USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 704 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 49 HIS : no HD1:sc= -21.6! C(o=-26!,f=-30!) USER MOD Set 1.2: A 51 TYR OH : rot 104:sc= 1.28 USER MOD Set 1.3: A 73 CYS SG : rot -63:sc= -5.93! USER MOD Set 2.1: A 24 MET CE :methyl -169:sc= -6.26! (180deg=-5.16!) USER MOD Set 2.2: A 39 CYS SG : rot -151:sc= -2.68! USER MOD Set 2.3: A 45 CYS SG : rot -153:sc= -12.8! USER MOD Set 2.4: A 47 THR OG1 : rot 180:sc= 0.23 USER MOD Set 2.5: A 48 CYS SG : rot -7:sc= -0.721 USER MOD Set 2.6: A 86 CYS SG : rot 171:sc= -18.1! USER MOD Set 3.1: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 85 SER OG : rot -163:sc= -4.25! USER MOD Set 4.1: A 22 SER OG : rot 180:sc= 0.304 USER MOD Set 4.2: A 25 GLN : amide:sc= -4.6! C(o=-4.3!,f=-2.3!) USER MOD Set 5.1: A 1 SER OG : rot -74:sc= -6.92! USER MOD Set 5.2: A 90 MET CE :methyl 173:sc= -7! (180deg=-7.39!) USER MOD Single : A 1 SER N :NH3+ 177:sc= -4.04! (180deg=-4.8!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -99:sc= -1.89! USER MOD Single : A 7 SER OG : rot 140:sc= -0.941! USER MOD Single : A 8 HIS : no HE2:sc= -6.17! C(o=-6.2!,f=-13!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.139 USER MOD Single : A 30 ASN : amide:sc= -6.5! C(o=-6.5!,f=-5.2!) USER MOD Single : A 42 SER OG : rot -37:sc= 0.0864 USER MOD Single : A 44 SER OG : rot 180:sc= -2.03! USER MOD Single : A 53 ASN : amide:sc= -7.61! C(o=-7.6!,f=-19!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.605 USER MOD Single : A 59 LYS NZ :NH3+ 149:sc= -0.643 (180deg=-2.31!) USER MOD Single : A 64 ASN : amide:sc= -1.17! C(o=-1.2!,f=-13!) USER MOD Single : A 70 MET CE :methyl -148:sc= -20.5! (180deg=-26.1!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -1.83! C(o=-1.8!,f=-16!) USER MOD Single : A 82 SER OG : rot -54:sc= -2.59! USER MOD Single : A 87 GLN : amide:sc= -15.1! C(o=-15!,f=-21!) USER MOD Single : A 91 THR OG1 : rot -150:sc= -2.15! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.971 -10.271 -8.049 1.00 0.00 N ATOM 2 CA SER A 1 2.433 -9.351 -9.128 1.00 0.00 C ATOM 3 C SER A 1 3.734 -8.661 -8.715 1.00 0.00 C ATOM 4 O SER A 1 3.959 -8.383 -7.554 1.00 0.00 O ATOM 5 CB SER A 1 1.322 -8.311 -9.279 1.00 0.00 C ATOM 6 OG SER A 1 0.219 -8.670 -8.461 1.00 0.00 O ATOM 0 H1 SER A 1 1.061 -10.695 -8.320 1.00 0.00 H new ATOM 0 H2 SER A 1 2.675 -11.023 -7.909 1.00 0.00 H new ATOM 0 H3 SER A 1 1.854 -9.737 -7.164 1.00 0.00 H new ATOM 0 HA SER A 1 2.626 -9.886 -10.058 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.692 -7.325 -8.996 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.009 -8.247 -10.321 1.00 0.00 H new ATOM 0 HG SER A 1 -0.252 -9.430 -8.862 1.00 0.00 H new ATOM 14 N LYS A 2 4.581 -8.359 -9.659 1.00 0.00 N ATOM 15 CA LYS A 2 5.853 -7.661 -9.318 1.00 0.00 C ATOM 16 C LYS A 2 5.523 -6.415 -8.507 1.00 0.00 C ATOM 17 O LYS A 2 4.760 -5.578 -8.945 1.00 0.00 O ATOM 18 CB LYS A 2 6.454 -7.259 -10.663 1.00 0.00 C ATOM 19 CG LYS A 2 7.980 -7.244 -10.560 1.00 0.00 C ATOM 20 CD LYS A 2 8.568 -8.276 -11.525 1.00 0.00 C ATOM 21 CE LYS A 2 8.830 -9.584 -10.777 1.00 0.00 C ATOM 22 NZ LYS A 2 8.714 -10.648 -11.814 1.00 0.00 N ATOM 0 H LYS A 2 4.449 -8.564 -10.649 1.00 0.00 H new ATOM 0 HA LYS A 2 6.536 -8.280 -8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.139 -7.959 -11.437 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.090 -6.274 -10.956 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.361 -6.251 -10.797 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.288 -7.469 -9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.880 -8.450 -12.352 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.496 -7.899 -11.956 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.819 -9.586 -10.318 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.106 -9.733 -9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.881 -11.577 -11.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.760 -10.626 -12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.420 -10.484 -12.560 1.00 0.00 H new ATOM 36 N VAL A 3 6.051 -6.269 -7.327 1.00 0.00 N ATOM 37 CA VAL A 3 5.692 -5.063 -6.554 1.00 0.00 C ATOM 38 C VAL A 3 6.894 -4.455 -5.843 1.00 0.00 C ATOM 39 O VAL A 3 7.777 -5.142 -5.367 1.00 0.00 O ATOM 40 CB VAL A 3 4.665 -5.559 -5.555 1.00 0.00 C ATOM 41 CG1 VAL A 3 4.447 -4.495 -4.494 1.00 0.00 C ATOM 42 CG2 VAL A 3 3.359 -5.821 -6.288 1.00 0.00 C ATOM 0 H VAL A 3 6.698 -6.916 -6.877 1.00 0.00 H new ATOM 0 HA VAL A 3 5.313 -4.268 -7.197 1.00 0.00 H new ATOM 0 HB VAL A 3 5.014 -6.476 -5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.709 -4.846 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.388 -4.294 -3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.087 -3.580 -4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.610 -6.179 -5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.010 -4.898 -6.750 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.519 -6.575 -7.059 1.00 0.00 H new ATOM 52 N VAL A 4 6.906 -3.158 -5.757 1.00 0.00 N ATOM 53 CA VAL A 4 8.023 -2.455 -5.061 1.00 0.00 C ATOM 54 C VAL A 4 7.443 -1.448 -4.071 1.00 0.00 C ATOM 55 O VAL A 4 6.557 -0.684 -4.391 1.00 0.00 O ATOM 56 CB VAL A 4 8.830 -1.761 -6.154 1.00 0.00 C ATOM 57 CG1 VAL A 4 10.218 -1.406 -5.619 1.00 0.00 C ATOM 58 CG2 VAL A 4 8.974 -2.694 -7.360 1.00 0.00 C ATOM 0 H VAL A 4 6.186 -2.546 -6.141 1.00 0.00 H new ATOM 0 HA VAL A 4 8.658 -3.136 -4.495 1.00 0.00 H new ATOM 0 HB VAL A 4 8.313 -0.851 -6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.793 -0.910 -6.401 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.118 -0.738 -4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.733 -2.316 -5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.551 -2.195 -8.139 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.488 -3.606 -7.055 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.986 -2.946 -7.745 1.00 0.00 H new ATOM 68 N TYR A 5 7.913 -1.478 -2.860 1.00 0.00 N ATOM 69 CA TYR A 5 7.369 -0.571 -1.814 1.00 0.00 C ATOM 70 C TYR A 5 8.291 0.602 -1.527 1.00 0.00 C ATOM 71 O TYR A 5 9.495 0.472 -1.481 1.00 0.00 O ATOM 72 CB TYR A 5 7.263 -1.475 -0.595 1.00 0.00 C ATOM 73 CG TYR A 5 6.476 -2.683 -1.000 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.150 -2.520 -1.421 1.00 0.00 C ATOM 75 CD2 TYR A 5 7.054 -3.960 -0.980 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.401 -3.634 -1.812 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.306 -5.048 -1.369 1.00 0.00 C ATOM 78 CZ TYR A 5 4.981 -4.902 -1.784 1.00 0.00 C ATOM 79 OH TYR A 5 4.252 -6.011 -2.162 1.00 0.00 O ATOM 0 H TYR A 5 8.659 -2.098 -2.545 1.00 0.00 H new ATOM 0 HA TYR A 5 6.424 -0.119 -2.114 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.254 -1.763 -0.243 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.772 -0.955 0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.707 -1.535 -1.444 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.078 -4.089 -0.662 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.377 -3.513 -2.134 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.752 -6.032 -1.353 1.00 0.00 H new ATOM 0 HH TYR A 5 3.914 -6.468 -1.364 1.00 0.00 H new ATOM 89 N VAL A 6 7.724 1.751 -1.307 1.00 0.00 N ATOM 90 CA VAL A 6 8.574 2.940 -0.990 1.00 0.00 C ATOM 91 C VAL A 6 8.205 3.501 0.380 1.00 0.00 C ATOM 92 O VAL A 6 7.113 3.302 0.874 1.00 0.00 O ATOM 93 CB VAL A 6 8.292 3.981 -2.075 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.454 4.977 -2.141 1.00 0.00 C ATOM 95 CG2 VAL A 6 8.136 3.290 -3.427 1.00 0.00 C ATOM 0 H VAL A 6 6.719 1.924 -1.331 1.00 0.00 H new ATOM 0 HA VAL A 6 9.630 2.671 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 6 7.370 4.511 -1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.254 5.719 -2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.561 5.476 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.376 4.446 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.935 4.036 -4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.054 2.756 -3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.307 2.584 -3.381 1.00 0.00 H new ATOM 105 N SER A 7 9.103 4.220 0.989 1.00 0.00 N ATOM 106 CA SER A 7 8.813 4.818 2.309 1.00 0.00 C ATOM 107 C SER A 7 8.788 6.335 2.158 1.00 0.00 C ATOM 108 O SER A 7 9.438 6.889 1.294 1.00 0.00 O ATOM 109 CB SER A 7 9.966 4.379 3.207 1.00 0.00 C ATOM 110 OG SER A 7 10.627 5.526 3.723 1.00 0.00 O ATOM 0 H SER A 7 10.033 4.418 0.621 1.00 0.00 H new ATOM 0 HA SER A 7 7.854 4.508 2.723 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.590 3.764 4.025 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.668 3.765 2.642 1.00 0.00 H new ATOM 0 HG SER A 7 10.860 5.374 4.663 1.00 0.00 H new ATOM 116 N HIS A 8 8.051 7.014 2.979 1.00 0.00 N ATOM 117 CA HIS A 8 8.006 8.500 2.852 1.00 0.00 C ATOM 118 C HIS A 8 9.417 9.080 2.997 1.00 0.00 C ATOM 119 O HIS A 8 9.659 10.229 2.683 1.00 0.00 O ATOM 120 CB HIS A 8 7.078 9.024 3.954 1.00 0.00 C ATOM 121 CG HIS A 8 7.191 8.196 5.194 1.00 0.00 C ATOM 122 ND1 HIS A 8 6.072 7.678 5.799 1.00 0.00 N ATOM 123 CD2 HIS A 8 8.259 7.802 5.961 1.00 0.00 C ATOM 124 CE1 HIS A 8 6.474 7.001 6.892 1.00 0.00 C ATOM 125 NE2 HIS A 8 7.803 7.045 7.037 1.00 0.00 N ATOM 0 H HIS A 8 7.482 6.617 3.726 1.00 0.00 H new ATOM 0 HA HIS A 8 7.630 8.800 1.874 1.00 0.00 H new ATOM 0 HB2 HIS A 8 7.328 10.060 4.181 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.047 9.015 3.600 1.00 0.00 H new ATOM 0 HD1 HIS A 8 5.110 7.786 5.478 1.00 0.00 H new ATOM 0 HD2 HIS A 8 9.293 8.042 5.761 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.806 6.487 7.567 1.00 0.00 H new ATOM 133 N ASP A 9 10.358 8.295 3.461 1.00 0.00 N ATOM 134 CA ASP A 9 11.749 8.812 3.606 1.00 0.00 C ATOM 135 C ASP A 9 12.594 8.416 2.389 1.00 0.00 C ATOM 136 O ASP A 9 13.742 8.796 2.271 1.00 0.00 O ATOM 137 CB ASP A 9 12.295 8.182 4.895 1.00 0.00 C ATOM 138 CG ASP A 9 12.702 6.724 4.652 1.00 0.00 C ATOM 139 OD1 ASP A 9 13.505 6.488 3.764 1.00 0.00 O ATOM 140 OD2 ASP A 9 12.212 5.869 5.370 1.00 0.00 O ATOM 0 H ASP A 9 10.222 7.324 3.744 1.00 0.00 H new ATOM 0 HA ASP A 9 11.777 9.900 3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.155 8.751 5.249 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.538 8.228 5.678 1.00 0.00 H new ATOM 145 N GLY A 10 12.031 7.673 1.472 1.00 0.00 N ATOM 146 CA GLY A 10 12.803 7.279 0.256 1.00 0.00 C ATOM 147 C GLY A 10 13.124 5.779 0.266 1.00 0.00 C ATOM 148 O GLY A 10 13.133 5.141 -0.767 1.00 0.00 O ATOM 0 H GLY A 10 11.074 7.323 1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.230 7.525 -0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.729 7.852 0.208 1.00 0.00 H new ATOM 152 N THR A 11 13.401 5.207 1.407 1.00 0.00 N ATOM 153 CA THR A 11 13.727 3.758 1.437 1.00 0.00 C ATOM 154 C THR A 11 12.665 2.988 0.659 1.00 0.00 C ATOM 155 O THR A 11 11.479 3.202 0.805 1.00 0.00 O ATOM 156 CB THR A 11 13.772 3.381 2.929 1.00 0.00 C ATOM 157 OG1 THR A 11 15.096 2.996 3.265 1.00 0.00 O ATOM 158 CG2 THR A 11 12.820 2.220 3.255 1.00 0.00 C ATOM 0 H THR A 11 13.415 5.679 2.311 1.00 0.00 H new ATOM 0 HA THR A 11 14.679 3.516 0.966 1.00 0.00 H new ATOM 0 HB THR A 11 13.456 4.250 3.507 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.136 2.755 4.214 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.883 1.986 4.318 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.798 2.506 3.006 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.103 1.343 2.673 1.00 0.00 H new ATOM 166 N ARG A 12 13.101 2.111 -0.178 1.00 0.00 N ATOM 167 CA ARG A 12 12.143 1.318 -1.006 1.00 0.00 C ATOM 168 C ARG A 12 12.360 -0.188 -0.819 1.00 0.00 C ATOM 169 O ARG A 12 13.392 -0.631 -0.356 1.00 0.00 O ATOM 170 CB ARG A 12 12.449 1.722 -2.447 1.00 0.00 C ATOM 171 CG ARG A 12 11.763 3.053 -2.762 1.00 0.00 C ATOM 172 CD ARG A 12 11.895 3.356 -4.256 1.00 0.00 C ATOM 173 NE ARG A 12 13.358 3.320 -4.527 1.00 0.00 N ATOM 174 CZ ARG A 12 13.875 2.323 -5.192 1.00 0.00 C ATOM 175 NH1 ARG A 12 13.258 1.848 -6.239 1.00 0.00 N ATOM 176 NH2 ARG A 12 15.009 1.802 -4.811 1.00 0.00 N ATOM 0 H ARG A 12 14.086 1.898 -0.335 1.00 0.00 H new ATOM 0 HA ARG A 12 11.108 1.515 -0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.526 1.813 -2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.101 0.950 -3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.711 3.007 -2.481 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.214 3.854 -2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.364 2.618 -4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.472 4.330 -4.500 1.00 0.00 H new ATOM 0 HE ARG A 12 13.957 4.075 -4.193 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.372 2.256 -6.537 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.662 1.069 -6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.492 2.174 -3.993 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.413 1.023 -5.331 1.00 0.00 H new ATOM 190 N ARG A 13 11.384 -0.972 -1.192 1.00 0.00 N ATOM 191 CA ARG A 13 11.497 -2.453 -1.063 1.00 0.00 C ATOM 192 C ARG A 13 10.880 -3.116 -2.297 1.00 0.00 C ATOM 193 O ARG A 13 10.056 -2.536 -2.969 1.00 0.00 O ATOM 194 CB ARG A 13 10.688 -2.807 0.185 1.00 0.00 C ATOM 195 CG ARG A 13 11.243 -4.086 0.806 1.00 0.00 C ATOM 196 CD ARG A 13 11.639 -3.820 2.262 1.00 0.00 C ATOM 197 NE ARG A 13 12.503 -2.608 2.213 1.00 0.00 N ATOM 198 CZ ARG A 13 13.200 -2.258 3.261 1.00 0.00 C ATOM 199 NH1 ARG A 13 13.671 -3.170 4.068 1.00 0.00 N ATOM 200 NH2 ARG A 13 13.424 -0.996 3.502 1.00 0.00 N ATOM 0 H ARG A 13 10.502 -0.644 -1.586 1.00 0.00 H new ATOM 0 HA ARG A 13 12.531 -2.790 -0.985 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.735 -1.990 0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.638 -2.942 -0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.496 -4.878 0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.108 -4.431 0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.761 -3.653 2.885 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.175 -4.669 2.687 1.00 0.00 H new ATOM 0 HE ARG A 13 12.551 -2.051 1.360 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.495 -4.157 3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.215 -2.895 4.886 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.055 -0.283 2.872 1.00 0.00 H new ATOM 0 HH22 ARG A 13 13.968 -0.722 4.320 1.00 0.00 H new ATOM 214 N GLU A 14 11.267 -4.319 -2.609 1.00 0.00 N ATOM 215 CA GLU A 14 10.677 -4.985 -3.807 1.00 0.00 C ATOM 216 C GLU A 14 10.199 -6.397 -3.454 1.00 0.00 C ATOM 217 O GLU A 14 10.944 -7.196 -2.925 1.00 0.00 O ATOM 218 CB GLU A 14 11.813 -5.045 -4.829 1.00 0.00 C ATOM 219 CG GLU A 14 12.536 -3.697 -4.873 1.00 0.00 C ATOM 220 CD GLU A 14 13.884 -3.816 -4.161 1.00 0.00 C ATOM 221 OE1 GLU A 14 14.675 -4.652 -4.567 1.00 0.00 O ATOM 222 OE2 GLU A 14 14.103 -3.070 -3.221 1.00 0.00 O ATOM 0 H GLU A 14 11.957 -4.867 -2.096 1.00 0.00 H new ATOM 0 HA GLU A 14 9.811 -4.445 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.514 -5.836 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.416 -5.289 -5.815 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.685 -3.386 -5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.927 -2.930 -4.395 1.00 0.00 H new ATOM 229 N LEU A 15 8.965 -6.720 -3.750 1.00 0.00 N ATOM 230 CA LEU A 15 8.470 -8.089 -3.432 1.00 0.00 C ATOM 231 C LEU A 15 8.013 -8.803 -4.694 1.00 0.00 C ATOM 232 O LEU A 15 7.520 -8.199 -5.626 1.00 0.00 O ATOM 233 CB LEU A 15 7.253 -7.911 -2.520 1.00 0.00 C ATOM 234 CG LEU A 15 7.676 -7.776 -1.053 1.00 0.00 C ATOM 235 CD1 LEU A 15 6.439 -7.751 -0.160 1.00 0.00 C ATOM 236 CD2 LEU A 15 8.476 -8.962 -0.623 1.00 0.00 C ATOM 0 H LEU A 15 8.287 -6.100 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 15 9.262 -8.676 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.694 -7.026 -2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.584 -8.764 -2.631 1.00 0.00 H new ATOM 0 HG LEU A 15 8.259 -6.860 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.744 -7.655 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.810 -6.904 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.878 -8.676 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.766 -8.846 0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.876 -9.865 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.370 -9.041 -1.241 1.00 0.00 H new ATOM 248 N ASP A 16 8.118 -10.093 -4.696 1.00 0.00 N ATOM 249 CA ASP A 16 7.632 -10.872 -5.857 1.00 0.00 C ATOM 250 C ASP A 16 6.312 -11.504 -5.432 1.00 0.00 C ATOM 251 O ASP A 16 6.280 -12.556 -4.827 1.00 0.00 O ATOM 252 CB ASP A 16 8.700 -11.935 -6.120 1.00 0.00 C ATOM 253 CG ASP A 16 8.658 -12.348 -7.593 1.00 0.00 C ATOM 254 OD1 ASP A 16 7.565 -12.500 -8.114 1.00 0.00 O ATOM 255 OD2 ASP A 16 9.719 -12.504 -8.174 1.00 0.00 O ATOM 0 H ASP A 16 8.522 -10.646 -3.940 1.00 0.00 H new ATOM 0 HA ASP A 16 7.470 -10.282 -6.759 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.686 -11.545 -5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.529 -12.803 -5.483 1.00 0.00 H new ATOM 260 N VAL A 17 5.225 -10.841 -5.694 1.00 0.00 N ATOM 261 CA VAL A 17 3.912 -11.373 -5.249 1.00 0.00 C ATOM 262 C VAL A 17 3.201 -12.097 -6.388 1.00 0.00 C ATOM 263 O VAL A 17 3.587 -12.008 -7.538 1.00 0.00 O ATOM 264 CB VAL A 17 3.127 -10.133 -4.820 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.661 -10.505 -4.620 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.698 -9.596 -3.507 1.00 0.00 C ATOM 0 H VAL A 17 5.189 -9.954 -6.197 1.00 0.00 H new ATOM 0 HA VAL A 17 4.012 -12.102 -4.445 1.00 0.00 H new ATOM 0 HB VAL A 17 3.208 -9.367 -5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.100 -9.622 -4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.252 -10.889 -5.555 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.582 -11.270 -3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.138 -8.712 -3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.617 -10.361 -2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.746 -9.331 -3.647 1.00 0.00 H new ATOM 276 N ALA A 18 2.168 -12.826 -6.072 1.00 0.00 N ATOM 277 CA ALA A 18 1.429 -13.572 -7.132 1.00 0.00 C ATOM 278 C ALA A 18 -0.006 -13.052 -7.261 1.00 0.00 C ATOM 279 O ALA A 18 -0.240 -11.864 -7.315 1.00 0.00 O ATOM 280 CB ALA A 18 1.431 -15.028 -6.670 1.00 0.00 C ATOM 0 H ALA A 18 1.802 -12.939 -5.127 1.00 0.00 H new ATOM 0 HA ALA A 18 1.893 -13.452 -8.111 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.904 -15.642 -7.400 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.459 -15.378 -6.576 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.932 -15.104 -5.704 1.00 0.00 H new ATOM 286 N ASP A 19 -0.968 -13.938 -7.325 1.00 0.00 N ATOM 287 CA ASP A 19 -2.379 -13.506 -7.466 1.00 0.00 C ATOM 288 C ASP A 19 -3.161 -13.786 -6.180 1.00 0.00 C ATOM 289 O ASP A 19 -3.237 -14.907 -5.717 1.00 0.00 O ATOM 290 CB ASP A 19 -2.912 -14.353 -8.625 1.00 0.00 C ATOM 291 CG ASP A 19 -3.241 -15.765 -8.133 1.00 0.00 C ATOM 292 OD1 ASP A 19 -2.329 -16.569 -8.046 1.00 0.00 O ATOM 293 OD2 ASP A 19 -4.402 -16.017 -7.852 1.00 0.00 O ATOM 0 H ASP A 19 -0.829 -14.948 -7.285 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.476 -12.436 -7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.804 -13.889 -9.046 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.171 -14.400 -9.423 1.00 0.00 H new ATOM 298 N GLY A 20 -3.751 -12.778 -5.605 1.00 0.00 N ATOM 299 CA GLY A 20 -4.541 -12.988 -4.359 1.00 0.00 C ATOM 300 C GLY A 20 -3.831 -12.354 -3.162 1.00 0.00 C ATOM 301 O GLY A 20 -4.365 -12.312 -2.072 1.00 0.00 O ATOM 0 H GLY A 20 -3.721 -11.816 -5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.534 -12.553 -4.473 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.679 -14.055 -4.184 1.00 0.00 H new ATOM 305 N VAL A 21 -2.637 -11.856 -3.343 1.00 0.00 N ATOM 306 CA VAL A 21 -1.926 -11.232 -2.190 1.00 0.00 C ATOM 307 C VAL A 21 -2.081 -9.712 -2.217 1.00 0.00 C ATOM 308 O VAL A 21 -2.536 -9.129 -3.180 1.00 0.00 O ATOM 309 CB VAL A 21 -0.452 -11.585 -2.361 1.00 0.00 C ATOM 310 CG1 VAL A 21 0.358 -10.981 -1.216 1.00 0.00 C ATOM 311 CG2 VAL A 21 -0.262 -13.101 -2.359 1.00 0.00 C ATOM 0 H VAL A 21 -2.129 -11.854 -4.227 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.332 -11.593 -1.245 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.108 -11.182 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.411 -11.235 -1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.243 -9.897 -1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.001 -11.379 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.795 -13.335 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.617 -13.511 -1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.829 -13.540 -3.180 1.00 0.00 H new ATOM 321 N SER A 22 -1.679 -9.081 -1.158 1.00 0.00 N ATOM 322 CA SER A 22 -1.755 -7.597 -1.067 1.00 0.00 C ATOM 323 C SER A 22 -0.347 -7.033 -0.844 1.00 0.00 C ATOM 324 O SER A 22 0.541 -7.734 -0.399 1.00 0.00 O ATOM 325 CB SER A 22 -2.642 -7.319 0.148 1.00 0.00 C ATOM 326 OG SER A 22 -2.869 -8.530 0.860 1.00 0.00 O ATOM 0 H SER A 22 -1.292 -9.538 -0.332 1.00 0.00 H new ATOM 0 HA SER A 22 -2.156 -7.137 -1.970 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.165 -6.586 0.799 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.591 -6.890 -0.173 1.00 0.00 H new ATOM 0 HG SER A 22 -3.436 -8.350 1.639 1.00 0.00 H new ATOM 332 N LEU A 23 -0.126 -5.780 -1.138 1.00 0.00 N ATOM 333 CA LEU A 23 1.235 -5.208 -0.921 1.00 0.00 C ATOM 334 C LEU A 23 1.703 -5.527 0.486 1.00 0.00 C ATOM 335 O LEU A 23 2.870 -5.764 0.728 1.00 0.00 O ATOM 336 CB LEU A 23 1.080 -3.691 -1.085 1.00 0.00 C ATOM 337 CG LEU A 23 0.404 -3.383 -2.424 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.656 -1.924 -2.800 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.974 -4.289 -3.517 1.00 0.00 C ATOM 0 H LEU A 23 -0.820 -5.134 -1.515 1.00 0.00 H new ATOM 0 HA LEU A 23 1.964 -5.617 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.487 -3.286 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.057 -3.209 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.667 -3.560 -2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.175 -1.706 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.245 -1.273 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.729 -1.751 -2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.488 -4.064 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.047 -4.118 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.794 -5.332 -3.256 1.00 0.00 H new ATOM 351 N MET A 24 0.804 -5.528 1.422 1.00 0.00 N ATOM 352 CA MET A 24 1.209 -5.824 2.810 1.00 0.00 C ATOM 353 C MET A 24 1.516 -7.295 2.973 1.00 0.00 C ATOM 354 O MET A 24 2.602 -7.660 3.334 1.00 0.00 O ATOM 355 CB MET A 24 0.033 -5.408 3.686 1.00 0.00 C ATOM 356 CG MET A 24 0.173 -6.043 5.067 1.00 0.00 C ATOM 357 SD MET A 24 0.185 -4.747 6.326 1.00 0.00 S ATOM 358 CE MET A 24 -0.178 -5.830 7.723 1.00 0.00 C ATOM 0 H MET A 24 -0.188 -5.337 1.284 1.00 0.00 H new ATOM 0 HA MET A 24 2.116 -5.286 3.087 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.000 -4.322 3.776 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.905 -5.719 3.225 1.00 0.00 H new ATOM 0 HG2 MET A 24 -0.652 -6.733 5.247 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.093 -6.625 5.120 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.415 -5.227 8.599 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.030 -6.465 7.479 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.691 -6.453 7.935 1.00 0.00 H new ATOM 368 N GLN A 25 0.569 -8.131 2.720 1.00 0.00 N ATOM 369 CA GLN A 25 0.788 -9.589 2.891 1.00 0.00 C ATOM 370 C GLN A 25 2.208 -10.007 2.457 1.00 0.00 C ATOM 371 O GLN A 25 3.021 -10.357 3.289 1.00 0.00 O ATOM 372 CB GLN A 25 -0.266 -10.193 1.982 1.00 0.00 C ATOM 373 CG GLN A 25 -0.162 -11.716 1.976 1.00 0.00 C ATOM 374 CD GLN A 25 -1.475 -12.313 1.453 1.00 0.00 C ATOM 375 OE1 GLN A 25 -1.674 -13.510 1.514 1.00 0.00 O ATOM 376 NE2 GLN A 25 -2.390 -11.527 0.937 1.00 0.00 N ATOM 0 H GLN A 25 -0.363 -7.870 2.397 1.00 0.00 H new ATOM 0 HA GLN A 25 0.706 -9.915 3.928 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.259 -9.892 2.317 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.142 -9.811 0.969 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.670 -12.032 1.347 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.042 -12.082 2.982 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.227 -10.521 0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.264 -11.921 0.589 1.00 0.00 H new ATOM 385 N ALA A 26 2.533 -9.976 1.185 1.00 0.00 N ATOM 386 CA ALA A 26 3.924 -10.381 0.790 1.00 0.00 C ATOM 387 C ALA A 26 4.922 -9.679 1.708 1.00 0.00 C ATOM 388 O ALA A 26 5.787 -10.291 2.302 1.00 0.00 O ATOM 389 CB ALA A 26 4.136 -9.904 -0.655 1.00 0.00 C ATOM 0 H ALA A 26 1.917 -9.697 0.422 1.00 0.00 H new ATOM 0 HA ALA A 26 4.064 -11.459 0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.138 -10.178 -0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.398 -10.374 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.022 -8.821 -0.701 1.00 0.00 H new ATOM 395 N ALA A 27 4.796 -8.387 1.816 1.00 0.00 N ATOM 396 CA ALA A 27 5.714 -7.596 2.682 1.00 0.00 C ATOM 397 C ALA A 27 5.619 -8.101 4.124 1.00 0.00 C ATOM 398 O ALA A 27 6.582 -8.559 4.706 1.00 0.00 O ATOM 399 CB ALA A 27 5.166 -6.178 2.561 1.00 0.00 C ATOM 0 H ALA A 27 4.085 -7.837 1.334 1.00 0.00 H new ATOM 0 HA ALA A 27 6.764 -7.666 2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.771 -5.501 3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.200 -5.863 1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.135 -6.155 2.914 1.00 0.00 H new ATOM 405 N VAL A 28 4.440 -8.031 4.670 1.00 0.00 N ATOM 406 CA VAL A 28 4.164 -8.509 6.055 1.00 0.00 C ATOM 407 C VAL A 28 5.104 -9.672 6.417 1.00 0.00 C ATOM 408 O VAL A 28 5.879 -9.594 7.349 1.00 0.00 O ATOM 409 CB VAL A 28 2.695 -8.953 5.933 1.00 0.00 C ATOM 410 CG1 VAL A 28 2.492 -10.409 6.380 1.00 0.00 C ATOM 411 CG2 VAL A 28 1.796 -8.057 6.773 1.00 0.00 C ATOM 0 H VAL A 28 3.623 -7.647 4.195 1.00 0.00 H new ATOM 0 HA VAL A 28 4.325 -7.772 6.842 1.00 0.00 H new ATOM 0 HB VAL A 28 2.430 -8.872 4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.441 -10.678 6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.098 -11.068 5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.793 -10.515 7.422 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.761 -8.385 6.675 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.098 -8.116 7.819 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.884 -7.027 6.428 1.00 0.00 H new ATOM 421 N SER A 29 5.039 -10.739 5.672 1.00 0.00 N ATOM 422 CA SER A 29 5.925 -11.908 5.946 1.00 0.00 C ATOM 423 C SER A 29 7.365 -11.488 5.747 1.00 0.00 C ATOM 424 O SER A 29 8.223 -11.713 6.578 1.00 0.00 O ATOM 425 CB SER A 29 5.522 -12.917 4.894 1.00 0.00 C ATOM 426 OG SER A 29 6.650 -13.283 4.107 1.00 0.00 O ATOM 0 H SER A 29 4.407 -10.854 4.880 1.00 0.00 H new ATOM 0 HA SER A 29 5.833 -12.302 6.958 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.100 -13.801 5.371 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.745 -12.497 4.256 1.00 0.00 H new ATOM 0 HG SER A 29 6.378 -13.938 3.430 1.00 0.00 H new ATOM 432 N ASN A 30 7.619 -10.831 4.652 1.00 0.00 N ATOM 433 CA ASN A 30 8.986 -10.335 4.391 1.00 0.00 C ATOM 434 C ASN A 30 9.372 -9.388 5.523 1.00 0.00 C ATOM 435 O ASN A 30 10.510 -8.983 5.652 1.00 0.00 O ATOM 436 CB ASN A 30 8.871 -9.572 3.071 1.00 0.00 C ATOM 437 CG ASN A 30 9.353 -10.457 1.922 1.00 0.00 C ATOM 438 OD1 ASN A 30 10.537 -10.668 1.755 1.00 0.00 O ATOM 439 ND2 ASN A 30 8.475 -10.986 1.115 1.00 0.00 N ATOM 0 H ASN A 30 6.933 -10.618 3.928 1.00 0.00 H new ATOM 0 HA ASN A 30 9.737 -11.123 4.335 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.837 -9.271 2.902 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.465 -8.659 3.114 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.783 -11.577 0.343 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.481 -10.808 1.256 1.00 0.00 H new ATOM 446 N GLY A 31 8.418 -9.024 6.346 1.00 0.00 N ATOM 447 CA GLY A 31 8.731 -8.091 7.469 1.00 0.00 C ATOM 448 C GLY A 31 8.734 -6.660 6.945 1.00 0.00 C ATOM 449 O GLY A 31 8.856 -5.716 7.699 1.00 0.00 O ATOM 0 H GLY A 31 7.447 -9.330 6.289 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.993 -8.199 8.264 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.702 -8.335 7.901 1.00 0.00 H new ATOM 453 N ILE A 32 8.589 -6.492 5.658 1.00 0.00 N ATOM 454 CA ILE A 32 8.566 -5.120 5.089 1.00 0.00 C ATOM 455 C ILE A 32 7.705 -4.225 5.986 1.00 0.00 C ATOM 456 O ILE A 32 7.947 -3.042 6.115 1.00 0.00 O ATOM 457 CB ILE A 32 7.950 -5.296 3.701 1.00 0.00 C ATOM 458 CG1 ILE A 32 8.989 -5.897 2.751 1.00 0.00 C ATOM 459 CG2 ILE A 32 7.490 -3.945 3.150 1.00 0.00 C ATOM 460 CD1 ILE A 32 8.332 -6.190 1.399 1.00 0.00 C ATOM 0 H ILE A 32 8.486 -7.246 4.979 1.00 0.00 H new ATOM 0 HA ILE A 32 9.548 -4.650 5.026 1.00 0.00 H new ATOM 0 HB ILE A 32 7.091 -5.962 3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.822 -5.206 2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.399 -6.814 3.175 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.053 -4.085 2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.744 -3.514 3.818 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.344 -3.272 3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.070 -6.618 0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.514 -6.897 1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.944 -5.264 0.975 1.00 0.00 H new ATOM 472 N TYR A 33 6.711 -4.791 6.624 1.00 0.00 N ATOM 473 CA TYR A 33 5.847 -3.976 7.531 1.00 0.00 C ATOM 474 C TYR A 33 6.086 -4.324 8.994 1.00 0.00 C ATOM 475 O TYR A 33 5.178 -4.723 9.696 1.00 0.00 O ATOM 476 CB TYR A 33 4.414 -4.323 7.174 1.00 0.00 C ATOM 477 CG TYR A 33 4.074 -3.662 5.882 1.00 0.00 C ATOM 478 CD1 TYR A 33 3.825 -2.285 5.833 1.00 0.00 C ATOM 479 CD2 TYR A 33 4.007 -4.432 4.735 1.00 0.00 C ATOM 480 CE1 TYR A 33 3.503 -1.681 4.609 1.00 0.00 C ATOM 481 CE2 TYR A 33 3.690 -3.843 3.518 1.00 0.00 C ATOM 482 CZ TYR A 33 3.432 -2.464 3.445 1.00 0.00 C ATOM 483 OH TYR A 33 3.115 -1.880 2.236 1.00 0.00 O ATOM 0 H TYR A 33 6.462 -5.778 6.556 1.00 0.00 H new ATOM 0 HA TYR A 33 6.068 -2.916 7.406 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.296 -5.403 7.089 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.737 -3.989 7.960 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.881 -1.691 6.733 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.202 -5.493 4.786 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.311 -0.619 4.562 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.642 -4.447 2.624 1.00 0.00 H new ATOM 0 HH TYR A 33 3.110 -2.564 1.534 1.00 0.00 H new ATOM 559 N CYS A 39 -5.122 -4.808 11.243 1.00 0.00 N ATOM 560 CA CYS A 39 -5.533 -5.398 9.936 1.00 0.00 C ATOM 561 C CYS A 39 -5.234 -6.896 9.881 1.00 0.00 C ATOM 562 O CYS A 39 -6.023 -7.659 9.367 1.00 0.00 O ATOM 563 CB CYS A 39 -4.693 -4.627 8.936 1.00 0.00 C ATOM 564 SG CYS A 39 -2.943 -4.827 9.349 1.00 0.00 S ATOM 0 HA CYS A 39 -6.604 -5.318 9.747 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.884 -4.990 7.926 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.964 -3.571 8.952 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.283 -3.777 8.960 1.00 0.00 H new ATOM 569 N GLY A 40 -4.113 -7.335 10.398 1.00 0.00 N ATOM 570 CA GLY A 40 -3.801 -8.792 10.336 1.00 0.00 C ATOM 571 C GLY A 40 -4.155 -9.290 8.935 1.00 0.00 C ATOM 572 O GLY A 40 -4.569 -10.416 8.742 1.00 0.00 O ATOM 0 H GLY A 40 -3.410 -6.754 10.854 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.746 -8.965 10.547 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.370 -9.336 11.089 1.00 0.00 H new ATOM 576 N GLY A 41 -4.021 -8.429 7.960 1.00 0.00 N ATOM 577 CA GLY A 41 -4.373 -8.808 6.566 1.00 0.00 C ATOM 578 C GLY A 41 -5.891 -8.694 6.394 1.00 0.00 C ATOM 579 O GLY A 41 -6.506 -9.475 5.696 1.00 0.00 O ATOM 0 H GLY A 41 -3.680 -7.474 8.074 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.862 -8.156 5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.044 -9.826 6.357 1.00 0.00 H new ATOM 583 N SER A 42 -6.502 -7.729 7.037 1.00 0.00 N ATOM 584 CA SER A 42 -7.981 -7.578 6.917 1.00 0.00 C ATOM 585 C SER A 42 -8.395 -6.104 6.821 1.00 0.00 C ATOM 586 O SER A 42 -9.562 -5.796 6.673 1.00 0.00 O ATOM 587 CB SER A 42 -8.552 -8.218 8.181 1.00 0.00 C ATOM 588 OG SER A 42 -9.948 -8.428 8.011 1.00 0.00 O ATOM 0 H SER A 42 -6.041 -7.044 7.636 1.00 0.00 H new ATOM 0 HA SER A 42 -8.355 -8.051 6.009 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.052 -9.166 8.381 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.371 -7.574 9.042 1.00 0.00 H new ATOM 0 HG SER A 42 -10.333 -7.678 7.512 1.00 0.00 H new ATOM 594 N ALA A 43 -7.452 -5.197 6.870 1.00 0.00 N ATOM 595 CA ALA A 43 -7.775 -3.737 6.741 1.00 0.00 C ATOM 596 C ALA A 43 -8.353 -3.128 8.022 1.00 0.00 C ATOM 597 O ALA A 43 -9.409 -2.527 8.028 1.00 0.00 O ATOM 598 CB ALA A 43 -8.785 -3.643 5.616 1.00 0.00 C ATOM 0 H ALA A 43 -6.461 -5.405 6.995 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.864 -3.173 6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.067 -2.601 5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.346 -4.036 4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.670 -4.225 5.872 1.00 0.00 H new ATOM 604 N SER A 44 -7.631 -3.231 9.076 1.00 0.00 N ATOM 605 CA SER A 44 -8.041 -2.610 10.362 1.00 0.00 C ATOM 606 C SER A 44 -6.814 -1.889 10.919 1.00 0.00 C ATOM 607 O SER A 44 -6.629 -1.784 12.115 1.00 0.00 O ATOM 608 CB SER A 44 -8.459 -3.769 11.270 1.00 0.00 C ATOM 609 OG SER A 44 -8.503 -4.973 10.513 1.00 0.00 O ATOM 0 H SER A 44 -6.744 -3.733 9.113 1.00 0.00 H new ATOM 0 HA SER A 44 -8.859 -1.896 10.268 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.754 -3.871 12.095 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.436 -3.567 11.709 1.00 0.00 H new ATOM 0 HG SER A 44 -8.769 -5.716 11.095 1.00 0.00 H new ATOM 615 N CYS A 45 -5.926 -1.465 10.050 1.00 0.00 N ATOM 616 CA CYS A 45 -4.661 -0.840 10.542 1.00 0.00 C ATOM 617 C CYS A 45 -4.523 0.655 10.277 1.00 0.00 C ATOM 618 O CYS A 45 -4.851 1.154 9.235 1.00 0.00 O ATOM 619 CB CYS A 45 -3.536 -1.593 9.824 1.00 0.00 C ATOM 620 SG CYS A 45 -3.878 -1.724 8.050 1.00 0.00 S ATOM 0 H CYS A 45 -6.022 -1.524 9.036 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.637 -0.919 11.629 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.589 -1.075 9.979 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.428 -2.589 10.253 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.297 -2.785 7.573 1.00 0.00 H new ATOM 625 N ALA A 46 -3.956 1.355 11.221 1.00 0.00 N ATOM 626 CA ALA A 46 -3.702 2.808 11.037 1.00 0.00 C ATOM 627 C ALA A 46 -2.188 3.024 10.918 1.00 0.00 C ATOM 628 O ALA A 46 -1.701 4.136 10.945 1.00 0.00 O ATOM 629 CB ALA A 46 -4.242 3.486 12.296 1.00 0.00 C ATOM 0 H ALA A 46 -3.656 0.977 12.119 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.178 3.212 10.143 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.086 4.562 12.225 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.308 3.280 12.392 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.718 3.100 13.170 1.00 0.00 H new ATOM 635 N THR A 47 -1.438 1.956 10.812 1.00 0.00 N ATOM 636 CA THR A 47 0.044 2.087 10.708 1.00 0.00 C ATOM 637 C THR A 47 0.535 1.687 9.310 1.00 0.00 C ATOM 638 O THR A 47 1.529 2.192 8.828 1.00 0.00 O ATOM 639 CB THR A 47 0.603 1.133 11.767 1.00 0.00 C ATOM 640 OG1 THR A 47 0.556 -0.199 11.274 1.00 0.00 O ATOM 641 CG2 THR A 47 -0.227 1.234 13.049 1.00 0.00 C ATOM 0 H THR A 47 -1.790 0.999 10.793 1.00 0.00 H new ATOM 0 HA THR A 47 0.371 3.115 10.866 1.00 0.00 H new ATOM 0 HB THR A 47 1.635 1.405 11.988 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.915 -0.811 11.950 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.176 0.553 13.798 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.188 2.255 13.428 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.262 0.966 12.835 1.00 0.00 H new ATOM 649 N CYS A 48 -0.149 0.784 8.652 1.00 0.00 N ATOM 650 CA CYS A 48 0.301 0.366 7.285 1.00 0.00 C ATOM 651 C CYS A 48 -0.228 1.336 6.222 1.00 0.00 C ATOM 652 O CYS A 48 -0.493 0.952 5.108 1.00 0.00 O ATOM 653 CB CYS A 48 -0.255 -1.049 7.035 1.00 0.00 C ATOM 654 SG CYS A 48 -0.468 -2.000 8.559 1.00 0.00 S ATOM 0 H CYS A 48 -0.991 0.322 8.996 1.00 0.00 H new ATOM 0 HA CYS A 48 1.389 0.373 7.224 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.214 -0.972 6.524 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.419 -1.587 6.368 1.00 0.00 H new ATOM 0 HG CYS A 48 0.047 -1.343 9.556 1.00 0.00 H new ATOM 659 N HIS A 49 -0.373 2.594 6.544 1.00 0.00 N ATOM 660 CA HIS A 49 -0.873 3.567 5.523 1.00 0.00 C ATOM 661 C HIS A 49 0.059 3.560 4.302 1.00 0.00 C ATOM 662 O HIS A 49 1.266 3.597 4.440 1.00 0.00 O ATOM 663 CB HIS A 49 -0.828 4.928 6.226 1.00 0.00 C ATOM 664 CG HIS A 49 -1.649 5.937 5.460 1.00 0.00 C ATOM 665 ND1 HIS A 49 -2.113 7.110 6.042 1.00 0.00 N ATOM 666 CD2 HIS A 49 -2.089 5.973 4.159 1.00 0.00 C ATOM 667 CE1 HIS A 49 -2.795 7.790 5.100 1.00 0.00 C ATOM 668 NE2 HIS A 49 -2.811 7.142 3.938 1.00 0.00 N ATOM 0 H HIS A 49 -0.169 2.990 7.462 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.874 3.326 5.166 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.210 4.833 7.242 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.204 5.271 6.304 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.903 5.209 3.419 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.271 8.745 5.268 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -3.257 7.439 3.070 1.00 0.00 H new ATOM 676 N VAL A 50 -0.479 3.517 3.106 1.00 0.00 N ATOM 677 CA VAL A 50 0.399 3.511 1.900 1.00 0.00 C ATOM 678 C VAL A 50 -0.286 4.167 0.724 1.00 0.00 C ATOM 679 O VAL A 50 -1.494 4.263 0.648 1.00 0.00 O ATOM 680 CB VAL A 50 0.631 2.059 1.535 1.00 0.00 C ATOM 681 CG1 VAL A 50 1.333 1.352 2.680 1.00 0.00 C ATOM 682 CG2 VAL A 50 -0.722 1.410 1.236 1.00 0.00 C ATOM 0 H VAL A 50 -1.481 3.486 2.917 1.00 0.00 H new ATOM 0 HA VAL A 50 1.321 4.050 2.119 1.00 0.00 H new ATOM 0 HB VAL A 50 1.266 1.983 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.499 0.308 2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.291 1.834 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.713 1.406 3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.573 0.363 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.359 1.474 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.199 1.930 0.405 1.00 0.00 H new ATOM 692 N TYR A 51 0.494 4.584 -0.207 1.00 0.00 N ATOM 693 CA TYR A 51 -0.065 5.205 -1.420 1.00 0.00 C ATOM 694 C TYR A 51 0.395 4.451 -2.659 1.00 0.00 C ATOM 695 O TYR A 51 1.555 4.120 -2.801 1.00 0.00 O ATOM 696 CB TYR A 51 0.448 6.626 -1.379 1.00 0.00 C ATOM 697 CG TYR A 51 -0.461 7.379 -0.455 1.00 0.00 C ATOM 698 CD1 TYR A 51 -0.351 7.229 0.938 1.00 0.00 C ATOM 699 CD2 TYR A 51 -1.446 8.200 -0.993 1.00 0.00 C ATOM 700 CE1 TYR A 51 -1.231 7.913 1.782 1.00 0.00 C ATOM 701 CE2 TYR A 51 -2.319 8.882 -0.152 1.00 0.00 C ATOM 702 CZ TYR A 51 -2.214 8.743 1.238 1.00 0.00 C ATOM 703 OH TYR A 51 -3.083 9.419 2.069 1.00 0.00 O ATOM 0 H TYR A 51 1.512 4.522 -0.183 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.154 5.180 -1.459 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.477 6.657 -1.021 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.443 7.069 -2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.411 6.587 1.355 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.533 8.308 -2.064 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.151 7.800 2.853 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.081 9.521 -0.572 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.817 10.360 2.125 1.00 0.00 H new ATOM 713 N VAL A 52 -0.498 4.179 -3.561 1.00 0.00 N ATOM 714 CA VAL A 52 -0.081 3.448 -4.794 1.00 0.00 C ATOM 715 C VAL A 52 0.300 4.479 -5.880 1.00 0.00 C ATOM 716 O VAL A 52 -0.155 5.604 -5.832 1.00 0.00 O ATOM 717 CB VAL A 52 -1.290 2.623 -5.219 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.874 1.637 -6.326 1.00 0.00 C ATOM 719 CG2 VAL A 52 -1.796 1.839 -4.012 1.00 0.00 C ATOM 0 H VAL A 52 -1.486 4.425 -3.505 1.00 0.00 H new ATOM 0 HA VAL A 52 0.783 2.804 -4.631 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.074 3.280 -5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.738 1.046 -6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.493 2.192 -7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.096 0.974 -5.949 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.662 1.244 -4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.007 1.180 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.081 2.533 -3.221 1.00 0.00 H new ATOM 729 N ASN A 53 1.110 4.136 -6.861 1.00 0.00 N ATOM 730 CA ASN A 53 1.452 5.157 -7.905 1.00 0.00 C ATOM 731 C ASN A 53 0.164 5.625 -8.582 1.00 0.00 C ATOM 732 O ASN A 53 -0.906 5.508 -8.030 1.00 0.00 O ATOM 733 CB ASN A 53 2.341 4.428 -8.914 1.00 0.00 C ATOM 734 CG ASN A 53 1.701 3.087 -9.237 1.00 0.00 C ATOM 735 OD1 ASN A 53 0.760 3.022 -10.002 1.00 0.00 O ATOM 736 ND2 ASN A 53 2.158 2.015 -8.666 1.00 0.00 N ATOM 0 H ASN A 53 1.538 3.218 -6.981 1.00 0.00 H new ATOM 0 HA ASN A 53 1.954 6.030 -7.488 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.453 5.023 -9.820 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.340 4.282 -8.503 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.727 1.111 -8.859 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.949 2.076 -8.024 1.00 0.00 H new ATOM 743 N GLU A 54 0.250 6.146 -9.772 1.00 0.00 N ATOM 744 CA GLU A 54 -0.987 6.599 -10.471 1.00 0.00 C ATOM 745 C GLU A 54 -1.421 5.559 -11.514 1.00 0.00 C ATOM 746 O GLU A 54 -2.461 5.685 -12.130 1.00 0.00 O ATOM 747 CB GLU A 54 -0.599 7.912 -11.151 1.00 0.00 C ATOM 748 CG GLU A 54 0.482 7.644 -12.200 1.00 0.00 C ATOM 749 CD GLU A 54 1.752 8.414 -11.831 1.00 0.00 C ATOM 750 OE1 GLU A 54 2.506 7.916 -11.011 1.00 0.00 O ATOM 751 OE2 GLU A 54 1.949 9.487 -12.377 1.00 0.00 O ATOM 0 H GLU A 54 1.118 6.278 -10.291 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.825 6.727 -9.785 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.473 8.362 -11.621 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.233 8.623 -10.410 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.694 6.576 -12.255 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.131 7.950 -13.186 1.00 0.00 H new ATOM 758 N ALA A 55 -0.616 4.553 -11.744 1.00 0.00 N ATOM 759 CA ALA A 55 -0.971 3.533 -12.778 1.00 0.00 C ATOM 760 C ALA A 55 -1.552 2.242 -12.176 1.00 0.00 C ATOM 761 O ALA A 55 -2.452 1.653 -12.736 1.00 0.00 O ATOM 762 CB ALA A 55 0.348 3.232 -13.490 1.00 0.00 C ATOM 0 H ALA A 55 0.269 4.394 -11.263 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.748 3.913 -13.441 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.179 2.489 -14.269 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.736 4.146 -13.939 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.070 2.846 -12.770 1.00 0.00 H new ATOM 768 N PHE A 56 -1.029 1.771 -11.072 1.00 0.00 N ATOM 769 CA PHE A 56 -1.551 0.490 -10.493 1.00 0.00 C ATOM 770 C PHE A 56 -2.784 0.725 -9.611 1.00 0.00 C ATOM 771 O PHE A 56 -3.332 -0.199 -9.045 1.00 0.00 O ATOM 772 CB PHE A 56 -0.383 -0.079 -9.682 1.00 0.00 C ATOM 773 CG PHE A 56 0.677 -0.572 -10.652 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.559 0.356 -11.227 1.00 0.00 C ATOM 775 CD2 PHE A 56 0.779 -1.938 -11.013 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.519 -0.063 -12.150 1.00 0.00 C ATOM 777 CE2 PHE A 56 1.745 -2.342 -11.930 1.00 0.00 C ATOM 778 CZ PHE A 56 2.610 -1.409 -12.505 1.00 0.00 C ATOM 0 H PHE A 56 -0.271 2.210 -10.549 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.883 -0.198 -11.270 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.031 0.686 -9.024 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.725 -0.896 -9.046 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.495 1.399 -10.954 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.109 -2.664 -10.578 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.193 0.657 -12.590 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.826 -3.385 -12.199 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.349 -1.729 -13.224 1.00 0.00 H new ATOM 788 N THR A 57 -3.240 1.942 -9.502 1.00 0.00 N ATOM 789 CA THR A 57 -4.453 2.205 -8.670 1.00 0.00 C ATOM 790 C THR A 57 -5.713 1.856 -9.475 1.00 0.00 C ATOM 791 O THR A 57 -6.547 1.083 -9.046 1.00 0.00 O ATOM 792 CB THR A 57 -4.427 3.704 -8.367 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.884 4.423 -9.504 1.00 0.00 O ATOM 794 CG2 THR A 57 -3.002 4.135 -8.031 1.00 0.00 C ATOM 0 H THR A 57 -2.830 2.762 -9.949 1.00 0.00 H new ATOM 0 HA THR A 57 -4.461 1.609 -7.757 1.00 0.00 H new ATOM 0 HB THR A 57 -5.077 3.913 -7.517 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.870 5.384 -9.311 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.986 5.203 -7.816 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.651 3.584 -7.159 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.349 3.926 -8.879 1.00 0.00 H new ATOM 802 N ASP A 58 -5.846 2.428 -10.645 1.00 0.00 N ATOM 803 CA ASP A 58 -7.038 2.152 -11.506 1.00 0.00 C ATOM 804 C ASP A 58 -7.089 0.673 -11.893 1.00 0.00 C ATOM 805 O ASP A 58 -8.075 0.179 -12.404 1.00 0.00 O ATOM 806 CB ASP A 58 -6.820 3.022 -12.746 1.00 0.00 C ATOM 807 CG ASP A 58 -5.778 2.371 -13.661 1.00 0.00 C ATOM 808 OD1 ASP A 58 -4.723 2.014 -13.165 1.00 0.00 O ATOM 809 OD2 ASP A 58 -6.054 2.241 -14.842 1.00 0.00 O ATOM 0 H ASP A 58 -5.173 3.081 -11.045 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.978 2.374 -11.000 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.760 3.148 -13.283 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.486 4.016 -12.450 1.00 0.00 H new ATOM 814 N LYS A 59 -6.026 -0.028 -11.647 1.00 0.00 N ATOM 815 CA LYS A 59 -5.968 -1.479 -11.984 1.00 0.00 C ATOM 816 C LYS A 59 -6.684 -2.270 -10.926 1.00 0.00 C ATOM 817 O LYS A 59 -7.558 -3.077 -11.170 1.00 0.00 O ATOM 818 CB LYS A 59 -4.490 -1.831 -11.863 1.00 0.00 C ATOM 819 CG LYS A 59 -3.648 -0.763 -12.568 1.00 0.00 C ATOM 820 CD LYS A 59 -4.220 -0.506 -13.964 1.00 0.00 C ATOM 821 CE LYS A 59 -4.022 -1.748 -14.835 1.00 0.00 C ATOM 822 NZ LYS A 59 -5.398 -2.208 -15.167 1.00 0.00 N ATOM 0 H LYS A 59 -5.178 0.345 -11.220 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.407 -1.688 -12.960 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.206 -1.897 -10.813 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.301 -2.809 -12.306 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.649 0.159 -11.987 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.611 -1.092 -12.642 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.280 -0.263 -13.895 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.725 0.352 -14.419 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.456 -1.512 -15.736 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.466 -2.519 -14.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.396 -2.662 -16.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.718 -2.892 -14.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.043 -1.392 -15.179 1.00 0.00 H new ATOM 836 N VAL A 60 -6.239 -2.045 -9.747 1.00 0.00 N ATOM 837 CA VAL A 60 -6.753 -2.744 -8.573 1.00 0.00 C ATOM 838 C VAL A 60 -8.011 -2.042 -8.051 1.00 0.00 C ATOM 839 O VAL A 60 -8.212 -0.868 -8.290 1.00 0.00 O ATOM 840 CB VAL A 60 -5.541 -2.627 -7.647 1.00 0.00 C ATOM 841 CG1 VAL A 60 -5.744 -1.541 -6.598 1.00 0.00 C ATOM 842 CG2 VAL A 60 -5.253 -3.971 -7.006 1.00 0.00 C ATOM 0 H VAL A 60 -5.502 -1.370 -9.541 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.081 -3.773 -8.717 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.676 -2.333 -8.242 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.864 -1.485 -5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.895 -0.581 -7.092 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.619 -1.779 -5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.389 -3.882 -6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.119 -4.291 -6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.044 -4.707 -7.782 1.00 0.00 H new ATOM 852 N PRO A 61 -8.823 -2.793 -7.364 1.00 0.00 N ATOM 853 CA PRO A 61 -10.086 -2.245 -6.812 1.00 0.00 C ATOM 854 C PRO A 61 -9.830 -1.143 -5.805 1.00 0.00 C ATOM 855 O PRO A 61 -8.760 -1.010 -5.243 1.00 0.00 O ATOM 856 CB PRO A 61 -10.754 -3.450 -6.164 1.00 0.00 C ATOM 857 CG PRO A 61 -9.633 -4.401 -5.896 1.00 0.00 C ATOM 858 CD PRO A 61 -8.650 -4.207 -7.022 1.00 0.00 C ATOM 0 HA PRO A 61 -10.707 -1.782 -7.579 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.267 -3.172 -5.243 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.500 -3.892 -6.824 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.168 -4.195 -4.932 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.992 -5.430 -5.864 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.629 -4.426 -6.710 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.871 -4.858 -7.868 1.00 0.00 H new ATOM 866 N ALA A 62 -10.825 -0.347 -5.601 1.00 0.00 N ATOM 867 CA ALA A 62 -10.716 0.783 -4.659 1.00 0.00 C ATOM 868 C ALA A 62 -10.908 0.304 -3.224 1.00 0.00 C ATOM 869 O ALA A 62 -10.932 -0.877 -2.942 1.00 0.00 O ATOM 870 CB ALA A 62 -11.845 1.711 -5.084 1.00 0.00 C ATOM 0 H ALA A 62 -11.732 -0.434 -6.059 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.741 1.270 -4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.853 2.592 -4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.694 2.018 -6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.798 1.189 -4.996 1.00 0.00 H new ATOM 876 N ALA A 63 -11.035 1.224 -2.320 1.00 0.00 N ATOM 877 CA ALA A 63 -11.218 0.851 -0.888 1.00 0.00 C ATOM 878 C ALA A 63 -12.641 1.178 -0.414 1.00 0.00 C ATOM 879 O ALA A 63 -13.357 1.931 -1.042 1.00 0.00 O ATOM 880 CB ALA A 63 -10.188 1.700 -0.153 1.00 0.00 C ATOM 0 H ALA A 63 -11.021 2.227 -2.507 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.084 -0.216 -0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.244 1.496 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.190 1.457 -0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.392 2.756 -0.332 1.00 0.00 H new ATOM 886 N ASN A 64 -13.058 0.604 0.688 1.00 0.00 N ATOM 887 CA ASN A 64 -14.438 0.869 1.199 1.00 0.00 C ATOM 888 C ASN A 64 -14.424 1.896 2.336 1.00 0.00 C ATOM 889 O ASN A 64 -13.519 2.697 2.459 1.00 0.00 O ATOM 890 CB ASN A 64 -14.933 -0.478 1.723 1.00 0.00 C ATOM 891 CG ASN A 64 -14.033 -0.941 2.871 1.00 0.00 C ATOM 892 OD1 ASN A 64 -13.179 -0.205 3.324 1.00 0.00 O ATOM 893 ND2 ASN A 64 -14.188 -2.140 3.364 1.00 0.00 N ATOM 0 H ASN A 64 -12.502 -0.036 1.255 1.00 0.00 H new ATOM 0 HA ASN A 64 -15.078 1.278 0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.963 -0.390 2.067 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -14.927 -1.217 0.921 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.592 -2.458 4.129 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.905 -2.759 2.985 1.00 0.00 H new ATOM 900 N GLU A 65 -15.433 1.870 3.167 1.00 0.00 N ATOM 901 CA GLU A 65 -15.507 2.831 4.306 1.00 0.00 C ATOM 902 C GLU A 65 -14.503 2.442 5.395 1.00 0.00 C ATOM 903 O GLU A 65 -14.003 3.281 6.117 1.00 0.00 O ATOM 904 CB GLU A 65 -16.943 2.712 4.820 1.00 0.00 C ATOM 905 CG GLU A 65 -17.093 1.433 5.648 1.00 0.00 C ATOM 906 CD GLU A 65 -18.542 0.945 5.576 1.00 0.00 C ATOM 907 OE1 GLU A 65 -19.420 1.778 5.427 1.00 0.00 O ATOM 908 OE2 GLU A 65 -18.748 -0.254 5.672 1.00 0.00 O ATOM 0 H GLU A 65 -16.215 1.218 3.104 1.00 0.00 H new ATOM 0 HA GLU A 65 -15.263 3.851 4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -17.195 3.581 5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.639 2.697 3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -16.420 0.663 5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.813 1.623 6.684 1.00 0.00 H new ATOM 915 N ARG A 66 -14.192 1.179 5.510 1.00 0.00 N ATOM 916 CA ARG A 66 -13.206 0.754 6.544 1.00 0.00 C ATOM 917 C ARG A 66 -11.850 1.355 6.221 1.00 0.00 C ATOM 918 O ARG A 66 -11.209 1.959 7.053 1.00 0.00 O ATOM 919 CB ARG A 66 -13.111 -0.767 6.431 1.00 0.00 C ATOM 920 CG ARG A 66 -13.391 -1.395 7.795 1.00 0.00 C ATOM 921 CD ARG A 66 -13.402 -2.919 7.658 1.00 0.00 C ATOM 922 NE ARG A 66 -14.506 -3.212 6.703 1.00 0.00 N ATOM 923 CZ ARG A 66 -14.807 -4.448 6.414 1.00 0.00 C ATOM 924 NH1 ARG A 66 -13.892 -5.376 6.479 1.00 0.00 N ATOM 925 NH2 ARG A 66 -16.025 -4.757 6.060 1.00 0.00 N ATOM 0 H ARG A 66 -14.575 0.428 4.937 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.505 1.074 7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.827 -1.134 5.696 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.120 -1.056 6.082 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.630 -1.088 8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.350 -1.046 8.179 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.447 -3.288 7.283 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.574 -3.401 8.621 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.027 -2.447 6.275 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.940 -5.135 6.756 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.128 -6.342 6.253 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.741 -4.032 6.009 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.261 -5.723 5.834 1.00 0.00 H new ATOM 939 N GLU A 67 -11.413 1.184 5.011 1.00 0.00 N ATOM 940 CA GLU A 67 -10.091 1.722 4.600 1.00 0.00 C ATOM 941 C GLU A 67 -10.114 3.251 4.457 1.00 0.00 C ATOM 942 O GLU A 67 -9.221 3.832 3.885 1.00 0.00 O ATOM 943 CB GLU A 67 -9.838 1.056 3.253 1.00 0.00 C ATOM 944 CG GLU A 67 -8.654 1.721 2.560 1.00 0.00 C ATOM 945 CD GLU A 67 -8.110 0.777 1.493 1.00 0.00 C ATOM 946 OE1 GLU A 67 -8.846 -0.105 1.083 1.00 0.00 O ATOM 947 OE2 GLU A 67 -6.970 0.951 1.105 1.00 0.00 O ATOM 0 H GLU A 67 -11.921 0.688 4.279 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.314 1.516 5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.638 -0.006 3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.727 1.133 2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.963 2.663 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.876 1.957 3.286 1.00 0.00 H new ATOM 954 N ILE A 68 -11.115 3.915 4.962 1.00 0.00 N ATOM 955 CA ILE A 68 -11.144 5.399 4.839 1.00 0.00 C ATOM 956 C ILE A 68 -10.480 6.048 6.069 1.00 0.00 C ATOM 957 O ILE A 68 -9.679 6.952 5.943 1.00 0.00 O ATOM 958 CB ILE A 68 -12.640 5.750 4.717 1.00 0.00 C ATOM 959 CG1 ILE A 68 -12.964 6.066 3.255 1.00 0.00 C ATOM 960 CG2 ILE A 68 -12.995 6.967 5.580 1.00 0.00 C ATOM 961 CD1 ILE A 68 -12.363 4.988 2.350 1.00 0.00 C ATOM 0 H ILE A 68 -11.908 3.499 5.451 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.586 5.772 3.980 1.00 0.00 H new ATOM 0 HB ILE A 68 -13.223 4.896 5.063 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -14.044 6.113 3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.564 7.044 2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.056 7.191 5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.773 6.749 6.625 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.408 7.827 5.256 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.595 5.215 1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.281 4.963 2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.784 4.017 2.612 1.00 0.00 H new ATOM 973 N GLY A 69 -10.809 5.599 7.255 1.00 0.00 N ATOM 974 CA GLY A 69 -10.191 6.209 8.475 1.00 0.00 C ATOM 975 C GLY A 69 -8.848 5.539 8.763 1.00 0.00 C ATOM 976 O GLY A 69 -7.817 6.181 8.763 1.00 0.00 O ATOM 0 H GLY A 69 -11.472 4.844 7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.050 7.279 8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.857 6.091 9.329 1.00 0.00 H new ATOM 980 N MET A 70 -8.838 4.254 8.996 1.00 0.00 N ATOM 981 CA MET A 70 -7.535 3.577 9.265 1.00 0.00 C ATOM 982 C MET A 70 -6.550 4.009 8.208 1.00 0.00 C ATOM 983 O MET A 70 -5.431 4.332 8.494 1.00 0.00 O ATOM 984 CB MET A 70 -7.781 2.082 9.106 1.00 0.00 C ATOM 985 CG MET A 70 -8.589 1.825 7.838 1.00 0.00 C ATOM 986 SD MET A 70 -9.349 0.198 7.953 1.00 0.00 S ATOM 987 CE MET A 70 -8.184 -0.603 6.842 1.00 0.00 C ATOM 0 H MET A 70 -9.661 3.651 9.012 1.00 0.00 H new ATOM 0 HA MET A 70 -7.152 3.820 10.256 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.831 1.551 9.057 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.317 1.698 9.974 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.355 2.591 7.717 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.943 1.879 6.962 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.690 -1.401 6.298 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.795 0.129 6.134 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.360 -1.023 7.419 1.00 0.00 H new ATOM 997 N LEU A 71 -6.972 4.039 6.984 1.00 0.00 N ATOM 998 CA LEU A 71 -6.055 4.485 5.917 1.00 0.00 C ATOM 999 C LEU A 71 -5.689 5.935 6.210 1.00 0.00 C ATOM 1000 O LEU A 71 -4.562 6.339 6.057 1.00 0.00 O ATOM 1001 CB LEU A 71 -6.881 4.335 4.641 1.00 0.00 C ATOM 1002 CG LEU A 71 -6.079 4.666 3.362 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -6.926 5.592 2.490 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -4.765 5.382 3.686 1.00 0.00 C ATOM 0 H LEU A 71 -7.909 3.775 6.678 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.122 3.927 5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.255 3.313 4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.750 4.990 4.698 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.845 3.731 2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.377 5.838 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.858 5.092 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.147 6.507 3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.230 5.597 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.978 6.315 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.150 4.744 4.320 1.00 0.00 H new ATOM 1016 N GLU A 72 -6.630 6.709 6.673 1.00 0.00 N ATOM 1017 CA GLU A 72 -6.332 8.129 7.013 1.00 0.00 C ATOM 1018 C GLU A 72 -5.740 8.215 8.430 1.00 0.00 C ATOM 1019 O GLU A 72 -5.901 9.196 9.128 1.00 0.00 O ATOM 1020 CB GLU A 72 -7.690 8.838 6.934 1.00 0.00 C ATOM 1021 CG GLU A 72 -7.614 10.207 7.618 1.00 0.00 C ATOM 1022 CD GLU A 72 -8.404 11.231 6.800 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -9.622 11.167 6.827 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -7.777 12.060 6.162 1.00 0.00 O ATOM 0 H GLU A 72 -7.595 6.419 6.831 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.601 8.583 6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.984 8.960 5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.456 8.227 7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.018 10.143 8.628 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.575 10.523 7.709 1.00 0.00 H new ATOM 1031 N CYS A 73 -5.056 7.194 8.872 1.00 0.00 N ATOM 1032 CA CYS A 73 -4.479 7.261 10.251 1.00 0.00 C ATOM 1033 C CYS A 73 -3.756 8.588 10.391 1.00 0.00 C ATOM 1034 O CYS A 73 -4.272 9.555 10.915 1.00 0.00 O ATOM 1035 CB CYS A 73 -3.445 6.121 10.417 1.00 0.00 C ATOM 1036 SG CYS A 73 -3.020 5.267 8.873 1.00 0.00 S ATOM 0 H CYS A 73 -4.873 6.334 8.354 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.265 7.164 10.999 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.535 6.533 10.853 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.837 5.392 11.126 1.00 0.00 H new ATOM 0 HG CYS A 73 -4.079 4.684 8.394 1.00 0.00 H new ATOM 1042 N VAL A 74 -2.559 8.627 9.889 1.00 0.00 N ATOM 1043 CA VAL A 74 -1.758 9.877 9.934 1.00 0.00 C ATOM 1044 C VAL A 74 -2.192 10.797 8.787 1.00 0.00 C ATOM 1045 O VAL A 74 -2.262 10.384 7.649 1.00 0.00 O ATOM 1046 CB VAL A 74 -0.306 9.422 9.741 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -0.048 8.146 10.551 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -0.044 9.128 8.261 1.00 0.00 C ATOM 0 H VAL A 74 -2.094 7.836 9.443 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.886 10.431 10.864 1.00 0.00 H new ATOM 0 HB VAL A 74 0.357 10.217 10.082 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.985 7.828 10.410 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.225 8.344 11.608 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.720 7.358 10.212 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.989 8.805 8.131 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.716 8.339 7.922 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.219 10.030 7.674 1.00 0.00 H new ATOM 1058 N THR A 75 -2.490 12.032 9.079 1.00 0.00 N ATOM 1059 CA THR A 75 -2.925 12.980 8.011 1.00 0.00 C ATOM 1060 C THR A 75 -1.966 12.935 6.816 1.00 0.00 C ATOM 1061 O THR A 75 -1.050 13.728 6.711 1.00 0.00 O ATOM 1062 CB THR A 75 -2.866 14.355 8.675 1.00 0.00 C ATOM 1063 OG1 THR A 75 -3.334 15.340 7.763 1.00 0.00 O ATOM 1064 CG2 THR A 75 -1.420 14.666 9.072 1.00 0.00 C ATOM 0 H THR A 75 -2.451 12.430 10.017 1.00 0.00 H new ATOM 0 HA THR A 75 -3.916 12.736 7.627 1.00 0.00 H new ATOM 0 HB THR A 75 -3.494 14.359 9.566 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.298 16.222 8.188 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.376 15.647 9.546 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.064 13.909 9.771 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.790 14.664 8.182 1.00 0.00 H new ATOM 1072 N ALA A 76 -2.172 12.017 5.911 1.00 0.00 N ATOM 1073 CA ALA A 76 -1.278 11.924 4.722 1.00 0.00 C ATOM 1074 C ALA A 76 -1.985 12.482 3.484 1.00 0.00 C ATOM 1075 O ALA A 76 -2.002 11.864 2.438 1.00 0.00 O ATOM 1076 CB ALA A 76 -0.998 10.430 4.553 1.00 0.00 C ATOM 0 H ALA A 76 -2.922 11.327 5.944 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.360 12.498 4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.344 10.277 3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.514 10.047 5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.937 9.900 4.393 1.00 0.00 H new ATOM 1082 N GLU A 77 -2.571 13.647 3.600 1.00 0.00 N ATOM 1083 CA GLU A 77 -3.281 14.261 2.437 1.00 0.00 C ATOM 1084 C GLU A 77 -4.040 13.200 1.644 1.00 0.00 C ATOM 1085 O GLU A 77 -3.789 12.985 0.476 1.00 0.00 O ATOM 1086 CB GLU A 77 -2.193 14.922 1.583 1.00 0.00 C ATOM 1087 CG GLU A 77 -1.181 13.874 1.116 1.00 0.00 C ATOM 1088 CD GLU A 77 -0.282 14.479 0.037 1.00 0.00 C ATOM 1089 OE1 GLU A 77 -0.494 15.631 -0.307 1.00 0.00 O ATOM 1090 OE2 GLU A 77 0.604 13.780 -0.429 1.00 0.00 O ATOM 0 H GLU A 77 -2.588 14.202 4.455 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.024 14.990 2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.645 15.412 0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.687 15.696 2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.578 13.534 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.701 13.000 0.723 1.00 0.00 H new ATOM 1097 N LEU A 78 -4.969 12.547 2.288 1.00 0.00 N ATOM 1098 CA LEU A 78 -5.786 11.494 1.618 1.00 0.00 C ATOM 1099 C LEU A 78 -5.961 11.786 0.124 1.00 0.00 C ATOM 1100 O LEU A 78 -6.016 12.926 -0.293 1.00 0.00 O ATOM 1101 CB LEU A 78 -7.124 11.570 2.333 1.00 0.00 C ATOM 1102 CG LEU A 78 -7.427 10.217 2.971 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -6.278 9.822 3.902 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -8.720 10.317 3.775 1.00 0.00 C ATOM 0 H LEU A 78 -5.201 12.702 3.269 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.321 10.510 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.099 12.348 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.912 11.839 1.629 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.538 9.463 2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.495 8.856 4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.353 9.754 3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.167 10.575 4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.940 9.352 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.606 11.071 4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.539 10.600 3.113 1.00 0.00 H new ATOM 1116 N LYS A 79 -6.041 10.764 -0.684 1.00 0.00 N ATOM 1117 CA LYS A 79 -6.203 10.978 -2.150 1.00 0.00 C ATOM 1118 C LYS A 79 -7.086 9.865 -2.731 1.00 0.00 C ATOM 1119 O LYS A 79 -7.728 9.147 -1.990 1.00 0.00 O ATOM 1120 CB LYS A 79 -4.789 10.923 -2.727 1.00 0.00 C ATOM 1121 CG LYS A 79 -3.776 11.541 -1.745 1.00 0.00 C ATOM 1122 CD LYS A 79 -2.330 11.272 -2.205 1.00 0.00 C ATOM 1123 CE LYS A 79 -2.309 10.414 -3.475 1.00 0.00 C ATOM 1124 NZ LYS A 79 -0.919 10.524 -3.997 1.00 0.00 N ATOM 0 H LYS A 79 -6.001 9.788 -0.391 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.684 11.927 -2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.516 9.889 -2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.757 11.459 -3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.944 12.615 -1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.928 11.125 -0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.822 12.218 -2.392 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.780 10.767 -1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.566 9.378 -3.255 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.034 10.774 -4.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.829 9.961 -4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.704 11.520 -4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.251 10.167 -3.284 1.00 0.00 H new ATOM 1138 N PRO A 80 -7.103 9.752 -4.034 1.00 0.00 N ATOM 1139 CA PRO A 80 -7.931 8.716 -4.685 1.00 0.00 C ATOM 1140 C PRO A 80 -7.228 7.355 -4.656 1.00 0.00 C ATOM 1141 O PRO A 80 -7.865 6.323 -4.583 1.00 0.00 O ATOM 1142 CB PRO A 80 -8.077 9.220 -6.116 1.00 0.00 C ATOM 1143 CG PRO A 80 -6.893 10.104 -6.355 1.00 0.00 C ATOM 1144 CD PRO A 80 -6.372 10.562 -5.013 1.00 0.00 C ATOM 0 HA PRO A 80 -8.889 8.567 -4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.096 8.391 -6.823 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.009 9.770 -6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.119 9.564 -6.900 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.175 10.961 -6.967 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.296 10.406 -4.932 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.552 11.626 -4.860 1.00 0.00 H new ATOM 1152 N ASN A 81 -5.924 7.336 -4.724 1.00 0.00 N ATOM 1153 CA ASN A 81 -5.209 6.027 -4.710 1.00 0.00 C ATOM 1154 C ASN A 81 -4.596 5.738 -3.334 1.00 0.00 C ATOM 1155 O ASN A 81 -3.922 4.746 -3.155 1.00 0.00 O ATOM 1156 CB ASN A 81 -4.123 6.141 -5.777 1.00 0.00 C ATOM 1157 CG ASN A 81 -3.219 7.335 -5.478 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -3.509 8.132 -4.610 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -2.124 7.488 -6.170 1.00 0.00 N ATOM 0 H ASN A 81 -5.328 8.161 -4.788 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.891 5.202 -4.914 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.532 5.225 -5.805 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.579 6.257 -6.760 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.508 8.279 -5.982 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.883 6.816 -6.899 1.00 0.00 H new ATOM 1166 N SER A 82 -4.831 6.575 -2.359 1.00 0.00 N ATOM 1167 CA SER A 82 -4.271 6.312 -0.995 1.00 0.00 C ATOM 1168 C SER A 82 -4.857 5.016 -0.435 1.00 0.00 C ATOM 1169 O SER A 82 -6.048 4.790 -0.506 1.00 0.00 O ATOM 1170 CB SER A 82 -4.768 7.476 -0.147 1.00 0.00 C ATOM 1171 OG SER A 82 -4.885 8.636 -0.958 1.00 0.00 O ATOM 0 H SER A 82 -5.384 7.428 -2.444 1.00 0.00 H new ATOM 0 HA SER A 82 -3.185 6.220 -1.007 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.733 7.231 0.297 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.077 7.662 0.675 1.00 0.00 H new ATOM 0 HG SER A 82 -4.033 8.804 -1.413 1.00 0.00 H new ATOM 1177 N ARG A 83 -4.053 4.174 0.149 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.629 2.916 0.718 1.00 0.00 C ATOM 1179 C ARG A 83 -3.759 2.390 1.862 1.00 0.00 C ATOM 1180 O ARG A 83 -2.653 2.837 2.078 1.00 0.00 O ATOM 1181 CB ARG A 83 -4.690 1.864 -0.421 1.00 0.00 C ATOM 1182 CG ARG A 83 -4.426 2.475 -1.813 1.00 0.00 C ATOM 1183 CD ARG A 83 -5.726 2.973 -2.499 1.00 0.00 C ATOM 1184 NE ARG A 83 -6.870 2.288 -1.847 1.00 0.00 N ATOM 1185 CZ ARG A 83 -7.854 2.999 -1.367 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -8.719 3.542 -2.180 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -7.976 3.169 -0.081 1.00 0.00 N ATOM 0 H ARG A 83 -3.046 4.293 0.258 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.624 3.113 1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.956 1.082 -0.227 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.671 1.388 -0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.729 3.307 -1.715 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.946 1.730 -2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.821 4.054 -2.400 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.705 2.751 -3.566 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.887 1.271 -1.775 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.625 3.410 -3.187 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.489 4.098 -1.808 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.301 2.746 0.556 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.747 3.725 0.289 1.00 0.00 H new ATOM 1201 N LEU A 84 -4.259 1.424 2.584 1.00 0.00 N ATOM 1202 CA LEU A 84 -3.474 0.830 3.704 1.00 0.00 C ATOM 1203 C LEU A 84 -2.672 -0.351 3.149 1.00 0.00 C ATOM 1204 O LEU A 84 -3.095 -1.008 2.218 1.00 0.00 O ATOM 1205 CB LEU A 84 -4.521 0.345 4.715 1.00 0.00 C ATOM 1206 CG LEU A 84 -4.463 1.186 5.991 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -5.704 0.880 6.840 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -3.197 0.840 6.772 1.00 0.00 C ATOM 0 H LEU A 84 -5.184 1.018 2.445 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.778 1.530 4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.516 0.409 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.345 -0.704 4.955 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.444 2.247 5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.675 1.474 7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.602 1.128 6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.718 -0.179 7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.155 1.439 7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.209 -0.218 7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.322 1.051 6.158 1.00 0.00 H new ATOM 1220 N SER A 85 -1.517 -0.624 3.684 1.00 0.00 N ATOM 1221 CA SER A 85 -0.717 -1.753 3.142 1.00 0.00 C ATOM 1222 C SER A 85 -1.597 -2.995 2.956 1.00 0.00 C ATOM 1223 O SER A 85 -1.308 -3.856 2.149 1.00 0.00 O ATOM 1224 CB SER A 85 0.357 -2.047 4.169 1.00 0.00 C ATOM 1225 OG SER A 85 0.934 -0.825 4.602 1.00 0.00 O ATOM 0 H SER A 85 -1.096 -0.120 4.465 1.00 0.00 H new ATOM 0 HA SER A 85 -0.292 -1.496 2.172 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.070 -2.582 5.017 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.123 -2.692 3.738 1.00 0.00 H new ATOM 0 HG SER A 85 1.786 -1.006 5.051 1.00 0.00 H new ATOM 1231 N CYS A 86 -2.640 -3.118 3.737 1.00 0.00 N ATOM 1232 CA CYS A 86 -3.505 -4.338 3.650 1.00 0.00 C ATOM 1233 C CYS A 86 -4.800 -4.055 2.881 1.00 0.00 C ATOM 1234 O CYS A 86 -5.864 -4.521 3.238 1.00 0.00 O ATOM 1235 CB CYS A 86 -3.751 -4.753 5.114 1.00 0.00 C ATOM 1236 SG CYS A 86 -2.189 -4.513 6.014 1.00 0.00 S ATOM 0 H CYS A 86 -2.931 -2.429 4.430 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.032 -5.145 3.090 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.545 -4.151 5.556 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.071 -5.794 5.170 1.00 0.00 H new ATOM 0 HG CYS A 86 -2.396 -4.660 7.289 1.00 0.00 H new ATOM 1241 N GLN A 87 -4.712 -3.295 1.813 1.00 0.00 N ATOM 1242 CA GLN A 87 -5.921 -2.980 1.006 1.00 0.00 C ATOM 1243 C GLN A 87 -5.735 -3.324 -0.469 1.00 0.00 C ATOM 1244 O GLN A 87 -6.631 -3.839 -1.108 1.00 0.00 O ATOM 1245 CB GLN A 87 -6.133 -1.478 1.181 1.00 0.00 C ATOM 1246 CG GLN A 87 -6.058 -1.118 2.666 1.00 0.00 C ATOM 1247 CD GLN A 87 -6.901 -2.103 3.464 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -6.638 -2.352 4.620 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -7.910 -2.677 2.879 1.00 0.00 N ATOM 0 H GLN A 87 -3.846 -2.880 1.469 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.777 -3.568 1.339 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.375 -0.926 0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.102 -1.188 0.775 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -5.023 -1.147 3.007 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -6.418 -0.101 2.824 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.125 -2.462 1.905 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.487 -3.342 3.394 1.00 0.00 H new ATOM 1258 N ILE A 88 -4.601 -3.039 -1.023 1.00 0.00 N ATOM 1259 CA ILE A 88 -4.408 -3.354 -2.467 1.00 0.00 C ATOM 1260 C ILE A 88 -4.098 -4.831 -2.645 1.00 0.00 C ATOM 1261 O ILE A 88 -3.460 -5.459 -1.823 1.00 0.00 O ATOM 1262 CB ILE A 88 -3.214 -2.561 -2.957 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -3.305 -1.101 -2.488 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -3.152 -2.629 -4.488 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -4.166 -0.283 -3.457 1.00 0.00 C ATOM 0 H ILE A 88 -3.805 -2.608 -0.553 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.313 -3.105 -3.021 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.304 -2.992 -2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.734 -1.060 -1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.306 -0.669 -2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.293 -2.059 -4.843 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.053 -3.668 -4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.066 -2.208 -4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.221 0.749 -3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.720 -0.310 -4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.170 -0.706 -3.498 1.00 0.00 H new ATOM 1277 N ILE A 89 -4.525 -5.369 -3.732 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.255 -6.794 -4.035 1.00 0.00 C ATOM 1279 C ILE A 89 -3.303 -6.891 -5.226 1.00 0.00 C ATOM 1280 O ILE A 89 -3.281 -6.030 -6.083 1.00 0.00 O ATOM 1281 CB ILE A 89 -5.621 -7.397 -4.363 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.407 -7.631 -3.067 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.427 -8.723 -5.092 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.504 -8.287 -2.017 1.00 0.00 C ATOM 0 H ILE A 89 -5.063 -4.876 -4.445 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.781 -7.322 -3.208 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.178 -6.710 -5.000 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.790 -6.683 -2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.270 -8.267 -3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.400 -9.155 -5.327 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.873 -8.553 -6.015 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.869 -9.410 -4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.071 -8.449 -1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.143 -9.244 -2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.656 -7.635 -1.809 1.00 0.00 H new ATOM 1296 N MET A 90 -2.522 -7.926 -5.292 1.00 0.00 N ATOM 1297 CA MET A 90 -1.578 -8.065 -6.434 1.00 0.00 C ATOM 1298 C MET A 90 -2.019 -9.213 -7.343 1.00 0.00 C ATOM 1299 O MET A 90 -1.962 -10.367 -6.973 1.00 0.00 O ATOM 1300 CB MET A 90 -0.223 -8.368 -5.781 1.00 0.00 C ATOM 1301 CG MET A 90 0.817 -7.284 -6.121 1.00 0.00 C ATOM 1302 SD MET A 90 0.079 -5.629 -6.053 1.00 0.00 S ATOM 1303 CE MET A 90 -0.184 -5.432 -7.836 1.00 0.00 C ATOM 0 H MET A 90 -2.494 -8.682 -4.608 1.00 0.00 H new ATOM 0 HA MET A 90 -1.537 -7.173 -7.059 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.344 -8.432 -4.700 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.137 -9.339 -6.120 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.651 -7.343 -5.421 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.223 -7.464 -7.116 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.751 -4.519 -8.022 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.780 -5.370 -8.341 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.740 -6.288 -8.219 1.00 0.00 H new ATOM 1313 N THR A 91 -2.454 -8.901 -8.534 1.00 0.00 N ATOM 1314 CA THR A 91 -2.888 -9.973 -9.471 1.00 0.00 C ATOM 1315 C THR A 91 -1.773 -10.250 -10.485 1.00 0.00 C ATOM 1316 O THR A 91 -0.799 -9.528 -10.544 1.00 0.00 O ATOM 1317 CB THR A 91 -4.128 -9.411 -10.164 1.00 0.00 C ATOM 1318 OG1 THR A 91 -4.080 -7.991 -10.132 1.00 0.00 O ATOM 1319 CG2 THR A 91 -5.382 -9.894 -9.433 1.00 0.00 C ATOM 0 H THR A 91 -2.527 -7.951 -8.897 1.00 0.00 H new ATOM 0 HA THR A 91 -3.103 -10.915 -8.967 1.00 0.00 H new ATOM 0 HB THR A 91 -4.156 -9.753 -11.199 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.992 -7.633 -10.114 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.268 -9.494 -9.926 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.417 -10.983 -9.452 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.356 -9.550 -8.399 1.00 0.00 H new ATOM 1327 N PRO A 92 -1.950 -11.293 -11.246 1.00 0.00 N ATOM 1328 CA PRO A 92 -0.938 -11.670 -12.259 1.00 0.00 C ATOM 1329 C PRO A 92 -0.975 -10.702 -13.445 1.00 0.00 C ATOM 1330 O PRO A 92 -0.156 -10.769 -14.340 1.00 0.00 O ATOM 1331 CB PRO A 92 -1.353 -13.077 -12.675 1.00 0.00 C ATOM 1332 CG PRO A 92 -2.815 -13.164 -12.368 1.00 0.00 C ATOM 1333 CD PRO A 92 -3.095 -12.206 -11.237 1.00 0.00 C ATOM 0 HA PRO A 92 0.083 -11.632 -11.880 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.163 -13.246 -13.735 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.790 -13.832 -12.126 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.408 -12.906 -13.246 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.088 -14.181 -12.087 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.032 -11.671 -11.391 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.180 -12.729 -10.284 1.00 0.00 H new ATOM 1341 N GLU A 93 -1.913 -9.794 -13.453 1.00 0.00 N ATOM 1342 CA GLU A 93 -1.991 -8.814 -14.576 1.00 0.00 C ATOM 1343 C GLU A 93 -1.609 -7.415 -14.082 1.00 0.00 C ATOM 1344 O GLU A 93 -1.093 -6.603 -14.824 1.00 0.00 O ATOM 1345 CB GLU A 93 -3.450 -8.846 -15.042 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.383 -8.825 -13.829 1.00 0.00 C ATOM 1347 CD GLU A 93 -5.649 -8.039 -14.172 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -6.001 -8.001 -15.340 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -6.246 -7.488 -13.263 1.00 0.00 O ATOM 0 H GLU A 93 -2.627 -9.688 -12.733 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.306 -9.062 -15.387 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.655 -7.990 -15.685 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.632 -9.741 -15.637 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.642 -9.843 -13.539 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.879 -8.369 -12.977 1.00 0.00 H new ATOM 1356 N LEU A 94 -1.858 -7.129 -12.831 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.512 -5.784 -12.281 1.00 0.00 C ATOM 1358 C LEU A 94 -0.174 -5.846 -11.572 1.00 0.00 C ATOM 1359 O LEU A 94 -0.048 -5.512 -10.411 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.618 -5.471 -11.292 1.00 0.00 C ATOM 1361 CG LEU A 94 -3.973 -5.803 -11.917 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -5.071 -5.105 -11.118 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -4.003 -5.325 -13.376 1.00 0.00 C ATOM 0 H LEU A 94 -2.287 -7.771 -12.164 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.431 -5.024 -13.058 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.476 -6.048 -10.378 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.583 -4.418 -11.013 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.135 -6.881 -11.897 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.042 -5.336 -11.556 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.047 -5.453 -10.085 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.909 -4.027 -11.142 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.971 -5.564 -13.817 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.845 -4.247 -13.409 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.214 -5.824 -13.939 1.00 0.00 H new ATOM 1375 N ASP A 95 0.818 -6.297 -12.260 1.00 0.00 N ATOM 1376 CA ASP A 95 2.160 -6.414 -11.624 1.00 0.00 C ATOM 1377 C ASP A 95 3.090 -5.271 -12.021 1.00 0.00 C ATOM 1378 O ASP A 95 3.012 -4.727 -13.105 1.00 0.00 O ATOM 1379 CB ASP A 95 2.750 -7.767 -12.059 1.00 0.00 C ATOM 1380 CG ASP A 95 2.138 -8.247 -13.381 1.00 0.00 C ATOM 1381 OD1 ASP A 95 1.051 -8.801 -13.341 1.00 0.00 O ATOM 1382 OD2 ASP A 95 2.768 -8.053 -14.408 1.00 0.00 O ATOM 0 H ASP A 95 0.768 -6.592 -13.235 1.00 0.00 H new ATOM 0 HA ASP A 95 2.057 -6.356 -10.540 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.831 -7.676 -12.169 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.570 -8.510 -11.282 1.00 0.00 H new ATOM 1387 N GLY A 96 3.966 -4.902 -11.124 1.00 0.00 N ATOM 1388 CA GLY A 96 4.902 -3.780 -11.393 1.00 0.00 C ATOM 1389 C GLY A 96 4.369 -2.568 -10.654 1.00 0.00 C ATOM 1390 O GLY A 96 4.617 -1.436 -11.019 1.00 0.00 O ATOM 0 H GLY A 96 4.071 -5.337 -10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.908 -4.027 -11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.967 -3.581 -12.463 1.00 0.00 H new ATOM 1394 N ILE A 97 3.593 -2.807 -9.639 1.00 0.00 N ATOM 1395 CA ILE A 97 2.968 -1.680 -8.908 1.00 0.00 C ATOM 1396 C ILE A 97 3.922 -0.979 -7.952 1.00 0.00 C ATOM 1397 O ILE A 97 4.408 -1.539 -6.991 1.00 0.00 O ATOM 1398 CB ILE A 97 1.787 -2.296 -8.151 1.00 0.00 C ATOM 1399 CG1 ILE A 97 1.054 -1.199 -7.356 1.00 0.00 C ATOM 1400 CG2 ILE A 97 2.281 -3.403 -7.216 1.00 0.00 C ATOM 1401 CD1 ILE A 97 1.700 -0.983 -5.985 1.00 0.00 C ATOM 0 H ILE A 97 3.365 -3.736 -9.285 1.00 0.00 H new ATOM 0 HA ILE A 97 2.660 -0.901 -9.606 1.00 0.00 H new ATOM 0 HB ILE A 97 1.091 -2.737 -8.864 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.070 -0.266 -7.919 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.008 -1.477 -7.228 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.434 -3.834 -6.683 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.775 -4.179 -7.800 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.987 -2.985 -6.498 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.161 -0.203 -5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.661 -1.911 -5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.739 -0.681 -6.116 1.00 0.00 H new ATOM 1413 N VAL A 98 4.152 0.273 -8.215 1.00 0.00 N ATOM 1414 CA VAL A 98 5.025 1.088 -7.336 1.00 0.00 C ATOM 1415 C VAL A 98 4.202 1.585 -6.147 1.00 0.00 C ATOM 1416 O VAL A 98 3.180 2.220 -6.321 1.00 0.00 O ATOM 1417 CB VAL A 98 5.444 2.272 -8.202 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.594 3.022 -7.525 1.00 0.00 C ATOM 1419 CG2 VAL A 98 5.900 1.768 -9.573 1.00 0.00 C ATOM 0 H VAL A 98 3.765 0.773 -9.015 1.00 0.00 H new ATOM 0 HA VAL A 98 5.881 0.534 -6.951 1.00 0.00 H new ATOM 0 HB VAL A 98 4.596 2.946 -8.327 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.892 3.867 -8.145 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.268 3.384 -6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.442 2.349 -7.397 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.199 2.615 -10.191 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.746 1.092 -9.449 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.080 1.238 -10.057 1.00 0.00 H new ATOM 1429 N VAL A 99 4.623 1.321 -4.944 1.00 0.00 N ATOM 1430 CA VAL A 99 3.832 1.810 -3.776 1.00 0.00 C ATOM 1431 C VAL A 99 4.519 2.990 -3.165 1.00 0.00 C ATOM 1432 O VAL A 99 5.576 3.410 -3.586 1.00 0.00 O ATOM 1433 CB VAL A 99 3.832 0.706 -2.726 1.00 0.00 C ATOM 1434 CG1 VAL A 99 2.603 0.829 -1.827 1.00 0.00 C ATOM 1435 CG2 VAL A 99 3.822 -0.629 -3.400 1.00 0.00 C ATOM 0 H VAL A 99 5.467 0.796 -4.717 1.00 0.00 H new ATOM 0 HA VAL A 99 2.825 2.078 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 99 4.730 0.803 -2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.616 0.034 -1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.614 1.797 -1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.700 0.744 -2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.822 -1.417 -2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.929 -0.718 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.708 -0.727 -4.027 1.00 0.00 H new ATOM 1445 N ASP A 100 3.947 3.493 -2.137 1.00 0.00 N ATOM 1446 CA ASP A 100 4.588 4.616 -1.446 1.00 0.00 C ATOM 1447 C ASP A 100 4.021 4.773 -0.045 1.00 0.00 C ATOM 1448 O ASP A 100 2.840 4.623 0.179 1.00 0.00 O ATOM 1449 CB ASP A 100 4.299 5.859 -2.281 1.00 0.00 C ATOM 1450 CG ASP A 100 5.297 5.949 -3.437 1.00 0.00 C ATOM 1451 OD1 ASP A 100 6.480 6.070 -3.164 1.00 0.00 O ATOM 1452 OD2 ASP A 100 4.862 5.896 -4.576 1.00 0.00 O ATOM 0 H ASP A 100 3.061 3.178 -1.741 1.00 0.00 H new ATOM 0 HA ASP A 100 5.661 4.453 -1.342 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.281 5.819 -2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.368 6.751 -1.658 1.00 0.00 H new ATOM 1457 N VAL A 101 4.842 5.111 0.892 1.00 0.00 N ATOM 1458 CA VAL A 101 4.325 5.320 2.270 1.00 0.00 C ATOM 1459 C VAL A 101 3.977 6.804 2.415 1.00 0.00 C ATOM 1460 O VAL A 101 4.585 7.641 1.778 1.00 0.00 O ATOM 1461 CB VAL A 101 5.459 4.901 3.201 1.00 0.00 C ATOM 1462 CG1 VAL A 101 5.145 5.335 4.631 1.00 0.00 C ATOM 1463 CG2 VAL A 101 5.614 3.375 3.157 1.00 0.00 C ATOM 0 H VAL A 101 5.845 5.253 0.772 1.00 0.00 H new ATOM 0 HA VAL A 101 3.428 4.745 2.501 1.00 0.00 H new ATOM 0 HB VAL A 101 6.384 5.377 2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.959 5.033 5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.033 6.419 4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.218 4.864 4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.424 3.072 3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.685 2.905 3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.844 3.062 2.139 1.00 0.00 H new ATOM 1473 N PRO A 102 2.982 7.085 3.205 1.00 0.00 N ATOM 1474 CA PRO A 102 2.525 8.488 3.372 1.00 0.00 C ATOM 1475 C PRO A 102 3.576 9.373 4.048 1.00 0.00 C ATOM 1476 O PRO A 102 4.046 9.087 5.132 1.00 0.00 O ATOM 1477 CB PRO A 102 1.285 8.359 4.247 1.00 0.00 C ATOM 1478 CG PRO A 102 1.469 7.068 4.966 1.00 0.00 C ATOM 1479 CD PRO A 102 2.195 6.155 4.018 1.00 0.00 C ATOM 0 HA PRO A 102 2.334 8.968 2.412 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.202 9.193 4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.375 8.353 3.647 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.042 7.212 5.882 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.507 6.643 5.255 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.830 5.445 4.548 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.504 5.572 3.410 1.00 0.00 H new