USER MOD reduce.3.24.130724 H: found=0, std=0, add=1068, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1063 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 15 ASN : amide:sc= -0.0732 X(o=-0.073,f=-0.43) USER MOD Set 1.2: A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 69 THR OG1 : rot -100:sc= -5.62! USER MOD Set 2.2: A 72 GLN : amide:sc= -4.24! C(o=-9.9!,f=-18!) USER MOD Set 3.1: A 39 THR OG1 : rot 140:sc= -0.231 USER MOD Set 3.2: A 40 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 1 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.0018) USER MOD Single : A 1 HIS N :NH3+ 179:sc= 0 (180deg=-0.000323) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -3.52! C(o=-3.5!,f=-4.9!) USER MOD Single : A 12 LYS NZ :NH3+ 152:sc= -0.0491 (180deg=-0.786) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 82:sc= 0.756 USER MOD Single : A 20 GLN : amide:sc= -5.89! C(o=-5.9!,f=-13!) USER MOD Single : A 21 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.266) USER MOD Single : A 22 THR OG1 : rot 80:sc= -2.16! USER MOD Single : A 25 THR OG1 : rot 160:sc= -5.8! USER MOD Single : A 28 THR OG1 : rot -100:sc= -0.443! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -1.32! C(o=-1.3!,f=-9.7!) USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= -0.0117 (180deg=-0.362) USER MOD Single : A 44 THR OG1 : rot 170:sc= -0.344 USER MOD Single : A 50 THR OG1 : rot -60:sc= -1.85! USER MOD Single : A 54 GLN : amide:sc= -6.96! C(o=-7!,f=-8.7!) USER MOD Single : A 56 TYR OH : rot 130:sc= -1.16! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 59 HIS : no HD1:sc= -6.91! C(o=-6.9!,f=-5.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0186 USER MOD Single : A 71 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.44) USER MOD Single : A 74 HIS : no HD1:sc= -0.355 X(o=-0.36,f=-0.66) USER MOD Single : A 76 HIS : no HE2:sc= -1.62! C(o=-1.6!,f=-3.2!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.409 K(o=-0.41,f=-1.8!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -13.9! C(o=-14!,f=-15!) USER MOD Single : A 97 ASN : amide:sc= -0.764 K(o=-0.76,f=-2.1!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.335 X(o=-0.33,f=-0.025) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.0821 K(o=0.082,f=-3.9!) USER MOD Single : A 118 THR OG1 : rot -23:sc= -1.73 USER MOD Single : A 120 MET CE :methyl -113:sc= -0.441 (180deg=-3.84!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.341) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot -13:sc= 0.274 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 14.515 -3.797 -30.330 1.00 0.00 N ATOM 2 CA HIS A 1 15.820 -3.275 -29.837 1.00 0.00 C ATOM 3 C HIS A 1 15.983 -1.817 -30.273 1.00 0.00 C ATOM 4 O HIS A 1 17.019 -1.419 -30.767 1.00 0.00 O ATOM 5 CB HIS A 1 16.958 -4.113 -30.423 1.00 0.00 C ATOM 6 CG HIS A 1 17.000 -5.451 -29.736 1.00 0.00 C ATOM 7 ND1 HIS A 1 17.738 -6.514 -30.232 1.00 0.00 N ATOM 8 CD2 HIS A 1 16.400 -5.913 -28.590 1.00 0.00 C ATOM 9 CE1 HIS A 1 17.565 -7.553 -29.394 1.00 0.00 C ATOM 10 NE2 HIS A 1 16.758 -7.240 -28.376 1.00 0.00 N ATOM 0 H1 HIS A 1 14.411 -4.793 -30.049 1.00 0.00 H new ATOM 0 H2 HIS A 1 13.740 -3.238 -29.919 1.00 0.00 H new ATOM 0 H3 HIS A 1 14.482 -3.725 -31.367 1.00 0.00 H new ATOM 0 HA HIS A 1 15.848 -3.334 -28.749 1.00 0.00 H new ATOM 0 HB2 HIS A 1 16.811 -4.247 -31.495 1.00 0.00 H new ATOM 0 HB3 HIS A 1 17.909 -3.596 -30.294 1.00 0.00 H new ATOM 0 HD2 HIS A 1 15.749 -5.334 -27.952 1.00 0.00 H new ATOM 0 HE1 HIS A 1 18.023 -8.522 -29.528 1.00 0.00 H new ATOM 0 HE2 HIS A 1 16.467 -7.844 -27.607 1.00 0.00 H new ATOM 20 N LYS A 2 14.967 -1.017 -30.094 1.00 0.00 N ATOM 21 CA LYS A 2 15.066 0.413 -30.498 1.00 0.00 C ATOM 22 C LYS A 2 15.169 1.290 -29.247 1.00 0.00 C ATOM 23 O LYS A 2 14.798 0.888 -28.163 1.00 0.00 O ATOM 24 CB LYS A 2 13.820 0.806 -31.293 1.00 0.00 C ATOM 25 CG LYS A 2 14.242 1.442 -32.620 1.00 0.00 C ATOM 26 CD LYS A 2 13.100 1.321 -33.631 1.00 0.00 C ATOM 27 CE LYS A 2 13.408 2.183 -34.856 1.00 0.00 C ATOM 28 NZ LYS A 2 12.648 3.462 -34.767 1.00 0.00 N ATOM 0 H LYS A 2 14.074 -1.292 -29.686 1.00 0.00 H new ATOM 0 HA LYS A 2 15.952 0.555 -31.117 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.202 -0.072 -31.479 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.214 1.506 -30.718 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.497 2.491 -32.468 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.135 0.949 -33.004 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.973 0.280 -33.929 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.162 1.639 -33.176 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.477 2.386 -34.911 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.137 1.649 -35.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.857 4.049 -35.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.629 3.259 -34.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.927 3.973 -33.905 1.00 0.00 H new ATOM 42 N CYS A 3 15.672 2.486 -29.390 1.00 0.00 N ATOM 43 CA CYS A 3 15.801 3.386 -28.216 1.00 0.00 C ATOM 44 C CYS A 3 14.851 4.573 -28.375 1.00 0.00 C ATOM 45 O CYS A 3 14.566 5.007 -29.474 1.00 0.00 O ATOM 46 CB CYS A 3 17.231 3.892 -28.128 1.00 0.00 C ATOM 47 SG CYS A 3 18.019 3.222 -26.644 1.00 0.00 S ATOM 0 H CYS A 3 15.999 2.877 -30.273 1.00 0.00 H new ATOM 0 HA CYS A 3 15.548 2.839 -27.307 1.00 0.00 H new ATOM 0 HB2 CYS A 3 17.789 3.593 -29.015 1.00 0.00 H new ATOM 0 HB3 CYS A 3 17.241 4.982 -28.097 1.00 0.00 H new ATOM 52 N ASP A 4 14.356 5.103 -27.289 1.00 0.00 N ATOM 53 CA ASP A 4 13.425 6.257 -27.388 1.00 0.00 C ATOM 54 C ASP A 4 14.043 7.481 -26.708 1.00 0.00 C ATOM 55 O ASP A 4 14.974 7.376 -25.935 1.00 0.00 O ATOM 56 CB ASP A 4 12.112 5.908 -26.695 1.00 0.00 C ATOM 57 CG ASP A 4 10.949 6.573 -27.437 1.00 0.00 C ATOM 58 OD1 ASP A 4 10.599 6.088 -28.502 1.00 0.00 O ATOM 59 OD2 ASP A 4 10.432 7.553 -26.931 1.00 0.00 O ATOM 0 H ASP A 4 14.557 4.786 -26.341 1.00 0.00 H new ATOM 0 HA ASP A 4 13.241 6.481 -28.439 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.975 4.827 -26.677 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.135 6.244 -25.658 1.00 0.00 H new ATOM 64 N ILE A 5 13.522 8.638 -26.995 1.00 0.00 N ATOM 65 CA ILE A 5 14.056 9.887 -26.382 1.00 0.00 C ATOM 66 C ILE A 5 13.699 9.936 -24.892 1.00 0.00 C ATOM 67 O ILE A 5 14.394 10.532 -24.097 1.00 0.00 O ATOM 68 CB ILE A 5 13.436 11.088 -27.092 1.00 0.00 C ATOM 69 CG1 ILE A 5 13.832 11.064 -28.569 1.00 0.00 C ATOM 70 CG2 ILE A 5 13.939 12.382 -26.448 1.00 0.00 C ATOM 71 CD1 ILE A 5 12.744 10.352 -29.374 1.00 0.00 C ATOM 0 H ILE A 5 12.740 8.775 -27.635 1.00 0.00 H new ATOM 0 HA ILE A 5 15.141 9.908 -26.486 1.00 0.00 H new ATOM 0 HB ILE A 5 12.351 11.041 -27.005 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.966 12.081 -28.938 1.00 0.00 H new ATOM 0 HG13 ILE A 5 14.786 10.552 -28.693 1.00 0.00 H new ATOM 0 HG21 ILE A 5 13.495 13.238 -26.956 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.656 12.398 -25.395 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.025 12.433 -26.533 1.00 0.00 H new ATOM 0 HD11 ILE A 5 13.024 10.334 -30.427 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.632 9.331 -29.010 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.799 10.884 -29.259 1.00 0.00 H new ATOM 83 N THR A 6 12.609 9.334 -24.513 1.00 0.00 N ATOM 84 CA THR A 6 12.191 9.363 -23.084 1.00 0.00 C ATOM 85 C THR A 6 13.347 8.950 -22.173 1.00 0.00 C ATOM 86 O THR A 6 13.597 9.574 -21.162 1.00 0.00 O ATOM 87 CB THR A 6 11.016 8.403 -22.883 1.00 0.00 C ATOM 88 OG1 THR A 6 9.858 8.936 -23.511 1.00 0.00 O ATOM 89 CG2 THR A 6 10.750 8.221 -21.388 1.00 0.00 C ATOM 0 H THR A 6 11.985 8.820 -25.135 1.00 0.00 H new ATOM 0 HA THR A 6 11.893 10.379 -22.826 1.00 0.00 H new ATOM 0 HB THR A 6 11.258 7.437 -23.325 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.105 8.321 -23.385 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.913 7.537 -21.248 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.638 7.811 -20.908 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.509 9.186 -20.941 1.00 0.00 H new ATOM 97 N LEU A 7 14.029 7.888 -22.490 1.00 0.00 N ATOM 98 CA LEU A 7 15.119 7.429 -21.617 1.00 0.00 C ATOM 99 C LEU A 7 16.315 8.388 -21.674 1.00 0.00 C ATOM 100 O LEU A 7 16.823 8.792 -20.646 1.00 0.00 O ATOM 101 CB LEU A 7 15.544 6.015 -22.019 1.00 0.00 C ATOM 102 CG LEU A 7 14.379 5.185 -22.602 1.00 0.00 C ATOM 103 CD1 LEU A 7 13.031 5.600 -22.007 1.00 0.00 C ATOM 104 CD2 LEU A 7 14.336 5.343 -24.118 1.00 0.00 C ATOM 0 H LEU A 7 13.871 7.321 -23.323 1.00 0.00 H new ATOM 0 HA LEU A 7 14.756 7.414 -20.589 1.00 0.00 H new ATOM 0 HB2 LEU A 7 16.345 6.077 -22.756 1.00 0.00 H new ATOM 0 HB3 LEU A 7 15.951 5.501 -21.148 1.00 0.00 H new ATOM 0 HG LEU A 7 14.556 4.142 -22.341 1.00 0.00 H new ATOM 0 HD11 LEU A 7 12.238 4.992 -22.443 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.049 5.452 -20.927 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.845 6.651 -22.226 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.512 4.755 -24.522 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.190 6.393 -24.370 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.275 4.994 -24.547 1.00 0.00 H new ATOM 116 N GLN A 8 16.783 8.772 -22.835 1.00 0.00 N ATOM 117 CA GLN A 8 17.940 9.707 -22.853 1.00 0.00 C ATOM 118 C GLN A 8 17.583 10.925 -22.013 1.00 0.00 C ATOM 119 O GLN A 8 18.423 11.562 -21.411 1.00 0.00 O ATOM 120 CB GLN A 8 18.258 10.129 -24.289 1.00 0.00 C ATOM 121 CG GLN A 8 16.958 10.446 -25.026 1.00 0.00 C ATOM 122 CD GLN A 8 17.275 11.136 -26.354 1.00 0.00 C ATOM 123 OE1 GLN A 8 17.051 12.320 -26.506 1.00 0.00 O ATOM 124 NE2 GLN A 8 17.791 10.439 -27.330 1.00 0.00 N ATOM 0 H GLN A 8 16.424 8.486 -23.746 1.00 0.00 H new ATOM 0 HA GLN A 8 18.822 9.216 -22.442 1.00 0.00 H new ATOM 0 HB2 GLN A 8 18.910 11.003 -24.287 1.00 0.00 H new ATOM 0 HB3 GLN A 8 18.795 9.332 -24.803 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.398 9.529 -25.206 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.328 11.089 -24.412 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.979 9.445 -27.203 1.00 0.00 H new ATOM 0 HE22 GLN A 8 18.006 10.889 -28.220 1.00 0.00 H new ATOM 133 N GLU A 9 16.327 11.232 -21.973 1.00 0.00 N ATOM 134 CA GLU A 9 15.849 12.394 -21.176 1.00 0.00 C ATOM 135 C GLU A 9 15.957 12.082 -19.679 1.00 0.00 C ATOM 136 O GLU A 9 16.431 12.888 -18.903 1.00 0.00 O ATOM 137 CB GLU A 9 14.390 12.689 -21.529 1.00 0.00 C ATOM 138 CG GLU A 9 14.337 13.591 -22.764 1.00 0.00 C ATOM 139 CD GLU A 9 12.960 13.477 -23.422 1.00 0.00 C ATOM 140 OE1 GLU A 9 12.100 12.836 -22.841 1.00 0.00 O ATOM 141 OE2 GLU A 9 12.790 14.034 -24.494 1.00 0.00 O ATOM 0 H GLU A 9 15.594 10.721 -22.466 1.00 0.00 H new ATOM 0 HA GLU A 9 16.466 13.263 -21.407 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.856 11.759 -21.722 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.892 13.174 -20.689 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.532 14.625 -22.480 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.115 13.303 -23.471 1.00 0.00 H new ATOM 148 N ILE A 10 15.508 10.924 -19.262 1.00 0.00 N ATOM 149 CA ILE A 10 15.574 10.579 -17.815 1.00 0.00 C ATOM 150 C ILE A 10 17.021 10.699 -17.332 1.00 0.00 C ATOM 151 O ILE A 10 17.292 11.333 -16.339 1.00 0.00 O ATOM 152 CB ILE A 10 15.044 9.146 -17.611 1.00 0.00 C ATOM 153 CG1 ILE A 10 13.550 9.203 -17.277 1.00 0.00 C ATOM 154 CG2 ILE A 10 15.780 8.451 -16.457 1.00 0.00 C ATOM 155 CD1 ILE A 10 12.768 9.754 -18.472 1.00 0.00 C ATOM 0 H ILE A 10 15.100 10.207 -19.862 1.00 0.00 H new ATOM 0 HA ILE A 10 14.957 11.265 -17.235 1.00 0.00 H new ATOM 0 HB ILE A 10 15.211 8.582 -18.529 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.187 8.207 -17.022 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.388 9.834 -16.403 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.389 7.441 -16.332 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.845 8.402 -16.682 1.00 0.00 H new ATOM 0 HG23 ILE A 10 15.629 9.015 -15.537 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.707 9.791 -18.226 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.122 10.758 -18.707 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.918 9.106 -19.335 1.00 0.00 H new ATOM 167 N ILE A 11 17.951 10.101 -18.019 1.00 0.00 N ATOM 168 CA ILE A 11 19.367 10.204 -17.572 1.00 0.00 C ATOM 169 C ILE A 11 19.744 11.682 -17.466 1.00 0.00 C ATOM 170 O ILE A 11 20.507 12.079 -16.607 1.00 0.00 O ATOM 171 CB ILE A 11 20.280 9.501 -18.581 1.00 0.00 C ATOM 172 CG1 ILE A 11 20.171 7.985 -18.395 1.00 0.00 C ATOM 173 CG2 ILE A 11 21.731 9.934 -18.358 1.00 0.00 C ATOM 174 CD1 ILE A 11 20.446 7.287 -19.727 1.00 0.00 C ATOM 0 H ILE A 11 17.795 9.550 -18.863 1.00 0.00 H new ATOM 0 HA ILE A 11 19.486 9.725 -16.600 1.00 0.00 H new ATOM 0 HB ILE A 11 19.974 9.772 -19.591 1.00 0.00 H new ATOM 0 HG12 ILE A 11 20.883 7.648 -17.642 1.00 0.00 H new ATOM 0 HG13 ILE A 11 19.177 7.723 -18.033 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.376 9.431 -19.079 1.00 0.00 H new ATOM 0 HG22 ILE A 11 21.813 11.013 -18.489 1.00 0.00 H new ATOM 0 HG23 ILE A 11 22.039 9.667 -17.347 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.369 6.208 -19.595 1.00 0.00 H new ATOM 0 HD12 ILE A 11 19.716 7.615 -20.467 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.449 7.539 -20.070 1.00 0.00 H new ATOM 186 N LYS A 12 19.207 12.499 -18.326 1.00 0.00 N ATOM 187 CA LYS A 12 19.528 13.952 -18.269 1.00 0.00 C ATOM 188 C LYS A 12 19.078 14.516 -16.919 1.00 0.00 C ATOM 189 O LYS A 12 19.768 15.304 -16.304 1.00 0.00 O ATOM 190 CB LYS A 12 18.796 14.680 -19.397 1.00 0.00 C ATOM 191 CG LYS A 12 19.810 15.151 -20.442 1.00 0.00 C ATOM 192 CD LYS A 12 19.867 16.679 -20.444 1.00 0.00 C ATOM 193 CE LYS A 12 21.281 17.137 -20.811 1.00 0.00 C ATOM 194 NZ LYS A 12 21.772 16.347 -21.975 1.00 0.00 N ATOM 0 H LYS A 12 18.560 12.225 -19.066 1.00 0.00 H new ATOM 0 HA LYS A 12 20.602 14.095 -18.384 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.064 14.016 -19.858 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.246 15.532 -18.998 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.795 14.740 -20.220 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.527 14.786 -21.429 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.147 17.079 -21.158 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.592 17.065 -19.463 1.00 0.00 H new ATOM 0 HE2 LYS A 12 21.279 18.200 -21.054 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.950 17.005 -19.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 22.457 16.913 -22.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 22.232 15.478 -21.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 20.970 16.098 -22.588 1.00 0.00 H new ATOM 208 N THR A 13 17.922 14.121 -16.451 1.00 0.00 N ATOM 209 CA THR A 13 17.433 14.640 -15.143 1.00 0.00 C ATOM 210 C THR A 13 18.275 14.058 -14.007 1.00 0.00 C ATOM 211 O THR A 13 18.758 14.773 -13.153 1.00 0.00 O ATOM 212 CB THR A 13 15.967 14.242 -14.949 1.00 0.00 C ATOM 213 OG1 THR A 13 15.154 14.986 -15.846 1.00 0.00 O ATOM 214 CG2 THR A 13 15.546 14.539 -13.508 1.00 0.00 C ATOM 0 H THR A 13 17.298 13.463 -16.918 1.00 0.00 H new ATOM 0 HA THR A 13 17.519 15.727 -15.134 1.00 0.00 H new ATOM 0 HB THR A 13 15.847 13.177 -15.149 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.215 14.731 -15.725 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.503 14.256 -13.368 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.172 13.969 -12.821 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.663 15.604 -13.307 1.00 0.00 H new ATOM 222 N LEU A 14 18.457 12.768 -13.987 1.00 0.00 N ATOM 223 CA LEU A 14 19.266 12.144 -12.908 1.00 0.00 C ATOM 224 C LEU A 14 20.638 12.823 -12.850 1.00 0.00 C ATOM 225 O LEU A 14 21.243 12.941 -11.802 1.00 0.00 O ATOM 226 CB LEU A 14 19.443 10.650 -13.214 1.00 0.00 C ATOM 227 CG LEU A 14 18.156 9.877 -12.881 1.00 0.00 C ATOM 228 CD1 LEU A 14 16.923 10.703 -13.265 1.00 0.00 C ATOM 229 CD2 LEU A 14 18.137 8.560 -13.664 1.00 0.00 C ATOM 0 H LEU A 14 18.078 12.117 -14.675 1.00 0.00 H new ATOM 0 HA LEU A 14 18.762 12.263 -11.949 1.00 0.00 H new ATOM 0 HB2 LEU A 14 19.693 10.515 -14.266 1.00 0.00 H new ATOM 0 HB3 LEU A 14 20.275 10.250 -12.635 1.00 0.00 H new ATOM 0 HG LEU A 14 18.134 9.678 -11.810 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.020 10.143 -13.023 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.927 11.642 -12.711 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.944 10.913 -14.334 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.225 8.010 -13.429 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.168 8.772 -14.733 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.004 7.960 -13.388 1.00 0.00 H new ATOM 241 N ASN A 15 21.130 13.266 -13.973 1.00 0.00 N ATOM 242 CA ASN A 15 22.463 13.935 -14.001 1.00 0.00 C ATOM 243 C ASN A 15 22.377 15.325 -13.334 1.00 0.00 C ATOM 244 O ASN A 15 23.187 15.654 -12.490 1.00 0.00 O ATOM 245 CB ASN A 15 22.909 14.104 -15.454 1.00 0.00 C ATOM 246 CG ASN A 15 24.210 14.906 -15.499 1.00 0.00 C ATOM 247 OD1 ASN A 15 24.189 16.121 -15.524 1.00 0.00 O ATOM 248 ND2 ASN A 15 25.353 14.274 -15.510 1.00 0.00 N ATOM 0 H ASN A 15 20.665 13.194 -14.878 1.00 0.00 H new ATOM 0 HA ASN A 15 23.181 13.322 -13.456 1.00 0.00 H new ATOM 0 HB2 ASN A 15 23.055 13.128 -15.916 1.00 0.00 H new ATOM 0 HB3 ASN A 15 22.135 14.615 -16.026 1.00 0.00 H new ATOM 0 HD21 ASN A 15 26.226 14.800 -15.540 1.00 0.00 H new ATOM 0 HD22 ASN A 15 25.372 13.254 -15.489 1.00 0.00 H new ATOM 255 N SER A 16 21.420 16.162 -13.710 1.00 0.00 N ATOM 256 CA SER A 16 21.344 17.518 -13.090 1.00 0.00 C ATOM 257 C SER A 16 21.087 17.403 -11.585 1.00 0.00 C ATOM 258 O SER A 16 21.776 18.003 -10.784 1.00 0.00 O ATOM 259 CB SER A 16 20.207 18.308 -13.738 1.00 0.00 C ATOM 260 OG SER A 16 20.365 18.295 -15.149 1.00 0.00 O ATOM 0 H SER A 16 20.705 15.959 -14.408 1.00 0.00 H new ATOM 0 HA SER A 16 22.292 18.032 -13.248 1.00 0.00 H new ATOM 0 HB2 SER A 16 19.246 17.872 -13.465 1.00 0.00 H new ATOM 0 HB3 SER A 16 20.208 19.334 -13.371 1.00 0.00 H new ATOM 0 HG SER A 16 19.635 18.800 -15.565 1.00 0.00 H new ATOM 266 N LEU A 17 20.102 16.646 -11.193 1.00 0.00 N ATOM 267 CA LEU A 17 19.806 16.509 -9.739 1.00 0.00 C ATOM 268 C LEU A 17 21.092 16.148 -8.987 1.00 0.00 C ATOM 269 O LEU A 17 21.264 16.493 -7.835 1.00 0.00 O ATOM 270 CB LEU A 17 18.756 15.409 -9.531 1.00 0.00 C ATOM 271 CG LEU A 17 18.229 15.453 -8.091 1.00 0.00 C ATOM 272 CD1 LEU A 17 17.836 16.888 -7.735 1.00 0.00 C ATOM 273 CD2 LEU A 17 17.002 14.539 -7.962 1.00 0.00 C ATOM 0 H LEU A 17 19.490 16.117 -11.814 1.00 0.00 H new ATOM 0 HA LEU A 17 19.418 17.453 -9.355 1.00 0.00 H new ATOM 0 HB2 LEU A 17 17.933 15.543 -10.233 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.194 14.433 -9.737 1.00 0.00 H new ATOM 0 HG LEU A 17 19.008 15.109 -7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 17 17.461 16.919 -6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.708 17.536 -7.822 1.00 0.00 H new ATOM 0 HD13 LEU A 17 17.058 17.232 -8.417 1.00 0.00 H new ATOM 0 HD21 LEU A 17 16.630 14.572 -6.938 1.00 0.00 H new ATOM 0 HD22 LEU A 17 16.222 14.879 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 17 17.282 13.516 -8.213 1.00 0.00 H new ATOM 285 N THR A 18 21.999 15.462 -9.629 1.00 0.00 N ATOM 286 CA THR A 18 23.270 15.088 -8.943 1.00 0.00 C ATOM 287 C THR A 18 24.108 16.338 -8.715 1.00 0.00 C ATOM 288 O THR A 18 24.641 16.565 -7.647 1.00 0.00 O ATOM 289 CB THR A 18 24.051 14.097 -9.808 1.00 0.00 C ATOM 290 OG1 THR A 18 23.368 12.851 -9.832 1.00 0.00 O ATOM 291 CG2 THR A 18 25.453 13.903 -9.226 1.00 0.00 C ATOM 0 H THR A 18 21.916 15.145 -10.595 1.00 0.00 H new ATOM 0 HA THR A 18 23.041 14.623 -7.984 1.00 0.00 H new ATOM 0 HB THR A 18 24.133 14.486 -10.823 1.00 0.00 H new ATOM 0 HG1 THR A 18 22.649 12.885 -10.497 1.00 0.00 H new ATOM 0 HG21 THR A 18 26.009 13.197 -9.843 1.00 0.00 H new ATOM 0 HG22 THR A 18 25.976 14.859 -9.209 1.00 0.00 H new ATOM 0 HG23 THR A 18 25.375 13.514 -8.211 1.00 0.00 H new ATOM 299 N GLU A 19 24.214 17.146 -9.713 1.00 0.00 N ATOM 300 CA GLU A 19 25.005 18.402 -9.587 1.00 0.00 C ATOM 301 C GLU A 19 24.557 19.140 -8.335 1.00 0.00 C ATOM 302 O GLU A 19 25.313 19.850 -7.701 1.00 0.00 O ATOM 303 CB GLU A 19 24.781 19.282 -10.817 1.00 0.00 C ATOM 304 CG GLU A 19 26.099 19.443 -11.578 1.00 0.00 C ATOM 305 CD GLU A 19 25.962 18.827 -12.972 1.00 0.00 C ATOM 306 OE1 GLU A 19 25.010 19.161 -13.656 1.00 0.00 O ATOM 307 OE2 GLU A 19 26.814 18.029 -13.331 1.00 0.00 O ATOM 0 H GLU A 19 23.785 16.997 -10.626 1.00 0.00 H new ATOM 0 HA GLU A 19 26.066 18.164 -9.515 1.00 0.00 H new ATOM 0 HB2 GLU A 19 24.027 18.834 -11.465 1.00 0.00 H new ATOM 0 HB3 GLU A 19 24.402 20.258 -10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 19 26.358 20.499 -11.659 1.00 0.00 H new ATOM 0 HG3 GLU A 19 26.908 18.958 -11.032 1.00 0.00 H new ATOM 314 N GLN A 20 23.329 18.957 -7.980 1.00 0.00 N ATOM 315 CA GLN A 20 22.783 19.623 -6.763 1.00 0.00 C ATOM 316 C GLN A 20 22.440 18.557 -5.716 1.00 0.00 C ATOM 317 O GLN A 20 21.462 17.850 -5.827 1.00 0.00 O ATOM 318 CB GLN A 20 21.535 20.430 -7.125 1.00 0.00 C ATOM 319 CG GLN A 20 20.585 19.556 -7.936 1.00 0.00 C ATOM 320 CD GLN A 20 19.209 20.221 -8.010 1.00 0.00 C ATOM 321 OE1 GLN A 20 18.899 21.093 -7.224 1.00 0.00 O ATOM 322 NE2 GLN A 20 18.366 19.841 -8.931 1.00 0.00 N ATOM 0 H GLN A 20 22.664 18.368 -8.482 1.00 0.00 H new ATOM 0 HA GLN A 20 23.529 20.304 -6.353 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.040 20.781 -6.220 1.00 0.00 H new ATOM 0 HB3 GLN A 20 21.814 21.314 -7.699 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.981 19.406 -8.940 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.500 18.571 -7.476 1.00 0.00 H new ATOM 0 HE21 GLN A 20 18.628 19.108 -9.591 1.00 0.00 H new ATOM 0 HE22 GLN A 20 17.446 20.277 -8.991 1.00 0.00 H new ATOM 331 N LYS A 21 23.251 18.431 -4.703 1.00 0.00 N ATOM 332 CA LYS A 21 22.978 17.407 -3.658 1.00 0.00 C ATOM 333 C LYS A 21 23.759 17.756 -2.389 1.00 0.00 C ATOM 334 O LYS A 21 24.691 17.073 -2.014 1.00 0.00 O ATOM 335 CB LYS A 21 23.420 16.035 -4.170 1.00 0.00 C ATOM 336 CG LYS A 21 22.626 14.941 -3.454 1.00 0.00 C ATOM 337 CD LYS A 21 22.395 13.770 -4.408 1.00 0.00 C ATOM 338 CE LYS A 21 23.537 12.762 -4.266 1.00 0.00 C ATOM 339 NZ LYS A 21 24.676 13.180 -5.131 1.00 0.00 N ATOM 0 H LYS A 21 24.090 18.992 -4.554 1.00 0.00 H new ATOM 0 HA LYS A 21 21.912 17.386 -3.433 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.261 15.969 -5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 21 24.487 15.897 -3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 21 23.168 14.603 -2.571 1.00 0.00 H new ATOM 0 HG3 LYS A 21 21.671 15.337 -3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 21 21.442 13.289 -4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 21 22.339 14.130 -5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 21 23.858 12.704 -3.226 1.00 0.00 H new ATOM 0 HE3 LYS A 21 23.196 11.767 -4.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 25.323 12.377 -5.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 24.314 13.492 -6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 25.187 13.964 -4.677 1.00 0.00 H new ATOM 353 N THR A 22 23.385 18.816 -1.727 1.00 0.00 N ATOM 354 CA THR A 22 24.107 19.210 -0.486 1.00 0.00 C ATOM 355 C THR A 22 23.504 18.481 0.716 1.00 0.00 C ATOM 356 O THR A 22 24.000 17.458 1.143 1.00 0.00 O ATOM 357 CB THR A 22 23.978 20.722 -0.280 1.00 0.00 C ATOM 358 OG1 THR A 22 22.944 21.226 -1.113 1.00 0.00 O ATOM 359 CG2 THR A 22 25.303 21.402 -0.636 1.00 0.00 C ATOM 0 H THR A 22 22.611 19.426 -1.992 1.00 0.00 H new ATOM 0 HA THR A 22 25.159 18.941 -0.581 1.00 0.00 H new ATOM 0 HB THR A 22 23.736 20.928 0.763 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.074 21.051 -0.697 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.211 22.478 -0.489 1.00 0.00 H new ATOM 0 HG22 THR A 22 26.095 21.015 0.006 1.00 0.00 H new ATOM 0 HG23 THR A 22 25.548 21.198 -1.678 1.00 0.00 H new ATOM 367 N LEU A 23 22.445 19.003 1.272 1.00 0.00 N ATOM 368 CA LEU A 23 21.824 18.341 2.453 1.00 0.00 C ATOM 369 C LEU A 23 20.343 18.061 2.182 1.00 0.00 C ATOM 370 O LEU A 23 19.520 18.125 3.073 1.00 0.00 O ATOM 371 CB LEU A 23 21.950 19.263 3.663 1.00 0.00 C ATOM 372 CG LEU A 23 23.224 18.917 4.436 1.00 0.00 C ATOM 373 CD1 LEU A 23 24.298 19.966 4.142 1.00 0.00 C ATOM 374 CD2 LEU A 23 22.923 18.903 5.937 1.00 0.00 C ATOM 0 H LEU A 23 21.984 19.858 0.960 1.00 0.00 H new ATOM 0 HA LEU A 23 22.334 17.397 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 23 21.979 20.303 3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 23 21.079 19.154 4.309 1.00 0.00 H new ATOM 0 HG LEU A 23 23.580 17.934 4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.206 19.721 4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 23 24.513 19.977 3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 23 23.941 20.949 4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 23 23.831 18.656 6.488 1.00 0.00 H new ATOM 0 HD22 LEU A 23 22.567 19.886 6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 23 22.157 18.157 6.148 1.00 0.00 H new ATOM 386 N CYS A 24 19.992 17.742 0.964 1.00 0.00 N ATOM 387 CA CYS A 24 18.560 17.455 0.662 1.00 0.00 C ATOM 388 C CYS A 24 18.449 16.121 -0.083 1.00 0.00 C ATOM 389 O CYS A 24 18.082 15.119 0.493 1.00 0.00 O ATOM 390 CB CYS A 24 17.970 18.577 -0.192 1.00 0.00 C ATOM 391 SG CYS A 24 18.453 20.179 0.503 1.00 0.00 S ATOM 0 H CYS A 24 20.630 17.668 0.171 1.00 0.00 H new ATOM 0 HA CYS A 24 18.003 17.393 1.597 1.00 0.00 H new ATOM 0 HB2 CYS A 24 18.324 18.492 -1.219 1.00 0.00 H new ATOM 0 HB3 CYS A 24 16.884 18.494 -0.222 1.00 0.00 H new ATOM 396 N THR A 25 18.765 16.093 -1.354 1.00 0.00 N ATOM 397 CA THR A 25 18.677 14.809 -2.111 1.00 0.00 C ATOM 398 C THR A 25 19.723 13.839 -1.555 1.00 0.00 C ATOM 399 O THR A 25 20.835 13.760 -2.035 1.00 0.00 O ATOM 400 CB THR A 25 18.946 15.065 -3.595 1.00 0.00 C ATOM 401 OG1 THR A 25 19.839 16.164 -3.728 1.00 0.00 O ATOM 402 CG2 THR A 25 17.631 15.385 -4.307 1.00 0.00 C ATOM 0 H THR A 25 19.078 16.898 -1.896 1.00 0.00 H new ATOM 0 HA THR A 25 17.680 14.381 -2.002 1.00 0.00 H new ATOM 0 HB THR A 25 19.391 14.177 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 25 20.262 16.136 -4.611 1.00 0.00 H new ATOM 0 HG21 THR A 25 17.825 15.567 -5.364 1.00 0.00 H new ATOM 0 HG22 THR A 25 16.947 14.543 -4.203 1.00 0.00 H new ATOM 0 HG23 THR A 25 17.183 16.273 -3.862 1.00 0.00 H new ATOM 410 N GLU A 26 19.353 13.115 -0.537 1.00 0.00 N ATOM 411 CA GLU A 26 20.272 12.143 0.118 1.00 0.00 C ATOM 412 C GLU A 26 19.838 12.043 1.574 1.00 0.00 C ATOM 413 O GLU A 26 20.431 12.634 2.455 1.00 0.00 O ATOM 414 CB GLU A 26 21.719 12.637 0.047 1.00 0.00 C ATOM 415 CG GLU A 26 21.764 14.134 0.359 1.00 0.00 C ATOM 416 CD GLU A 26 22.707 14.381 1.538 1.00 0.00 C ATOM 417 OE1 GLU A 26 22.324 14.067 2.654 1.00 0.00 O ATOM 418 OE2 GLU A 26 23.796 14.879 1.306 1.00 0.00 O ATOM 0 H GLU A 26 18.423 13.158 -0.119 1.00 0.00 H new ATOM 0 HA GLU A 26 20.226 11.176 -0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.337 12.088 0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 26 22.130 12.449 -0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 26 22.105 14.689 -0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 26 20.764 14.497 0.597 1.00 0.00 H new ATOM 425 N LEU A 27 18.771 11.343 1.825 1.00 0.00 N ATOM 426 CA LEU A 27 18.254 11.251 3.215 1.00 0.00 C ATOM 427 C LEU A 27 17.887 9.815 3.546 1.00 0.00 C ATOM 428 O LEU A 27 18.214 9.296 4.592 1.00 0.00 O ATOM 429 CB LEU A 27 17.005 12.136 3.315 1.00 0.00 C ATOM 430 CG LEU A 27 17.131 13.322 2.344 1.00 0.00 C ATOM 431 CD1 LEU A 27 16.501 12.920 1.024 1.00 0.00 C ATOM 432 CD2 LEU A 27 16.422 14.558 2.907 1.00 0.00 C ATOM 0 H LEU A 27 18.233 10.830 1.127 1.00 0.00 H new ATOM 0 HA LEU A 27 19.018 11.582 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 27 16.115 11.553 3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 27 16.886 12.500 4.336 1.00 0.00 H new ATOM 0 HG LEU A 27 18.182 13.573 2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.578 13.746 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 27 17.021 12.050 0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 27 15.451 12.674 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.523 15.386 2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 27 15.366 14.335 3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 27 16.873 14.833 3.860 1.00 0.00 H new ATOM 444 N THR A 28 17.206 9.187 2.654 1.00 0.00 N ATOM 445 CA THR A 28 16.778 7.774 2.863 1.00 0.00 C ATOM 446 C THR A 28 15.620 7.441 1.921 1.00 0.00 C ATOM 447 O THR A 28 14.556 8.020 1.998 1.00 0.00 O ATOM 448 CB THR A 28 16.316 7.568 4.307 1.00 0.00 C ATOM 449 OG1 THR A 28 15.949 8.816 4.877 1.00 0.00 O ATOM 450 CG2 THR A 28 17.442 6.935 5.127 1.00 0.00 C ATOM 0 H THR A 28 16.915 9.592 1.764 1.00 0.00 H new ATOM 0 HA THR A 28 17.626 7.120 2.657 1.00 0.00 H new ATOM 0 HB THR A 28 15.452 6.903 4.314 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.682 9.149 5.436 1.00 0.00 H new ATOM 0 HG21 THR A 28 17.107 6.791 6.154 1.00 0.00 H new ATOM 0 HG22 THR A 28 17.710 5.971 4.694 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.312 7.591 5.118 1.00 0.00 H new ATOM 458 N VAL A 29 15.818 6.501 1.040 1.00 0.00 N ATOM 459 CA VAL A 29 14.730 6.112 0.093 1.00 0.00 C ATOM 460 C VAL A 29 14.867 4.615 -0.208 1.00 0.00 C ATOM 461 O VAL A 29 15.930 4.044 -0.058 1.00 0.00 O ATOM 462 CB VAL A 29 14.859 6.911 -1.215 1.00 0.00 C ATOM 463 CG1 VAL A 29 14.066 8.217 -1.158 1.00 0.00 C ATOM 464 CG2 VAL A 29 16.315 7.276 -1.449 1.00 0.00 C ATOM 0 H VAL A 29 16.689 5.982 0.933 1.00 0.00 H new ATOM 0 HA VAL A 29 13.758 6.324 0.538 1.00 0.00 H new ATOM 0 HB VAL A 29 14.470 6.283 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.181 8.754 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 29 13.012 7.995 -0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 29 14.439 8.834 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.404 7.842 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 29 16.676 7.882 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.911 6.366 -1.521 1.00 0.00 H new ATOM 474 N THR A 30 13.812 3.969 -0.626 1.00 0.00 N ATOM 475 CA THR A 30 13.916 2.508 -0.922 1.00 0.00 C ATOM 476 C THR A 30 14.923 2.297 -2.052 1.00 0.00 C ATOM 477 O THR A 30 14.721 2.737 -3.167 1.00 0.00 O ATOM 478 CB THR A 30 12.553 1.950 -1.334 1.00 0.00 C ATOM 479 OG1 THR A 30 11.563 2.403 -0.422 1.00 0.00 O ATOM 480 CG2 THR A 30 12.603 0.422 -1.312 1.00 0.00 C ATOM 0 H THR A 30 12.891 4.382 -0.775 1.00 0.00 H new ATOM 0 HA THR A 30 14.249 1.984 -0.027 1.00 0.00 H new ATOM 0 HB THR A 30 12.307 2.293 -2.339 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.688 2.048 -0.685 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.632 0.022 -1.605 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.365 0.073 -2.009 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.847 0.080 -0.306 1.00 0.00 H new ATOM 488 N ASP A 31 16.015 1.643 -1.769 1.00 0.00 N ATOM 489 CA ASP A 31 17.045 1.421 -2.822 1.00 0.00 C ATOM 490 C ASP A 31 16.712 0.173 -3.645 1.00 0.00 C ATOM 491 O ASP A 31 17.219 0.007 -4.727 1.00 0.00 O ATOM 492 CB ASP A 31 18.414 1.242 -2.164 1.00 0.00 C ATOM 493 CG ASP A 31 18.763 2.500 -1.366 1.00 0.00 C ATOM 494 OD1 ASP A 31 18.355 2.581 -0.219 1.00 0.00 O ATOM 495 OD2 ASP A 31 19.432 3.359 -1.915 1.00 0.00 O ATOM 0 H ASP A 31 16.239 1.252 -0.854 1.00 0.00 H new ATOM 0 HA ASP A 31 17.060 2.286 -3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.403 0.373 -1.507 1.00 0.00 H new ATOM 0 HB3 ASP A 31 19.174 1.058 -2.924 1.00 0.00 H new ATOM 500 N ILE A 32 15.844 -0.680 -3.143 1.00 0.00 N ATOM 501 CA ILE A 32 15.437 -1.935 -3.871 1.00 0.00 C ATOM 502 C ILE A 32 16.431 -2.308 -4.974 1.00 0.00 C ATOM 503 O ILE A 32 16.050 -2.602 -6.090 1.00 0.00 O ATOM 504 CB ILE A 32 14.068 -1.727 -4.503 1.00 0.00 C ATOM 505 CG1 ILE A 32 13.956 -0.286 -4.999 1.00 0.00 C ATOM 506 CG2 ILE A 32 12.995 -1.994 -3.453 1.00 0.00 C ATOM 507 CD1 ILE A 32 13.398 -0.279 -6.423 1.00 0.00 C ATOM 0 H ILE A 32 15.389 -0.557 -2.238 1.00 0.00 H new ATOM 0 HA ILE A 32 15.415 -2.745 -3.142 1.00 0.00 H new ATOM 0 HB ILE A 32 13.936 -2.408 -5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.305 0.287 -4.339 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.934 0.194 -4.978 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.009 -1.848 -3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.084 -3.020 -3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 32 13.124 -1.306 -2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.318 0.749 -6.777 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.066 -0.838 -7.078 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.412 -0.743 -6.430 1.00 0.00 H new ATOM 519 N PHE A 33 17.701 -2.288 -4.684 1.00 0.00 N ATOM 520 CA PHE A 33 18.699 -2.628 -5.737 1.00 0.00 C ATOM 521 C PHE A 33 19.584 -3.797 -5.275 1.00 0.00 C ATOM 522 O PHE A 33 20.721 -3.914 -5.688 1.00 0.00 O ATOM 523 CB PHE A 33 19.581 -1.406 -6.009 1.00 0.00 C ATOM 524 CG PHE A 33 18.791 -0.373 -6.779 1.00 0.00 C ATOM 525 CD1 PHE A 33 18.016 -0.757 -7.880 1.00 0.00 C ATOM 526 CD2 PHE A 33 18.833 0.972 -6.391 1.00 0.00 C ATOM 527 CE1 PHE A 33 17.285 0.204 -8.593 1.00 0.00 C ATOM 528 CE2 PHE A 33 18.100 1.929 -7.100 1.00 0.00 C ATOM 529 CZ PHE A 33 17.328 1.548 -8.201 1.00 0.00 C ATOM 0 H PHE A 33 18.090 -2.053 -3.771 1.00 0.00 H new ATOM 0 HA PHE A 33 18.171 -2.919 -6.645 1.00 0.00 H new ATOM 0 HB2 PHE A 33 19.933 -0.982 -5.068 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.464 -1.701 -6.576 1.00 0.00 H new ATOM 0 HD1 PHE A 33 17.981 -1.794 -8.180 1.00 0.00 H new ATOM 0 HD2 PHE A 33 19.432 1.270 -5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 33 16.689 -0.092 -9.444 1.00 0.00 H new ATOM 0 HE2 PHE A 33 18.131 2.965 -6.796 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.765 2.289 -8.749 1.00 0.00 H new ATOM 539 N ALA A 34 19.089 -4.666 -4.422 1.00 0.00 N ATOM 540 CA ALA A 34 19.931 -5.804 -3.959 1.00 0.00 C ATOM 541 C ALA A 34 19.056 -6.819 -3.221 1.00 0.00 C ATOM 542 O ALA A 34 19.130 -6.957 -2.015 1.00 0.00 O ATOM 543 CB ALA A 34 21.016 -5.284 -3.014 1.00 0.00 C ATOM 0 H ALA A 34 18.147 -4.633 -4.033 1.00 0.00 H new ATOM 0 HA ALA A 34 20.398 -6.284 -4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 34 21.633 -6.116 -2.675 1.00 0.00 H new ATOM 0 HB2 ALA A 34 21.640 -4.561 -3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 34 20.550 -4.804 -2.154 1.00 0.00 H new ATOM 549 N ALA A 35 18.229 -7.532 -3.933 1.00 0.00 N ATOM 550 CA ALA A 35 17.351 -8.538 -3.273 1.00 0.00 C ATOM 551 C ALA A 35 16.412 -9.151 -4.313 1.00 0.00 C ATOM 552 O ALA A 35 15.264 -8.770 -4.428 1.00 0.00 O ATOM 553 CB ALA A 35 16.525 -7.855 -2.180 1.00 0.00 C ATOM 0 H ALA A 35 18.123 -7.461 -4.945 1.00 0.00 H new ATOM 0 HA ALA A 35 17.964 -9.322 -2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.882 -8.591 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 35 17.194 -7.415 -1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 35 15.910 -7.072 -2.624 1.00 0.00 H new ATOM 559 N SER A 36 16.891 -10.097 -5.073 1.00 0.00 N ATOM 560 CA SER A 36 16.027 -10.729 -6.108 1.00 0.00 C ATOM 561 C SER A 36 15.551 -9.659 -7.091 1.00 0.00 C ATOM 562 O SER A 36 14.389 -9.594 -7.440 1.00 0.00 O ATOM 563 CB SER A 36 14.815 -11.379 -5.436 1.00 0.00 C ATOM 564 OG SER A 36 15.172 -12.671 -4.965 1.00 0.00 O ATOM 0 H SER A 36 17.843 -10.459 -5.022 1.00 0.00 H new ATOM 0 HA SER A 36 16.596 -11.490 -6.642 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.470 -10.761 -4.607 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.989 -11.453 -6.144 1.00 0.00 H new ATOM 0 HG SER A 36 14.397 -13.087 -4.533 1.00 0.00 H new ATOM 570 N LYS A 37 16.443 -8.820 -7.539 1.00 0.00 N ATOM 571 CA LYS A 37 16.046 -7.752 -8.499 1.00 0.00 C ATOM 572 C LYS A 37 16.028 -8.323 -9.919 1.00 0.00 C ATOM 573 O LYS A 37 15.893 -7.600 -10.886 1.00 0.00 O ATOM 574 CB LYS A 37 17.050 -6.600 -8.424 1.00 0.00 C ATOM 575 CG LYS A 37 16.663 -5.520 -9.437 1.00 0.00 C ATOM 576 CD LYS A 37 17.708 -5.470 -10.553 1.00 0.00 C ATOM 577 CE LYS A 37 17.325 -4.384 -11.561 1.00 0.00 C ATOM 578 NZ LYS A 37 18.554 -3.682 -12.024 1.00 0.00 N ATOM 0 H LYS A 37 17.430 -8.828 -7.282 1.00 0.00 H new ATOM 0 HA LYS A 37 15.052 -7.384 -8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.065 -6.181 -7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.056 -6.966 -8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.679 -5.734 -9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.596 -4.551 -8.943 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.693 -5.262 -10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.771 -6.438 -11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.805 -4.828 -12.410 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.638 -3.673 -11.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.295 -2.944 -12.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.032 -3.246 -11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.194 -4.365 -12.477 1.00 0.00 H new ATOM 592 N ASN A 38 16.160 -9.614 -10.051 1.00 0.00 N ATOM 593 CA ASN A 38 16.147 -10.227 -11.409 1.00 0.00 C ATOM 594 C ASN A 38 14.827 -9.891 -12.104 1.00 0.00 C ATOM 595 O ASN A 38 14.694 -10.025 -13.305 1.00 0.00 O ATOM 596 CB ASN A 38 16.286 -11.745 -11.284 1.00 0.00 C ATOM 597 CG ASN A 38 15.323 -12.258 -10.211 1.00 0.00 C ATOM 598 OD1 ASN A 38 14.602 -11.489 -9.607 1.00 0.00 O ATOM 599 ND2 ASN A 38 15.282 -13.535 -9.946 1.00 0.00 N ATOM 0 H ASN A 38 16.276 -10.270 -9.279 1.00 0.00 H new ATOM 0 HA ASN A 38 16.978 -9.834 -11.995 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.069 -12.221 -12.240 1.00 0.00 H new ATOM 0 HB3 ASN A 38 17.311 -12.007 -11.023 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.645 -13.887 -9.232 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.887 -14.181 -10.453 1.00 0.00 H new ATOM 606 N THR A 39 13.850 -9.454 -11.358 1.00 0.00 N ATOM 607 CA THR A 39 12.538 -9.110 -11.974 1.00 0.00 C ATOM 608 C THR A 39 12.763 -8.186 -13.172 1.00 0.00 C ATOM 609 O THR A 39 13.879 -7.826 -13.492 1.00 0.00 O ATOM 610 CB THR A 39 11.663 -8.397 -10.938 1.00 0.00 C ATOM 611 OG1 THR A 39 10.387 -8.130 -11.505 1.00 0.00 O ATOM 612 CG2 THR A 39 12.326 -7.084 -10.523 1.00 0.00 C ATOM 0 H THR A 39 13.904 -9.320 -10.348 1.00 0.00 H new ATOM 0 HA THR A 39 12.042 -10.021 -12.307 1.00 0.00 H new ATOM 0 HB THR A 39 11.546 -9.032 -10.060 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.691 -8.293 -10.835 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.702 -6.578 -9.786 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.304 -7.292 -10.089 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.445 -6.444 -11.397 1.00 0.00 H new ATOM 620 N THR A 40 11.710 -7.801 -13.839 1.00 0.00 N ATOM 621 CA THR A 40 11.860 -6.901 -15.017 1.00 0.00 C ATOM 622 C THR A 40 12.377 -5.538 -14.558 1.00 0.00 C ATOM 623 O THR A 40 12.073 -5.081 -13.474 1.00 0.00 O ATOM 624 CB THR A 40 10.500 -6.729 -15.700 1.00 0.00 C ATOM 625 OG1 THR A 40 9.465 -6.943 -14.750 1.00 0.00 O ATOM 626 CG2 THR A 40 10.368 -7.740 -16.840 1.00 0.00 C ATOM 0 H THR A 40 10.751 -8.071 -13.619 1.00 0.00 H new ATOM 0 HA THR A 40 12.569 -7.337 -15.720 1.00 0.00 H new ATOM 0 HB THR A 40 10.420 -5.720 -16.103 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.594 -6.832 -15.185 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.400 -7.617 -17.325 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.162 -7.574 -17.568 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.448 -8.751 -16.441 1.00 0.00 H new ATOM 634 N GLU A 41 13.157 -4.882 -15.374 1.00 0.00 N ATOM 635 CA GLU A 41 13.689 -3.548 -14.983 1.00 0.00 C ATOM 636 C GLU A 41 12.517 -2.604 -14.710 1.00 0.00 C ATOM 637 O GLU A 41 12.502 -1.877 -13.738 1.00 0.00 O ATOM 638 CB GLU A 41 14.547 -2.983 -16.117 1.00 0.00 C ATOM 639 CG GLU A 41 15.638 -3.991 -16.482 1.00 0.00 C ATOM 640 CD GLU A 41 16.998 -3.292 -16.486 1.00 0.00 C ATOM 641 OE1 GLU A 41 17.596 -3.195 -15.428 1.00 0.00 O ATOM 642 OE2 GLU A 41 17.421 -2.867 -17.549 1.00 0.00 O ATOM 0 H GLU A 41 13.448 -5.213 -16.294 1.00 0.00 H new ATOM 0 HA GLU A 41 14.301 -3.646 -14.086 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.926 -2.773 -16.987 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.997 -2.039 -15.811 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.642 -4.813 -15.767 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.436 -4.422 -17.462 1.00 0.00 H new ATOM 649 N LYS A 42 11.529 -2.615 -15.562 1.00 0.00 N ATOM 650 CA LYS A 42 10.357 -1.724 -15.350 1.00 0.00 C ATOM 651 C LYS A 42 9.855 -1.884 -13.915 1.00 0.00 C ATOM 652 O LYS A 42 9.306 -0.969 -13.331 1.00 0.00 O ATOM 653 CB LYS A 42 9.241 -2.109 -16.326 1.00 0.00 C ATOM 654 CG LYS A 42 9.722 -1.896 -17.762 1.00 0.00 C ATOM 655 CD LYS A 42 9.972 -3.253 -18.424 1.00 0.00 C ATOM 656 CE LYS A 42 10.130 -3.064 -19.932 1.00 0.00 C ATOM 657 NZ LYS A 42 11.223 -2.086 -20.199 1.00 0.00 N ATOM 0 H LYS A 42 11.484 -3.202 -16.395 1.00 0.00 H new ATOM 0 HA LYS A 42 10.649 -0.688 -15.522 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.957 -3.151 -16.177 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.353 -1.506 -16.136 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.977 -1.336 -18.327 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.637 -1.304 -17.766 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.869 -3.712 -18.009 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.142 -3.929 -18.217 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.358 -4.018 -20.407 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.195 -2.708 -20.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.527 -2.167 -21.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.877 -1.122 -20.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.028 -2.286 -19.572 1.00 0.00 H new ATOM 671 N GLU A 43 10.033 -3.043 -13.341 1.00 0.00 N ATOM 672 CA GLU A 43 9.562 -3.268 -11.945 1.00 0.00 C ATOM 673 C GLU A 43 10.408 -2.452 -10.966 1.00 0.00 C ATOM 674 O GLU A 43 9.885 -1.786 -10.096 1.00 0.00 O ATOM 675 CB GLU A 43 9.676 -4.753 -11.602 1.00 0.00 C ATOM 676 CG GLU A 43 9.092 -5.001 -10.209 1.00 0.00 C ATOM 677 CD GLU A 43 8.044 -6.114 -10.283 1.00 0.00 C ATOM 678 OE1 GLU A 43 7.272 -6.110 -11.228 1.00 0.00 O ATOM 679 OE2 GLU A 43 8.033 -6.950 -9.396 1.00 0.00 O ATOM 0 H GLU A 43 10.485 -3.845 -13.780 1.00 0.00 H new ATOM 0 HA GLU A 43 8.522 -2.951 -11.865 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.144 -5.350 -12.343 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.720 -5.065 -11.631 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.885 -5.280 -9.515 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.640 -4.087 -9.825 1.00 0.00 H new ATOM 686 N THR A 44 11.709 -2.491 -11.089 1.00 0.00 N ATOM 687 CA THR A 44 12.550 -1.698 -10.142 1.00 0.00 C ATOM 688 C THR A 44 12.201 -0.227 -10.309 1.00 0.00 C ATOM 689 O THR A 44 12.294 0.560 -9.390 1.00 0.00 O ATOM 690 CB THR A 44 14.055 -1.921 -10.395 1.00 0.00 C ATOM 691 OG1 THR A 44 14.775 -1.596 -9.214 1.00 0.00 O ATOM 692 CG2 THR A 44 14.540 -1.027 -11.539 1.00 0.00 C ATOM 0 H THR A 44 12.219 -3.027 -11.791 1.00 0.00 H new ATOM 0 HA THR A 44 12.344 -2.026 -9.123 1.00 0.00 H new ATOM 0 HB THR A 44 14.221 -2.964 -10.665 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.707 -1.885 -9.309 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.604 -1.195 -11.706 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.988 -1.267 -12.447 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.374 0.019 -11.279 1.00 0.00 H new ATOM 700 N PHE A 45 11.797 0.141 -11.484 1.00 0.00 N ATOM 701 CA PHE A 45 11.423 1.560 -11.743 1.00 0.00 C ATOM 702 C PHE A 45 10.118 1.876 -11.013 1.00 0.00 C ATOM 703 O PHE A 45 9.868 2.999 -10.628 1.00 0.00 O ATOM 704 CB PHE A 45 11.241 1.788 -13.238 1.00 0.00 C ATOM 705 CG PHE A 45 12.599 1.700 -13.940 1.00 0.00 C ATOM 706 CD1 PHE A 45 13.753 2.218 -13.320 1.00 0.00 C ATOM 707 CD2 PHE A 45 12.718 1.092 -15.205 1.00 0.00 C ATOM 708 CE1 PHE A 45 14.996 2.129 -13.953 1.00 0.00 C ATOM 709 CE2 PHE A 45 13.967 1.003 -15.830 1.00 0.00 C ATOM 710 CZ PHE A 45 15.103 1.522 -15.205 1.00 0.00 C ATOM 0 H PHE A 45 11.707 -0.482 -12.287 1.00 0.00 H new ATOM 0 HA PHE A 45 12.216 2.214 -11.381 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.559 1.044 -13.649 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.791 2.765 -13.415 1.00 0.00 H new ATOM 0 HD1 PHE A 45 13.677 2.687 -12.350 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.842 0.693 -15.695 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.876 2.531 -13.472 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.053 0.532 -16.798 1.00 0.00 H new ATOM 0 HZ PHE A 45 16.065 1.454 -15.691 1.00 0.00 H new ATOM 720 N CYS A 46 9.274 0.893 -10.831 1.00 0.00 N ATOM 721 CA CYS A 46 7.981 1.136 -10.131 1.00 0.00 C ATOM 722 C CYS A 46 8.254 1.448 -8.654 1.00 0.00 C ATOM 723 O CYS A 46 7.771 2.426 -8.122 1.00 0.00 O ATOM 724 CB CYS A 46 7.097 -0.121 -10.278 1.00 0.00 C ATOM 725 SG CYS A 46 6.030 -0.359 -8.830 1.00 0.00 S ATOM 0 H CYS A 46 9.426 -0.068 -11.138 1.00 0.00 H new ATOM 0 HA CYS A 46 7.461 1.988 -10.569 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.482 -0.031 -11.173 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.730 -0.998 -10.413 1.00 0.00 H new ATOM 730 N ARG A 47 9.019 0.626 -7.995 1.00 0.00 N ATOM 731 CA ARG A 47 9.318 0.872 -6.554 1.00 0.00 C ATOM 732 C ARG A 47 10.242 2.081 -6.413 1.00 0.00 C ATOM 733 O ARG A 47 10.186 2.810 -5.441 1.00 0.00 O ATOM 734 CB ARG A 47 10.010 -0.358 -5.968 1.00 0.00 C ATOM 735 CG ARG A 47 10.192 -0.168 -4.460 1.00 0.00 C ATOM 736 CD ARG A 47 9.252 -1.111 -3.708 1.00 0.00 C ATOM 737 NE ARG A 47 9.013 -0.581 -2.336 1.00 0.00 N ATOM 738 CZ ARG A 47 7.849 -0.741 -1.767 1.00 0.00 C ATOM 739 NH1 ARG A 47 6.755 -0.613 -2.469 1.00 0.00 N ATOM 740 NH2 ARG A 47 7.778 -1.026 -0.496 1.00 0.00 N ATOM 0 H ARG A 47 9.452 -0.208 -8.391 1.00 0.00 H new ATOM 0 HA ARG A 47 8.387 1.066 -6.022 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.417 -1.251 -6.164 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.978 -0.507 -6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.226 -0.369 -4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.983 0.866 -4.185 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.307 -1.204 -4.244 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.687 -2.109 -3.654 1.00 0.00 H new ATOM 0 HE ARG A 47 9.759 -0.093 -1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.810 -0.388 -3.462 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.846 -0.738 -2.024 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.632 -1.124 0.053 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.869 -1.151 -0.051 1.00 0.00 H new ATOM 754 N ALA A 48 11.101 2.290 -7.367 1.00 0.00 N ATOM 755 CA ALA A 48 12.047 3.447 -7.280 1.00 0.00 C ATOM 756 C ALA A 48 11.284 4.749 -7.458 1.00 0.00 C ATOM 757 O ALA A 48 11.530 5.736 -6.798 1.00 0.00 O ATOM 758 CB ALA A 48 13.140 3.343 -8.356 1.00 0.00 C ATOM 0 H ALA A 48 11.194 1.715 -8.204 1.00 0.00 H new ATOM 0 HA ALA A 48 12.521 3.429 -6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.815 4.195 -8.273 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.702 2.420 -8.216 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.679 3.341 -9.344 1.00 0.00 H new ATOM 764 N ALA A 49 10.360 4.742 -8.342 1.00 0.00 N ATOM 765 CA ALA A 49 9.548 5.961 -8.589 1.00 0.00 C ATOM 766 C ALA A 49 8.635 6.193 -7.394 1.00 0.00 C ATOM 767 O ALA A 49 8.281 7.311 -7.074 1.00 0.00 O ATOM 768 CB ALA A 49 8.702 5.770 -9.851 1.00 0.00 C ATOM 0 H ALA A 49 10.118 3.938 -8.921 1.00 0.00 H new ATOM 0 HA ALA A 49 10.204 6.820 -8.727 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.107 6.666 -10.030 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.357 5.593 -10.704 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.039 4.915 -9.719 1.00 0.00 H new ATOM 774 N THR A 50 8.249 5.143 -6.730 1.00 0.00 N ATOM 775 CA THR A 50 7.361 5.303 -5.554 1.00 0.00 C ATOM 776 C THR A 50 8.101 6.060 -4.457 1.00 0.00 C ATOM 777 O THR A 50 7.532 6.886 -3.782 1.00 0.00 O ATOM 778 CB THR A 50 6.947 3.930 -5.018 1.00 0.00 C ATOM 779 OG1 THR A 50 7.404 2.913 -5.897 1.00 0.00 O ATOM 780 CG2 THR A 50 5.424 3.861 -4.902 1.00 0.00 C ATOM 0 H THR A 50 8.511 4.182 -6.952 1.00 0.00 H new ATOM 0 HA THR A 50 6.472 5.858 -5.856 1.00 0.00 H new ATOM 0 HB THR A 50 7.392 3.781 -4.034 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.007 3.044 -6.784 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.132 2.883 -4.520 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.076 4.636 -4.219 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.977 4.015 -5.884 1.00 0.00 H new ATOM 788 N VAL A 51 9.354 5.762 -4.242 1.00 0.00 N ATOM 789 CA VAL A 51 10.098 6.463 -3.154 1.00 0.00 C ATOM 790 C VAL A 51 10.400 7.914 -3.523 1.00 0.00 C ATOM 791 O VAL A 51 10.110 8.807 -2.765 1.00 0.00 O ATOM 792 CB VAL A 51 11.402 5.716 -2.838 1.00 0.00 C ATOM 793 CG1 VAL A 51 11.170 4.207 -2.926 1.00 0.00 C ATOM 794 CG2 VAL A 51 12.493 6.115 -3.832 1.00 0.00 C ATOM 0 H VAL A 51 9.891 5.071 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 51 9.463 6.470 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 51 11.719 5.980 -1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.099 3.682 -2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.404 3.914 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.841 3.947 -3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.413 5.579 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.174 5.863 -4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.672 7.188 -3.765 1.00 0.00 H new ATOM 804 N LEU A 52 10.980 8.180 -4.661 1.00 0.00 N ATOM 805 CA LEU A 52 11.257 9.610 -4.991 1.00 0.00 C ATOM 806 C LEU A 52 9.920 10.340 -5.101 1.00 0.00 C ATOM 807 O LEU A 52 9.829 11.525 -4.861 1.00 0.00 O ATOM 808 CB LEU A 52 12.027 9.738 -6.310 1.00 0.00 C ATOM 809 CG LEU A 52 13.529 9.656 -6.030 1.00 0.00 C ATOM 810 CD1 LEU A 52 14.243 9.069 -7.250 1.00 0.00 C ATOM 811 CD2 LEU A 52 14.073 11.055 -5.749 1.00 0.00 C ATOM 0 H LEU A 52 11.267 7.494 -5.359 1.00 0.00 H new ATOM 0 HA LEU A 52 11.873 10.047 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 52 11.730 8.945 -6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.787 10.685 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 52 13.702 9.018 -5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 52 15.313 9.010 -7.052 1.00 0.00 H new ATOM 0 HD12 LEU A 52 13.856 8.070 -7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 52 14.069 9.708 -8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.143 10.996 -5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.900 11.693 -6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.565 11.475 -4.881 1.00 0.00 H new ATOM 823 N ARG A 53 8.885 9.641 -5.470 1.00 0.00 N ATOM 824 CA ARG A 53 7.555 10.290 -5.597 1.00 0.00 C ATOM 825 C ARG A 53 7.020 10.661 -4.209 1.00 0.00 C ATOM 826 O ARG A 53 6.594 11.776 -3.983 1.00 0.00 O ATOM 827 CB ARG A 53 6.581 9.321 -6.271 1.00 0.00 C ATOM 828 CG ARG A 53 5.162 9.887 -6.197 1.00 0.00 C ATOM 829 CD ARG A 53 4.380 9.169 -5.097 1.00 0.00 C ATOM 830 NE ARG A 53 3.177 8.515 -5.687 1.00 0.00 N ATOM 831 CZ ARG A 53 1.986 8.848 -5.275 1.00 0.00 C ATOM 832 NH1 ARG A 53 1.539 10.058 -5.477 1.00 0.00 N ATOM 833 NH2 ARG A 53 1.239 7.973 -4.659 1.00 0.00 N ATOM 0 H ARG A 53 8.904 8.645 -5.690 1.00 0.00 H new ATOM 0 HA ARG A 53 7.653 11.194 -6.198 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.868 9.166 -7.311 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.622 8.348 -5.780 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.197 10.957 -5.993 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.659 9.761 -7.156 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.012 8.424 -4.614 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.080 9.879 -4.327 1.00 0.00 H new ATOM 0 HE ARG A 53 3.286 7.807 -6.413 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.122 10.743 -5.958 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.607 10.318 -5.154 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.587 7.028 -4.500 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.307 8.235 -4.337 1.00 0.00 H new ATOM 847 N GLN A 54 7.020 9.740 -3.276 1.00 0.00 N ATOM 848 CA GLN A 54 6.487 10.076 -1.918 1.00 0.00 C ATOM 849 C GLN A 54 7.431 11.030 -1.192 1.00 0.00 C ATOM 850 O GLN A 54 7.028 11.837 -0.381 1.00 0.00 O ATOM 851 CB GLN A 54 6.317 8.790 -1.092 1.00 0.00 C ATOM 852 CG GLN A 54 7.629 8.000 -1.101 1.00 0.00 C ATOM 853 CD GLN A 54 7.325 6.508 -1.248 1.00 0.00 C ATOM 854 OE1 GLN A 54 6.365 6.132 -1.891 1.00 0.00 O ATOM 855 NE2 GLN A 54 8.110 5.636 -0.675 1.00 0.00 N ATOM 0 H GLN A 54 7.360 8.785 -3.392 1.00 0.00 H new ATOM 0 HA GLN A 54 5.519 10.564 -2.036 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.036 9.037 -0.068 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.512 8.183 -1.506 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.262 8.336 -1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.181 8.180 -0.179 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.916 5.952 -0.135 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.918 4.639 -0.767 1.00 0.00 H new ATOM 864 N PHE A 55 8.679 10.916 -1.472 1.00 0.00 N ATOM 865 CA PHE A 55 9.697 11.775 -0.811 1.00 0.00 C ATOM 866 C PHE A 55 9.610 13.224 -1.312 1.00 0.00 C ATOM 867 O PHE A 55 9.600 14.154 -0.540 1.00 0.00 O ATOM 868 CB PHE A 55 11.100 11.203 -1.063 1.00 0.00 C ATOM 869 CG PHE A 55 11.971 11.614 0.096 1.00 0.00 C ATOM 870 CD1 PHE A 55 12.385 12.944 0.226 1.00 0.00 C ATOM 871 CD2 PHE A 55 12.324 10.670 1.063 1.00 0.00 C ATOM 872 CE1 PHE A 55 13.150 13.329 1.333 1.00 0.00 C ATOM 873 CE2 PHE A 55 13.098 11.052 2.164 1.00 0.00 C ATOM 874 CZ PHE A 55 13.507 12.385 2.304 1.00 0.00 C ATOM 0 H PHE A 55 9.057 10.251 -2.146 1.00 0.00 H new ATOM 0 HA PHE A 55 9.500 11.782 0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.062 10.117 -1.148 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.506 11.582 -2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.115 13.671 -0.525 1.00 0.00 H new ATOM 0 HD2 PHE A 55 11.999 9.645 0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.466 14.356 1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 55 13.380 10.320 2.906 1.00 0.00 H new ATOM 0 HZ PHE A 55 14.096 12.684 3.159 1.00 0.00 H new ATOM 884 N TYR A 56 9.561 13.448 -2.586 1.00 0.00 N ATOM 885 CA TYR A 56 9.501 14.868 -3.039 1.00 0.00 C ATOM 886 C TYR A 56 8.123 15.476 -2.687 1.00 0.00 C ATOM 887 O TYR A 56 8.061 16.575 -2.178 1.00 0.00 O ATOM 888 CB TYR A 56 9.814 15.001 -4.551 1.00 0.00 C ATOM 889 CG TYR A 56 8.555 15.046 -5.380 1.00 0.00 C ATOM 890 CD1 TYR A 56 7.780 13.898 -5.544 1.00 0.00 C ATOM 891 CD2 TYR A 56 8.172 16.248 -5.992 1.00 0.00 C ATOM 892 CE1 TYR A 56 6.616 13.947 -6.318 1.00 0.00 C ATOM 893 CE2 TYR A 56 7.009 16.297 -6.766 1.00 0.00 C ATOM 894 CZ TYR A 56 6.228 15.147 -6.929 1.00 0.00 C ATOM 895 OH TYR A 56 5.080 15.195 -7.692 1.00 0.00 O ATOM 0 H TYR A 56 9.559 12.739 -3.320 1.00 0.00 H new ATOM 0 HA TYR A 56 10.272 15.430 -2.511 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.396 15.906 -4.724 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.430 14.160 -4.870 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.078 12.973 -5.074 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.775 17.135 -5.866 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.015 13.059 -6.445 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.713 17.222 -7.238 1.00 0.00 H new ATOM 0 HH TYR A 56 4.529 15.953 -7.406 1.00 0.00 H new ATOM 905 N SER A 57 7.009 14.802 -2.936 1.00 0.00 N ATOM 906 CA SER A 57 5.701 15.425 -2.577 1.00 0.00 C ATOM 907 C SER A 57 5.505 15.433 -1.054 1.00 0.00 C ATOM 908 O SER A 57 5.181 16.443 -0.461 1.00 0.00 O ATOM 909 CB SER A 57 4.568 14.629 -3.229 1.00 0.00 C ATOM 910 OG SER A 57 3.320 15.215 -2.888 1.00 0.00 O ATOM 0 H SER A 57 6.959 13.876 -3.360 1.00 0.00 H new ATOM 0 HA SER A 57 5.692 16.454 -2.936 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.693 14.618 -4.312 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.598 13.592 -2.894 1.00 0.00 H new ATOM 0 HG SER A 57 2.594 14.706 -3.307 1.00 0.00 H new ATOM 916 N HIS A 58 5.670 14.303 -0.425 1.00 0.00 N ATOM 917 CA HIS A 58 5.470 14.215 1.052 1.00 0.00 C ATOM 918 C HIS A 58 6.608 14.897 1.821 1.00 0.00 C ATOM 919 O HIS A 58 6.380 15.676 2.725 1.00 0.00 O ATOM 920 CB HIS A 58 5.403 12.743 1.461 1.00 0.00 C ATOM 921 CG HIS A 58 4.388 12.571 2.557 1.00 0.00 C ATOM 922 ND1 HIS A 58 3.277 11.754 2.415 1.00 0.00 N ATOM 923 CD2 HIS A 58 4.302 13.103 3.820 1.00 0.00 C ATOM 924 CE1 HIS A 58 2.577 11.817 3.563 1.00 0.00 C ATOM 925 NE2 HIS A 58 3.159 12.626 4.452 1.00 0.00 N ATOM 0 H HIS A 58 5.937 13.427 -0.874 1.00 0.00 H new ATOM 0 HA HIS A 58 4.540 14.728 1.298 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.134 12.128 0.602 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.382 12.404 1.801 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.014 13.788 4.256 1.00 0.00 H new ATOM 0 HE1 HIS A 58 1.658 11.279 3.743 1.00 0.00 H new ATOM 0 HE2 HIS A 58 2.834 12.847 5.393 1.00 0.00 H new ATOM 933 N HIS A 59 7.831 14.570 1.503 1.00 0.00 N ATOM 934 CA HIS A 59 8.986 15.152 2.252 1.00 0.00 C ATOM 935 C HIS A 59 9.173 16.640 1.938 1.00 0.00 C ATOM 936 O HIS A 59 9.642 17.386 2.774 1.00 0.00 O ATOM 937 CB HIS A 59 10.262 14.384 1.898 1.00 0.00 C ATOM 938 CG HIS A 59 10.900 13.856 3.148 1.00 0.00 C ATOM 939 ND1 HIS A 59 11.651 14.650 3.997 1.00 0.00 N ATOM 940 CD2 HIS A 59 10.906 12.601 3.698 1.00 0.00 C ATOM 941 CE1 HIS A 59 12.077 13.870 5.008 1.00 0.00 C ATOM 942 NE2 HIS A 59 11.650 12.610 4.874 1.00 0.00 N ATOM 0 H HIS A 59 8.083 13.923 0.755 1.00 0.00 H new ATOM 0 HA HIS A 59 8.778 15.061 3.318 1.00 0.00 H new ATOM 0 HB2 HIS A 59 10.027 13.561 1.223 1.00 0.00 H new ATOM 0 HB3 HIS A 59 10.957 15.038 1.372 1.00 0.00 H new ATOM 0 HD2 HIS A 59 10.409 11.737 3.282 1.00 0.00 H new ATOM 0 HE1 HIS A 59 12.689 14.219 5.827 1.00 0.00 H new ATOM 0 HE2 HIS A 59 11.831 11.825 5.499 1.00 0.00 H new ATOM 950 N GLU A 60 8.832 17.084 0.754 1.00 0.00 N ATOM 951 CA GLU A 60 9.026 18.537 0.433 1.00 0.00 C ATOM 952 C GLU A 60 8.614 19.380 1.640 1.00 0.00 C ATOM 953 O GLU A 60 9.174 20.428 1.901 1.00 0.00 O ATOM 954 CB GLU A 60 8.192 18.944 -0.784 1.00 0.00 C ATOM 955 CG GLU A 60 6.748 18.475 -0.614 1.00 0.00 C ATOM 956 CD GLU A 60 5.801 19.666 -0.770 1.00 0.00 C ATOM 957 OE1 GLU A 60 6.207 20.766 -0.434 1.00 0.00 O ATOM 958 OE2 GLU A 60 4.688 19.459 -1.224 1.00 0.00 O ATOM 0 H GLU A 60 8.434 16.517 0.005 1.00 0.00 H new ATOM 0 HA GLU A 60 10.078 18.705 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.218 20.027 -0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.619 18.510 -1.688 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.513 17.711 -1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.616 18.018 0.367 1.00 0.00 H new ATOM 965 N LYS A 61 7.650 18.923 2.389 1.00 0.00 N ATOM 966 CA LYS A 61 7.213 19.682 3.594 1.00 0.00 C ATOM 967 C LYS A 61 7.491 18.836 4.839 1.00 0.00 C ATOM 968 O LYS A 61 6.661 18.056 5.264 1.00 0.00 O ATOM 969 CB LYS A 61 5.712 19.974 3.502 1.00 0.00 C ATOM 970 CG LYS A 61 5.435 20.850 2.279 1.00 0.00 C ATOM 971 CD LYS A 61 4.517 22.008 2.681 1.00 0.00 C ATOM 972 CE LYS A 61 4.046 22.746 1.425 1.00 0.00 C ATOM 973 NZ LYS A 61 2.750 23.424 1.705 1.00 0.00 N ATOM 0 H LYS A 61 7.144 18.054 2.218 1.00 0.00 H new ATOM 0 HA LYS A 61 7.758 20.624 3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.153 19.041 3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.373 20.478 4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.371 21.236 1.875 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.968 20.258 1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.659 21.630 3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.047 22.694 3.341 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.793 23.478 1.119 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.931 22.044 0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.429 23.926 0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.039 22.715 1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.875 24.105 2.481 1.00 0.00 H new ATOM 987 N ASP A 62 8.650 18.974 5.426 1.00 0.00 N ATOM 988 CA ASP A 62 8.967 18.168 6.635 1.00 0.00 C ATOM 989 C ASP A 62 10.280 18.663 7.229 1.00 0.00 C ATOM 990 O ASP A 62 11.017 17.929 7.857 1.00 0.00 O ATOM 991 CB ASP A 62 9.092 16.691 6.254 1.00 0.00 C ATOM 992 CG ASP A 62 8.925 15.825 7.505 1.00 0.00 C ATOM 993 OD1 ASP A 62 9.883 15.708 8.251 1.00 0.00 O ATOM 994 OD2 ASP A 62 7.843 15.294 7.694 1.00 0.00 O ATOM 0 H ASP A 62 9.387 19.609 5.120 1.00 0.00 H new ATOM 0 HA ASP A 62 8.169 18.275 7.370 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.335 16.430 5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.063 16.504 5.796 1.00 0.00 H new ATOM 999 N THR A 63 10.566 19.913 7.031 1.00 0.00 N ATOM 1000 CA THR A 63 11.826 20.495 7.577 1.00 0.00 C ATOM 1001 C THR A 63 13.029 19.946 6.808 1.00 0.00 C ATOM 1002 O THR A 63 14.065 19.662 7.377 1.00 0.00 O ATOM 1003 CB THR A 63 11.957 20.129 9.057 1.00 0.00 C ATOM 1004 OG1 THR A 63 10.713 20.342 9.708 1.00 0.00 O ATOM 1005 CG2 THR A 63 13.032 21.001 9.708 1.00 0.00 C ATOM 0 H THR A 63 9.980 20.566 6.511 1.00 0.00 H new ATOM 0 HA THR A 63 11.796 21.579 7.469 1.00 0.00 H new ATOM 0 HB THR A 63 12.240 19.080 9.148 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.795 20.106 10.656 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.124 20.739 10.762 1.00 0.00 H new ATOM 0 HG22 THR A 63 13.987 20.836 9.208 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.753 22.051 9.618 1.00 0.00 H new ATOM 1013 N ARG A 64 12.907 19.808 5.518 1.00 0.00 N ATOM 1014 CA ARG A 64 14.049 19.295 4.712 1.00 0.00 C ATOM 1015 C ARG A 64 14.567 20.425 3.826 1.00 0.00 C ATOM 1016 O ARG A 64 14.094 20.634 2.726 1.00 0.00 O ATOM 1017 CB ARG A 64 13.580 18.126 3.841 1.00 0.00 C ATOM 1018 CG ARG A 64 12.356 18.554 3.030 1.00 0.00 C ATOM 1019 CD ARG A 64 12.492 18.051 1.592 1.00 0.00 C ATOM 1020 NE ARG A 64 13.864 18.344 1.089 1.00 0.00 N ATOM 1021 CZ ARG A 64 14.247 17.882 -0.070 1.00 0.00 C ATOM 1022 NH1 ARG A 64 14.192 16.601 -0.313 1.00 0.00 N ATOM 1023 NH2 ARG A 64 14.685 18.702 -0.986 1.00 0.00 N ATOM 0 H ARG A 64 12.065 20.028 4.986 1.00 0.00 H new ATOM 0 HA ARG A 64 14.844 18.947 5.371 1.00 0.00 H new ATOM 0 HB2 ARG A 64 14.381 17.813 3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 64 13.333 17.268 4.467 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.449 18.153 3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.263 19.640 3.039 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.300 16.979 1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.750 18.533 0.956 1.00 0.00 H new ATOM 0 HE ARG A 64 14.504 18.906 1.651 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.850 15.960 0.403 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.491 16.240 -1.219 1.00 0.00 H new ATOM 0 HH21 ARG A 64 14.728 19.703 -0.796 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.985 18.342 -1.892 1.00 0.00 H new ATOM 1037 N CYS A 65 15.526 21.167 4.301 1.00 0.00 N ATOM 1038 CA CYS A 65 16.063 22.296 3.491 1.00 0.00 C ATOM 1039 C CYS A 65 14.986 23.376 3.351 1.00 0.00 C ATOM 1040 O CYS A 65 15.049 24.214 2.473 1.00 0.00 O ATOM 1041 CB CYS A 65 16.452 21.788 2.100 1.00 0.00 C ATOM 1042 SG CYS A 65 17.450 20.286 2.255 1.00 0.00 S ATOM 0 H CYS A 65 15.962 21.041 5.215 1.00 0.00 H new ATOM 0 HA CYS A 65 16.940 22.713 3.985 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.556 21.582 1.514 1.00 0.00 H new ATOM 0 HB3 CYS A 65 17.013 22.555 1.566 1.00 0.00 H new ATOM 1047 N LEU A 66 13.993 23.362 4.203 1.00 0.00 N ATOM 1048 CA LEU A 66 12.913 24.385 4.110 1.00 0.00 C ATOM 1049 C LEU A 66 13.523 25.761 3.839 1.00 0.00 C ATOM 1050 O LEU A 66 13.575 26.213 2.713 1.00 0.00 O ATOM 1051 CB LEU A 66 12.130 24.421 5.423 1.00 0.00 C ATOM 1052 CG LEU A 66 10.709 23.913 5.175 1.00 0.00 C ATOM 1053 CD1 LEU A 66 9.967 24.898 4.268 1.00 0.00 C ATOM 1054 CD2 LEU A 66 10.773 22.544 4.497 1.00 0.00 C ATOM 0 H LEU A 66 13.885 22.685 4.959 1.00 0.00 H new ATOM 0 HA LEU A 66 12.241 24.125 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.624 23.803 6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.102 25.437 5.816 1.00 0.00 H new ATOM 0 HG LEU A 66 10.181 23.826 6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.954 24.537 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.925 25.875 4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.493 24.984 3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.762 22.179 4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.300 22.633 3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.303 21.843 5.142 1.00 0.00 H new ATOM 1066 N GLY A 67 13.980 26.436 4.858 1.00 0.00 N ATOM 1067 CA GLY A 67 14.578 27.782 4.637 1.00 0.00 C ATOM 1068 C GLY A 67 15.985 27.843 5.271 1.00 0.00 C ATOM 1069 O GLY A 67 16.923 27.301 4.731 1.00 0.00 O ATOM 0 H GLY A 67 13.965 26.117 5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.642 27.990 3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.939 28.550 5.074 1.00 0.00 H new ATOM 1073 N ALA A 68 16.163 28.493 6.415 1.00 0.00 N ATOM 1074 CA ALA A 68 17.526 28.550 7.017 1.00 0.00 C ATOM 1075 C ALA A 68 18.452 29.371 6.111 1.00 0.00 C ATOM 1076 O ALA A 68 19.644 29.452 6.339 1.00 0.00 O ATOM 1077 CB ALA A 68 18.078 27.131 7.161 1.00 0.00 C ATOM 0 H ALA A 68 15.431 28.973 6.938 1.00 0.00 H new ATOM 0 HA ALA A 68 17.471 29.020 7.999 1.00 0.00 H new ATOM 0 HB1 ALA A 68 19.074 27.171 7.601 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.420 26.548 7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.134 26.661 6.179 1.00 0.00 H new ATOM 1083 N THR A 69 17.917 29.976 5.080 1.00 0.00 N ATOM 1084 CA THR A 69 18.762 30.784 4.153 1.00 0.00 C ATOM 1085 C THR A 69 17.991 31.016 2.845 1.00 0.00 C ATOM 1086 O THR A 69 17.583 30.071 2.202 1.00 0.00 O ATOM 1087 CB THR A 69 20.055 30.026 3.836 1.00 0.00 C ATOM 1088 OG1 THR A 69 19.896 28.648 4.147 1.00 0.00 O ATOM 1089 CG2 THR A 69 21.205 30.608 4.660 1.00 0.00 C ATOM 0 H THR A 69 16.926 29.944 4.841 1.00 0.00 H new ATOM 0 HA THR A 69 19.003 31.737 4.624 1.00 0.00 H new ATOM 0 HB THR A 69 20.280 30.130 2.774 1.00 0.00 H new ATOM 0 HG1 THR A 69 20.305 28.460 5.017 1.00 0.00 H new ATOM 0 HG21 THR A 69 22.124 30.068 4.434 1.00 0.00 H new ATOM 0 HG22 THR A 69 21.333 31.662 4.413 1.00 0.00 H new ATOM 0 HG23 THR A 69 20.978 30.509 5.722 1.00 0.00 H new ATOM 1097 N ALA A 70 17.790 32.246 2.418 1.00 0.00 N ATOM 1098 CA ALA A 70 17.067 32.449 1.137 1.00 0.00 C ATOM 1099 C ALA A 70 17.700 31.526 0.102 1.00 0.00 C ATOM 1100 O ALA A 70 17.053 31.068 -0.819 1.00 0.00 O ATOM 1101 CB ALA A 70 17.200 33.906 0.689 1.00 0.00 C ATOM 0 H ALA A 70 18.092 33.095 2.896 1.00 0.00 H new ATOM 0 HA ALA A 70 16.007 32.224 1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 70 16.667 34.048 -0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 70 16.774 34.561 1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 70 18.253 34.149 0.549 1.00 0.00 H new ATOM 1107 N GLN A 71 18.962 31.225 0.264 1.00 0.00 N ATOM 1108 CA GLN A 71 19.628 30.302 -0.695 1.00 0.00 C ATOM 1109 C GLN A 71 19.040 28.909 -0.475 1.00 0.00 C ATOM 1110 O GLN A 71 18.649 28.228 -1.404 1.00 0.00 O ATOM 1111 CB GLN A 71 21.135 30.277 -0.432 1.00 0.00 C ATOM 1112 CG GLN A 71 21.755 31.598 -0.894 1.00 0.00 C ATOM 1113 CD GLN A 71 21.829 31.621 -2.421 1.00 0.00 C ATOM 1114 OE1 GLN A 71 22.845 31.286 -2.996 1.00 0.00 O ATOM 1115 NE2 GLN A 71 20.788 32.004 -3.107 1.00 0.00 N ATOM 0 H GLN A 71 19.555 31.577 1.015 1.00 0.00 H new ATOM 0 HA GLN A 71 19.465 30.631 -1.721 1.00 0.00 H new ATOM 0 HB2 GLN A 71 21.327 30.124 0.630 1.00 0.00 H new ATOM 0 HB3 GLN A 71 21.594 29.442 -0.962 1.00 0.00 H new ATOM 0 HG2 GLN A 71 21.158 32.437 -0.536 1.00 0.00 H new ATOM 0 HG3 GLN A 71 22.752 31.712 -0.469 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.935 32.285 -2.624 1.00 0.00 H new ATOM 0 HE22 GLN A 71 20.827 32.022 -4.126 1.00 0.00 H new ATOM 1124 N GLN A 72 18.957 28.498 0.759 1.00 0.00 N ATOM 1125 CA GLN A 72 18.373 27.168 1.077 1.00 0.00 C ATOM 1126 C GLN A 72 16.997 27.051 0.426 1.00 0.00 C ATOM 1127 O GLN A 72 16.560 25.982 0.052 1.00 0.00 O ATOM 1128 CB GLN A 72 18.209 27.047 2.577 1.00 0.00 C ATOM 1129 CG GLN A 72 19.322 26.177 3.144 1.00 0.00 C ATOM 1130 CD GLN A 72 20.665 26.545 2.504 1.00 0.00 C ATOM 1131 OE1 GLN A 72 20.850 27.656 2.050 1.00 0.00 O ATOM 1132 NE2 GLN A 72 21.614 25.651 2.450 1.00 0.00 N ATOM 0 H GLN A 72 19.272 29.033 1.568 1.00 0.00 H new ATOM 0 HA GLN A 72 19.030 26.382 0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.236 28.035 3.037 1.00 0.00 H new ATOM 0 HB3 GLN A 72 17.238 26.612 2.813 1.00 0.00 H new ATOM 0 HG2 GLN A 72 19.379 26.307 4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 72 19.100 25.126 2.960 1.00 0.00 H new ATOM 0 HE21 GLN A 72 21.458 24.718 2.832 1.00 0.00 H new ATOM 0 HE22 GLN A 72 22.512 25.885 2.026 1.00 0.00 H new ATOM 1141 N PHE A 73 16.303 28.150 0.312 1.00 0.00 N ATOM 1142 CA PHE A 73 14.942 28.125 -0.291 1.00 0.00 C ATOM 1143 C PHE A 73 15.026 27.756 -1.777 1.00 0.00 C ATOM 1144 O PHE A 73 14.240 26.974 -2.271 1.00 0.00 O ATOM 1145 CB PHE A 73 14.299 29.506 -0.133 1.00 0.00 C ATOM 1146 CG PHE A 73 12.882 29.464 -0.653 1.00 0.00 C ATOM 1147 CD1 PHE A 73 12.029 28.415 -0.284 1.00 0.00 C ATOM 1148 CD2 PHE A 73 12.420 30.474 -1.505 1.00 0.00 C ATOM 1149 CE1 PHE A 73 10.717 28.378 -0.768 1.00 0.00 C ATOM 1150 CE2 PHE A 73 11.106 30.436 -1.988 1.00 0.00 C ATOM 1151 CZ PHE A 73 10.255 29.388 -1.620 1.00 0.00 C ATOM 0 H PHE A 73 16.624 29.070 0.613 1.00 0.00 H new ATOM 0 HA PHE A 73 14.335 27.376 0.218 1.00 0.00 H new ATOM 0 HB2 PHE A 73 14.304 29.804 0.916 1.00 0.00 H new ATOM 0 HB3 PHE A 73 14.876 30.252 -0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.384 27.636 0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 73 13.077 31.283 -1.790 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.060 27.569 -0.484 1.00 0.00 H new ATOM 0 HE2 PHE A 73 10.749 31.216 -2.645 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.242 29.358 -1.993 1.00 0.00 H new ATOM 1161 N HIS A 74 15.957 28.319 -2.500 1.00 0.00 N ATOM 1162 CA HIS A 74 16.060 27.998 -3.953 1.00 0.00 C ATOM 1163 C HIS A 74 16.542 26.571 -4.154 1.00 0.00 C ATOM 1164 O HIS A 74 16.098 25.864 -5.035 1.00 0.00 O ATOM 1165 CB HIS A 74 17.032 28.970 -4.620 1.00 0.00 C ATOM 1166 CG HIS A 74 16.390 29.566 -5.843 1.00 0.00 C ATOM 1167 ND1 HIS A 74 15.397 28.908 -6.550 1.00 0.00 N ATOM 1168 CD2 HIS A 74 16.588 30.758 -6.494 1.00 0.00 C ATOM 1169 CE1 HIS A 74 15.038 29.701 -7.576 1.00 0.00 C ATOM 1170 NE2 HIS A 74 15.733 30.841 -7.589 1.00 0.00 N ATOM 0 H HIS A 74 16.647 28.984 -2.150 1.00 0.00 H new ATOM 0 HA HIS A 74 15.073 28.096 -4.405 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.310 29.759 -3.921 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.950 28.451 -4.895 1.00 0.00 H new ATOM 0 HD2 HIS A 74 17.299 31.516 -6.201 1.00 0.00 H new ATOM 0 HE1 HIS A 74 14.279 29.446 -8.301 1.00 0.00 H new ATOM 0 HE2 HIS A 74 15.654 31.607 -8.257 1.00 0.00 H new ATOM 1178 N ARG A 75 17.441 26.154 -3.342 1.00 0.00 N ATOM 1179 CA ARG A 75 17.976 24.767 -3.454 1.00 0.00 C ATOM 1180 C ARG A 75 16.891 23.779 -3.026 1.00 0.00 C ATOM 1181 O ARG A 75 16.830 22.662 -3.500 1.00 0.00 O ATOM 1182 CB ARG A 75 19.196 24.614 -2.545 1.00 0.00 C ATOM 1183 CG ARG A 75 19.912 23.302 -2.872 1.00 0.00 C ATOM 1184 CD ARG A 75 21.242 23.245 -2.119 1.00 0.00 C ATOM 1185 NE ARG A 75 22.021 24.485 -2.393 1.00 0.00 N ATOM 1186 CZ ARG A 75 23.098 24.745 -1.705 1.00 0.00 C ATOM 1187 NH1 ARG A 75 23.099 24.578 -0.410 1.00 0.00 N ATOM 1188 NH2 ARG A 75 24.173 25.169 -2.310 1.00 0.00 N ATOM 0 H ARG A 75 17.844 26.712 -2.589 1.00 0.00 H new ATOM 0 HA ARG A 75 18.270 24.567 -4.484 1.00 0.00 H new ATOM 0 HB2 ARG A 75 19.874 25.456 -2.684 1.00 0.00 H new ATOM 0 HB3 ARG A 75 18.888 24.622 -1.500 1.00 0.00 H new ATOM 0 HG2 ARG A 75 19.287 22.454 -2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 75 20.086 23.228 -3.945 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.062 23.145 -1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.811 22.369 -2.430 1.00 0.00 H new ATOM 0 HE ARG A 75 21.712 25.131 -3.119 1.00 0.00 H new ATOM 0 HH11 ARG A 75 22.258 24.245 0.062 1.00 0.00 H new ATOM 0 HH12 ARG A 75 23.940 24.781 0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 75 24.172 25.297 -3.322 1.00 0.00 H new ATOM 0 HH22 ARG A 75 25.015 25.372 -1.771 1.00 0.00 H new ATOM 1202 N HIS A 76 16.034 24.188 -2.135 1.00 0.00 N ATOM 1203 CA HIS A 76 14.945 23.282 -1.669 1.00 0.00 C ATOM 1204 C HIS A 76 13.928 23.084 -2.797 1.00 0.00 C ATOM 1205 O HIS A 76 13.555 21.974 -3.123 1.00 0.00 O ATOM 1206 CB HIS A 76 14.252 23.903 -0.445 1.00 0.00 C ATOM 1207 CG HIS A 76 12.899 23.274 -0.243 1.00 0.00 C ATOM 1208 ND1 HIS A 76 12.629 21.965 -0.606 1.00 0.00 N ATOM 1209 CD2 HIS A 76 11.729 23.770 0.269 1.00 0.00 C ATOM 1210 CE1 HIS A 76 11.340 21.721 -0.308 1.00 0.00 C ATOM 1211 NE2 HIS A 76 10.745 22.790 0.229 1.00 0.00 N ATOM 0 H HIS A 76 16.039 25.114 -1.707 1.00 0.00 H new ATOM 0 HA HIS A 76 15.366 22.316 -1.392 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.866 23.757 0.444 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.145 24.979 -0.585 1.00 0.00 H new ATOM 0 HD1 HIS A 76 13.287 21.307 -1.023 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.592 24.772 0.647 1.00 0.00 H new ATOM 0 HE1 HIS A 76 10.846 20.776 -0.482 1.00 0.00 H new ATOM 1219 N LYS A 77 13.467 24.152 -3.385 1.00 0.00 N ATOM 1220 CA LYS A 77 12.463 24.025 -4.480 1.00 0.00 C ATOM 1221 C LYS A 77 13.111 23.419 -5.731 1.00 0.00 C ATOM 1222 O LYS A 77 12.459 22.765 -6.517 1.00 0.00 O ATOM 1223 CB LYS A 77 11.907 25.409 -4.819 1.00 0.00 C ATOM 1224 CG LYS A 77 11.377 26.073 -3.546 1.00 0.00 C ATOM 1225 CD LYS A 77 9.853 25.958 -3.506 1.00 0.00 C ATOM 1226 CE LYS A 77 9.232 27.125 -4.275 1.00 0.00 C ATOM 1227 NZ LYS A 77 7.918 27.479 -3.667 1.00 0.00 N ATOM 0 H LYS A 77 13.741 25.107 -3.156 1.00 0.00 H new ATOM 0 HA LYS A 77 11.657 23.371 -4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.686 26.026 -5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.108 25.321 -5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.811 25.597 -2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.674 27.121 -3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.538 25.011 -3.944 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.504 25.963 -2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.900 27.986 -4.251 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.099 26.854 -5.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.496 28.273 -4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.282 26.657 -3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.058 27.754 -2.674 1.00 0.00 H new ATOM 1241 N GLN A 78 14.380 23.646 -5.933 1.00 0.00 N ATOM 1242 CA GLN A 78 15.054 23.102 -7.148 1.00 0.00 C ATOM 1243 C GLN A 78 15.137 21.573 -7.093 1.00 0.00 C ATOM 1244 O GLN A 78 14.895 20.899 -8.073 1.00 0.00 O ATOM 1245 CB GLN A 78 16.468 23.679 -7.235 1.00 0.00 C ATOM 1246 CG GLN A 78 17.202 23.058 -8.425 1.00 0.00 C ATOM 1247 CD GLN A 78 18.603 23.661 -8.533 1.00 0.00 C ATOM 1248 OE1 GLN A 78 19.047 24.356 -7.641 1.00 0.00 O ATOM 1249 NE2 GLN A 78 19.323 23.423 -9.594 1.00 0.00 N ATOM 0 H GLN A 78 14.981 24.185 -5.309 1.00 0.00 H new ATOM 0 HA GLN A 78 14.472 23.385 -8.025 1.00 0.00 H new ATOM 0 HB2 GLN A 78 16.424 24.762 -7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 78 17.012 23.476 -6.313 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.269 21.977 -8.301 1.00 0.00 H new ATOM 0 HG3 GLN A 78 16.645 23.239 -9.344 1.00 0.00 H new ATOM 0 HE21 GLN A 78 18.950 22.839 -10.343 1.00 0.00 H new ATOM 0 HE22 GLN A 78 20.259 23.820 -9.675 1.00 0.00 H new ATOM 1258 N LEU A 79 15.497 21.016 -5.970 1.00 0.00 N ATOM 1259 CA LEU A 79 15.611 19.534 -5.874 1.00 0.00 C ATOM 1260 C LEU A 79 14.231 18.899 -5.916 1.00 0.00 C ATOM 1261 O LEU A 79 14.030 17.926 -6.593 1.00 0.00 O ATOM 1262 CB LEU A 79 16.322 19.152 -4.576 1.00 0.00 C ATOM 1263 CG LEU A 79 17.798 19.536 -4.667 1.00 0.00 C ATOM 1264 CD1 LEU A 79 18.158 20.459 -3.503 1.00 0.00 C ATOM 1265 CD2 LEU A 79 18.657 18.273 -4.599 1.00 0.00 C ATOM 0 H LEU A 79 15.717 21.524 -5.113 1.00 0.00 H new ATOM 0 HA LEU A 79 16.192 19.168 -6.721 1.00 0.00 H new ATOM 0 HB2 LEU A 79 15.855 19.659 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 79 16.225 18.081 -4.398 1.00 0.00 H new ATOM 0 HG LEU A 79 17.982 20.052 -5.610 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.211 20.733 -3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.545 21.359 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 79 17.975 19.944 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.710 18.545 -4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 79 18.473 17.758 -3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 79 18.401 17.614 -5.428 1.00 0.00 H new ATOM 1277 N ILE A 80 13.282 19.425 -5.198 1.00 0.00 N ATOM 1278 CA ILE A 80 11.921 18.818 -5.236 1.00 0.00 C ATOM 1279 C ILE A 80 11.312 19.032 -6.626 1.00 0.00 C ATOM 1280 O ILE A 80 10.514 18.241 -7.083 1.00 0.00 O ATOM 1281 CB ILE A 80 11.018 19.469 -4.185 1.00 0.00 C ATOM 1282 CG1 ILE A 80 11.629 19.308 -2.789 1.00 0.00 C ATOM 1283 CG2 ILE A 80 9.642 18.801 -4.213 1.00 0.00 C ATOM 1284 CD1 ILE A 80 12.153 17.883 -2.605 1.00 0.00 C ATOM 0 H ILE A 80 13.385 20.239 -4.592 1.00 0.00 H new ATOM 0 HA ILE A 80 12.002 17.752 -5.022 1.00 0.00 H new ATOM 0 HB ILE A 80 10.920 20.531 -4.411 1.00 0.00 H new ATOM 0 HG12 ILE A 80 12.441 20.022 -2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.880 19.529 -2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.998 19.263 -3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.198 18.924 -5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.749 17.739 -3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.585 17.780 -1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.332 17.176 -2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.916 17.676 -3.355 1.00 0.00 H new ATOM 1296 N ARG A 81 11.683 20.087 -7.312 1.00 0.00 N ATOM 1297 CA ARG A 81 11.116 20.310 -8.673 1.00 0.00 C ATOM 1298 C ARG A 81 11.691 19.244 -9.593 1.00 0.00 C ATOM 1299 O ARG A 81 10.977 18.546 -10.285 1.00 0.00 O ATOM 1300 CB ARG A 81 11.508 21.698 -9.186 1.00 0.00 C ATOM 1301 CG ARG A 81 10.429 22.212 -10.142 1.00 0.00 C ATOM 1302 CD ARG A 81 9.905 23.559 -9.642 1.00 0.00 C ATOM 1303 NE ARG A 81 8.736 23.335 -8.747 1.00 0.00 N ATOM 1304 CZ ARG A 81 7.523 23.485 -9.206 1.00 0.00 C ATOM 1305 NH1 ARG A 81 6.919 22.488 -9.794 1.00 0.00 N ATOM 1306 NH2 ARG A 81 6.916 24.634 -9.081 1.00 0.00 N ATOM 0 H ARG A 81 12.345 20.793 -6.991 1.00 0.00 H new ATOM 0 HA ARG A 81 10.028 20.250 -8.644 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.626 22.387 -8.349 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.469 21.650 -9.697 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.839 22.319 -11.146 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.612 21.493 -10.206 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.691 24.091 -9.105 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.616 24.185 -10.486 1.00 0.00 H new ATOM 0 HE ARG A 81 8.883 23.064 -7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.395 21.591 -9.895 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.971 22.606 -10.152 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.389 25.414 -8.625 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.968 24.752 -9.439 1.00 0.00 H new ATOM 1320 N PHE A 82 12.984 19.091 -9.577 1.00 0.00 N ATOM 1321 CA PHE A 82 13.625 18.060 -10.399 1.00 0.00 C ATOM 1322 C PHE A 82 13.176 16.703 -9.862 1.00 0.00 C ATOM 1323 O PHE A 82 13.072 15.736 -10.591 1.00 0.00 O ATOM 1324 CB PHE A 82 15.139 18.236 -10.283 1.00 0.00 C ATOM 1325 CG PHE A 82 15.623 19.159 -11.375 1.00 0.00 C ATOM 1326 CD1 PHE A 82 15.759 18.686 -12.686 1.00 0.00 C ATOM 1327 CD2 PHE A 82 15.936 20.491 -11.077 1.00 0.00 C ATOM 1328 CE1 PHE A 82 16.208 19.542 -13.697 1.00 0.00 C ATOM 1329 CE2 PHE A 82 16.385 21.349 -12.089 1.00 0.00 C ATOM 1330 CZ PHE A 82 16.521 20.874 -13.398 1.00 0.00 C ATOM 0 H PHE A 82 13.625 19.652 -9.016 1.00 0.00 H new ATOM 0 HA PHE A 82 13.349 18.135 -11.451 1.00 0.00 H new ATOM 0 HB2 PHE A 82 15.394 18.646 -9.306 1.00 0.00 H new ATOM 0 HB3 PHE A 82 15.636 17.269 -10.363 1.00 0.00 H new ATOM 0 HD1 PHE A 82 15.517 17.659 -12.917 1.00 0.00 H new ATOM 0 HD2 PHE A 82 15.831 20.857 -10.066 1.00 0.00 H new ATOM 0 HE1 PHE A 82 16.313 19.176 -14.708 1.00 0.00 H new ATOM 0 HE2 PHE A 82 16.626 22.376 -11.859 1.00 0.00 H new ATOM 0 HZ PHE A 82 16.868 21.535 -14.179 1.00 0.00 H new ATOM 1340 N LEU A 83 12.882 16.630 -8.585 1.00 0.00 N ATOM 1341 CA LEU A 83 12.413 15.358 -8.000 1.00 0.00 C ATOM 1342 C LEU A 83 11.040 15.032 -8.575 1.00 0.00 C ATOM 1343 O LEU A 83 10.686 13.890 -8.790 1.00 0.00 O ATOM 1344 CB LEU A 83 12.344 15.555 -6.490 1.00 0.00 C ATOM 1345 CG LEU A 83 13.710 15.227 -5.895 1.00 0.00 C ATOM 1346 CD1 LEU A 83 13.669 15.347 -4.370 1.00 0.00 C ATOM 1347 CD2 LEU A 83 14.096 13.798 -6.269 1.00 0.00 C ATOM 0 H LEU A 83 12.951 17.408 -7.929 1.00 0.00 H new ATOM 0 HA LEU A 83 13.083 14.530 -8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.065 16.582 -6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.578 14.910 -6.059 1.00 0.00 H new ATOM 0 HG LEU A 83 14.443 15.930 -6.291 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.651 15.110 -3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.396 16.365 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 83 12.931 14.652 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.072 13.562 -5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.352 13.105 -5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 83 14.140 13.705 -7.354 1.00 0.00 H new ATOM 1359 N LYS A 84 10.284 16.045 -8.844 1.00 0.00 N ATOM 1360 CA LYS A 84 8.931 15.863 -9.435 1.00 0.00 C ATOM 1361 C LYS A 84 9.065 15.411 -10.887 1.00 0.00 C ATOM 1362 O LYS A 84 8.389 14.503 -11.327 1.00 0.00 O ATOM 1363 CB LYS A 84 8.162 17.184 -9.377 1.00 0.00 C ATOM 1364 CG LYS A 84 6.711 16.949 -9.799 1.00 0.00 C ATOM 1365 CD LYS A 84 6.101 18.263 -10.292 1.00 0.00 C ATOM 1366 CE LYS A 84 5.174 17.984 -11.476 1.00 0.00 C ATOM 1367 NZ LYS A 84 5.392 19.014 -12.530 1.00 0.00 N ATOM 0 H LYS A 84 10.547 17.016 -8.678 1.00 0.00 H new ATOM 0 HA LYS A 84 8.388 15.106 -8.869 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.196 17.593 -8.367 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.629 17.918 -10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.668 16.198 -10.588 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.135 16.562 -8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.545 18.743 -9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.890 18.953 -10.590 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.369 16.990 -11.878 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.134 17.997 -11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.762 18.825 -13.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.185 19.957 -12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.381 18.980 -12.849 1.00 0.00 H new ATOM 1381 N ARG A 85 9.930 16.035 -11.643 1.00 0.00 N ATOM 1382 CA ARG A 85 10.085 15.622 -13.062 1.00 0.00 C ATOM 1383 C ARG A 85 10.302 14.120 -13.112 1.00 0.00 C ATOM 1384 O ARG A 85 9.758 13.417 -13.941 1.00 0.00 O ATOM 1385 CB ARG A 85 11.290 16.337 -13.679 1.00 0.00 C ATOM 1386 CG ARG A 85 10.948 17.812 -13.905 1.00 0.00 C ATOM 1387 CD ARG A 85 12.201 18.559 -14.372 1.00 0.00 C ATOM 1388 NE ARG A 85 12.170 19.955 -13.850 1.00 0.00 N ATOM 1389 CZ ARG A 85 12.827 20.897 -14.470 1.00 0.00 C ATOM 1390 NH1 ARG A 85 13.883 20.600 -15.177 1.00 0.00 N ATOM 1391 NH2 ARG A 85 12.428 22.136 -14.384 1.00 0.00 N ATOM 0 H ARG A 85 10.528 16.804 -11.341 1.00 0.00 H new ATOM 0 HA ARG A 85 9.190 15.887 -13.625 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.154 16.250 -13.021 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.561 15.867 -14.624 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.158 17.903 -14.650 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.570 18.254 -12.983 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.096 18.047 -14.018 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.248 18.567 -15.461 1.00 0.00 H new ATOM 0 HE ARG A 85 11.636 20.174 -13.009 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.195 19.631 -15.245 1.00 0.00 H new ATOM 0 HH12 ARG A 85 14.396 21.337 -15.661 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.602 22.369 -13.832 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.942 22.872 -14.869 1.00 0.00 H new ATOM 1405 N LEU A 86 11.103 13.633 -12.223 1.00 0.00 N ATOM 1406 CA LEU A 86 11.394 12.174 -12.182 1.00 0.00 C ATOM 1407 C LEU A 86 10.165 11.385 -11.703 1.00 0.00 C ATOM 1408 O LEU A 86 9.972 10.252 -12.089 1.00 0.00 O ATOM 1409 CB LEU A 86 12.570 11.921 -11.232 1.00 0.00 C ATOM 1410 CG LEU A 86 13.139 10.514 -11.457 1.00 0.00 C ATOM 1411 CD1 LEU A 86 13.313 10.256 -12.955 1.00 0.00 C ATOM 1412 CD2 LEU A 86 14.500 10.402 -10.766 1.00 0.00 C ATOM 0 H LEU A 86 11.579 14.186 -11.510 1.00 0.00 H new ATOM 0 HA LEU A 86 11.648 11.838 -13.187 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.348 12.667 -11.398 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.241 12.027 -10.198 1.00 0.00 H new ATOM 0 HG LEU A 86 12.450 9.778 -11.042 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.717 9.255 -13.107 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.347 10.337 -13.453 1.00 0.00 H new ATOM 0 HD13 LEU A 86 13.999 10.992 -13.374 1.00 0.00 H new ATOM 0 HD21 LEU A 86 14.907 9.403 -10.924 1.00 0.00 H new ATOM 0 HD22 LEU A 86 15.182 11.142 -11.184 1.00 0.00 H new ATOM 0 HD23 LEU A 86 14.381 10.581 -9.697 1.00 0.00 H new ATOM 1424 N ASP A 87 9.343 11.945 -10.849 1.00 0.00 N ATOM 1425 CA ASP A 87 8.160 11.178 -10.363 1.00 0.00 C ATOM 1426 C ASP A 87 7.113 11.009 -11.474 1.00 0.00 C ATOM 1427 O ASP A 87 6.630 9.921 -11.717 1.00 0.00 O ATOM 1428 CB ASP A 87 7.531 11.911 -9.178 1.00 0.00 C ATOM 1429 CG ASP A 87 6.293 11.146 -8.708 1.00 0.00 C ATOM 1430 OD1 ASP A 87 6.147 9.999 -9.101 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.510 11.718 -7.970 1.00 0.00 O ATOM 0 H ASP A 87 9.440 12.888 -10.473 1.00 0.00 H new ATOM 0 HA ASP A 87 8.496 10.188 -10.056 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.251 11.995 -8.364 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.257 12.926 -9.467 1.00 0.00 H new ATOM 1436 N ARG A 88 6.741 12.071 -12.134 1.00 0.00 N ATOM 1437 CA ARG A 88 5.707 11.961 -13.206 1.00 0.00 C ATOM 1438 C ARG A 88 6.262 11.179 -14.401 1.00 0.00 C ATOM 1439 O ARG A 88 5.572 10.390 -15.017 1.00 0.00 O ATOM 1440 CB ARG A 88 5.309 13.364 -13.666 1.00 0.00 C ATOM 1441 CG ARG A 88 6.521 14.061 -14.289 1.00 0.00 C ATOM 1442 CD ARG A 88 6.233 15.557 -14.430 1.00 0.00 C ATOM 1443 NE ARG A 88 6.838 16.061 -15.694 1.00 0.00 N ATOM 1444 CZ ARG A 88 6.238 15.852 -16.835 1.00 0.00 C ATOM 1445 NH1 ARG A 88 6.438 14.736 -17.480 1.00 0.00 N ATOM 1446 NH2 ARG A 88 5.439 16.758 -17.328 1.00 0.00 N ATOM 0 H ARG A 88 7.107 13.010 -11.979 1.00 0.00 H new ATOM 0 HA ARG A 88 4.838 11.435 -12.809 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.498 13.304 -14.392 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.938 13.944 -12.821 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.402 13.907 -13.666 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.741 13.629 -15.265 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.157 15.733 -14.434 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.641 16.099 -13.577 1.00 0.00 H new ATOM 0 HE ARG A 88 7.722 16.570 -15.669 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.062 14.028 -17.093 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.970 14.571 -18.371 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.283 17.630 -16.822 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.971 16.594 -18.219 1.00 0.00 H new ATOM 1460 N ASN A 89 7.498 11.408 -14.744 1.00 0.00 N ATOM 1461 CA ASN A 89 8.104 10.695 -15.921 1.00 0.00 C ATOM 1462 C ASN A 89 8.330 9.212 -15.597 1.00 0.00 C ATOM 1463 O ASN A 89 8.033 8.341 -16.387 1.00 0.00 O ATOM 1464 CB ASN A 89 9.444 11.373 -16.316 1.00 0.00 C ATOM 1465 CG ASN A 89 10.610 10.372 -16.302 1.00 0.00 C ATOM 1466 OD1 ASN A 89 11.582 10.564 -15.598 1.00 0.00 O ATOM 1467 ND2 ASN A 89 10.550 9.307 -17.054 1.00 0.00 N ATOM 0 H ASN A 89 8.122 12.057 -14.265 1.00 0.00 H new ATOM 0 HA ASN A 89 7.413 10.758 -16.762 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.352 11.811 -17.310 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.656 12.190 -15.626 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.319 8.636 -17.051 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.735 9.145 -17.645 1.00 0.00 H new ATOM 1474 N LEU A 90 8.896 8.928 -14.461 1.00 0.00 N ATOM 1475 CA LEU A 90 9.193 7.507 -14.106 1.00 0.00 C ATOM 1476 C LEU A 90 7.959 6.621 -14.320 1.00 0.00 C ATOM 1477 O LEU A 90 8.079 5.451 -14.614 1.00 0.00 O ATOM 1478 CB LEU A 90 9.634 7.431 -12.646 1.00 0.00 C ATOM 1479 CG LEU A 90 11.156 7.576 -12.571 1.00 0.00 C ATOM 1480 CD1 LEU A 90 11.615 7.432 -11.117 1.00 0.00 C ATOM 1481 CD2 LEU A 90 11.815 6.489 -13.422 1.00 0.00 C ATOM 0 H LEU A 90 9.168 9.616 -13.759 1.00 0.00 H new ATOM 0 HA LEU A 90 9.992 7.145 -14.754 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.153 8.219 -12.067 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.325 6.481 -12.210 1.00 0.00 H new ATOM 0 HG LEU A 90 11.444 8.558 -12.947 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.699 7.536 -11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.147 8.207 -10.509 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.326 6.451 -10.740 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.899 6.592 -13.369 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.525 5.508 -13.047 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.491 6.592 -14.458 1.00 0.00 H new ATOM 1493 N TRP A 91 6.778 7.153 -14.176 1.00 0.00 N ATOM 1494 CA TRP A 91 5.565 6.320 -14.380 1.00 0.00 C ATOM 1495 C TRP A 91 5.415 6.000 -15.882 1.00 0.00 C ATOM 1496 O TRP A 91 5.037 4.906 -16.249 1.00 0.00 O ATOM 1497 CB TRP A 91 4.318 7.069 -13.864 1.00 0.00 C ATOM 1498 CG TRP A 91 4.306 7.136 -12.370 1.00 0.00 C ATOM 1499 CD1 TRP A 91 4.488 8.267 -11.669 1.00 0.00 C ATOM 1500 CD2 TRP A 91 4.070 6.079 -11.388 1.00 0.00 C ATOM 1501 NE1 TRP A 91 4.413 7.982 -10.318 1.00 0.00 N ATOM 1502 CE2 TRP A 91 4.156 6.645 -10.093 1.00 0.00 C ATOM 1503 CE3 TRP A 91 3.807 4.699 -11.480 1.00 0.00 C ATOM 1504 CZ2 TRP A 91 3.986 5.873 -8.941 1.00 0.00 C ATOM 1505 CZ3 TRP A 91 3.636 3.927 -10.323 1.00 0.00 C ATOM 1506 CH2 TRP A 91 3.727 4.511 -9.058 1.00 0.00 C ATOM 0 H TRP A 91 6.602 8.126 -13.926 1.00 0.00 H new ATOM 0 HA TRP A 91 5.663 5.388 -13.823 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.300 8.078 -14.276 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.417 6.566 -14.215 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.665 9.244 -12.093 1.00 0.00 H new ATOM 0 HE1 TRP A 91 4.533 8.675 -9.579 1.00 0.00 H new ATOM 0 HE3 TRP A 91 3.736 4.231 -12.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.055 6.331 -7.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.432 2.870 -10.411 1.00 0.00 H new ATOM 0 HH2 TRP A 91 3.597 3.907 -8.172 1.00 0.00 H new ATOM 1517 N GLY A 92 5.703 6.943 -16.755 1.00 0.00 N ATOM 1518 CA GLY A 92 5.568 6.672 -18.219 1.00 0.00 C ATOM 1519 C GLY A 92 6.676 5.725 -18.692 1.00 0.00 C ATOM 1520 O GLY A 92 6.425 4.732 -19.343 1.00 0.00 O ATOM 0 H GLY A 92 6.023 7.881 -16.515 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.592 6.232 -18.425 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.619 7.608 -18.775 1.00 0.00 H new ATOM 1524 N LEU A 93 7.902 6.043 -18.377 1.00 0.00 N ATOM 1525 CA LEU A 93 9.042 5.186 -18.810 1.00 0.00 C ATOM 1526 C LEU A 93 8.900 3.791 -18.194 1.00 0.00 C ATOM 1527 O LEU A 93 9.009 2.788 -18.872 1.00 0.00 O ATOM 1528 CB LEU A 93 10.352 5.852 -18.368 1.00 0.00 C ATOM 1529 CG LEU A 93 11.482 4.828 -18.307 1.00 0.00 C ATOM 1530 CD1 LEU A 93 11.423 3.903 -19.525 1.00 0.00 C ATOM 1531 CD2 LEU A 93 12.819 5.574 -18.293 1.00 0.00 C ATOM 0 H LEU A 93 8.164 6.866 -17.834 1.00 0.00 H new ATOM 0 HA LEU A 93 9.046 5.077 -19.895 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.614 6.649 -19.064 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.219 6.314 -17.390 1.00 0.00 H new ATOM 0 HG LEU A 93 11.379 4.224 -17.406 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.234 3.177 -19.470 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.467 3.379 -19.538 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.526 4.493 -20.436 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.637 4.855 -18.249 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.911 6.173 -19.199 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.863 6.226 -17.421 1.00 0.00 H new ATOM 1543 N ALA A 94 8.637 3.718 -16.922 1.00 0.00 N ATOM 1544 CA ALA A 94 8.462 2.402 -16.259 1.00 0.00 C ATOM 1545 C ALA A 94 7.595 2.634 -15.026 1.00 0.00 C ATOM 1546 O ALA A 94 6.385 2.551 -15.087 1.00 0.00 O ATOM 1547 CB ALA A 94 9.826 1.834 -15.859 1.00 0.00 C ATOM 0 H ALA A 94 8.535 4.525 -16.307 1.00 0.00 H new ATOM 0 HA ALA A 94 7.988 1.684 -16.929 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.689 0.868 -15.373 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.443 1.709 -16.749 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.318 2.520 -15.170 1.00 0.00 H new ATOM 1553 N GLY A 95 8.209 2.967 -13.923 1.00 0.00 N ATOM 1554 CA GLY A 95 7.451 3.253 -12.681 1.00 0.00 C ATOM 1555 C GLY A 95 6.231 2.339 -12.598 1.00 0.00 C ATOM 1556 O GLY A 95 5.195 2.763 -12.157 1.00 0.00 O ATOM 0 H GLY A 95 9.221 3.053 -13.833 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.090 3.102 -11.811 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.137 4.297 -12.668 1.00 0.00 H new ATOM 1560 N LEU A 96 6.328 1.107 -13.062 1.00 0.00 N ATOM 1561 CA LEU A 96 5.130 0.194 -13.033 1.00 0.00 C ATOM 1562 C LEU A 96 4.228 0.540 -11.846 1.00 0.00 C ATOM 1563 O LEU A 96 4.661 1.039 -10.824 1.00 0.00 O ATOM 1564 CB LEU A 96 5.568 -1.272 -13.010 1.00 0.00 C ATOM 1565 CG LEU A 96 4.432 -2.200 -12.577 1.00 0.00 C ATOM 1566 CD1 LEU A 96 4.350 -3.379 -13.550 1.00 0.00 C ATOM 1567 CD2 LEU A 96 4.725 -2.730 -11.173 1.00 0.00 C ATOM 0 H LEU A 96 7.176 0.698 -13.455 1.00 0.00 H new ATOM 0 HA LEU A 96 4.549 0.343 -13.943 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.916 -1.562 -14.001 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.411 -1.388 -12.329 1.00 0.00 H new ATOM 0 HG LEU A 96 3.489 -1.654 -12.576 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.542 -4.045 -13.247 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.156 -3.008 -14.556 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.293 -3.925 -13.540 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.919 -3.392 -10.858 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.665 -3.281 -11.181 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.800 -1.894 -10.477 1.00 0.00 H new ATOM 1579 N ASN A 97 2.969 0.324 -12.018 1.00 0.00 N ATOM 1580 CA ASN A 97 1.970 0.696 -10.966 1.00 0.00 C ATOM 1581 C ASN A 97 1.645 -0.499 -10.073 1.00 0.00 C ATOM 1582 O ASN A 97 0.515 -0.700 -9.674 1.00 0.00 O ATOM 1583 CB ASN A 97 0.686 1.169 -11.649 1.00 0.00 C ATOM 1584 CG ASN A 97 0.835 2.637 -12.054 1.00 0.00 C ATOM 1585 OD1 ASN A 97 0.916 3.508 -11.210 1.00 0.00 O ATOM 1586 ND2 ASN A 97 0.873 2.951 -13.320 1.00 0.00 N ATOM 0 H ASN A 97 2.569 -0.102 -12.854 1.00 0.00 H new ATOM 0 HA ASN A 97 2.393 1.488 -10.347 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.482 0.557 -12.528 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.162 1.051 -10.975 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.971 3.927 -13.601 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.805 2.221 -14.029 1.00 0.00 H new ATOM 1593 N SER A 98 2.620 -1.285 -9.753 1.00 0.00 N ATOM 1594 CA SER A 98 2.361 -2.470 -8.878 1.00 0.00 C ATOM 1595 C SER A 98 3.671 -2.933 -8.216 1.00 0.00 C ATOM 1596 O SER A 98 4.429 -3.682 -8.800 1.00 0.00 O ATOM 1597 CB SER A 98 1.797 -3.611 -9.727 1.00 0.00 C ATOM 1598 OG SER A 98 0.461 -3.881 -9.330 1.00 0.00 O ATOM 0 H SER A 98 3.588 -1.168 -10.053 1.00 0.00 H new ATOM 0 HA SER A 98 1.646 -2.193 -8.104 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.827 -3.342 -10.783 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.410 -4.504 -9.609 1.00 0.00 H new ATOM 0 HG SER A 98 0.099 -4.611 -9.875 1.00 0.00 H new ATOM 1604 N CYS A 99 3.960 -2.498 -7.007 1.00 0.00 N ATOM 1605 CA CYS A 99 5.230 -2.930 -6.353 1.00 0.00 C ATOM 1606 C CYS A 99 4.944 -3.592 -4.998 1.00 0.00 C ATOM 1607 O CYS A 99 5.346 -3.081 -3.972 1.00 0.00 O ATOM 1608 CB CYS A 99 6.117 -1.709 -6.129 1.00 0.00 C ATOM 1609 SG CYS A 99 7.166 -1.465 -7.578 1.00 0.00 S ATOM 0 H CYS A 99 3.375 -1.870 -6.455 1.00 0.00 H new ATOM 0 HA CYS A 99 5.729 -3.651 -7.000 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.503 -0.825 -5.956 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.731 -1.849 -5.240 1.00 0.00 H new ATOM 1614 N PRO A 100 4.275 -4.718 -5.030 1.00 0.00 N ATOM 1615 CA PRO A 100 3.936 -5.495 -3.798 1.00 0.00 C ATOM 1616 C PRO A 100 5.157 -6.292 -3.321 1.00 0.00 C ATOM 1617 O PRO A 100 5.249 -7.484 -3.535 1.00 0.00 O ATOM 1618 CB PRO A 100 2.835 -6.434 -4.272 1.00 0.00 C ATOM 1619 CG PRO A 100 3.008 -6.594 -5.776 1.00 0.00 C ATOM 1620 CD PRO A 100 3.765 -5.364 -6.285 1.00 0.00 C ATOM 0 HA PRO A 100 3.631 -4.868 -2.960 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.908 -7.399 -3.770 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.852 -6.026 -4.038 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.560 -7.506 -6.004 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.038 -6.678 -6.267 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.581 -5.643 -6.952 1.00 0.00 H new ATOM 0 HD3 PRO A 100 3.111 -4.694 -6.844 1.00 0.00 H new ATOM 1628 N VAL A 101 6.098 -5.646 -2.684 1.00 0.00 N ATOM 1629 CA VAL A 101 7.307 -6.381 -2.209 1.00 0.00 C ATOM 1630 C VAL A 101 7.676 -5.928 -0.791 1.00 0.00 C ATOM 1631 O VAL A 101 7.771 -6.732 0.115 1.00 0.00 O ATOM 1632 CB VAL A 101 8.476 -6.108 -3.162 1.00 0.00 C ATOM 1633 CG1 VAL A 101 8.556 -4.610 -3.462 1.00 0.00 C ATOM 1634 CG2 VAL A 101 9.784 -6.571 -2.517 1.00 0.00 C ATOM 0 H VAL A 101 6.082 -4.648 -2.473 1.00 0.00 H new ATOM 0 HA VAL A 101 7.093 -7.450 -2.192 1.00 0.00 H new ATOM 0 HB VAL A 101 8.318 -6.655 -4.091 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.388 -4.419 -4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.626 -4.282 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 101 8.711 -4.061 -2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.614 -6.376 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.942 -6.028 -1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 101 9.729 -7.640 -2.309 1.00 0.00 H new ATOM 1644 N LYS A 102 7.890 -4.654 -0.593 1.00 0.00 N ATOM 1645 CA LYS A 102 8.258 -4.157 0.767 1.00 0.00 C ATOM 1646 C LYS A 102 9.742 -4.430 1.022 1.00 0.00 C ATOM 1647 O LYS A 102 10.106 -5.394 1.666 1.00 0.00 O ATOM 1648 CB LYS A 102 7.415 -4.872 1.824 1.00 0.00 C ATOM 1649 CG LYS A 102 7.396 -4.040 3.108 1.00 0.00 C ATOM 1650 CD LYS A 102 6.020 -3.393 3.277 1.00 0.00 C ATOM 1651 CE LYS A 102 6.187 -1.899 3.554 1.00 0.00 C ATOM 1652 NZ LYS A 102 4.861 -1.226 3.470 1.00 0.00 N ATOM 0 H LYS A 102 7.826 -3.935 -1.314 1.00 0.00 H new ATOM 0 HA LYS A 102 8.069 -3.085 0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.399 -5.018 1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.826 -5.861 2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.620 -4.672 3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.168 -3.272 3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.424 -3.542 2.377 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.482 -3.868 4.098 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.621 -1.748 4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.876 -1.460 2.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.975 -0.210 3.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.464 -1.359 2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.217 -1.639 4.175 1.00 0.00 H new ATOM 1666 N GLU A 103 10.598 -3.586 0.519 1.00 0.00 N ATOM 1667 CA GLU A 103 12.061 -3.787 0.725 1.00 0.00 C ATOM 1668 C GLU A 103 12.496 -3.079 2.009 1.00 0.00 C ATOM 1669 O GLU A 103 12.867 -1.923 2.002 1.00 0.00 O ATOM 1670 CB GLU A 103 12.831 -3.209 -0.463 1.00 0.00 C ATOM 1671 CG GLU A 103 14.334 -3.354 -0.214 1.00 0.00 C ATOM 1672 CD GLU A 103 14.747 -4.814 -0.412 1.00 0.00 C ATOM 1673 OE1 GLU A 103 14.103 -5.675 0.164 1.00 0.00 O ATOM 1674 OE2 GLU A 103 15.701 -5.046 -1.138 1.00 0.00 O ATOM 0 H GLU A 103 10.348 -2.762 -0.028 1.00 0.00 H new ATOM 0 HA GLU A 103 12.272 -4.853 0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.551 -3.729 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.574 -2.159 -0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.890 -2.712 -0.897 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.578 -3.030 0.798 1.00 0.00 H new ATOM 1681 N ALA A 104 12.447 -3.771 3.112 1.00 0.00 N ATOM 1682 CA ALA A 104 12.851 -3.154 4.407 1.00 0.00 C ATOM 1683 C ALA A 104 14.229 -2.499 4.267 1.00 0.00 C ATOM 1684 O ALA A 104 14.416 -1.353 4.622 1.00 0.00 O ATOM 1685 CB ALA A 104 12.910 -4.235 5.487 1.00 0.00 C ATOM 0 H ALA A 104 12.143 -4.743 3.173 1.00 0.00 H new ATOM 0 HA ALA A 104 12.120 -2.394 4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.205 -3.786 6.435 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.928 -4.696 5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.639 -4.994 5.202 1.00 0.00 H new ATOM 1691 N ASN A 105 15.195 -3.218 3.758 1.00 0.00 N ATOM 1692 CA ASN A 105 16.561 -2.636 3.601 1.00 0.00 C ATOM 1693 C ASN A 105 16.450 -1.203 3.079 1.00 0.00 C ATOM 1694 O ASN A 105 15.487 -0.843 2.434 1.00 0.00 O ATOM 1695 CB ASN A 105 17.363 -3.478 2.608 1.00 0.00 C ATOM 1696 CG ASN A 105 17.546 -4.891 3.168 1.00 0.00 C ATOM 1697 OD1 ASN A 105 18.488 -5.155 3.887 1.00 0.00 O ATOM 1698 ND2 ASN A 105 16.677 -5.816 2.864 1.00 0.00 N ATOM 0 H ASN A 105 15.097 -4.184 3.444 1.00 0.00 H new ATOM 0 HA ASN A 105 17.066 -2.632 4.567 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.846 -3.519 1.649 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.335 -3.018 2.427 1.00 0.00 H new ATOM 0 HD21 ASN A 105 16.789 -6.761 3.231 1.00 0.00 H new ATOM 0 HD22 ASN A 105 15.886 -5.594 2.260 1.00 0.00 H new ATOM 1705 N GLN A 106 17.425 -0.375 3.356 1.00 0.00 N ATOM 1706 CA GLN A 106 17.353 1.032 2.871 1.00 0.00 C ATOM 1707 C GLN A 106 18.758 1.620 2.730 1.00 0.00 C ATOM 1708 O GLN A 106 19.738 1.027 3.136 1.00 0.00 O ATOM 1709 CB GLN A 106 16.547 1.874 3.862 1.00 0.00 C ATOM 1710 CG GLN A 106 15.422 1.024 4.456 1.00 0.00 C ATOM 1711 CD GLN A 106 14.643 1.850 5.481 1.00 0.00 C ATOM 1712 OE1 GLN A 106 14.634 1.534 6.654 1.00 0.00 O ATOM 1713 NE2 GLN A 106 13.983 2.905 5.086 1.00 0.00 N ATOM 0 H GLN A 106 18.260 -0.611 3.892 1.00 0.00 H new ATOM 0 HA GLN A 106 16.866 1.043 1.896 1.00 0.00 H new ATOM 0 HB2 GLN A 106 17.197 2.242 4.656 1.00 0.00 H new ATOM 0 HB3 GLN A 106 16.131 2.747 3.360 1.00 0.00 H new ATOM 0 HG2 GLN A 106 14.754 0.683 3.665 1.00 0.00 H new ATOM 0 HG3 GLN A 106 15.836 0.134 4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 106 13.990 3.172 4.101 1.00 0.00 H new ATOM 0 HE22 GLN A 106 13.461 3.463 5.762 1.00 0.00 H new ATOM 1722 N SER A 107 18.855 2.786 2.153 1.00 0.00 N ATOM 1723 CA SER A 107 20.186 3.432 1.973 1.00 0.00 C ATOM 1724 C SER A 107 19.992 4.950 1.935 1.00 0.00 C ATOM 1725 O SER A 107 18.925 5.447 2.233 1.00 0.00 O ATOM 1726 CB SER A 107 20.806 2.948 0.658 1.00 0.00 C ATOM 1727 OG SER A 107 22.220 2.918 0.782 1.00 0.00 O ATOM 0 H SER A 107 18.064 3.322 1.796 1.00 0.00 H new ATOM 0 HA SER A 107 20.851 3.170 2.796 1.00 0.00 H new ATOM 0 HB2 SER A 107 20.431 1.955 0.411 1.00 0.00 H new ATOM 0 HB3 SER A 107 20.516 3.610 -0.158 1.00 0.00 H new ATOM 0 HG SER A 107 22.616 2.607 -0.059 1.00 0.00 H new ATOM 1733 N THR A 108 20.998 5.698 1.564 1.00 0.00 N ATOM 1734 CA THR A 108 20.827 7.176 1.509 1.00 0.00 C ATOM 1735 C THR A 108 20.339 7.549 0.113 1.00 0.00 C ATOM 1736 O THR A 108 20.730 6.945 -0.864 1.00 0.00 O ATOM 1737 CB THR A 108 22.166 7.860 1.787 1.00 0.00 C ATOM 1738 OG1 THR A 108 23.049 7.631 0.697 1.00 0.00 O ATOM 1739 CG2 THR A 108 22.776 7.290 3.068 1.00 0.00 C ATOM 0 H THR A 108 21.921 5.352 1.300 1.00 0.00 H new ATOM 0 HA THR A 108 20.105 7.500 2.259 1.00 0.00 H new ATOM 0 HB THR A 108 22.008 8.932 1.908 1.00 0.00 H new ATOM 0 HG1 THR A 108 23.907 8.070 0.873 1.00 0.00 H new ATOM 0 HG21 THR A 108 23.730 7.778 3.265 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.099 7.467 3.903 1.00 0.00 H new ATOM 0 HG23 THR A 108 22.934 6.218 2.950 1.00 0.00 H new ATOM 1747 N LEU A 109 19.480 8.523 -0.007 1.00 0.00 N ATOM 1748 CA LEU A 109 18.996 8.883 -1.361 1.00 0.00 C ATOM 1749 C LEU A 109 20.180 9.220 -2.260 1.00 0.00 C ATOM 1750 O LEU A 109 20.122 9.021 -3.448 1.00 0.00 O ATOM 1751 CB LEU A 109 18.040 10.063 -1.316 1.00 0.00 C ATOM 1752 CG LEU A 109 17.140 9.977 -2.552 1.00 0.00 C ATOM 1753 CD1 LEU A 109 15.751 10.468 -2.205 1.00 0.00 C ATOM 1754 CD2 LEU A 109 17.691 10.832 -3.681 1.00 0.00 C ATOM 0 H LEU A 109 19.100 9.075 0.762 1.00 0.00 H new ATOM 0 HA LEU A 109 18.457 8.025 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 109 17.443 10.037 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 109 18.592 11.003 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 109 17.104 8.937 -2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 109 15.112 10.406 -3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 109 15.334 9.849 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 109 15.805 11.503 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 109 17.036 10.755 -4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 109 17.745 11.871 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 109 18.689 10.483 -3.948 1.00 0.00 H new ATOM 1766 N GLU A 110 21.262 9.716 -1.719 1.00 0.00 N ATOM 1767 CA GLU A 110 22.421 10.029 -2.597 1.00 0.00 C ATOM 1768 C GLU A 110 22.679 8.803 -3.467 1.00 0.00 C ATOM 1769 O GLU A 110 22.924 8.903 -4.654 1.00 0.00 O ATOM 1770 CB GLU A 110 23.655 10.327 -1.742 1.00 0.00 C ATOM 1771 CG GLU A 110 24.860 10.568 -2.654 1.00 0.00 C ATOM 1772 CD GLU A 110 25.799 9.363 -2.586 1.00 0.00 C ATOM 1773 OE1 GLU A 110 26.078 8.916 -1.486 1.00 0.00 O ATOM 1774 OE2 GLU A 110 26.223 8.908 -3.637 1.00 0.00 O ATOM 0 H GLU A 110 21.390 9.914 -0.727 1.00 0.00 H new ATOM 0 HA GLU A 110 22.212 10.903 -3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 110 23.476 11.203 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 110 23.855 9.493 -1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 110 24.527 10.726 -3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 110 25.387 11.471 -2.347 1.00 0.00 H new ATOM 1781 N ASN A 111 22.592 7.642 -2.883 1.00 0.00 N ATOM 1782 CA ASN A 111 22.795 6.392 -3.662 1.00 0.00 C ATOM 1783 C ASN A 111 21.601 6.193 -4.598 1.00 0.00 C ATOM 1784 O ASN A 111 21.763 5.909 -5.749 1.00 0.00 O ATOM 1785 CB ASN A 111 22.904 5.184 -2.715 1.00 0.00 C ATOM 1786 CG ASN A 111 23.950 4.208 -3.259 1.00 0.00 C ATOM 1787 OD1 ASN A 111 23.798 3.676 -4.341 1.00 0.00 O ATOM 1788 ND2 ASN A 111 25.014 3.949 -2.549 1.00 0.00 N ATOM 0 H ASN A 111 22.388 7.505 -1.893 1.00 0.00 H new ATOM 0 HA ASN A 111 23.717 6.473 -4.237 1.00 0.00 H new ATOM 0 HB2 ASN A 111 23.184 5.515 -1.715 1.00 0.00 H new ATOM 0 HB3 ASN A 111 21.938 4.688 -2.627 1.00 0.00 H new ATOM 0 HD21 ASN A 111 25.717 3.300 -2.902 1.00 0.00 H new ATOM 0 HD22 ASN A 111 25.142 4.395 -1.641 1.00 0.00 H new ATOM 1795 N PHE A 112 20.400 6.342 -4.115 1.00 0.00 N ATOM 1796 CA PHE A 112 19.210 6.149 -5.008 1.00 0.00 C ATOM 1797 C PHE A 112 19.400 6.947 -6.292 1.00 0.00 C ATOM 1798 O PHE A 112 19.050 6.506 -7.361 1.00 0.00 O ATOM 1799 CB PHE A 112 17.939 6.662 -4.294 1.00 0.00 C ATOM 1800 CG PHE A 112 16.703 6.250 -5.062 1.00 0.00 C ATOM 1801 CD1 PHE A 112 16.679 5.040 -5.766 1.00 0.00 C ATOM 1802 CD2 PHE A 112 15.573 7.081 -5.067 1.00 0.00 C ATOM 1803 CE1 PHE A 112 15.534 4.662 -6.472 1.00 0.00 C ATOM 1804 CE2 PHE A 112 14.429 6.698 -5.775 1.00 0.00 C ATOM 1805 CZ PHE A 112 14.411 5.492 -6.478 1.00 0.00 C ATOM 0 H PHE A 112 20.185 6.587 -3.149 1.00 0.00 H new ATOM 0 HA PHE A 112 19.107 5.089 -5.239 1.00 0.00 H new ATOM 0 HB2 PHE A 112 17.896 6.262 -3.281 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.976 7.748 -4.207 1.00 0.00 H new ATOM 0 HD1 PHE A 112 17.547 4.398 -5.763 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.586 8.015 -4.525 1.00 0.00 H new ATOM 0 HE1 PHE A 112 15.517 3.728 -7.013 1.00 0.00 H new ATOM 0 HE2 PHE A 112 13.558 7.337 -5.778 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.528 5.201 -7.027 1.00 0.00 H new ATOM 1815 N LEU A 113 19.945 8.115 -6.202 1.00 0.00 N ATOM 1816 CA LEU A 113 20.157 8.918 -7.426 1.00 0.00 C ATOM 1817 C LEU A 113 21.286 8.276 -8.256 1.00 0.00 C ATOM 1818 O LEU A 113 21.245 8.273 -9.470 1.00 0.00 O ATOM 1819 CB LEU A 113 20.503 10.363 -7.038 1.00 0.00 C ATOM 1820 CG LEU A 113 19.693 11.326 -7.905 1.00 0.00 C ATOM 1821 CD1 LEU A 113 20.081 11.144 -9.373 1.00 0.00 C ATOM 1822 CD2 LEU A 113 18.201 11.033 -7.730 1.00 0.00 C ATOM 0 H LEU A 113 20.254 8.551 -5.333 1.00 0.00 H new ATOM 0 HA LEU A 113 19.250 8.939 -8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 113 20.283 10.531 -5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 113 21.570 10.543 -7.173 1.00 0.00 H new ATOM 0 HG LEU A 113 19.901 12.352 -7.602 1.00 0.00 H new ATOM 0 HD11 LEU A 113 19.503 11.831 -9.990 1.00 0.00 H new ATOM 0 HD12 LEU A 113 21.144 11.352 -9.497 1.00 0.00 H new ATOM 0 HD13 LEU A 113 19.874 10.119 -9.680 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.621 11.719 -8.347 1.00 0.00 H new ATOM 0 HD22 LEU A 113 17.994 10.007 -8.034 1.00 0.00 H new ATOM 0 HD23 LEU A 113 17.925 11.164 -6.684 1.00 0.00 H new ATOM 1834 N GLU A 114 22.289 7.717 -7.611 1.00 0.00 N ATOM 1835 CA GLU A 114 23.404 7.065 -8.358 1.00 0.00 C ATOM 1836 C GLU A 114 22.908 5.761 -8.997 1.00 0.00 C ATOM 1837 O GLU A 114 23.087 5.512 -10.172 1.00 0.00 O ATOM 1838 CB GLU A 114 24.518 6.744 -7.367 1.00 0.00 C ATOM 1839 CG GLU A 114 25.863 7.208 -7.917 1.00 0.00 C ATOM 1840 CD GLU A 114 26.004 6.768 -9.376 1.00 0.00 C ATOM 1841 OE1 GLU A 114 26.208 5.586 -9.601 1.00 0.00 O ATOM 1842 OE2 GLU A 114 25.906 7.621 -10.244 1.00 0.00 O ATOM 0 H GLU A 114 22.378 7.688 -6.595 1.00 0.00 H new ATOM 0 HA GLU A 114 23.767 7.730 -9.141 1.00 0.00 H new ATOM 0 HB2 GLU A 114 24.319 7.233 -6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 114 24.546 5.671 -7.175 1.00 0.00 H new ATOM 0 HG2 GLU A 114 25.941 8.293 -7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 114 26.674 6.790 -7.321 1.00 0.00 H new ATOM 1849 N ARG A 115 22.291 4.933 -8.202 1.00 0.00 N ATOM 1850 CA ARG A 115 21.765 3.631 -8.679 1.00 0.00 C ATOM 1851 C ARG A 115 20.699 3.865 -9.744 1.00 0.00 C ATOM 1852 O ARG A 115 20.752 3.318 -10.826 1.00 0.00 O ATOM 1853 CB ARG A 115 21.121 2.927 -7.484 1.00 0.00 C ATOM 1854 CG ARG A 115 21.578 1.467 -7.439 1.00 0.00 C ATOM 1855 CD ARG A 115 22.055 1.123 -6.027 1.00 0.00 C ATOM 1856 NE ARG A 115 23.122 0.087 -6.102 1.00 0.00 N ATOM 1857 CZ ARG A 115 24.300 0.398 -6.569 1.00 0.00 C ATOM 1858 NH1 ARG A 115 24.976 1.377 -6.035 1.00 0.00 N ATOM 1859 NH2 ARG A 115 24.801 -0.271 -7.573 1.00 0.00 N ATOM 0 H ARG A 115 22.126 5.114 -7.212 1.00 0.00 H new ATOM 0 HA ARG A 115 22.569 3.031 -9.104 1.00 0.00 H new ATOM 0 HB2 ARG A 115 21.397 3.433 -6.559 1.00 0.00 H new ATOM 0 HB3 ARG A 115 20.035 2.976 -7.562 1.00 0.00 H new ATOM 0 HG2 ARG A 115 20.758 0.809 -7.727 1.00 0.00 H new ATOM 0 HG3 ARG A 115 22.383 1.305 -8.156 1.00 0.00 H new ATOM 0 HD2 ARG A 115 22.435 2.017 -5.532 1.00 0.00 H new ATOM 0 HD3 ARG A 115 21.220 0.758 -5.428 1.00 0.00 H new ATOM 0 HE ARG A 115 22.932 -0.865 -5.789 1.00 0.00 H new ATOM 0 HH11 ARG A 115 24.584 1.900 -5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 115 25.897 1.620 -6.400 1.00 0.00 H new ATOM 0 HH21 ARG A 115 24.271 -1.036 -7.991 1.00 0.00 H new ATOM 0 HH22 ARG A 115 25.722 -0.029 -7.939 1.00 0.00 H new ATOM 1873 N LEU A 116 19.739 4.689 -9.447 1.00 0.00 N ATOM 1874 CA LEU A 116 18.672 4.981 -10.437 1.00 0.00 C ATOM 1875 C LEU A 116 19.341 5.350 -11.770 1.00 0.00 C ATOM 1876 O LEU A 116 18.950 4.875 -12.816 1.00 0.00 O ATOM 1877 CB LEU A 116 17.837 6.169 -9.946 1.00 0.00 C ATOM 1878 CG LEU A 116 16.805 5.681 -8.928 1.00 0.00 C ATOM 1879 CD1 LEU A 116 16.098 6.884 -8.302 1.00 0.00 C ATOM 1880 CD2 LEU A 116 15.775 4.796 -9.633 1.00 0.00 C ATOM 0 H LEU A 116 19.647 5.176 -8.555 1.00 0.00 H new ATOM 0 HA LEU A 116 18.025 4.113 -10.564 1.00 0.00 H new ATOM 0 HB2 LEU A 116 18.484 6.919 -9.492 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.336 6.647 -10.787 1.00 0.00 H new ATOM 0 HG LEU A 116 17.306 5.108 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 116 15.362 6.537 -7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 116 16.831 7.517 -7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 116 15.596 7.457 -9.082 1.00 0.00 H new ATOM 0 HD21 LEU A 116 15.039 4.447 -8.909 1.00 0.00 H new ATOM 0 HD22 LEU A 116 15.274 5.371 -10.412 1.00 0.00 H new ATOM 0 HD23 LEU A 116 16.278 3.939 -10.081 1.00 0.00 H new ATOM 1892 N LYS A 117 20.354 6.199 -11.746 1.00 0.00 N ATOM 1893 CA LYS A 117 21.027 6.580 -13.021 1.00 0.00 C ATOM 1894 C LYS A 117 21.788 5.379 -13.596 1.00 0.00 C ATOM 1895 O LYS A 117 21.957 5.261 -14.794 1.00 0.00 O ATOM 1896 CB LYS A 117 22.011 7.721 -12.755 1.00 0.00 C ATOM 1897 CG LYS A 117 22.537 8.262 -14.085 1.00 0.00 C ATOM 1898 CD LYS A 117 23.485 9.432 -13.822 1.00 0.00 C ATOM 1899 CE LYS A 117 24.291 9.733 -15.085 1.00 0.00 C ATOM 1900 NZ LYS A 117 25.428 10.637 -14.747 1.00 0.00 N ATOM 0 H LYS A 117 20.733 6.634 -10.905 1.00 0.00 H new ATOM 0 HA LYS A 117 20.272 6.901 -13.739 1.00 0.00 H new ATOM 0 HB2 LYS A 117 21.519 8.517 -12.196 1.00 0.00 H new ATOM 0 HB3 LYS A 117 22.839 7.366 -12.142 1.00 0.00 H new ATOM 0 HG2 LYS A 117 23.057 7.474 -14.630 1.00 0.00 H new ATOM 0 HG3 LYS A 117 21.706 8.587 -14.711 1.00 0.00 H new ATOM 0 HD2 LYS A 117 22.917 10.313 -13.522 1.00 0.00 H new ATOM 0 HD3 LYS A 117 24.157 9.191 -12.999 1.00 0.00 H new ATOM 0 HE2 LYS A 117 24.666 8.806 -15.519 1.00 0.00 H new ATOM 0 HE3 LYS A 117 23.652 10.200 -15.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 25.976 10.842 -15.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 25.059 11.526 -14.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 26.042 10.175 -14.046 1.00 0.00 H new ATOM 1914 N THR A 118 22.258 4.495 -12.759 1.00 0.00 N ATOM 1915 CA THR A 118 23.017 3.315 -13.266 1.00 0.00 C ATOM 1916 C THR A 118 22.099 2.417 -14.100 1.00 0.00 C ATOM 1917 O THR A 118 22.449 1.995 -15.183 1.00 0.00 O ATOM 1918 CB THR A 118 23.566 2.520 -12.080 1.00 0.00 C ATOM 1919 OG1 THR A 118 23.733 3.385 -10.966 1.00 0.00 O ATOM 1920 CG2 THR A 118 24.917 1.905 -12.458 1.00 0.00 C ATOM 0 H THR A 118 22.150 4.538 -11.746 1.00 0.00 H new ATOM 0 HA THR A 118 23.839 3.661 -13.892 1.00 0.00 H new ATOM 0 HB THR A 118 22.866 1.726 -11.820 1.00 0.00 H new ATOM 0 HG1 THR A 118 23.820 4.309 -11.280 1.00 0.00 H new ATOM 0 HG21 THR A 118 25.308 1.339 -11.613 1.00 0.00 H new ATOM 0 HG22 THR A 118 24.788 1.240 -13.312 1.00 0.00 H new ATOM 0 HG23 THR A 118 25.618 2.698 -12.719 1.00 0.00 H new ATOM 1928 N ILE A 119 20.931 2.115 -13.603 1.00 0.00 N ATOM 1929 CA ILE A 119 20.003 1.237 -14.368 1.00 0.00 C ATOM 1930 C ILE A 119 19.717 1.847 -15.739 1.00 0.00 C ATOM 1931 O ILE A 119 19.825 1.191 -16.751 1.00 0.00 O ATOM 1932 CB ILE A 119 18.706 1.081 -13.598 1.00 0.00 C ATOM 1933 CG1 ILE A 119 18.985 0.384 -12.266 1.00 0.00 C ATOM 1934 CG2 ILE A 119 17.718 0.248 -14.417 1.00 0.00 C ATOM 1935 CD1 ILE A 119 19.038 1.425 -11.147 1.00 0.00 C ATOM 0 H ILE A 119 20.580 2.438 -12.701 1.00 0.00 H new ATOM 0 HA ILE A 119 20.466 0.260 -14.505 1.00 0.00 H new ATOM 0 HB ILE A 119 18.276 2.065 -13.410 1.00 0.00 H new ATOM 0 HG12 ILE A 119 18.207 -0.350 -12.058 1.00 0.00 H new ATOM 0 HG13 ILE A 119 19.929 -0.158 -12.318 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.787 0.138 -13.861 1.00 0.00 H new ATOM 0 HG22 ILE A 119 17.518 0.749 -15.364 1.00 0.00 H new ATOM 0 HG23 ILE A 119 18.144 -0.736 -14.610 1.00 0.00 H new ATOM 0 HD11 ILE A 119 19.237 0.928 -10.197 1.00 0.00 H new ATOM 0 HD12 ILE A 119 19.832 2.142 -11.355 1.00 0.00 H new ATOM 0 HD13 ILE A 119 18.083 1.947 -11.090 1.00 0.00 H new ATOM 1947 N MET A 120 19.349 3.098 -15.781 1.00 0.00 N ATOM 1948 CA MET A 120 19.056 3.749 -17.091 1.00 0.00 C ATOM 1949 C MET A 120 20.312 3.770 -17.948 1.00 0.00 C ATOM 1950 O MET A 120 20.249 3.671 -19.150 1.00 0.00 O ATOM 1951 CB MET A 120 18.585 5.180 -16.844 1.00 0.00 C ATOM 1952 CG MET A 120 17.174 5.154 -16.255 1.00 0.00 C ATOM 1953 SD MET A 120 17.172 5.917 -14.618 1.00 0.00 S ATOM 1954 CE MET A 120 15.465 5.497 -14.188 1.00 0.00 C ATOM 0 H MET A 120 19.238 3.699 -14.964 1.00 0.00 H new ATOM 0 HA MET A 120 18.278 3.188 -17.610 1.00 0.00 H new ATOM 0 HB2 MET A 120 19.267 5.687 -16.161 1.00 0.00 H new ATOM 0 HB3 MET A 120 18.591 5.743 -17.777 1.00 0.00 H new ATOM 0 HG2 MET A 120 16.487 5.685 -16.913 1.00 0.00 H new ATOM 0 HG3 MET A 120 16.819 4.126 -16.186 1.00 0.00 H new ATOM 0 HE1 MET A 120 14.871 6.409 -14.126 1.00 0.00 H new ATOM 0 HE2 MET A 120 15.048 4.843 -14.953 1.00 0.00 H new ATOM 0 HE3 MET A 120 15.447 4.987 -13.225 1.00 0.00 H new ATOM 1964 N ARG A 121 21.452 3.890 -17.345 1.00 0.00 N ATOM 1965 CA ARG A 121 22.704 3.893 -18.146 1.00 0.00 C ATOM 1966 C ARG A 121 22.821 2.538 -18.842 1.00 0.00 C ATOM 1967 O ARG A 121 23.263 2.431 -19.969 1.00 0.00 O ATOM 1968 CB ARG A 121 23.900 4.085 -17.217 1.00 0.00 C ATOM 1969 CG ARG A 121 24.540 5.451 -17.479 1.00 0.00 C ATOM 1970 CD ARG A 121 25.201 5.449 -18.857 1.00 0.00 C ATOM 1971 NE ARG A 121 26.385 4.544 -18.838 1.00 0.00 N ATOM 1972 CZ ARG A 121 26.550 3.666 -19.788 1.00 0.00 C ATOM 1973 NH1 ARG A 121 26.683 4.061 -21.025 1.00 0.00 N ATOM 1974 NH2 ARG A 121 26.582 2.393 -19.503 1.00 0.00 N ATOM 0 H ARG A 121 21.575 3.986 -16.337 1.00 0.00 H new ATOM 0 HA ARG A 121 22.685 4.700 -18.878 1.00 0.00 H new ATOM 0 HB2 ARG A 121 23.580 4.015 -16.177 1.00 0.00 H new ATOM 0 HB3 ARG A 121 24.631 3.293 -17.380 1.00 0.00 H new ATOM 0 HG2 ARG A 121 23.784 6.234 -17.428 1.00 0.00 H new ATOM 0 HG3 ARG A 121 25.280 5.671 -16.709 1.00 0.00 H new ATOM 0 HD2 ARG A 121 24.489 5.118 -19.613 1.00 0.00 H new ATOM 0 HD3 ARG A 121 25.507 6.460 -19.127 1.00 0.00 H new ATOM 0 HE ARG A 121 27.066 4.611 -18.082 1.00 0.00 H new ATOM 0 HH11 ARG A 121 26.658 5.056 -21.248 1.00 0.00 H new ATOM 0 HH12 ARG A 121 26.812 3.375 -21.768 1.00 0.00 H new ATOM 0 HH21 ARG A 121 26.478 2.084 -18.537 1.00 0.00 H new ATOM 0 HH22 ARG A 121 26.711 1.707 -20.247 1.00 0.00 H new ATOM 1988 N GLU A 122 22.425 1.503 -18.157 1.00 0.00 N ATOM 1989 CA GLU A 122 22.498 0.129 -18.735 1.00 0.00 C ATOM 1990 C GLU A 122 21.466 -0.036 -19.856 1.00 0.00 C ATOM 1991 O GLU A 122 21.785 -0.483 -20.939 1.00 0.00 O ATOM 1992 CB GLU A 122 22.179 -0.893 -17.634 1.00 0.00 C ATOM 1993 CG GLU A 122 23.284 -0.924 -16.562 1.00 0.00 C ATOM 1994 CD GLU A 122 22.707 -1.490 -15.263 1.00 0.00 C ATOM 1995 OE1 GLU A 122 22.516 -2.694 -15.199 1.00 0.00 O ATOM 1996 OE2 GLU A 122 22.466 -0.712 -14.356 1.00 0.00 O ATOM 0 H GLU A 122 22.049 1.549 -17.210 1.00 0.00 H new ATOM 0 HA GLU A 122 23.499 -0.030 -19.136 1.00 0.00 H new ATOM 0 HB2 GLU A 122 21.225 -0.644 -17.169 1.00 0.00 H new ATOM 0 HB3 GLU A 122 22.069 -1.884 -18.075 1.00 0.00 H new ATOM 0 HG2 GLU A 122 24.119 -1.537 -16.901 1.00 0.00 H new ATOM 0 HG3 GLU A 122 23.673 0.080 -16.394 1.00 0.00 H new ATOM 2003 N LYS A 123 20.231 0.303 -19.606 1.00 0.00 N ATOM 2004 CA LYS A 123 19.192 0.142 -20.665 1.00 0.00 C ATOM 2005 C LYS A 123 19.519 1.063 -21.837 1.00 0.00 C ATOM 2006 O LYS A 123 19.204 0.781 -22.975 1.00 0.00 O ATOM 2007 CB LYS A 123 17.820 0.509 -20.095 1.00 0.00 C ATOM 2008 CG LYS A 123 16.753 0.329 -21.176 1.00 0.00 C ATOM 2009 CD LYS A 123 16.465 -1.161 -21.367 1.00 0.00 C ATOM 2010 CE LYS A 123 15.136 -1.515 -20.697 1.00 0.00 C ATOM 2011 NZ LYS A 123 15.126 -2.964 -20.349 1.00 0.00 N ATOM 0 H LYS A 123 19.897 0.682 -18.720 1.00 0.00 H new ATOM 0 HA LYS A 123 19.177 -0.893 -21.007 1.00 0.00 H new ATOM 0 HB2 LYS A 123 17.591 -0.121 -19.235 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.825 1.540 -19.742 1.00 0.00 H new ATOM 0 HG2 LYS A 123 15.840 0.853 -20.892 1.00 0.00 H new ATOM 0 HG3 LYS A 123 17.093 0.767 -22.114 1.00 0.00 H new ATOM 0 HD2 LYS A 123 16.424 -1.401 -22.429 1.00 0.00 H new ATOM 0 HD3 LYS A 123 17.271 -1.756 -20.937 1.00 0.00 H new ATOM 0 HE2 LYS A 123 14.998 -0.913 -19.799 1.00 0.00 H new ATOM 0 HE3 LYS A 123 14.307 -1.285 -21.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 14.223 -3.205 -19.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 15.239 -3.530 -21.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 15.909 -3.170 -19.696 1.00 0.00 H new ATOM 2025 N TYR A 124 20.148 2.163 -21.557 1.00 0.00 N ATOM 2026 CA TYR A 124 20.509 3.125 -22.633 1.00 0.00 C ATOM 2027 C TYR A 124 21.625 2.536 -23.501 1.00 0.00 C ATOM 2028 O TYR A 124 21.720 2.813 -24.680 1.00 0.00 O ATOM 2029 CB TYR A 124 20.980 4.436 -21.997 1.00 0.00 C ATOM 2030 CG TYR A 124 21.079 5.501 -23.057 1.00 0.00 C ATOM 2031 CD1 TYR A 124 19.958 5.824 -23.831 1.00 0.00 C ATOM 2032 CD2 TYR A 124 22.292 6.163 -23.270 1.00 0.00 C ATOM 2033 CE1 TYR A 124 20.052 6.812 -24.819 1.00 0.00 C ATOM 2034 CE2 TYR A 124 22.387 7.149 -24.258 1.00 0.00 C ATOM 2035 CZ TYR A 124 21.266 7.475 -25.033 1.00 0.00 C ATOM 2036 OH TYR A 124 21.360 8.449 -26.007 1.00 0.00 O ATOM 0 H TYR A 124 20.432 2.443 -20.618 1.00 0.00 H new ATOM 0 HA TYR A 124 19.638 3.317 -23.260 1.00 0.00 H new ATOM 0 HB2 TYR A 124 20.283 4.746 -21.219 1.00 0.00 H new ATOM 0 HB3 TYR A 124 21.949 4.293 -21.518 1.00 0.00 H new ATOM 0 HD1 TYR A 124 19.022 5.312 -23.666 1.00 0.00 H new ATOM 0 HD2 TYR A 124 23.156 5.913 -22.672 1.00 0.00 H new ATOM 0 HE1 TYR A 124 19.188 7.062 -25.416 1.00 0.00 H new ATOM 0 HE2 TYR A 124 23.325 7.659 -24.423 1.00 0.00 H new ATOM 0 HH TYR A 124 22.271 8.809 -26.023 1.00 0.00 H new ATOM 2046 N SER A 125 22.475 1.728 -22.924 1.00 0.00 N ATOM 2047 CA SER A 125 23.588 1.126 -23.713 1.00 0.00 C ATOM 2048 C SER A 125 23.078 -0.086 -24.490 1.00 0.00 C ATOM 2049 O SER A 125 22.833 -0.017 -25.679 1.00 0.00 O ATOM 2050 CB SER A 125 24.705 0.686 -22.762 1.00 0.00 C ATOM 2051 OG SER A 125 25.902 1.382 -23.085 1.00 0.00 O ATOM 0 H SER A 125 22.446 1.459 -21.940 1.00 0.00 H new ATOM 0 HA SER A 125 23.972 1.867 -24.415 1.00 0.00 H new ATOM 0 HB2 SER A 125 24.420 0.890 -21.730 1.00 0.00 H new ATOM 0 HB3 SER A 125 24.864 -0.389 -22.843 1.00 0.00 H new ATOM 0 HG SER A 125 26.617 1.103 -22.476 1.00 0.00 H new ATOM 2057 N LYS A 126 22.924 -1.196 -23.826 1.00 0.00 N ATOM 2058 CA LYS A 126 22.435 -2.427 -24.516 1.00 0.00 C ATOM 2059 C LYS A 126 21.310 -2.062 -25.486 1.00 0.00 C ATOM 2060 O LYS A 126 21.100 -2.723 -26.485 1.00 0.00 O ATOM 2061 CB LYS A 126 21.908 -3.417 -23.475 1.00 0.00 C ATOM 2062 CG LYS A 126 23.081 -4.183 -22.861 1.00 0.00 C ATOM 2063 CD LYS A 126 23.362 -3.646 -21.457 1.00 0.00 C ATOM 2064 CE LYS A 126 24.760 -3.027 -21.417 1.00 0.00 C ATOM 2065 NZ LYS A 126 24.982 -2.388 -20.088 1.00 0.00 N ATOM 0 H LYS A 126 23.116 -1.307 -22.830 1.00 0.00 H new ATOM 0 HA LYS A 126 23.256 -2.881 -25.071 1.00 0.00 H new ATOM 0 HB2 LYS A 126 21.360 -2.886 -22.697 1.00 0.00 H new ATOM 0 HB3 LYS A 126 21.209 -4.112 -23.940 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.850 -5.247 -22.815 1.00 0.00 H new ATOM 0 HG3 LYS A 126 23.967 -4.076 -23.487 1.00 0.00 H new ATOM 0 HD2 LYS A 126 22.615 -2.900 -21.185 1.00 0.00 H new ATOM 0 HD3 LYS A 126 23.289 -4.452 -20.727 1.00 0.00 H new ATOM 0 HE2 LYS A 126 25.514 -3.794 -21.595 1.00 0.00 H new ATOM 0 HE3 LYS A 126 24.865 -2.287 -22.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 25.644 -1.592 -20.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 24.076 -2.039 -19.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 25.381 -3.087 -19.429 1.00 0.00 H new ATOM 2079 N CYS A 127 20.588 -1.014 -25.205 1.00 0.00 N ATOM 2080 CA CYS A 127 19.481 -0.607 -26.118 1.00 0.00 C ATOM 2081 C CYS A 127 20.074 -0.115 -27.441 1.00 0.00 C ATOM 2082 O CYS A 127 19.699 -0.563 -28.504 1.00 0.00 O ATOM 2083 CB CYS A 127 18.662 0.515 -25.467 1.00 0.00 C ATOM 2084 SG CYS A 127 17.554 1.255 -26.689 1.00 0.00 S ATOM 0 H CYS A 127 20.715 -0.422 -24.384 1.00 0.00 H new ATOM 0 HA CYS A 127 18.829 -1.460 -26.307 1.00 0.00 H new ATOM 0 HB2 CYS A 127 18.084 0.118 -24.632 1.00 0.00 H new ATOM 0 HB3 CYS A 127 19.329 1.275 -25.060 1.00 0.00 H new ATOM 2089 N SER A 128 20.998 0.805 -27.381 1.00 0.00 N ATOM 2090 CA SER A 128 21.616 1.322 -28.635 1.00 0.00 C ATOM 2091 C SER A 128 22.348 0.183 -29.348 1.00 0.00 C ATOM 2092 O SER A 128 23.157 -0.509 -28.765 1.00 0.00 O ATOM 2093 CB SER A 128 22.611 2.433 -28.294 1.00 0.00 C ATOM 2094 OG SER A 128 22.976 3.123 -29.479 1.00 0.00 O ATOM 0 H SER A 128 21.351 1.220 -26.519 1.00 0.00 H new ATOM 0 HA SER A 128 20.838 1.720 -29.287 1.00 0.00 H new ATOM 0 HB2 SER A 128 22.167 3.126 -27.579 1.00 0.00 H new ATOM 0 HB3 SER A 128 23.496 2.010 -27.820 1.00 0.00 H new ATOM 0 HG SER A 128 23.612 3.836 -29.260 1.00 0.00 H new ATOM 2100 N SER A 129 22.069 -0.017 -30.607 1.00 0.00 N ATOM 2101 CA SER A 129 22.749 -1.113 -31.354 1.00 0.00 C ATOM 2102 C SER A 129 24.244 -0.802 -31.466 1.00 0.00 C ATOM 2103 O SER A 129 24.614 0.332 -31.214 1.00 0.00 O ATOM 2104 CB SER A 129 22.145 -1.227 -32.755 1.00 0.00 C ATOM 2105 OG SER A 129 22.872 -2.186 -33.507 1.00 0.00 O ATOM 2106 OXT SER A 129 24.992 -1.705 -31.803 1.00 0.00 O ATOM 0 H SER A 129 21.401 0.530 -31.150 1.00 0.00 H new ATOM 0 HA SER A 129 22.612 -2.055 -30.822 1.00 0.00 H new ATOM 0 HB2 SER A 129 21.097 -1.520 -32.688 1.00 0.00 H new ATOM 0 HB3 SER A 129 22.174 -0.259 -33.255 1.00 0.00 H new ATOM 0 HG SER A 129 23.711 -2.395 -33.046 1.00 0.00 H new TER 2112 SER A 129