.302 -12.659 1.00 2.23 H new ATOM 0 HD2 LYS A 11 4.204 3.222 -13.503 1.00 2.23 H new ATOM 0 HD3 LYS A 11 5.929 3.012 -13.275 1.00 2.23 H new ATOM 0 HE2 LYS A 11 5.532 1.873 -11.119 1.00 2.24 H new ATOM 0 HE3 LYS A 11 3.807 2.138 -11.275 1.00 2.24 H new ATOM 0 HZ1 LYS A 11 4.706 -0.108 -11.973 1.00 2.28 H new ATOM 0 HZ2 LYS A 11 3.663 0.664 -13.068 1.00 2.28 H new ATOM 0 HZ3 LYS A 11 5.338 0.668 -13.345 1.00 2.28 H new ATOM 111 N THR A 12 4.211 6.601 -9.760 1.00 2.14 N ATOM 112 CA THR A 12 3.084 6.850 -8.878 1.00 2.02 C ATOM 113 C THR A 12 1.807 6.230 -9.444 1.00 1.94 C ATOM 114 O THR A 12 1.397 6.534 -10.563 1.00 2.04 O ATOM 115 CB THR A 12 2.887 8.361 -8.645 1.00 2.16 C ATOM 116 OG1 THR A 12 4.169 8.962 -8.403 1.00 2.31 O ATOM 117 CG2 THR A 12 1.993 8.598 -7.438 1.00 2.08 C ATOM 0 H THR A 12 4.052 6.863 -10.733 1.00 2.14 H new ATOM 0 HA THR A 12 3.302 6.382 -7.918 1.00 2.02 H new ATOM 0 HB THR A 12 2.418 8.801 -9.525 1.00 2.16 H new ATOM 0 HG1 THR A 12 4.057 9.924 -8.255 1.00 2.31 H new ATOM 0 HG21 THR A 12 1.863 9.670 -7.286 1.00 2.08 H new ATOM 0 HG22 THR A 12 1.021 8.135 -7.609 1.00 2.08 H new ATOM 0 HG23 THR A 12 2.453 8.159 -6.553 1.00 2.08 H new ATOM 120 N ILE A 13 1.202 5.341 -8.673 1.00 1.78 N ATOM 121 CA ILE A 13 -0.017 4.660 -9.086 1.00 1.71 C ATOM 122 C ILE A 13 -1.222 5.214 -8.331 1.00 1.61 C ATOM 123 O ILE A 13 -1.130 5.509 -7.139 1.00 1.55 O ATOM 124 CB ILE A 13 0.089 3.144 -8.816 1.00 1.64 C ATOM 125 CG1 ILE A 13 1.458 2.617 -9.261 1.00 1.76 C ATOM 126 CG2 ILE A 13 -1.028 2.390 -9.524 1.00 1.83 C ATOM 127 CD1 ILE A 13 1.939 1.420 -8.469 1.00 1.77 C ATOM 0 H ILE A 13 1.538 5.071 -7.749 1.00 1.78 H new ATOM 0 HA ILE A 13 -0.147 4.830 -10.155 1.00 1.71 H new ATOM 0 HB ILE A 13 -0.015 2.979 -7.744 1.00 1.64 H new ATOM 0 HG12 ILE A 13 1.407 2.346 -10.316 1.00 1.76 H new ATOM 0 HG13 ILE A 13 2.192 3.418 -9.172 1.00 1.76 H new ATOM 0 HG21 ILE A 13 -0.933 1.323 -9.320 1.00 1.83 H new ATOM 0 HG22 ILE A 13 -1.993 2.745 -9.162 1.00 1.83 H new ATOM 0 HG23 ILE A 13 -0.959 2.561 -10.598 1.00 1.83 H new ATOM 0 HD11 ILE A 13 2.913 1.105 -8.842 1.00 1.77 H new ATOM 0 HD12 ILE A 13 2.023 1.690 -7.416 1.00 1.77 H new ATOM 0 HD13 ILE A 13 1.227 0.602 -8.578 1.00 1.77 H new ATOM 129 N THR A 14 -2.337 5.370 -9.028 1.00 1.65 N ATOM 130 CA THR A 14 -3.555 5.876 -8.419 1.00 1.60 C ATOM 131 C THR A 14 -4.432 4.714 -7.953 1.00 1.45 C ATOM 132 O THR A 14 -4.601 3.727 -8.672 1.00 1.49 O ATOM 133 CB THR A 14 -4.346 6.730 -9.424 1.00 1.78 C ATOM 134 OG1 THR A 14 -3.438 7.301 -10.381 1.00 2.02 O ATOM 135 CG2 THR A 14 -5.088 7.844 -8.703 1.00 1.85 C ATOM 0 H THR A 14 -2.422 5.152 -10.021 1.00 1.65 H new ATOM 0 HA THR A 14 -3.277 6.492 -7.564 1.00 1.60 H new ATOM 0 HB THR A 14 -5.072 6.096 -9.934 1.00 1.78 H new ATOM 0 HG1 THR A 14 -3.940 7.845 -11.024 1.00 2.02 H new ATOM 0 HG21 THR A 14 -5.643 8.440 -9.428 1.00 1.85 H new ATOM 0 HG22 THR A 14 -5.781 7.412 -7.981 1.00 1.85 H new ATOM 0 HG23 THR A 14 -4.372 8.480 -8.182 1.00 1.85 H new ATOM 138 N LEU A 15 -4.970 4.825 -6.746 1.00 1.33 N ATOM 139 CA LEU A 15 -5.822 3.781 -6.199 1.00 1.19 C ATOM 140 C LEU A 15 -7.066 4.362 -5.544 1.00 1.18 C ATOM 141 O LEU A 15 -6.998 5.369 -4.835 1.00 1.24 O ATOM 142 CB LEU A 15 -5.053 2.928 -5.185 1.00 1.08 C ATOM 143 CG LEU A 15 -4.096 1.878 -5.755 1.00 1.14 C ATOM 144 CD1 LEU A 15 -3.337 1.191 -4.632 1.00 1.14 C ATOM 145 CD2 LEU A 15 -4.855 0.854 -6.586 1.00 1.28 C ATOM 0 H LEU A 15 -4.831 5.626 -6.129 1.00 1.33 H new ATOM 0 HA LEU A 15 -6.136 3.150 -7.031 1.00 1.19 H new ATOM 0 HB2 LEU A 15 -4.481 3.597 -4.542 1.00 1.08 H new ATOM 0 HB3 LEU A 15 -5.778 2.419 -4.550 1.00 1.08 H new ATOM 0 HG LEU A 15 -3.379 2.382 -6.404 1.00 1.14 H new ATOM 0 HD11 LEU A 15 -2.660 0.447 -5.052 1.00 1.14 H new ATOM 0 HD12 LEU A 15 -2.762 1.931 -4.075 1.00 1.14 H new ATOM 0 HD13 LEU A 15 -4.043 0.701 -3.962 1.00 1.14 H new ATOM 0 HD21 LEU A 15 -4.156 0.117 -6.982 1.00 1.28 H new ATOM 0 HD22 LEU A 15 -5.595 0.354 -5.961 1.00 1.28 H new ATOM 0 HD23 LEU A 15 -5.359 1.357 -7.412 1.00 1.28 H new ATOM 147 N GLU A 16 -8.199 3.722 -5.794 1.00 1.14 N ATOM 148 CA GLU A 16 -9.465 4.145 -5.220 1.00 1.16 C ATOM 149 C GLU A 16 -9.860 3.180 -4.111 1.00 1.04 C ATOM 150 O GLU A 16 -10.253 2.041 -4.375 1.00 1.01 O ATOM 151 CB GLU A 16 -10.556 4.187 -6.291 1.00 1.26 C ATOM 152 CG GLU A 16 -11.912 4.634 -5.772 1.00 1.39 C ATOM 153 CD GLU A 16 -12.940 4.757 -6.871 1.00 1.79 C ATOM 154 OE1 GLU A 16 -12.959 5.800 -7.555 1.00 2.24 O ATOM 155 OE2 GLU A 16 -13.738 3.813 -7.056 1.00 2.40 O ATOM 0 H GLU A 16 -8.266 2.901 -6.396 1.00 1.14 H new ATOM 0 HA GLU A 16 -9.351 5.149 -4.810 1.00 1.16 H new ATOM 0 HB2 GLU A 16 -10.243 4.861 -7.088 1.00 1.26 H new ATOM 0 HB3 GLU A 16 -10.656 3.196 -6.733 1.00 1.26 H new ATOM 0 HG2 GLU A 16 -12.265 3.921 -5.027 1.00 1.39 H new ATOM 0 HG3 GLU A 16 -11.806 5.595 -5.269 1.00 1.39 H new ATOM 157 N VAL A 17 -9.740 3.631 -2.877 1.00 1.04 N ATOM 158 CA VAL A 17 -10.065 2.802 -1.724 1.00 0.99 C ATOM 159 C VAL A 17 -10.804 3.613 -0.669 1.00 1.10 C ATOM 160 O VAL A 17 -11.016 4.811 -0.835 1.00 1.25 O ATOM 161 CB VAL A 17 -8.795 2.195 -1.083 1.00 0.94 C ATOM 162 CG1 VAL A 17 -8.261 1.038 -1.915 1.00 0.89 C ATOM 163 CG2 VAL A 17 -7.727 3.261 -0.902 1.00 1.05 C ATOM 0 H VAL A 17 -9.419 4.570 -2.643 1.00 1.04 H new ATOM 0 HA VAL A 17 -10.702 1.994 -2.084 1.00 0.99 H new ATOM 0 HB VAL A 17 -9.066 1.806 -0.101 1.00 0.94 H new ATOM 0 HG11 VAL A 17 -7.368 0.631 -1.441 1.00 0.89 H new ATOM 0 HG12 VAL A 17 -9.021 0.260 -1.986 1.00 0.89 H new ATOM 0 HG13 VAL A 17 -8.011 1.394 -2.915 1.00 0.89 H new ATOM 0 HG21 VAL A 17 -6.841 2.815 -0.450 1.00 1.05 H new ATOM 0 HG22 VAL A 17 -7.466 3.683 -1.873 1.00 1.05 H new ATOM 0 HG23 VAL A 17 -8.107 4.050 -0.254 1.00 1.05 H new ATOM 165 N GLU A 18 -11.185 2.956 0.411 1.00 1.13 N ATOM 166 CA GLU A 18 -11.888 3.608 1.504 1.00 1.27 C ATOM 167 C GLU A 18 -11.165 3.324 2.812 1.00 1.30 C ATOM 168 O GLU A 18 -10.444 2.338 2.909 1.00 1.20 O ATOM 169 CB GLU A 18 -13.331 3.101 1.575 1.00 1.33 C ATOM 170 CG GLU A 18 -14.272 3.788 0.598 1.00 1.44 C ATOM 171 CD GLU A 18 -14.557 5.225 0.985 1.00 1.63 C ATOM 172 OE1 GLU A 18 -15.499 5.453 1.773 1.00 1.85 O ATOM 173 OE2 GLU A 18 -13.848 6.131 0.503 1.00 1.77 O ATOM 0 H GLU A 18 -11.018 1.960 0.556 1.00 1.13 H new ATOM 0 HA GLU A 18 -11.906 4.684 1.332 1.00 1.27 H new ATOM 0 HB2 GLU A 18 -13.339 2.029 1.380 1.00 1.33 H new ATOM 0 HB3 GLU A 18 -13.707 3.244 2.588 1.00 1.33 H new ATOM 0 HG2 GLU A 18 -13.836 3.763 -0.401 1.00 1.44 H new ATOM 0 HG3 GLU A 18 -15.210 3.234 0.550 1.00 1.44 H new ATOM 175 N PRO A 19 -11.325 4.187 3.829 1.00 1.46 N ATOM 176 CA PRO A 19 -10.675 4.005 5.138 1.00 1.53 C ATOM 177 C PRO A 19 -10.926 2.621 5.744 1.00 1.49 C ATOM 178 O PRO A 19 -10.088 2.092 6.475 1.00 1.51 O ATOM 179 CB PRO A 19 -11.324 5.086 6.004 1.00 1.73 C ATOM 180 CG PRO A 19 -11.728 6.144 5.036 1.00 1.78 C ATOM 181 CD PRO A 19 -12.123 5.426 3.776 1.00 1.61 C ATOM 0 HA PRO A 19 -9.590 4.082 5.061 1.00 1.53 H new ATOM 0 HB2 PRO A 19 -12.184 4.696 6.548 1.00 1.73 H new ATOM 0 HB3 PRO A 19 -10.626 5.472 6.746 1.00 1.73 H new ATOM 0 HG2 PRO A 19 -12.558 6.733 5.426 1.00 1.78 H new ATOM 0 HG3 PRO A 19 -10.907 6.836 4.849 1.00 1.78 H new ATOM 0 HD2 PRO A 19 -13.192 5.215 3.751 1.00 1.61 H new ATOM 0 HD3 PRO A 19 -11.893 6.015 2.888 1.00 1.61 H new ATOM 182 N SER A 20 -12.077 2.037 5.425 1.00 1.49 N ATOM 183 CA SER A 20 -12.453 0.724 5.937 1.00 1.52 C ATOM 184 C SER A 20 -11.766 -0.417 5.179 1.00 1.37 C ATOM 185 O SER A 20 -11.911 -1.588 5.537 1.00 1.43 O ATOM 186 CB SER A 20 -13.970 0.570 5.847 1.00 1.64 C ATOM 187 OG SER A 20 -14.581 1.830 5.614 1.00 1.80 O ATOM 0 H SER A 20 -12.772 2.458 4.808 1.00 1.49 H new ATOM 0 HA SER A 20 -12.124 0.661 6.974 1.00 1.52 H new ATOM 0 HB2 SER A 20 -14.225 -0.120 5.042 1.00 1.64 H new ATOM 0 HB3 SER A 20 -14.354 0.138 6.771 1.00 1.64 H new ATOM 0 HG SER A 20 -14.667 1.978 4.649 1.00 1.80 H new ATOM 190 N ASP A 21 -11.019 -0.076 4.135 1.00 1.23 N ATOM 191 CA ASP A 21 -10.323 -1.079 3.336 1.00 1.10 C ATOM 192 C ASP A 21 -9.091 -1.589 4.074 1.00 1.08 C ATOM 193 O ASP A 21 -8.337 -0.806 4.660 1.00 1.12 O ATOM 194 CB ASP A 21 -9.919 -0.506 1.975 1.00 0.99 C ATOM 195 CG ASP A 21 -10.282 -1.418 0.822 1.00 0.99 C ATOM 196 OD1 ASP A 21 -9.966 -2.620 0.885 1.00 1.14 O ATOM 197 OD2 ASP A 21 -10.881 -0.930 -0.163 1.00 1.15 O ATOM 0 H ASP A 21 -10.880 0.885 3.822 1.00 1.23 H new ATOM 0 HA ASP A 21 -11.006 -1.913 3.172 1.00 1.10 H new ATOM 0 HB2 ASP A 21 -10.404 0.460 1.834 1.00 0.99 H new ATOM 0 HB3 ASP A 21 -8.844 -0.327 1.966 1.00 0.99 H new ATOM 199 N THR A 22 -8.903 -2.900 4.056 1.00 1.06 N ATOM 200 CA THR A 22 -7.773 -3.526 4.719 1.00 1.08 C ATOM 201 C THR A 22 -6.526 -3.425 3.846 1.00 0.94 C ATOM 202 O THR A 22 -6.620 -3.495 2.617 1.00 0.83 O ATOM 203 CB THR A 22 -8.076 -5.010 4.995 1.00 1.21 C ATOM 204 OG1 THR A 22 -9.470 -5.256 4.758 1.00 1.42 O ATOM 205 CG2 THR A 22 -7.742 -5.365 6.436 1.00 1.44 C ATOM 0 H THR A 22 -9.526 -3.555 3.584 1.00 1.06 H new ATOM 0 HA THR A 22 -7.598 -3.008 5.662 1.00 1.08 H new ATOM 0 HB THR A 22 -7.466 -5.624 4.333 1.00 1.21 H new ATOM 0 HG1 THR A 22 -9.670 -6.200 4.930 1.00 1.42 H new ATOM 0 HG21 THR A 22 -7.963 -6.418 6.612 1.00 1.44 H new ATOM 0 HG22 THR A 22 -6.684 -5.181 6.620 1.00 1.44 H new ATOM 0 HG23 THR A 22 -8.340 -4.751 7.110 1.00 1.44 H new ATOM 208 N ILE A 23 -5.365 -3.266 4.479 1.00 0.95 N ATOM 209 CA ILE A 23 -4.098 -3.143 3.758 1.00 0.85 C ATOM 210 C ILE A 23 -3.879 -4.328 2.818 1.00 0.83 C ATOM 211 O ILE A 23 -3.485 -4.146 1.665 1.00 0.75 O ATOM 212 CB ILE A 23 -2.897 -2.997 4.719 1.00 0.92 C ATOM 213 CG1 ILE A 23 -3.029 -1.720 5.558 1.00 0.99 C ATOM 214 CG2 ILE A 23 -1.572 -3.010 3.960 1.00 0.85 C ATOM 215 CD1 ILE A 23 -3.036 -0.440 4.748 1.00 0.92 C ATOM 0 H ILE A 23 -5.275 -3.219 5.494 1.00 0.95 H new ATOM 0 HA ILE A 23 -4.163 -2.232 3.163 1.00 0.85 H new ATOM 0 HB ILE A 23 -2.902 -3.855 5.391 1.00 0.92 H new ATOM 0 HG12 ILE A 23 -3.950 -1.774 6.138 1.00 0.99 H new ATOM 0 HG13 ILE A 23 -2.205 -1.681 6.271 1.00 0.99 H new ATOM 0 HG21 ILE A 23 -0.748 -2.905 4.665 1.00 0.85 H new ATOM 0 HG22 ILE A 23 -1.471 -3.952 3.421 1.00 0.85 H new ATOM 0 HG23 ILE A 23 -1.550 -2.182 3.251 1.00 0.85 H new ATOM 0 HD11 ILE A 23 -3.133 0.414 5.418 1.00 0.92 H new ATOM 0 HD12 ILE A 23 -2.104 -0.359 4.188 1.00 0.92 H new ATOM 0 HD13 ILE A 23 -3.876 -0.453 4.054 1.00 0.92 H new ATOM 217 N GLU A 24 -4.163 -5.532 3.310 1.00 0.96 N ATOM 218 CA GLU A 24 -4.004 -6.743 2.510 1.00 1.02 C ATOM 219 C GLU A 24 -4.857 -6.674 1.245 1.00 0.94 C ATOM 220 O GLU A 24 -4.425 -7.091 0.170 1.00 0.94 O ATOM 221 CB GLU A 24 -4.373 -7.983 3.326 1.00 1.21 C ATOM 222 CG GLU A 24 -3.972 -9.296 2.672 1.00 1.38 C ATOM 223 CD GLU A 24 -4.571 -10.499 3.368 1.00 1.71 C ATOM 224 OE1 GLU A 24 -5.719 -10.871 3.041 1.00 2.22 O ATOM 225 OE2 GLU A 24 -3.903 -11.078 4.253 1.00 2.13 O ATOM 0 H GLU A 24 -4.504 -5.694 4.258 1.00 0.96 H new ATOM 0 HA GLU A 24 -2.956 -6.817 2.218 1.00 1.02 H new ATOM 0 HB2 GLU A 24 -3.897 -7.916 4.304 1.00 1.21 H new ATOM 0 HB3 GLU A 24 -5.450 -7.987 3.495 1.00 1.21 H new ATOM 0 HG2 GLU A 24 -4.288 -9.290 1.629 1.00 1.38 H new ATOM 0 HG3 GLU A 24 -2.885 -9.382 2.675 1.00 1.38 H new ATOM 227 N ASN A 25 -6.061 -6.126 1.377 1.00 0.91 N ATOM 228 CA ASN A 25 -6.970 -5.997 0.245 1.00 0.86 C ATOM 229 C ASN A 25 -6.434 -4.964 -0.736 1.00 0.71 C ATOM 230 O ASN A 25 -6.550 -5.125 -1.950 1.00 0.72 O ATOM 231 CB ASN A 25 -8.372 -5.596 0.706 1.00 0.90 C ATOM 232 CG ASN A 25 -9.416 -5.790 -0.380 1.00 1.03 C ATOM 233 OD1 ASN A 25 -9.394 -6.782 -1.109 1.00 1.23 O ATOM 234 ND2 ASN A 25 -10.333 -4.845 -0.500 1.00 1.11 N ATOM 0 H ASN A 25 -6.429 -5.764 2.257 1.00 0.91 H new ATOM 0 HA ASN A 25 -7.037 -6.967 -0.248 1.00 0.86 H new ATOM 0 HB2 ASN A 25 -8.647 -6.186 1.580 1.00 0.90 H new ATOM 0 HB3 ASN A 25 -8.364 -4.551 1.017 1.00 0.90 H new ATOM 0 HD21 ASN A 25 -11.055 -4.923 -1.216 1.00 1.11 H new ATOM 0 HD22 ASN A 25 -10.318 -4.038 0.123 1.00 1.11 H new ATOM 238 N VAL A 26 -5.840 -3.904 -0.198 1.00 0.63 N ATOM 239 CA VAL A 26 -5.265 -2.847 -1.018 1.00 0.56 C ATOM 240 C VAL A 26 -4.138 -3.413 -1.876 1.00 0.60 C ATOM 241 O VAL A 26 -4.038 -3.112 -3.066 1.00 0.64 O ATOM 242 CB VAL A 26 -4.729 -1.680 -0.157 1.00 0.55 C ATOM 243 CG1 VAL A 26 -4.049 -0.630 -1.026 1.00 0.58 C ATOM 244 CG2 VAL A 26 -5.856 -1.048 0.648 1.00 0.61 C ATOM 0 H VAL A 26 -5.745 -3.755 0.807 1.00 0.63 H new ATOM 0 HA VAL A 26 -6.056 -2.455 -1.657 1.00 0.56 H new ATOM 0 HB VAL A 26 -3.989 -2.084 0.534 1.00 0.55 H new ATOM 0 HG11 VAL A 26 -3.681 0.180 -0.397 1.00 0.58 H new ATOM 0 HG12 VAL A 26 -3.214 -1.084 -1.559 1.00 0.58 H new ATOM 0 HG13 VAL A 26 -4.766 -0.234 -1.745 1.00 0.58 H new ATOM 0 HG21 VAL A 26 -5.460 -0.229 1.248 1.00 0.61 H new ATOM 0 HG22 VAL A 26 -6.618 -0.665 -0.031 1.00 0.61 H new ATOM 0 HG23 VAL A 26 -6.299 -1.797 1.305 1.00 0.61 H new ATOM 246 N LYS A 27 -3.309 -4.258 -1.268 1.00 0.66 N ATOM 247 CA LYS A 27 -2.194 -4.883 -1.973 1.00 0.76 C ATOM 248 C LYS A 27 -2.699 -5.772 -3.107 1.00 0.84 C ATOM 249 O LYS A 27 -2.069 -5.870 -4.162 1.00 0.93 O ATOM 250 CB LYS A 27 -1.314 -5.684 -1.011 1.00 0.88 C ATOM 251 CG LYS A 27 -0.771 -4.873 0.156 1.00 0.96 C ATOM 252 CD LYS A 27 0.566 -5.406 0.652 1.00 1.06 C ATOM 253 CE LYS A 27 0.529 -6.911 0.874 1.00 1.32 C ATOM 254 NZ LYS A 27 1.500 -7.343 1.914 1.00 1.29 N ATOM 0 H LYS A 27 -3.389 -4.526 -0.287 1.00 0.66 H new ATOM 0 HA LYS A 27 -1.585 -4.089 -2.405 1.00 0.76 H new ATOM 0 HB2 LYS A 27 -1.891 -6.522 -0.620 1.00 0.88 H new ATOM 0 HB3 LYS A 27 -0.477 -6.106 -1.567 1.00 0.88 H new ATOM 0 HG2 LYS A 27 -0.655 -3.833 -0.149 1.00 0.96 H new ATOM 0 HG3 LYS A 27 -1.492 -4.887 0.973 1.00 0.96 H new ATOM 0 HD2 LYS A 27 1.344 -5.165 -0.072 1.00 1.06 H new ATOM 0 HD3 LYS A 27 0.832 -4.908 1.584 1.00 1.06 H new ATOM 0 HE2 LYS A 27 -0.477 -7.209 1.170 1.00 1.32 H new ATOM 0 HE3 LYS A 27 0.750 -7.422 -0.063 1.00 1.32 H new ATOM 0 HZ1 LYS A 27 2.292 -7.844 1.463 1.00 1.29 H new ATOM 0 HZ2 LYS A 27 1.861 -6.509 2.420 1.00 1.29 H new ATOM 0 HZ3 LYS A 27 1.027 -7.978 2.588 1.00 1.29 H new ATOM 259 N ALA A 28 -3.844 -6.412 -2.888 1.00 0.87 N ATOM 260 CA ALA A 28 -4.439 -7.273 -3.904 1.00 0.98 C ATOM 261 C ALA A 28 -4.815 -6.445 -5.127 1.00 0.96 C ATOM 262 O ALA A 28 -4.636 -6.877 -6.265 1.00 1.08 O ATOM 263 CB ALA A 28 -5.659 -7.991 -3.347 1.00 1.04 C ATOM 0 H ALA A 28 -4.376 -6.351 -2.020 1.00 0.87 H new ATOM 0 HA ALA A 28 -3.709 -8.026 -4.200 1.00 0.98 H new ATOM 0 HB1 ALA A 28 -6.090 -8.629 -4.119 1.00 1.04 H new ATOM 0 HB2 ALA A 28 -5.364 -8.602 -2.494 1.00 1.04 H new ATOM 0 HB3 ALA A 28 -6.399 -7.257 -3.028 1.00 1.04 H new ATOM 265 N LYS A 29 -5.315 -5.238 -4.879 1.00 0.84 N ATOM 266 CA LYS A 29 -5.702 -4.335 -5.954 1.00 0.87 C ATOM 267 C LYS A 29 -4.466 -3.875 -6.722 1.00 0.95 C ATOM 268 O LYS A 29 -4.520 -3.647 -7.931 1.00 1.08 O ATOM 269 CB LYS A 29 -6.464 -3.129 -5.400 1.00 0.79 C ATOM 270 CG LYS A 29 -7.598 -3.500 -4.461 1.00 0.78 C ATOM 271 CD LYS A 29 -8.398 -2.284 -4.034 1.00 0.78 C ATOM 272 CE LYS A 29 -9.190 -2.574 -2.772 1.00 0.94 C ATOM 273 NZ LYS A 29 -10.375 -1.686 -2.640 1.00 1.01 N ATOM 0 H LYS A 29 -5.461 -4.864 -3.941 1.00 0.84 H new ATOM 0 HA LYS A 29 -6.362 -4.871 -6.636 1.00 0.87 H new ATOM 0 HB2 LYS A 29 -5.765 -2.480 -4.872 1.00 0.79 H new ATOM 0 HB3 LYS A 29 -6.868 -2.552 -6.232 1.00 0.79 H new ATOM 0 HG2 LYS A 29 -8.258 -4.215 -4.953 1.00 0.78 H new ATOM 0 HG3 LYS A 29 -7.192 -3.996 -3.579 1.00 0.78 H new ATOM 0 HD2 LYS A 29 -7.726 -1.443 -3.861 1.00 0.78 H new ATOM 0 HD3 LYS A 29 -9.077 -1.990 -4.835 1.00 0.78 H new ATOM 0 HE2 LYS A 29 -9.516 -3.614 -2.780 1.00 0.94 H new ATOM 0 HE3 LYS A 29 -8.545 -2.449 -1.903 1.00 0.94 H new ATOM 0 HZ1 LYS A 29 -10.396 -1.275 -1.685 1.00 1.01 H new ATOM 0 HZ2 LYS A 29 -10.317 -0.923 -3.344 1.00 1.01 H new ATOM 0 HZ3 LYS A 29 -11.242 -2.238 -2.798 1.00 1.01 H new ATOM 278 N ILE A 30 -3.348 -3.753 -6.012 1.00 0.92 N ATOM 279 CA ILE A 30 -2.094 -3.341 -6.627 1.00 1.03 C ATOM 280 C ILE A 30 -1.585 -4.445 -7.550 1.00 1.17 C ATOM 281 O ILE A 30 -1.027 -4.174 -8.611 1.00 1.31 O ATOM 282 CB ILE A 30 -1.012 -3.008 -5.573 1.00 0.99 C ATOM 283 CG1 ILE A 30 -1.517 -1.923 -4.616 1.00 0.89 C ATOM 284 CG2 ILE A 30 0.278 -2.563 -6.247 1.00 1.14 C ATOM 285 CD1 ILE A 30 -0.573 -1.624 -3.469 1.00 0.87 C ATOM 0 H ILE A 30 -3.287 -3.934 -5.010 1.00 0.92 H new ATOM 0 HA ILE A 30 -2.291 -2.434 -7.199 1.00 1.03 H new ATOM 0 HB ILE A 30 -0.803 -3.911 -4.999 1.00 0.99 H new ATOM 0 HG12 ILE A 30 -1.688 -1.006 -5.180 1.00 0.89 H new ATOM 0 HG13 ILE A 30 -2.480 -2.231 -4.209 1.00 0.89 H new ATOM 0 HG21 ILE A 30 1.025 -2.334 -5.487 1.00 1.14 H new ATOM 0 HG22 ILE A 30 0.647 -3.362 -6.890 1.00 1.14 H new ATOM 0 HG23 ILE A 30 0.087 -1.674 -6.848 1.00 1.14 H new ATOM 0 HD11 ILE A 30 -1.002 -0.846 -2.838 1.00 0.87 H new ATOM 0 HD12 ILE A 30 -0.420 -2.527 -2.878 1.00 0.87 H new ATOM 0 HD13 ILE A 30 0.384 -1.283 -3.865 1.00 0.87 H new ATOM 287 N GLN A 31 -1.809 -5.692 -7.151 1.00 1.16 N ATOM 288 CA GLN A 31 -1.383 -6.837 -7.948 1.00 1.32 C ATOM 289 C GLN A 31 -2.153 -6.877 -9.261 1.00 1.41 C ATOM 290 O GLN A 31 -1.628 -7.292 -10.290 1.00 1.55 O ATOM 291 CB GLN A 31 -1.580 -8.147 -7.180 1.00 1.34 C ATOM 292 CG GLN A 31 -1.158 -9.381 -7.963 1.00 1.54 C ATOM 293 CD GLN A 31 -1.317 -10.667 -7.179 1.00 1.66 C ATOM 294 OE1 GLN A 31 -2.186 -10.781 -6.316 1.00 1.64 O ATOM 295 NE2 GLN A 31 -0.480 -11.648 -7.476 1.00 1.93 N ATOM 0 H GLN A 31 -2.283 -5.936 -6.281 1.00 1.16 H new ATOM 0 HA GLN A 31 -0.320 -6.726 -8.161 1.00 1.32 H new ATOM 0 HB2 GLN A 31 -1.010 -8.103 -6.252 1.00 1.34 H new ATOM 0 HB3 GLN A 31 -2.630 -8.243 -6.905 1.00 1.34 H new ATOM 0 HG2 GLN A 31 -1.750 -9.444 -8.876 1.00 1.54 H new ATOM 0 HG3 GLN A 31 -0.116 -9.273 -8.265 1.00 1.54 H new ATOM 0 HE21 GLN A 31 0.227 -11.514 -8.199 1.00 1.93 H new ATOM 0 HE22 GLN A 31 -0.542 -12.538 -6.982 1.00 1.93 H new ATOM 299 N ASP A 32 -3.394 -6.411 -9.218 1.00 1.34 N ATOM 300 CA ASP A 32 -4.253 -6.385 -10.399 1.00 1.44 C ATOM 301 C ASP A 32 -3.833 -5.263 -11.353 1.00 1.52 C ATOM 302 O ASP A 32 -4.400 -5.099 -12.432 1.00 1.67 O ATOM 303 CB ASP A 32 -5.720 -6.220 -9.976 1.00 1.38 C ATOM 304 CG ASP A 32 -6.707 -6.359 -11.123 1.00 1.60 C ATOM 305 OD1 ASP A 32 -6.471 -7.184 -12.030 1.00 2.02 O ATOM 306 OD2 ASP A 32 -7.736 -5.651 -11.114 1.00 2.05 O ATOM 0 H ASP A 32 -3.832 -6.043 -8.374 1.00 1.34 H new ATOM 0 HA ASP A 32 -4.146 -7.331 -10.930 1.00 1.44 H new ATOM 0 HB2 ASP A 32 -5.955 -6.964 -9.214 1.00 1.38 H new ATOM 0 HB3 ASP A 32 -5.848 -5.240 -9.515 1.00 1.38 H new ATOM 308 N LYS A 33 -2.831 -4.490 -10.948 1.00 1.47 N ATOM 309 CA LYS A 33 -2.339 -3.388 -11.767 1.00 1.58 C ATOM 310 C LYS A 33 -0.852 -3.533 -12.089 1.00 1.70 C ATOM 311 O LYS A 33 -0.434 -3.342 -13.231 1.00 1.86 O ATOM 312 CB LYS A 33 -2.610 -2.041 -11.088 1.00 1.53 C ATOM 313 CG LYS A 33 -4.082 -1.670 -11.012 1.00 1.53 C ATOM 314 CD LYS A 33 -4.281 -0.285 -10.417 1.00 1.65 C ATOM 315 CE LYS A 33 -5.723 0.173 -10.571 1.00 1.77 C ATOM 316 NZ LYS A 33 -5.926 1.565 -10.089 1.00 2.17 N ATOM 0 H LYS A 33 -2.344 -4.606 -10.059 1.00 1.47 H new ATOM 0 HA LYS A 33 -2.884 -3.422 -12.710 1.00 1.58 H new ATOM 0 HB2 LYS A 33 -2.200 -2.066 -10.078 1.00 1.53 H new ATOM 0 HB3 LYS A 33 -2.077 -1.259 -11.629 1.00 1.53 H new ATOM 0 HG2 LYS A 33 -4.518 -1.704 -12.010 1.00 1.53 H new ATOM 0 HG3 LYS A 33 -4.612 -2.406 -10.408 1.00 1.53 H new ATOM 0 HD2 LYS A 33 -4.010 -0.297 -9.361 1.00 1.65 H new ATOM 0 HD3 LYS A 33 -3.616 0.425 -10.909 1.00 1.65 H new ATOM 0 HE2 LYS A 33 -6.013 0.108 -11.620 1.00 1.77 H new ATOM 0 HE3 LYS A 33 -6.377 -0.500 -10.017 1.00 1.77 H new ATOM 0 HZ1 LYS A 33 -6.740 1.593 -9.442 1.00 2.17 H new ATOM 0 HZ2 LYS A 33 -5.074 1.886 -9.587 1.00 2.17 H new ATOM 0 HZ3 LYS A 33 -6.107 2.190 -10.900 1.00 2.17 H new ATOM 321 N GLU A 34 -0.056 -3.872 -11.084 1.00 1.64 N ATOM 322 CA GLU A 34 1.384 -4.023 -11.259 1.00 1.77 C ATOM 323 C GLU A 34 1.780 -5.462 -11.582 1.00 1.84 C ATOM 324 O GLU A 34 2.852 -5.705 -12.130 1.00 2.04 O ATOM 325 CB GLU A 34 2.121 -3.555 -10.004 1.00 1.71 C ATOM 326 CG GLU A 34 2.067 -2.057 -9.770 1.00 1.71 C ATOM 327 CD GLU A 34 2.784 -1.280 -10.852 1.00 1.91 C ATOM 328 OE1 GLU A 34 4.026 -1.188 -10.804 1.00 2.14 O ATOM 329 OE2 GLU A 34 2.109 -0.752 -11.759 1.00 1.96 O ATOM 0 H GLU A 34 -0.384 -4.049 -10.135 1.00 1.64 H new ATOM 0 HA GLU A 34 1.670 -3.403 -12.108 1.00 1.77 H new ATOM 0 HB2 GLU A 34 1.696 -4.062 -9.137 1.00 1.71 H new ATOM 0 HB3 GLU A 34 3.164 -3.863 -10.074 1.00 1.71 H new ATOM 0 HG2 GLU A 34 1.026 -1.736 -9.724 1.00 1.71 H new ATOM 0 HG3 GLU A 34 2.514 -1.826 -8.803 1.00 1.71 H new ATOM 331 N GLY A 35 0.920 -6.413 -11.230 1.00 1.74 N ATOM 332 CA GLY A 35 1.220 -7.814 -11.486 1.00 1.84 C ATOM 333 C GLY A 35 2.232 -8.371 -10.501 1.00 1.84 C ATOM 334 O GLY A 35 2.867 -9.394 -10.756 1.00 2.01 O ATOM 0 H GLY A 35 0.024 -6.242 -10.774 1.00 1.74 H new ATOM 0 HA2 GLY A 35 0.301 -8.397 -11.429 1.00 1.84 H new ATOM 0 HA3 GLY A 35 1.604 -7.922 -12.500 1.00 1.84 H new ATOM 336 N ILE A 36 2.381 -7.692 -9.371 1.00 1.74 N ATOM 337 CA ILE A 36 3.323 -8.107 -8.339 1.00 1.74 C ATOM 338 C ILE A 36 2.580 -8.748 -7.169 1.00 1.63 C ATOM 339 O ILE A 36 1.653 -8.151 -6.619 1.00 1.48 O ATOM 340 CB ILE A 36 4.135 -6.903 -7.816 1.00 1.69 C ATOM 341 CG1 ILE A 36 4.783 -6.154 -8.983 1.00 1.83 C ATOM 342 CG2 ILE A 36 5.194 -7.361 -6.821 1.00 1.74 C ATOM 343 CD1 ILE A 36 5.305 -4.782 -8.620 1.00 1.81 C ATOM 0 H ILE A 36 1.858 -6.846 -9.145 1.00 1.74 H new ATOM 0 HA ILE A 36 4.005 -8.831 -8.785 1.00 1.74 H new ATOM 0 HB ILE A 36 3.455 -6.224 -7.301 1.00 1.69 H new ATOM 0 HG12 ILE A 36 5.606 -6.753 -9.373 1.00 1.83 H new ATOM 0 HG13 ILE A 36 4.053 -6.053 -9.786 1.00 1.83 H new ATOM 0 HG21 ILE A 36 5.756 -6.498 -6.464 1.00 1.74 H new ATOM 0 HG22 ILE A 36 4.711 -7.854 -5.977 1.00 1.74 H new ATOM 0 HG23 ILE A 36 5.874 -8.059 -7.309 1.00 1.74 H new ATOM 0 HD11 ILE A 36 5.749 -4.317 -9.500 1.00 1.81 H new ATOM 0 HD12 ILE A 36 4.483 -4.164 -8.258 1.00 1.81 H new ATOM 0 HD13 ILE A 36 6.060 -4.875 -7.839 1.00 1.81 H new ATOM 345 N PRO A 37 2.965 -9.979 -6.788 1.00 1.74 N ATOM 346 CA PRO A 37 2.335 -10.702 -5.674 1.00 1.71 C ATOM 347 C PRO A 37 2.414 -9.918 -4.363 1.00 1.54 C ATOM 348 O PRO A 37 3.432 -9.289 -4.064 1.00 1.52 O ATOM 349 CB PRO A 37 3.162 -11.989 -5.568 1.00 1.90 C ATOM 350 CG PRO A 37 3.780 -12.156 -6.912 1.00 2.04 C ATOM 351 CD PRO A 37 4.037 -10.767 -7.422 1.00 1.94 C ATOM 0 HA PRO A 37 1.273 -10.874 -5.849 1.00 1.71 H new ATOM 0 HB2 PRO A 37 3.922 -11.908 -4.791 1.00 1.90 H new ATOM 0 HB3 PRO A 37 2.534 -12.843 -5.312 1.00 1.90 H new ATOM 0 HG2 PRO A 37 4.707 -12.726 -6.848 1.00 2.04 H new ATOM 0 HG3 PRO A 37 3.116 -12.702 -7.582 1.00 2.04 H new ATOM 0 HD2 PRO A 37 5.026 -10.408 -7.135 1.00 1.94 H new ATOM 0 HD3 PRO A 37 3.984 -10.720 -8.510 1.00 1.94 H new ATOM 352 N PRO A 38 1.337 -9.958 -3.555 1.00 1.46 N ATOM 353 CA PRO A 38 1.270 -9.247 -2.269 1.00 1.33 C ATOM 354 C PRO A 38 2.357 -9.703 -1.299 1.00 1.42 C ATOM 355 O PRO A 38 2.679 -9.003 -0.338 1.00 1.35 O ATOM 356 CB PRO A 38 -0.114 -9.617 -1.722 1.00 1.34 C ATOM 357 CG PRO A 38 -0.895 -10.035 -2.919 1.00 1.43 C ATOM 358 CD PRO A 38 0.093 -10.699 -3.833 1.00 1.52 C ATOM 0 HA PRO A 38 1.422 -8.175 -2.393 1.00 1.33 H new ATOM 0 HB2 PRO A 38 -0.048 -10.423 -0.991 1.00 1.34 H new ATOM 0 HB3 PRO A 38 -0.581 -8.769 -1.221 1.00 1.34 H new ATOM 0 HG2 PRO A 38 -1.697 -10.720 -2.644 1.00 1.43 H new ATOM 0 HG3 PRO A 38 -1.361 -9.176 -3.403 1.00 1.43 H new ATOM 0 HD2 PRO A 38 0.197 -11.762 -3.614 1.00 1.52 H new ATOM 0 HD3 PRO A 38 -0.203 -10.616 -4.879 1.00 1.52 H new ATOM 359 N ASP A 39 2.920 -10.875 -1.570 1.00 1.60 N ATOM 360 CA ASP A 39 3.982 -11.446 -0.747 1.00 1.73 C ATOM 361 C ASP A 39 5.229 -10.565 -0.781 1.00 1.71 C ATOM 362 O ASP A 39 5.974 -10.483 0.198 1.00 1.76 O ATOM 363 CB ASP A 39 4.341 -12.853 -1.244 1.00 1.94 C ATOM 364 CG ASP A 39 3.130 -13.745 -1.455 1.00 2.40 C ATOM 365 OD1 ASP A 39 2.351 -13.486 -2.398 1.00 2.95 O ATOM 366 OD2 ASP A 39 2.951 -14.712 -0.685 1.00 2.86 O ATOM 0 H ASP A 39 2.654 -11.456 -2.365 1.00 1.60 H new ATOM 0 HA ASP A 39 3.618 -11.504 0.279 1.00 1.73 H new ATOM 0 HB2 ASP A 39 4.890 -12.770 -2.182 1.00 1.94 H new ATOM 0 HB3 ASP A 39 5.010 -13.325 -0.524 1.00 1.94 H new ATOM 368 N GLN A 40 5.444 -9.899 -1.913 1.00 1.67 N ATOM 369 CA GLN A 40 6.599 -9.022 -2.083 1.00 1.70 C ATOM 370 C GLN A 40 6.193 -7.562 -1.946 1.00 1.54 C ATOM 371 O GLN A 40 7.029 -6.661 -2.040 1.00 1.58 O ATOM 372 CB GLN A 40 7.237 -9.235 -3.458 1.00 1.85 C ATOM 373 CG GLN A 40 7.983 -10.549 -3.616 1.00 2.05 C ATOM 374 CD GLN A 40 8.640 -10.686 -4.976 1.00 2.25 C ATOM 375 OE1 GLN A 40 8.133 -10.180 -5.979 1.00 2.36 O ATOM 376 NE2 GLN A 40 9.781 -11.359 -5.016 1.00 2.56 N ATOM 0 H GLN A 40 4.832 -9.950 -2.727 1.00 1.67 H new ATOM 0 HA GLN A 40 7.321 -9.269 -1.304 1.00 1.70 H new ATOM 0 HB2 GLN A 40 6.457 -9.182 -4.217 1.00 1.85 H new ATOM 0 HB3 GLN A 40 7.928 -8.415 -3.654 1.00 1.85 H new ATOM 0 HG2 GLN A 40 8.744 -10.626 -2.839 1.00 2.05 H new ATOM 0 HG3 GLN A 40 7.290 -11.377 -3.466 1.00 2.05 H new ATOM 0 HE21 GLN A 40 10.166 -11.762 -4.162 1.00 2.56 H new ATOM 0 HE22 GLN A 40 10.274 -11.474 -5.901 1.00 2.56 H new ATOM 380 N GLN A 41 4.910 -7.334 -1.717 1.00 1.40 N ATOM 381 CA GLN A 41 4.386 -5.985 -1.588 1.00 1.26 C ATOM 382 C GLN A 41 4.486 -5.474 -0.159 1.00 1.21 C ATOM 383 O GLN A 41 3.922 -6.063 0.767 1.00 1.25 O ATOM 384 CB GLN A 41 2.928 -5.928 -2.033 1.00 1.14 C ATOM 385 CG GLN A 41 2.702 -6.036 -3.528 1.00 1.19 C ATOM 386 CD GLN A 41 1.304 -5.601 -3.901 1.00 1.07 C ATOM 387 OE1 GLN A 41 0.742 -4.702 -3.283 1.00 0.98 O ATOM 388 NE2 GLN A 41 0.723 -6.240 -4.898 1.00 1.13 N ATOM 0 H GLN A 41 4.210 -8.069 -1.616 1.00 1.40 H new ATOM 0 HA GLN A 41 4.994 -5.348 -2.230 1.00 1.26 H new ATOM 0 HB2 GLN A 41 2.383 -6.734 -1.541 1.00 1.14 H new ATOM 0 HB3 GLN A 41 2.495 -4.991 -1.684 1.00 1.14 H new ATOM 0 HG2 GLN A 41 3.430 -5.419 -4.054 1.00 1.19 H new ATOM 0 HG3 GLN A 41 2.864 -7.065 -3.850 1.00 1.19 H new ATOM 0 HE21 GLN A 41 1.222 -6.982 -5.388 1.00 1.13 H new ATOM 0 HE22 GLN A 41 -0.226 -5.992 -5.179 1.00 1.13 H new ATOM 392 N ARG A 42 5.204 -4.378 0.008 1.00 1.20 N ATOM 393 CA ARG A 42 5.362 -3.753 1.307 1.00 1.19 C ATOM 394 C ARG A 42 4.963 -2.292 1.205 1.00 1.08 C ATOM 395 O ARG A 42 5.494 -1.557 0.372 1.00 1.15 O ATOM 396 CB ARG A 42 6.801 -3.877 1.802 1.00 1.35 C ATOM 397 CG ARG A 42 7.042 -5.078 2.694 1.00 1.66 C ATOM 398 CD ARG A 42 8.392 -4.987 3.381 1.00 1.79 C ATOM 399 NE ARG A 42 8.611 -6.104 4.296 1.00 2.02 N ATOM 400 CZ ARG A 42 9.811 -6.575 4.624 1.00 2.20 C ATOM 401 NH1 ARG A 42 10.911 -6.019 4.121 1.00 2.34 N ATOM 402 NH2 ARG A 42 9.913 -7.601 5.462 1.00 2.65 N ATOM 0 H ARG A 42 5.691 -3.899 -0.749 1.00 1.20 H new ATOM 0 HA ARG A 42 4.719 -4.260 2.026 1.00 1.19 H new ATOM 0 HB2 ARG A 42 7.467 -3.937 0.941 1.00 1.35 H new ATOM 0 HB3 ARG A 42 7.066 -2.972 2.348 1.00 1.35 H new ATOM 0 HG2 ARG A 42 6.253 -5.142 3.443 1.00 1.66 H new ATOM 0 HG3 ARG A 42 6.993 -5.991 2.101 1.00 1.66 H new ATOM 0 HD2 ARG A 42 9.182 -4.972 2.630 1.00 1.79 H new ATOM 0 HD3 ARG A 42 8.457 -4.048 3.931 1.00 1.79 H new ATOM 0 HE ARG A 42 7.793 -6.551 4.709 1.00 2.02 H new ATOM 0 HH11 ARG A 42 10.836 -5.228 3.481 1.00 2.34 H new ATOM 0 HH12 ARG A 42 11.829 -6.384 4.376 1.00 2.34 H new ATOM 0 HH21 ARG A 42 9.072 -8.026 5.853 1.00 2.65 H new ATOM 0 HH22 ARG A 42 10.832 -7.964 5.715 1.00 2.65 H new ATOM 409 N LEU A 43 4.020 -1.881 2.037 1.00 0.99 N ATOM 410 CA LEU A 43 3.539 -0.512 2.027 1.00 0.92 C ATOM 411 C LEU A 43 4.006 0.239 3.263 1.00 0.98 C ATOM 412 O LEU A 43 3.847 -0.235 4.389 1.00 1.02 O ATOM 413 CB LEU A 43 2.011 -0.481 1.943 1.00 0.85 C ATOM 414 CG LEU A 43 1.388 -0.899 0.607 1.00 0.80 C ATOM 415 CD1 LEU A 43 -0.124 -1.004 0.736 1.00 0.77 C ATOM 416 CD2 LEU A 43 1.761 0.087 -0.490 1.00 0.85 C ATOM 0 H LEU A 43 3.572 -2.480 2.730 1.00 0.99 H new ATOM 0 HA LEU A 43 3.952 -0.019 1.147 1.00 0.92 H new ATOM 0 HB2 LEU A 43 1.614 -1.131 2.722 1.00 0.85 H new ATOM 0 HB3 LEU A 43 1.678 0.531 2.172 1.00 0.85 H new ATOM 0 HG LEU A 43 1.782 -1.879 0.336 1.00 0.80 H new ATOM 0 HD11 LEU A 43 -0.551 -1.302 -0.222 1.00 0.77 H new ATOM 0 HD12 LEU A 43 -0.374 -1.748 1.492 1.00 0.77 H new ATOM 0 HD13 LEU A 43 -0.532 -0.037 1.030 1.00 0.77 H new ATOM 0 HD21 LEU A 43 1.309 -0.227 -1.431 1.00 0.85 H new ATOM 0 HD22 LEU A 43 1.397 1.080 -0.226 1.00 0.85 H new ATOM 0 HD23 LEU A 43 2.845 0.116 -0.600 1.00 0.85 H new ATOM 418 N ILE A 44 4.591 1.403 3.048 1.00 1.05 N ATOM 419 CA ILE A 44 5.066 2.225 4.144 1.00 1.15 C ATOM 420 C ILE A 44 4.379 3.586 4.123 1.00 1.19 C ATOM 421 O ILE A 44 4.060 4.117 3.056 1.00 1.24 O ATOM 422 CB ILE A 44 6.611 2.381 4.128 1.00 1.30 C ATOM 423 CG1 ILE A 44 7.220 1.915 5.451 1.00 1.78 C ATOM 424 CG2 ILE A 44 7.054 3.804 3.807 1.00 1.69 C ATOM 425 CD1 ILE A 44 7.203 0.414 5.642 1.00 2.14 C ATOM 0 H ILE A 44 4.749 1.801 2.122 1.00 1.05 H new ATOM 0 HA ILE A 44 4.808 1.717 5.073 1.00 1.15 H new ATOM 0 HB ILE A 44 6.981 1.743 3.325 1.00 1.30 H new ATOM 0 HG12 ILE A 44 8.250 2.267 5.509 1.00 1.78 H new ATOM 0 HG13 ILE A 44 6.677 2.382 6.273 1.00 1.78 H new ATOM 0 HG21 ILE A 44 8.143 3.855 3.809 1.00 1.69 H new ATOM 0 HG22 ILE A 44 6.679 4.089 2.824 1.00 1.69 H new ATOM 0 HG23 ILE A 44 6.657 4.487 4.558 1.00 1.69 H new ATOM 0 HD11 ILE A 44 7.652 0.164 6.603 1.00 2.14 H new ATOM 0 HD12 ILE A 44 6.174 0.056 5.618 1.00 2.14 H new ATOM 0 HD13 ILE A 44 7.771 -0.061 4.842 1.00 2.14 H new ATOM 427 N PHE A 45 4.121 4.120 5.304 1.00 1.25 N ATOM 428 CA PHE A 45 3.492 5.421 5.437 1.00 1.34 C ATOM 429 C PHE A 45 4.313 6.269 6.396 1.00 1.52 C ATOM 430 O PHE A 45 4.252 6.073 7.610 1.00 1.59 O ATOM 431 CB PHE A 45 2.057 5.277 5.949 1.00 1.32 C ATOM 432 CG PHE A 45 1.229 6.520 5.805 1.00 1.42 C ATOM 433 CD1 PHE A 45 0.623 6.827 4.597 1.00 1.43 C ATOM 434 CD2 PHE A 45 1.052 7.381 6.875 1.00 1.58 C ATOM 435 CE1 PHE A 45 -0.143 7.970 4.460 1.00 1.58 C ATOM 436 CE2 PHE A 45 0.290 8.526 6.746 1.00 1.71 C ATOM 437 CZ PHE A 45 -0.309 8.821 5.535 1.00 1.70 C ATOM 0 H PHE A 45 4.340 3.667 6.191 1.00 1.25 H new ATOM 0 HA PHE A 45 3.452 5.905 4.461 1.00 1.34 H new ATOM 0 HB2 PHE A 45 1.570 4.464 5.410 1.00 1.32 H new ATOM 0 HB3 PHE A 45 2.084 4.991 7.000 1.00 1.32 H new ATOM 0 HD1 PHE A 45 0.751 6.166 3.753 1.00 1.43 H new ATOM 0 HD2 PHE A 45 1.516 7.154 7.823 1.00 1.58 H new ATOM 0 HE1 PHE A 45 -0.611 8.197 3.513 1.00 1.58 H new ATOM 0 HE2 PHE A 45 0.162 9.189 7.589 1.00 1.71 H new ATOM 0 HZ PHE A 45 -0.906 9.715 5.430 1.00 1.70 H new ATOM 439 N ALA A 46 5.104 7.181 5.837 1.00 1.68 N ATOM 440 CA ALA A 46 5.962 8.063 6.626 1.00 1.91 C ATOM 441 C ALA A 46 6.952 7.256 7.461 1.00 1.86 C ATOM 442 O ALA A 46 7.298 7.635 8.580 1.00 1.98 O ATOM 443 CB ALA A 46 5.137 8.998 7.500 1.00 2.10 C ATOM 0 H ALA A 46 5.169 7.330 4.830 1.00 1.68 H new ATOM 0 HA ALA A 46 6.534 8.680 5.933 1.00 1.91 H new ATOM 0 HB1 ALA A 46 5.803 9.641 8.075 1.00 2.10 H new ATOM 0 HB2 ALA A 46 4.494 9.612 6.870 1.00 2.10 H new ATOM 0 HB3 ALA A 46 4.522 8.411 8.182 1.00 2.10 H new ATOM 445 N GLY A 47 7.397 6.133 6.909 1.00 1.76 N ATOM 446 CA GLY A 47 8.342 5.281 7.605 1.00 1.78 C ATOM 447 C GLY A 47 7.677 4.214 8.456 1.00 1.69 C ATOM 448 O GLY A 47 8.346 3.308 8.955 1.00 1.84 O ATOM 0 H GLY A 47 7.118 5.796 5.987 1.00 1.76 H new ATOM 0 HA2 GLY A 47 8.993 4.800 6.875 1.00 1.78 H new ATOM 0 HA3 GLY A 47 8.977 5.898 8.240 1.00 1.78 H new ATOM 450 N LYS A 48 6.362 4.310 8.621 1.00 1.62 N ATOM 451 CA LYS A 48 5.622 3.344 9.425 1.00 1.59 C ATOM 452 C LYS A 48 5.162 2.155 8.588 1.00 1.42 C ATOM 453 O LYS A 48 4.644 2.324 7.481 1.00 1.35 O ATOM 454 CB LYS A 48 4.435 4.009 10.126 1.00 1.70 C ATOM 455 CG LYS A 48 4.841 4.915 11.275 1.00 2.00 C ATOM 456 CD LYS A 48 3.646 5.642 11.867 1.00 2.25 C ATOM 457 CE LYS A 48 4.016 6.312 13.179 1.00 2.57 C ATOM 458 NZ LYS A 48 2.964 7.257 13.634 1.00 3.05 N ATOM 0 H LYS A 48 5.787 5.046 8.210 1.00 1.62 H new ATOM 0 HA LYS A 48 6.301 2.966 10.190 1.00 1.59 H new ATOM 0 HB2 LYS A 48 3.872 4.591 9.396 1.00 1.70 H new ATOM 0 HB3 LYS A 48 3.766 3.236 10.502 1.00 1.70 H new ATOM 0 HG2 LYS A 48 5.328 4.323 12.050 1.00 2.00 H new ATOM 0 HG3 LYS A 48 5.572 5.643 10.923 1.00 2.00 H new ATOM 0 HD2 LYS A 48 3.284 6.390 11.161 1.00 2.25 H new ATOM 0 HD3 LYS A 48 2.831 4.937 12.031 1.00 2.25 H new ATOM 0 HE2 LYS A 48 4.176 5.551 13.943 1.00 2.57 H new ATOM 0 HE3 LYS A 48 4.958 6.847 13.060 1.00 2.57 H new ATOM 0 HZ1 LYS A 48 3.254 7.693 14.532 1.00 3.05 H new ATOM 0 HZ2 LYS A 48 2.829 7.998 12.917 1.00 3.05 H new ATOM 0 HZ3 LYS A 48 2.071 6.742 13.772 1.00 3.05 H new ATOM 463 N GLN A 49 5.366 0.960 9.131 1.00 1.39 N ATOM 464 CA GLN A 49 4.994 -0.282 8.463 1.00 1.28 C ATOM 465 C GLN A 49 3.489 -0.502 8.507 1.00 1.26 C ATOM 466 O GLN A 49 2.896 -0.597 9.587 1.00 1.41 O ATOM 467 CB GLN A 49 5.701 -1.461 9.140 1.00 1.35 C ATOM 468 CG GLN A 49 5.427 -2.816 8.507 1.00 1.41 C ATOM 469 CD GLN A 49 6.258 -3.050 7.264 1.00 1.70 C ATOM 470 OE1 GLN A 49 5.822 -2.784 6.145 1.00 1.94 O ATOM 471 NE2 GLN A 49 7.467 -3.550 7.457 1.00 2.30 N ATOM 0 H GLN A 49 5.794 0.825 10.047 1.00 1.39 H new ATOM 0 HA GLN A 49 5.300 -0.212 7.419 1.00 1.28 H new ATOM 0 HB2 GLN A 49 6.776 -1.279 9.125 1.00 1.35 H new ATOM 0 HB3 GLN A 49 5.398 -1.496 10.186 1.00 1.35 H new ATOM 0 HG2 GLN A 49 5.635 -3.602 9.233 1.00 1.41 H new ATOM 0 HG3 GLN A 49 4.370 -2.888 8.253 1.00 1.41 H new ATOM 0 HE21 GLN A 49 7.789 -3.756 8.403 1.00 2.30 H new ATOM 0 HE22 GLN A 49 8.078 -3.730 6.660 1.00 2.30 H new ATOM 475 N LEU A 50 2.874 -0.590 7.338 1.00 1.12 N ATOM 476 CA LEU A 50 1.440 -0.814 7.247 1.00 1.13 C ATOM 477 C LEU A 50 1.144 -2.307 7.296 1.00 1.17 C ATOM 478 O LEU A 50 1.475 -3.046 6.369 1.00 1.16 O ATOM 479 CB LEU A 50 0.874 -0.198 5.965 1.00 1.04 C ATOM 480 CG LEU A 50 1.183 1.285 5.734 1.00 1.03 C ATOM 481 CD1 LEU A 50 0.527 1.779 4.455 1.00 0.97 C ATOM 482 CD2 LEU A 50 0.740 2.122 6.922 1.00 1.17 C ATOM 0 H LEU A 50 3.347 -0.510 6.438 1.00 1.12 H new ATOM 0 HA LEU A 50 0.958 -0.329 8.096 1.00 1.13 H new ATOM 0 HB2 LEU A 50 1.256 -0.764 5.115 1.00 1.04 H new ATOM 0 HB3 LEU A 50 -0.209 -0.325 5.972 1.00 1.04 H new ATOM 0 HG LEU A 50 2.262 1.392 5.628 1.00 1.03 H new ATOM 0 HD11 LEU A 50 0.760 2.834 4.311 1.00 0.97 H new ATOM 0 HD12 LEU A 50 0.903 1.205 3.608 1.00 0.97 H new ATOM 0 HD13 LEU A 50 -0.553 1.652 4.528 1.00 0.97 H new ATOM 0 HD21 LEU A 50 0.970 3.171 6.734 1.00 1.17 H new ATOM 0 HD22 LEU A 50 -0.334 2.007 7.068 1.00 1.17 H new ATOM 0 HD23 LEU A 50 1.266 1.790 7.817 1.00 1.17 H new ATOM 484 N GLU A 51 0.543 -2.749 8.391 1.00 1.28 N ATOM 485 CA GLU A 51 0.215 -4.154 8.563 1.00 1.37 C ATOM 486 C GLU A 51 -0.980 -4.551 7.710 1.00 1.31 C ATOM 487 O GLU A 51 -1.986 -3.842 7.666 1.00 1.28 O ATOM 488 CB GLU A 51 -0.065 -4.463 10.033 1.00 1.55 C ATOM 489 CG GLU A 51 -0.247 -5.942 10.319 1.00 1.77 C ATOM 490 CD GLU A 51 -0.733 -6.207 11.723 1.00 2.13 C ATOM 491 OE1 GLU A 51 -1.959 -6.180 11.944 1.00 2.65 O ATOM 492 OE2 GLU A 51 0.113 -6.450 12.609 1.00 2.46 O ATOM 0 H GLU A 51 0.273 -2.153 9.174 1.00 1.28 H new ATOM 0 HA GLU A 51 1.076 -4.737 8.236 1.00 1.37 H new ATOM 0 HB2 GLU A 51 0.758 -4.083 10.639 1.00 1.55 H new ATOM 0 HB3 GLU A 51 -0.963 -3.928 10.343 1.00 1.55 H new ATOM 0 HG2 GLU A 51 -0.958 -6.361 9.607 1.00 1.77 H new ATOM 0 HG3 GLU A 51 0.701 -6.458 10.163 1.00 1.77 H new ATOM 494 N ASP A 52 -0.863 -5.701 7.055 1.00 1.35 N ATOM 495 CA ASP A 52 -1.917 -6.222 6.189 1.00 1.32 C ATOM 496 C ASP A 52 -3.211 -6.448 6.955 1.00 1.38 C ATOM 497 O ASP A 52 -4.305 -6.309 6.403 1.00 1.33 O ATOM 498 CB ASP A 52 -1.473 -7.535 5.537 1.00 1.43 C ATOM 499 CG ASP A 52 -0.519 -7.322 4.382 1.00 1.42 C ATOM 500 OD1 ASP A 52 -0.897 -6.646 3.414 1.00 1.79 O ATOM 501 OD2 ASP A 52 0.616 -7.838 4.437 1.00 1.83 O ATOM 0 H ASP A 52 -0.037 -6.298 7.108 1.00 1.35 H new ATOM 0 HA ASP A 52 -2.102 -5.475 5.417 1.00 1.32 H new ATOM 0 HB2 ASP A 52 -0.994 -8.164 6.287 1.00 1.43 H new ATOM 0 HB3 ASP A 52 -2.351 -8.075 5.182 1.00 1.43 H new ATOM 503 N GLY A 53 -3.078 -6.786 8.233 1.00 1.54 N ATOM 504 CA GLY A 53 -4.238 -7.037 9.066 1.00 1.65 C ATOM 505 C GLY A 53 -4.870 -5.772 9.616 1.00 1.64 C ATOM 506 O GLY A 53 -5.770 -5.836 10.451 1.00 1.82 O ATOM 0 H GLY A 53 -2.182 -6.891 8.708 1.00 1.54 H new ATOM 0 HA2 GLY A 53 -4.982 -7.583 8.486 1.00 1.65 H new ATOM 0 HA3 GLY A 53 -3.947 -7.680 9.897 1.00 1.65 H new ATOM 508 N ARG A 54 -4.399 -4.618 9.160 1.00 1.50 N ATOM 509 CA ARG A 54 -4.941 -3.344 9.608 1.00 1.50 C ATOM 510 C ARG A 54 -5.610 -2.620 8.450 1.00 1.38 C ATOM 511 O ARG A 54 -5.454 -3.011 7.291 1.00 1.27 O ATOM 512 CB ARG A 54 -3.844 -2.464 10.219 1.00 1.50 C ATOM 513 CG ARG A 54 -3.313 -2.952 11.559 1.00 1.65 C ATOM 514 CD ARG A 54 -4.445 -3.376 12.480 1.00 1.85 C ATOM 515 NE ARG A 54 -4.130 -3.147 13.890 1.00 2.13 N ATOM 516 CZ ARG A 54 -3.535 -4.043 14.686 1.00 2.35 C ATOM 517 NH1 ARG A 54 -3.079 -5.187 14.189 1.00 2.48 N ATOM 518 NH2 ARG A 54 -3.371 -3.775 15.970 1.00 2.69 N ATOM 0 H ARG A 54 -3.643 -4.539 8.480 1.00 1.50 H new ATOM 0 HA ARG A 54 -5.685 -3.544 10.379 1.00 1.50 H new ATOM 0 HB2 ARG A 54 -3.014 -2.400 9.516 1.00 1.50 H new ATOM 0 HB3 ARG A 54 -4.234 -1.454 10.344 1.00 1.50 H new ATOM 0 HG2 ARG A 54 -2.636 -3.792 11.400 1.00 1.65 H new ATOM 0 HG3 ARG A 54 -2.733 -2.160 12.033 1.00 1.65 H new ATOM 0 HD2 ARG A 54 -5.349 -2.826 12.218 1.00 1.85 H new ATOM 0 HD3 ARG A 54 -4.659 -4.433 12.325 1.00 1.85 H new ATOM 0 HE ARG A 54 -4.381 -2.244 14.293 1.00 2.13 H new ATOM 0 HH11 ARG A 54 -3.181 -5.388 13.194 1.00 2.48 H new ATOM 0 HH12 ARG A 54 -2.627 -5.865 14.802 1.00 2.48 H new ATOM 0 HH21 ARG A 54 -3.698 -2.887 16.351 1.00 2.69 H new ATOM 0 HH22 ARG A 54 -2.918 -4.456 16.579 1.00 2.69 H new ATOM 525 N THR A 55 -6.360 -1.574 8.758 1.00 1.44 N ATOM 526 CA THR A 55 -7.041 -0.807 7.728 1.00 1.36 C ATOM 527 C THR A 55 -6.409 0.573 7.580 1.00 1.32 C ATOM 528 O THR A 55 -5.496 0.931 8.325 1.00 1.36 O ATOM 529 CB THR A 55 -8.552 -0.671 8.010 1.00 1.51 C ATOM 530 OG1 THR A 55 -8.764 -0.122 9.315 1.00 1.71 O ATOM 531 CG2 THR A 55 -9.236 -2.025 7.920 1.00 1.61 C ATOM 0 H THR A 55 -6.512 -1.238 9.709 1.00 1.44 H new ATOM 0 HA THR A 55 -6.928 -1.355 6.793 1.00 1.36 H new ATOM 0 HB THR A 55 -8.978 -0.004 7.261 1.00 1.51 H new ATOM 0 HG1 THR A 55 -7.908 -0.066 9.789 1.00 1.71 H new ATOM 0 HG21 THR A 55 -10.301 -1.909 8.122 1.00 1.61 H new ATOM 0 HG22 THR A 55 -9.099 -2.436 6.920 1.00 1.61 H new ATOM 0 HG23 THR A 55 -8.799 -2.703 8.654 1.00 1.61 H new ATOM 534 N LEU A 56 -6.903 1.345 6.623 1.00 1.26 N ATOM 535 CA LEU A 56 -6.377 2.680 6.374 1.00 1.26 C ATOM 536 C LEU A 56 -6.639 3.621 7.549 1.00 1.44 C ATOM 537 O LEU A 56 -5.796 4.453 7.886 1.00 1.49 O ATOM 538 CB LEU A 56 -6.961 3.256 5.084 1.00 1.21 C ATOM 539 CG LEU A 56 -6.736 2.431 3.813 1.00 1.05 C ATOM 540 CD1 LEU A 56 -7.367 3.117 2.616 1.00 1.12 C ATOM 541 CD2 LEU A 56 -5.253 2.197 3.571 1.00 1.04 C ATOM 0 H LEU A 56 -7.667 1.070 6.006 1.00 1.26 H new ATOM 0 HA LEU A 56 -5.297 2.590 6.260 1.00 1.26 H new ATOM 0 HB2 LEU A 56 -8.034 3.387 5.222 1.00 1.21 H new ATOM 0 HB3 LEU A 56 -6.536 4.248 4.928 1.00 1.21 H new ATOM 0 HG LEU A 56 -7.214 1.461 3.950 1.00 1.05 H new ATOM 0 HD11 LEU A 56 -7.198 2.517 1.722 1.00 1.12 H new ATOM 0 HD12 LEU A 56 -8.439 3.226 2.782 1.00 1.12 H new ATOM 0 HD13 LEU A 56 -6.919 4.102 2.483 1.00 1.12 H new ATOM 0 HD21 LEU A 56 -5.121 1.609 2.663 1.00 1.04 H new ATOM 0 HD22 LEU A 56 -4.747 3.156 3.459 1.00 1.04 H new ATOM 0 HD23 LEU A 56 -4.827 1.658 4.417 1.00 1.04 H new ATOM 543 N SER A 57 -7.795 3.473 8.187 1.00 1.56 N ATOM 544 CA SER A 57 -8.156 4.320 9.317 1.00 1.75 C ATOM 545 C SER A 57 -7.248 4.079 10.524 1.00 1.81 C ATOM 546 O SER A 57 -7.059 4.969 11.354 1.00 1.94 O ATOM 547 CB SER A 57 -9.623 4.106 9.690 1.00 1.86 C ATOM 548 OG SER A 57 -10.049 2.809 9.309 1.00 1.94 O ATOM 0 H SER A 57 -8.497 2.775 7.941 1.00 1.56 H new ATOM 0 HA SER A 57 -8.016 5.357 9.013 1.00 1.75 H new ATOM 0 HB2 SER A 57 -9.754 4.237 10.764 1.00 1.86 H new ATOM 0 HB3 SER A 57 -10.242 4.857 9.199 1.00 1.86 H new ATOM 0 HG SER A 57 -10.990 2.688 9.556 1.00 1.94 H new ATOM 551 N ASP A 58 -6.665 2.885 10.602 1.00 1.72 N ATOM 552 CA ASP A 58 -5.781 2.532 11.710 1.00 1.79 C ATOM 553 C ASP A 58 -4.555 3.433 11.742 1.00 1.78 C ATOM 554 O ASP A 58 -4.056 3.783 12.811 1.00 1.90 O ATOM 555 CB ASP A 58 -5.333 1.070 11.617 1.00 1.73 C ATOM 556 CG ASP A 58 -6.369 0.090 12.125 1.00 1.83 C ATOM 557 OD1 ASP A 58 -6.447 -0.123 13.352 1.00 2.03 O ATOM 558 OD2 ASP A 58 -7.110 -0.478 11.294 1.00 1.79 O ATOM 0 H ASP A 58 -6.789 2.145 9.911 1.00 1.72 H new ATOM 0 HA ASP A 58 -6.349 2.671 12.630 1.00 1.79 H new ATOM 0 HB2 ASP A 58 -5.100 0.835 10.579 1.00 1.73 H new ATOM 0 HB3 ASP A 58 -4.413 0.943 12.187 1.00 1.73 H new ATOM 560 N TYR A 59 -4.086 3.818 10.564 1.00 1.65 N ATOM 561 CA TYR A 59 -2.908 4.669 10.447 1.00 1.66 C ATOM 562 C TYR A 59 -3.288 6.107 10.109 1.00 1.74 C ATOM 563 O TYR A 59 -2.442 6.900 9.694 1.00 1.76 O ATOM 564 CB TYR A 59 -1.948 4.109 9.395 1.00 1.50 C ATOM 565 CG TYR A 59 -1.434 2.723 9.717 1.00 1.43 C ATOM 566 CD1 TYR A 59 -0.296 2.549 10.492 1.00 1.49 C ATOM 567 CD2 TYR A 59 -2.088 1.591 9.246 1.00 1.36 C ATOM 568 CE1 TYR A 59 0.177 1.285 10.794 1.00 1.48 C ATOM 569 CE2 TYR A 59 -1.624 0.324 9.541 1.00 1.35 C ATOM 570 CZ TYR A 59 -0.490 0.177 10.313 1.00 1.42 C ATOM 571 OH TYR A 59 -0.025 -1.083 10.613 1.00 1.46 O ATOM 0 H TYR A 59 -4.504 3.554 9.672 1.00 1.65 H new ATOM 0 HA TYR A 59 -2.406 4.677 11.415 1.00 1.66 H new ATOM 0 HB2 TYR A 59 -2.455 4.084 8.430 1.00 1.50 H new ATOM 0 HB3 TYR A 59 -1.100 4.786 9.292 1.00 1.50 H new ATOM 0 HD1 TYR A 59 0.229 3.416 10.866 1.00 1.49 H new ATOM 0 HD2 TYR A 59 -2.974 1.704 8.639 1.00 1.36 H new ATOM 0 HE1 TYR A 59 1.062 1.166 11.402 1.00 1.48 H new ATOM 0 HE2 TYR A 59 -2.145 -0.546 9.170 1.00 1.35 H new ATOM 0 HH TYR A 59 0.955 -1.086 10.583 1.00 1.46 H new ATOM 574 N ASN A 60 -4.571 6.427 10.283 1.00 1.81 N ATOM 575 CA ASN A 60 -5.090 7.770 10.013 1.00 1.91 C ATOM 576 C ASN A 60 -4.867 8.180 8.556 1.00 1.82 C ATOM 577 O ASN A 60 -4.522 9.328 8.255 1.00 1.92 O ATOM 578 CB ASN A 60 -4.471 8.795 10.974 1.00 2.09 C ATOM 579 CG ASN A 60 -5.386 9.969 11.266 1.00 2.45 C ATOM 580 OD1 ASN A 60 -6.198 10.372 10.433 1.00 2.58 O ATOM 581 ND2 ASN A 60 -5.259 10.524 12.461 1.00 2.96 N ATOM 0 H ASN A 60 -5.276 5.768 10.613 1.00 1.81 H new ATOM 0 HA ASN A 60 -6.167 7.748 10.182 1.00 1.91 H new ATOM 0 HB2 ASN A 60 -4.218 8.298 11.911 1.00 2.09 H new ATOM 0 HB3 ASN A 60 -3.539 9.166 10.548 1.00 2.09 H new ATOM 0 HD21 ASN A 60 -5.847 11.316 12.720 1.00 2.96 H new ATOM 0 HD22 ASN A 60 -4.573 10.159 13.122 1.00 2.96 H new ATOM 585 N ILE A 61 -5.062 7.232 7.651 1.00 1.65 N ATOM 586 CA ILE A 61 -4.894 7.492 6.233 1.00 1.57 C ATOM 587 C ILE A 61 -6.163 8.120 5.667 1.00 1.63 C ATOM 588 O ILE A 61 -7.252 7.552 5.769 1.00 1.62 O ATOM 589 CB ILE A 61 -4.531 6.210 5.451 1.00 1.38 C ATOM 590 CG1 ILE A 61 -3.199 5.651 5.964 1.00 1.35 C ATOM 591 CG2 ILE A 61 -4.454 6.489 3.955 1.00 1.33 C ATOM 592 CD1 ILE A 61 -2.824 4.306 5.384 1.00 1.18 C ATOM 0 H ILE A 61 -5.337 6.276 7.876 1.00 1.65 H new ATOM 0 HA ILE A 61 -4.063 8.188 6.117 1.00 1.57 H new ATOM 0 HB ILE A 61 -5.314 5.469 5.612 1.00 1.38 H new ATOM 0 HG12 ILE A 61 -2.407 6.365 5.737 1.00 1.35 H new ATOM 0 HG13 ILE A 61 -3.249 5.564 7.049 1.00 1.35 H new ATOM 0 HG21 ILE A 61 -4.197 5.571 3.426 1.00 1.33 H new ATOM 0 HG22 ILE A 61 -5.419 6.853 3.603 1.00 1.33 H new ATOM 0 HG23 ILE A 61 -3.691 7.243 3.764 1.00 1.33 H new ATOM 0 HD11 ILE A 61 -1.869 3.984 5.800 1.00 1.18 H new ATOM 0 HD12 ILE A 61 -3.593 3.575 5.633 1.00 1.18 H new ATOM 0 HD13 ILE A 61 -2.739 4.388 4.300 1.00 1.18 H new ATOM 594 N GLN A 62 -6.016 9.307 5.099 1.00 1.74 N ATOM 595 CA GLN A 62 -7.142 10.030 4.530 1.00 1.83 C ATOM 596 C GLN A 62 -6.979 10.173 3.022 1.00 1.77 C ATOM 597 O GLN A 62 -6.139 9.504 2.415 1.00 1.66 O ATOM 598 CB GLN A 62 -7.258 11.407 5.187 1.00 2.04 C ATOM 599 CG GLN A 62 -7.479 11.356 6.691 1.00 2.16 C ATOM 600 CD GLN A 62 -6.683 12.411 7.431 1.00 2.40 C ATOM 601 OE1 GLN A 62 -7.127 13.548 7.579 1.00 2.66 O ATOM 602 NE2 GLN A 62 -5.514 12.035 7.917 1.00 2.53 N ATOM 0 H GLN A 62 -5.122 9.792 5.020 1.00 1.74 H new ATOM 0 HA GLN A 62 -8.055 9.467 4.722 1.00 1.83 H new ATOM 0 HB2 GLN A 62 -6.350 11.974 4.982 1.00 2.04 H new ATOM 0 HB3 GLN A 62 -8.083 11.950 4.727 1.00 2.04 H new ATOM 0 HG2 GLN A 62 -8.540 11.490 6.904 1.00 2.16 H new ATOM 0 HG3 GLN A 62 -7.202 10.369 7.062 1.00 2.16 H new ATOM 0 HE21 GLN A 62 -5.184 11.081 7.771 1.00 2.53 H new ATOM 0 HE22 GLN A 62 -4.941 12.699 8.439 1.00 2.53 H new ATOM 606 N LYS A 63 -7.776 11.042 2.422 1.00 1.88 N ATOM 607 CA LYS A 63 -7.716 11.265 0.986 1.00 1.88 C ATOM 608 C LYS A 63 -6.433 11.984 0.585 1.00 1.95 C ATOM 609 O LYS A 63 -5.882 12.770 1.361 1.00 2.06 O ATOM 610 CB LYS A 63 -8.945 12.039 0.501 1.00 2.00 C ATOM 611 CG LYS A 63 -9.240 13.313 1.278 1.00 2.21 C ATOM 612 CD LYS A 63 -10.512 13.976 0.775 1.00 2.50 C ATOM 613 CE LYS A 63 -10.941 15.118 1.680 1.00 2.78 C ATOM 614 NZ LYS A 63 -12.326 15.572 1.379 1.00 3.22 N ATOM 0 H LYS A 63 -8.474 11.606 2.908 1.00 1.88 H new ATOM 0 HA LYS A 63 -7.713 10.288 0.503 1.00 1.88 H new ATOM 0 HB2 LYS A 63 -8.806 12.294 -0.550 1.00 2.00 H new ATOM 0 HB3 LYS A 63 -9.815 11.385 0.558 1.00 2.00 H new ATOM 0 HG2 LYS A 63 -9.341 13.081 2.338 1.00 2.21 H new ATOM 0 HG3 LYS A 63 -8.403 14.004 1.181 1.00 2.21 H new ATOM 0 HD2 LYS A 63 -10.352 14.352 -0.236 1.00 2.50 H new ATOM 0 HD3 LYS A 63 -11.311 13.236 0.718 1.00 2.50 H new ATOM 0 HE2 LYS A 63 -10.881 14.799 2.721 1.00 2.78 H new ATOM 0 HE3 LYS A 63 -10.251 15.954 1.563 1.00 2.78 H new ATOM 0 HZ1 LYS A 63 -12.582 16.352 2.017 1.00 3.22 H new ATOM 0 HZ2 LYS A 63 -12.377 15.900 0.393 1.00 3.22 H new ATOM 0 HZ3 LYS A 63 -12.988 14.782 1.516 1.00 3.22 H new ATOM 619 N GLU A 64 -5.954 11.676 -0.622 1.00 1.91 N ATOM 620 CA GLU A 64 -4.739 12.275 -1.186 1.00 2.01 C ATOM 621 C GLU A 64 -3.459 11.798 -0.499 1.00 1.94 C ATOM 622 O GLU A 64 -2.363 12.218 -0.869 1.00 2.02 O ATOM 623 CB GLU A 64 -4.802 13.803 -1.218 1.00 2.23 C ATOM 624 CG GLU A 64 -5.982 14.373 -1.989 1.00 2.36 C ATOM 625 CD GLU A 64 -6.840 15.279 -1.132 1.00 2.66 C ATOM 626 OE1 GLU A 64 -6.277 16.064 -0.337 1.00 3.12 O ATOM 627 OE2 GLU A 64 -8.078 15.216 -1.247 1.00 2.97 O ATOM 0 H GLU A 64 -6.400 10.999 -1.241 1.00 1.91 H new ATOM 0 HA GLU A 64 -4.698 11.922 -2.216 1.00 2.01 H new ATOM 0 HB2 GLU A 64 -4.842 14.173 -0.194 1.00 2.23 H new ATOM 0 HB3 GLU A 64 -3.880 14.182 -1.659 1.00 2.23 H new ATOM 0 HG2 GLU A 64 -5.616 14.931 -2.851 1.00 2.36 H new ATOM 0 HG3 GLU A 64 -6.592 13.555 -2.374 1.00 2.36 H new ATOM 629 N SER A 65 -3.592 10.926 0.491 1.00 1.83 N ATOM 630 CA SER A 65 -2.430 10.407 1.200 1.00 1.77 C ATOM 631 C SER A 65 -1.566 9.570 0.263 1.00 1.69 C ATOM 632 O SER A 65 -2.080 8.831 -0.579 1.00 1.61 O ATOM 633 CB SER A 65 -2.860 9.576 2.410 1.00 1.67 C ATOM 634 OG SER A 65 -3.755 10.304 3.232 1.00 1.79 O ATOM 0 H SER A 65 -4.487 10.565 0.820 1.00 1.83 H new ATOM 0 HA SER A 65 -1.842 11.253 1.556 1.00 1.77 H new ATOM 0 HB2 SER A 65 -3.337 8.656 2.073 1.00 1.67 H new ATOM 0 HB3 SER A 65 -1.982 9.287 2.988 1.00 1.67 H new ATOM 0 HG SER A 65 -4.672 10.002 3.065 1.00 1.79 H new ATOM 637 N THR A 66 -0.258 9.697 0.399 1.00 1.73 N ATOM 638 CA THR A 66 0.660 8.954 -0.443 1.00 1.69 C ATOM 639 C THR A 66 1.290 7.789 0.310 1.00 1.54 C ATOM 640 O THR A 66 1.845 7.961 1.397 1.00 1.58 O ATOM 641 CB THR A 66 1.764 9.870 -0.999 1.00 1.86 C ATOM 642 OG1 THR A 66 1.176 11.121 -1.383 1.00 2.03 O ATOM 643 CG2 THR A 66 2.420 9.229 -2.214 1.00 1.88 C ATOM 0 H THR A 66 0.191 10.306 1.083 1.00 1.73 H new ATOM 0 HA THR A 66 0.079 8.554 -1.274 1.00 1.69 H new ATOM 0 HB THR A 66 2.522 10.027 -0.232 1.00 1.86 H new ATOM 0 HG1 THR A 66 1.871 11.714 -1.738 1.00 2.03 H new ATOM 0 HG21 THR A 66 3.199 9.888 -2.597 1.00 1.88 H new ATOM 0 HG22 THR A 66 2.861 8.274 -1.928 1.00 1.88 H new ATOM 0 HG23 THR A 66 1.670 9.065 -2.988 1.00 1.88 H new ATOM 646 N LEU A 67 1.182 6.607 -0.274 1.00 1.41 N ATOM 647 CA LEU A 67 1.741 5.398 0.304 1.00 1.28 C ATOM 648 C LEU A 67 2.953 4.977 -0.516 1.00 1.32 C ATOM 649 O LEU A 67 2.986 5.192 -1.728 1.00 1.40 O ATOM 650 CB LEU A 67 0.697 4.274 0.295 1.00 1.11 C ATOM 651 CG LEU A 67 -0.380 4.310 1.389 1.00 1.10 C ATOM 652 CD1 LEU A 67 -1.355 5.460 1.172 1.00 1.24 C ATOM 653 CD2 LEU A 67 -1.125 2.985 1.445 1.00 0.98 C ATOM 0 H LEU A 67 0.704 6.459 -1.163 1.00 1.41 H new ATOM 0 HA LEU A 67 2.036 5.591 1.335 1.00 1.28 H new ATOM 0 HB2 LEU A 67 0.196 4.285 -0.673 1.00 1.11 H new ATOM 0 HB3 LEU A 67 1.224 3.323 0.370 1.00 1.11 H new ATOM 0 HG LEU A 67 0.120 4.473 2.344 1.00 1.10 H new ATOM 0 HD11 LEU A 67 -2.104 5.456 1.964 1.00 1.24 H new ATOM 0 HD12 LEU A 67 -0.813 6.405 1.190 1.00 1.24 H new ATOM 0 HD13 LEU A 67 -1.847 5.343 0.207 1.00 1.24 H new ATOM 0 HD21 LEU A 67 -1.885 3.027 2.226 1.00 0.98 H new ATOM 0 HD22 LEU A 67 -1.603 2.795 0.484 1.00 0.98 H new ATOM 0 HD23 LEU A 67 -0.422 2.182 1.666 1.00 0.98 H new ATOM 655 N HIS A 68 3.949 4.403 0.132 1.00 1.30 N ATOM 656 CA HIS A 68 5.149 3.969 -0.566 1.00 1.38 C ATOM 657 C HIS A 68 5.172 2.456 -0.713 1.00 1.24 C ATOM 658 O HIS A 68 4.882 1.728 0.236 1.00 1.14 O ATOM 659 CB HIS A 68 6.404 4.461 0.150 1.00 1.52 C ATOM 660 CG HIS A 68 6.718 5.897 -0.123 1.00 1.92 C ATOM 661 ND1 HIS A 68 6.286 6.899 0.708 1.00 2.27 N ATOM 662 CD2 HIS A 68 7.421 6.441 -1.145 1.00 2.37 C ATOM 663 CE1 HIS A 68 6.731 8.022 0.181 1.00 2.69 C ATOM 664 NE2 HIS A 68 7.426 7.798 -0.942 1.00 2.76 N ATOM 0 H HIS A 68 3.953 4.226 1.137 1.00 1.30 H new ATOM 0 HA HIS A 68 5.135 4.407 -1.564 1.00 1.38 H new ATOM 0 HB2 HIS A 68 6.279 4.322 1.224 1.00 1.52 H new ATOM 0 HB3 HIS A 68 7.252 3.847 -0.155 1.00 1.52 H new ATOM 0 HD2 HIS A 68 7.887 5.910 -1.961 1.00 2.37 H new ATOM 0 HE1 HIS A 68 6.557 9.001 0.602 1.00 2.69 H new ATOM 0 HE2 HIS A 68 7.872 8.500 -1.532 1.00 2.76 H new ATOM 667 N LEU A 69 5.513 1.991 -1.905 1.00 1.30 N ATOM 668 CA LEU A 69 5.565 0.565 -2.183 1.00 1.24 C ATOM 669 C LEU A 69 6.965 0.131 -2.604 1.00 1.38 C ATOM 670 O LEU A 69 7.477 0.558 -3.644 1.00 1.54 O ATOM 671 CB LEU A 69 4.552 0.192 -3.271 1.00 1.23 C ATOM 672 CG LEU A 69 4.494 -1.287 -3.673 1.00 1.23 C ATOM 673 CD1 LEU A 69 3.875 -2.126 -2.565 1.00 1.10 C ATOM 674 CD2 LEU A 69 3.726 -1.461 -4.973 1.00 1.29 C ATOM 0 H LEU A 69 5.759 2.584 -2.698 1.00 1.30 H new ATOM 0 HA LEU A 69 5.309 0.040 -1.263 1.00 1.24 H new ATOM 0 HB2 LEU A 69 3.561 0.493 -2.932 1.00 1.23 H new ATOM 0 HB3 LEU A 69 4.776 0.779 -4.162 1.00 1.23 H new ATOM 0 HG LEU A 69 5.515 -1.635 -3.831 1.00 1.23 H new ATOM 0 HD11 LEU A 69 3.845 -3.171 -2.874 1.00 1.10 H new ATOM 0 HD12 LEU A 69 4.474 -2.032 -1.659 1.00 1.10 H new ATOM 0 HD13 LEU A 69 2.862 -1.777 -2.367 1.00 1.10 H new ATOM 0 HD21 LEU A 69 3.697 -2.517 -5.240 1.00 1.29 H new ATOM 0 HD22 LEU A 69 2.709 -1.090 -4.847 1.00 1.29 H new ATOM 0 HD23 LEU A 69 4.221 -0.900 -5.766 1.00 1.29 H new ATOM 676 N VAL A 70 7.579 -0.710 -1.790 1.00 1.37 N ATOM 677 CA VAL A 70 8.908 -1.227 -2.076 1.00 1.52 C ATOM 678 C VAL A 70 8.856 -2.744 -2.173 1.00 1.55 C ATOM 679 O VAL A 70 8.301 -3.411 -1.296 1.00 1.48 O ATOM 680 CB VAL A 70 9.946 -0.785 -1.015 1.00 1.56 C ATOM 681 CG1 VAL A 70 11.174 -1.687 -1.024 1.00 1.74 C ATOM 682 CG2 VAL A 70 10.355 0.660 -1.252 1.00 1.79 C ATOM 0 H VAL A 70 7.175 -1.052 -0.918 1.00 1.37 H new ATOM 0 HA VAL A 70 9.232 -0.811 -3.030 1.00 1.52 H new ATOM 0 HB VAL A 70 9.477 -0.870 -0.034 1.00 1.56 H new ATOM 0 HG11 VAL A 70 11.881 -1.347 -0.267 1.00 1.74 H new ATOM 0 HG12 VAL A 70 10.874 -2.712 -0.806 1.00 1.74 H new ATOM 0 HG13 VAL A 70 11.647 -1.648 -2.005 1.00 1.74 H new ATOM 0 HG21 VAL A 70 11.085 0.960 -0.500 1.00 1.79 H new ATOM 0 HG22 VAL A 70 10.796 0.755 -2.244 1.00 1.79 H new ATOM 0 HG23 VAL A 70 9.477 1.303 -1.182 1.00 1.79 H new ATOM 684 N LEU A 71 9.407 -3.279 -3.255 1.00 1.72 N ATOM 685 CA LEU A 71 9.419 -4.715 -3.476 1.00 1.82 C ATOM 686 C LEU A 71 10.384 -5.402 -2.525 1.00 1.84 C ATOM 687 O LEU A 71 11.553 -5.030 -2.434 1.00 1.95 O ATOM 688 CB LEU A 71 9.786 -5.037 -4.925 1.00 2.05 C ATOM 689 CG LEU A 71 8.896 -4.407 -5.997 1.00 2.11 C ATOM 690 CD1 LEU A 71 9.289 -4.898 -7.381 1.00 2.43 C ATOM 691 CD2 LEU A 71 7.431 -4.694 -5.714 1.00 2.09 C ATOM 0 H LEU A 71 9.852 -2.736 -3.994 1.00 1.72 H new ATOM 0 HA LEU A 71 8.415 -5.092 -3.280 1.00 1.82 H new ATOM 0 HB2 LEU A 71 10.813 -4.716 -5.099 1.00 2.05 H new ATOM 0 HB3 LEU A 71 9.764 -6.119 -5.053 1.00 2.05 H new ATOM 0 HG LEU A 71 9.041 -3.327 -5.970 1.00 2.11 H new ATOM 0 HD11 LEU A 71 8.643 -4.437 -8.128 1.00 2.43 H new ATOM 0 HD12 LEU A 71 10.326 -4.628 -7.582 1.00 2.43 H new ATOM 0 HD13 LEU A 71 9.181 -5.982 -7.427 1.00 2.43 H new ATOM 0 HD21 LEU A 71 6.815 -4.237 -6.488 1.00 2.09 H new ATOM 0 HD22 LEU A 71 7.266 -5.771 -5.708 1.00 2.09 H new ATOM 0 HD23 LEU A 71 7.160 -4.280 -4.743 1.00 2.09 H new ATOM 693 N ARG A 72 9.882 -6.392 -1.810 1.00 1.87 N ATOM 694 CA ARG A 72 10.692 -7.135 -0.863 1.00 1.94 C ATOM 695 C ARG A 72 11.471 -8.234 -1.574 1.00 2.07 C ATOM 696 O ARG A 72 10.971 -9.346 -1.755 1.00 2.13 O ATOM 697 CB ARG A 72 9.806 -7.731 0.234 1.00 1.94 C ATOM 698 CG ARG A 72 10.502 -7.905 1.572 1.00 2.10 C ATOM 699 CD ARG A 72 11.287 -9.201 1.639 1.00 2.26 C ATOM 700 NE ARG A 72 11.978 -9.359 2.919 1.00 2.51 N ATOM 701 CZ ARG A 72 11.623 -10.244 3.851 1.00 2.80 C ATOM 702 NH1 ARG A 72 10.558 -11.013 3.672 1.00 2.87 N ATOM 703 NH2 ARG A 72 12.328 -10.349 4.971 1.00 3.19 N ATOM 0 H ARG A 72 8.912 -6.701 -1.868 1.00 1.87 H new ATOM 0 HA ARG A 72 11.406 -6.452 -0.403 1.00 1.94 H new ATOM 0 HB2 ARG A 72 8.936 -7.089 0.371 1.00 1.94 H new ATOM 0 HB3 ARG A 72 9.437 -8.701 -0.100 1.00 1.94 H new ATOM 0 HG2 ARG A 72 11.175 -7.064 1.743 1.00 2.10 H new ATOM 0 HG3 ARG A 72 9.761 -7.888 2.371 1.00 2.10 H new ATOM 0 HD2 ARG A 72 10.611 -10.042 1.486 1.00 2.26 H new ATOM 0 HD3 ARG A 72 12.015 -9.226 0.829 1.00 2.26 H new ATOM 0 HE ARG A 72 12.779 -8.756 3.110 1.00 2.51 H new ATOM 0 HH11 ARG A 72 10.006 -10.929 2.818 1.00 2.87 H new ATOM 0 HH12 ARG A 72 10.291 -11.689 4.388 1.00 2.87 H new ATOM 0 HH21 ARG A 72 13.142 -9.752 5.119 1.00 3.19 H new ATOM 0 HH22 ARG A 72 12.056 -11.026 5.683 1.00 3.19 H new ATOM 710 N LEU A 73 12.693 -7.919 -1.979 1.00 2.21 N ATOM 711 CA LEU A 73 13.536 -8.877 -2.673 1.00 2.39 C ATOM 712 C LEU A 73 14.145 -9.871 -1.693 1.00 2.42 C ATOM 713 O LEU A 73 14.715 -9.482 -0.673 1.00 2.37 O ATOM 714 CB LEU A 73 14.643 -8.159 -3.452 1.00 2.56 C ATOM 715 CG LEU A 73 14.181 -7.145 -4.505 1.00 2.68 C ATOM 716 CD1 LEU A 73 15.378 -6.505 -5.189 1.00 2.99 C ATOM 717 CD2 LEU A 73 13.268 -7.807 -5.527 1.00 2.98 C ATOM 0 H LEU A 73 13.122 -7.004 -1.838 1.00 2.21 H new ATOM 0 HA LEU A 73 12.912 -9.425 -3.379 1.00 2.39 H new ATOM 0 HB2 LEU A 73 15.285 -7.643 -2.738 1.00 2.56 H new ATOM 0 HB3 LEU A 73 15.257 -8.911 -3.947 1.00 2.56 H new ATOM 0 HG LEU A 73 13.614 -6.362 -4.001 1.00 2.68 H new ATOM 0 HD11 LEU A 73 15.031 -5.788 -5.933 1.00 2.99 H new ATOM 0 HD12 LEU A 73 15.989 -5.991 -4.447 1.00 2.99 H new ATOM 0 HD13 LEU A 73 15.973 -7.276 -5.678 1.00 2.99 H new ATOM 0 HD21 LEU A 73 12.952 -7.069 -6.265 1.00 2.98 H new ATOM 0 HD22 LEU A 73 13.805 -8.613 -6.027 1.00 2.98 H new ATOM 0 HD23 LEU A 73 12.392 -8.214 -5.022 1.00 2.98 H new ATOM 719 N ARG A 74 13.998 -11.153 -1.993 1.00 2.59 N ATOM 720 CA ARG A 74 14.539 -12.208 -1.152 1.00 2.69 C ATOM 721 C ARG A 74 15.865 -12.706 -1.712 1.00 2.85 C ATOM 722 O ARG A 74 16.837 -12.882 -0.977 1.00 3.08 O ATOM 723 CB ARG A 74 13.550 -13.374 -1.038 1.00 2.86 C ATOM 724 CG ARG A 74 12.209 -12.997 -0.429 1.00 2.94 C ATOM 725 CD ARG A 74 12.364 -12.538 1.012 1.00 3.04 C ATOM 726 NE ARG A 74 12.467 -13.658 1.946 1.00 3.21 N ATOM 727 CZ ARG A 74 13.226 -13.651 3.042 1.00 3.37 C ATOM 728 NH1 ARG A 74 13.985 -12.599 3.324 1.00 3.57 N ATOM 729 NH2 ARG A 74 13.222 -14.697 3.860 1.00 3.67 N ATOM 0 H ARG A 74 13.504 -11.489 -2.820 1.00 2.59 H new ATOM 0 HA ARG A 74 14.706 -11.795 -0.157 1.00 2.69 H new ATOM 0 HB2 ARG A 74 13.381 -13.791 -2.031 1.00 2.86 H new ATOM 0 HB3 ARG A 74 14.002 -14.161 -0.435 1.00 2.86 H new ATOM 0 HG2 ARG A 74 11.750 -12.203 -1.018 1.00 2.94 H new ATOM 0 HG3 ARG A 74 11.536 -13.853 -0.469 1.00 2.94 H new ATOM 0 HD2 ARG A 74 13.254 -11.914 1.098 1.00 3.04 H new ATOM 0 HD3 ARG A 74 11.511 -11.917 1.286 1.00 3.04 H new ATOM 0 HE ARG A 74 11.924 -14.498 1.746 1.00 3.21 H new ATOM 0 HH11 ARG A 74 13.989 -11.791 2.701 1.00 3.57 H new ATOM 0 HH12 ARG A 74 14.564 -12.598 4.164 1.00 3.57 H new ATOM 0 HH21 ARG A 74 12.638 -15.506 3.650 1.00 3.67 H new ATOM 0 HH22 ARG A 74 13.803 -14.691 4.698 1.00 3.67 H new ATOM 736 N GLY A 75 15.900 -12.920 -3.018 1.00 2.88 N ATOM 737 CA GLY A 75 17.108 -13.394 -3.656 1.00 3.05 C ATOM 738 C GLY A 75 17.940 -12.254 -4.201 1.00 3.01 C ATOM 739 O GLY A 75 17.752 -11.833 -5.341 1.00 3.08 O ATOM 0 H GLY A 75 15.111 -12.773 -3.648 1.00 2.88 H new ATOM 0 HA2 GLY A 75 17.698 -13.964 -2.939 1.00 3.05 H new ATOM 0 HA3 GLY A 75 16.848 -14.074 -4.467 1.00 3.05 H new ATOM 741 N GLY A 76 18.853 -11.752 -3.384 1.00 3.12 N ATOM 742 CA GLY A 76 19.705 -10.657 -3.796 1.00 3.16 C ATOM 743 C GLY A 76 21.009 -10.651 -3.028 1.00 3.40 C ATOM 744 O GLY A 76 21.104 -11.371 -2.011 1.00 3.61 O ATOM 745 OXT GLY A 76 21.941 -9.925 -3.425 1.00 3.82 O ATOM 0 H GLY A 76 19.020 -12.087 -2.435 1.00 3.12 H new ATOM 0 HA2 GLY A 76 19.910 -10.736 -4.864 1.00 3.16 H new ATOM 0 HA3 GLY A 76 19.185 -9.712 -3.640 1.00 3.16 H new TER 747 GLY A 76 ATOM 748 N GLY B 386 37.098 10.592 -1.833 1.00 5.66 N ATOM 749 CA GLY B 386 36.133 10.256 -0.759 1.00 5.25 C ATOM 750 C GLY B 386 35.435 8.940 -1.014 1.00 5.04 C ATOM 751 O GLY B 386 35.098 8.619 -2.156 1.00 5.15 O ATOM 0 HA2 GLY B 386 36.656 10.209 0.196 1.00 5.25 H new ATOM 0 HA3 GLY B 386 35.391 11.050 -0.678 1.00 5.25 H new ATOM 755 N SER B 387 35.224 8.175 0.045 1.00 4.86 N ATOM 756 CA SER B 387 34.562 6.887 -0.056 1.00 4.74 C ATOM 757 C SER B 387 33.046 7.058 0.005 1.00 4.13 C ATOM 758 O SER B 387 32.440 6.991 1.076 1.00 3.94 O ATOM 759 CB SER B 387 35.047 5.978 1.076 1.00 5.02 C ATOM 760 OG SER B 387 35.718 6.738 2.070 1.00 5.53 O ATOM 0 H SER B 387 35.505 8.428 0.992 1.00 4.86 H new ATOM 0 HA SER B 387 34.810 6.430 -1.014 1.00 4.74 H new ATOM 0 HB2 SER B 387 34.199 5.456 1.520 1.00 5.02 H new ATOM 0 HB3 SER B 387 35.718 5.217 0.677 1.00 5.02 H new ATOM 0 HG SER B 387 36.021 6.143 2.788 1.00 5.53 H new ATOM 763 N ALA B 388 32.440 7.295 -1.149 1.00 3.98 N ATOM 764 CA ALA B 388 31.002 7.487 -1.225 1.00 3.52 C ATOM 765 C ALA B 388 30.275 6.156 -1.384 1.00 3.44 C ATOM 766 O ALA B 388 29.941 5.741 -2.497 1.00 3.60 O ATOM 767 CB ALA B 388 30.644 8.437 -2.358 1.00 3.67 C ATOM 0 H ALA B 388 32.923 7.359 -2.045 1.00 3.98 H new ATOM 0 HA ALA B 388 30.675 7.935 -0.287 1.00 3.52 H new ATOM 0 HB1 ALA B 388 29.562 8.566 -2.396 1.00 3.67 H new ATOM 0 HB2 ALA B 388 31.119 9.403 -2.187 1.00 3.67 H new ATOM 0 HB3 ALA B 388 30.994 8.023 -3.304 1.00 3.67 H new ATOM 769 N THR B 389 30.054 5.479 -0.265 1.00 3.36 N ATOM 770 CA THR B 389 29.356 4.203 -0.267 1.00 3.41 C ATOM 771 C THR B 389 27.877 4.398 -0.595 1.00 2.94 C ATOM 772 O THR B 389 27.218 3.497 -1.106 1.00 3.10 O ATOM 773 CB THR B 389 29.482 3.520 1.105 1.00 3.60 C ATOM 774 OG1 THR B 389 30.715 3.926 1.713 1.00 3.89 O ATOM 775 CG2 THR B 389 29.471 2.007 0.950 1.00 4.15 C ATOM 0 H THR B 389 30.350 5.795 0.659 1.00 3.36 H new ATOM 0 HA THR B 389 29.813 3.573 -1.030 1.00 3.41 H new ATOM 0 HB THR B 389 28.638 3.813 1.729 1.00 3.60 H new ATOM 0 HG1 THR B 389 30.804 3.497 2.590 1.00 3.89 H new ATOM 0 HG21 THR B 389 29.561 1.540 1.931 1.00 4.15 H new ATOM 0 HG22 THR B 389 28.536 1.696 0.484 1.00 4.15 H new ATOM 0 HG23 THR B 389 30.308 1.699 0.323 1.00 4.15 H new ATOM 778 N PHE B 390 27.375 5.588 -0.308 1.00 2.51 N ATOM 779 CA PHE B 390 25.982 5.912 -0.567 1.00 2.18 C ATOM 780 C PHE B 390 25.869 7.077 -1.546 1.00 2.40 C ATOM 781 O PHE B 390 26.227 8.208 -1.219 1.00 2.42 O ATOM 782 CB PHE B 390 25.233 6.225 0.738 1.00 1.78 C ATOM 783 CG PHE B 390 26.114 6.395 1.947 1.00 1.73 C ATOM 784 CD1 PHE B 390 26.684 7.624 2.242 1.00 1.94 C ATOM 785 CD2 PHE B 390 26.371 5.323 2.788 1.00 1.81 C ATOM 786 CE1 PHE B 390 27.492 7.780 3.353 1.00 2.24 C ATOM 787 CE2 PHE B 390 27.176 5.472 3.898 1.00 2.14 C ATOM 788 CZ PHE B 390 27.739 6.702 4.182 1.00 2.35 C ATOM 0 H PHE B 390 27.914 6.348 0.106 1.00 2.51 H new ATOM 0 HA PHE B 390 25.515 5.037 -1.020 1.00 2.18 H new ATOM 0 HB2 PHE B 390 24.653 7.137 0.598 1.00 1.78 H new ATOM 0 HB3 PHE B 390 24.522 5.422 0.934 1.00 1.78 H new ATOM 0 HD1 PHE B 390 26.495 8.469 1.597 1.00 1.94 H new ATOM 0 HD2 PHE B 390 25.935 4.359 2.571 1.00 1.81 H new ATOM 0 HE1 PHE B 390 27.929 8.743 3.573 1.00 2.24 H new ATOM 0 HE2 PHE B 390 27.366 4.628 4.545 1.00 2.14 H new ATOM 0 HZ PHE B 390 28.371 6.820 5.050 1.00 2.35 H new ATOM 790 N PRO B 391 25.394 6.803 -2.771 1.00 2.81 N ATOM 791 CA PRO B 391 25.228 7.827 -3.810 1.00 3.25 C ATOM 792 C PRO B 391 24.171 8.865 -3.432 1.00 3.24 C ATOM 793 O PRO B 391 23.178 8.546 -2.772 1.00 3.11 O ATOM 794 CB PRO B 391 24.780 7.032 -5.043 1.00 3.77 C ATOM 795 CG PRO B 391 25.143 5.616 -4.741 1.00 3.71 C ATOM 796 CD PRO B 391 25.000 5.471 -3.254 1.00 3.08 C ATOM 0 HA PRO B 391 26.146 8.393 -3.969 1.00 3.25 H new ATOM 0 HB2 PRO B 391 23.708 7.137 -5.213 1.00 3.77 H new ATOM 0 HB3 PRO B 391 25.282 7.385 -5.944 1.00 3.77 H new ATOM 0 HG2 PRO B 391 24.487 4.922 -5.267 1.00 3.71 H new ATOM 0 HG3 PRO B 391 26.162 5.396 -5.060 1.00 3.71 H new ATOM 0 HD2 PRO B 391 23.979 5.219 -2.966 1.00 3.08 H new ATOM 0 HD3 PRO B 391 25.645 4.687 -2.858 1.00 3.08 H new ATOM 797 N GLU B 392 24.397 10.098 -3.873 1.00 3.53 N ATOM 798 CA GLU B 392 23.508 11.221 -3.587 1.00 3.79 C ATOM 799 C GLU B 392 22.048 10.931 -3.943 1.00 4.15 C ATOM 800 O GLU B 392 21.162 11.026 -3.089 1.00 4.22 O ATOM 801 CB GLU B 392 23.997 12.458 -4.340 1.00 4.22 C ATOM 802 CG GLU B 392 24.439 13.602 -3.446 1.00 4.39 C ATOM 803 CD GLU B 392 23.279 14.469 -3.013 1.00 4.87 C ATOM 804 OE1 GLU B 392 22.746 15.213 -3.857 1.00 5.03 O ATOM 805 OE2 GLU B 392 22.893 14.407 -1.828 1.00 5.36 O ATOM 0 H GLU B 392 25.206 10.349 -4.442 1.00 3.53 H new ATOM 0 HA GLU B 392 23.538 11.395 -2.511 1.00 3.79 H new ATOM 0 HB2 GLU B 392 24.830 12.172 -4.982 1.00 4.22 H new ATOM 0 HB3 GLU B 392 23.198 12.811 -4.993 1.00 4.22 H new ATOM 0 HG2 GLU B 392 24.939 13.200 -2.565 1.00 4.39 H new ATOM 0 HG3 GLU B 392 25.170 14.213 -3.976 1.00 4.39 H new ATOM 807 N GLN B 393 21.809 10.573 -5.201 1.00 4.48 N ATOM 808 CA GLN B 393 20.461 10.285 -5.682 1.00 4.92 C ATOM 809 C GLN B 393 19.837 9.108 -4.939 1.00 4.64 C ATOM 810 O GLN B 393 18.669 9.159 -4.546 1.00 4.87 O ATOM 811 CB GLN B 393 20.481 10.005 -7.185 1.00 5.33 C ATOM 812 CG GLN B 393 19.111 9.730 -7.786 1.00 5.88 C ATOM 813 CD GLN B 393 19.173 9.368 -9.256 1.00 6.31 C ATOM 814 OE1 GLN B 393 18.255 9.668 -10.019 1.00 6.89 O ATOM 815 NE2 GLN B 393 20.249 8.712 -9.663 1.00 6.15 N ATOM 0 H GLN B 393 22.536 10.475 -5.910 1.00 4.48 H new ATOM 0 HA GLN B 393 19.848 11.165 -5.489 1.00 4.92 H new ATOM 0 HB2 GLN B 393 20.925 10.859 -7.696 1.00 5.33 H new ATOM 0 HB3 GLN B 393 21.127 9.148 -7.375 1.00 5.33 H new ATOM 0 HG2 GLN B 393 18.636 8.917 -7.237 1.00 5.88 H new ATOM 0 HG3 GLN B 393 18.481 10.611 -7.660 1.00 5.88 H new ATOM 0 HE21 GLN B 393 20.988 8.482 -8.999 1.00 6.15 H new ATOM 0 HE22 GLN B 393 20.339 8.436 -10.641 1.00 6.15 H new ATOM 819 N THR B 394 20.626 8.059 -4.745 1.00 4.20 N ATOM 820 CA THR B 394 20.172 6.860 -4.058 1.00 3.93 C ATOM 821 C THR B 394 19.624 7.186 -2.667 1.00 3.56 C ATOM 822 O THR B 394 18.528 6.752 -2.308 1.00 3.63 O ATOM 823 CB THR B 394 21.319 5.846 -3.941 1.00 3.63 C ATOM 824 OG1 THR B 394 21.914 5.675 -5.234 1.00 3.81 O ATOM 825 CG2 THR B 394 20.813 4.505 -3.439 1.00 3.99 C ATOM 0 H THR B 394 21.596 8.017 -5.059 1.00 4.20 H new ATOM 0 HA THR B 394 19.365 6.426 -4.648 1.00 3.93 H new ATOM 0 HB THR B 394 22.052 6.223 -3.227 1.00 3.63 H new ATOM 0 HG1 THR B 394 22.275 4.767 -5.310 1.00 3.81 H new ATOM 0 HG21 THR B 394 21.646 3.806 -3.366 1.00 3.99 H new ATOM 0 HG22 THR B 394 20.359 4.632 -2.456 1.00 3.99 H new ATOM 0 HG23 THR B 394 20.071 4.113 -4.134 1.00 3.99 H new ATOM 828 N ILE B 395 20.380 7.965 -1.900 1.00 3.27 N ATOM 829 CA ILE B 395 19.959 8.349 -0.561 1.00 3.10 C ATOM 830 C ILE B 395 18.664 9.148 -0.624 1.00 3.74 C ATOM 831 O ILE B 395 17.695 8.834 0.065 1.00 3.80 O ATOM 832 CB ILE B 395 21.031 9.195 0.162 1.00 2.95 C ATOM 833 CG1 ILE B 395 22.336 8.411 0.304 1.00 2.38 C ATOM 834 CG2 ILE B 395 20.529 9.643 1.531 1.00 3.09 C ATOM 835 CD1 ILE B 395 23.474 9.224 0.879 1.00 2.39 C ATOM 0 H ILE B 395 21.285 8.341 -2.183 1.00 3.27 H new ATOM 0 HA ILE B 395 19.808 7.428 0.002 1.00 3.10 H new ATOM 0 HB ILE B 395 21.227 10.081 -0.442 1.00 2.95 H new ATOM 0 HG12 ILE B 395 22.161 7.545 0.942 1.00 2.38 H new ATOM 0 HG13 ILE B 395 22.630 8.032 -0.675 1.00 2.38 H new ATOM 0 HG21 ILE B 395 21.298 10.237 2.024 1.00 3.09 H new ATOM 0 HG22 ILE B 395 19.628 10.245 1.409 1.00 3.09 H new ATOM 0 HG23 ILE B 395 20.301 8.768 2.139 1.00 3.09 H new ATOM 0 HD11 ILE B 395 24.366 8.602 0.950 1.00 2.39 H new ATOM 0 HD12 ILE B 395 23.677 10.076 0.230 1.00 2.39 H new ATOM 0 HD13 ILE B 395 23.201 9.581 1.872 1.00 2.39 H new ATOM 837 N LYS B 396 18.648 10.161 -1.483 1.00 4.27 N ATOM 838 CA LYS B 396 17.488 11.029 -1.633 1.00 4.94 C ATOM 839 C LYS B 396 16.213 10.265 -1.985 1.00 5.14 C ATOM 840 O LYS B 396 15.163 10.503 -1.386 1.00 5.49 O ATOM 841 CB LYS B 396 17.767 12.155 -2.628 1.00 5.46 C ATOM 842 CG LYS B 396 18.594 13.284 -2.035 1.00 5.48 C ATOM 843 CD LYS B 396 19.092 14.241 -3.102 1.00 5.92 C ATOM 844 CE LYS B 396 19.702 15.484 -2.477 1.00 5.98 C ATOM 845 NZ LYS B 396 20.383 16.339 -3.484 1.00 6.27 N ATOM 0 H LYS B 396 19.432 10.402 -2.090 1.00 4.27 H new ATOM 0 HA LYS B 396 17.307 11.479 -0.657 1.00 4.94 H new ATOM 0 HB2 LYS B 396 18.289 11.746 -3.493 1.00 5.46 H new ATOM 0 HB3 LYS B 396 16.820 12.557 -2.988 1.00 5.46 H new ATOM 0 HG2 LYS B 396 17.993 13.831 -1.308 1.00 5.48 H new ATOM 0 HG3 LYS B 396 19.445 12.867 -1.496 1.00 5.48 H new ATOM 0 HD2 LYS B 396 19.834 13.742 -3.726 1.00 5.92 H new ATOM 0 HD3 LYS B 396 18.266 14.525 -3.754 1.00 5.92 H new ATOM 0 HE2 LYS B 396 18.921 16.061 -1.981 1.00 5.98 H new ATOM 0 HE3 LYS B 396 20.417 15.189 -1.709 1.00 5.98 H new ATOM 0 HZ1 LYS B 396 20.755 17.192 -3.020 1.00 6.27 H new ATOM 0 HZ2 LYS B 396 21.167 15.809 -3.916 1.00 6.27 H new ATOM 0 HZ3 LYS B 396 19.704 16.615 -4.222 1.00 6.27 H new ATOM 850 N GLN B 397 16.302 9.337 -2.933 1.00 4.97 N ATOM 851 CA GLN B 397 15.132 8.557 -3.331 1.00 5.20 C ATOM 852 C GLN B 397 14.644 7.661 -2.196 1.00 4.86 C ATOM 853 O GLN B 397 13.446 7.420 -2.056 1.00 5.21 O ATOM 854 CB GLN B 397 15.394 7.734 -4.595 1.00 5.18 C ATOM 855 CG GLN B 397 14.484 8.104 -5.758 1.00 5.73 C ATOM 856 CD GLN B 397 14.196 6.940 -6.692 1.00 6.44 C ATOM 857 OE1 GLN B 397 14.954 6.675 -7.624 1.00 6.73 O ATOM 858 NE2 GLN B 397 13.091 6.249 -6.454 1.00 6.91 N ATOM 0 H GLN B 397 17.160 9.108 -3.435 1.00 4.97 H new ATOM 0 HA GLN B 397 14.343 9.272 -3.561 1.00 5.20 H new ATOM 0 HB2 GLN B 397 16.432 7.869 -4.899 1.00 5.18 H new ATOM 0 HB3 GLN B 397 15.264 6.677 -4.364 1.00 5.18 H new ATOM 0 HG2 GLN B 397 13.542 8.487 -5.365 1.00 5.73 H new ATOM 0 HG3 GLN B 397 14.944 8.912 -6.327 1.00 5.73 H new ATOM 0 HE21 GLN B 397 12.490 6.502 -5.670 1.00 6.91 H new ATOM 0 HE22 GLN B 397 12.841 5.464 -7.055 1.00 6.91 H new ATOM 862 N LEU B 398 15.572 7.175 -1.381 1.00 4.22 N ATOM 863 CA LEU B 398 15.220 6.316 -0.257 1.00 3.91 C ATOM 864 C LEU B 398 14.687 7.134 0.921 1.00 4.20 C ATOM 865 O LEU B 398 13.928 6.629 1.748 1.00 4.31 O ATOM 866 CB LEU B 398 16.405 5.445 0.165 1.00 3.19 C ATOM 867 CG LEU B 398 16.830 4.364 -0.836 1.00 3.01 C ATOM 868 CD1 LEU B 398 18.042 3.602 -0.325 1.00 2.41 C ATOM 869 CD2 LEU B 398 15.680 3.409 -1.122 1.00 3.33 C ATOM 0 H LEU B 398 16.571 7.360 -1.476 1.00 4.22 H new ATOM 0 HA LEU B 398 14.421 5.652 -0.586 1.00 3.91 H new ATOM 0 HB2 LEU B 398 17.260 6.095 0.354 1.00 3.19 H new ATOM 0 HB3 LEU B 398 16.157 4.961 1.110 1.00 3.19 H new ATOM 0 HG LEU B 398 17.104 4.857 -1.769 1.00 3.01 H new ATOM 0 HD11 LEU B 398 18.326 2.840 -1.051 1.00 2.41 H new ATOM 0 HD12 LEU B 398 18.872 4.293 -0.181 1.00 2.41 H new ATOM 0 HD13 LEU B 398 17.798 3.125 0.624 1.00 2.41 H new ATOM 0 HD21 LEU B 398 16.005 2.651 -1.835 1.00 3.33 H new ATOM 0 HD22 LEU B 398 15.369 2.926 -0.196 1.00 3.33 H new ATOM 0 HD23 LEU B 398 14.841 3.965 -1.541 1.00 3.33 H new ATOM 871 N MET B 399 15.085 8.399 0.991 1.00 4.44 N ATOM 872 CA MET B 399 14.630 9.285 2.062 1.00 4.88 C ATOM 873 C MET B 399 13.182 9.683 1.824 1.00 5.49 C ATOM 874 O MET B 399 12.448 10.003 2.761 1.00 5.80 O ATOM 875 CB MET B 399 15.503 10.542 2.149 1.00 5.10 C ATOM 876 CG MET B 399 16.949 10.299 2.550 1.00 4.64 C ATOM 877 SD MET B 399 17.138 9.666 4.228 1.00 4.61 S ATOM 878 CE MET B 399 17.036 7.898 3.940 1.00 4.32 C ATOM 0 H MET B 399 15.720 8.835 0.322 1.00 4.44 H new ATOM 0 HA MET B 399 14.711 8.745 3.005 1.00 4.88 H new ATOM 0 HB2 MET B 399 15.490 11.042 1.180 1.00 5.10 H new ATOM 0 HB3 MET B 399 15.054 11.228 2.867 1.00 5.10 H new ATOM 0 HG2 MET B 399 17.397 9.592 1.852 1.00 4.64 H new ATOM 0 HG3 MET B 399 17.504 11.233 2.458 1.00 4.64 H new ATOM 0 HE1 MET B 399 17.629 7.373 4.688 1.00 4.32 H new ATOM 0 HE2 MET B 399 15.997 7.577 4.010 1.00 4.32 H new ATOM 0 HE3 MET B 399 17.420 7.669 2.946 1.00 4.32 H new ATOM 880 N ASP B 400 12.775 9.635 0.558 1.00 5.70 N ATOM 881 CA ASP B 400 11.418 9.991 0.156 1.00 6.29 C ATOM 882 C ASP B 400 10.387 9.080 0.813 1.00 6.21 C ATOM 883 O ASP B 400 9.269 9.503 1.100 1.00 6.69 O ATOM 884 CB ASP B 400 11.279 9.920 -1.368 1.00 6.57 C ATOM 885 CG ASP B 400 9.918 10.371 -1.858 1.00 7.23 C ATOM 886 OD1 ASP B 400 9.694 11.596 -1.957 1.00 7.71 O ATOM 887 OD2 ASP B 400 9.068 9.510 -2.158 1.00 7.36 O ATOM 0 H ASP B 400 13.375 9.349 -0.216 1.00 5.70 H new ATOM 0 HA ASP B 400 11.231 11.012 0.488 1.00 6.29 H new ATOM 0 HB2 ASP B 400 12.049 10.540 -1.827 1.00 6.57 H new ATOM 0 HB3 ASP B 400 11.457 8.896 -1.697 1.00 6.57 H new ATOM 889 N LEU B 401 10.791 7.839 1.079 1.00 5.62 N ATOM 890 CA LEU B 401 9.911 6.852 1.703 1.00 5.54 C ATOM 891 C LEU B 401 9.540 7.257 3.131 1.00 5.60 C ATOM 892 O LEU B 401 8.596 6.721 3.715 1.00 5.69 O ATOM 893 CB LEU B 401 10.582 5.472 1.715 1.00 4.92 C ATOM 894 CG LEU B 401 11.355 5.071 0.453 1.00 4.95 C ATOM 895 CD1 LEU B 401 12.223 3.852 0.723 1.00 4.41 C ATOM 896 CD2 LEU B 401 10.406 4.802 -0.702 1.00 5.58 C ATOM 0 H LEU B 401 11.727 7.492 0.871 1.00 5.62 H new ATOM 0 HA LEU B 401 8.996 6.806 1.112 1.00 5.54 H new ATOM 0 HB2 LEU B 401 11.269 5.435 2.561 1.00 4.92 H new ATOM 0 HB3 LEU B 401 9.813 4.721 1.896 1.00 4.92 H new ATOM 0 HG LEU B 401 12.002 5.903 0.174 1.00 4.95 H new ATOM 0 HD11 LEU B 401 12.764 3.582 -0.184 1.00 4.41 H new ATOM 0 HD12 LEU B 401 12.935 4.081 1.516 1.00 4.41 H new ATOM 0 HD13 LEU B 401 11.593 3.018 1.031 1.00 4.41 H new ATOM 0 HD21 LEU B 401 10.979 4.519 -1.585 1.00 5.58 H new ATOM 0 HD22 LEU B 401 9.728 3.991 -0.435 1.00 5.58 H new ATOM 0 HD23 LEU B 401 9.829 5.702 -0.916 1.00 5.58 H new ATOM 898 N GLY B 402 10.280 8.209 3.686 1.00 5.66 N ATOM 899 CA GLY B 402 10.011 8.664 5.034 1.00 5.87 C ATOM 900 C GLY B 402 10.920 8.005 6.049 1.00 5.33 C ATOM 901 O GLY B 402 10.493 7.668 7.153 1.00 5.44 O ATOM 0 H GLY B 402 11.062 8.674 3.225 1.00 5.66 H new ATOM 0 HA2 GLY B 402 10.137 9.746 5.083 1.00 5.87 H new ATOM 0 HA3 GLY B 402 8.972 8.453 5.287 1.00 5.87 H new ATOM 903 N PHE B 403 12.180 7.831 5.678 1.00 4.83 N ATOM 904 CA PHE B 403 13.154 7.205 6.557 1.00 4.33 C ATOM 905 C PHE B 403 14.309 8.157 6.847 1.00 4.31 C ATOM 906 O PHE B 403 14.569 9.075 6.071 1.00 4.40 O ATOM 907 CB PHE B 403 13.670 5.901 5.941 1.00 3.68 C ATOM 908 CG PHE B 403 12.648 4.800 5.933 1.00 3.66 C ATOM 909 CD1 PHE B 403 12.406 4.054 7.075 1.00 3.58 C ATOM 910 CD2 PHE B 403 11.926 4.515 4.788 1.00 3.89 C ATOM 911 CE1 PHE B 403 11.464 3.045 7.074 1.00 3.68 C ATOM 912 CE2 PHE B 403 10.981 3.508 4.780 1.00 3.98 C ATOM 913 CZ PHE B 403 10.750 2.772 5.924 1.00 3.85 C ATOM 0 H PHE B 403 12.552 8.116 4.772 1.00 4.83 H new ATOM 0 HA PHE B 403 12.663 6.969 7.501 1.00 4.33 H new ATOM 0 HB2 PHE B 403 13.993 6.094 4.918 1.00 3.68 H new ATOM 0 HB3 PHE B 403 14.548 5.568 6.495 1.00 3.68 H new ATOM 0 HD1 PHE B 403 12.961 4.264 7.977 1.00 3.58 H new ATOM 0 HD2 PHE B 403 12.104 5.087 3.889 1.00 3.89 H new ATOM 0 HE1 PHE B 403 11.286 2.470 7.971 1.00 3.68 H new ATOM 0 HE2 PHE B 403 10.423 3.297 3.879 1.00 3.98 H new ATOM 0 HZ PHE B 403 10.012 1.984 5.920 1.00 3.85 H new ATOM 915 N PRO B 404 14.993 7.973 7.986 1.00 4.32 N ATOM 916 CA PRO B 404 16.126 8.819 8.370 1.00 4.41 C ATOM 917 C PRO B 404 17.411 8.441 7.633 1.00 3.80 C ATOM 918 O PRO B 404 17.560 7.314 7.154 1.00 3.24 O ATOM 919 CB PRO B 404 16.272 8.536 9.864 1.00 4.72 C ATOM 920 CG PRO B 404 15.790 7.137 10.025 1.00 4.57 C ATOM 921 CD PRO B 404 14.703 6.943 9.003 1.00 4.39 C ATOM 0 HA PRO B 404 15.957 9.868 8.127 1.00 4.41 H new ATOM 0 HB2 PRO B 404 17.307 8.639 10.189 1.00 4.72 H new ATOM 0 HB3 PRO B 404 15.680 9.231 10.460 1.00 4.72 H new ATOM 0 HG2 PRO B 404 16.601 6.426 9.869 1.00 4.57 H new ATOM 0 HG3 PRO B 404 15.410 6.971 11.033 1.00 4.57 H new ATOM 0 HD2 PRO B 404 14.729 5.940 8.576 1.00 4.39 H new ATOM 0 HD3 PRO B 404 13.714 7.079 9.440 1.00 4.39 H new ATOM 922 N ARG B 405 18.339 9.389 7.564 1.00 3.93 N ATOM 923 CA ARG B 405 19.617 9.181 6.894 1.00 3.43 C ATOM 924 C ARG B 405 20.430 8.097 7.599 1.00 3.13 C ATOM 925 O ARG B 405 21.179 7.360 6.964 1.00 2.60 O ATOM 926 CB ARG B 405 20.402 10.496 6.830 1.00 3.80 C ATOM 927 CG ARG B 405 21.511 10.524 5.788 1.00 3.40 C ATOM 928 CD ARG B 405 21.828 11.951 5.363 1.00 3.80 C ATOM 929 NE ARG B 405 23.029 12.030 4.530 1.00 3.58 N ATOM 930 CZ ARG B 405 23.026 12.353 3.234 1.00 3.71 C ATOM 931 NH1 ARG B 405 21.886 12.652 2.618 1.00 4.16 N ATOM 932 NH2 ARG B 405 24.166 12.386 2.554 1.00 3.65 N ATOM 0 H ARG B 405 18.228 10.319 7.969 1.00 3.93 H new ATOM 0 HA ARG B 405 19.423 8.844 5.876 1.00 3.43 H new ATOM 0 HB2 ARG B 405 19.706 11.309 6.622 1.00 3.80 H new ATOM 0 HB3 ARG B 405 20.838 10.692 7.810 1.00 3.80 H new ATOM 0 HG2 ARG B 405 22.407 10.055 6.194 1.00 3.40 H new ATOM 0 HG3 ARG B 405 21.211 9.940 4.918 1.00 3.40 H new ATOM 0 HD2 ARG B 405 20.980 12.361 4.814 1.00 3.80 H new ATOM 0 HD3 ARG B 405 21.963 12.570 6.250 1.00 3.80 H new ATOM 0 HE ARG B 405 23.927 11.825 4.968 1.00 3.58 H new ATOM 0 HH11 ARG B 405 21.007 12.636 3.135 1.00 4.16 H new ATOM 0 HH12 ARG B 405 21.890 12.898 1.628 1.00 4.16 H new ATOM 0 HH21 ARG B 405 25.045 12.165 3.021 1.00 3.65 H new ATOM 0 HH22 ARG B 405 24.163 12.633 1.564 1.00 3.65 H new ATOM 939 N ASP B 406 20.266 7.999 8.911 1.00 3.59 N ATOM 940 CA ASP B 406 20.968 6.991 9.698 1.00 3.61 C ATOM 941 C ASP B 406 20.578 5.589 9.242 1.00 3.10 C ATOM 942 O ASP B 406 21.426 4.702 9.123 1.00 2.94 O ATOM 943 CB ASP B 406 20.659 7.166 11.192 1.00 4.30 C ATOM 944 CG ASP B 406 20.920 5.916 12.014 1.00 4.49 C ATOM 945 OD1 ASP B 406 22.097 5.547 12.194 1.00 4.69 O ATOM 946 OD2 ASP B 406 19.943 5.299 12.493 1.00 4.56 O ATOM 0 H ASP B 406 19.652 8.606 9.455 1.00 3.59 H new ATOM 0 HA ASP B 406 22.039 7.122 9.545 1.00 3.61 H new ATOM 0 HB2 ASP B 406 21.262 7.984 11.587 1.00 4.30 H new ATOM 0 HB3 ASP B 406 19.615 7.456 11.308 1.00 4.30 H new ATOM 948 N ALA B 407 19.293 5.412 8.953 1.00 2.99 N ATOM 949 CA ALA B 407 18.773 4.126 8.512 1.00 2.61 C ATOM 950 C ALA B 407 19.339 3.735 7.155 1.00 1.97 C ATOM 951 O ALA B 407 19.656 2.568 6.921 1.00 1.82 O ATOM 952 CB ALA B 407 17.255 4.152 8.462 1.00 2.79 C ATOM 0 H ALA B 407 18.590 6.149 9.017 1.00 2.99 H new ATOM 0 HA ALA B 407 19.088 3.376 9.237 1.00 2.61 H new ATOM 0 HB1 ALA B 407 16.885 3.182 8.130 1.00 2.79 H new ATOM 0 HB2 ALA B 407 16.862 4.370 9.455 1.00 2.79 H new ATOM 0 HB3 ALA B 407 16.927 4.923 7.765 1.00 2.79 H new ATOM 954 N VAL B 408 19.478 4.714 6.265 1.00 1.79 N ATOM 955 CA VAL B 408 20.005 4.445 4.932 1.00 1.26 C ATOM 956 C VAL B 408 21.470 4.014 4.989 1.00 1.12 C ATOM 957 O VAL B 408 21.899 3.160 4.219 1.00 1.03 O ATOM 958 CB VAL B 408 19.791 5.610 3.932 1.00 1.50 C ATOM 959 CG1 VAL B 408 20.888 6.661 4.022 1.00 1.63 C ATOM 960 CG2 VAL B 408 19.671 5.082 2.513 1.00 2.06 C ATOM 0 H VAL B 408 19.236 5.689 6.440 1.00 1.79 H new ATOM 0 HA VAL B 408 19.420 3.612 4.542 1.00 1.26 H new ATOM 0 HB VAL B 408 18.857 6.099 4.208 1.00 1.50 H new ATOM 0 HG11 VAL B 408 20.691 7.455 3.301 1.00 1.63 H new ATOM 0 HG12 VAL B 408 20.908 7.081 5.028 1.00 1.63 H new ATOM 0 HG13 VAL B 408 21.851 6.201 3.801 1.00 1.63 H new ATOM 0 HG21 VAL B 408 19.521 5.915 1.826 1.00 2.06 H new ATOM 0 HG22 VAL B 408 20.584 4.550 2.244 1.00 2.06 H new ATOM 0 HG23 VAL B 408 18.822 4.402 2.449 1.00 2.06 H new ATOM 962 N VAL B 409 22.224 4.582 5.925 1.00 1.57 N ATOM 963 CA VAL B 409 23.632 4.239 6.078 1.00 1.87 C ATOM 964 C VAL B 409 23.766 2.795 6.555 1.00 2.22 C ATOM 965 O VAL B 409 24.572 2.026 6.030 1.00 2.42 O ATOM 966 CB VAL B 409 24.348 5.183 7.069 1.00 2.46 C ATOM 967 CG1 VAL B 409 25.800 4.768 7.261 1.00 2.89 C ATOM 968 CG2 VAL B 409 24.270 6.622 6.580 1.00 2.44 C ATOM 0 H VAL B 409 21.884 5.280 6.587 1.00 1.57 H new ATOM 0 HA VAL B 409 24.108 4.353 5.104 1.00 1.87 H new ATOM 0 HB VAL B 409 23.843 5.112 8.032 1.00 2.46 H new ATOM 0 HG11 VAL B 409 26.283 5.448 7.963 1.00 2.89 H new ATOM 0 HG12 VAL B 409 25.839 3.752 7.654 1.00 2.89 H new ATOM 0 HG13 VAL B 409 26.319 4.806 6.303 1.00 2.89 H new ATOM 0 HG21 VAL B 409 24.779 7.275 7.289 1.00 2.44 H new ATOM 0 HG22 VAL B 409 24.750 6.701 5.604 1.00 2.44 H new ATOM 0 HG23 VAL B 409 23.225 6.922 6.496 1.00 2.44 H new ATOM 970 N LYS B 410 22.946 2.431 7.535 1.00 2.48 N ATOM 971 CA LYS B 410 22.956 1.082 8.089 1.00 2.94 C ATOM 972 C LYS B 410 22.569 0.065 7.027 1.00 2.75 C ATOM 973 O LYS B 410 23.223 -0.969 6.865 1.00 3.21 O ATOM 974 CB LYS B 410 21.982 0.986 9.263 1.00 3.26 C ATOM 975 CG LYS B 410 22.466 1.656 10.535 1.00 3.80 C ATOM 976 CD LYS B 410 21.318 1.872 11.503 1.00 4.13 C ATOM 977 CE LYS B 410 21.814 2.379 12.844 1.00 4.78 C ATOM 978 NZ LYS B 410 20.720 2.983 13.647 1.00 5.05 N ATOM 0 H LYS B 410 22.263 3.055 7.964 1.00 2.48 H new ATOM 0 HA LYS B 410 23.966 0.865 8.438 1.00 2.94 H new ATOM 0 HB2 LYS B 410 21.033 1.434 8.969 1.00 3.26 H new ATOM 0 HB3 LYS B 410 21.787 -0.066 9.472 1.00 3.26 H new ATOM 0 HG2 LYS B 410 23.233 1.041 11.006 1.00 3.80 H new ATOM 0 HG3 LYS B 410 22.928 2.613 10.294 1.00 3.80 H new ATOM 0 HD2 LYS B 410 20.613 2.587 11.080 1.00 4.13 H new ATOM 0 HD3 LYS B 410 20.777 0.936 11.643 1.00 4.13 H new ATOM 0 HE2 LYS B 410 22.261 1.555 13.401 1.00 4.78 H new ATOM 0 HE3 LYS B 410 22.599 3.119 12.685 1.00 4.78 H new ATOM 0 HZ1 LYS B 410 21.127 3.523 14.437 1.00 5.05 H new ATOM 0 HZ2 LYS B 410 20.159 3.619 13.046 1.00 5.05 H new ATOM 0 HZ3 LYS B 410 20.108 2.230 14.021 1.00 5.05 H new ATOM 983 N ALA B 411 21.499 0.362 6.304 1.00 2.23 N ATOM 984 CA ALA B 411 21.023 -0.522 5.255 1.00 2.26 C ATOM 985 C ALA B 411 22.051 -0.643 4.141 1.00 2.41 C ATOM 986 O ALA B 411 22.355 -1.744 3.694 1.00 2.96 O ATOM 987 CB ALA B 411 19.691 -0.037 4.703 1.00 1.89 C ATOM 0 H ALA B 411 20.945 1.210 6.426 1.00 2.23 H new ATOM 0 HA ALA B 411 20.874 -1.510 5.690 1.00 2.26 H new ATOM 0 HB1 ALA B 411 19.354 -0.715 3.919 1.00 1.89 H new ATOM 0 HB2 ALA B 411 18.952 -0.013 5.504 1.00 1.89 H new ATOM 0 HB3 ALA B 411 19.811 0.965 4.290 1.00 1.89 H new ATOM 989 N LEU B 412 22.600 0.491 3.718 1.00 2.05 N ATOM 990 CA LEU B 412 23.589 0.522 2.644 1.00 2.33 C ATOM 991 C LEU B 412 24.830 -0.297 2.973 1.00 2.95 C ATOM 992 O LEU B 412 25.249 -1.145 2.185 1.00 3.45 O ATOM 993 CB LEU B 412 23.988 1.962 2.308 1.00 1.90 C ATOM 994 CG LEU B 412 23.150 2.697 1.251 1.00 1.88 C ATOM 995 CD1 LEU B 412 23.955 2.900 -0.018 1.00 2.59 C ATOM 996 CD2 LEU B 412 21.856 1.959 0.945 1.00 1.91 C ATOM 0 H LEU B 412 22.375 1.407 4.105 1.00 2.05 H new ATOM 0 HA LEU B 412 23.115 0.069 1.773 1.00 2.33 H new ATOM 0 HB2 LEU B 412 23.956 2.544 3.229 1.00 1.90 H new ATOM 0 HB3 LEU B 412 25.025 1.955 1.971 1.00 1.90 H new ATOM 0 HG LEU B 412 22.885 3.671 1.662 1.00 1.88 H new ATOM 0 HD11 LEU B 412 23.346 3.422 -0.756 1.00 2.59 H new ATOM 0 HD12 LEU B 412 24.842 3.493 0.205 1.00 2.59 H new ATOM 0 HD13 LEU B 412 24.256 1.931 -0.417 1.00 2.59 H new ATOM 0 HD21 LEU B 412 21.292 2.511 0.193 1.00 1.91 H new ATOM 0 HD22 LEU B 412 22.086 0.963 0.568 1.00 1.91 H new ATOM 0 HD23 LEU B 412 21.262 1.874 1.855 1.00 1.91 H new ATOM 998 N LYS B 413 25.415 -0.049 4.141 1.00 3.06 N ATOM 999 CA LYS B 413 26.619 -0.759 4.553 1.00 3.74 C ATOM 1000 C LYS B 413 26.402 -2.263 4.653 1.00 4.32 C ATOM 1001 O LYS B 413 27.321 -3.042 4.406 1.00 4.89 O ATOM 1002 CB LYS B 413 27.182 -0.192 5.859 1.00 3.88 C ATOM 1003 CG LYS B 413 27.738 1.218 5.727 1.00 4.07 C ATOM 1004 CD LYS B 413 28.449 1.667 6.994 1.00 4.54 C ATOM 1005 CE LYS B 413 29.950 1.437 6.900 1.00 4.92 C ATOM 1006 NZ LYS B 413 30.330 0.049 7.277 1.00 5.52 N ATOM 0 H LYS B 413 25.075 0.636 4.816 1.00 3.06 H new ATOM 0 HA LYS B 413 27.360 -0.599 3.769 1.00 3.74 H new ATOM 0 HB2 LYS B 413 26.395 -0.193 6.614 1.00 3.88 H new ATOM 0 HB3 LYS B 413 27.971 -0.851 6.220 1.00 3.88 H new ATOM 0 HG2 LYS B 413 28.432 1.258 4.888 1.00 4.07 H new ATOM 0 HG3 LYS B 413 26.926 1.909 5.502 1.00 4.07 H new ATOM 0 HD2 LYS B 413 28.252 2.725 7.168 1.00 4.54 H new ATOM 0 HD3 LYS B 413 28.049 1.123 7.850 1.00 4.54 H new ATOM 0 HE2 LYS B 413 30.284 1.640 5.882 1.00 4.92 H new ATOM 0 HE3 LYS B 413 30.466 2.143 7.551 1.00 4.92 H new ATOM 0 HZ1 LYS B 413 31.350 0.011 7.479 1.00 5.52 H new ATOM 0 HZ2 LYS B 413 29.799 -0.239 8.123 1.00 5.52 H new ATOM 0 HZ3 LYS B 413 30.108 -0.597 6.493 1.00 5.52 H new ATOM 1011 N GLN B 414 25.190 -2.680 5.003 1.00 4.21 N ATOM 1012 CA GLN B 414 24.891 -4.102 5.127 1.00 4.78 C ATOM 1013 C GLN B 414 24.438 -4.745 3.811 1.00 4.92 C ATOM 1014 O GLN B 414 24.487 -5.962 3.673 1.00 5.53 O ATOM 1015 CB GLN B 414 23.907 -4.390 6.273 1.00 4.74 C ATOM 1016 CG GLN B 414 22.472 -3.952 6.015 1.00 4.08 C ATOM 1017 CD GLN B 414 21.563 -4.195 7.200 1.00 4.14 C ATOM 1018 OE1 GLN B 414 21.004 -5.277 7.349 1.00 4.65 O ATOM 1019 NE2 GLN B 414 21.400 -3.185 8.044 1.00 3.75 N ATOM 0 H GLN B 414 24.405 -2.060 5.204 1.00 4.21 H new ATOM 0 HA GLN B 414 25.837 -4.579 5.384 1.00 4.78 H new ATOM 0 HB2 GLN B 414 23.913 -5.461 6.476 1.00 4.74 H new ATOM 0 HB3 GLN B 414 24.266 -3.893 7.174 1.00 4.74 H new ATOM 0 HG2 GLN B 414 22.460 -2.891 5.765 1.00 4.08 H new ATOM 0 HG3 GLN B 414 22.083 -4.488 5.149 1.00 4.08 H new ATOM 0 HE21 GLN B 414 21.884 -2.302 7.882 1.00 3.75 H new ATOM 0 HE22 GLN B 414 20.790 -3.291 8.855 1.00 3.75 H new ATOM 1023 N THR B 415 23.999 -3.946 2.843 1.00 4.44 N ATOM 1024 CA THR B 415 23.528 -4.499 1.570 1.00 4.71 C ATOM 1025 C THR B 415 24.516 -4.233 0.437 1.00 4.98 C ATOM 1026 O THR B 415 24.257 -4.585 -0.719 1.00 5.42 O ATOM 1027 CB THR B 415 22.134 -3.960 1.183 1.00 4.25 C ATOM 1028 OG1 THR B 415 22.144 -2.532 1.230 1.00 3.65 O ATOM 1029 CG2 THR B 415 21.069 -4.473 2.145 1.00 4.18 C ATOM 0 H THR B 415 23.958 -2.929 2.909 1.00 4.44 H new ATOM 0 HA THR B 415 23.450 -5.576 1.719 1.00 4.71 H new ATOM 0 HB THR B 415 21.901 -4.305 0.176 1.00 4.25 H new ATOM 0 HG1 THR B 415 21.919 -2.233 2.136 1.00 3.65 H new ATOM 0 HG21 THR B 415 20.095 -4.080 1.853 1.00 4.18 H new ATOM 0 HG22 THR B 415 21.045 -5.562 2.114 1.00 4.18 H new ATOM 0 HG23 THR B 415 21.304 -4.144 3.157 1.00 4.18 H new ATOM 1032 N ASN B 416 25.649 -3.637 0.785 1.00 4.78 N ATOM 1033 CA ASN B 416 26.691 -3.306 -0.180 1.00 5.04 C ATOM 1034 C ASN B 416 26.226 -2.211 -1.143 1.00 4.88 C ATOM 1035 O ASN B 416 26.277 -2.379 -2.358 1.00 5.36 O ATOM 1036 CB ASN B 416 27.233 -4.541 -0.926 1.00 5.82 C ATOM 1037 CG ASN B 416 28.579 -4.286 -1.600 1.00 6.05 C ATOM 1038 OD1 ASN B 416 28.641 -4.000 -2.795 1.00 6.10 O ATOM 1039 ND2 ASN B 416 29.666 -4.417 -0.845 1.00 6.37 N ATOM 0 H ASN B 416 25.872 -3.369 1.744 1.00 4.78 H new ATOM 0 HA ASN B 416 27.532 -2.911 0.390 1.00 5.04 H new ATOM 0 HB2 ASN B 416 27.336 -5.368 -0.223 1.00 5.82 H new ATOM 0 HB3 ASN B 416 26.508 -4.851 -1.679 1.00 5.82 H new ATOM 0 HD21 ASN B 416 30.590 -4.279 -1.254 1.00 6.37 H new ATOM 0 HD22 ASN B 416 29.575 -4.655 0.143 1.00 6.37 H new ATOM 1043 N GLY B 417 25.709 -1.120 -0.573 1.00 4.28 N ATOM 1044 CA GLY B 417 25.282 0.044 -1.351 1.00 4.20 C ATOM 1045 C GLY B 417 24.090 -0.137 -2.289 1.00 4.33 C ATOM 1046 O GLY B 417 23.373 0.823 -2.558 1.00 4.27 O ATOM 0 H GLY B 417 25.575 -1.019 0.433 1.00 4.28 H new ATOM 0 HA2 GLY B 417 25.043 0.846 -0.653 1.00 4.20 H new ATOM 0 HA3 GLY B 417 26.131 0.381 -1.946 1.00 4.20 H new ATOM 1048 N ASN B 418 23.850 -1.337 -2.780 1.00 4.60 N ATOM 1049 CA ASN B 418 22.721 -1.556 -3.684 1.00 4.82 C ATOM 1050 C ASN B 418 21.362 -1.185 -3.059 1.00 4.28 C ATOM 1051 O ASN B 418 20.897 -1.805 -2.096 1.00 4.11 O ATOM 1052 CB ASN B 418 22.747 -2.937 -4.371 1.00 5.37 C ATOM 1053 CG ASN B 418 21.834 -3.983 -3.747 1.00 5.77 C ATOM 1054 OD1 ASN B 418 20.647 -4.061 -4.056 1.00 6.25 O ATOM 1055 ND2 ASN B 418 22.396 -4.814 -2.894 1.00 5.93 N ATOM 0 H ASN B 418 24.407 -2.167 -2.577 1.00 4.60 H new ATOM 0 HA ASN B 418 22.852 -0.844 -4.499 1.00 4.82 H new ATOM 0 HB2 ASN B 418 22.468 -2.811 -5.417 1.00 5.37 H new ATOM 0 HB3 ASN B 418 23.770 -3.314 -4.357 1.00 5.37 H new ATOM 0 HD21 ASN B 418 21.843 -5.555 -2.464 1.00 5.93 H new ATOM 0 HD22 ASN B 418 23.385 -4.716 -2.663 1.00 5.93 H new ATOM 1059 N ALA B 419 20.737 -0.148 -3.624 1.00 4.12 N ATOM 1060 CA ALA B 419 19.449 0.355 -3.144 1.00 3.75 C ATOM 1061 C ALA B 419 18.333 -0.678 -3.223 1.00 4.06 C ATOM 1062 O ALA B 419 17.359 -0.604 -2.473 1.00 3.77 O ATOM 1063 CB ALA B 419 19.045 1.620 -3.883 1.00 3.85 C ATOM 0 H ALA B 419 21.109 0.364 -4.424 1.00 4.12 H new ATOM 0 HA ALA B 419 19.594 0.586 -2.089 1.00 3.75 H new ATOM 0 HB1 ALA B 419 18.084 1.971 -3.506 1.00 3.85 H new ATOM 0 HB2 ALA B 419 19.800 2.390 -3.726 1.00 3.85 H new ATOM 0 HB3 ALA B 419 18.960 1.407 -4.949 1.00 3.85 H new ATOM 1065 N GLU B 420 18.468 -1.626 -4.137 1.00 4.71 N ATOM 1066 CA GLU B 420 17.459 -2.667 -4.307 1.00 5.08 C ATOM 1067 C GLU B 420 17.279 -3.461 -3.012 1.00 4.83 C ATOM 1068 O GLU B 420 16.178 -3.545 -2.450 1.00 4.71 O ATOM 1069 CB GLU B 420 17.854 -3.612 -5.444 1.00 5.85 C ATOM 1070 CG GLU B 420 18.672 -2.970 -6.559 1.00 6.48 C ATOM 1071 CD GLU B 420 17.913 -1.905 -7.330 1.00 6.70 C ATOM 1072 OE1 GLU B 420 16.769 -2.171 -7.749 1.00 6.99 O ATOM 1073 OE2 GLU B 420 18.464 -0.801 -7.526 1.00 6.83 O ATOM 0 H GLU B 420 19.263 -1.699 -4.772 1.00 4.71 H new ATOM 0 HA GLU B 420 16.514 -2.186 -4.557 1.00 5.08 H new ATOM 0 HB2 GLU B 420 18.425 -4.441 -5.026 1.00 5.85 H new ATOM 0 HB3 GLU B 420 16.947 -4.035 -5.876 1.00 5.85 H new ATOM 0 HG2 GLU B 420 19.571 -2.526 -6.130 1.00 6.48 H new ATOM 0 HG3 GLU B 420 18.999 -3.745 -7.252 1.00 6.48 H new ATOM 1075 N PHE B 421 18.377 -4.022 -2.522 1.00 4.84 N ATOM 1076 CA PHE B 421 18.348 -4.812 -1.299 1.00 4.75 C ATOM 1077 C PHE B 421 18.224 -3.909 -0.089 1.00 4.08 C ATOM 1078 O PHE B 421 17.653 -4.291 0.930 1.00 3.97 O ATOM 1079 CB PHE B 421 19.592 -5.696 -1.187 1.00 5.16 C ATOM 1080 CG PHE B 421 19.318 -7.083 -0.671 1.00 5.93 C ATOM 1081 CD1 PHE B 421 18.400 -7.902 -1.306 1.00 6.48 C ATOM 1082 CD2 PHE B 421 19.983 -7.569 0.445 1.00 6.29 C ATOM 1083 CE1 PHE B 421 18.150 -9.180 -0.842 1.00 7.24 C ATOM 1084 CE2 PHE B 421 19.738 -8.847 0.915 1.00 7.05 C ATOM 1085 CZ PHE B 421 18.818 -9.652 0.270 1.00 7.48 C ATOM 0 H PHE B 421 19.298 -3.944 -2.953 1.00 4.84 H new ATOM 0 HA PHE B 421 17.475 -5.464 -1.336 1.00 4.75 H new ATOM 0 HB2 PHE B 421 20.060 -5.771 -2.168 1.00 5.16 H new ATOM 0 HB3 PHE B 421 20.311 -5.210 -0.527 1.00 5.16 H new ATOM 0 HD1 PHE B 421 17.872 -7.538 -2.175 1.00 6.48 H new ATOM 0 HD2 PHE B 421 20.701 -6.942 0.953 1.00 6.29 H new ATOM 0 HE1 PHE B 421 17.433 -9.808 -1.349 1.00 7.24 H new ATOM 0 HE2 PHE B 421 20.264 -9.215 1.784 1.00 7.05 H new ATOM 0 HZ PHE B 421 18.622 -10.649 0.636 1.00 7.48 H new ATOM 1087 N ALA B 422 18.760 -2.700 -0.215 1.00 3.68 N ATOM 1088 CA ALA B 422 18.706 -1.717 0.854 1.00 3.05 C ATOM 1089 C ALA B 422 17.258 -1.389 1.194 1.00 2.89 C ATOM 1090 O ALA B 422 16.869 -1.396 2.360 1.00 2.68 O ATOM 1091 CB ALA B 422 19.452 -0.459 0.458 1.00 2.70 C ATOM 0 H ALA B 422 19.240 -2.378 -1.055 1.00 3.68 H new ATOM 0 HA ALA B 422 19.187 -2.138 1.737 1.00 3.05 H new ATOM 0 HB1 ALA B 422 19.401 0.266 1.271 1.00 2.70 H new ATOM 0 HB2 ALA B 422 20.495 -0.703 0.255 1.00 2.70 H new ATOM 0 HB3 ALA B 422 18.998 -0.033 -0.437 1.00 2.70 H new ATOM 1093 N ALA B 423 16.467 -1.112 0.160 1.00 3.18 N ATOM 1094 CA ALA B 423 15.057 -0.798 0.339 1.00 3.30 C ATOM 1095 C ALA B 423 14.330 -1.992 0.939 1.00 3.47 C ATOM 1096 O ALA B 423 13.461 -1.840 1.792 1.00 3.39 O ATOM 1097 CB ALA B 423 14.425 -0.387 -0.978 1.00 3.80 C ATOM 0 H ALA B 423 16.782 -1.099 -0.810 1.00 3.18 H new ATOM 0 HA ALA B 423 14.971 0.043 1.027 1.00 3.30 H new ATOM 0 HB1 ALA B 423 13.371 -0.157 -0.820 1.00 3.80 H new ATOM 0 HB2 ALA B 423 14.934 0.495 -1.367 1.00 3.80 H new ATOM 0 HB3 ALA B 423 14.515 -1.203 -1.695 1.00 3.80 H new ATOM 1099 N SER B 424 14.705 -3.189 0.493 1.00 3.82 N ATOM 1100 CA SER B 424 14.106 -4.410 1.009 1.00 4.07 C ATOM 1101 C SER B 424 14.429 -4.586 2.497 1.00 3.77 C ATOM 1102 O SER B 424 13.631 -5.138 3.260 1.00 3.86 O ATOM 1103 CB SER B 424 14.599 -5.623 0.215 1.00 4.64 C ATOM 1104 OG SER B 424 14.219 -5.536 -1.149 1.00 5.05 O ATOM 0 H SER B 424 15.418 -3.336 -0.222 1.00 3.82 H new ATOM 0 HA SER B 424 13.025 -4.333 0.897 1.00 4.07 H new ATOM 0 HB2 SER B 424 15.684 -5.692 0.289 1.00 4.64 H new ATOM 0 HB3 SER B 424 14.192 -6.535 0.651 1.00 4.64 H new ATOM 0 HG SER B 424 14.812 -4.910 -1.615 1.00 5.05 H new ATOM 1107 N LEU B 425 15.603 -4.098 2.901 1.00 3.53 N ATOM 1108 CA LEU B 425 16.057 -4.202 4.282 1.00 3.45 C ATOM 1109 C LEU B 425 15.466 -3.117 5.187 1.00 3.11 C ATOM 1110 O LEU B 425 14.963 -3.410 6.268 1.00 3.29 O ATOM 1111 CB LEU B 425 17.585 -4.181 4.352 1.00 3.52 C ATOM 1112 CG LEU B 425 18.264 -5.506 4.712 1.00 4.00 C ATOM 1113 CD1 LEU B 425 17.842 -5.964 6.099 1.00 4.24 C ATOM 1114 CD2 LEU B 425 17.965 -6.576 3.672 1.00 4.36 C ATOM 0 H LEU B 425 16.260 -3.623 2.282 1.00 3.53 H new ATOM 0 HA LEU B 425 15.694 -5.159 4.657 1.00 3.45 H new ATOM 0 HB2 LEU B 425 17.968 -3.851 3.386 1.00 3.52 H new ATOM 0 HB3 LEU B 425 17.884 -3.432 5.086 1.00 3.52 H new ATOM 0 HG LEU B 425 19.342 -5.342 4.719 1.00 4.00 H new ATOM 0 HD11 LEU B 425 18.335 -6.907 6.336 1.00 4.24 H new ATOM 0 HD12 LEU B 425 18.127 -5.211 6.833 1.00 4.24 H new ATOM 0 HD13 LEU B 425 16.761 -6.103 6.123 1.00 4.24 H new ATOM 0 HD21 LEU B 425 18.460 -7.505 3.954 1.00 4.36 H new ATOM 0 HD22 LEU B 425 16.889 -6.740 3.618 1.00 4.36 H new ATOM 0 HD23 LEU B 425 18.332 -6.250 2.699 1.00 4.36 H new ATOM 1116 N LEU B 426 15.533 -1.864 4.754 1.00 2.78 N ATOM 1117 CA LEU B 426 15.007 -0.758 5.552 1.00 2.68 C ATOM 1118 C LEU B 426 13.493 -0.842 5.755 1.00 2.99 C ATOM 1119 O LEU B 426 12.973 -0.445 6.800 1.00 3.21 O ATOM 1120 CB LEU B 426 15.448 0.618 5.028 1.00 2.42 C ATOM 1121 CG LEU B 426 15.208 0.927 3.548 1.00 2.46 C ATOM 1122 CD1 LEU B 426 13.838 1.550 3.340 1.00 2.92 C ATOM 1123 CD2 LEU B 426 16.297 1.848 3.018 1.00 2.25 C ATOM 0 H LEU B 426 15.943 -1.587 3.862 1.00 2.78 H new ATOM 0 HA LEU B 426 15.456 -0.868 6.539 1.00 2.68 H new ATOM 0 HB2 LEU B 426 14.937 1.380 5.617 1.00 2.42 H new ATOM 0 HB3 LEU B 426 16.515 0.725 5.224 1.00 2.42 H new ATOM 0 HG LEU B 426 15.242 -0.011 2.993 1.00 2.46 H new ATOM 0 HD11 LEU B 426 13.691 1.760 2.281 1.00 2.92 H new ATOM 0 HD12 LEU B 426 13.068 0.859 3.683 1.00 2.92 H new ATOM 0 HD13 LEU B 426 13.771 2.478 3.907 1.00 2.92 H new ATOM 0 HD21 LEU B 426 16.114 2.059 1.965 1.00 2.25 H new ATOM 0 HD22 LEU B 426 16.291 2.781 3.582 1.00 2.25 H new ATOM 0 HD23 LEU B 426 17.268 1.364 3.128 1.00 2.25 H new ATOM 1125 N PHE B 427 12.799 -1.369 4.748 1.00 3.14 N ATOM 1126 CA PHE B 427 11.344 -1.497 4.786 1.00 3.51 C ATOM 1127 C PHE B 427 10.839 -2.534 5.792 1.00 3.71 C ATOM 1128 O PHE B 427 9.634 -2.728 5.919 1.00 4.05 O ATOM 1129 CB PHE B 427 10.804 -1.824 3.390 1.00 3.71 C ATOM 1130 CG PHE B 427 9.950 -0.746 2.788 1.00 4.11 C ATOM 1131 CD1 PHE B 427 10.442 0.536 2.618 1.00 4.42 C ATOM 1132 CD2 PHE B 427 8.654 -1.019 2.383 1.00 4.51 C ATOM 1133 CE1 PHE B 427 9.659 1.528 2.058 1.00 4.99 C ATOM 1134 CE2 PHE B 427 7.866 -0.034 1.822 1.00 5.08 C ATOM 1135 CZ PHE B 427 8.368 1.240 1.659 1.00 5.27 C ATOM 0 H PHE B 427 13.226 -1.717 3.889 1.00 3.14 H new ATOM 0 HA PHE B 427 10.967 -0.531 5.122 1.00 3.51 H new ATOM 0 HB2 PHE B 427 11.645 -2.019 2.725 1.00 3.71 H new ATOM 0 HB3 PHE B 427 10.222 -2.744 3.445 1.00 3.71 H new ATOM 0 HD1 PHE B 427 11.451 0.765 2.927 1.00 4.42 H new ATOM 0 HD2 PHE B 427 8.255 -2.015 2.508 1.00 4.51 H new ATOM 0 HE1 PHE B 427 10.055 2.525 1.933 1.00 4.99 H new ATOM 0 HE2 PHE B 427 6.857 -0.261 1.511 1.00 5.08 H new ATOM 0 HZ PHE B 427 7.753 2.012 1.220 1.00 5.27 H new ATOM 1137 N GLN B 428 11.738 -3.217 6.495 1.00 3.64 N ATOM 1138 CA GLN B 428 11.310 -4.212 7.477 1.00 3.99 C ATOM 1139 C GLN B 428 11.662 -3.812 8.903 1.00 4.10 C ATOM 1140 O GLN B 428 11.768 -4.662 9.787 1.00 4.43 O ATOM 1141 CB GLN B 428 11.822 -5.617 7.148 1.00 4.19 C ATOM 1142 CG GLN B 428 13.328 -5.750 7.043 1.00 4.44 C ATOM 1143 CD GLN B 428 13.743 -7.026 6.338 1.00 4.90 C ATOM 1144 OE1 GLN B 428 13.034 -7.532 5.461 1.00 5.19 O ATOM 1145 NE2 GLN B 428 14.888 -7.559 6.716 1.00 5.32 N ATOM 0 H GLN B 428 12.748 -3.105 6.408 1.00 3.64 H new ATOM 0 HA GLN B 428 10.222 -4.245 7.413 1.00 3.99 H new ATOM 0 HB2 GLN B 428 11.466 -6.304 7.915 1.00 4.19 H new ATOM 0 HB3 GLN B 428 11.379 -5.935 6.204 1.00 4.19 H new ATOM 0 HG2 GLN B 428 13.730 -4.892 6.504 1.00 4.44 H new ATOM 0 HG3 GLN B 428 13.763 -5.731 8.042 1.00 4.44 H new ATOM 0 HE21 GLN B 428 15.444 -7.110 7.444 1.00 5.32 H new ATOM 0 HE22 GLN B 428 15.218 -8.420 6.281 1.00 5.32 H new ATOM 1149 N SER B 429 11.831 -2.519 9.126 1.00 4.02 N ATOM 1150 CA SER B 429 12.159 -2.014 10.447 1.00 4.40 C ATOM 1151 C SER B 429 11.142 -0.961 10.879 1.00 4.72 C ATOM 1152 O SER B 429 11.231 0.189 10.398 1.00 4.87 O ATOM 1153 CB SER B 429 13.580 -1.443 10.468 1.00 4.47 C ATOM 1154 OG SER B 429 14.504 -2.363 9.905 1.00 4.46 O ATOM 1155 OXT SER B 429 10.243 -1.295 11.683 1.00 5.11 O ATOM 0 H SER B 429 11.746 -1.800 8.408 1.00 4.02 H new ATOM 0 HA SER B 429 12.118 -2.841 11.156 1.00 4.40 H new ATOM 0 HB2 SER B 429 13.608 -0.506 9.911 1.00 4.47 H new ATOM 0 HB3 SER B 429 13.869 -1.213 11.494 1.00 4.47 H new ATOM 0 HG SER B 429 15.405 -1.977 9.927 1.00 4.46 H new TER 1158 SER B 429