USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 825 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 69 TYR OH : rot 32:sc= 0.452 USER MOD Set 1.2: A 73 SER OG : rot 165:sc= 0.78 USER MOD Set 2.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 33 ASN : amide:sc= -0.0801 X(o=-0.08,f=-0.015) USER MOD Set 3.1: A 10 MET CE :methyl 165:sc= -0.3 (180deg=-0.976) USER MOD Set 3.2: A 24 TYR OH : rot 24:sc= 1.3 USER MOD Set 4.1: A 1 MET CE :methyl -174:sc= -1.53 (180deg=-1.81) USER MOD Set 4.2: A 4 MET CE :methyl 179:sc= -0.238 (180deg=-0.145) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ -161:sc= 0.4 (180deg=-0.412!) USER MOD Single : A 9 SER OG : rot 44:sc= 0.488 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 59:sc= 1.05 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0206 USER MOD Single : A 22 CYS SG : rot -69:sc= 1.04 USER MOD Single : A 23 LYS NZ :NH3+ 171:sc=-0.00349 (180deg=-0.0946) USER MOD Single : A 36 LYS NZ :NH3+ -135:sc= 0.656 (180deg=-1.47) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0509 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.062 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.75 K(o=0.75,f=-2.8!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -140:sc= 1.24 (180deg=-0.0518) USER MOD Single : A 49 LYS NZ :NH3+ -114:sc= 1.3 (180deg=0.0891) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot -140:sc= -0.0609 USER MOD Single : A 62 LYS NZ :NH3+ 170:sc= 1.22 (180deg=1.12) USER MOD Single : A 63 ASN : amide:sc= -0.0024 X(o=-0.0024,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.877 K(o=0.88,f=-0.79) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= 0.209 (180deg=0.137) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0.0785 K(o=0.079,f=-1.4) USER MOD Single : A 88 LYS NZ :NH3+ -171:sc= -0.757! (180deg=-1!) USER MOD Single : A 89 ASN : amide:sc= 0.756 K(o=0.76,f=-7.2!) USER MOD Single : A 91 SER OG : rot 29:sc= 0.245 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N MET A 1 16.411 -1.183 6.725 1.00 0.00 N ATOM 26 CA MET A 1 15.089 -1.788 6.883 1.00 0.00 C ATOM 27 C MET A 1 14.950 -3.288 6.571 1.00 0.00 C ATOM 28 O MET A 1 15.194 -3.772 5.465 1.00 0.00 O ATOM 29 CB MET A 1 14.009 -1.071 6.073 1.00 0.00 C ATOM 30 CG MET A 1 12.678 -1.353 6.785 1.00 0.00 C ATOM 31 SD MET A 1 11.572 -2.525 6.007 1.00 0.00 S ATOM 32 CE MET A 1 10.322 -2.477 7.320 1.00 0.00 C ATOM 0 H1 MET A 1 16.362 -0.173 6.967 1.00 0.00 H new ATOM 0 H2 MET A 1 17.088 -1.658 7.356 1.00 0.00 H new ATOM 0 H3 MET A 1 16.725 -1.288 5.739 1.00 0.00 H new ATOM 0 HA MET A 1 14.952 -1.670 7.958 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.205 0.000 6.026 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.986 -1.437 5.046 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.901 -1.713 7.789 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.146 -0.408 6.896 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.553 -3.223 7.118 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.793 -2.692 8.279 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.867 -1.487 7.353 1.00 0.00 H new ATOM 42 N ILE A 2 14.363 -3.999 7.527 1.00 0.00 N ATOM 43 CA ILE A 2 13.992 -5.394 7.378 1.00 0.00 C ATOM 44 C ILE A 2 12.484 -5.555 7.590 1.00 0.00 C ATOM 45 O ILE A 2 11.896 -4.887 8.446 1.00 0.00 O ATOM 46 CB ILE A 2 14.814 -6.216 8.383 1.00 0.00 C ATOM 47 CG1 ILE A 2 16.337 -6.022 8.222 1.00 0.00 C ATOM 48 CG2 ILE A 2 14.445 -7.688 8.261 1.00 0.00 C ATOM 49 CD1 ILE A 2 16.929 -6.490 6.887 1.00 0.00 C ATOM 0 H ILE A 2 14.129 -3.612 8.441 1.00 0.00 H new ATOM 0 HA ILE A 2 14.210 -5.755 6.373 1.00 0.00 H new ATOM 0 HB ILE A 2 14.565 -5.852 9.380 1.00 0.00 H new ATOM 0 HG12 ILE A 2 16.565 -4.964 8.349 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.840 -6.555 9.029 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.029 -8.270 8.974 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.383 -7.816 8.471 1.00 0.00 H new ATOM 0 HG23 ILE A 2 14.659 -8.034 7.250 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.004 -6.307 6.881 1.00 0.00 H new ATOM 0 HD12 ILE A 2 16.742 -7.556 6.760 1.00 0.00 H new ATOM 0 HD13 ILE A 2 16.463 -5.940 6.070 1.00 0.00 H new ATOM 61 N ASN A 3 11.901 -6.523 6.880 1.00 0.00 N ATOM 62 CA ASN A 3 10.553 -7.062 7.021 1.00 0.00 C ATOM 63 C ASN A 3 9.478 -6.006 6.753 1.00 0.00 C ATOM 64 O ASN A 3 8.649 -5.752 7.629 1.00 0.00 O ATOM 65 CB ASN A 3 10.392 -7.797 8.371 1.00 0.00 C ATOM 66 CG ASN A 3 9.175 -8.720 8.403 1.00 0.00 C ATOM 67 OD1 ASN A 3 9.235 -9.846 7.918 1.00 0.00 O ATOM 68 ND2 ASN A 3 8.094 -8.353 9.064 1.00 0.00 N ATOM 0 H ASN A 3 12.407 -6.988 6.127 1.00 0.00 H new ATOM 0 HA ASN A 3 10.402 -7.814 6.246 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.290 -8.381 8.570 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.306 -7.062 9.171 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.315 -9.003 9.169 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.037 -7.419 9.470 1.00 0.00 H new ATOM 75 N MET A 4 9.477 -5.366 5.573 1.00 0.00 N ATOM 76 CA MET A 4 8.367 -4.499 5.147 1.00 0.00 C ATOM 77 C MET A 4 7.273 -5.331 4.531 1.00 0.00 C ATOM 78 O MET A 4 7.587 -6.282 3.803 1.00 0.00 O ATOM 79 CB MET A 4 8.775 -3.484 4.070 1.00 0.00 C ATOM 80 CG MET A 4 7.793 -2.325 3.900 1.00 0.00 C ATOM 81 SD MET A 4 7.383 -1.417 5.409 1.00 0.00 S ATOM 82 CE MET A 4 8.608 -0.083 5.306 1.00 0.00 C ATOM 0 H MET A 4 10.236 -5.433 4.895 1.00 0.00 H new ATOM 0 HA MET A 4 8.045 -3.973 6.046 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.756 -3.081 4.319 1.00 0.00 H new ATOM 0 HB3 MET A 4 8.876 -4.003 3.117 1.00 0.00 H new ATOM 0 HG2 MET A 4 8.209 -1.623 3.177 1.00 0.00 H new ATOM 0 HG3 MET A 4 6.870 -2.715 3.470 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.487 0.589 6.156 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.611 -0.509 5.320 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.463 0.474 4.380 1.00 0.00 H new ATOM 92 N LYS A 5 6.026 -4.872 4.672 1.00 0.00 N ATOM 93 CA LYS A 5 4.971 -5.188 3.739 1.00 0.00 C ATOM 94 C LYS A 5 4.087 -3.951 3.569 1.00 0.00 C ATOM 95 O LYS A 5 3.663 -3.371 4.551 1.00 0.00 O ATOM 96 CB LYS A 5 4.168 -6.373 4.276 1.00 0.00 C ATOM 97 CG LYS A 5 4.891 -7.702 4.026 1.00 0.00 C ATOM 98 CD LYS A 5 4.150 -8.947 4.503 1.00 0.00 C ATOM 99 CE LYS A 5 3.201 -9.471 3.426 1.00 0.00 C ATOM 100 NZ LYS A 5 2.664 -10.792 3.801 1.00 0.00 N ATOM 0 H LYS A 5 5.732 -4.271 5.442 1.00 0.00 H new ATOM 0 HA LYS A 5 5.379 -5.465 2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.000 -6.245 5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.188 -6.396 3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.079 -7.799 2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.863 -7.666 4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.869 -9.723 4.767 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.586 -8.714 5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.381 -8.767 3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.728 -9.544 2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.295 -11.270 2.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.421 -11.368 4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.896 -10.671 4.492 1.00 0.00 H new ATOM 114 N VAL A 6 3.737 -3.548 2.359 1.00 0.00 N ATOM 115 CA VAL A 6 2.829 -2.462 1.987 1.00 0.00 C ATOM 116 C VAL A 6 1.801 -3.040 0.981 1.00 0.00 C ATOM 117 O VAL A 6 2.050 -4.115 0.421 1.00 0.00 O ATOM 118 CB VAL A 6 3.704 -1.345 1.386 1.00 0.00 C ATOM 119 CG1 VAL A 6 4.064 -1.761 0.036 1.00 0.00 C ATOM 120 CG2 VAL A 6 3.217 0.057 1.086 1.00 0.00 C ATOM 0 H VAL A 6 4.113 -4.012 1.532 1.00 0.00 H new ATOM 0 HA VAL A 6 2.269 -2.046 2.824 1.00 0.00 H new ATOM 0 HB VAL A 6 4.419 -1.251 2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.686 -0.995 -0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.616 -2.700 0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.159 -1.900 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.034 0.644 0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.398 0.012 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.868 0.525 2.006 1.00 0.00 H new ATOM 130 N ALA A 7 0.701 -2.333 0.703 1.00 0.00 N ATOM 131 CA ALA A 7 -0.243 -2.624 -0.378 1.00 0.00 C ATOM 132 C ALA A 7 -0.439 -1.373 -1.246 1.00 0.00 C ATOM 133 O ALA A 7 -1.032 -0.402 -0.774 1.00 0.00 O ATOM 134 CB ALA A 7 -1.562 -3.100 0.246 1.00 0.00 C ATOM 0 H ALA A 7 0.435 -1.512 1.246 1.00 0.00 H new ATOM 0 HA ALA A 7 0.140 -3.412 -1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.279 -3.322 -0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.382 -3.999 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.963 -2.318 0.890 1.00 0.00 H new ATOM 140 N ILE A 8 0.047 -1.360 -2.495 1.00 0.00 N ATOM 141 CA ILE A 8 -0.143 -0.235 -3.427 1.00 0.00 C ATOM 142 C ILE A 8 -1.367 -0.519 -4.307 1.00 0.00 C ATOM 143 O ILE A 8 -1.378 -1.536 -4.994 1.00 0.00 O ATOM 144 CB ILE A 8 1.107 0.002 -4.314 1.00 0.00 C ATOM 145 CG1 ILE A 8 2.405 0.076 -3.482 1.00 0.00 C ATOM 146 CG2 ILE A 8 0.907 1.281 -5.157 1.00 0.00 C ATOM 147 CD1 ILE A 8 3.654 0.445 -4.298 1.00 0.00 C ATOM 0 H ILE A 8 0.585 -2.131 -2.891 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.299 0.672 -2.843 1.00 0.00 H new ATOM 0 HB ILE A 8 1.219 -0.852 -4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.273 0.811 -2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.571 -0.888 -3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.786 1.447 -5.780 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.029 1.165 -5.792 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.765 2.135 -4.495 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.522 0.476 -3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.814 -0.302 -5.076 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.512 1.423 -4.758 1.00 0.00 H new ATOM 159 N SER A 9 -2.368 0.364 -4.310 1.00 0.00 N ATOM 160 CA SER A 9 -3.582 0.256 -5.116 1.00 0.00 C ATOM 161 C SER A 9 -3.257 0.527 -6.591 1.00 0.00 C ATOM 162 O SER A 9 -3.171 1.700 -6.982 1.00 0.00 O ATOM 163 CB SER A 9 -4.622 1.256 -4.578 1.00 0.00 C ATOM 164 OG SER A 9 -4.069 2.562 -4.498 1.00 0.00 O ATOM 0 H SER A 9 -2.353 1.203 -3.730 1.00 0.00 H new ATOM 0 HA SER A 9 -3.993 -0.751 -5.049 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.496 1.265 -5.229 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.963 0.939 -3.592 1.00 0.00 H new ATOM 0 HG SER A 9 -3.558 2.751 -5.312 1.00 0.00 H new ATOM 170 N MET A 10 -3.058 -0.504 -7.410 1.00 0.00 N ATOM 171 CA MET A 10 -2.682 -0.377 -8.817 1.00 0.00 C ATOM 172 C MET A 10 -3.888 -0.626 -9.720 1.00 0.00 C ATOM 173 O MET A 10 -4.835 -1.322 -9.344 1.00 0.00 O ATOM 174 CB MET A 10 -1.560 -1.362 -9.170 1.00 0.00 C ATOM 175 CG MET A 10 -0.289 -1.136 -8.339 1.00 0.00 C ATOM 176 SD MET A 10 1.300 -1.629 -9.073 1.00 0.00 S ATOM 177 CE MET A 10 1.325 -0.755 -10.657 1.00 0.00 C ATOM 0 H MET A 10 -3.156 -1.473 -7.107 1.00 0.00 H new ATOM 0 HA MET A 10 -2.322 0.639 -8.978 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.914 -2.381 -9.014 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.319 -1.267 -10.229 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.231 -0.075 -8.096 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.404 -1.673 -7.397 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.337 -0.764 -11.062 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.650 -1.249 -11.356 1.00 0.00 H new ATOM 0 HE3 MET A 10 1.003 0.276 -10.509 1.00 0.00 H new ATOM 187 N ASP A 11 -3.844 -0.056 -10.924 1.00 0.00 N ATOM 188 CA ASP A 11 -4.834 -0.281 -11.979 1.00 0.00 C ATOM 189 C ASP A 11 -4.275 -1.335 -12.930 1.00 0.00 C ATOM 190 O ASP A 11 -4.821 -2.431 -13.069 1.00 0.00 O ATOM 191 CB ASP A 11 -5.150 1.037 -12.712 1.00 0.00 C ATOM 192 CG ASP A 11 -6.652 1.194 -12.926 1.00 0.00 C ATOM 193 OD1 ASP A 11 -7.336 1.612 -11.960 1.00 0.00 O ATOM 194 OD2 ASP A 11 -7.157 0.907 -14.029 1.00 0.00 O ATOM 0 H ASP A 11 -3.104 0.589 -11.200 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.773 -0.638 -11.555 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.771 1.879 -12.133 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.638 1.055 -13.674 1.00 0.00 H new ATOM 199 N VAL A 12 -3.136 -1.026 -13.554 1.00 0.00 N ATOM 200 CA VAL A 12 -2.447 -1.901 -14.479 1.00 0.00 C ATOM 201 C VAL A 12 -0.972 -1.689 -14.183 1.00 0.00 C ATOM 202 O VAL A 12 -0.369 -2.539 -13.534 1.00 0.00 O ATOM 203 CB VAL A 12 -2.856 -1.611 -15.941 1.00 0.00 C ATOM 204 CG1 VAL A 12 -2.103 -2.542 -16.897 1.00 0.00 C ATOM 205 CG2 VAL A 12 -4.370 -1.787 -16.140 1.00 0.00 C ATOM 0 H VAL A 12 -2.662 -0.133 -13.420 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.707 -2.952 -14.352 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.595 -0.576 -16.160 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.400 -2.327 -17.923 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.030 -2.384 -16.789 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.342 -3.578 -16.659 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.627 -1.576 -17.178 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.652 -2.811 -15.897 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.905 -1.098 -15.486 1.00 0.00 H new ATOM 215 N ASP A 13 -0.420 -0.527 -14.554 1.00 0.00 N ATOM 216 CA ASP A 13 1.035 -0.313 -14.577 1.00 0.00 C ATOM 217 C ASP A 13 1.473 0.914 -13.762 1.00 0.00 C ATOM 218 O ASP A 13 2.608 1.400 -13.840 1.00 0.00 O ATOM 219 CB ASP A 13 1.517 -0.261 -16.044 1.00 0.00 C ATOM 220 CG ASP A 13 2.678 -1.208 -16.365 1.00 0.00 C ATOM 221 OD1 ASP A 13 3.280 -1.805 -15.443 1.00 0.00 O ATOM 222 OD2 ASP A 13 2.922 -1.390 -17.586 1.00 0.00 O ATOM 0 H ASP A 13 -0.963 0.286 -14.845 1.00 0.00 H new ATOM 0 HA ASP A 13 1.517 -1.156 -14.082 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.678 -0.500 -16.698 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.822 0.759 -16.277 1.00 0.00 H new ATOM 227 N LYS A 14 0.526 1.452 -12.992 1.00 0.00 N ATOM 228 CA LYS A 14 0.648 2.589 -12.089 1.00 0.00 C ATOM 229 C LYS A 14 -0.495 2.545 -11.080 1.00 0.00 C ATOM 230 O LYS A 14 -1.368 1.671 -11.149 1.00 0.00 O ATOM 231 CB LYS A 14 0.681 3.921 -12.866 1.00 0.00 C ATOM 232 CG LYS A 14 -0.262 4.029 -14.072 1.00 0.00 C ATOM 233 CD LYS A 14 0.547 4.214 -15.366 1.00 0.00 C ATOM 234 CE LYS A 14 -0.309 4.906 -16.420 1.00 0.00 C ATOM 235 NZ LYS A 14 0.505 5.403 -17.546 1.00 0.00 N ATOM 0 H LYS A 14 -0.420 1.071 -12.986 1.00 0.00 H new ATOM 0 HA LYS A 14 1.594 2.526 -11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.443 4.727 -12.172 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.701 4.089 -13.213 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.876 3.131 -14.144 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.942 4.870 -13.937 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.440 4.806 -15.165 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.883 3.245 -15.737 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.060 4.209 -16.794 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.845 5.738 -15.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.112 5.867 -18.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.205 6.087 -17.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.997 4.606 -17.997 1.00 0.00 H new ATOM 249 N ILE A 15 -0.456 3.478 -10.131 1.00 0.00 N ATOM 250 CA ILE A 15 -1.474 3.663 -9.106 1.00 0.00 C ATOM 251 C ILE A 15 -2.810 3.949 -9.796 1.00 0.00 C ATOM 252 O ILE A 15 -2.842 4.671 -10.795 1.00 0.00 O ATOM 253 CB ILE A 15 -1.013 4.804 -8.171 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.242 4.370 -7.376 1.00 0.00 C ATOM 255 CG2 ILE A 15 -2.097 5.261 -7.178 1.00 0.00 C ATOM 256 CD1 ILE A 15 1.261 5.502 -7.246 1.00 0.00 C ATOM 0 H ILE A 15 0.311 4.146 -10.054 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.613 2.773 -8.493 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.788 5.650 -8.820 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.057 4.036 -6.382 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.708 3.519 -7.872 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.704 6.064 -6.554 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.966 5.622 -7.728 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.390 4.422 -6.547 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.124 5.151 -6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.581 5.819 -8.238 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.805 6.344 -6.726 1.00 0.00 H new ATOM 268 N SER A 16 -3.890 3.380 -9.247 1.00 0.00 N ATOM 269 CA SER A 16 -5.239 3.530 -9.766 1.00 0.00 C ATOM 270 C SER A 16 -5.766 4.928 -9.458 1.00 0.00 C ATOM 271 O SER A 16 -5.552 5.850 -10.247 1.00 0.00 O ATOM 272 CB SER A 16 -6.092 2.418 -9.134 1.00 0.00 C ATOM 273 OG SER A 16 -7.435 2.501 -9.529 1.00 0.00 O ATOM 0 H SER A 16 -3.841 2.793 -8.414 1.00 0.00 H new ATOM 0 HA SER A 16 -5.270 3.429 -10.851 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.689 1.446 -9.418 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.028 2.484 -8.048 1.00 0.00 H new ATOM 0 HG SER A 16 -7.493 2.436 -10.505 1.00 0.00 H new ATOM 279 N ASN A 17 -6.363 5.108 -8.278 1.00 0.00 N ATOM 280 CA ASN A 17 -6.962 6.349 -7.807 1.00 0.00 C ATOM 281 C ASN A 17 -7.507 6.166 -6.402 1.00 0.00 C ATOM 282 O ASN A 17 -7.350 7.061 -5.575 1.00 0.00 O ATOM 283 CB ASN A 17 -8.082 6.867 -8.726 1.00 0.00 C ATOM 284 CG ASN A 17 -7.851 8.334 -9.036 1.00 0.00 C ATOM 285 OD1 ASN A 17 -6.824 8.694 -9.610 1.00 0.00 O ATOM 286 ND2 ASN A 17 -8.760 9.223 -8.675 1.00 0.00 N ATOM 0 H ASN A 17 -6.443 4.354 -7.596 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.168 7.096 -7.813 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.104 6.289 -9.650 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.051 6.735 -8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.612 10.213 -8.872 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.610 8.919 -8.199 1.00 0.00 H new ATOM 293 N SER A 18 -8.059 4.993 -6.089 1.00 0.00 N ATOM 294 CA SER A 18 -8.660 4.749 -4.781 1.00 0.00 C ATOM 295 C SER A 18 -8.563 3.276 -4.422 1.00 0.00 C ATOM 296 O SER A 18 -8.461 2.409 -5.293 1.00 0.00 O ATOM 297 CB SER A 18 -10.103 5.286 -4.714 1.00 0.00 C ATOM 298 OG SER A 18 -10.631 5.579 -5.990 1.00 0.00 O ATOM 0 H SER A 18 -8.101 4.197 -6.726 1.00 0.00 H new ATOM 0 HA SER A 18 -8.098 5.303 -4.029 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.739 4.550 -4.222 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.124 6.187 -4.100 1.00 0.00 H new ATOM 0 HG SER A 18 -11.547 5.914 -5.896 1.00 0.00 H new ATOM 304 N PHE A 19 -8.567 3.001 -3.119 1.00 0.00 N ATOM 305 CA PHE A 19 -8.434 1.659 -2.576 1.00 0.00 C ATOM 306 C PHE A 19 -9.575 0.766 -3.092 1.00 0.00 C ATOM 307 O PHE A 19 -9.316 -0.314 -3.618 1.00 0.00 O ATOM 308 CB PHE A 19 -8.382 1.785 -1.048 1.00 0.00 C ATOM 309 CG PHE A 19 -8.151 0.499 -0.279 1.00 0.00 C ATOM 310 CD1 PHE A 19 -9.239 -0.282 0.155 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.841 0.107 0.058 1.00 0.00 C ATOM 312 CE1 PHE A 19 -9.016 -1.462 0.884 1.00 0.00 C ATOM 313 CE2 PHE A 19 -6.619 -1.081 0.777 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.706 -1.871 1.185 1.00 0.00 C ATOM 0 H PHE A 19 -8.665 3.720 -2.402 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.516 1.172 -2.905 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.589 2.487 -0.789 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.320 2.224 -0.708 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.248 0.027 -0.073 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.003 0.721 -0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.855 -2.057 1.214 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.611 -1.386 1.016 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.536 -2.789 1.728 1.00 0.00 H new ATOM 324 N GLU A 20 -10.826 1.232 -3.021 1.00 0.00 N ATOM 325 CA GLU A 20 -12.006 0.459 -3.452 1.00 0.00 C ATOM 326 C GLU A 20 -12.187 0.450 -4.976 1.00 0.00 C ATOM 327 O GLU A 20 -13.063 -0.250 -5.478 1.00 0.00 O ATOM 328 CB GLU A 20 -13.276 0.993 -2.758 1.00 0.00 C ATOM 329 CG GLU A 20 -13.459 0.479 -1.323 1.00 0.00 C ATOM 330 CD GLU A 20 -14.123 -0.905 -1.177 1.00 0.00 C ATOM 331 OE1 GLU A 20 -14.688 -1.483 -2.131 1.00 0.00 O ATOM 332 OE2 GLU A 20 -14.159 -1.415 -0.029 1.00 0.00 O ATOM 0 H GLU A 20 -11.055 2.159 -2.662 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.837 -0.575 -3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.240 2.082 -2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.148 0.712 -3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.480 0.442 -0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.056 1.206 -0.772 1.00 0.00 H new ATOM 339 N ASP A 21 -11.390 1.208 -5.727 1.00 0.00 N ATOM 340 CA ASP A 21 -11.581 1.392 -7.172 1.00 0.00 C ATOM 341 C ASP A 21 -10.487 0.673 -7.968 1.00 0.00 C ATOM 342 O ASP A 21 -10.636 0.444 -9.168 1.00 0.00 O ATOM 343 CB ASP A 21 -11.591 2.903 -7.474 1.00 0.00 C ATOM 344 CG ASP A 21 -12.560 3.335 -8.577 1.00 0.00 C ATOM 345 OD1 ASP A 21 -13.722 3.677 -8.255 1.00 0.00 O ATOM 346 OD2 ASP A 21 -12.161 3.449 -9.766 1.00 0.00 O ATOM 0 H ASP A 21 -10.589 1.716 -5.352 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.532 0.954 -7.476 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.843 3.440 -6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.583 3.209 -7.756 1.00 0.00 H new ATOM 351 N CYS A 22 -9.387 0.311 -7.299 1.00 0.00 N ATOM 352 CA CYS A 22 -8.228 -0.296 -7.931 1.00 0.00 C ATOM 353 C CYS A 22 -8.501 -1.740 -8.346 1.00 0.00 C ATOM 354 O CYS A 22 -9.522 -2.338 -8.005 1.00 0.00 O ATOM 355 CB CYS A 22 -7.005 -0.155 -7.015 1.00 0.00 C ATOM 356 SG CYS A 22 -7.052 -1.252 -5.574 1.00 0.00 S ATOM 0 H CYS A 22 -9.283 0.436 -6.292 1.00 0.00 H new ATOM 0 HA CYS A 22 -8.009 0.235 -8.857 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.103 -0.363 -7.591 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.934 0.878 -6.674 1.00 0.00 H new ATOM 0 HG CYS A 22 -7.990 -0.862 -4.762 1.00 0.00 H new ATOM 362 N LYS A 23 -7.558 -2.294 -9.101 1.00 0.00 N ATOM 363 CA LYS A 23 -7.678 -3.581 -9.773 1.00 0.00 C ATOM 364 C LYS A 23 -6.840 -4.630 -9.059 1.00 0.00 C ATOM 365 O LYS A 23 -7.143 -5.820 -9.155 1.00 0.00 O ATOM 366 CB LYS A 23 -7.166 -3.403 -11.206 1.00 0.00 C ATOM 367 CG LYS A 23 -8.142 -2.775 -12.211 1.00 0.00 C ATOM 368 CD LYS A 23 -8.914 -1.524 -11.767 1.00 0.00 C ATOM 369 CE LYS A 23 -9.627 -0.858 -12.950 1.00 0.00 C ATOM 370 NZ LYS A 23 -10.500 -1.789 -13.695 1.00 0.00 N ATOM 0 H LYS A 23 -6.658 -1.843 -9.267 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.716 -3.913 -9.768 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.268 -2.787 -11.173 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.868 -4.380 -11.585 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.581 -2.522 -13.110 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.870 -3.536 -12.493 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.645 -1.797 -11.006 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.226 -0.814 -11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.224 -0.023 -12.584 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.882 -0.444 -13.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.069 -1.256 -14.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.915 -2.487 -14.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.131 -2.280 -13.030 1.00 0.00 H new ATOM 384 N TYR A 24 -5.777 -4.224 -8.363 1.00 0.00 N ATOM 385 CA TYR A 24 -5.028 -5.101 -7.488 1.00 0.00 C ATOM 386 C TYR A 24 -4.199 -4.288 -6.508 1.00 0.00 C ATOM 387 O TYR A 24 -3.959 -3.094 -6.702 1.00 0.00 O ATOM 388 CB TYR A 24 -4.129 -6.041 -8.306 1.00 0.00 C ATOM 389 CG TYR A 24 -3.013 -5.389 -9.091 1.00 0.00 C ATOM 390 CD1 TYR A 24 -3.240 -4.973 -10.415 1.00 0.00 C ATOM 391 CD2 TYR A 24 -1.738 -5.272 -8.521 1.00 0.00 C ATOM 392 CE1 TYR A 24 -2.184 -4.448 -11.182 1.00 0.00 C ATOM 393 CE2 TYR A 24 -0.681 -4.745 -9.275 1.00 0.00 C ATOM 394 CZ TYR A 24 -0.890 -4.347 -10.613 1.00 0.00 C ATOM 395 OH TYR A 24 0.166 -3.883 -11.328 1.00 0.00 O ATOM 0 H TYR A 24 -5.417 -3.270 -8.397 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.733 -5.710 -6.922 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.688 -6.770 -7.626 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.758 -6.595 -9.002 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.228 -5.057 -10.844 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.570 -5.588 -7.502 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.358 -4.124 -12.197 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.298 -4.643 -8.830 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.157 -3.312 -12.056 1.00 0.00 H new ATOM 405 N PHE A 25 -3.696 -4.975 -5.487 1.00 0.00 N ATOM 406 CA PHE A 25 -2.746 -4.470 -4.527 1.00 0.00 C ATOM 407 C PHE A 25 -1.393 -5.076 -4.842 1.00 0.00 C ATOM 408 O PHE A 25 -1.240 -6.299 -4.802 1.00 0.00 O ATOM 409 CB PHE A 25 -3.196 -4.819 -3.114 1.00 0.00 C ATOM 410 CG PHE A 25 -4.517 -4.173 -2.783 1.00 0.00 C ATOM 411 CD1 PHE A 25 -4.561 -2.799 -2.492 1.00 0.00 C ATOM 412 CD2 PHE A 25 -5.705 -4.924 -2.849 1.00 0.00 C ATOM 413 CE1 PHE A 25 -5.790 -2.184 -2.220 1.00 0.00 C ATOM 414 CE2 PHE A 25 -6.933 -4.309 -2.554 1.00 0.00 C ATOM 415 CZ PHE A 25 -6.972 -2.945 -2.219 1.00 0.00 C ATOM 0 H PHE A 25 -3.958 -5.944 -5.306 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.678 -3.384 -4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.283 -5.901 -3.015 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.441 -4.493 -2.399 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.650 -2.219 -2.478 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.673 -5.968 -3.125 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.829 -1.125 -2.011 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.847 -4.884 -2.585 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.912 -2.480 -1.960 1.00 0.00 H new ATOM 425 N LEU A 26 -0.424 -4.242 -5.206 1.00 0.00 N ATOM 426 CA LEU A 26 0.960 -4.670 -5.331 1.00 0.00 C ATOM 427 C LEU A 26 1.536 -4.760 -3.916 1.00 0.00 C ATOM 428 O LEU A 26 1.553 -3.767 -3.183 1.00 0.00 O ATOM 429 CB LEU A 26 1.730 -3.704 -6.243 1.00 0.00 C ATOM 430 CG LEU A 26 3.062 -4.203 -6.828 1.00 0.00 C ATOM 431 CD1 LEU A 26 4.023 -4.637 -5.727 1.00 0.00 C ATOM 432 CD2 LEU A 26 2.908 -5.336 -7.852 1.00 0.00 C ATOM 0 H LEU A 26 -0.577 -3.257 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 26 1.044 -5.649 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.078 -3.430 -7.072 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.929 -2.793 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 26 3.474 -3.347 -7.362 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.955 -4.984 -6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.228 -3.792 -5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.574 -5.445 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.891 -5.632 -8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.424 -6.191 -7.379 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.299 -4.991 -8.688 1.00 0.00 H new ATOM 444 N ILE A 27 1.959 -5.954 -3.506 1.00 0.00 N ATOM 445 CA ILE A 27 2.476 -6.248 -2.181 1.00 0.00 C ATOM 446 C ILE A 27 3.991 -6.068 -2.232 1.00 0.00 C ATOM 447 O ILE A 27 4.706 -6.976 -2.658 1.00 0.00 O ATOM 448 CB ILE A 27 2.000 -7.662 -1.765 1.00 0.00 C ATOM 449 CG1 ILE A 27 0.479 -7.856 -1.971 1.00 0.00 C ATOM 450 CG2 ILE A 27 2.347 -8.079 -0.337 1.00 0.00 C ATOM 451 CD1 ILE A 27 -0.412 -6.816 -1.269 1.00 0.00 C ATOM 0 H ILE A 27 1.948 -6.772 -4.115 1.00 0.00 H new ATOM 0 HA ILE A 27 2.102 -5.574 -1.411 1.00 0.00 H new ATOM 0 HB ILE A 27 2.565 -8.310 -2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.267 -7.831 -3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.203 -8.848 -1.614 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.968 -9.084 -0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.429 -8.069 -0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.891 -7.382 0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.460 -7.037 -1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.236 -6.853 -0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.172 -5.820 -1.642 1.00 0.00 H new ATOM 463 N VAL A 28 4.472 -4.881 -1.847 1.00 0.00 N ATOM 464 CA VAL A 28 5.901 -4.565 -1.795 1.00 0.00 C ATOM 465 C VAL A 28 6.460 -5.197 -0.525 1.00 0.00 C ATOM 466 O VAL A 28 6.175 -4.712 0.574 1.00 0.00 O ATOM 467 CB VAL A 28 6.229 -3.044 -1.823 1.00 0.00 C ATOM 468 CG1 VAL A 28 7.642 -2.809 -2.387 1.00 0.00 C ATOM 469 CG2 VAL A 28 5.247 -2.230 -2.647 1.00 0.00 C ATOM 0 H VAL A 28 3.874 -4.106 -1.560 1.00 0.00 H new ATOM 0 HA VAL A 28 6.362 -4.967 -2.697 1.00 0.00 H new ATOM 0 HB VAL A 28 6.159 -2.709 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.856 -1.740 -2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.374 -3.318 -1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.699 -3.202 -3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.535 -1.179 -2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.255 -2.585 -3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.245 -2.341 -2.233 1.00 0.00 H new ATOM 479 N ARG A 29 7.181 -6.308 -0.638 1.00 0.00 N ATOM 480 CA ARG A 29 8.144 -6.696 0.387 1.00 0.00 C ATOM 481 C ARG A 29 9.414 -5.878 0.168 1.00 0.00 C ATOM 482 O ARG A 29 9.846 -5.719 -0.980 1.00 0.00 O ATOM 483 CB ARG A 29 8.481 -8.191 0.276 1.00 0.00 C ATOM 484 CG ARG A 29 7.585 -9.152 1.070 1.00 0.00 C ATOM 485 CD ARG A 29 6.238 -9.479 0.411 1.00 0.00 C ATOM 486 NE ARG A 29 5.679 -10.716 0.992 1.00 0.00 N ATOM 487 CZ ARG A 29 4.600 -11.396 0.580 1.00 0.00 C ATOM 488 NH1 ARG A 29 3.806 -10.915 -0.363 1.00 0.00 N ATOM 489 NH2 ARG A 29 4.279 -12.564 1.112 1.00 0.00 N ATOM 0 H ARG A 29 7.117 -6.953 -1.425 1.00 0.00 H new ATOM 0 HA ARG A 29 7.723 -6.512 1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.438 -8.474 -0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.511 -8.335 0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.129 -10.083 1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.396 -8.720 2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.542 -8.652 0.556 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.370 -9.600 -0.664 1.00 0.00 H new ATOM 0 HE ARG A 29 6.171 -11.097 1.800 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.010 -10.012 -0.790 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.990 -11.448 -0.663 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.857 -12.964 1.851 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.453 -13.064 0.783 1.00 0.00 H new ATOM 503 N ILE A 30 10.046 -5.432 1.249 1.00 0.00 N ATOM 504 CA ILE A 30 11.411 -4.916 1.295 1.00 0.00 C ATOM 505 C ILE A 30 12.080 -5.680 2.434 1.00 0.00 C ATOM 506 O ILE A 30 11.401 -6.039 3.404 1.00 0.00 O ATOM 507 CB ILE A 30 11.421 -3.379 1.504 1.00 0.00 C ATOM 508 CG1 ILE A 30 10.913 -2.637 0.246 1.00 0.00 C ATOM 509 CG2 ILE A 30 12.794 -2.826 1.922 1.00 0.00 C ATOM 510 CD1 ILE A 30 9.551 -1.978 0.486 1.00 0.00 C ATOM 0 H ILE A 30 9.597 -5.420 2.165 1.00 0.00 H new ATOM 0 HA ILE A 30 11.950 -5.067 0.360 1.00 0.00 H new ATOM 0 HB ILE A 30 10.738 -3.193 2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.638 -1.877 -0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.836 -3.339 -0.584 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.727 -1.746 2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 30 13.100 -3.285 2.862 1.00 0.00 H new ATOM 0 HG23 ILE A 30 13.529 -3.055 1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.229 -1.467 -0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.819 -2.741 0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.634 -1.256 1.299 1.00 0.00 H new ATOM 522 N ASP A 31 13.373 -5.981 2.295 1.00 0.00 N ATOM 523 CA ASP A 31 14.103 -6.796 3.275 1.00 0.00 C ATOM 524 C ASP A 31 15.617 -6.536 3.244 1.00 0.00 C ATOM 525 O ASP A 31 16.394 -7.401 3.639 1.00 0.00 O ATOM 526 CB ASP A 31 13.784 -8.285 3.041 1.00 0.00 C ATOM 527 CG ASP A 31 13.604 -9.039 4.354 1.00 0.00 C ATOM 528 OD1 ASP A 31 12.707 -8.622 5.120 1.00 0.00 O ATOM 529 OD2 ASP A 31 14.222 -10.115 4.518 1.00 0.00 O ATOM 0 H ASP A 31 13.942 -5.671 1.507 1.00 0.00 H new ATOM 0 HA ASP A 31 13.769 -6.508 4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.876 -8.373 2.444 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.589 -8.743 2.466 1.00 0.00 H new ATOM 534 N ASP A 32 16.026 -5.401 2.667 1.00 0.00 N ATOM 535 CA ASP A 32 17.372 -4.792 2.687 1.00 0.00 C ATOM 536 C ASP A 32 17.291 -3.479 1.889 1.00 0.00 C ATOM 537 O ASP A 32 17.995 -3.242 0.911 1.00 0.00 O ATOM 538 CB ASP A 32 18.491 -5.739 2.169 1.00 0.00 C ATOM 539 CG ASP A 32 19.607 -5.952 3.186 1.00 0.00 C ATOM 540 OD1 ASP A 32 20.394 -5.015 3.466 1.00 0.00 O ATOM 541 OD2 ASP A 32 19.732 -7.089 3.703 1.00 0.00 O ATOM 0 H ASP A 32 15.373 -4.833 2.127 1.00 0.00 H new ATOM 0 HA ASP A 32 17.663 -4.592 3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.053 -6.703 1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.915 -5.326 1.254 1.00 0.00 H new ATOM 546 N ASN A 33 16.323 -2.641 2.263 1.00 0.00 N ATOM 547 CA ASN A 33 16.002 -1.300 1.750 1.00 0.00 C ATOM 548 C ASN A 33 15.637 -1.281 0.260 1.00 0.00 C ATOM 549 O ASN A 33 15.363 -0.215 -0.286 1.00 0.00 O ATOM 550 CB ASN A 33 17.096 -0.262 2.084 1.00 0.00 C ATOM 551 CG ASN A 33 16.574 0.968 2.805 1.00 0.00 C ATOM 552 OD1 ASN A 33 16.764 2.086 2.342 1.00 0.00 O ATOM 553 ND2 ASN A 33 15.924 0.816 3.945 1.00 0.00 N ATOM 0 H ASN A 33 15.678 -2.907 3.007 1.00 0.00 H new ATOM 0 HA ASN A 33 15.099 -1.002 2.283 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.858 -0.737 2.701 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.583 0.049 1.160 1.00 0.00 H new ATOM 0 HD21 ASN A 33 15.576 1.633 4.447 1.00 0.00 H new ATOM 0 HD22 ASN A 33 15.770 -0.119 4.324 1.00 0.00 H new ATOM 560 N GLU A 34 15.601 -2.445 -0.381 1.00 0.00 N ATOM 561 CA GLU A 34 15.309 -2.688 -1.769 1.00 0.00 C ATOM 562 C GLU A 34 14.096 -3.622 -1.838 1.00 0.00 C ATOM 563 O GLU A 34 13.845 -4.461 -0.961 1.00 0.00 O ATOM 564 CB GLU A 34 16.577 -3.293 -2.398 1.00 0.00 C ATOM 565 CG GLU A 34 16.314 -3.942 -3.755 1.00 0.00 C ATOM 566 CD GLU A 34 17.564 -4.375 -4.525 1.00 0.00 C ATOM 567 OE1 GLU A 34 18.619 -3.699 -4.501 1.00 0.00 O ATOM 568 OE2 GLU A 34 17.457 -5.380 -5.269 1.00 0.00 O ATOM 0 H GLU A 34 15.795 -3.315 0.114 1.00 0.00 H new ATOM 0 HA GLU A 34 15.054 -1.784 -2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 34 17.328 -2.511 -2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 34 16.994 -4.037 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.679 -4.815 -3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.752 -3.241 -4.372 1.00 0.00 H new ATOM 575 N VAL A 35 13.347 -3.471 -2.921 1.00 0.00 N ATOM 576 CA VAL A 35 12.236 -4.306 -3.339 1.00 0.00 C ATOM 577 C VAL A 35 12.751 -5.692 -3.752 1.00 0.00 C ATOM 578 O VAL A 35 13.061 -5.932 -4.915 1.00 0.00 O ATOM 579 CB VAL A 35 11.389 -3.538 -4.388 1.00 0.00 C ATOM 580 CG1 VAL A 35 12.213 -2.813 -5.457 1.00 0.00 C ATOM 581 CG2 VAL A 35 10.376 -4.429 -5.126 1.00 0.00 C ATOM 0 H VAL A 35 13.514 -2.707 -3.575 1.00 0.00 H new ATOM 0 HA VAL A 35 11.546 -4.514 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 35 10.869 -2.802 -3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.543 -2.303 -6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.866 -2.083 -4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.817 -3.537 -6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.818 -3.828 -5.844 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.906 -5.224 -5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.685 -4.868 -4.406 1.00 0.00 H new ATOM 591 N LYS A 36 12.790 -6.622 -2.792 1.00 0.00 N ATOM 592 CA LYS A 36 13.147 -8.030 -3.003 1.00 0.00 C ATOM 593 C LYS A 36 12.287 -8.655 -4.110 1.00 0.00 C ATOM 594 O LYS A 36 12.781 -8.964 -5.194 1.00 0.00 O ATOM 595 CB LYS A 36 13.028 -8.842 -1.690 1.00 0.00 C ATOM 596 CG LYS A 36 13.966 -8.437 -0.538 1.00 0.00 C ATOM 597 CD LYS A 36 15.448 -8.763 -0.779 1.00 0.00 C ATOM 598 CE LYS A 36 16.346 -8.089 0.273 1.00 0.00 C ATOM 599 NZ LYS A 36 16.974 -8.996 1.270 1.00 0.00 N ATOM 0 H LYS A 36 12.568 -6.411 -1.819 1.00 0.00 H new ATOM 0 HA LYS A 36 14.188 -8.063 -3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.000 -8.765 -1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.208 -9.892 -1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.866 -7.366 -0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.640 -8.939 0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.595 -9.843 -0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.739 -8.430 -1.775 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.137 -7.548 -0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.752 -7.348 0.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.880 -8.585 2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.500 -9.921 1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.982 -9.117 1.043 1.00 0.00 H new ATOM 613 N SER A 37 10.994 -8.862 -3.846 1.00 0.00 N ATOM 614 CA SER A 37 10.096 -9.609 -4.720 1.00 0.00 C ATOM 615 C SER A 37 8.680 -9.073 -4.518 1.00 0.00 C ATOM 616 O SER A 37 8.123 -9.209 -3.426 1.00 0.00 O ATOM 617 CB SER A 37 10.162 -11.112 -4.401 1.00 0.00 C ATOM 618 OG SER A 37 11.491 -11.571 -4.217 1.00 0.00 O ATOM 0 H SER A 37 10.538 -8.508 -3.005 1.00 0.00 H new ATOM 0 HA SER A 37 10.394 -9.482 -5.761 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.583 -11.314 -3.500 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.696 -11.673 -5.211 1.00 0.00 H new ATOM 0 HG SER A 37 11.481 -12.530 -4.015 1.00 0.00 H new ATOM 624 N THR A 38 8.131 -8.428 -5.545 1.00 0.00 N ATOM 625 CA THR A 38 6.769 -7.914 -5.583 1.00 0.00 C ATOM 626 C THR A 38 5.759 -9.072 -5.632 1.00 0.00 C ATOM 627 O THR A 38 6.103 -10.215 -5.970 1.00 0.00 O ATOM 628 CB THR A 38 6.655 -7.001 -6.819 1.00 0.00 C ATOM 629 OG1 THR A 38 7.283 -7.584 -7.950 1.00 0.00 O ATOM 630 CG2 THR A 38 7.384 -5.676 -6.580 1.00 0.00 C ATOM 0 H THR A 38 8.645 -8.243 -6.406 1.00 0.00 H new ATOM 0 HA THR A 38 6.542 -7.342 -4.683 1.00 0.00 H new ATOM 0 HB THR A 38 5.589 -6.853 -6.992 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.194 -6.984 -8.719 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.292 -5.045 -7.464 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.942 -5.167 -5.724 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.438 -5.871 -6.382 1.00 0.00 H new ATOM 638 N LYS A 39 4.490 -8.777 -5.345 1.00 0.00 N ATOM 639 CA LYS A 39 3.352 -9.692 -5.443 1.00 0.00 C ATOM 640 C LYS A 39 2.141 -8.906 -5.881 1.00 0.00 C ATOM 641 O LYS A 39 2.121 -7.697 -5.688 1.00 0.00 O ATOM 642 CB LYS A 39 3.015 -10.262 -4.055 1.00 0.00 C ATOM 643 CG LYS A 39 3.127 -11.762 -3.829 1.00 0.00 C ATOM 644 CD LYS A 39 4.509 -12.144 -3.288 1.00 0.00 C ATOM 645 CE LYS A 39 5.348 -12.850 -4.355 1.00 0.00 C ATOM 646 NZ LYS A 39 4.921 -14.250 -4.571 1.00 0.00 N ATOM 0 H LYS A 39 4.215 -7.849 -5.023 1.00 0.00 H new ATOM 0 HA LYS A 39 3.603 -10.490 -6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.664 -9.770 -3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.992 -9.968 -3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.358 -12.084 -3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.943 -12.287 -4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.029 -11.249 -2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.395 -12.796 -2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.274 -12.301 -5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.397 -12.834 -4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.518 -14.686 -5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.016 -14.783 -3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.928 -14.266 -4.880 1.00 0.00 H new ATOM 660 N VAL A 40 1.102 -9.596 -6.321 1.00 0.00 N ATOM 661 CA VAL A 40 -0.177 -9.012 -6.681 1.00 0.00 C ATOM 662 C VAL A 40 -1.234 -9.696 -5.814 1.00 0.00 C ATOM 663 O VAL A 40 -1.106 -10.870 -5.463 1.00 0.00 O ATOM 664 CB VAL A 40 -0.352 -9.216 -8.201 1.00 0.00 C ATOM 665 CG1 VAL A 40 -1.762 -8.944 -8.735 1.00 0.00 C ATOM 666 CG2 VAL A 40 0.649 -8.301 -8.928 1.00 0.00 C ATOM 0 H VAL A 40 1.127 -10.609 -6.441 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.260 -7.941 -6.496 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.169 -10.273 -8.392 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.783 -9.115 -9.811 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.471 -9.613 -8.248 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.037 -7.910 -8.526 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.543 -8.429 -10.005 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.450 -7.262 -8.665 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.664 -8.563 -8.630 1.00 0.00 H new ATOM 676 N ILE A 41 -2.289 -8.971 -5.468 1.00 0.00 N ATOM 677 CA ILE A 41 -3.520 -9.489 -4.897 1.00 0.00 C ATOM 678 C ILE A 41 -4.598 -8.773 -5.692 1.00 0.00 C ATOM 679 O ILE A 41 -4.766 -7.566 -5.509 1.00 0.00 O ATOM 680 CB ILE A 41 -3.595 -9.190 -3.380 1.00 0.00 C ATOM 681 CG1 ILE A 41 -2.482 -9.915 -2.599 1.00 0.00 C ATOM 682 CG2 ILE A 41 -4.963 -9.593 -2.814 1.00 0.00 C ATOM 683 CD1 ILE A 41 -2.572 -9.707 -1.079 1.00 0.00 C ATOM 0 H ILE A 41 -2.308 -7.958 -5.584 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.615 -10.573 -4.964 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.455 -8.116 -3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.531 -10.982 -2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.512 -9.562 -2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.994 -9.374 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.747 -9.031 -3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.121 -10.660 -2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.759 -10.244 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.493 -8.644 -0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.528 -10.086 -0.716 1.00 0.00 H new ATOM 695 N PHE A 42 -5.272 -9.463 -6.613 1.00 0.00 N ATOM 696 CA PHE A 42 -6.367 -8.857 -7.358 1.00 0.00 C ATOM 697 C PHE A 42 -7.419 -8.353 -6.379 1.00 0.00 C ATOM 698 O PHE A 42 -7.662 -8.991 -5.345 1.00 0.00 O ATOM 699 CB PHE A 42 -6.999 -9.861 -8.329 1.00 0.00 C ATOM 700 CG PHE A 42 -6.048 -10.387 -9.388 1.00 0.00 C ATOM 701 CD1 PHE A 42 -5.335 -9.484 -10.199 1.00 0.00 C ATOM 702 CD2 PHE A 42 -5.861 -11.772 -9.562 1.00 0.00 C ATOM 703 CE1 PHE A 42 -4.408 -9.951 -11.145 1.00 0.00 C ATOM 704 CE2 PHE A 42 -4.948 -12.238 -10.526 1.00 0.00 C ATOM 705 CZ PHE A 42 -4.206 -11.332 -11.304 1.00 0.00 C ATOM 0 H PHE A 42 -5.078 -10.434 -6.857 1.00 0.00 H new ATOM 0 HA PHE A 42 -5.973 -8.026 -7.943 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.391 -10.703 -7.759 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.848 -9.387 -8.822 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.502 -8.422 -10.093 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.416 -12.474 -8.958 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.852 -9.250 -11.749 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.816 -13.300 -10.669 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.484 -11.696 -12.020 1.00 0.00 H new ATOM 715 N ASN A 43 -8.052 -7.236 -6.739 1.00 0.00 N ATOM 716 CA ASN A 43 -9.227 -6.738 -6.047 1.00 0.00 C ATOM 717 C ASN A 43 -10.342 -7.753 -6.268 1.00 0.00 C ATOM 718 O ASN A 43 -10.956 -7.793 -7.335 1.00 0.00 O ATOM 719 CB ASN A 43 -9.626 -5.340 -6.542 1.00 0.00 C ATOM 720 CG ASN A 43 -10.867 -4.798 -5.827 1.00 0.00 C ATOM 721 OD1 ASN A 43 -11.493 -5.462 -5.001 1.00 0.00 O ATOM 722 ND2 ASN A 43 -11.203 -3.539 -6.075 1.00 0.00 N ATOM 0 H ASN A 43 -7.758 -6.653 -7.523 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.022 -6.627 -4.982 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.794 -4.653 -6.390 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.816 -5.378 -7.615 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.986 -3.113 -5.579 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.678 -2.997 -6.761 1.00 0.00 H new ATOM 729 N ASP A 44 -10.539 -8.624 -5.285 1.00 0.00 N ATOM 730 CA ASP A 44 -11.607 -9.595 -5.200 1.00 0.00 C ATOM 731 C ASP A 44 -11.942 -9.730 -3.707 1.00 0.00 C ATOM 732 O ASP A 44 -11.258 -9.120 -2.874 1.00 0.00 O ATOM 733 CB ASP A 44 -11.118 -10.909 -5.832 1.00 0.00 C ATOM 734 CG ASP A 44 -12.242 -11.880 -6.176 1.00 0.00 C ATOM 735 OD1 ASP A 44 -13.422 -11.569 -5.894 1.00 0.00 O ATOM 736 OD2 ASP A 44 -11.940 -12.955 -6.733 1.00 0.00 O ATOM 0 H ASP A 44 -9.915 -8.668 -4.480 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.508 -9.304 -5.740 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.558 -10.679 -6.739 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.426 -11.397 -5.145 1.00 0.00 H new ATOM 741 N GLU A 45 -12.967 -10.500 -3.339 1.00 0.00 N ATOM 742 CA GLU A 45 -13.359 -10.735 -1.946 1.00 0.00 C ATOM 743 C GLU A 45 -12.159 -11.269 -1.166 1.00 0.00 C ATOM 744 O GLU A 45 -11.770 -10.710 -0.132 1.00 0.00 O ATOM 745 CB GLU A 45 -14.552 -11.715 -1.908 1.00 0.00 C ATOM 746 CG GLU A 45 -15.116 -11.988 -0.496 1.00 0.00 C ATOM 747 CD GLU A 45 -14.582 -13.258 0.186 1.00 0.00 C ATOM 748 OE1 GLU A 45 -13.363 -13.431 0.364 1.00 0.00 O ATOM 749 OE2 GLU A 45 -15.387 -14.077 0.691 1.00 0.00 O ATOM 0 H GLU A 45 -13.559 -10.987 -4.012 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.676 -9.804 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.351 -11.318 -2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.242 -12.662 -2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.892 -11.131 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.202 -12.060 -0.563 1.00 0.00 H new ATOM 756 N SER A 46 -11.537 -12.315 -1.719 1.00 0.00 N ATOM 757 CA SER A 46 -10.483 -13.054 -1.049 1.00 0.00 C ATOM 758 C SER A 46 -9.242 -12.185 -0.918 1.00 0.00 C ATOM 759 O SER A 46 -8.466 -12.391 0.012 1.00 0.00 O ATOM 760 CB SER A 46 -10.183 -14.328 -1.844 1.00 0.00 C ATOM 761 OG SER A 46 -9.334 -15.217 -1.141 1.00 0.00 O ATOM 0 H SER A 46 -11.758 -12.668 -2.650 1.00 0.00 H new ATOM 0 HA SER A 46 -10.804 -13.333 -0.045 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.119 -14.834 -2.080 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.718 -14.060 -2.793 1.00 0.00 H new ATOM 0 HG SER A 46 -9.172 -16.015 -1.686 1.00 0.00 H new ATOM 767 N GLY A 47 -9.066 -11.213 -1.819 1.00 0.00 N ATOM 768 CA GLY A 47 -7.927 -10.328 -1.825 1.00 0.00 C ATOM 769 C GLY A 47 -7.873 -9.565 -0.514 1.00 0.00 C ATOM 770 O GLY A 47 -6.952 -9.740 0.284 1.00 0.00 O ATOM 0 H GLY A 47 -9.729 -11.027 -2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.009 -10.900 -1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.998 -9.632 -2.661 1.00 0.00 H new ATOM 774 N LYS A 48 -8.892 -8.745 -0.262 1.00 0.00 N ATOM 775 CA LYS A 48 -8.958 -7.913 0.935 1.00 0.00 C ATOM 776 C LYS A 48 -9.073 -8.741 2.217 1.00 0.00 C ATOM 777 O LYS A 48 -8.697 -8.230 3.278 1.00 0.00 O ATOM 778 CB LYS A 48 -10.146 -6.955 0.801 1.00 0.00 C ATOM 779 CG LYS A 48 -9.892 -5.786 -0.159 1.00 0.00 C ATOM 780 CD LYS A 48 -11.219 -5.273 -0.725 1.00 0.00 C ATOM 781 CE LYS A 48 -11.990 -4.427 0.294 1.00 0.00 C ATOM 782 NZ LYS A 48 -13.329 -4.070 -0.208 1.00 0.00 N ATOM 0 H LYS A 48 -9.694 -8.640 -0.883 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.027 -7.352 1.016 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.015 -7.515 0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.393 -6.558 1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.375 -4.981 0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.241 -6.108 -0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.026 -4.678 -1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.833 -6.119 -1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.085 -4.978 1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.428 -3.519 0.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.547 -3.087 0.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.348 -4.166 -1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.038 -4.705 0.212 1.00 0.00 H new ATOM 796 N LYS A 49 -9.548 -9.992 2.171 1.00 0.00 N ATOM 797 CA LYS A 49 -9.498 -10.864 3.334 1.00 0.00 C ATOM 798 C LYS A 49 -8.046 -11.230 3.619 1.00 0.00 C ATOM 799 O LYS A 49 -7.614 -11.093 4.767 1.00 0.00 O ATOM 800 CB LYS A 49 -10.385 -12.099 3.131 1.00 0.00 C ATOM 801 CG LYS A 49 -11.886 -11.789 3.280 1.00 0.00 C ATOM 802 CD LYS A 49 -12.698 -13.050 3.595 1.00 0.00 C ATOM 803 CE LYS A 49 -14.206 -12.794 3.498 1.00 0.00 C ATOM 804 NZ LYS A 49 -14.975 -14.052 3.372 1.00 0.00 N ATOM 0 H LYS A 49 -9.968 -10.414 1.343 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.895 -10.343 4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.201 -12.513 2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.104 -12.865 3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.029 -11.057 4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.257 -11.338 2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.419 -13.845 2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.452 -13.400 4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.539 -12.252 4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.411 -12.156 2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.429 -14.089 2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.333 -14.863 3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.704 -14.089 4.113 1.00 0.00 H new ATOM 818 N SER A 50 -7.292 -11.634 2.593 1.00 0.00 N ATOM 819 CA SER A 50 -5.876 -11.946 2.714 1.00 0.00 C ATOM 820 C SER A 50 -5.127 -10.761 3.326 1.00 0.00 C ATOM 821 O SER A 50 -4.341 -10.963 4.243 1.00 0.00 O ATOM 822 CB SER A 50 -5.286 -12.330 1.347 1.00 0.00 C ATOM 823 OG SER A 50 -4.418 -13.438 1.485 1.00 0.00 O ATOM 0 H SER A 50 -7.657 -11.753 1.648 1.00 0.00 H new ATOM 0 HA SER A 50 -5.760 -12.803 3.377 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.089 -12.572 0.651 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.743 -11.484 0.926 1.00 0.00 H new ATOM 0 HG SER A 50 -4.049 -13.676 0.609 1.00 0.00 H new ATOM 829 N ILE A 51 -5.393 -9.525 2.881 1.00 0.00 N ATOM 830 CA ILE A 51 -4.676 -8.319 3.315 1.00 0.00 C ATOM 831 C ILE A 51 -4.637 -8.172 4.843 1.00 0.00 C ATOM 832 O ILE A 51 -3.639 -7.714 5.395 1.00 0.00 O ATOM 833 CB ILE A 51 -5.273 -7.077 2.609 1.00 0.00 C ATOM 834 CG1 ILE A 51 -4.914 -7.152 1.115 1.00 0.00 C ATOM 835 CG2 ILE A 51 -4.746 -5.744 3.158 1.00 0.00 C ATOM 836 CD1 ILE A 51 -5.449 -6.002 0.267 1.00 0.00 C ATOM 0 H ILE A 51 -6.125 -9.333 2.198 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.632 -8.413 3.015 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.349 -7.097 2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.829 -7.181 1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.295 -8.090 0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.208 -4.919 2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.991 -5.664 4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.664 -5.701 3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.145 -6.143 -0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.537 -5.982 0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.048 -5.059 0.638 1.00 0.00 H new ATOM 848 N VAL A 52 -5.684 -8.571 5.560 1.00 0.00 N ATOM 849 CA VAL A 52 -5.659 -8.451 7.014 1.00 0.00 C ATOM 850 C VAL A 52 -4.631 -9.419 7.620 1.00 0.00 C ATOM 851 O VAL A 52 -3.913 -9.050 8.556 1.00 0.00 O ATOM 852 CB VAL A 52 -7.080 -8.638 7.567 1.00 0.00 C ATOM 853 CG1 VAL A 52 -7.098 -8.631 9.101 1.00 0.00 C ATOM 854 CG2 VAL A 52 -7.987 -7.514 7.051 1.00 0.00 C ATOM 0 H VAL A 52 -6.539 -8.970 5.171 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.332 -7.452 7.304 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.443 -9.607 7.225 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.121 -8.766 9.453 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.475 -9.443 9.476 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.711 -7.679 9.465 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.994 -7.649 7.445 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.596 -6.551 7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.017 -7.542 5.962 1.00 0.00 H new ATOM 864 N LYS A 53 -4.545 -10.646 7.099 1.00 0.00 N ATOM 865 CA LYS A 53 -3.675 -11.689 7.639 1.00 0.00 C ATOM 866 C LYS A 53 -2.308 -11.695 6.962 1.00 0.00 C ATOM 867 O LYS A 53 -1.388 -12.355 7.436 1.00 0.00 O ATOM 868 CB LYS A 53 -4.353 -13.061 7.523 1.00 0.00 C ATOM 869 CG LYS A 53 -5.422 -13.270 8.604 1.00 0.00 C ATOM 870 CD LYS A 53 -6.759 -12.586 8.316 1.00 0.00 C ATOM 871 CE LYS A 53 -7.738 -12.937 9.441 1.00 0.00 C ATOM 872 NZ LYS A 53 -9.140 -12.954 8.983 1.00 0.00 N ATOM 0 H LYS A 53 -5.082 -10.944 6.285 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.508 -11.470 8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.810 -13.157 6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.600 -13.845 7.602 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.594 -14.340 8.724 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.037 -12.900 9.554 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.626 -11.506 8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.153 -12.915 7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.481 -13.914 9.851 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.632 -12.214 10.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.763 -13.196 9.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.397 -12.015 8.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.251 -13.662 8.230 1.00 0.00 H new ATOM 886 N GLU A 54 -2.136 -10.923 5.895 1.00 0.00 N ATOM 887 CA GLU A 54 -0.859 -10.590 5.292 1.00 0.00 C ATOM 888 C GLU A 54 0.049 -9.856 6.285 1.00 0.00 C ATOM 889 O GLU A 54 1.249 -9.775 6.028 1.00 0.00 O ATOM 890 CB GLU A 54 -1.124 -9.683 4.080 1.00 0.00 C ATOM 891 CG GLU A 54 -1.319 -10.432 2.761 1.00 0.00 C ATOM 892 CD GLU A 54 0.042 -10.849 2.239 1.00 0.00 C ATOM 893 OE1 GLU A 54 0.793 -9.978 1.741 1.00 0.00 O ATOM 894 OE2 GLU A 54 0.460 -12.004 2.444 1.00 0.00 O ATOM 0 H GLU A 54 -2.922 -10.494 5.407 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.355 -11.509 4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.012 -9.083 4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.289 -8.990 3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.951 -11.307 2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.824 -9.795 2.035 1.00 0.00 H new ATOM 901 N ASN A 55 -0.506 -9.327 7.387 1.00 0.00 N ATOM 902 CA ASN A 55 0.160 -8.447 8.347 1.00 0.00 C ATOM 903 C ASN A 55 0.796 -7.246 7.642 1.00 0.00 C ATOM 904 O ASN A 55 1.886 -6.823 8.032 1.00 0.00 O ATOM 905 CB ASN A 55 1.211 -9.195 9.187 1.00 0.00 C ATOM 906 CG ASN A 55 0.674 -10.296 10.076 1.00 0.00 C ATOM 907 OD1 ASN A 55 -0.298 -10.097 10.807 1.00 0.00 O ATOM 908 ND2 ASN A 55 1.335 -11.439 10.078 1.00 0.00 N ATOM 0 H ASN A 55 -1.476 -9.513 7.640 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.609 -8.085 9.030 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.950 -9.626 8.512 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.734 -8.471 9.812 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.046 -12.194 10.699 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.135 -11.567 9.458 1.00 0.00 H new ATOM 915 N VAL A 56 0.156 -6.706 6.592 1.00 0.00 N ATOM 916 CA VAL A 56 0.737 -5.571 5.883 1.00 0.00 C ATOM 917 C VAL A 56 1.007 -4.462 6.905 1.00 0.00 C ATOM 918 O VAL A 56 0.161 -4.164 7.748 1.00 0.00 O ATOM 919 CB VAL A 56 -0.150 -5.030 4.746 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.690 -4.324 3.697 1.00 0.00 C ATOM 921 CG2 VAL A 56 -0.979 -6.024 3.937 1.00 0.00 C ATOM 0 H VAL A 56 -0.740 -7.031 6.228 1.00 0.00 H new ATOM 0 HA VAL A 56 1.655 -5.913 5.406 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.837 -4.400 5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.043 -3.950 2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.220 -3.490 4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.411 -5.025 3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.548 -5.489 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.317 -6.744 3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.666 -6.550 4.600 1.00 0.00 H new ATOM 931 N ASN A 57 2.187 -3.878 6.811 1.00 0.00 N ATOM 932 CA ASN A 57 2.636 -2.719 7.558 1.00 0.00 C ATOM 933 C ASN A 57 1.956 -1.466 7.052 1.00 0.00 C ATOM 934 O ASN A 57 1.562 -0.622 7.857 1.00 0.00 O ATOM 935 CB ASN A 57 4.143 -2.611 7.416 1.00 0.00 C ATOM 936 CG ASN A 57 4.668 -1.660 8.458 1.00 0.00 C ATOM 937 OD1 ASN A 57 4.834 -2.013 9.619 1.00 0.00 O ATOM 938 ND2 ASN A 57 4.878 -0.435 8.050 1.00 0.00 N ATOM 0 H ASN A 57 2.902 -4.223 6.170 1.00 0.00 H new ATOM 0 HA ASN A 57 2.375 -2.831 8.610 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.603 -3.592 7.536 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.402 -2.257 6.418 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.194 0.275 8.710 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.725 -0.190 7.072 1.00 0.00 H new ATOM 945 N ALA A 58 1.788 -1.357 5.729 1.00 0.00 N ATOM 946 CA ALA A 58 1.357 -0.126 5.103 1.00 0.00 C ATOM 947 C ALA A 58 0.333 -0.293 3.983 1.00 0.00 C ATOM 948 O ALA A 58 0.160 -1.376 3.429 1.00 0.00 O ATOM 949 CB ALA A 58 2.611 0.576 4.589 1.00 0.00 C ATOM 0 H ALA A 58 1.949 -2.123 5.075 1.00 0.00 H new ATOM 0 HA ALA A 58 0.829 0.463 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.332 1.513 4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.280 0.783 5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.118 -0.066 3.868 1.00 0.00 H new ATOM 955 N ILE A 59 -0.304 0.806 3.591 1.00 0.00 N ATOM 956 CA ILE A 59 -1.070 0.936 2.354 1.00 0.00 C ATOM 957 C ILE A 59 -0.618 2.236 1.664 1.00 0.00 C ATOM 958 O ILE A 59 -0.610 3.274 2.324 1.00 0.00 O ATOM 959 CB ILE A 59 -2.585 0.996 2.667 1.00 0.00 C ATOM 960 CG1 ILE A 59 -3.017 -0.097 3.651 1.00 0.00 C ATOM 961 CG2 ILE A 59 -3.372 0.841 1.366 1.00 0.00 C ATOM 962 CD1 ILE A 59 -4.503 -0.177 4.006 1.00 0.00 C ATOM 0 H ILE A 59 -0.301 1.662 4.145 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.896 0.078 1.705 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.790 1.960 3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.717 -1.060 3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.457 0.042 4.576 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.440 0.882 1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.107 1.648 0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.131 -0.118 0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.666 -0.993 4.710 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.820 0.762 4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.084 -0.357 3.101 1.00 0.00 H new ATOM 974 N ILE A 60 -0.323 2.217 0.359 1.00 0.00 N ATOM 975 CA ILE A 60 -0.165 3.431 -0.452 1.00 0.00 C ATOM 976 C ILE A 60 -1.432 3.568 -1.296 1.00 0.00 C ATOM 977 O ILE A 60 -1.825 2.596 -1.952 1.00 0.00 O ATOM 978 CB ILE A 60 1.110 3.386 -1.339 1.00 0.00 C ATOM 979 CG1 ILE A 60 2.368 3.233 -0.470 1.00 0.00 C ATOM 980 CG2 ILE A 60 1.215 4.655 -2.202 1.00 0.00 C ATOM 981 CD1 ILE A 60 3.713 3.217 -1.210 1.00 0.00 C ATOM 0 H ILE A 60 -0.186 1.354 -0.168 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.034 4.299 0.194 1.00 0.00 H new ATOM 0 HB ILE A 60 1.034 2.521 -1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.385 4.049 0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.280 2.307 0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.114 4.604 -2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.339 4.730 -2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.266 5.531 -1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.523 3.104 -0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.732 2.383 -1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.840 4.152 -1.755 1.00 0.00 H new ATOM 993 N CYS A 61 -2.060 4.747 -1.322 1.00 0.00 N ATOM 994 CA CYS A 61 -3.151 5.042 -2.249 1.00 0.00 C ATOM 995 C CYS A 61 -3.139 6.518 -2.674 1.00 0.00 C ATOM 996 O CYS A 61 -2.352 7.315 -2.161 1.00 0.00 O ATOM 997 CB CYS A 61 -4.499 4.661 -1.613 1.00 0.00 C ATOM 998 SG CYS A 61 -4.880 5.780 -0.232 1.00 0.00 S ATOM 0 H CYS A 61 -1.825 5.521 -0.701 1.00 0.00 H new ATOM 0 HA CYS A 61 -3.008 4.445 -3.149 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.290 4.713 -2.361 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.463 3.631 -1.257 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.406 5.101 0.744 1.00 0.00 H new ATOM 1004 N LYS A 62 -4.045 6.879 -3.591 1.00 0.00 N ATOM 1005 CA LYS A 62 -4.421 8.260 -3.906 1.00 0.00 C ATOM 1006 C LYS A 62 -5.698 8.681 -3.157 1.00 0.00 C ATOM 1007 O LYS A 62 -5.896 9.876 -2.982 1.00 0.00 O ATOM 1008 CB LYS A 62 -4.659 8.402 -5.425 1.00 0.00 C ATOM 1009 CG LYS A 62 -3.481 8.875 -6.284 1.00 0.00 C ATOM 1010 CD LYS A 62 -3.976 8.950 -7.742 1.00 0.00 C ATOM 1011 CE LYS A 62 -2.956 9.335 -8.812 1.00 0.00 C ATOM 1012 NZ LYS A 62 -2.310 10.635 -8.569 1.00 0.00 N ATOM 0 H LYS A 62 -4.552 6.194 -4.152 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.604 8.908 -3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.986 7.435 -5.806 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.484 9.099 -5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.128 9.850 -5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.642 8.185 -6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.391 7.978 -8.007 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.795 9.668 -7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.189 8.562 -8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.452 9.361 -9.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.517 10.757 -9.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.001 11.398 -8.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.955 10.669 -7.592 1.00 0.00 H new ATOM 1026 N ASN A 63 -6.577 7.758 -2.746 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.796 8.011 -1.963 1.00 0.00 C ATOM 1028 C ASN A 63 -8.160 6.729 -1.213 1.00 0.00 C ATOM 1029 O ASN A 63 -7.697 5.639 -1.577 1.00 0.00 O ATOM 1030 CB ASN A 63 -8.988 8.431 -2.855 1.00 0.00 C ATOM 1031 CG ASN A 63 -9.092 9.941 -3.030 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -9.632 10.639 -2.171 1.00 0.00 O ATOM 1033 ND2 ASN A 63 -8.545 10.485 -4.106 1.00 0.00 N ATOM 0 H ASN A 63 -6.453 6.768 -2.960 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.596 8.833 -1.275 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.886 7.963 -3.834 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.913 8.056 -2.417 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.567 11.497 -4.233 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.102 9.892 -4.808 1.00 0.00 H new ATOM 1040 N ILE A 64 -8.984 6.856 -0.176 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.461 5.771 0.673 1.00 0.00 C ATOM 1042 C ILE A 64 -10.850 6.146 1.216 1.00 0.00 C ATOM 1043 O ILE A 64 -11.025 7.237 1.756 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.413 5.460 1.778 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -8.939 4.348 2.708 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -7.948 6.695 2.582 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -7.892 3.723 3.633 1.00 0.00 C ATOM 0 H ILE A 64 -9.354 7.763 0.108 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.576 4.846 0.108 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.519 5.112 1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.743 4.758 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.376 3.560 2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.218 6.388 3.331 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.492 7.419 1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.806 7.151 3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.361 2.953 4.246 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.098 3.277 3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.471 4.494 4.279 1.00 0.00 H new ATOM 1059 N SER A 65 -11.823 5.237 1.088 1.00 0.00 N ATOM 1060 CA SER A 65 -13.178 5.405 1.594 1.00 0.00 C ATOM 1061 C SER A 65 -13.170 5.515 3.120 1.00 0.00 C ATOM 1062 O SER A 65 -12.375 4.842 3.780 1.00 0.00 O ATOM 1063 CB SER A 65 -14.013 4.199 1.151 1.00 0.00 C ATOM 1064 OG SER A 65 -15.379 4.517 1.041 1.00 0.00 O ATOM 0 H SER A 65 -11.680 4.344 0.617 1.00 0.00 H new ATOM 0 HA SER A 65 -13.610 6.323 1.195 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.646 3.837 0.190 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.886 3.387 1.867 1.00 0.00 H new ATOM 0 HG SER A 65 -15.878 3.723 0.755 1.00 0.00 H new ATOM 1070 N GLU A 66 -14.100 6.296 3.662 1.00 0.00 N ATOM 1071 CA GLU A 66 -14.226 6.676 5.065 1.00 0.00 C ATOM 1072 C GLU A 66 -14.291 5.450 5.990 1.00 0.00 C ATOM 1073 O GLU A 66 -13.644 5.427 7.039 1.00 0.00 O ATOM 1074 CB GLU A 66 -15.497 7.541 5.232 1.00 0.00 C ATOM 1075 CG GLU A 66 -15.324 8.776 6.130 1.00 0.00 C ATOM 1076 CD GLU A 66 -14.673 9.977 5.426 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -14.840 10.146 4.198 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -13.955 10.746 6.112 1.00 0.00 O ATOM 0 H GLU A 66 -14.838 6.709 3.091 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.341 7.244 5.352 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.828 7.869 4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.291 6.918 5.644 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.301 9.076 6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.718 8.502 6.993 1.00 0.00 H new ATOM 1085 N GLU A 67 -15.090 4.436 5.633 1.00 0.00 N ATOM 1086 CA GLU A 67 -15.256 3.230 6.441 1.00 0.00 C ATOM 1087 C GLU A 67 -13.935 2.461 6.499 1.00 0.00 C ATOM 1088 O GLU A 67 -13.464 2.091 7.579 1.00 0.00 O ATOM 1089 CB GLU A 67 -16.370 2.328 5.871 1.00 0.00 C ATOM 1090 CG GLU A 67 -17.421 1.958 6.929 1.00 0.00 C ATOM 1091 CD GLU A 67 -18.323 0.766 6.565 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -18.339 0.305 5.404 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -19.012 0.260 7.484 1.00 0.00 O ATOM 0 H GLU A 67 -15.639 4.433 4.773 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.546 3.528 7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.858 2.838 5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.926 1.417 5.469 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.909 1.733 7.864 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.052 2.828 7.112 1.00 0.00 H new ATOM 1100 N ASN A 68 -13.346 2.215 5.324 1.00 0.00 N ATOM 1101 CA ASN A 68 -12.091 1.492 5.185 1.00 0.00 C ATOM 1102 C ASN A 68 -10.958 2.239 5.878 1.00 0.00 C ATOM 1103 O ASN A 68 -10.131 1.595 6.519 1.00 0.00 O ATOM 1104 CB ASN A 68 -11.732 1.277 3.713 1.00 0.00 C ATOM 1105 CG ASN A 68 -12.410 0.068 3.085 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -12.584 -0.972 3.718 1.00 0.00 O ATOM 1107 ND2 ASN A 68 -12.751 0.165 1.815 1.00 0.00 N ATOM 0 H ASN A 68 -13.739 2.520 4.433 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.224 0.519 5.658 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.005 2.169 3.148 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.652 1.162 3.625 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.169 -0.633 1.337 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.597 1.038 1.311 1.00 0.00 H new ATOM 1114 N TYR A 69 -10.915 3.572 5.797 1.00 0.00 N ATOM 1115 CA TYR A 69 -9.892 4.363 6.463 1.00 0.00 C ATOM 1116 C TYR A 69 -9.823 3.967 7.932 1.00 0.00 C ATOM 1117 O TYR A 69 -8.788 3.503 8.404 1.00 0.00 O ATOM 1118 CB TYR A 69 -10.126 5.870 6.281 1.00 0.00 C ATOM 1119 CG TYR A 69 -9.065 6.646 7.030 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -7.756 6.677 6.518 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -9.335 7.177 8.307 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -6.706 7.185 7.292 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -8.294 7.725 9.076 1.00 0.00 C ATOM 1124 CZ TYR A 69 -6.974 7.712 8.572 1.00 0.00 C ATOM 1125 OH TYR A 69 -5.932 8.117 9.339 1.00 0.00 O ATOM 0 H TYR A 69 -11.589 4.126 5.268 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.928 4.152 6.001 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.098 6.127 5.222 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -11.116 6.141 6.649 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.560 6.307 5.523 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -10.343 7.163 8.695 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.696 7.173 6.911 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.502 8.153 10.046 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.213 8.451 8.763 1.00 0.00 H new ATOM 1135 N LYS A 70 -10.948 4.065 8.635 1.00 0.00 N ATOM 1136 CA LYS A 70 -11.029 3.760 10.059 1.00 0.00 C ATOM 1137 C LYS A 70 -10.668 2.290 10.314 1.00 0.00 C ATOM 1138 O LYS A 70 -9.912 1.980 11.233 1.00 0.00 O ATOM 1139 CB LYS A 70 -12.445 4.108 10.545 1.00 0.00 C ATOM 1140 CG LYS A 70 -12.793 5.599 10.331 1.00 0.00 C ATOM 1141 CD LYS A 70 -14.303 5.831 10.205 1.00 0.00 C ATOM 1142 CE LYS A 70 -14.611 7.194 9.568 1.00 0.00 C ATOM 1143 NZ LYS A 70 -16.065 7.378 9.349 1.00 0.00 N ATOM 0 H LYS A 70 -11.836 4.361 8.229 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.310 4.355 10.622 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.170 3.489 10.016 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.532 3.866 11.604 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.406 6.184 11.166 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.296 5.960 9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.745 5.038 9.602 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.764 5.776 11.191 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.236 7.990 10.211 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.086 7.279 8.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.236 8.309 8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.418 6.633 8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.563 7.322 10.260 1.00 0.00 H new ATOM 1157 N LYS A 71 -11.177 1.377 9.481 1.00 0.00 N ATOM 1158 CA LYS A 71 -10.945 -0.066 9.567 1.00 0.00 C ATOM 1159 C LYS A 71 -9.465 -0.435 9.462 1.00 0.00 C ATOM 1160 O LYS A 71 -9.024 -1.379 10.125 1.00 0.00 O ATOM 1161 CB LYS A 71 -11.747 -0.710 8.428 1.00 0.00 C ATOM 1162 CG LYS A 71 -11.633 -2.236 8.311 1.00 0.00 C ATOM 1163 CD LYS A 71 -12.798 -2.834 7.511 1.00 0.00 C ATOM 1164 CE LYS A 71 -12.498 -4.277 7.077 1.00 0.00 C ATOM 1165 NZ LYS A 71 -11.832 -4.347 5.759 1.00 0.00 N ATOM 0 H LYS A 71 -11.783 1.633 8.701 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.267 -0.430 10.543 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.798 -0.452 8.558 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.424 -0.267 7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.690 -2.494 7.829 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.612 -2.677 9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.704 -2.816 8.116 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.990 -2.220 6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.865 -4.754 7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.429 -4.842 7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.412 -5.290 5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.530 -4.175 5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.085 -3.625 5.709 1.00 0.00 H new ATOM 1179 N PHE A 72 -8.706 0.209 8.576 1.00 0.00 N ATOM 1180 CA PHE A 72 -7.308 -0.137 8.327 1.00 0.00 C ATOM 1181 C PHE A 72 -6.361 0.695 9.211 1.00 0.00 C ATOM 1182 O PHE A 72 -5.380 0.142 9.718 1.00 0.00 O ATOM 1183 CB PHE A 72 -7.004 -0.052 6.818 1.00 0.00 C ATOM 1184 CG PHE A 72 -7.524 -1.237 5.995 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -6.710 -2.367 5.791 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -8.800 -1.226 5.396 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -7.161 -3.459 5.027 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -9.250 -2.307 4.614 1.00 0.00 C ATOM 1189 CZ PHE A 72 -8.430 -3.432 4.425 1.00 0.00 C ATOM 0 H PHE A 72 -9.044 0.987 8.010 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.129 -1.172 8.618 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.440 0.866 6.424 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.925 0.023 6.682 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.723 -2.396 6.228 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.445 -0.372 5.540 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.527 -4.324 4.902 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -10.228 -2.271 4.158 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.770 -4.264 3.826 1.00 0.00 H new ATOM 1199 N SER A 73 -6.686 1.960 9.503 1.00 0.00 N ATOM 1200 CA SER A 73 -5.856 2.921 10.260 1.00 0.00 C ATOM 1201 C SER A 73 -5.730 2.599 11.770 1.00 0.00 C ATOM 1202 O SER A 73 -5.326 3.445 12.575 1.00 0.00 O ATOM 1203 CB SER A 73 -6.374 4.350 9.993 1.00 0.00 C ATOM 1204 OG SER A 73 -5.406 5.342 10.302 1.00 0.00 O ATOM 0 H SER A 73 -7.574 2.366 9.207 1.00 0.00 H new ATOM 0 HA SER A 73 -4.832 2.836 9.896 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.661 4.440 8.945 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.272 4.525 10.586 1.00 0.00 H new ATOM 0 HG SER A 73 -5.675 6.197 9.905 1.00 0.00 H new ATOM 1210 N LYS A 74 -6.067 1.370 12.173 1.00 0.00 N ATOM 1211 CA LYS A 74 -5.930 0.843 13.531 1.00 0.00 C ATOM 1212 C LYS A 74 -4.697 -0.050 13.706 1.00 0.00 C ATOM 1213 O LYS A 74 -4.319 -0.325 14.849 1.00 0.00 O ATOM 1214 CB LYS A 74 -7.235 0.133 13.943 1.00 0.00 C ATOM 1215 CG LYS A 74 -7.443 -1.218 13.242 1.00 0.00 C ATOM 1216 CD LYS A 74 -8.817 -1.819 13.567 1.00 0.00 C ATOM 1217 CE LYS A 74 -8.957 -3.184 12.882 1.00 0.00 C ATOM 1218 NZ LYS A 74 -10.278 -3.796 13.125 1.00 0.00 N ATOM 0 H LYS A 74 -6.461 0.684 11.529 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.763 1.684 14.204 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.230 -0.023 15.022 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.080 0.784 13.719 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.349 -1.087 12.164 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.660 -1.912 13.549 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.931 -1.929 14.645 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.607 -1.149 13.229 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.804 -3.068 11.809 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.176 -3.853 13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.328 -4.717 12.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.415 -3.932 14.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.023 -3.171 12.756 1.00 0.00 H new ATOM 1232 N LYS A 75 -4.094 -0.546 12.617 1.00 0.00 N ATOM 1233 CA LYS A 75 -2.912 -1.423 12.662 1.00 0.00 C ATOM 1234 C LYS A 75 -1.952 -1.184 11.494 1.00 0.00 C ATOM 1235 O LYS A 75 -0.908 -1.834 11.440 1.00 0.00 O ATOM 1236 CB LYS A 75 -3.351 -2.908 12.704 1.00 0.00 C ATOM 1237 CG LYS A 75 -3.161 -3.549 14.088 1.00 0.00 C ATOM 1238 CD LYS A 75 -1.712 -3.970 14.393 1.00 0.00 C ATOM 1239 CE LYS A 75 -1.609 -4.294 15.891 1.00 0.00 C ATOM 1240 NZ LYS A 75 -0.360 -4.986 16.273 1.00 0.00 N ATOM 0 H LYS A 75 -4.415 -0.349 11.669 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.367 -1.177 13.573 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.400 -2.980 12.417 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.779 -3.472 11.967 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.491 -2.844 14.851 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.806 -4.425 14.162 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.436 -4.840 13.797 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.021 -3.170 14.129 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.687 -3.367 16.459 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.458 -4.915 16.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.364 -5.170 17.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.292 -5.888 15.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.456 -4.388 16.032 1.00 0.00 H new ATOM 1254 N ILE A 76 -2.313 -0.350 10.517 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.632 -0.271 9.232 1.00 0.00 C ATOM 1256 C ILE A 76 -1.474 1.208 8.906 1.00 0.00 C ATOM 1257 O ILE A 76 -2.425 1.979 9.045 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.419 -1.034 8.140 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -2.707 -2.490 8.572 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -1.579 -1.050 6.852 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -3.543 -3.308 7.590 1.00 0.00 C ATOM 0 H ILE A 76 -3.098 0.296 10.601 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.652 -0.747 9.274 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.372 -0.530 7.978 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.756 -3.000 8.728 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.220 -2.472 9.533 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.120 -1.585 6.071 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.391 -0.027 6.527 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.630 -1.550 7.043 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.688 -4.313 7.985 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.512 -2.829 7.450 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.026 -3.366 6.632 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.269 1.574 8.484 1.00 0.00 N ATOM 1274 CA GLU A 77 0.154 2.936 8.215 1.00 0.00 C ATOM 1275 C GLU A 77 -0.222 3.280 6.772 1.00 0.00 C ATOM 1276 O GLU A 77 0.236 2.635 5.831 1.00 0.00 O ATOM 1277 CB GLU A 77 1.648 3.079 8.569 1.00 0.00 C ATOM 1278 CG GLU A 77 1.858 2.892 10.093 1.00 0.00 C ATOM 1279 CD GLU A 77 3.305 2.703 10.585 1.00 0.00 C ATOM 1280 OE1 GLU A 77 4.016 3.711 10.832 1.00 0.00 O ATOM 1281 OE2 GLU A 77 3.669 1.542 10.889 1.00 0.00 O ATOM 0 H GLU A 77 0.472 0.894 8.313 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.356 3.670 8.839 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.231 2.339 8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.009 4.061 8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.439 3.761 10.601 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.277 2.026 10.411 1.00 0.00 H new ATOM 1288 N ILE A 78 -1.154 4.211 6.576 1.00 0.00 N ATOM 1289 CA ILE A 78 -1.673 4.576 5.269 1.00 0.00 C ATOM 1290 C ILE A 78 -0.945 5.844 4.835 1.00 0.00 C ATOM 1291 O ILE A 78 -0.868 6.818 5.587 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.203 4.746 5.345 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -3.890 3.428 5.779 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -3.772 5.180 3.982 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -4.999 3.676 6.800 1.00 0.00 C ATOM 0 H ILE A 78 -1.575 4.740 7.340 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.496 3.801 4.523 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.407 5.517 6.088 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.307 2.930 4.904 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.147 2.754 6.206 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.853 5.294 4.059 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.327 6.131 3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.539 4.423 3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.456 2.726 7.079 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.578 4.150 7.687 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.756 4.329 6.364 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.425 5.825 3.611 1.00 0.00 N ATOM 1308 CA TYR A 79 0.426 6.861 3.058 1.00 0.00 C ATOM 1309 C TYR A 79 -0.145 7.343 1.724 1.00 0.00 C ATOM 1310 O TYR A 79 -0.748 6.571 0.968 1.00 0.00 O ATOM 1311 CB TYR A 79 1.841 6.306 2.895 1.00 0.00 C ATOM 1312 CG TYR A 79 2.590 6.044 4.191 1.00 0.00 C ATOM 1313 CD1 TYR A 79 2.477 4.816 4.874 1.00 0.00 C ATOM 1314 CD2 TYR A 79 3.449 7.035 4.704 1.00 0.00 C ATOM 1315 CE1 TYR A 79 3.237 4.580 6.024 1.00 0.00 C ATOM 1316 CE2 TYR A 79 4.188 6.814 5.881 1.00 0.00 C ATOM 1317 CZ TYR A 79 4.056 5.588 6.567 1.00 0.00 C ATOM 1318 OH TYR A 79 4.681 5.365 7.756 1.00 0.00 O ATOM 0 H TYR A 79 -0.593 5.059 2.959 1.00 0.00 H new ATOM 0 HA TYR A 79 0.465 7.718 3.730 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.785 5.374 2.332 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.421 7.007 2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.802 4.056 4.508 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.542 7.978 4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.195 3.612 6.502 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.852 7.578 6.257 1.00 0.00 H new ATOM 0 HH TYR A 79 5.211 6.152 8.000 1.00 0.00 H new ATOM 1328 N HIS A 80 0.043 8.631 1.440 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.514 9.308 0.285 1.00 0.00 C ATOM 1330 C HIS A 80 0.516 9.326 -0.833 1.00 0.00 C ATOM 1331 O HIS A 80 1.614 9.864 -0.670 1.00 0.00 O ATOM 1332 CB HIS A 80 -0.938 10.733 0.659 1.00 0.00 C ATOM 1333 CG HIS A 80 -2.043 11.273 -0.221 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -2.167 12.574 -0.654 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -3.107 10.571 -0.731 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -3.275 12.650 -1.406 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -3.889 11.459 -1.470 1.00 0.00 N ATOM 0 H HIS A 80 0.605 9.245 2.029 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.399 8.773 -0.059 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.269 10.746 1.697 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.073 11.393 0.592 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.304 9.519 -0.586 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.625 13.548 -1.894 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.756 11.245 -1.962 1.00 0.00 H new ATOM 1345 N ALA A 81 0.158 8.715 -1.957 1.00 0.00 N ATOM 1346 CA ALA A 81 1.018 8.633 -3.119 1.00 0.00 C ATOM 1347 C ALA A 81 1.270 10.032 -3.681 1.00 0.00 C ATOM 1348 O ALA A 81 0.329 10.695 -4.116 1.00 0.00 O ATOM 1349 CB ALA A 81 0.377 7.736 -4.178 1.00 0.00 C ATOM 0 H ALA A 81 -0.746 8.260 -2.082 1.00 0.00 H new ATOM 0 HA ALA A 81 1.975 8.199 -2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.029 7.679 -5.049 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.230 6.737 -3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.586 8.152 -4.473 1.00 0.00 H new ATOM 1355 N GLU A 82 2.527 10.469 -3.730 1.00 0.00 N ATOM 1356 CA GLU A 82 2.902 11.828 -4.130 1.00 0.00 C ATOM 1357 C GLU A 82 2.726 12.107 -5.624 1.00 0.00 C ATOM 1358 O GLU A 82 2.771 13.251 -6.084 1.00 0.00 O ATOM 1359 CB GLU A 82 4.340 12.087 -3.665 1.00 0.00 C ATOM 1360 CG GLU A 82 5.399 11.313 -4.466 1.00 0.00 C ATOM 1361 CD GLU A 82 6.557 12.233 -4.856 1.00 0.00 C ATOM 1362 OE1 GLU A 82 7.188 12.856 -3.983 1.00 0.00 O ATOM 1363 OE2 GLU A 82 6.876 12.364 -6.061 1.00 0.00 O ATOM 0 H GLU A 82 3.326 9.882 -3.490 1.00 0.00 H new ATOM 0 HA GLU A 82 2.217 12.524 -3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.550 13.154 -3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.426 11.818 -2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.774 10.479 -3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.947 10.889 -5.362 1.00 0.00 H new ATOM 1370 N GLY A 83 2.518 11.047 -6.388 1.00 0.00 N ATOM 1371 CA GLY A 83 2.610 11.039 -7.823 1.00 0.00 C ATOM 1372 C GLY A 83 2.078 9.708 -8.333 1.00 0.00 C ATOM 1373 O GLY A 83 1.758 8.820 -7.537 1.00 0.00 O ATOM 0 H GLY A 83 2.271 10.136 -6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.035 11.863 -8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.644 11.179 -8.137 1.00 0.00 H new ATOM 1377 N ASP A 84 1.937 9.574 -9.645 1.00 0.00 N ATOM 1378 CA ASP A 84 1.423 8.366 -10.291 1.00 0.00 C ATOM 1379 C ASP A 84 2.578 7.394 -10.571 1.00 0.00 C ATOM 1380 O ASP A 84 2.358 6.282 -11.051 1.00 0.00 O ATOM 1381 CB ASP A 84 0.675 8.725 -11.594 1.00 0.00 C ATOM 1382 CG ASP A 84 -0.649 9.474 -11.366 1.00 0.00 C ATOM 1383 OD1 ASP A 84 -0.638 10.583 -10.775 1.00 0.00 O ATOM 1384 OD2 ASP A 84 -1.726 8.959 -11.757 1.00 0.00 O ATOM 0 H ASP A 84 2.180 10.313 -10.305 1.00 0.00 H new ATOM 0 HA ASP A 84 0.714 7.879 -9.622 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.325 9.338 -12.218 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.472 7.809 -12.149 1.00 0.00 H new ATOM 1389 N ASP A 85 3.822 7.804 -10.306 1.00 0.00 N ATOM 1390 CA ASP A 85 5.037 7.022 -10.446 1.00 0.00 C ATOM 1391 C ASP A 85 5.125 6.099 -9.240 1.00 0.00 C ATOM 1392 O ASP A 85 5.471 6.539 -8.140 1.00 0.00 O ATOM 1393 CB ASP A 85 6.245 7.969 -10.498 1.00 0.00 C ATOM 1394 CG ASP A 85 7.081 7.830 -11.760 1.00 0.00 C ATOM 1395 OD1 ASP A 85 7.876 6.871 -11.842 1.00 0.00 O ATOM 1396 OD2 ASP A 85 6.978 8.729 -12.632 1.00 0.00 O ATOM 0 H ASP A 85 4.010 8.748 -9.968 1.00 0.00 H new ATOM 0 HA ASP A 85 5.029 6.434 -11.364 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.892 8.997 -10.419 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.879 7.782 -9.631 1.00 0.00 H new ATOM 1401 N VAL A 86 4.797 4.823 -9.423 1.00 0.00 N ATOM 1402 CA VAL A 86 5.002 3.814 -8.387 1.00 0.00 C ATOM 1403 C VAL A 86 6.453 3.863 -7.900 1.00 0.00 C ATOM 1404 O VAL A 86 6.689 3.777 -6.702 1.00 0.00 O ATOM 1405 CB VAL A 86 4.595 2.422 -8.918 1.00 0.00 C ATOM 1406 CG1 VAL A 86 5.105 1.262 -8.046 1.00 0.00 C ATOM 1407 CG2 VAL A 86 3.066 2.328 -9.009 1.00 0.00 C ATOM 0 H VAL A 86 4.386 4.462 -10.284 1.00 0.00 H new ATOM 0 HA VAL A 86 4.366 4.023 -7.527 1.00 0.00 H new ATOM 0 HB VAL A 86 5.058 2.323 -9.900 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.783 0.314 -8.477 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.194 1.290 -8.004 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.700 1.359 -7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.784 1.344 -9.384 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.633 2.477 -8.020 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.694 3.096 -9.688 1.00 0.00 H new ATOM 1417 N ASP A 87 7.418 4.044 -8.802 1.00 0.00 N ATOM 1418 CA ASP A 87 8.829 3.861 -8.486 1.00 0.00 C ATOM 1419 C ASP A 87 9.303 4.945 -7.522 1.00 0.00 C ATOM 1420 O ASP A 87 9.893 4.626 -6.492 1.00 0.00 O ATOM 1421 CB ASP A 87 9.648 3.798 -9.779 1.00 0.00 C ATOM 1422 CG ASP A 87 9.353 2.494 -10.523 1.00 0.00 C ATOM 1423 OD1 ASP A 87 9.975 1.450 -10.177 1.00 0.00 O ATOM 1424 OD2 ASP A 87 8.469 2.504 -11.401 1.00 0.00 O ATOM 0 H ASP A 87 7.241 4.321 -9.768 1.00 0.00 H new ATOM 0 HA ASP A 87 8.976 2.911 -7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.407 4.651 -10.414 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.712 3.862 -9.549 1.00 0.00 H new ATOM 1429 N LYS A 88 8.951 6.213 -7.778 1.00 0.00 N ATOM 1430 CA LYS A 88 9.216 7.317 -6.850 1.00 0.00 C ATOM 1431 C LYS A 88 8.573 7.047 -5.488 1.00 0.00 C ATOM 1432 O LYS A 88 9.128 7.392 -4.453 1.00 0.00 O ATOM 1433 CB LYS A 88 8.695 8.611 -7.500 1.00 0.00 C ATOM 1434 CG LYS A 88 8.821 9.931 -6.713 1.00 0.00 C ATOM 1435 CD LYS A 88 10.219 10.253 -6.156 1.00 0.00 C ATOM 1436 CE LYS A 88 10.558 11.760 -6.120 1.00 0.00 C ATOM 1437 NZ LYS A 88 9.649 12.574 -5.278 1.00 0.00 N ATOM 0 H LYS A 88 8.475 6.500 -8.633 1.00 0.00 H new ATOM 0 HA LYS A 88 10.285 7.418 -6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.217 8.739 -8.448 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.641 8.464 -7.734 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.513 10.750 -7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.117 9.903 -5.881 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.296 9.851 -5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.966 9.739 -6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.578 11.882 -5.755 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.536 12.149 -7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.849 13.584 -5.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.662 12.374 -5.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.798 12.336 -4.276 1.00 0.00 H new ATOM 1451 N ASN A 89 7.386 6.444 -5.467 1.00 0.00 N ATOM 1452 CA ASN A 89 6.651 6.211 -4.228 1.00 0.00 C ATOM 1453 C ASN A 89 7.209 5.032 -3.441 1.00 0.00 C ATOM 1454 O ASN A 89 6.995 4.965 -2.234 1.00 0.00 O ATOM 1455 CB ASN A 89 5.170 6.010 -4.558 1.00 0.00 C ATOM 1456 CG ASN A 89 4.536 7.384 -4.756 1.00 0.00 C ATOM 1457 OD1 ASN A 89 3.986 7.962 -3.834 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.658 7.991 -5.920 1.00 0.00 N ATOM 0 H ASN A 89 6.910 6.106 -6.303 1.00 0.00 H new ATOM 0 HA ASN A 89 6.765 7.084 -3.586 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.060 5.407 -5.459 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.670 5.473 -3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.294 8.936 -6.043 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.117 7.516 -6.697 1.00 0.00 H new ATOM 1465 N ILE A 90 7.913 4.104 -4.087 1.00 0.00 N ATOM 1466 CA ILE A 90 8.570 2.989 -3.426 1.00 0.00 C ATOM 1467 C ILE A 90 9.760 3.541 -2.641 1.00 0.00 C ATOM 1468 O ILE A 90 9.872 3.238 -1.452 1.00 0.00 O ATOM 1469 CB ILE A 90 8.932 1.902 -4.469 1.00 0.00 C ATOM 1470 CG1 ILE A 90 7.662 1.136 -4.914 1.00 0.00 C ATOM 1471 CG2 ILE A 90 9.981 0.903 -3.939 1.00 0.00 C ATOM 1472 CD1 ILE A 90 7.895 0.206 -6.110 1.00 0.00 C ATOM 0 H ILE A 90 8.042 4.110 -5.099 1.00 0.00 H new ATOM 0 HA ILE A 90 7.917 2.491 -2.709 1.00 0.00 H new ATOM 0 HB ILE A 90 9.370 2.418 -5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.289 0.549 -4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.884 1.856 -5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 90 10.199 0.162 -4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.895 1.438 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 90 9.591 0.402 -3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.963 -0.297 -6.366 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.239 0.790 -6.964 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.649 -0.537 -5.852 1.00 0.00 H new ATOM 1484 N SER A 91 10.626 4.340 -3.268 1.00 0.00 N ATOM 1485 CA SER A 91 11.812 4.867 -2.603 1.00 0.00 C ATOM 1486 C SER A 91 11.429 5.743 -1.412 1.00 0.00 C ATOM 1487 O SER A 91 11.929 5.535 -0.303 1.00 0.00 O ATOM 1488 CB SER A 91 12.699 5.602 -3.611 1.00 0.00 C ATOM 1489 OG SER A 91 11.974 6.326 -4.589 1.00 0.00 O ATOM 0 H SER A 91 10.524 4.635 -4.239 1.00 0.00 H new ATOM 0 HA SER A 91 12.393 4.037 -2.202 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.352 6.290 -3.073 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.342 4.878 -4.111 1.00 0.00 H new ATOM 0 HG SER A 91 11.114 6.610 -4.215 1.00 0.00 H new ATOM 1495 N LEU A 92 10.489 6.670 -1.622 1.00 0.00 N ATOM 1496 CA LEU A 92 10.020 7.578 -0.583 1.00 0.00 C ATOM 1497 C LEU A 92 9.505 6.790 0.611 1.00 0.00 C ATOM 1498 O LEU A 92 9.858 7.092 1.749 1.00 0.00 O ATOM 1499 CB LEU A 92 8.904 8.471 -1.134 1.00 0.00 C ATOM 1500 CG LEU A 92 9.404 9.506 -2.150 1.00 0.00 C ATOM 1501 CD1 LEU A 92 8.202 10.103 -2.879 1.00 0.00 C ATOM 1502 CD2 LEU A 92 10.204 10.631 -1.506 1.00 0.00 C ATOM 0 H LEU A 92 10.033 6.808 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 92 10.854 8.202 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.146 7.845 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.420 8.989 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 92 10.071 8.990 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.546 10.841 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.660 9.311 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.541 10.584 -2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.531 11.331 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.579 11.153 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.075 10.215 -1.001 1.00 0.00 H new ATOM 1514 N PHE A 93 8.683 5.776 0.352 1.00 0.00 N ATOM 1515 CA PHE A 93 8.086 4.941 1.376 1.00 0.00 C ATOM 1516 C PHE A 93 9.135 4.256 2.256 1.00 0.00 C ATOM 1517 O PHE A 93 8.983 4.187 3.478 1.00 0.00 O ATOM 1518 CB PHE A 93 7.218 3.901 0.677 1.00 0.00 C ATOM 1519 CG PHE A 93 6.808 2.751 1.556 1.00 0.00 C ATOM 1520 CD1 PHE A 93 6.064 2.990 2.721 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.215 1.448 1.228 1.00 0.00 C ATOM 1522 CE1 PHE A 93 5.645 1.906 3.510 1.00 0.00 C ATOM 1523 CE2 PHE A 93 6.746 0.365 1.978 1.00 0.00 C ATOM 1524 CZ PHE A 93 5.938 0.593 3.104 1.00 0.00 C ATOM 0 H PHE A 93 8.412 5.512 -0.595 1.00 0.00 H new ATOM 0 HA PHE A 93 7.491 5.566 2.042 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.322 4.389 0.295 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.760 3.511 -0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.815 4.001 3.009 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.888 1.283 0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.100 2.081 4.426 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.004 -0.644 1.692 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.541 -0.244 3.660 1.00 0.00 H new ATOM 1534 N ILE A 94 10.175 3.701 1.636 1.00 0.00 N ATOM 1535 CA ILE A 94 11.210 2.960 2.341 1.00 0.00 C ATOM 1536 C ILE A 94 11.911 3.901 3.326 1.00 0.00 C ATOM 1537 O ILE A 94 12.179 3.486 4.454 1.00 0.00 O ATOM 1538 CB ILE A 94 12.151 2.306 1.310 1.00 0.00 C ATOM 1539 CG1 ILE A 94 11.404 1.180 0.556 1.00 0.00 C ATOM 1540 CG2 ILE A 94 13.394 1.732 2.001 1.00 0.00 C ATOM 1541 CD1 ILE A 94 12.027 0.837 -0.801 1.00 0.00 C ATOM 0 H ILE A 94 10.321 3.755 0.628 1.00 0.00 H new ATOM 0 HA ILE A 94 10.795 2.146 2.935 1.00 0.00 H new ATOM 0 HB ILE A 94 12.469 3.068 0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.390 0.285 1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.367 1.480 0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.046 1.275 1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 94 13.930 2.533 2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 94 13.091 0.979 2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 94 11.453 0.040 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.017 1.720 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.055 0.506 -0.656 1.00 0.00 H new ATOM 1553 N GLU A 95 12.191 5.149 2.943 1.00 0.00 N ATOM 1554 CA GLU A 95 12.772 6.140 3.842 1.00 0.00 C ATOM 1555 C GLU A 95 11.731 6.772 4.777 1.00 0.00 C ATOM 1556 O GLU A 95 12.105 7.416 5.759 1.00 0.00 O ATOM 1557 CB GLU A 95 13.494 7.203 3.004 1.00 0.00 C ATOM 1558 CG GLU A 95 14.884 6.707 2.577 1.00 0.00 C ATOM 1559 CD GLU A 95 15.928 6.924 3.679 1.00 0.00 C ATOM 1560 OE1 GLU A 95 15.997 6.098 4.618 1.00 0.00 O ATOM 1561 OE2 GLU A 95 16.650 7.955 3.633 1.00 0.00 O ATOM 0 H GLU A 95 12.020 5.498 2.000 1.00 0.00 H new ATOM 0 HA GLU A 95 13.486 5.639 4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.901 7.442 2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.592 8.123 3.581 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.832 5.647 2.329 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.195 7.231 1.673 1.00 0.00 H new ATOM 1568 N GLY A 96 10.434 6.592 4.526 1.00 0.00 N ATOM 1569 CA GLY A 96 9.352 7.099 5.362 1.00 0.00 C ATOM 1570 C GLY A 96 8.768 8.427 4.876 1.00 0.00 C ATOM 1571 O GLY A 96 7.830 8.926 5.491 1.00 0.00 O ATOM 0 H GLY A 96 10.101 6.075 3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.556 6.355 5.401 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.720 7.225 6.380 1.00 0.00 H new ATOM 1575 N GLU A 97 9.294 8.996 3.792 1.00 0.00 N ATOM 1576 CA GLU A 97 9.020 10.316 3.274 1.00 0.00 C ATOM 1577 C GLU A 97 7.625 10.510 2.669 1.00 0.00 C ATOM 1578 O GLU A 97 7.256 11.653 2.404 1.00 0.00 O ATOM 1579 CB GLU A 97 10.080 10.539 2.193 1.00 0.00 C ATOM 1580 CG GLU A 97 10.738 11.905 2.252 1.00 0.00 C ATOM 1581 CD GLU A 97 9.831 13.073 1.819 1.00 0.00 C ATOM 1582 OE1 GLU A 97 9.560 13.249 0.612 1.00 0.00 O ATOM 1583 OE2 GLU A 97 9.413 13.868 2.693 1.00 0.00 O ATOM 0 H GLU A 97 9.974 8.499 3.216 1.00 0.00 H new ATOM 0 HA GLU A 97 9.051 11.029 4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.848 9.772 2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.619 10.410 1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.079 12.086 3.271 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.624 11.895 1.617 1.00 0.00 H new ATOM 1590 N LEU A 98 6.837 9.459 2.411 1.00 0.00 N ATOM 1591 CA LEU A 98 5.459 9.695 1.977 1.00 0.00 C ATOM 1592 C LEU A 98 4.696 10.324 3.134 1.00 0.00 C ATOM 1593 O LEU A 98 4.923 9.998 4.302 1.00 0.00 O ATOM 1594 CB LEU A 98 4.763 8.430 1.452 1.00 0.00 C ATOM 1595 CG LEU A 98 5.341 7.889 0.135 1.00 0.00 C ATOM 1596 CD1 LEU A 98 4.543 6.646 -0.268 1.00 0.00 C ATOM 1597 CD2 LEU A 98 5.278 8.907 -1.011 1.00 0.00 C ATOM 0 H LEU A 98 7.114 8.481 2.491 1.00 0.00 H new ATOM 0 HA LEU A 98 5.474 10.375 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.830 7.651 2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.704 8.645 1.309 1.00 0.00 H new ATOM 0 HG LEU A 98 6.393 7.661 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.939 6.247 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.626 5.891 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.495 6.914 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.701 8.466 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.240 9.184 -1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.848 9.796 -0.740 1.00 0.00 H new ATOM 1609 N SER A 99 3.788 11.256 2.842 1.00 0.00 N ATOM 1610 CA SER A 99 2.974 11.816 3.899 1.00 0.00 C ATOM 1611 C SER A 99 1.989 10.735 4.299 1.00 0.00 C ATOM 1612 O SER A 99 1.461 10.003 3.456 1.00 0.00 O ATOM 1613 CB SER A 99 2.242 13.062 3.431 1.00 0.00 C ATOM 1614 OG SER A 99 2.007 13.948 4.511 1.00 0.00 O ATOM 0 H SER A 99 3.607 11.625 1.908 1.00 0.00 H new ATOM 0 HA SER A 99 3.593 12.121 4.743 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.829 13.566 2.663 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.293 12.781 2.974 1.00 0.00 H new ATOM 0 HG SER A 99 1.536 14.743 4.185 1.00 0.00 H new ATOM 1620 N LYS A 100 1.721 10.656 5.590 1.00 0.00 N ATOM 1621 CA LYS A 100 0.711 9.752 6.102 1.00 0.00 C ATOM 1622 C LYS A 100 -0.645 10.397 5.898 1.00 0.00 C ATOM 1623 O LYS A 100 -0.770 11.626 5.909 1.00 0.00 O ATOM 1624 CB LYS A 100 0.991 9.454 7.575 1.00 0.00 C ATOM 1625 CG LYS A 100 2.233 8.554 7.640 1.00 0.00 C ATOM 1626 CD LYS A 100 2.532 7.996 9.027 1.00 0.00 C ATOM 1627 CE LYS A 100 1.496 6.913 9.352 1.00 0.00 C ATOM 1628 NZ LYS A 100 1.018 7.032 10.736 1.00 0.00 N ATOM 0 H LYS A 100 2.192 11.211 6.305 1.00 0.00 H new ATOM 0 HA LYS A 100 0.727 8.800 5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.159 10.379 8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.135 8.959 8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.101 7.723 6.947 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.097 9.122 7.296 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.538 7.578 9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.494 8.792 9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.653 6.995 8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.937 5.928 9.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.318 6.286 10.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.820 6.930 11.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.577 7.964 10.872 1.00 0.00 H new ATOM 1642 N ILE A 101 -1.665 9.568 5.733 1.00 0.00 N ATOM 1643 CA ILE A 101 -3.035 10.024 5.690 1.00 0.00 C ATOM 1644 C ILE A 101 -3.513 10.152 7.140 1.00 0.00 C ATOM 1645 O ILE A 101 -3.312 9.248 7.962 1.00 0.00 O ATOM 1646 CB ILE A 101 -3.877 9.077 4.808 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.357 9.144 3.347 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.343 9.503 4.898 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -4.264 8.522 2.275 1.00 0.00 C ATOM 0 H ILE A 101 -1.559 8.559 5.625 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.140 11.002 5.221 1.00 0.00 H new ATOM 0 HB ILE A 101 -3.791 8.046 5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.191 10.190 3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.387 8.648 3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.952 8.843 4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.677 9.441 5.934 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.446 10.529 4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.797 8.629 1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.412 7.464 2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.228 9.031 2.274 1.00 0.00 H new